A0A087XQE4_POEFO Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A087XQE4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 224 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	38	Very low	40.4	Very low	238 Å²	238	169.1 Å²	169.1	100%	1.172	88%	0.875	S	S	*	*				0	93.4	0	-69.5	160.6	126.7	0	0	105.6
2	Q	36.6	Very low	40.4	Very low	192 Å²	192	164.3 Å²	164.3	90%	0.897	86%	0.864	S	S	*	*				44.2	122.9	102.8	-73.1	-175.7	-9.7	0	0	110.6
3	S	36.8	Very low	41.3	Very low	123 Å²	123	162.3 Å²	162.3	86%	0.86	86%	0.863	S	S	*	*			cis	-171.5	153.4	29.2	-148.1	0	0	0	0	105.2
4	G	35.7	Very low	41.7	Very low	73 Å²	73	158.9 Å²	158.9	75%	0.753	85%	0.851	S	S	*	*				122.8	92	96.9	0	0	0	0	0	112
5	M	42.3	Very low	42.1	Very low	181 Å²	181	155.9 Å²	155.9	89%	0.892	85%	0.845	S	S	*	*			trans	-42.3	138.7	162.5	-160.2	151.9	63.2	0	0	113.6
6	M	41.1	Very low	42.6	Very low	189 Å²	189	152.6 Å²	152.6	93%	0.931	83%	0.832	S	S	*	*			trans	-147.4	101.5	156.4	-129.4	159.4	67.9	0	0	111.2
7	W	40.8	Very low	42.7	Very low	241 Å²	241	155.6 Å²	155.6	91%	0.913	84%	0.835	S	S	*	*			trans	-102	129.9	164.6	-100.2	13.1	0	0	0	108.6
8	R	45.2	Very low	43	Very low	235 Å²	235	156.2 Å²	156.2	89%	0.887	84%	0.837	S	S	*	*			trans	-154.9	105.1	153.8	-76	-164.9	162.1	-168.6	-6.8	107.1
9	L	41.4	Very low	43	Very low	157 Å²	157	151.8 Å²	151.8	82%	0.822	83%	0.833	S	S	*	*				77.7	110.1	80.7	-74.9	170.9	0	0	0	115.3
10	V	43.6	Very low	42.8	Very low	128 Å²	128	156.6 Å²	156.6	78%	0.776	84%	0.838	S	S	*	*			trans	76	119.1	130.8	-172.4	0	0	0	0	120.5
11	S	42.6	Very low	43.2	Very low	103 Å²	103	157.4 Å²	157.4	72%	0.72	84%	0.837	S	S	*	*				152.4	106.9	112	-152.3	0	0	0	0	111.2
12	C	40.4	Very low	43.6	Very low	111 Å²	111	154.4 Å²	154.4	75%	0.75	82%	0.824	S	S	*	*				57.5	99.9	101.5	-109	0	0	0	0	116.4
13	V	52.8	Low	43.9	Very low	139 Å²	139	148.5 Å²	148.5	84%	0.842	82%	0.815	S	S	*	*			trans	-140.7	118.4	140.5	-179.6	0	0	0	0	108.8
14	V	46.7	Very low	44.6	Very low	115 Å²	115	147.9 Å²	147.9	70%	0.697	81%	0.811	S	S	*	*			trans	-89.9	127.1	171.4	168.8	0	0	0	0	107.8	V16	V14-V16 HydrophobicContact CG1-CG2 4.05Å
15	C	48.4	Very low	45.1	Very low	113 Å²	113	150.6 Å²	150.6	76%	0.764	81%	0.812	S	S	*	*			trans	-131.8	104.1	157.8	-77.3	0	0	0	0	109.3
16	V	50	Low	45.4	Very low	104 Å²	104	153.5 Å²	153.5	63%	0.63	81%	0.814	S	S	*	*			trans	-68.9	127.5	168.2	171.6	0	0	0	0	108.9	V14 L18	V14-V16 HydrophobicContact CG1-CG2 4.05Å; V16-L18 HydrophobicContact CG1-CD1 4.46Å
17	F	44.6	Very low	45.7	Very low	203 Å²	203	148.7 Å²	148.7	89%	0.89	80%	0.804	S	S	*	*			trans	-136.6	103.9	152.6	-88.6	-77.6	0	0	0	109.5
18	L	47.4	Very low	45.8	Very low	167 Å²	167	140.4 Å²	140.4	87%	0.874	79%	0.793	S	S	*	*			trans	-69	132.7	159.2	-82.3	147.5	0	0	0	108.6	V16	V16-L18 HydrophobicContact CG1-CD1 4.46Å
19	G	42	Very low	45.7	Very low	73 Å²	73	134 Å²	134	75%	0.753	79%	0.791	S	S	*	*			trans	-164.2	85.5	175.8	0	0	0	0	0	112.2
20	W	39.6	Very low	45.8	Very low	247 Å²	247	131.1 Å²	131.1	94%	0.936	79%	0.79	S	S	*	*			trans	24.8	123.4	154.6	-72.3	-15.5	0	0	0	122.7
21	Q	51.2	Low	45.5	Very low	174 Å²	174	128.4 Å²	128.4	81%	0.813	79%	0.787	S	S	*	*				33.8	110.1	129.5	-66.9	-171	-7	0	0	118
22	L	46.8	Very low	45.3	Very low	174 Å²	174	128 Å²	128	91%	0.911	79%	0.79	S	S	*	*				-132.4	116	127	-80	172.1	0	0	0	107.4	S24	L22-S24 PolarHBondContact O-N 2.82Å
23	G	43.8	Very low	45.6	Very low	68 Å²	68	126.8 Å²	126.8	70%	0.701	79%	0.788	S	S	*	*			trans	-59.2	123.9	176.4	0	0	0	0	0	109.8	V25	G23-V25 PolarHBondContact O-N 3.29Å
24	S	50.2	Low	45.4	Very low	111 Å²	111	128.2 Å²	128.2	78%	0.776	79%	0.786	S	S	*	*			trans	-67.6	83.6	163.2	-2.4	0	0	0	0	107.2	L22 W26	L22-S24 PolarHBondContact O-N 2.82Å; S24-W26 VanDerWaalsContact C-N 3.29Å; S24-W26 PolarHBondContact O-N 2.93Å
25	V	46.7	Very low	45.4	Very low	129 Å²	129	126.4 Å²	126.4	78%	0.782	78%	0.776	S	S	*	*			trans	-57.9	102.9	159.7	179.4	0	0	0	0	104.6	G23 A27	G23-V25 PolarHBondContact O-N 3.29Å; V25-A27 PolarHBondContact O-N 2.89Å
26	W	49	Very low	45.6	Very low	243 Å²	243	128.8 Å²	128.8	92%	0.92	78%	0.776	S	S	*	*			trans	-57.6	96.9	159.2	-92.8	58.8	0	0	0	105.6	S24 G28	S24-W26 VanDerWaalsContact C-N 3.29Å; S24-W26 PolarHBondContact O-N 2.93Å; W26-G28 VanDerWaalsContact C-N 3.27Å; W26-G28 PolarHBondContact O-N 2.83Å
27	A	46.9	Very low	46.3	Very low	88 Å²	88	129.1 Å²	129.1	73%	0.727	77%	0.774	S	S	*	*			trans	-59.5	101.1	164.5	0	0	0	0	0	105.3	V25 A29	V25-A27 PolarHBondContact O-N 2.89Å; A27-A29 PolarHBondContact O-N 3.09Å; A27-A29 VanDerWaalsContact O-N 3.09Å
28	G	42.6	Very low	48.4	Very low	67 Å²	67	125.8 Å²	125.8	69%	0.691	76%	0.762	S	S	*	*			trans	-51.4	120.6	166	0	0	0	0	0	106.5	W26 A30	W26-G28 VanDerWaalsContact C-N 3.27Å; W26-G28 PolarHBondContact O-N 2.83Å; G28-A30 VanDerWaalsContact C-N 3.25Å; G28-A30 PolarHBondContact O-N 2.91Å
29	A	43.5	Very low	50.7	Low	101 Å²	101	118.9 Å²	118.9	84%	0.835	73%	0.727	S	S	*	*			trans	-56.3	101.9	164.9	0	0	0	0	0	105.7	A27 G31	A27-A29 PolarHBondContact O-N 3.09Å; A27-A29 VanDerWaalsContact O-N 3.09Å; A29-G31 VanDerWaalsContact C-N 3.28Å; A29-G31 PolarHBondContact O-N 2.81Å
30	A	43.7	Very low	53.3	Low	96 Å²	96	121.8 Å²	121.8	79%	0.793	72%	0.72	S	S	*	*			trans	-57.2	105.6	161.1	0	0	0	0	0	104.3	G28 A32	G28-A30 VanDerWaalsContact C-N 3.25Å; G28-A30 PolarHBondContact O-N 2.91Å; A30-A32 PolarHBondContact O-N 2.95Å
31	G	36.6	Very low	56.1	Low	70 Å²	70	113.6 Å²	113.6	72%	0.722	69%	0.694	S	S	*	*			trans	-51	114.1	169.3	0	0	0	0	0	106.1	A29 A33	A29-G31 VanDerWaalsContact C-N 3.28Å; A29-G31 PolarHBondContact O-N 2.81Å; G31-A33 PolarHBondContact O-N 2.95Å
32	A	39.6	Very low	58.3	Low	95 Å²	95	110.7 Å²	110.7	79%	0.785	68%	0.68	S	S	*	*			trans	-54.4	112.7	166.2	0	0	0	0	0	105.1	A30 E34	A30-A32 PolarHBondContact O-N 2.95Å; A32-E34 PolarHBondContact O-N 3.05Å
33	A	46.4	Very low	60.7	Low	86 Å²	86	105.3 Å²	105.3	71%	0.711	66%	0.655	S	S	*	*			trans	-56.2	117.6	171	0	0	0	0	0	106.2	G31	G31-A33 PolarHBondContact O-N 2.95Å
34	E	47.9	Very low	63.3	Low	169 Å²	169	106.3 Å²	106.3	79%	0.79	64%	0.644	S	S	*	*			trans	-51.7	148.7	172.1	-68.2	-110.3	128.6	0	0	109.1	A32 Q36	A32-E34 PolarHBondContact O-N 3.05Å; E34-Q36 PolarHBondContact O-N 3.4Å
35	P	47.1	Very low	65.6	Low	77 Å²	77	106.1 Å²	106.1	50%	0.5	63%	0.629	S	S	.	*			trans	-58.6	115.4	-174.9	-12.9	25.4	0	0	0	109.2	D37	P35-D37 PolarHBondContact O-N 2.86Å
36	Q	51.5	Low	67.9	Low	162 Å²	162	106.9 Å²	106.9	76%	0.757	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	3.9	179	-68.8	-175.7	-19	0	0	113.1	E34 P118	E34-Q36 PolarHBondContact O-N 3.4Å; Q36-P118 WeakPolarHBondContact O-CB 3.28Å; Q36-P118 WeakPolarHBondContact O-CG 3.48Å
37	D	66.1	Low	70.1	Confident	111 Å²	111	96.5 Å²	96.5	59%	0.594	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	1.3	-175.1	-61.7	-30	0	0	0	113.6	P35 L121	P35-D37 PolarHBondContact O-N 2.86Å; D37-L121 WeakPolarHBondContact O-CD1 3.34Å
38	Q	88.2	Confident	72.2	Confident	133 Å²	133	102.1 Å²	102.1	62%	0.621	59%	0.593	S	S	*	*	S	Bend	trans	-101.8	142.9	-179.1	-63.3	-172.2	20.5	0	0	112.2	Q40	Q38-Q40 PolarHBondContact O-N 2.97Å
39	V	94.8	Very high	74.6	Confident	23 Å²	23	107.3 Å²	107.3	14%	0.139	60%	0.6	C	S	.	*	P	Polyproline II helix	trans	-69.2	125.7	171.8	-177.9	0	0	0	0	108.7	I41 V102 V115 T116 V117 L121	V39-I41 HydrophobicContact CG1-CG1 4.01Å; V39-V102 HydrophobicContact CB-CG1 4.4Å; V39-V102 HydrophobicContact CG2-CB 4.27Å; V39-V102 HydrophobicContact CG2-CG1 4.26Å; V39-V115 HydrophobicContact CG1-CG1 3.28Å; V39-T116 WeakPolarHBondContact CA-O 3.22Å; V39-V117 HydrophobicContact CG1-CG2 4.35Å; V39-L121 HydrophobicContact CG2-CD1 3.6Å
40	Q	97.4	Very high	76.9	Confident	133 Å²	133	105 Å²	105	62%	0.621	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.1	124.3	173.7	-54.3	177.1	16.4	0	0	109.2	Q38 V115 T116	Q38-Q40 PolarHBondContact O-N 2.97Å; Q40-V115 CarbonylContact O-C 3.59Å; Q40-V115 WeakPolarHBondContact O-CA 3.4Å; Q40-T116 PolarHBondContact N-O 2.96Å; Q40-T116 PolarHBondContact O-N 3.44Å
41	I	97.8	Very high	79	Confident	76 Å²	76	106.9 Å²	106.9	39%	0.39	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.1	121.1	-175.8	-56.8	171.6	0	0	0	108.9	V39 R113	V39-I41 HydrophobicContact CG1-CG1 4.01Å; I41-R113 HydrophobicContact CG2-CG 4.41Å
42	Q	98	Very high	81.6	Confident	112 Å²	112	107 Å²	107	52%	0.523	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.5	119.3	172.5	-179	179.9	34.6	0	0	109.2	L44 R113 K114	Q42-L44 HydrophobicContact CG-CD2 4.24Å; Q42-L44 PolarHBondContact O-N 2.78Å; Q42-R113 CarbonylContact O-C 3.59Å; Q42-R113 VanDerWaalsContact O-CA 3.24Å; Q42-R113 WeakPolarHBondContact O-CA 3.28Å; Q42-K114 HydrophobicContact CB-CB 4.26Å; Q42-K114 PolarHBondContact N-O 2.96Å; Q42-K114 PolarHBondContact O-N 3.27Å
43	V	97.8	Very high	84.3	Confident	62 Å²	62	108.1 Å²	108.1	38%	0.376	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.3	174.8	-176.1	0	0	0	0	108.8	R46 E111 R113	V43-R46 HydrophobicContact CG1-CB 4.21Å; V43-E111 HydrophobicContact CG1-CG 4.44Å; V43-R113 HydrophobicContact CG2-CG 4.29Å
44	L	97.6	Very high	86.7	Confident	89 Å²	89	104.1 Å²	104.1	47%	0.466	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-37.4	179.6	-60.1	-179.4	0	0	0	111.4	Q42 K112 K114	Q42-L44 HydrophobicContact CG-CD2 4.24Å; Q42-L44 PolarHBondContact O-N 2.78Å; L44-K112 HydrophobicContact CB-CB 4.18Å; L44-K112 PolarHBondContact N-O 2.75Å; L44-K114 HydrophobicContact CD1-CB 4.1Å; L44-K114 HydrophobicContact CD2-CB 4.13Å; L44-K114 HydrophobicContact CG-CB 4.16Å
45	F	97.8	Very high	88.8	Confident	107 Å²	107	100.1 Å²	100.1	47%	0.469	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	137.8	179.4	172	-99	0	0	0	109.4	G110 E111 K112	F45-G110 WeakPolarHBondContact CD1-O 3.03Å; F45-G110 WeakPolarHBondContact CE1-O 3.48Å; F45-E111 WeakPolarHBondContact O-CA 2.96Å; F45-E111 WeakPolarHBondContact O-CG 3.41Å; F45-K112 HydrophobicContact CB-CB 4.05Å; F45-K112 HydrophobicContact CB-CD 4.31Å; F45-K112 HydrophobicContact CB-CG 4.17Å; F45-K112 HydrophobicContact CD1-CG 4.35Å; F45-K112 PolarHBondContact N-O 3.43Å; F45-K112 PolarHBondContact O-N 2.84Å
46	R	95.6	Very high	90.9	Very high	144 Å²	144	100.8 Å²	100.8	54%	0.543	49%	0.491	S	S	.	.			trans	-129.5	130	173.6	-178.9	176.8	-73.2	150.5	0.2	108.9	V43 E111	V43-R46 HydrophobicContact CG1-CB 4.21Å; R46-E111 HydrophobicContact CB-CG 4.44Å; R46-E111 IonicContact NE-OE1 3.88Å; R46-E111 IonicContact NE-OE2 3.85Å; R46-E111 IonicContact NH2-OE1 3.69Å
47	P	95	Very high	92.7	Very high	26 Å²	26	93.6 Å²	93.6	17%	0.169	46%	0.461	C	S	.	.			trans	-64.8	149.7	174.1	30.4	-37.8	0	0	0	110.9	E49 C108 A109	P47-E49 VanDerWaalsContact C-N 3.33Å; P47-C108 HydrophobicContact CG-CB 3.81Å; P47-A109 WeakPolarHBondContact CG-O 3.2Å
48	E	92	Very high	94	Very high	205 Å²	205	88.6 Å²	88.6	96%	0.958	43%	0.434	S	S	*	.	S	Bend	trans	-65.5	-39.1	177	-66.2	-174.8	170.9	0	0	111.7
49	E	92	Very high	94.2	Very high	177 Å²	177	84.5 Å²	84.5	83%	0.827	42%	0.416	S	S	*	.			trans	-96.9	129.2	175.9	-64.7	-175.6	-177	0	0	110.8	P47	P47-E49 VanDerWaalsContact C-N 3.33Å
50	C	92.5	Very high	94.3	Very high	52 Å²	52	83.4 Å²	83.4	35%	0.351	41%	0.409	S	S	.	.			trans	-138.2	92.8	174.6	-177.9	0	0	0	0	109.8	C108	C50-C108 HydrophobicContact CB-CB 3.73Å; C50-C108 WeakPolarHBondContact CB-SG 3.24Å; C50-C108 WeakPolarHBondContact SG-CB 3.38Å; C50-C108 CovalentContact SG-SG 2.02Å; C50-C108 PolarHBondContact SG-SG 2.91Å
51	S	87.9	Confident	94.2	Very high	135 Å²	135	77.7 Å²	77.7	94%	0.944	38%	0.383	S	S	*	.	S	Bend	trans	-75.7	-32.3	-179.8	56.4	0	0	0	0	112.9
52	R	91.4	Very high	94.2	Very high	72 Å²	72	74 Å²	74	27%	0.272	36%	0.364	S	S	.	.			trans	-138.9	135.4	178.3	-175.1	-175.3	-175.1	102.1	3.7	110.1	D58 V146	R52-D58 IonicContact CZ-OD1 3.68Å; R52-D58 IonicContact CZ-OD2 2.65Å; R52-D58 IonicContact NE-OD1 3.85Å; R52-D58 IonicContact NE-OD2 3.14Å; R52-D58 PolarHBondContact NE-OD2 2.97Å; R52-D58 IonicContact NH2-OD1 3.01Å; R52-D58 PolarHBondContact NH2-OD1 2.84Å; R52-D58 IonicContact NH2-OD2 2.71Å; R52-D58 PolarHBondContact NH2-OD2 3.17Å; R52-V146 HydrophobicContact CG-CG1 4.15Å
53	K	95.7	Very high	94.2	Very high	120 Å²	120	69.3 Å²	69.3	52%	0.522	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-99.7	143	167.6	-68.8	-176.1	179.6	-178.4	0	110.2	D106 M107	K53-D106 HydrophobicContact CD-CB 4.46Å; K53-M107 CarbonylContact C-O 3.6Å; K53-M107 WeakPolarHBondContact CA-O 3.16Å
54	S	95.8	Very high	94	Very high	1 Å²	1	68 Å²	68	1%	0.007	33%	0.331	C	S	.	.			trans	-63.7	134	173.9	52.8	0	0	0	0	111.4	I60 M104 D106 M107	S54-I60 VanDerWaalsContact CB-CD1 3.44Å; S54-M104 PolarHBondContact OG-O 3.04Å; S54-D106 WeakPolarHBondContact O-CA 3.44Å; S54-D106 PolarHBondContact O-N 3.44Å; S54-D106 PolarHBondContact OG-N 2.99Å; S54-M107 PolarHBondContact N-O 2.88Å; S54-M107 PolarHBondContact OG-N 3.13Å; S54-M107 PolarHBondContact OG-O 2.94Å
55	K	93.8	Very high	93.9	Very high	86 Å²	86	64.8 Å²	64.8	37%	0.374	31%	0.314	S	S	.	.			trans	-128.9	167.3	169.2	66.2	176.9	-168.6	164.7	0	111.2	G57 D58 E223	K55-G57 PolarHBondContact O-N 2.02Å; K55-D58 PolarHBondContact N-OD2 2.76Å; K55-D58 VanDerWaalsContact O-CB 3.28Å; K55-D58 WeakPolarHBondContact O-CB 3.46Å; K55-D58 PolarHBondContact O-N 3Å; K55-E223 IonicContact NZ-OE1 2.74Å; K55-E223 PolarHBondContact NZ-OE1 3.17Å; K55-E223 IonicContact NZ-OE2 3.12Å
56	K	90.8	Very high	93.9	Very high	90 Å²	90	59.7 Å²	59.7	39%	0.391	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	131.8	173.7	-176.1	-179	175.3	-167.7	0	110.2	D58 M105 D222	K56-D58 VanDerWaalsContact C-N 3.34Å; K56-M105 HydrophobicContact CB-CE 3.93Å; K56-D222 IonicContact NZ-OD2 2.68Å
57	G	88.9	Confident	94	Very high	11 Å²	11	54.9 Å²	54.9	11%	0.113	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-7.4	-177.7	0	0	0	0	0	114.7	K55 L91 G149	K55-G57 PolarHBondContact O-N 2.02Å; G57-L91 PolarHBondContact N-O 3.25Å; G57-G149 WeakPolarHBondContact O-CA 3.24Å; G57-G149 PolarHBondContact O-N 3.04Å
58	D	92.6	Very high	94.2	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.032	27%	0.271	C	S	.	.			trans	-70.4	147.6	172.5	-79.9	-3.6	0	0	0	111.7	R52 K55 K56 I60 V90 L91 V146 S147	R52-D58 IonicContact CZ-OD1 3.68Å; R52-D58 IonicContact CZ-OD2 2.65Å; R52-D58 IonicContact NE-OD1 3.85Å; R52-D58 IonicContact NE-OD2 3.14Å; R52-D58 PolarHBondContact NE-OD2 2.97Å; R52-D58 IonicContact NH2-OD1 3.01Å; R52-D58 PolarHBondContact NH2-OD1 2.84Å; R52-D58 IonicContact NH2-OD2 2.71Å; R52-D58 PolarHBondContact NH2-OD2 3.17Å; K55-D58 PolarHBondContact N-OD2 2.76Å; K55-D58 VanDerWaalsContact O-CB 3.28Å; K55-D58 WeakPolarHBondContact O-CB 3.46Å; K55-D58 PolarHBondContact O-N 3Å; K56-D58 VanDerWaalsContact C-N 3.34Å; D58-I60 HydrophobicContact CB-CG1 4.49Å; D58-V90 CarbonylContact O-C 3.4Å; D58-V90 WeakPolarHBondContact O-CA 3.42Å; D58-L91 PolarHBondContact O-N 2.85Å; D58-V146 HydrophobicContact CB-CG1 4.21Å; D58-V146 WeakPolarHBondContact OD2-CG1 3.37Å; D58-S147 WeakPolarHBondContact CA-O 3.33Å; D58-S147 WeakPolarHBondContact CB-O 3.48Å
59	L	92.8	Very high	94.4	Very high	47 Å²	47	49.7 Å²	49.7	25%	0.246	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	123	169.6	177.4	67.1	0	0	0	108.2	W88 V90 S147	L59-W88 HydrophobicContact CD1-CB 4.4Å; L59-W88 HydrophobicContact CD1-CE3 3.94Å; L59-W88 HydrophobicContact CD2-CE3 3.9Å; L59-W88 HydrophobicContact CD2-CZ3 4.03Å; L59-W88 HydrophobicContact CG-CE3 3.6Å; L59-W88 HydrophobicContact CG-CZ3 3.89Å; L59-V90 HydrophobicContact CD1-CG2 4.39Å; L59-S147 PolarHBondContact N-O 2.87Å; L59-S147 PolarHBondContact O-N 2.9Å; L59-S147 PolarHBondContact O-OG 2.93Å
60	I	96.3	Very high	94.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.7	-176.9	-58.2	-171.6	0	0	0	109.6	S54 D58 A62 W88 F89 L91 V143 S145	S54-I60 VanDerWaalsContact CB-CD1 3.44Å; D58-I60 HydrophobicContact CB-CG1 4.49Å; I60-A62 HydrophobicContact CG2-CB 4.22Å; I60-W88 VanDerWaalsContact O-CA 3.31Å; I60-W88 WeakPolarHBondContact O-CA 3.48Å; I60-F89 HydrophobicContact CB-CE2 4.26Å; I60-F89 HydrophobicContact CB-CZ 4.3Å; I60-F89 HydrophobicContact CG2-CZ 4.23Å; I60-F89 PolarHBondContact N-O 2.81Å; I60-F89 PolarHBondContact O-N 2.8Å; I60-L91 HydrophobicContact CD1-CB 3.59Å; I60-L91 HydrophobicContact CD1-CD1 4.18Å; I60-L91 HydrophobicContact CD1-CD2 3.52Å; I60-L91 HydrophobicContact CD1-CG 3.94Å; I60-L91 HydrophobicContact CG1-CB 4.15Å; I60-V143 HydrophobicContact CG2-CG1 3.86Å; I60-V143 HydrophobicContact CG2-CG2 4.08Å; I60-S145 WeakPolarHBondContact CA-O 3.44Å
61	N	96.3	Very high	94.7	Very high	13 Å²	13	53.3 Å²	53.3	7%	0.07	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.5	164.3	-168.3	-123.3	0	0	0	109.2	P86 Q87 W88 L144 S145	N61-P86 PolarHBondContact ND2-O 2.84Å; N61-P86 VanDerWaalsContact OD1-CB 3.28Å; N61-P86 WeakPolarHBondContact OD1-CB 3.19Å; N61-P86 WeakPolarHBondContact OD1-CG 3.49Å; N61-Q87 WeakPolarHBondContact CA-O 3.35Å; N61-Q87 PolarHBondContact ND2-O 2.95Å; N61-W88 HydrophobicContact CB-CD2 3.68Å; N61-W88 HydrophobicContact CB-CE3 3.58Å; N61-W88 HydrophobicContact CB-CG 4.49Å; N61-W88 HydrophobicContact CB-CH2 3.59Å; N61-W88 HydrophobicContact CB-CZ2 3.63Å; N61-W88 HydrophobicContact CB-CZ3 3.56Å; N61-W88 VanDerWaalsContact ND2-CD1 3.35Å; N61-W88 VanDerWaalsContact ND2-CE2 3.31Å; N61-W88 PolarHBondContact ND2-NE1 2.82Å; N61-W88 VanDerWaalsContact ND2-NE1 3.2Å; N61-L144 PolarHBondContact O-N 3.18Å; N61-S145 PolarHBondContact N-O 3.43Å; N61-S145 PolarHBondContact O-N 3.17Å
62	A	97.3	Very high	95.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	151.2	-178.1	0	0	0	0	0	112.8	I60 Q87 F89 E142 V143	I60-A62 HydrophobicContact CG2-CB 4.22Å; A62-Q87 PolarHBondContact N-O 3.37Å; A62-Q87 PolarHBondContact O-N 3.36Å; A62-F89 HydrophobicContact CB-CE1 4.13Å; A62-F89 HydrophobicContact CB-CZ 4.26Å; A62-E142 CarbonylContact C-O 3.57Å; A62-E142 WeakPolarHBondContact CA-O 3.31Å; A62-E142 WeakPolarHBondContact CB-O 3.45Å; A62-V143 HydrophobicContact CB-CG2 4.31Å
63	H	97.3	Very high	95.4	Very high	12 Å²	12	48 Å²	48	6%	0.056	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	142.5	155.9	-79.5	-64	0	0	0	109.3	S78 R79 G84 P86 V141 E142	H63-S78 WeakPolarHBondContact CA-OG 3.2Å; H63-S78 WeakPolarHBondContact CB-OG 3.42Å; H63-S78 PolarHBondContact ND1-OG 2.88Å; H63-R79 PolarHBondContact CD2-NH1 3.07Å; H63-R79 VanDerWaalsContact CD2-NH1 3.28Å; H63-G84 PolarHBondContact CE1-O 2.9Å; H63-P86 VanDerWaalsContact CE1-N 3.35Å; H63-V141 CarbonylContact O-C 3.51Å; H63-V141 WeakPolarHBondContact O-CA 3.23Å; H63-E142 HydrophobicContact CB-CB 4.43Å; H63-E142 PolarHBondContact N-O 2.85Å; H63-E142 PolarHBondContact O-N 2.87Å
64	Y	95.1	Very high	95.4	Very high	36 Å²	36	47.1 Å²	47.1	14%	0.141	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	134.1	170	58.8	-90.3	0	0	0	110.7	Y76 S78 Q87 F89 L100 F139 E140	Y64-Y76 AromaticContact CD2-CD1 3.91Å; Y64-Y76 HydrophobicContact CD2-CD1 3.91Å; Y64-Y76 AromaticContact CD2-CE1 3.67Å; Y64-Y76 HydrophobicContact CD2-CE1 3.67Å; Y64-Y76 AromaticContact CE2-CD1 3.73Å; Y64-Y76 HydrophobicContact CE2-CD1 3.73Å; Y64-Y76 AromaticContact CE2-CE1 3.22Å; Y64-Y76 HydrophobicContact CE2-CE1 3.22Å; Y64-Y76 AromaticContact CZ-CE1 3.9Å; Y64-Y76 WeakPolarHBondContact O-CE1 2.93Å; Y64-S78 PolarHBondContact N-OG 3.31Å; Y64-S78 VanDerWaalsContact N-OG 3.08Å; Y64-S78 VanDerWaalsContact O-CB 3.28Å; Y64-S78 WeakPolarHBondContact O-CB 3.49Å; Y64-S78 PolarHBondContact O-N 2.65Å; Y64-S78 PolarHBondContact O-OG 2.76Å; Y64-Q87 HydrophobicContact CE1-CB 4.15Å; Y64-F89 HydrophobicContact CE1-CE1 4.41Å; Y64-L100 HydrophobicContact CD2-CD1 4.32Å; Y64-F139 HydrophobicContact CD2-CD1 4.15Å; Y64-F139 HydrophobicContact CD2-CE1 4.1Å; Y64-E140 VanDerWaalsContact CA-O 3.26Å; Y64-E140 WeakPolarHBondContact CA-O 3.41Å
65	D	95.8	Very high	95.4	Very high	20 Å²	20	48.9 Å²	48.9	11%	0.107	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.8	-177.2	-58.5	-24.7	0	0	0	107.9	F67 Y76 C77 S78 R79 F139 E140	D65-F67 HydrophobicContact CB-CE2 3.91Å; D65-F67 HydrophobicContact CB-CZ 4.22Å; D65-F67 WeakPolarHBondContact O-CE2 3.43Å; D65-Y76 CarbonylContact C-O 3.57Å; D65-Y76 WeakPolarHBondContact CA-O 3.35Å; D65-C77 WeakPolarHBondContact OD1-CA 3.42Å; D65-S78 PolarHBondContact OD1-N 3.41Å; D65-S78 PolarHBondContact OD1-OG 2.86Å; D65-R79 IonicContact OD2-NE 2.76Å; D65-F139 CarbonylContact O-C 3.44Å; D65-F139 VanDerWaalsContact O-CA 3.28Å; D65-F139 WeakPolarHBondContact O-CA 3.41Å; D65-E140 PolarHBondContact N-O 2.82Å; D65-E140 PolarHBondContact O-N 2.68Å
66	G	97.1	Very high	95.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.2	-168.3	0	0	0	0	0	112.6	Q74 F75 Y76	G66-Q74 WeakPolarHBondContact O-CA 3.15Å; G66-Q74 WeakPolarHBondContact O-CG 3.4Å; G66-F75 WeakPolarHBondContact O-CD1 3.49Å; G66-F75 PolarHBondContact O-N 2.86Å; G66-Y76 PolarHBondContact N-O 3.19Å; G66-Y76 PolarHBondContact O-N 3.33Å
67	F	98.1	Very high	95.5	Very high	44 Å²	44	43.4 Å²	43.4	19%	0.193	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147	-176.4	-53.5	-96.2	0	0	0	111	D65 S73 Q74 F75 V137 V138 E140	D65-F67 HydrophobicContact CB-CE2 3.91Å; D65-F67 HydrophobicContact CB-CZ 4.22Å; D65-F67 WeakPolarHBondContact O-CE2 3.43Å; F67-S73 CarbonylContact C-O 3.51Å; F67-S73 VanDerWaalsContact CA-O 3.26Å; F67-S73 WeakPolarHBondContact CA-O 3.38Å; F67-Q74 HydrophobicContact CD1-CB 3.6Å; F67-Q74 HydrophobicContact CD1-CG 3.83Å; F67-Q74 HydrophobicContact CE1-CB 3.57Å; F67-Q74 HydrophobicContact CE1-CG 3.52Å; F67-Q74 HydrophobicContact CZ-CG 4.01Å; F67-F75 VanDerWaalsContact C-CE1 3.45Å; F67-F75 VanDerWaalsContact N-CE1 3.26Å; F67-F75 WeakPolarHBondContact O-CE1 3.45Å; F67-V137 CarbonylContact O-C 3.57Å; F67-V137 WeakPolarHBondContact O-CA 3.45Å; F67-V138 PolarHBondContact N-O 3.41Å; F67-V138 PolarHBondContact O-N 2.74Å; F67-E140 HydrophobicContact CE2-CG 4.25Å
68	L	98.1	Very high	95.6	Very high	17 Å²	17	42.9 Å²	42.9	9%	0.089	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.2	169	-63	-174.5	0	0	0	109.1	K70 D71 G72 S73 F75 V131 P132 A135 V137	L68-K70 VanDerWaalsContact C-N 3.27Å; L68-K70 PolarHBondContact O-N 2.65Å; L68-D71 WeakPolarHBondContact CB-OD1 3.28Å; L68-G72 WeakPolarHBondContact O-CA 3.37Å; L68-G72 PolarHBondContact O-N 2.92Å; L68-S73 WeakPolarHBondContact CD1-OG 3.2Å; L68-S73 PolarHBondContact N-O 2.98Å; L68-F75 HydrophobicContact CD2-CD1 3.89Å; L68-F75 HydrophobicContact CD2-CE1 4.33Å; L68-F75 HydrophobicContact CG-CD1 4.19Å; L68-V131 HydrophobicContact CD2-CB 4.39Å; L68-V131 HydrophobicContact CD2-CG1 3.94Å; L68-V131 HydrophobicContact CD2-CG2 4.29Å; L68-P132 HydrophobicContact CD1-CG 4.38Å; L68-A135 HydrophobicContact CD2-CB 4.39Å; L68-V137 HydrophobicContact CD2-CG1 4.18Å
69	E	97.4	Very high	95.3	Very high	105 Å²	105	47.9 Å²	47.9	49%	0.491	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-37.6	179.9	-171.2	-150.3	-128	0	0	111.6	D71 T136 V138	E69-D71 PolarHBondContact O-N 2.75Å; E69-T136 HydrophobicContact CB-CG2 3.89Å; E69-T136 WeakPolarHBondContact CB-O 3.22Å; E69-T136 HydrophobicContact CG-CG2 4.15Å; E69-T136 PolarHBondContact N-O 3.12Å; E69-T136 VanDerWaalsContact N-O 3.07Å; E69-V138 HydrophobicContact CB-CG2 3.99Å; E69-V138 HydrophobicContact CG-CG2 4.08Å
70	K	95.4	Very high	95.1	Very high	198 Å²	198	49.4 Å²	49.4	86%	0.861	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-42.1	-173.2	-178.6	-177	176.3	-174.5	0	114	L68	L68-K70 VanDerWaalsContact C-N 3.27Å; L68-K70 PolarHBondContact O-N 2.65Å
71	D	95.3	Very high	94.7	Very high	106 Å²	106	53.6 Å²	53.6	57%	0.567	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	-2.6	-172.3	62	11.3	0	0	0	113.7	L68 E69 S73	L68-D71 WeakPolarHBondContact CB-OD1 3.28Å; E69-D71 PolarHBondContact O-N 2.75Å; D71-S73 PolarHBondContact O-N 3.21Å; D71-S73 VanDerWaalsContact OD1-CB 3.23Å; D71-S73 WeakPolarHBondContact OD1-CB 3.48Å; D71-S73 PolarHBondContact OD1-N 3.21Å; D71-S73 PolarHBondContact OD1-OG 3.32Å; D71-S73 PolarHBondContact OD2-OG 3.21Å
72	G	96.3	Very high	94	Very high	48 Å²	48	57.3 Å²	57.3	50%	0.495	29%	0.291	S	S	.	.			trans	71.7	7.9	-177.9	0	0	0	0	0	113.9	L68 Q74	L68-G72 WeakPolarHBondContact O-CA 3.37Å; L68-G72 PolarHBondContact O-N 2.92Å; G72-Q74 PolarHBondContact O-N 2.94Å
73	S	96.6	Very high	93.5	Very high	49 Å²	49	65.7 Å²	65.7	34%	0.343	33%	0.33	S	S	.	.			trans	-66.3	131.1	-179.9	62.2	0	0	0	0	110.8	F67 L68 D71	F67-S73 CarbonylContact C-O 3.51Å; F67-S73 VanDerWaalsContact CA-O 3.26Å; F67-S73 WeakPolarHBondContact CA-O 3.38Å; L68-S73 WeakPolarHBondContact CD1-OG 3.2Å; L68-S73 PolarHBondContact N-O 2.98Å; D71-S73 PolarHBondContact O-N 3.21Å; D71-S73 VanDerWaalsContact OD1-CB 3.23Å; D71-S73 WeakPolarHBondContact OD1-CB 3.48Å; D71-S73 PolarHBondContact OD1-N 3.21Å; D71-S73 PolarHBondContact OD1-OG 3.32Å; D71-S73 PolarHBondContact OD2-OG 3.21Å
74	Q	96.9	Very high	92.8	Very high	101 Å²	101	66.9 Å²	66.9	47%	0.472	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	124.8	178.1	-166.4	173	35.1	0	0	109.7	G66 F67 G72 Y76	G66-Q74 WeakPolarHBondContact O-CA 3.15Å; G66-Q74 WeakPolarHBondContact O-CG 3.4Å; F67-Q74 HydrophobicContact CD1-CB 3.6Å; F67-Q74 HydrophobicContact CD1-CG 3.83Å; F67-Q74 HydrophobicContact CE1-CB 3.57Å; F67-Q74 HydrophobicContact CE1-CG 3.52Å; F67-Q74 HydrophobicContact CZ-CG 4.01Å; G72-Q74 PolarHBondContact O-N 2.94Å; Q74-Y76 WeakPolarHBondContact CG-O 3.36Å
75	F	95.4	Very high	92.5	Very high	38 Å²	38	70.9 Å²	70.9	17%	0.167	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-15.4	178.5	69.5	-105.5	0	0	0	113	G66 F67 L68 F123 P130 V131 V137 F139	G66-F75 WeakPolarHBondContact O-CD1 3.49Å; G66-F75 PolarHBondContact O-N 2.86Å; F67-F75 VanDerWaalsContact C-CE1 3.45Å; F67-F75 VanDerWaalsContact N-CE1 3.26Å; F67-F75 WeakPolarHBondContact O-CE1 3.45Å; L68-F75 HydrophobicContact CD2-CD1 3.89Å; L68-F75 HydrophobicContact CD2-CE1 4.33Å; L68-F75 HydrophobicContact CG-CD1 4.19Å; F75-F123 HydrophobicContact CE2-CE2 4.21Å; F75-F123 HydrophobicContact CE2-CZ 4.33Å; F75-F123 HydrophobicContact CZ-CE2 4.08Å; F75-P130 HydrophobicContact CB-CB 4.11Å; F75-P130 HydrophobicContact CB-CG 3.79Å; F75-V131 HydrophobicContact CB-CG2 4.22Å; F75-V131 HydrophobicContact CD1-CG2 3.84Å; F75-V131 HydrophobicContact CD2-CG2 3.57Å; F75-V131 HydrophobicContact CE1-CG2 4.03Å; F75-V131 HydrophobicContact CE2-CG2 3.82Å; F75-V131 HydrophobicContact CG-CG2 3.61Å; F75-V131 HydrophobicContact CZ-CG2 4.04Å; F75-V137 HydrophobicContact CE1-CB 3.88Å; F75-V137 HydrophobicContact CE1-CG1 3.65Å; F75-V137 HydrophobicContact CZ-CB 4.15Å; F75-V137 HydrophobicContact CZ-CG1 4.03Å; F75-F139 HydrophobicContact CE2-CE1 4.34Å; F75-F139 HydrophobicContact CE2-CZ 4.12Å; F75-F139 HydrophobicContact CZ-CE1 4.02Å; F75-F139 HydrophobicContact CZ-CE2 4.24Å; F75-F139 AromaticContact CZ-CZ 3.61Å; F75-F139 HydrophobicContact CZ-CZ 3.61Å
76	Y	93.9	Very high	92.3	Very high	44 Å²	44	71.5 Å²	71.5	17%	0.173	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	140.8	178.7	-177.4	-101.9	0	0	0	110.8	Y64 D65 G66 Q74 D81	Y64-Y76 AromaticContact CD2-CD1 3.91Å; Y64-Y76 HydrophobicContact CD2-CD1 3.91Å; Y64-Y76 AromaticContact CD2-CE1 3.67Å; Y64-Y76 HydrophobicContact CD2-CE1 3.67Å; Y64-Y76 AromaticContact CE2-CD1 3.73Å; Y64-Y76 HydrophobicContact CE2-CD1 3.73Å; Y64-Y76 AromaticContact CE2-CE1 3.22Å; Y64-Y76 HydrophobicContact CE2-CE1 3.22Å; Y64-Y76 AromaticContact CZ-CE1 3.9Å; Y64-Y76 WeakPolarHBondContact O-CE1 2.93Å; D65-Y76 CarbonylContact C-O 3.57Å; D65-Y76 WeakPolarHBondContact CA-O 3.35Å; G66-Y76 PolarHBondContact N-O 3.19Å; G66-Y76 PolarHBondContact O-N 3.33Å; Q74-Y76 WeakPolarHBondContact CG-O 3.36Å; Y76-D81 HydrophobicContact CD2-CB 4.47Å; Y76-D81 VanDerWaalsContact CD2-OD2 3.24Å; Y76-D81 WeakPolarHBondContact CD2-OD2 3.26Å; Y76-D81 HydrophobicContact CE2-CB 3.95Å
77	C	93.7	Very high	92.2	Very high	17 Å²	17	75 Å²	75	12%	0.115	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	111	174.5	178.6	0	0	0	0	109.4	D65 R79 S80 D81	D65-C77 WeakPolarHBondContact OD1-CA 3.42Å; C77-R79 PolarHBondContact O-N 2.82Å; C77-R79 VanDerWaalsContact O-N 3.12Å; C77-S80 VanDerWaalsContact CB-OG 3.3Å; C77-S80 WeakPolarHBondContact CB-OG 3.26Å; C77-S80 PolarHBondContact O-N 2.77Å; C77-S80 PolarHBondContact O-OG 3.02Å; C77-D81 PolarHBondContact N-OD2 2.82Å; C77-D81 WeakPolarHBondContact O-CB 3.49Å; C77-D81 PolarHBondContact O-N 3.33Å
78	S	89.8	Confident	91.9	Very high	0 Å²	0	78.8 Å²	78.8	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-57.2	-31	179	60.1	0	0	0	0	112.2	H63 Y64 D65 K82	H63-S78 WeakPolarHBondContact CA-OG 3.2Å; H63-S78 WeakPolarHBondContact CB-OG 3.42Å; H63-S78 PolarHBondContact ND1-OG 2.88Å; Y64-S78 PolarHBondContact N-OG 3.31Å; Y64-S78 VanDerWaalsContact N-OG 3.08Å; Y64-S78 VanDerWaalsContact O-CB 3.28Å; Y64-S78 WeakPolarHBondContact O-CB 3.49Å; Y64-S78 PolarHBondContact O-N 2.65Å; Y64-S78 PolarHBondContact O-OG 2.76Å; D65-S78 PolarHBondContact OD1-N 3.41Å; D65-S78 PolarHBondContact OD1-OG 2.86Å; S78-K82 WeakPolarHBondContact O-CB 3.48Å; S78-K82 PolarHBondContact O-N 2.99Å
79	R	87.4	Confident	91.7	Very high	111 Å²	111	78.3 Å²	78.3	42%	0.419	40%	0.397	S	S	.	.	H	α-helix	trans	-76	-30	-177.5	-57.8	-179.9	-169.5	-83.5	0.2	113.6	H63 D65 C77 G84 E142	H63-R79 PolarHBondContact CD2-NH1 3.07Å; H63-R79 VanDerWaalsContact CD2-NH1 3.28Å; D65-R79 IonicContact OD2-NE 2.76Å; C77-R79 PolarHBondContact O-N 2.82Å; C77-R79 VanDerWaalsContact O-N 3.12Å; R79-G84 WeakPolarHBondContact O-CA 3.41Å; R79-G84 PolarHBondContact O-N 2.77Å; R79-E142 IonicContact CZ-OE2 3.6Å; R79-E142 IonicContact NH1-OE2 3.77Å; R79-E142 IonicContact NH2-OE2 2.73Å; R79-E142 PolarHBondContact NH2-OE2 2.91Å
80	S	88.1	Confident	91.5	Very high	78 Å²	78	74 Å²	74	55%	0.545	38%	0.377	S	S	.	.	H	α-helix	trans	-93.2	-45.1	173.9	57.5	0	0	0	0	111.8	C77 K82 Q83	C77-S80 VanDerWaalsContact CB-OG 3.3Å; C77-S80 WeakPolarHBondContact CB-OG 3.26Å; C77-S80 PolarHBondContact O-N 2.77Å; C77-S80 PolarHBondContact O-OG 3.02Å; S80-K82 VanDerWaalsContact C-N 3.27Å; S80-K82 PolarHBondContact O-N 2.82Å; S80-Q83 PolarHBondContact O-N 3.07Å
81	D	86.6	Confident	91.4	Very high	88 Å²	88	64.6 Å²	64.6	47%	0.471	34%	0.336	S	S	.	.	H	α-helix	trans	-76.3	-17.4	-168.1	-58.2	-24.9	0	0	0	112.5	Y76 C77	Y76-D81 HydrophobicContact CD2-CB 4.47Å; Y76-D81 VanDerWaalsContact CD2-OD2 3.24Å; Y76-D81 WeakPolarHBondContact CD2-OD2 3.26Å; Y76-D81 HydrophobicContact CE2-CB 3.95Å; C77-D81 PolarHBondContact N-OD2 2.82Å; C77-D81 WeakPolarHBondContact O-CB 3.49Å; C77-D81 PolarHBondContact O-N 3.33Å
82	K	83.5	Confident	91.2	Very high	92 Å²	92	60.4 Å²	60.4	40%	0.4	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	27.8	177.5	-56.8	-62.8	-176.9	-174.4	0	113.4	S78 S80 G84 H85	S78-K82 WeakPolarHBondContact O-CB 3.48Å; S78-K82 PolarHBondContact O-N 2.99Å; S80-K82 VanDerWaalsContact C-N 3.27Å; S80-K82 PolarHBondContact O-N 2.82Å; K82-G84 PolarHBondContact O-N 2.7Å; K82-H85 WeakPolarHBondContact CB-O 3.47Å; K82-H85 WeakPolarHBondContact O-CB 3.43Å; K82-H85 PolarHBondContact O-CD2 2.95Å; K82-H85 PolarHBondContact O-N 2.89Å
83	Q	85.8	Confident	90.7	Very high	175 Å²	175	60 Å²	60	82%	0.818	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	34.4	179.6	-52.8	174.8	27.9	0	0	112.3	S80 H85	S80-Q83 PolarHBondContact O-N 3.07Å; Q83-H85 VanDerWaalsContact C-N 3.29Å; Q83-H85 PolarHBondContact O-N 2.88Å
84	G	82.4	Confident	90.4	Very high	37 Å²	37	60.4 Å²	60.4	38%	0.381	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-1.9	-177.6	0	0	0	0	0	115.3	H63 R79 K82	H63-G84 PolarHBondContact CE1-O 2.9Å; R79-G84 WeakPolarHBondContact O-CA 3.41Å; R79-G84 PolarHBondContact O-N 2.77Å; K82-G84 PolarHBondContact O-N 2.7Å
85	H	88.3	Confident	90	Very high	121 Å²	121	61.2 Å²	61.2	56%	0.56	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-85.9	132.3	-176.4	-62.7	-57.8	0	0	0	112.8	K82 Q83	K82-H85 WeakPolarHBondContact CB-O 3.47Å; K82-H85 WeakPolarHBondContact O-CB 3.43Å; K82-H85 PolarHBondContact O-CD2 2.95Å; K82-H85 PolarHBondContact O-N 2.89Å; Q83-H85 VanDerWaalsContact C-N 3.29Å; Q83-H85 PolarHBondContact O-N 2.88Å
86	P	93	Very high	90	Very high	33 Å²	33	60.5 Å²	60.5	21%	0.214	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-67.9	153	171	30.7	-36.8	0	0	0	110.8	N61 H63 L144	N61-P86 PolarHBondContact ND2-O 2.84Å; N61-P86 VanDerWaalsContact OD1-CB 3.28Å; N61-P86 WeakPolarHBondContact OD1-CB 3.19Å; N61-P86 WeakPolarHBondContact OD1-CG 3.49Å; H63-P86 VanDerWaalsContact CE1-N 3.35Å; P86-L144 HydrophobicContact CB-CD1 3.57Å; P86-L144 HydrophobicContact CG-CD1 3.64Å
87	Q	93.8	Very high	90.1	Very high	73 Å²	73	60 Å²	60	34%	0.341	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	136.4	-175.9	-170.9	57.3	61.3	0	0	111.1	N61 A62 Y64 F89	N61-Q87 WeakPolarHBondContact CA-O 3.35Å; N61-Q87 PolarHBondContact ND2-O 2.95Å; A62-Q87 PolarHBondContact N-O 3.37Å; A62-Q87 PolarHBondContact O-N 3.36Å; Y64-Q87 HydrophobicContact CE1-CB 4.15Å; Q87-F89 HydrophobicContact CG-CD1 4.49Å
88	W	92.9	Very high	90.2	Very high	124 Å²	124	67.1 Å²	67.1	47%	0.47	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.1	169.9	-69.1	98	0	0	0	110.9	L59 I60 N61	L59-W88 HydrophobicContact CD1-CB 4.4Å; L59-W88 HydrophobicContact CD1-CE3 3.94Å; L59-W88 HydrophobicContact CD2-CE3 3.9Å; L59-W88 HydrophobicContact CD2-CZ3 4.03Å; L59-W88 HydrophobicContact CG-CE3 3.6Å; L59-W88 HydrophobicContact CG-CZ3 3.89Å; I60-W88 VanDerWaalsContact O-CA 3.31Å; I60-W88 WeakPolarHBondContact O-CA 3.48Å; N61-W88 HydrophobicContact CB-CD2 3.68Å; N61-W88 HydrophobicContact CB-CE3 3.58Å; N61-W88 HydrophobicContact CB-CG 4.49Å; N61-W88 HydrophobicContact CB-CH2 3.59Å; N61-W88 HydrophobicContact CB-CZ2 3.63Å; N61-W88 HydrophobicContact CB-CZ3 3.56Å; N61-W88 VanDerWaalsContact ND2-CD1 3.35Å; N61-W88 VanDerWaalsContact ND2-CE2 3.31Å; N61-W88 PolarHBondContact ND2-NE1 2.82Å; N61-W88 VanDerWaalsContact ND2-NE1 3.2Å
89	F	93.4	Very high	90.5	Very high	7 Å²	7	67.1 Å²	67.1	3%	0.031	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	159.7	172.7	57	-88.4	0	0	0	110.9	I60 A62 Y64 Q87 L91 Q95 V96 M104	I60-F89 HydrophobicContact CB-CE2 4.26Å; I60-F89 HydrophobicContact CB-CZ 4.3Å; I60-F89 HydrophobicContact CG2-CZ 4.23Å; I60-F89 PolarHBondContact N-O 2.81Å; I60-F89 PolarHBondContact O-N 2.8Å; A62-F89 HydrophobicContact CB-CE1 4.13Å; A62-F89 HydrophobicContact CB-CZ 4.26Å; Y64-F89 HydrophobicContact CE1-CE1 4.41Å; Q87-F89 HydrophobicContact CG-CD1 4.49Å; F89-L91 HydrophobicContact CE2-CD1 4.35Å; F89-Q95 VanDerWaalsContact CA-OE1 3.26Å; F89-Q95 HydrophobicContact CB-CB 4.1Å; F89-V96 HydrophobicContact CD1-CG1 4.23Å; F89-V96 HydrophobicContact CD2-CG1 4.07Å; F89-V96 HydrophobicContact CD2-CG2 4.48Å; F89-V96 HydrophobicContact CE1-CG1 4.48Å; F89-V96 HydrophobicContact CE2-CG1 4.34Å; F89-V96 HydrophobicContact CE2-CG2 4.42Å; F89-V96 HydrophobicContact CG-CG1 4.03Å; F89-M104 HydrophobicContact CE1-CE 4.44Å; F89-M104 HydrophobicContact CE2-CE 3.44Å; F89-M104 VanDerWaalsContact CE2-CE 3.44Å; F89-M104 HydrophobicContact CE2-SD 4.41Å; F89-M104 HydrophobicContact CZ-CE 3.29Å; F89-M104 HydrophobicContact CZ-SD 3.8Å
90	V	92.1	Very high	91	Very high	14 Å²	14	62 Å²	62	9%	0.085	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.1	174.5	-176.2	0	0	0	0	108.8	D58 L59 V93 P150	D58-V90 CarbonylContact O-C 3.4Å; D58-V90 WeakPolarHBondContact O-CA 3.42Å; L59-V90 HydrophobicContact CD1-CG2 4.39Å; V90-V93 HydrophobicContact CB-CG1 4.49Å; V90-V93 HydrophobicContact CB-CG2 3.85Å; V90-V93 HydrophobicContact CG1-CG1 3.75Å; V90-V93 HydrophobicContact CG1-CG2 4.01Å; V90-V93 WeakPolarHBondContact O-CG2 3.46Å; V90-P150 HydrophobicContact CG2-CG 4.16Å
91	L	94.5	Very high	91.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	137.2	-174.6	-176.8	66.4	0	0	0	112.2	G57 D58 I60 F89 D101 M104 M105	G57-L91 PolarHBondContact N-O 3.25Å; D58-L91 PolarHBondContact O-N 2.85Å; I60-L91 HydrophobicContact CD1-CB 3.59Å; I60-L91 HydrophobicContact CD1-CD1 4.18Å; I60-L91 HydrophobicContact CD1-CD2 3.52Å; I60-L91 HydrophobicContact CD1-CG 3.94Å; I60-L91 HydrophobicContact CG1-CB 4.15Å; F89-L91 HydrophobicContact CE2-CD1 4.35Å; L91-D101 WeakPolarHBondContact CD1-O 3.44Å; L91-M104 HydrophobicContact CD1-CB 3.87Å; L91-M104 HydrophobicContact CD1-CE 4.22Å; L91-M104 WeakPolarHBondContact CD2-O 3.49Å; L91-M105 HydrophobicContact CD2-CE 4.15Å; L91-M105 HydrophobicContact CD2-CG 4.4Å; L91-M105 HydrophobicContact CD2-SD 3.61Å; L91-M105 HydrophobicContact CG-CE 4.01Å; L91-M105 HydrophobicContact CG-SD 4.15Å
92	G	89.9	Confident	91.8	Very high	18 Å²	18	58.3 Å²	58.3	19%	0.186	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	19.6	169.5	0	0	0	0	0	114.2	D101	G92-D101 VanDerWaalsContact CA-CG 3.42Å; G92-D101 WeakPolarHBondContact CA-OD2 3.38Å; G92-D101 VanDerWaalsContact N-CG 3.27Å; G92-D101 PolarHBondContact N-OD1 2.97Å
93	V	87.5	Confident	92.4	Very high	41 Å²	41	54 Å²	54	25%	0.248	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	9.7	-178	-41.2	0	0	0	0	112.7	V90 Q95 D101 Y219	V90-V93 HydrophobicContact CB-CG1 4.49Å; V90-V93 HydrophobicContact CB-CG2 3.85Å; V90-V93 HydrophobicContact CG1-CG1 3.75Å; V90-V93 HydrophobicContact CG1-CG2 4.01Å; V90-V93 WeakPolarHBondContact O-CG2 3.46Å; V93-Q95 HydrophobicContact CG2-CG 3.87Å; V93-D101 PolarHBondContact N-OD2 2.87Å; V93-Y219 HydrophobicContact CB-CE1 3.93Å; V93-Y219 WeakPolarHBondContact CB-OH 3.32Å; V93-Y219 HydrophobicContact CG1-CD1 4.07Å; V93-Y219 HydrophobicContact CG1-CE1 3.31Å; V93-Y219 HydrophobicContact CG1-CE2 4Å; V93-Y219 VanDerWaalsContact CG1-OH 3.29Å; V93-Y219 WeakPolarHBondContact CG1-OH 3.43Å
94	G	88.7	Confident	93	Very high	56 Å²	56	45.6 Å²	45.6	58%	0.577	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	22.4	177	0	0	0	0	0	114.8	V96 D101	G94-V96 VanDerWaalsContact C-N 3.29Å; G94-D101 WeakPolarHBondContact CA-OD2 3.46Å; G94-D101 PolarHBondContact N-OD2 3.13Å
95	Q	90.3	Very high	93.6	Very high	118 Å²	118	46.4 Å²	46.4	55%	0.551	24%	0.239	S	C	*	.	S	Bend	trans	-77	-19.7	170.2	-73.7	-170.6	-7.6	0	0	112.7	F89 V93	F89-Q95 VanDerWaalsContact CA-OE1 3.26Å; F89-Q95 HydrophobicContact CB-CB 4.1Å; V93-Q95 HydrophobicContact CG2-CG 3.87Å
96	V	94.4	Very high	94	Very high	24 Å²	24	45.3 Å²	45.3	15%	0.145	24%	0.237	C	C	.	.	S	Bend	trans	-122.6	174.8	169.8	-64.1	0	0	0	0	109.4	F89 G94 L100 D101 M104	F89-V96 HydrophobicContact CD1-CG1 4.23Å; F89-V96 HydrophobicContact CD2-CG1 4.07Å; F89-V96 HydrophobicContact CD2-CG2 4.48Å; F89-V96 HydrophobicContact CE1-CG1 4.48Å; F89-V96 HydrophobicContact CE2-CG1 4.34Å; F89-V96 HydrophobicContact CE2-CG2 4.42Å; F89-V96 HydrophobicContact CG-CG1 4.03Å; G94-V96 VanDerWaalsContact C-N 3.29Å; V96-L100 HydrophobicContact CB-CB 4.28Å; V96-L100 HydrophobicContact CG2-CB 3.84Å; V96-D101 HydrophobicContact CG2-CB 4.49Å; V96-D101 VanDerWaalsContact CG2-OD1 3.25Å; V96-D101 WeakPolarHBondContact CG2-OD1 3.28Å; V96-M104 HydrophobicContact CG2-CE 4.2Å
97	I	95.7	Very high	94.2	Very high	32 Å²	32	43.8 Å²	43.8	16%	0.164	23%	0.227	C	C	.	.			trans	-60	148.8	175	60.9	166.1	0	0	0	110.6	G99 L100 D101 V117 A122 F123 F139	I97-G99 PolarHBondContact O-N 3.46Å; I97-G99 VanDerWaalsContact O-N 3.13Å; I97-L100 HydrophobicContact CD1-CD1 4.37Å; I97-L100 HydrophobicContact CD1-CG 4.11Å; I97-L100 HydrophobicContact CG1-CB 3.93Å; I97-L100 HydrophobicContact CG1-CD1 3.93Å; I97-L100 HydrophobicContact CG1-CG 3.77Å; I97-L100 PolarHBondContact O-N 2.65Å; I97-D101 PolarHBondContact O-N 2.84Å; I97-D101 VanDerWaalsContact O-N 3.12Å; I97-V117 HydrophobicContact CD1-CG1 4.31Å; I97-A122 HydrophobicContact CD1-CB 3.94Å; I97-F123 HydrophobicContact CG2-CD1 4.48Å; I97-F123 HydrophobicContact CG2-CE1 4.01Å; I97-F123 HydrophobicContact CG2-CZ 4.25Å; I97-F139 HydrophobicContact CD1-CD2 4.22Å; I97-F139 HydrophobicContact CD1-CE2 3.41Å; I97-F139 VanDerWaalsContact CD1-CE2 3.41Å; I97-F139 HydrophobicContact CD1-CZ 3.97Å
98	R	95.3	Very high	94.4	Very high	167 Å²	167	40.4 Å²	40.4	63%	0.63	21%	0.212	S	C	*	.	H	α-helix	trans	-54.7	-37.7	-175.3	-69.7	177.5	63	-163.7	-1.3	112.8	L100 D101 V102 L121	R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 2.97Å; R98-D101 WeakPolarHBondContact O-CB 3.4Å; R98-D101 PolarHBondContact O-N 3.15Å; R98-V102 WeakPolarHBondContact O-CG2 3.28Å; R98-V102 PolarHBondContact O-N 3.02Å; R98-L121 HydrophobicContact CB-CB 4.49Å; R98-L121 HydrophobicContact CB-CD2 4.16Å; R98-L121 PolarHBondContact N-O 3.28Å
99	G	96.7	Very high	94.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.3	-33.7	179.4	0	0	0	0	0	114.1	I97 G103 L121	I97-G99 PolarHBondContact O-N 3.46Å; I97-G99 VanDerWaalsContact O-N 3.13Å; G99-G103 PolarHBondContact O-N 3.32Å; G99-L121 PolarHBondContact N-O 2.86Å
100	L	97.4	Very high	94.7	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-74.5	-40.1	174.1	-79.3	-177.8	0	0	0	111.4	Y64 V96 I97 R98 V102 G103 M104 F139 V141	Y64-L100 HydrophobicContact CD2-CD1 4.32Å; V96-L100 HydrophobicContact CB-CB 4.28Å; V96-L100 HydrophobicContact CG2-CB 3.84Å; I97-L100 HydrophobicContact CD1-CD1 4.37Å; I97-L100 HydrophobicContact CD1-CG 4.11Å; I97-L100 HydrophobicContact CG1-CB 3.93Å; I97-L100 HydrophobicContact CG1-CD1 3.93Å; I97-L100 HydrophobicContact CG1-CG 3.77Å; I97-L100 PolarHBondContact O-N 2.65Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 2.97Å; L100-V102 PolarHBondContact O-N 3.05Å; L100-G103 PolarHBondContact O-N 2.98Å; L100-M104 HydrophobicContact CB-CE 3.89Å; L100-M104 WeakPolarHBondContact O-CB 3.47Å; L100-M104 WeakPolarHBondContact O-CE 3.49Å; L100-M104 PolarHBondContact O-N 3.32Å; L100-F139 HydrophobicContact CD1-CD1 4.09Å; L100-F139 HydrophobicContact CD1-CD2 4.32Å; L100-F139 HydrophobicContact CD1-CE1 4.12Å; L100-F139 HydrophobicContact CD1-CE2 4.35Å; L100-F139 HydrophobicContact CD1-CG 4.18Å; L100-F139 HydrophobicContact CD1-CZ 4.24Å; L100-F139 HydrophobicContact CD2-CB 3.73Å; L100-F139 HydrophobicContact CD2-CD1 4.4Å; L100-F139 HydrophobicContact CD2-CD2 4.04Å; L100-F139 HydrophobicContact CD2-CG 3.8Å; L100-F139 HydrophobicContact CG-CD2 4.14Å; L100-F139 HydrophobicContact CG-CE2 4.44Å; L100-F139 HydrophobicContact CG-CG 4.24Å; L100-V141 HydrophobicContact CD2-CG1 3.76Å
101	D	96	Very high	95	Very high	13 Å²	13	37 Å²	37	7%	0.07	22%	0.215	C	C	.	.	H	α-helix	trans	-54.9	-40.5	172.8	-95.1	-10.1	0	0	0	111.4	L91 G92 V93 G94 V96 I97 R98 M105	L91-D101 WeakPolarHBondContact CD1-O 3.44Å; G92-D101 VanDerWaalsContact CA-CG 3.42Å; G92-D101 WeakPolarHBondContact CA-OD2 3.38Å; G92-D101 VanDerWaalsContact N-CG 3.27Å; G92-D101 PolarHBondContact N-OD1 2.97Å; V93-D101 PolarHBondContact N-OD2 2.87Å; G94-D101 WeakPolarHBondContact CA-OD2 3.46Å; G94-D101 PolarHBondContact N-OD2 3.13Å; V96-D101 HydrophobicContact CG2-CB 4.49Å; V96-D101 VanDerWaalsContact CG2-OD1 3.25Å; V96-D101 WeakPolarHBondContact CG2-OD1 3.28Å; I97-D101 PolarHBondContact O-N 2.84Å; I97-D101 VanDerWaalsContact O-N 3.12Å; R98-D101 WeakPolarHBondContact O-CB 3.4Å; R98-D101 PolarHBondContact O-N 3.15Å; D101-M105 WeakPolarHBondContact O-CE 3.38Å; D101-M105 WeakPolarHBondContact O-CG 3.47Å
102	V	95.5	Very high	95.2	Very high	77 Å²	77	40.7 Å²	40.7	47%	0.467	23%	0.231	S	C	.	.	H	α-helix	trans	-74.8	-47	174.5	174	0	0	0	0	111.7	V39 R98 L100 M104 M105	V39-V102 HydrophobicContact CB-CG1 4.4Å; V39-V102 HydrophobicContact CG2-CB 4.27Å; V39-V102 HydrophobicContact CG2-CG1 4.26Å; R98-V102 WeakPolarHBondContact O-CG2 3.28Å; R98-V102 PolarHBondContact O-N 3.02Å; L100-V102 PolarHBondContact O-N 3.05Å; V102-M104 PolarHBondContact O-N 3.29Å; V102-M105 PolarHBondContact O-N 3.31Å
103	G	96.7	Very high	95.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-26.1	-174	0	0	0	0	0	114.7	G99 L100 R113	G99-G103 PolarHBondContact O-N 3.32Å; L100-G103 PolarHBondContact O-N 2.98Å; G103-R113 PolarHBondContact O-NH1 3.4Å
104	M	97.5	Very high	96.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	6.3	-179.2	-64.7	-176.5	-63.4	0	0	114.5	S54 F89 L91 V96 L100 V102 M107 V141	S54-M104 PolarHBondContact OG-O 3.04Å; F89-M104 HydrophobicContact CE1-CE 4.44Å; F89-M104 HydrophobicContact CE2-CE 3.44Å; F89-M104 VanDerWaalsContact CE2-CE 3.44Å; F89-M104 HydrophobicContact CE2-SD 4.41Å; F89-M104 HydrophobicContact CZ-CE 3.29Å; F89-M104 HydrophobicContact CZ-SD 3.8Å; L91-M104 HydrophobicContact CD1-CB 3.87Å; L91-M104 HydrophobicContact CD1-CE 4.22Å; L91-M104 WeakPolarHBondContact CD2-O 3.49Å; V96-M104 HydrophobicContact CG2-CE 4.2Å; L100-M104 HydrophobicContact CB-CE 3.89Å; L100-M104 WeakPolarHBondContact O-CB 3.47Å; L100-M104 WeakPolarHBondContact O-CE 3.49Å; L100-M104 PolarHBondContact O-N 3.32Å; V102-M104 PolarHBondContact O-N 3.29Å; M104-M107 HydrophobicContact CB-SD 3.94Å; M104-M107 HydrophobicContact CG-SD 3.85Å; M104-V141 HydrophobicContact CG-CG2 4.24Å; M104-V141 HydrophobicContact SD-CB 4.42Å; M104-V141 HydrophobicContact SD-CG1 4.34Å
105	M	96.1	Very high	96.6	Very high	53 Å²	53	39.2 Å²	39.2	26%	0.261	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	147.8	168.4	-68.2	-68.2	175.9	0	0	110.9	K56 L91 D101 V102 M107 R113	K56-M105 HydrophobicContact CB-CE 3.93Å; L91-M105 HydrophobicContact CD2-CE 4.15Å; L91-M105 HydrophobicContact CD2-CG 4.4Å; L91-M105 HydrophobicContact CD2-SD 3.61Å; L91-M105 HydrophobicContact CG-CE 4.01Å; L91-M105 HydrophobicContact CG-SD 4.15Å; D101-M105 WeakPolarHBondContact O-CE 3.38Å; D101-M105 WeakPolarHBondContact O-CG 3.47Å; V102-M105 PolarHBondContact O-N 3.31Å; M105-M107 PolarHBondContact O-N 2.89Å; M105-R113 PolarHBondContact O-NH1 3.12Å
106	D	96.4	Very high	96.9	Very high	99 Å²	99	34.6 Å²	34.6	53%	0.529	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	31.2	177.7	-64.6	-54.8	0	0	0	114.5	K53 S54 R113	K53-D106 HydrophobicContact CD-CB 4.46Å; S54-D106 WeakPolarHBondContact O-CA 3.44Å; S54-D106 PolarHBondContact O-N 3.44Å; S54-D106 PolarHBondContact OG-N 2.99Å; D106-R113 PolarHBondContact O-NH2 2.93Å
107	M	97.6	Very high	97.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-91.5	144.2	174.1	-75.2	-169.7	72.1	0	0	111.7	K53 S54 M104 M105 E111 R113 V141 V143	K53-M107 CarbonylContact C-O 3.6Å; K53-M107 WeakPolarHBondContact CA-O 3.16Å; S54-M107 PolarHBondContact N-O 2.88Å; S54-M107 PolarHBondContact OG-N 3.13Å; S54-M107 PolarHBondContact OG-O 2.94Å; M104-M107 HydrophobicContact CB-SD 3.94Å; M104-M107 HydrophobicContact CG-SD 3.85Å; M105-M107 PolarHBondContact O-N 2.89Å; M107-E111 WeakPolarHBondContact CA-OE2 3.45Å; M107-E111 HydrophobicContact CE-CB 3.79Å; M107-E111 HydrophobicContact CE-CG 3.94Å; M107-E111 VanDerWaalsContact CE-O 3.22Å; M107-E111 WeakPolarHBondContact CE-O 3.47Å; M107-R113 HydrophobicContact CE-CB 4.43Å; M107-R113 HydrophobicContact CE-CG 3.89Å; M107-R113 HydrophobicContact SD-CG 4.16Å; M107-V141 HydrophobicContact CE-CG2 4.09Å; M107-V141 HydrophobicContact SD-CG2 4.1Å; M107-V143 HydrophobicContact CB-CG2 4.08Å; M107-V143 HydrophobicContact CE-CB 4.07Å; M107-V143 HydrophobicContact CE-CG2 3.54Å; M107-V143 HydrophobicContact SD-CG2 3.67Å
108	C	97.1	Very high	97.2	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.014	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-91.9	153.8	170.7	-53.2	0	0	0	0	111	P47 C50 G110 E111	P47-C108 HydrophobicContact CG-CB 3.81Å; C50-C108 HydrophobicContact CB-CB 3.73Å; C50-C108 WeakPolarHBondContact CB-SG 3.24Å; C50-C108 WeakPolarHBondContact SG-CB 3.38Å; C50-C108 CovalentContact SG-SG 2.02Å; C50-C108 PolarHBondContact SG-SG 2.91Å; C108-G110 PolarHBondContact O-N 3.34Å; C108-E111 HydrophobicContact CB-CB 4.34Å; C108-E111 PolarHBondContact N-OE2 2.84Å; C108-E111 WeakPolarHBondContact O-CB 3.24Å; C108-E111 PolarHBondContact O-N 3.22Å
109	A	96.7	Very high	97.2	Very high	47 Å²	47	25.2 Å²	25.2	39%	0.388	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	127.2	167.6	0	0	0	0	0	110.3	P47	P47-A109 WeakPolarHBondContact CG-O 3.2Å
110	G	96.8	Very high	97.2	Very high	26 Å²	26	30.8 Å²	30.8	27%	0.268	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	-11.1	-170.5	0	0	0	0	0	114.7	F45 C108 V143	F45-G110 WeakPolarHBondContact CD1-O 3.03Å; F45-G110 WeakPolarHBondContact CE1-O 3.48Å; C108-G110 PolarHBondContact O-N 3.34Å; G110-V143 WeakPolarHBondContact CA-O 3.22Å; G110-V143 PolarHBondContact N-O 3.31Å
111	E	98.1	Very high	97.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.			trans	-72.4	142.8	-178.7	-168.1	173.9	156.1	0	0	112	V43 F45 R46 M107 C108 R113 E142 V143	V43-E111 HydrophobicContact CG1-CG 4.44Å; F45-E111 WeakPolarHBondContact O-CA 2.96Å; F45-E111 WeakPolarHBondContact O-CG 3.41Å; R46-E111 HydrophobicContact CB-CG 4.44Å; R46-E111 IonicContact NE-OE1 3.88Å; R46-E111 IonicContact NE-OE2 3.85Å; R46-E111 IonicContact NH2-OE1 3.69Å; M107-E111 WeakPolarHBondContact CA-OE2 3.45Å; M107-E111 HydrophobicContact CE-CB 3.79Å; M107-E111 HydrophobicContact CE-CG 3.94Å; M107-E111 VanDerWaalsContact CE-O 3.22Å; M107-E111 WeakPolarHBondContact CE-O 3.47Å; C108-E111 HydrophobicContact CB-CB 4.34Å; C108-E111 PolarHBondContact N-OE2 2.84Å; C108-E111 WeakPolarHBondContact O-CB 3.24Å; C108-E111 PolarHBondContact O-N 3.22Å; E111-R113 IonicContact OE1-CZ 3.2Å; E111-R113 IonicContact OE1-NE 2.75Å; E111-R113 PolarHBondContact OE1-NE 3.13Å; E111-R113 IonicContact OE1-NH2 2.78Å; E111-R113 PolarHBondContact OE1-NH2 2.99Å; E111-R113 IonicContact OE2-NH2 3.77Å; E111-E142 WeakPolarHBondContact O-CA 3.28Å; E111-V143 PolarHBondContact O-N 3.25Å
112	K	98.3	Very high	97.1	Very high	78 Å²	78	32.1 Å²	32.1	34%	0.339	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.6	175.5	-52.7	-176.2	-171.7	-150.7	0	111.1	L44 F45 V141 E142	L44-K112 HydrophobicContact CB-CB 4.18Å; L44-K112 PolarHBondContact N-O 2.75Å; F45-K112 HydrophobicContact CB-CB 4.05Å; F45-K112 HydrophobicContact CB-CD 4.31Å; F45-K112 HydrophobicContact CB-CG 4.17Å; F45-K112 HydrophobicContact CD1-CG 4.35Å; F45-K112 PolarHBondContact N-O 3.43Å; F45-K112 PolarHBondContact O-N 2.84Å; K112-V141 CarbonylContact C-O 3.57Å; K112-V141 WeakPolarHBondContact CA-O 3.41Å; K112-E142 HydrophobicContact CD-CG 4.48Å; K112-E142 WeakPolarHBondContact CE-OE1 3.43Å; K112-E142 HydrophobicContact CG-CB 4.12Å; K112-E142 HydrophobicContact CG-CG 4.05Å; K112-E142 IonicContact NZ-OE1 3.97Å; K112-E142 PolarHBondContact NZ-OE1 3.35Å
113	R	98.5	Very high	97.2	Very high	14 Å²	14	30.7 Å²	30.7	5%	0.053	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.2	176.9	-64.3	-178.8	177.9	172.4	6.4	111.2	I41 Q42 V43 G103 M105 D106 M107 E111 V115 E140 V141	I41-R113 HydrophobicContact CG2-CG 4.41Å; Q42-R113 CarbonylContact O-C 3.59Å; Q42-R113 VanDerWaalsContact O-CA 3.24Å; Q42-R113 WeakPolarHBondContact O-CA 3.28Å; V43-R113 HydrophobicContact CG2-CG 4.29Å; G103-R113 PolarHBondContact O-NH1 3.4Å; M105-R113 PolarHBondContact O-NH1 3.12Å; D106-R113 PolarHBondContact O-NH2 2.93Å; M107-R113 HydrophobicContact CE-CB 4.43Å; M107-R113 HydrophobicContact CE-CG 3.89Å; M107-R113 HydrophobicContact SD-CG 4.16Å; E111-R113 IonicContact OE1-CZ 3.2Å; E111-R113 IonicContact OE1-NE 2.75Å; E111-R113 PolarHBondContact OE1-NE 3.13Å; E111-R113 IonicContact OE1-NH2 2.78Å; E111-R113 PolarHBondContact OE1-NH2 2.99Å; E111-R113 IonicContact OE2-NH2 3.77Å; R113-V115 HydrophobicContact CB-CG2 4.12Å; R113-E140 WeakPolarHBondContact O-CA 3.43Å; R113-V141 HydrophobicContact CB-CG2 3.75Å; R113-V141 PolarHBondContact N-O 3.12Å; R113-V141 PolarHBondContact O-N 3.06Å
114	K	98.4	Very high	97.1	Very high	71 Å²	71	31.2 Å²	31.2	31%	0.309	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.9	160.7	-175	178.5	-175.2	178.5	0	107.8	Q42 L44 V138 F139	Q42-K114 HydrophobicContact CB-CB 4.26Å; Q42-K114 PolarHBondContact N-O 2.96Å; Q42-K114 PolarHBondContact O-N 3.27Å; L44-K114 HydrophobicContact CD1-CB 4.1Å; L44-K114 HydrophobicContact CD2-CB 4.13Å; L44-K114 HydrophobicContact CG-CB 4.16Å; K114-V138 HydrophobicContact CD-CG1 4.15Å; K114-V138 HydrophobicContact CG-CG1 3.71Å; K114-F139 CarbonylContact C-O 3.55Å; K114-F139 WeakPolarHBondContact CA-O 2.98Å
115	V	98.2	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	105.9	-172.8	-173.4	0	0	0	0	108.2	V39 Q40 R113 V117 V138 F139 V141	V39-V115 HydrophobicContact CG1-CG1 3.28Å; Q40-V115 CarbonylContact O-C 3.59Å; Q40-V115 WeakPolarHBondContact O-CA 3.4Å; R113-V115 HydrophobicContact CB-CG2 4.12Å; V115-V117 HydrophobicContact CG1-CG2 3.81Å; V115-V138 WeakPolarHBondContact O-CA 3.34Å; V115-F139 HydrophobicContact CB-CB 4.46Å; V115-F139 PolarHBondContact N-O 2.93Å; V115-F139 PolarHBondContact O-N 3.38Å; V115-V141 HydrophobicContact CG2-CG2 4.15Å
116	T	98.2	Very high	97.1	Very high	21 Å²	21	38.4 Å²	38.4	13%	0.129	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.4	174.1	-53.8	0	0	0	0	108.7	V39 Q40 T136 V138	V39-T116 WeakPolarHBondContact CA-O 3.22Å; Q40-T116 PolarHBondContact N-O 2.96Å; Q40-T116 PolarHBondContact O-N 3.44Å; T116-T136 HydrophobicContact CG2-CG2 3.69Å; T116-V138 HydrophobicContact CG2-CG2 4.1Å
117	V	97.9	Very high	97.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117.9	-172.1	-173.2	0	0	0	0	109.6	V39 I97 V115 L121 A122 T136 V137 F139	V39-V117 HydrophobicContact CG1-CG2 4.35Å; I97-V117 HydrophobicContact CD1-CG1 4.31Å; V115-V117 HydrophobicContact CG1-CG2 3.81Å; V117-L121 HydrophobicContact CG1-CB 3.7Å; V117-A122 HydrophobicContact CB-CB 4.38Å; V117-A122 HydrophobicContact CG1-CB 3.79Å; V117-T136 WeakPolarHBondContact O-CG2 3.47Å; V117-V137 HydrophobicContact CB-CG2 4.01Å; V117-V137 PolarHBondContact N-O 3.05Å; V117-V137 PolarHBondContact O-N 3.25Å; V117-F139 HydrophobicContact CG2-CD2 4.29Å
118	P	97.2	Very high	97	Very high	14 Å²	14	41.2 Å²	41.2	9%	0.091	23%	0.232	C	C	.	.			trans	-66.5	155.4	173.8	29.2	-34.4	0	0	0	110.9	Q36 E120 L121 A122	Q36-P118 WeakPolarHBondContact O-CB 3.28Å; Q36-P118 WeakPolarHBondContact O-CG 3.48Å; P118-E120 VanDerWaalsContact C-N 3.28Å; P118-E120 PolarHBondContact O-N 2.95Å; P118-E120 VanDerWaalsContact O-N 3.13Å; P118-L121 HydrophobicContact CG-CB 4.46Å; P118-L121 HydrophobicContact CG-CD1 4.23Å; P118-L121 HydrophobicContact CG-CG 4.4Å; P118-L121 PolarHBondContact O-N 3.32Å; P118-A122 PolarHBondContact O-N 2.83Å
119	S	96.8	Very high	96.8	Very high	11 Å²	11	44.8 Å²	44.8	8%	0.077	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-48.7	-44.6	-174	174	0	0	0	0	114.1	L121 A122 F123 G124 N134	S119-L121 PolarHBondContact O-N 2.99Å; S119-L121 VanDerWaalsContact O-N 3.15Å; S119-A122 CarbonylContact O-C 3.51Å; S119-A122 WeakPolarHBondContact O-CA 3.3Å; S119-A122 PolarHBondContact O-N 3.36Å; S119-F123 PolarHBondContact O-N 3.21Å; S119-G124 WeakPolarHBondContact O-CA 3.24Å; S119-G124 PolarHBondContact O-N 3.32Å; S119-G124 VanDerWaalsContact OG-C 3.23Å; S119-G124 VanDerWaalsContact OG-CA 3.22Å; S119-G124 WeakPolarHBondContact OG-CA 3.2Å; S119-G124 PolarHBondContact OG-N 3.08Å; S119-G124 PolarHBondContact OG-O 3.37Å; S119-G124 VanDerWaalsContact OG-O 3.13Å; S119-N134 VanDerWaalsContact OG-CA 3.24Å; S119-N134 WeakPolarHBondContact OG-CA 3.16Å
120	E	95.6	Very high	96.7	Very high	117 Å²	117	46.9 Å²	46.9	55%	0.547	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-61.2	-24.1	-178.3	-65.4	-54.9	132.6	0	0	114.1	P118	P118-E120 VanDerWaalsContact C-N 3.28Å; P118-E120 PolarHBondContact O-N 2.95Å; P118-E120 VanDerWaalsContact O-N 3.13Å
121	L	95.8	Very high	96.8	Very high	27 Å²	27	45.9 Å²	45.9	14%	0.141	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-102.3	1.1	175.7	-61.4	-179.1	0	0	0	112.7	D37 V39 R98 G99 V117 P118 S119	D37-L121 WeakPolarHBondContact O-CD1 3.34Å; V39-L121 HydrophobicContact CG2-CD1 3.6Å; R98-L121 HydrophobicContact CB-CB 4.49Å; R98-L121 HydrophobicContact CB-CD2 4.16Å; R98-L121 PolarHBondContact N-O 3.28Å; G99-L121 PolarHBondContact N-O 2.86Å; V117-L121 HydrophobicContact CG1-CB 3.7Å; P118-L121 HydrophobicContact CG-CB 4.46Å; P118-L121 HydrophobicContact CG-CD1 4.23Å; P118-L121 HydrophobicContact CG-CG 4.4Å; P118-L121 PolarHBondContact O-N 3.32Å; S119-L121 PolarHBondContact O-N 2.99Å; S119-L121 VanDerWaalsContact O-N 3.15Å
122	A	96.1	Very high	96.7	Very high	18 Å²	18	48.9 Å²	48.9	15%	0.149	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-102.1	178.8	0	0	0	0	0	112	I97 V117 P118 S119 V137	I97-A122 HydrophobicContact CD1-CB 3.94Å; V117-A122 HydrophobicContact CB-CB 4.38Å; V117-A122 HydrophobicContact CG1-CB 3.79Å; P118-A122 PolarHBondContact O-N 2.83Å; S119-A122 CarbonylContact O-C 3.51Å; S119-A122 WeakPolarHBondContact O-CA 3.3Å; S119-A122 PolarHBondContact O-N 3.36Å; A122-V137 HydrophobicContact CB-CG2 3.59Å
123	F	96.5	Very high	96.7	Very high	46 Å²	46	49 Å²	49	20%	0.202	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	1.2	-172.5	-56.6	-75.3	0	0	0	113.8	F75 I97 S119 G127 K128 V131 V137	F75-F123 HydrophobicContact CE2-CE2 4.21Å; F75-F123 HydrophobicContact CE2-CZ 4.33Å; F75-F123 HydrophobicContact CZ-CE2 4.08Å; I97-F123 HydrophobicContact CG2-CD1 4.48Å; I97-F123 HydrophobicContact CG2-CE1 4.01Å; I97-F123 HydrophobicContact CG2-CZ 4.25Å; S119-F123 PolarHBondContact O-N 3.21Å; F123-G127 PolarHBondContact O-N 2.86Å; F123-K128 HydrophobicContact CB-CB 4.4Å; F123-K128 HydrophobicContact CD1-CB 3.62Å; F123-K128 HydrophobicContact CD1-CD 3.92Å; F123-K128 HydrophobicContact CD1-CG 4.42Å; F123-K128 HydrophobicContact CE1-CB 4.17Å; F123-K128 HydrophobicContact CE1-CD 3.88Å; F123-K128 HydrophobicContact CG-CB 4.16Å; F123-V131 HydrophobicContact CB-CG1 4.46Å; F123-V131 HydrophobicContact CD2-CB 4.08Å; F123-V131 HydrophobicContact CD2-CG1 3.65Å; F123-V131 HydrophobicContact CD2-CG2 4.12Å; F123-V131 HydrophobicContact CE2-CB 4.41Å; F123-V131 HydrophobicContact CE2-CG1 4.25Å; F123-V131 HydrophobicContact CE2-CG2 3.93Å; F123-V131 HydrophobicContact CG-CG1 4.31Å; F123-V137 HydrophobicContact CD2-CG1 4.27Å; F123-V137 HydrophobicContact CE2-CG1 4.26Å; F123-V137 HydrophobicContact CE2-CG2 4.43Å
124	G	95.5	Very high	96.6	Very high	12 Å²	12	53.1 Å²	53.1	12%	0.124	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	61.7	-162.7	171	0	0	0	0	0	114.9	S119 T126 G127 N134	S119-G124 WeakPolarHBondContact O-CA 3.24Å; S119-G124 PolarHBondContact O-N 3.32Å; S119-G124 VanDerWaalsContact OG-C 3.23Å; S119-G124 VanDerWaalsContact OG-CA 3.22Å; S119-G124 WeakPolarHBondContact OG-CA 3.2Å; S119-G124 PolarHBondContact OG-N 3.08Å; S119-G124 PolarHBondContact OG-O 3.37Å; S119-G124 VanDerWaalsContact OG-O 3.13Å; G124-T126 PolarHBondContact O-N 3.12Å; G124-T126 VanDerWaalsContact O-N 3.17Å; G124-G127 PolarHBondContact O-N 3.2Å; G124-N134 PolarHBondContact O-N 2.91Å
125	P	96.9	Very high	96.5	Very high	81 Å²	81	50.6 Å²	50.6	53%	0.526	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-68.9	-13	-176.7	27.8	-36.1	0	0	0	114.1	P133 N134	P125-P133 VanDerWaalsContact O-CB 3.24Å; P125-P133 WeakPolarHBondContact O-CB 3.46Å; P125-N134 VanDerWaalsContact CA-OD1 3.28Å; P125-N134 WeakPolarHBondContact CA-OD1 3.25Å
126	T	96.2	Very high	96.5	Very high	122 Å²	122	52.5 Å²	52.5	75%	0.748	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-89.8	-28.2	179.1	-49	0	0	0	0	112.1	G124	G124-T126 PolarHBondContact O-N 3.12Å; G124-T126 VanDerWaalsContact O-N 3.17Å
127	G	96	Very high	96.5	Very high	13 Å²	13	51.5 Å²	51.5	13%	0.134	32%	0.317	C	S	.	.			trans	67.3	-170.9	-169	0	0	0	0	0	112.5	F123 G124 V131	F123-G127 PolarHBondContact O-N 2.86Å; G124-G127 PolarHBondContact O-N 3.2Å; G127-V131 WeakPolarHBondContact CA-O 3.08Å
128	K	96	Very high	96.6	Very high	145 Å²	145	52.2 Å²	52.2	63%	0.63	32%	0.321	S	S	*	.	B	Isolated β-bridge	trans	-160.8	120.6	176.9	-172.3	176.9	-179.9	178.8	0	112.1	F123 P130 V131	F123-K128 HydrophobicContact CB-CB 4.4Å; F123-K128 HydrophobicContact CD1-CB 3.62Å; F123-K128 HydrophobicContact CD1-CD 3.92Å; F123-K128 HydrophobicContact CD1-CG 4.42Å; F123-K128 HydrophobicContact CE1-CB 4.17Å; F123-K128 HydrophobicContact CE1-CD 3.88Å; F123-K128 HydrophobicContact CG-CB 4.16Å; K128-P130 WeakPolarHBondContact O-CD 3.13Å; K128-V131 PolarHBondContact N-O 3.04Å; K128-V131 WeakPolarHBondContact O-CB 3.33Å; K128-V131 PolarHBondContact O-N 3.3Å
129	G	94.2	Very high	96.6	Very high	78 Å²	78	51.8 Å²	51.8	80%	0.804	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	-118.4	176.4	0	0	0	0	0	111.4	V131	G129-V131 PolarHBondContact O-N 2.73Å
130	P	94.6	Very high	96.7	Very high	91 Å²	91	55.4 Å²	55.4	59%	0.591	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-12.4	176.8	30.4	-36.2	0	0	0	114.4	F75 K128 P132	F75-P130 HydrophobicContact CB-CB 4.11Å; F75-P130 HydrophobicContact CB-CG 3.79Å; K128-P130 WeakPolarHBondContact O-CD 3.13Å; P130-P132 WeakPolarHBondContact O-CD 3.33Å
131	V	97.1	Very high	96.8	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.03	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-88.7	118.1	-179	-174.9	0	0	0	0	110.5	L68 F75 F123 G127 K128 G129 A135 V137	L68-V131 HydrophobicContact CD2-CB 4.39Å; L68-V131 HydrophobicContact CD2-CG1 3.94Å; L68-V131 HydrophobicContact CD2-CG2 4.29Å; F75-V131 HydrophobicContact CB-CG2 4.22Å; F75-V131 HydrophobicContact CD1-CG2 3.84Å; F75-V131 HydrophobicContact CD2-CG2 3.57Å; F75-V131 HydrophobicContact CE1-CG2 4.03Å; F75-V131 HydrophobicContact CE2-CG2 3.82Å; F75-V131 HydrophobicContact CG-CG2 3.61Å; F75-V131 HydrophobicContact CZ-CG2 4.04Å; F123-V131 HydrophobicContact CB-CG1 4.46Å; F123-V131 HydrophobicContact CD2-CB 4.08Å; F123-V131 HydrophobicContact CD2-CG1 3.65Å; F123-V131 HydrophobicContact CD2-CG2 4.12Å; F123-V131 HydrophobicContact CE2-CB 4.41Å; F123-V131 HydrophobicContact CE2-CG1 4.25Å; F123-V131 HydrophobicContact CE2-CG2 3.93Å; F123-V131 HydrophobicContact CG-CG1 4.31Å; G127-V131 WeakPolarHBondContact CA-O 3.08Å; K128-V131 PolarHBondContact N-O 3.04Å; K128-V131 WeakPolarHBondContact O-CB 3.33Å; K128-V131 PolarHBondContact O-N 3.3Å; G129-V131 PolarHBondContact O-N 2.73Å; V131-A135 HydrophobicContact CG1-CB 3.87Å; V131-V137 HydrophobicContact CG1-CG1 3.87Å
132	P	97.3	Very high	96.9	Very high	62 Å²	62	50.3 Å²	50.3	40%	0.403	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-65.7	160.9	179.6	-21.1	33.5	0	0	0	113.7	L68 P130 A135	L68-P132 HydrophobicContact CD1-CG 4.38Å; P130-P132 WeakPolarHBondContact O-CD 3.33Å; P132-A135 HydrophobicContact CB-CB 4.43Å; P132-A135 VanDerWaalsContact O-CB 3.28Å; P132-A135 WeakPolarHBondContact O-CB 3.43Å; P132-A135 PolarHBondContact O-N 3.36Å
133	P	97.8	Very high	97	Very high	80 Å²	80	49.4 Å²	49.4	52%	0.519	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	138.6	162.6	-34.7	41.3	0	0	0	113.5	P125 A135	P125-P133 VanDerWaalsContact O-CB 3.24Å; P125-P133 WeakPolarHBondContact O-CB 3.46Å; P133-A135 PolarHBondContact O-N 3.14Å; P133-A135 VanDerWaalsContact O-N 3.12Å
134	N	96.6	Very high	97	Very high	102 Å²	102	50.7 Å²	50.7	55%	0.545	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	22.2	173.9	-59.2	-54.1	0	0	0	114.8	S119 G124 P125	S119-N134 VanDerWaalsContact OG-CA 3.24Å; S119-N134 WeakPolarHBondContact OG-CA 3.16Å; G124-N134 PolarHBondContact O-N 2.91Å; P125-N134 VanDerWaalsContact CA-OD1 3.28Å; P125-N134 WeakPolarHBondContact CA-OD1 3.25Å
135	A	97.3	Very high	97	Very high	18 Å²	18	52 Å²	52	15%	0.149	32%	0.318	C	S	.	.			trans	-82.7	129.6	-178.2	0	0	0	0	0	112.1	L68 V131 P132 P133	L68-A135 HydrophobicContact CD2-CB 4.39Å; V131-A135 HydrophobicContact CG1-CB 3.87Å; P132-A135 HydrophobicContact CB-CB 4.43Å; P132-A135 VanDerWaalsContact O-CB 3.28Å; P132-A135 WeakPolarHBondContact O-CB 3.43Å; P132-A135 PolarHBondContact O-N 3.36Å; P133-A135 PolarHBondContact O-N 3.14Å; P133-A135 VanDerWaalsContact O-N 3.12Å
136	T	97.9	Very high	96.9	Very high	40 Å²	40	49 Å²	49	25%	0.245	30%	0.298	C	S	.	.			trans	-72.8	135.8	161	-57.4	0	0	0	0	109.2	E69 T116 V117	E69-T136 HydrophobicContact CB-CG2 3.89Å; E69-T136 WeakPolarHBondContact CB-O 3.22Å; E69-T136 HydrophobicContact CG-CG2 4.15Å; E69-T136 PolarHBondContact N-O 3.12Å; E69-T136 VanDerWaalsContact N-O 3.07Å; T116-T136 HydrophobicContact CG2-CG2 3.69Å; V117-T136 WeakPolarHBondContact O-CG2 3.47Å
137	V	98.2	Very high	96.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	150.7	-178.3	-64.4	0	0	0	0	110.3	F67 L68 F75 V117 A122 F123 V131 F139	F67-V137 CarbonylContact O-C 3.57Å; F67-V137 WeakPolarHBondContact O-CA 3.45Å; L68-V137 HydrophobicContact CD2-CG1 4.18Å; F75-V137 HydrophobicContact CE1-CB 3.88Å; F75-V137 HydrophobicContact CE1-CG1 3.65Å; F75-V137 HydrophobicContact CZ-CB 4.15Å; F75-V137 HydrophobicContact CZ-CG1 4.03Å; V117-V137 HydrophobicContact CB-CG2 4.01Å; V117-V137 PolarHBondContact N-O 3.05Å; V117-V137 PolarHBondContact O-N 3.25Å; A122-V137 HydrophobicContact CB-CG2 3.59Å; F123-V137 HydrophobicContact CD2-CG1 4.27Å; F123-V137 HydrophobicContact CE2-CG1 4.26Å; F123-V137 HydrophobicContact CE2-CG2 4.43Å; V131-V137 HydrophobicContact CG1-CG1 3.87Å; V137-F139 HydrophobicContact CB-CE2 4.2Å; V137-F139 HydrophobicContact CG2-CD2 4.15Å; V137-F139 HydrophobicContact CG2-CE2 3.54Å; V137-F139 HydrophobicContact CG2-CZ 4.47Å
138	V	98.4	Very high	96.2	Very high	14 Å²	14	50.7 Å²	50.7	9%	0.085	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.9	178	177.8	0	0	0	0	107.8	F67 E69 K114 V115 T116	F67-V138 PolarHBondContact N-O 3.41Å; F67-V138 PolarHBondContact O-N 2.74Å; E69-V138 HydrophobicContact CB-CG2 3.99Å; E69-V138 HydrophobicContact CG-CG2 4.08Å; K114-V138 HydrophobicContact CD-CG1 4.15Å; K114-V138 HydrophobicContact CG-CG1 3.71Å; V115-V138 WeakPolarHBondContact O-CA 3.34Å; T116-V138 HydrophobicContact CG2-CG2 4.1Å
139	F	98.3	Very high	95.6	Very high	5 Å²	5	43.9 Å²	43.9	2%	0.022	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133	173.7	-74.3	-86	0	0	0	111.1	Y64 D65 F75 I97 L100 K114 V115 V117 V137 V141	Y64-F139 HydrophobicContact CD2-CD1 4.15Å; Y64-F139 HydrophobicContact CD2-CE1 4.1Å; D65-F139 CarbonylContact O-C 3.44Å; D65-F139 VanDerWaalsContact O-CA 3.28Å; D65-F139 WeakPolarHBondContact O-CA 3.41Å; F75-F139 HydrophobicContact CE2-CE1 4.34Å; F75-F139 HydrophobicContact CE2-CZ 4.12Å; F75-F139 HydrophobicContact CZ-CE1 4.02Å; F75-F139 HydrophobicContact CZ-CE2 4.24Å; F75-F139 AromaticContact CZ-CZ 3.61Å; F75-F139 HydrophobicContact CZ-CZ 3.61Å; I97-F139 HydrophobicContact CD1-CD2 4.22Å; I97-F139 HydrophobicContact CD1-CE2 3.41Å; I97-F139 VanDerWaalsContact CD1-CE2 3.41Å; I97-F139 HydrophobicContact CD1-CZ 3.97Å; L100-F139 HydrophobicContact CD1-CD1 4.09Å; L100-F139 HydrophobicContact CD1-CD2 4.32Å; L100-F139 HydrophobicContact CD1-CE1 4.12Å; L100-F139 HydrophobicContact CD1-CE2 4.35Å; L100-F139 HydrophobicContact CD1-CG 4.18Å; L100-F139 HydrophobicContact CD1-CZ 4.24Å; L100-F139 HydrophobicContact CD2-CB 3.73Å; L100-F139 HydrophobicContact CD2-CD1 4.4Å; L100-F139 HydrophobicContact CD2-CD2 4.04Å; L100-F139 HydrophobicContact CD2-CG 3.8Å; L100-F139 HydrophobicContact CG-CD2 4.14Å; L100-F139 HydrophobicContact CG-CE2 4.44Å; L100-F139 HydrophobicContact CG-CG 4.24Å; K114-F139 CarbonylContact C-O 3.55Å; K114-F139 WeakPolarHBondContact CA-O 2.98Å; V115-F139 HydrophobicContact CB-CB 4.46Å; V115-F139 PolarHBondContact N-O 2.93Å; V115-F139 PolarHBondContact O-N 3.38Å; V117-F139 HydrophobicContact CG2-CD2 4.29Å; V137-F139 HydrophobicContact CB-CE2 4.2Å; V137-F139 HydrophobicContact CG2-CD2 4.15Å; V137-F139 HydrophobicContact CG2-CE2 3.54Å; V137-F139 HydrophobicContact CG2-CZ 4.47Å; F139-V141 HydrophobicContact CB-CG1 4.1Å
140	E	98.1	Very high	94.6	Very high	88 Å²	88	43.9 Å²	43.9	41%	0.411	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118.8	163	-65.4	-172.6	175.2	0	0	107.9	Y64 D65 F67 R113	Y64-E140 VanDerWaalsContact CA-O 3.26Å; Y64-E140 WeakPolarHBondContact CA-O 3.41Å; D65-E140 PolarHBondContact N-O 2.82Å; D65-E140 PolarHBondContact O-N 2.68Å; F67-E140 HydrophobicContact CE2-CG 4.25Å; R113-E140 WeakPolarHBondContact O-CA 3.43Å
141	V	98	Very high	93.7	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.03	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.9	-175	-54.3	0	0	0	0	110.7	H63 L100 M104 M107 K112 R113 V115 F139	H63-V141 CarbonylContact O-C 3.51Å; H63-V141 WeakPolarHBondContact O-CA 3.23Å; L100-V141 HydrophobicContact CD2-CG1 3.76Å; M104-V141 HydrophobicContact CG-CG2 4.24Å; M104-V141 HydrophobicContact SD-CB 4.42Å; M104-V141 HydrophobicContact SD-CG1 4.34Å; M107-V141 HydrophobicContact CE-CG2 4.09Å; M107-V141 HydrophobicContact SD-CG2 4.1Å; K112-V141 CarbonylContact C-O 3.57Å; K112-V141 WeakPolarHBondContact CA-O 3.41Å; R113-V141 HydrophobicContact CB-CG2 3.75Å; R113-V141 PolarHBondContact N-O 3.12Å; R113-V141 PolarHBondContact O-N 3.06Å; V115-V141 HydrophobicContact CG2-CG2 4.15Å; F139-V141 HydrophobicContact CB-CG1 4.1Å
142	E	97.8	Very high	93	Very high	31 Å²	31	44.8 Å²	44.8	15%	0.145	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	113.1	171.4	176.5	179.8	-136.5	0	0	108.2	A62 H63 R79 E111 K112 L144	A62-E142 CarbonylContact C-O 3.57Å; A62-E142 WeakPolarHBondContact CA-O 3.31Å; A62-E142 WeakPolarHBondContact CB-O 3.45Å; H63-E142 HydrophobicContact CB-CB 4.43Å; H63-E142 PolarHBondContact N-O 2.85Å; H63-E142 PolarHBondContact O-N 2.87Å; R79-E142 IonicContact CZ-OE2 3.6Å; R79-E142 IonicContact NH1-OE2 3.77Å; R79-E142 IonicContact NH2-OE2 2.73Å; R79-E142 PolarHBondContact NH2-OE2 2.91Å; E111-E142 WeakPolarHBondContact O-CA 3.28Å; K112-E142 HydrophobicContact CD-CG 4.48Å; K112-E142 WeakPolarHBondContact CE-OE1 3.43Å; K112-E142 HydrophobicContact CG-CB 4.12Å; K112-E142 HydrophobicContact CG-CG 4.05Å; K112-E142 IonicContact NZ-OE1 3.97Å; K112-E142 PolarHBondContact NZ-OE1 3.35Å; E142-L144 HydrophobicContact CG-CD2 3.89Å
143	V	97.7	Very high	92.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125	175.5	171.6	0	0	0	0	108.2	I60 A62 M107 G110 E111 V146	I60-V143 HydrophobicContact CG2-CG1 3.86Å; I60-V143 HydrophobicContact CG2-CG2 4.08Å; A62-V143 HydrophobicContact CB-CG2 4.31Å; M107-V143 HydrophobicContact CB-CG2 4.08Å; M107-V143 HydrophobicContact CE-CB 4.07Å; M107-V143 HydrophobicContact CE-CG2 3.54Å; M107-V143 HydrophobicContact SD-CG2 3.67Å; G110-V143 WeakPolarHBondContact CA-O 3.22Å; G110-V143 PolarHBondContact N-O 3.31Å; E111-V143 PolarHBondContact O-N 3.25Å; V143-V146 HydrophobicContact CG1-CG2 3.58Å
144	L	96.3	Very high	91.5	Very high	72 Å²	72	45.1 Å²	45.1	38%	0.377	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-31.3	179.9	-60.5	179.8	0	0	0	112.5	N61 P86 E142	N61-L144 PolarHBondContact O-N 3.18Å; P86-L144 HydrophobicContact CB-CD1 3.57Å; P86-L144 HydrophobicContact CG-CD1 3.64Å; E142-L144 HydrophobicContact CG-CD2 3.89Å
145	S	95.8	Very high	90.9	Very high	41 Å²	41	40.7 Å²	40.7	29%	0.287	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	143.4	179.2	-174.6	0	0	0	0	111.1	I60 N61	I60-S145 WeakPolarHBondContact CA-O 3.44Å; N61-S145 PolarHBondContact N-O 3.43Å; N61-S145 PolarHBondContact O-N 3.17Å
146	V	95.4	Very high	90.5	Very high	18 Å²	18	40.2 Å²	40.2	11%	0.109	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	118.8	172.2	-176.1	0	0	0	0	107.3	R52 D58 V143	R52-V146 HydrophobicContact CG-CG1 4.15Å; D58-V146 HydrophobicContact CB-CG1 4.21Å; D58-V146 WeakPolarHBondContact OD2-CG1 3.37Å; V143-V146 HydrophobicContact CG1-CG2 3.58Å
147	S	91.1	Very high	90	Very high	42 Å²	42	40.4 Å²	40.4	29%	0.294	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	166.9	176.1	61.4	0	0	0	0	110.7	D58 L59 G149	D58-S147 WeakPolarHBondContact CA-O 3.33Å; D58-S147 WeakPolarHBondContact CB-O 3.48Å; L59-S147 PolarHBondContact N-O 2.87Å; L59-S147 PolarHBondContact O-N 2.9Å; L59-S147 PolarHBondContact O-OG 2.93Å; S147-G149 PolarHBondContact O-N 3.4Å
148	R	86.4	Confident	89.5	Confident	127 Å²	127	45.6 Å²	45.6	48%	0.479	24%	0.241	S	C	.	.			trans	-62.2	135.3	173.9	-70.7	-172.2	-173.4	-139.7	11.6	109.2	E154	R148-E154 WeakPolarHBondContact CD-OE2 3.45Å; R148-E154 IonicContact CZ-OE2 2.87Å; R148-E154 IonicContact NE-OE2 2.72Å; R148-E154 PolarHBondContact NE-OE2 3.08Å; R148-E154 IonicContact NH1-OE2 2.72Å; R148-E154 PolarHBondContact NH1-OE2 3.34Å; R148-E154 VanDerWaalsContact NH1-OE2 3.12Å; R148-E154 IonicContact NH2-OE2 2.77Å; R148-E154 PolarHBondContact NH2-OE2 3.05Å; R148-E154 VanDerWaalsContact NH2-OE2 3.14Å
149	G	83.6	Confident	89.2	Confident	3 Å²	3	45.4 Å²	45.4	3%	0.031	24%	0.239	C	C	.	.			trans	-68.9	165.8	177.1	0	0	0	0	0	113.6	G57 S147 R151 S152	G57-G149 WeakPolarHBondContact O-CA 3.24Å; G57-G149 PolarHBondContact O-N 3.04Å; S147-G149 PolarHBondContact O-N 3.4Å; G149-R151 PolarHBondContact O-N 3.2Å; G149-S152 PolarHBondContact O-N 3.41Å; G149-S152 VanDerWaalsContact O-N 3.12Å; G149-S152 PolarHBondContact O-OG 3.41Å
150	P	72.8	Confident	88.9	Confident	77 Å²	77	45.7 Å²	45.7	50%	0.5	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.4	-178	28.5	-36.3	0	0	0	114.1	V90 Y216	V90-P150 HydrophobicContact CG2-CG 4.16Å; P150-Y216 PolarHBondContact O-OH 3.48Å
151	R	76.7	Confident	88.6	Confident	96 Å²	96	47.3 Å²	47.3	36%	0.362	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	28.7	173.3	-57.7	-153.7	-151.6	102.6	2.3	113.8	G149 Y216 Y219	G149-R151 PolarHBondContact O-N 3.2Å; R151-Y216 VanDerWaalsContact C-CE1 3.45Å; R151-Y216 HydrophobicContact CB-CE1 4.06Å; R151-Y216 WeakPolarHBondContact O-CE1 3.4Å; R151-Y219 HydrophobicContact CB-CE2 4.49Å; R151-Y219 PolarHBondContact NH1-OH 2.94Å
152	S	80.6	Confident	88.4	Confident	19 Å²	19	52 Å²	52	13%	0.133	28%	0.277	C	S	.	.	S	Bend	trans	-75.3	152.6	173.7	68.1	0	0	0	0	111.5	G149 E154 A155 F156 Y216	G149-S152 PolarHBondContact O-N 3.41Å; G149-S152 VanDerWaalsContact O-N 3.12Å; G149-S152 PolarHBondContact O-OG 3.41Å; S152-E154 PolarHBondContact O-N 3.3Å; S152-E154 VanDerWaalsContact O-N 3.16Å; S152-A155 WeakPolarHBondContact O-CA 3.16Å; S152-A155 WeakPolarHBondContact O-CB 3.5Å; S152-A155 PolarHBondContact O-N 3.13Å; S152-A155 PolarHBondContact OG-N 3.17Å; S152-F156 PolarHBondContact O-N 3.42Å; S152-Y216 WeakPolarHBondContact O-CE1 3.11Å
153	M	82.9	Confident	88.1	Confident	60 Å²	60	58.6 Å²	58.6	30%	0.296	31%	0.305	S	S	.	.	H	α-helix	trans	-61.1	-23.3	174.5	-68.5	-51.9	-60.7	0	0	113.7	F156 G157 A213 N217 E220	M153-F156 HydrophobicContact CE-CB 4.26Å; M153-F156 HydrophobicContact CE-CD1 4.01Å; M153-F156 HydrophobicContact CE-CG 4.1Å; M153-F156 WeakPolarHBondContact O-CB 3.27Å; M153-F156 HydrophobicContact SD-CB 4.45Å; M153-G157 PolarHBondContact O-N 2.97Å; M153-A213 HydrophobicContact CE-CB 3.98Å; M153-N217 VanDerWaalsContact CG-ND2 3.26Å; M153-N217 WeakPolarHBondContact CG-ND2 3.43Å; M153-N217 HydrophobicContact SD-CB 3.75Å; M153-N217 PolarHBondContact SD-ND2 3.38Å; M153-E220 WeakPolarHBondContact CG-OE1 3.39Å; M153-E220 WeakPolarHBondContact CG-OE2 3.42Å
154	E	82.4	Confident	87.9	Confident	89 Å²	89	62.5 Å²	62.5	42%	0.416	33%	0.326	S	S	.	.	H	α-helix	trans	-68.9	-43.7	170.6	-176.5	-179.5	148.2	0	0	111.3	R148 S152 F156 G157 Q158	R148-E154 WeakPolarHBondContact CD-OE2 3.45Å; R148-E154 IonicContact CZ-OE2 2.87Å; R148-E154 IonicContact NE-OE2 2.72Å; R148-E154 PolarHBondContact NE-OE2 3.08Å; R148-E154 IonicContact NH1-OE2 2.72Å; R148-E154 PolarHBondContact NH1-OE2 3.34Å; R148-E154 VanDerWaalsContact NH1-OE2 3.12Å; R148-E154 IonicContact NH2-OE2 2.77Å; R148-E154 PolarHBondContact NH2-OE2 3.05Å; R148-E154 VanDerWaalsContact NH2-OE2 3.14Å; S152-E154 PolarHBondContact O-N 3.3Å; S152-E154 VanDerWaalsContact O-N 3.16Å; E154-F156 VanDerWaalsContact C-N 3.32Å; E154-G157 PolarHBondContact O-N 2.84Å; E154-Q158 WeakPolarHBondContact O-CG 3.26Å; E154-Q158 PolarHBondContact O-N 2.91Å; E154-Q158 VanDerWaalsContact O-N 3.17Å
155	A	83.8	Confident	87.7	Confident	10 Å²	10	67.5 Å²	67.5	8%	0.083	34%	0.34	C	S	.	.	H	α-helix	trans	-63.8	-40.5	174.1	0	0	0	0	0	111.1	S152 G157 Q158 I159	S152-A155 WeakPolarHBondContact O-CA 3.16Å; S152-A155 WeakPolarHBondContact O-CB 3.5Å; S152-A155 PolarHBondContact O-N 3.13Å; S152-A155 PolarHBondContact OG-N 3.17Å; A155-G157 PolarHBondContact O-N 2.95Å; A155-Q158 PolarHBondContact O-N 3.16Å; A155-Q158 VanDerWaalsContact O-N 3.12Å; A155-I159 VanDerWaalsContact O-CG1 3.3Å; A155-I159 WeakPolarHBondContact O-CG1 3.4Å; A155-I159 PolarHBondContact O-N 2.9Å
156	F	88.3	Confident	87.6	Confident	7 Å²	7	66.2 Å²	66.2	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-52.4	-53.3	172.3	-175.8	-87.6	0	0	0	111.3	S152 M153 E154 Q158 I159 D160 R165 L167 A213 Y216	S152-F156 PolarHBondContact O-N 3.42Å; M153-F156 HydrophobicContact CE-CB 4.26Å; M153-F156 HydrophobicContact CE-CD1 4.01Å; M153-F156 HydrophobicContact CE-CG 4.1Å; M153-F156 WeakPolarHBondContact O-CB 3.27Å; M153-F156 HydrophobicContact SD-CB 4.45Å; E154-F156 VanDerWaalsContact C-N 3.32Å; F156-Q158 PolarHBondContact O-N 3.28Å; F156-I159 PolarHBondContact O-N 3.12Å; F156-D160 HydrophobicContact CD1-CB 4.22Å; F156-D160 HydrophobicContact CE1-CB 3.91Å; F156-D160 WeakPolarHBondContact CE1-OD2 3.41Å; F156-D160 WeakPolarHBondContact O-CB 3.29Å; F156-D160 PolarHBondContact O-N 3.2Å; F156-R165 WeakPolarHBondContact CZ-O 3.48Å; F156-L167 HydrophobicContact CD2-CD1 3.69Å; F156-L167 HydrophobicContact CD2-CD2 4.09Å; F156-L167 HydrophobicContact CD2-CG 3.84Å; F156-L167 HydrophobicContact CE1-CD2 4.44Å; F156-L167 HydrophobicContact CE2-CD1 3.76Å; F156-L167 HydrophobicContact CE2-CD2 3.85Å; F156-L167 HydrophobicContact CE2-CG 3.43Å; F156-L167 VanDerWaalsContact CE2-CG 3.43Å; F156-L167 HydrophobicContact CZ-CD2 4Å; F156-L167 HydrophobicContact CZ-CG 3.97Å; F156-A213 HydrophobicContact CE1-CB 4.25Å; F156-A213 HydrophobicContact CE2-CB 4.24Å; F156-A213 HydrophobicContact CZ-CB 3.94Å; F156-Y216 HydrophobicContact CB-CD1 3.84Å; F156-Y216 HydrophobicContact CB-CE1 3.58Å; F156-Y216 AromaticContact CD2-CD1 3.53Å; F156-Y216 HydrophobicContact CD2-CD1 3.53Å; F156-Y216 AromaticContact CD2-CD2 3.87Å; F156-Y216 HydrophobicContact CD2-CD2 3.87Å; F156-Y216 AromaticContact CD2-CE1 3.99Å; F156-Y216 HydrophobicContact CD2-CE1 3.99Å; F156-Y216 HydrophobicContact CD2-CE2 4.29Å; F156-Y216 AromaticContact CD2-CG 3.43Å; F156-Y216 HydrophobicContact CD2-CG 3.43Å; F156-Y216 VanDerWaalsContact CD2-CG 3.43Å; F156-Y216 HydrophobicContact CE2-CD2 4.48Å; F156-Y216 HydrophobicContact CE2-CG 4.1Å; F156-Y216 HydrophobicContact CG-CD1 4.13Å; F156-Y216 HydrophobicContact CG-CE1 4.29Å; F156-Y216 HydrophobicContact CG-CG 4.44Å; F156-Y216 PolarHBondContact N-OH 3.32Å
157	G	88.1	Confident	87.6	Confident	45 Å²	45	65.4 Å²	65.4	46%	0.464	33%	0.326	S	S	.	.	H	α-helix	trans	-67.9	-13.9	-179.2	0	0	0	0	0	115.1	M153 E154 A155	M153-G157 PolarHBondContact O-N 2.97Å; E154-G157 PolarHBondContact O-N 2.84Å; A155-G157 PolarHBondContact O-N 2.95Å
158	Q	87.3	Confident	87.8	Confident	109 Å²	109	65.4 Å²	65.4	51%	0.509	32%	0.324	S	S	.	.	H	α-helix	trans	-83.4	-26.3	170.5	-69.2	174.7	26.3	0	0	112.2	E154 A155 F156	E154-Q158 WeakPolarHBondContact O-CG 3.26Å; E154-Q158 PolarHBondContact O-N 2.91Å; E154-Q158 VanDerWaalsContact O-N 3.17Å; A155-Q158 PolarHBondContact O-N 3.16Å; A155-Q158 VanDerWaalsContact O-N 3.12Å; F156-Q158 PolarHBondContact O-N 3.28Å
159	I	91.2	Very high	88.2	Confident	10 Å²	10	64.4 Å²	64.4	5%	0.051	32%	0.323	C	S	.	.	H	α-helix	trans	-88.7	-39.7	180	-56.6	162.9	0	0	0	110.4	A155 F156 L161 L167 E171 V172 Y175 Y216	A155-I159 VanDerWaalsContact O-CG1 3.3Å; A155-I159 WeakPolarHBondContact O-CG1 3.4Å; A155-I159 PolarHBondContact O-N 2.9Å; F156-I159 PolarHBondContact O-N 3.12Å; I159-L161 WeakPolarHBondContact O-CG 3.46Å; I159-L161 PolarHBondContact O-N 3.07Å; I159-L167 HydrophobicContact CB-CD1 4.42Å; I159-L167 HydrophobicContact CB-CD2 3.9Å; I159-L167 HydrophobicContact CD1-CD1 4.44Å; I159-L167 HydrophobicContact CG2-CD1 4.22Å; I159-L167 HydrophobicContact CG2-CD2 3.82Å; I159-E171 HydrophobicContact CG2-CB 4.1Å; I159-E171 WeakPolarHBondContact O-CB 3.49Å; I159-V172 HydrophobicContact CG2-CG2 4.14Å; I159-Y175 HydrophobicContact CD1-CD1 4.05Å; I159-Y175 HydrophobicContact CD1-CE1 4.25Å; I159-Y175 HydrophobicContact CD1-CG 4.21Å; I159-Y175 HydrophobicContact CG1-CD1 4Å; I159-Y175 HydrophobicContact CG1-CD2 3.72Å; I159-Y175 HydrophobicContact CG1-CE1 4.44Å; I159-Y175 HydrophobicContact CG1-CE2 4.17Å; I159-Y175 HydrophobicContact CG1-CG 3.63Å; I159-Y216 HydrophobicContact CD1-CE2 4.38Å
160	D	93.1	Very high	88.7	Confident	11 Å²	11	67.4 Å²	67.4	6%	0.059	35%	0.348	C	S	.	.			trans	-69	88.5	175.9	-179.1	2.6	0	0	0	109.9	F156 K163 D164 R165 L167	F156-D160 HydrophobicContact CD1-CB 4.22Å; F156-D160 HydrophobicContact CE1-CB 3.91Å; F156-D160 WeakPolarHBondContact CE1-OD2 3.41Å; F156-D160 WeakPolarHBondContact O-CB 3.29Å; F156-D160 PolarHBondContact O-N 3.2Å; D160-K163 WeakPolarHBondContact OD1-CA 3.43Å; D160-K163 PolarHBondContact OD1-N 3.05Å; D160-K163 WeakPolarHBondContact OD2-CA 3.46Å; D160-D164 PolarHBondContact OD1-N 3.11Å; D160-R165 VanDerWaalsContact OD2-CA 3.27Å; D160-R165 WeakPolarHBondContact OD2-CA 3.3Å; D160-R165 PolarHBondContact OD2-N 3Å; D160-L167 HydrophobicContact CB-CD2 3.7Å
161	L	91.3	Very high	89.8	Confident	121 Å²	121	64.4 Å²	64.4	63%	0.634	33%	0.327	S	S	*	.	S	Bend	trans	-78.4	-33.9	-170.5	-69	179.7	0	0	0	111.6	I159 E171	I159-L161 WeakPolarHBondContact O-CG 3.46Å; I159-L161 PolarHBondContact O-N 3.07Å; L161-E171 PolarHBondContact N-OE1 2.84Å
162	D	93.1	Very high	90.6	Very high	103 Å²	103	60.4 Å²	60.4	55%	0.551	31%	0.313	S	S	*	.	S	Bend	trans	-92.2	-7.1	179.8	69.9	14.2	0	0	0	113.6	D164	D162-D164 VanDerWaalsContact C-N 3.28Å; D162-D164 PolarHBondContact O-N 3.21Å; D162-D164 WeakPolarHBondContact OD1-CB 3.5Å; D162-D164 PolarHBondContact OD1-N 3.3Å; D162-D164 VanDerWaalsContact OD1-N 3.1Å
163	K	93.2	Very high	91.2	Very high	170 Å²	170	61.6 Å²	61.6	74%	0.739	32%	0.316	S	S	*	.			trans	65.5	28.8	175.1	-54.6	-179.9	-179.2	177.6	0	112.9	D160 R165	D160-K163 WeakPolarHBondContact OD1-CA 3.43Å; D160-K163 PolarHBondContact OD1-N 3.05Å; D160-K163 WeakPolarHBondContact OD2-CA 3.46Å; K163-R165 PolarHBondContact O-N 3.2Å
164	D	93.6	Very high	91.6	Very high	83 Å²	83	63.3 Å²	63.3	44%	0.444	32%	0.323	S	S	.	.	S	Bend	trans	-80.2	-1.9	178	81.7	-6	0	0	0	113.2	D160 D162 S166	D160-D164 PolarHBondContact OD1-N 3.11Å; D162-D164 VanDerWaalsContact C-N 3.28Å; D162-D164 PolarHBondContact O-N 3.21Å; D162-D164 WeakPolarHBondContact OD1-CB 3.5Å; D162-D164 PolarHBondContact OD1-N 3.3Å; D162-D164 VanDerWaalsContact OD1-N 3.1Å; D164-S166 VanDerWaalsContact C-N 3.3Å; D164-S166 WeakPolarHBondContact OD1-CA 3.27Å; D164-S166 WeakPolarHBondContact OD1-CB 3.47Å; D164-S166 PolarHBondContact OD1-N 3.19Å
165	R	91.4	Very high	92	Very high	177 Å²	177	61.9 Å²	61.9	67%	0.668	31%	0.314	S	S	*	.	S	Bend	trans	67.9	27.2	-177.7	-53.4	-178.9	59.9	178.7	-1.2	113.9	F156 D160 K163 A213	F156-R165 WeakPolarHBondContact CZ-O 3.48Å; D160-R165 VanDerWaalsContact OD2-CA 3.27Å; D160-R165 WeakPolarHBondContact OD2-CA 3.3Å; D160-R165 PolarHBondContact OD2-N 3Å; K163-R165 PolarHBondContact O-N 3.2Å; R165-A213 PolarHBondContact O-N 3.16Å
166	S	93.9	Very high	92.3	Very high	14 Å²	14	62.8 Å²	62.8	10%	0.098	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.4	175.2	-160.3	0	0	0	0	109.5	D164 Q210	D164-S166 VanDerWaalsContact C-N 3.3Å; D164-S166 WeakPolarHBondContact OD1-CA 3.27Å; D164-S166 WeakPolarHBondContact OD1-CB 3.47Å; D164-S166 PolarHBondContact OD1-N 3.19Å; S166-Q210 VanDerWaalsContact CB-OE1 3.3Å; S166-Q210 WeakPolarHBondContact OG-CB 3.42Å; S166-Q210 PolarHBondContact OG-OE1 3.3Å
167	L	94.6	Very high	92.4	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118	173	-55.2	-179.3	0	0	0	110.1	F156 I159 D160 V172 Q210 I211 Y216	F156-L167 HydrophobicContact CD2-CD1 3.69Å; F156-L167 HydrophobicContact CD2-CD2 4.09Å; F156-L167 HydrophobicContact CD2-CG 3.84Å; F156-L167 HydrophobicContact CE1-CD2 4.44Å; F156-L167 HydrophobicContact CE2-CD1 3.76Å; F156-L167 HydrophobicContact CE2-CD2 3.85Å; F156-L167 HydrophobicContact CE2-CG 3.43Å; F156-L167 VanDerWaalsContact CE2-CG 3.43Å; F156-L167 HydrophobicContact CZ-CD2 4Å; F156-L167 HydrophobicContact CZ-CG 3.97Å; I159-L167 HydrophobicContact CB-CD1 4.42Å; I159-L167 HydrophobicContact CB-CD2 3.9Å; I159-L167 HydrophobicContact CD1-CD1 4.44Å; I159-L167 HydrophobicContact CG2-CD1 4.22Å; I159-L167 HydrophobicContact CG2-CD2 3.82Å; D160-L167 HydrophobicContact CB-CD2 3.7Å; L167-V172 HydrophobicContact CB-CG2 3.9Å; L167-V172 HydrophobicContact CD1-CG2 4.32Å; L167-Q210 WeakPolarHBondContact O-CA 3.48Å; L167-I211 HydrophobicContact CB-CB 4.27Å; L167-I211 PolarHBondContact N-O 2.98Å; L167-I211 PolarHBondContact O-N 3.12Å; L167-Y216 HydrophobicContact CD1-CD2 3.48Å; L167-Y216 VanDerWaalsContact CD1-CD2 3.48Å; L167-Y216 HydrophobicContact CD1-CE2 3.56Å; L167-Y216 HydrophobicContact CD1-CG 4.36Å
168	T	95.9	Very high	92.4	Very high	41 Å²	41	66.2 Å²	66.2	25%	0.252	32%	0.323	S	S	.	.			trans	-83.1	159.9	172	66.7	0	0	0	0	111.3	A170 E171 V172	T168-A170 PolarHBondContact O-N 3.43Å; T168-E171 PolarHBondContact N-OE2 2.77Å; T168-E171 PolarHBondContact O-N 3.49Å; T168-E171 WeakPolarHBondContact OG1-CG 3.27Å; T168-E171 PolarHBondContact OG1-N 2.94Å; T168-E171 PolarHBondContact OG1-OE2 3.09Å; T168-V172 WeakPolarHBondContact O-CG2 3.35Å; T168-V172 PolarHBondContact O-N 2.88Å; T168-V172 VanDerWaalsContact O-N 3.12Å
169	K	94.6	Very high	92.3	Very high	106 Å²	106	64.8 Å²	64.8	46%	0.461	32%	0.316	S	S	.	.	H	α-helix	trans	-57.3	-31.1	173.1	-70.6	-179.3	-178.6	176.5	0	112.5	K173 F200	K169-K173 WeakPolarHBondContact O-CB 3.49Å; K169-K173 PolarHBondContact O-N 3.39Å; K169-F200 HydrophobicContact CB-CE2 4.32Å; K169-F200 HydrophobicContact CB-CZ 4.2Å; K169-F200 HydrophobicContact CG-CD1 3.99Å; K169-F200 HydrophobicContact CG-CD2 3.88Å; K169-F200 HydrophobicContact CG-CE1 3.69Å; K169-F200 HydrophobicContact CG-CE2 3.6Å; K169-F200 HydrophobicContact CG-CG 4.08Å; K169-F200 HydrophobicContact CG-CZ 3.51Å
170	A	94.8	Very high	92	Very high	66 Å²	66	67.8 Å²	67.8	55%	0.545	33%	0.328	S	S	.	.	H	α-helix	trans	-68	-47.5	-179.4	0	0	0	0	0	111.3	T168 K173 E174	T168-A170 PolarHBondContact O-N 3.43Å; A170-K173 WeakPolarHBondContact O-CB 3.37Å; A170-K173 PolarHBondContact O-N 2.96Å; A170-E174 PolarHBondContact O-N 3Å
171	E	94.5	Very high	91.8	Very high	15 Å²	15	72.7 Å²	72.7	7%	0.07	35%	0.35	C	S	.	.	H	α-helix	trans	-64.5	-47	178.5	-70.8	167.9	123.2	0	0	112.1	I159 L161 T168 K173 E174 Y175	I159-E171 HydrophobicContact CG2-CB 4.1Å; I159-E171 WeakPolarHBondContact O-CB 3.49Å; L161-E171 PolarHBondContact N-OE1 2.84Å; T168-E171 PolarHBondContact N-OE2 2.77Å; T168-E171 PolarHBondContact O-N 3.49Å; T168-E171 WeakPolarHBondContact OG1-CG 3.27Å; T168-E171 PolarHBondContact OG1-N 2.94Å; T168-E171 PolarHBondContact OG1-OE2 3.09Å; E171-K173 VanDerWaalsContact C-N 3.26Å; E171-K173 PolarHBondContact O-N 3.31Å; E171-E174 PolarHBondContact O-N 3.42Å; E171-Y175 PolarHBondContact O-N 2.72Å
172	V	93.1	Very high	91.5	Very high	11 Å²	11	74.4 Å²	74.4	7%	0.067	35%	0.353	C	S	.	.	H	α-helix	trans	-61.5	-39.1	176.9	-179.5	0	0	0	0	110.5	I159 L167 T168 L176 L196 I199 F200	I159-V172 HydrophobicContact CG2-CG2 4.14Å; L167-V172 HydrophobicContact CB-CG2 3.9Å; L167-V172 HydrophobicContact CD1-CG2 4.32Å; T168-V172 WeakPolarHBondContact O-CG2 3.35Å; T168-V172 PolarHBondContact O-N 2.88Å; T168-V172 VanDerWaalsContact O-N 3.12Å; V172-L176 HydrophobicContact CG1-CD1 4.19Å; V172-L176 VanDerWaalsContact O-CG 3.27Å; V172-L176 WeakPolarHBondContact O-CG 3.46Å; V172-L176 PolarHBondContact O-N 3.28Å; V172-L196 HydrophobicContact CB-CD2 3.84Å; V172-L196 HydrophobicContact CG1-CD2 3.59Å; V172-I199 HydrophobicContact CG1-CD1 4.19Å; V172-F200 HydrophobicContact CB-CE2 4.35Å; V172-F200 HydrophobicContact CG2-CE2 4.12Å; V172-F200 HydrophobicContact CG2-CZ 4.29Å
173	K	93.8	Very high	90.9	Very high	45 Å²	45	72.1 Å²	72.1	20%	0.196	35%	0.353	C	S	.	.	H	α-helix	trans	-62.9	-46.7	176.5	-176	159.4	58.9	178.3	0	111.8	K169 A170 E171 L176 K177 E189 E193 L196	K169-K173 WeakPolarHBondContact O-CB 3.49Å; K169-K173 PolarHBondContact O-N 3.39Å; A170-K173 WeakPolarHBondContact O-CB 3.37Å; A170-K173 PolarHBondContact O-N 2.96Å; E171-K173 VanDerWaalsContact C-N 3.26Å; E171-K173 PolarHBondContact O-N 3.31Å; K173-L176 PolarHBondContact O-N 3.3Å; K173-K177 HydrophobicContact CG-CD 4.28Å; K173-K177 WeakPolarHBondContact O-CG 3.06Å; K173-K177 PolarHBondContact O-N 2.79Å; K173-E189 WeakPolarHBondContact CD-OE1 3.27Å; K173-E189 WeakPolarHBondContact CE-OE1 3.39Å; K173-E189 IonicContact NZ-OE1 3.02Å; K173-E189 PolarHBondContact NZ-OE1 2.92Å; K173-E193 IonicContact NZ-OE1 3.05Å; K173-E193 PolarHBondContact NZ-OE1 3.32Å; K173-L196 HydrophobicContact CB-CD1 3.69Å; K173-L196 HydrophobicContact CB-CD2 4.36Å; K173-L196 HydrophobicContact CD-CD1 3.82Å; K173-L196 HydrophobicContact CG-CD1 3.99Å
174	E	92.5	Very high	90.5	Very high	96 Å²	96	66.9 Å²	66.9	45%	0.449	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-44.9	-178.6	-169.9	62.9	-169.5	0	0	111.1	A170 E171 L176 K177 L178	A170-E174 PolarHBondContact O-N 3Å; E171-E174 PolarHBondContact O-N 3.42Å; E174-L176 PolarHBondContact O-N 3.01Å; E174-K177 PolarHBondContact O-N 3.22Å; E174-L178 WeakPolarHBondContact O-CG 3.41Å; E174-L178 PolarHBondContact O-N 3.48Å
175	Y	90.4	Very high	90	Very high	58 Å²	58	69.5 Å²	69.5	23%	0.227	36%	0.355	C	S	.	.	H	α-helix	trans	-57.4	-47.6	173.7	174.8	-99	0	0	0	112.3	I159 E171 K177 L178 E179	I159-Y175 HydrophobicContact CD1-CD1 4.05Å; I159-Y175 HydrophobicContact CD1-CE1 4.25Å; I159-Y175 HydrophobicContact CD1-CG 4.21Å; I159-Y175 HydrophobicContact CG1-CD1 4Å; I159-Y175 HydrophobicContact CG1-CD2 3.72Å; I159-Y175 HydrophobicContact CG1-CE1 4.44Å; I159-Y175 HydrophobicContact CG1-CE2 4.17Å; I159-Y175 HydrophobicContact CG1-CG 3.63Å; E171-Y175 PolarHBondContact O-N 2.72Å; Y175-K177 PolarHBondContact O-N 2.86Å; Y175-L178 PolarHBondContact O-N 2.79Å; Y175-E179 HydrophobicContact CD1-CG 4.41Å; Y175-E179 HydrophobicContact CD2-CG 4.47Å; Y175-E179 HydrophobicContact CE1-CG 3.92Å; Y175-E179 HydrophobicContact CE2-CG 3.99Å; Y175-E179 WeakPolarHBondContact O-CG 3.33Å; Y175-E179 PolarHBondContact O-N 3.1Å
176	L	89.8	Confident	89.6	Confident	29 Å²	29	65.5 Å²	65.5	15%	0.152	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-43.5	178.4	-72.9	173.3	0	0	0	111.8	V172 K173 E174 L178 E179 Y180 Y192 I195 L196 I199	V172-L176 HydrophobicContact CG1-CD1 4.19Å; V172-L176 VanDerWaalsContact O-CG 3.27Å; V172-L176 WeakPolarHBondContact O-CG 3.46Å; V172-L176 PolarHBondContact O-N 3.28Å; K173-L176 PolarHBondContact O-N 3.3Å; E174-L176 PolarHBondContact O-N 3.01Å; L176-L178 PolarHBondContact O-N 3.18Å; L176-E179 PolarHBondContact O-N 2.87Å; L176-Y180 VanDerWaalsContact O-CD2 3.29Å; L176-Y180 WeakPolarHBondContact O-CD2 3.45Å; L176-Y180 PolarHBondContact O-N 2.89Å; L176-Y192 HydrophobicContact CB-CD1 4.17Å; L176-Y192 HydrophobicContact CB-CE1 4.19Å; L176-I195 HydrophobicContact CD1-CG2 3.8Å; L176-L196 HydrophobicContact CD1-CD2 4.28Å; L176-I199 HydrophobicContact CD1-CD1 4.17Å
177	K	90.1	Very high	89.4	Confident	47 Å²	47	70.7 Å²	70.7	20%	0.204	37%	0.369	C	S	.	.	H	α-helix	trans	-57	-49.9	176.8	-76.7	179.3	175.8	-173.1	0	111.1	K173 E174 Y175 E179 Y180 E181 E189 Y192	K173-K177 HydrophobicContact CG-CD 4.28Å; K173-K177 WeakPolarHBondContact O-CG 3.06Å; K173-K177 PolarHBondContact O-N 2.79Å; E174-K177 PolarHBondContact O-N 3.22Å; Y175-K177 PolarHBondContact O-N 2.86Å; K177-E179 VanDerWaalsContact C-N 3.33Å; K177-E179 PolarHBondContact O-N 2.7Å; K177-Y180 PolarHBondContact O-N 3.11Å; K177-E181 WeakPolarHBondContact O-CB 3.49Å; K177-E181 VanDerWaalsContact O-CG 3.3Å; K177-E181 WeakPolarHBondContact O-CG 3.44Å; K177-E181 PolarHBondContact O-N 2.93Å; K177-E189 WeakPolarHBondContact CE-OE2 3.32Å; K177-E189 IonicContact NZ-OE1 3.56Å; K177-E189 IonicContact NZ-OE2 2.77Å; K177-E189 PolarHBondContact NZ-OE2 3.28Å; K177-Y192 HydrophobicContact CD-CE2 4.46Å; K177-Y192 HydrophobicContact CG-CD1 4.47Å; K177-Y192 HydrophobicContact CG-CD2 4.21Å; K177-Y192 HydrophobicContact CG-CE1 4.04Å; K177-Y192 HydrophobicContact CG-CE2 3.73Å
178	L	88.2	Confident	89.2	Confident	78 Å²	78	75.2 Å²	75.2	41%	0.408	39%	0.394	S	S	.	.	H	α-helix	trans	-58.6	-42.7	178.3	-70	172.9	0	0	0	112.3	E174 Y175 L176 E181 K182	E174-L178 WeakPolarHBondContact O-CG 3.41Å; E174-L178 PolarHBondContact O-N 3.48Å; Y175-L178 PolarHBondContact O-N 2.79Å; L176-L178 PolarHBondContact O-N 3.18Å; L178-E181 PolarHBondContact O-N 2.87Å; L178-K182 WeakPolarHBondContact O-CB 3.09Å; L178-K182 VanDerWaalsContact O-CG 3.27Å; L178-K182 WeakPolarHBondContact O-CG 3.36Å; L178-K182 PolarHBondContact O-N 2.72Å
179	E	85.9	Confident	89	Confident	78 Å²	78	77.1 Å²	77.1	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-67.4	-40.8	179.4	-72	-60.8	113.7	0	0	112.8	Y175 L176 K177 K182 G183	Y175-E179 HydrophobicContact CD1-CG 4.41Å; Y175-E179 HydrophobicContact CD2-CG 4.47Å; Y175-E179 HydrophobicContact CE1-CG 3.92Å; Y175-E179 HydrophobicContact CE2-CG 3.99Å; Y175-E179 WeakPolarHBondContact O-CG 3.33Å; Y175-E179 PolarHBondContact O-N 3.1Å; L176-E179 PolarHBondContact O-N 2.87Å; K177-E179 VanDerWaalsContact C-N 3.33Å; K177-E179 PolarHBondContact O-N 2.7Å; E179-K182 IonicContact OE1-NZ 3.97Å; E179-K182 PolarHBondContact OE1-NZ 2.97Å; E179-G183 PolarHBondContact O-N 3.29Å; E179-G183 VanDerWaalsContact O-N 3.09Å
180	Y	85.3	Confident	88.9	Confident	73 Å²	73	76.2 Å²	76.2	29%	0.286	41%	0.405	S	S	.	.	H	α-helix	trans	-68.8	-35	176	-86.8	-80.3	0	0	0	112.9	L176 K177 G183 G184 K185 R187 F191 Y192	L176-Y180 VanDerWaalsContact O-CD2 3.29Å; L176-Y180 WeakPolarHBondContact O-CD2 3.45Å; L176-Y180 PolarHBondContact O-N 2.89Å; K177-Y180 PolarHBondContact O-N 3.11Å; Y180-G183 PolarHBondContact O-N 3.03Å; Y180-G184 PolarHBondContact O-N 3.01Å; Y180-K185 WeakPolarHBondContact CD1-O 3.22Å; Y180-K185 CarbonylContact O-C 3.59Å; Y180-K185 PolarHBondContact O-N 2.99Å; Y180-R187 HydrophobicContact CD1-CG 3.79Å; Y180-R187 HydrophobicContact CE1-CG 4.1Å; Y180-R187 HydrophobicContact CG-CG 4.15Å; Y180-F191 HydrophobicContact CE1-CE1 4.25Å; Y180-F191 HydrophobicContact CE1-CZ 4.28Å; Y180-F191 AromaticContact CE2-CE1 3.95Å; Y180-F191 HydrophobicContact CE2-CE1 3.95Å; Y180-F191 HydrophobicContact CE2-CZ 4.47Å; Y180-F191 AromaticContact CZ-CE1 3.76Å; Y180-F191 AromaticContact CZ-CZ 3.87Å; Y180-Y192 AromaticContact CD2-CE1 3.94Å; Y180-Y192 HydrophobicContact CD2-CE1 3.94Å; Y180-Y192 HydrophobicContact CE2-CE1 4.48Å
181	E	88.4	Confident	88.8	Confident	115 Å²	115	75.9 Å²	75.9	54%	0.537	39%	0.391	S	S	.	.	H	α-helix	trans	-67.2	-46	174.6	-75	176.4	-178.5	0	0	111.8	K177 L178 G183 G184	K177-E181 WeakPolarHBondContact O-CB 3.49Å; K177-E181 VanDerWaalsContact O-CG 3.3Å; K177-E181 WeakPolarHBondContact O-CG 3.44Å; K177-E181 PolarHBondContact O-N 2.93Å; L178-E181 PolarHBondContact O-N 2.87Å; E181-G183 PolarHBondContact O-N 3.37Å; E181-G184 PolarHBondContact O-N 3.32Å
182	K	85.1	Confident	88.5	Confident	157 Å²	157	75.4 Å²	75.4	68%	0.683	39%	0.389	S	S	*	.	H	α-helix	trans	-56.8	-37.2	172.5	-74.3	174.3	-167.9	167.1	0	112	L178 E179 G184	L178-K182 WeakPolarHBondContact O-CB 3.09Å; L178-K182 VanDerWaalsContact O-CG 3.27Å; L178-K182 WeakPolarHBondContact O-CG 3.36Å; L178-K182 PolarHBondContact O-N 2.72Å; E179-K182 IonicContact OE1-NZ 3.97Å; E179-K182 PolarHBondContact OE1-NZ 2.97Å; K182-G184 PolarHBondContact O-N 3.03Å
183	G	79.9	Confident	88.5	Confident	54 Å²	54	79.1 Å²	79.1	56%	0.557	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	0	175.2	0	0	0	0	0	115.1	E179 Y180 E181 K185	E179-G183 PolarHBondContact O-N 3.29Å; E179-G183 VanDerWaalsContact O-N 3.09Å; Y180-G183 PolarHBondContact O-N 3.03Å; E181-G183 PolarHBondContact O-N 3.37Å; G183-K185 PolarHBondContact O-N 3.47Å
184	G	84.3	Confident	88.4	Confident	61 Å²	61	84.9 Å²	84.9	63%	0.629	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	20.5	-179.4	0	0	0	0	0	114.2	Y180 E181 K182	Y180-G184 PolarHBondContact O-N 3.01Å; E181-G184 PolarHBondContact O-N 3.32Å; K182-G184 PolarHBondContact O-N 3.03Å
185	K	83.3	Confident	88.3	Confident	138 Å²	138	82.3 Å²	82.3	60%	0.6	42%	0.42	S	S	*	.			trans	-131.4	66.3	-177	-66.9	179.9	-176.1	174.3	0	110.5	Y180 G183	Y180-K185 WeakPolarHBondContact CD1-O 3.22Å; Y180-K185 CarbonylContact O-C 3.59Å; Y180-K185 PolarHBondContact O-N 2.99Å; G183-K185 PolarHBondContact O-N 3.47Å
186	P	83.4	Confident	88.3	Confident	93 Å²	93	79.7 Å²	79.7	60%	0.604	41%	0.409	S	S	*	.			trans	-58.7	147.7	176.9	27.1	-34.8	0	0	0	110.7
187	R	89.3	Confident	88.4	Confident	122 Å²	122	81 Å²	81	46%	0.46	42%	0.424	S	S	.	.			trans	-122.7	162.6	-178.5	-58.6	-65.7	-173.1	169.6	2.6	110.9	Y180 F191 Y192	Y180-R187 HydrophobicContact CD1-CG 3.79Å; Y180-R187 HydrophobicContact CE1-CG 4.1Å; Y180-R187 HydrophobicContact CG-CG 4.15Å; R187-F191 HydrophobicContact CB-CB 4.3Å; R187-F191 HydrophobicContact CB-CD1 3.42Å; R187-F191 VanDerWaalsContact CB-CD1 3.42Å; R187-F191 HydrophobicContact CB-CE1 3.89Å; R187-F191 HydrophobicContact CB-CG 3.99Å; R187-F191 HydrophobicContact CG-CD1 3.66Å; R187-F191 HydrophobicContact CG-CE1 3.57Å; R187-F191 HydrophobicContact CG-CG 4.3Å; R187-F191 HydrophobicContact CG-CZ 4.15Å; R187-Y192 HydrophobicContact CB-CE1 4.33Å; R187-Y192 HydrophobicContact CB-CE2 3.93Å; R187-Y192 PolarHBondContact N-OH 2.95Å; R187-Y192 VanDerWaalsContact O-CE2 3.32Å; R187-Y192 WeakPolarHBondContact O-CE2 3.43Å
188	D	90.9	Very high	88.4	Confident	97 Å²	97	82.4 Å²	82.4	52%	0.519	43%	0.434	S	S	.	.			trans	-83.6	159.1	179.3	61.3	-44.2	0	0	0	112.4	P190 F191 Y192	D188-P190 WeakPolarHBondContact OD2-CD 3.47Å; D188-F191 WeakPolarHBondContact O-CB 3.39Å; D188-F191 PolarHBondContact O-N 3.44Å; D188-F191 VanDerWaalsContact O-N 3.17Å; D188-F191 WeakPolarHBondContact OD1-CB 3.29Å; D188-Y192 VanDerWaalsContact O-CD2 3.25Å; D188-Y192 WeakPolarHBondContact O-CD2 3.3Å
189	E	90.9	Very high	88.5	Confident	80 Å²	80	81 Å²	81	37%	0.374	43%	0.426	S	S	.	.	H	α-helix	trans	-56.2	-44.7	-177.2	-159.2	70.3	-165.1	0	0	113.8	K173 K177 F191 Y192 E193	K173-E189 WeakPolarHBondContact CD-OE1 3.27Å; K173-E189 WeakPolarHBondContact CE-OE1 3.39Å; K173-E189 IonicContact NZ-OE1 3.02Å; K173-E189 PolarHBondContact NZ-OE1 2.92Å; K177-E189 WeakPolarHBondContact CE-OE2 3.32Å; K177-E189 IonicContact NZ-OE1 3.56Å; K177-E189 IonicContact NZ-OE2 2.77Å; K177-E189 PolarHBondContact NZ-OE2 3.28Å; E189-F191 PolarHBondContact O-N 3.02Å; E189-Y192 PolarHBondContact O-N 3.43Å; E189-Y192 VanDerWaalsContact O-N 3.08Å; E189-E193 PolarHBondContact O-N 3.29Å
190	P	93.4	Very high	88.8	Confident	88 Å²	88	77.6 Å²	77.6	57%	0.571	41%	0.411	S	S	*	.	H	α-helix	trans	-59.2	-31.3	178.5	-24.7	34.7	0	0	0	114.2	D188 K194	D188-P190 WeakPolarHBondContact OD2-CD 3.47Å; P190-K194 PolarHBondContact O-N 2.99Å; P190-K194 VanDerWaalsContact O-N 3.13Å
191	F	91.6	Very high	89.1	Confident	59 Å²	59	83.2 Å²	83.2	26%	0.259	43%	0.431	S	S	.	.	H	α-helix	trans	-64.3	-45.5	175.7	171.9	-92.3	0	0	0	111.2	Y180 R187 D188 E189 K194 I195	Y180-F191 HydrophobicContact CE1-CE1 4.25Å; Y180-F191 HydrophobicContact CE1-CZ 4.28Å; Y180-F191 AromaticContact CE2-CE1 3.95Å; Y180-F191 HydrophobicContact CE2-CE1 3.95Å; Y180-F191 HydrophobicContact CE2-CZ 4.47Å; Y180-F191 AromaticContact CZ-CE1 3.76Å; Y180-F191 AromaticContact CZ-CZ 3.87Å; R187-F191 HydrophobicContact CB-CB 4.3Å; R187-F191 HydrophobicContact CB-CD1 3.42Å; R187-F191 VanDerWaalsContact CB-CD1 3.42Å; R187-F191 HydrophobicContact CB-CE1 3.89Å; R187-F191 HydrophobicContact CB-CG 3.99Å; R187-F191 HydrophobicContact CG-CD1 3.66Å; R187-F191 HydrophobicContact CG-CE1 3.57Å; R187-F191 HydrophobicContact CG-CG 4.3Å; R187-F191 HydrophobicContact CG-CZ 4.15Å; D188-F191 WeakPolarHBondContact O-CB 3.39Å; D188-F191 PolarHBondContact O-N 3.44Å; D188-F191 VanDerWaalsContact O-N 3.17Å; D188-F191 WeakPolarHBondContact OD1-CB 3.29Å; E189-F191 PolarHBondContact O-N 3.02Å; F191-K194 PolarHBondContact O-N 3.27Å; F191-I195 HydrophobicContact CD1-CD1 3.88Å; F191-I195 HydrophobicContact CE1-CD1 3.24Å; F191-I195 HydrophobicContact CE1-CG1 4.44Å; F191-I195 HydrophobicContact CE2-CD1 3.99Å; F191-I195 HydrophobicContact CG-CD1 4.49Å; F191-I195 HydrophobicContact CZ-CD1 3.32Å; F191-I195 HydrophobicContact CZ-CG1 4.47Å; F191-I195 WeakPolarHBondContact O-CG1 3.45Å; F191-I195 PolarHBondContact O-N 3.35Å; F191-I195 VanDerWaalsContact O-N 3.14Å
192	Y	89.9	Confident	89	Confident	4 Å²	4	84 Å²	84	2%	0.016	43%	0.433	C	S	.	.	H	α-helix	trans	-66.3	-43.4	177.7	-63.3	-66.2	0	0	0	111.8	L176 K177 Y180 R187 D188 E189 K194 I195 L196	L176-Y192 HydrophobicContact CB-CD1 4.17Å; L176-Y192 HydrophobicContact CB-CE1 4.19Å; K177-Y192 HydrophobicContact CD-CE2 4.46Å; K177-Y192 HydrophobicContact CG-CD1 4.47Å; K177-Y192 HydrophobicContact CG-CD2 4.21Å; K177-Y192 HydrophobicContact CG-CE1 4.04Å; K177-Y192 HydrophobicContact CG-CE2 3.73Å; Y180-Y192 AromaticContact CD2-CE1 3.94Å; Y180-Y192 HydrophobicContact CD2-CE1 3.94Å; Y180-Y192 HydrophobicContact CE2-CE1 4.48Å; R187-Y192 HydrophobicContact CB-CE1 4.33Å; R187-Y192 HydrophobicContact CB-CE2 3.93Å; R187-Y192 PolarHBondContact N-OH 2.95Å; R187-Y192 VanDerWaalsContact O-CE2 3.32Å; R187-Y192 WeakPolarHBondContact O-CE2 3.43Å; D188-Y192 VanDerWaalsContact O-CD2 3.25Å; D188-Y192 WeakPolarHBondContact O-CD2 3.3Å; E189-Y192 PolarHBondContact O-N 3.43Å; E189-Y192 VanDerWaalsContact O-N 3.08Å; Y192-K194 VanDerWaalsContact C-N 3.27Å; Y192-K194 PolarHBondContact O-N 3.47Å; Y192-I195 PolarHBondContact O-N 3.32Å; Y192-I195 VanDerWaalsContact O-N 3.11Å; Y192-L196 WeakPolarHBondContact O-CB 3.39Å; Y192-L196 VanDerWaalsContact O-CG 3.22Å; Y192-L196 WeakPolarHBondContact O-CG 3.41Å; Y192-L196 PolarHBondContact O-N 2.8Å
193	E	91.9	Very high	89.1	Confident	90 Å²	90	77.3 Å²	77.3	42%	0.421	41%	0.406	S	S	.	.	H	α-helix	trans	-58.9	-39.5	178	-68.2	-59.2	145.7	0	0	111.9	K173 E189 A197	K173-E193 IonicContact NZ-OE1 3.05Å; K173-E193 PolarHBondContact NZ-OE1 3.32Å; E189-E193 PolarHBondContact O-N 3.29Å; E193-A197 VanDerWaalsContact O-CB 3.31Å; E193-A197 WeakPolarHBondContact O-CB 3.34Å; E193-A197 PolarHBondContact O-N 3.13Å
194	K	92.6	Very high	89.7	Confident	165 Å²	165	75.8 Å²	75.8	72%	0.717	39%	0.385	S	S	*	.	H	α-helix	trans	-64.8	-42.7	175	-174.8	178.1	179.6	179.2	0	112.6	P190 F191 Y192 D198	P190-K194 PolarHBondContact O-N 2.99Å; P190-K194 VanDerWaalsContact O-N 3.13Å; F191-K194 PolarHBondContact O-N 3.27Å; Y192-K194 VanDerWaalsContact C-N 3.27Å; Y192-K194 PolarHBondContact O-N 3.47Å; K194-D198 PolarHBondContact O-N 2.73Å
195	I	89.6	Confident	89.9	Confident	43 Å²	43	79.8 Å²	79.8	22%	0.221	39%	0.387	C	S	.	.	H	α-helix	trans	-65.8	-46.8	177.8	-72.3	178.1	0	0	0	110.5	L176 F191 Y192 A197 D198 I199	L176-I195 HydrophobicContact CD1-CG2 3.8Å; F191-I195 HydrophobicContact CD1-CD1 3.88Å; F191-I195 HydrophobicContact CE1-CD1 3.24Å; F191-I195 HydrophobicContact CE1-CG1 4.44Å; F191-I195 HydrophobicContact CE2-CD1 3.99Å; F191-I195 HydrophobicContact CG-CD1 4.49Å; F191-I195 HydrophobicContact CZ-CD1 3.32Å; F191-I195 HydrophobicContact CZ-CG1 4.47Å; F191-I195 WeakPolarHBondContact O-CG1 3.45Å; F191-I195 PolarHBondContact O-N 3.35Å; F191-I195 VanDerWaalsContact O-N 3.14Å; Y192-I195 PolarHBondContact O-N 3.32Å; Y192-I195 VanDerWaalsContact O-N 3.11Å; I195-A197 VanDerWaalsContact C-N 3.31Å; I195-A197 PolarHBondContact O-N 2.78Å; I195-D198 PolarHBondContact O-N 3.22Å; I195-D198 VanDerWaalsContact O-N 3.16Å; I195-I199 HydrophobicContact CG2-CD1 3.54Å; I195-I199 HydrophobicContact CG2-CG1 4.15Å; I195-I199 VanDerWaalsContact O-CG1 3.32Å; I195-I199 WeakPolarHBondContact O-CG1 3.13Å; I195-I199 PolarHBondContact O-N 2.71Å
196	L	91.6	Very high	90.4	Very high	2 Å²	2	78 Å²	78	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-61	-42.2	179.1	-68.8	164.9	0	0	0	111.3	V172 K173 L176 Y192 D198 I199 F200	V172-L196 HydrophobicContact CB-CD2 3.84Å; V172-L196 HydrophobicContact CG1-CD2 3.59Å; K173-L196 HydrophobicContact CB-CD1 3.69Å; K173-L196 HydrophobicContact CB-CD2 4.36Å; K173-L196 HydrophobicContact CD-CD1 3.82Å; K173-L196 HydrophobicContact CG-CD1 3.99Å; L176-L196 HydrophobicContact CD1-CD2 4.28Å; Y192-L196 WeakPolarHBondContact O-CB 3.39Å; Y192-L196 VanDerWaalsContact O-CG 3.22Å; Y192-L196 WeakPolarHBondContact O-CG 3.41Å; Y192-L196 PolarHBondContact O-N 2.8Å; L196-D198 VanDerWaalsContact C-N 3.32Å; L196-D198 PolarHBondContact O-N 3.13Å; L196-I199 PolarHBondContact O-N 2.96Å; L196-F200 HydrophobicContact CD2-CE2 4.43Å; L196-F200 WeakPolarHBondContact O-CB 3.33Å; L196-F200 WeakPolarHBondContact O-CD2 3.19Å; L196-F200 PolarHBondContact O-N 2.86Å
197	A	91.5	Very high	90.8	Very high	57 Å²	57	82.9 Å²	82.9	47%	0.471	39%	0.391	S	S	.	.	H	α-helix	trans	-57.5	-44.7	175.1	0	0	0	0	0	111.8	E193 I195 W201	E193-A197 VanDerWaalsContact O-CB 3.31Å; E193-A197 WeakPolarHBondContact O-CB 3.34Å; E193-A197 PolarHBondContact O-N 3.13Å; I195-A197 VanDerWaalsContact C-N 3.31Å; I195-A197 PolarHBondContact O-N 2.78Å; A197-W201 WeakPolarHBondContact O-CB 3.03Å; A197-W201 PolarHBondContact O-N 3.18Å
198	D	90.3	Very high	91	Very high	77 Å²	77	81.1 Å²	81.1	41%	0.412	39%	0.39	S	S	.	.	H	α-helix	trans	-68.6	-40.9	177.8	-173.8	65.5	0	0	0	112.7	K194 I195 L196 K202	K194-D198 PolarHBondContact O-N 2.73Å; I195-D198 PolarHBondContact O-N 3.22Å; I195-D198 VanDerWaalsContact O-N 3.16Å; L196-D198 VanDerWaalsContact C-N 3.32Å; L196-D198 PolarHBondContact O-N 3.13Å; D198-K202 WeakPolarHBondContact O-CB 3.47Å; D198-K202 WeakPolarHBondContact O-CG 3.47Å; D198-K202 PolarHBondContact O-N 3.29Å; D198-K202 WeakPolarHBondContact OD1-CE 3.2Å; D198-K202 IonicContact OD1-NZ 3.72Å; D198-K202 PolarHBondContact OD1-NZ 2.84Å; D198-K202 IonicContact OD2-NZ 3.47Å; D198-K202 PolarHBondContact OD2-NZ 3.33Å
199	I	89.8	Confident	91.1	Very high	47 Å²	47	78.1 Å²	78.1	24%	0.241	38%	0.383	C	S	.	.	H	α-helix	trans	-60.2	-54.7	177.9	-70.8	170.2	0	0	0	110.1	V172 L176 I195 L196 K202 S203 I211	V172-I199 HydrophobicContact CG1-CD1 4.19Å; L176-I199 HydrophobicContact CD1-CD1 4.17Å; I195-I199 HydrophobicContact CG2-CD1 3.54Å; I195-I199 HydrophobicContact CG2-CG1 4.15Å; I195-I199 VanDerWaalsContact O-CG1 3.32Å; I195-I199 WeakPolarHBondContact O-CG1 3.13Å; I195-I199 PolarHBondContact O-N 2.71Å; L196-I199 PolarHBondContact O-N 2.96Å; I199-K202 PolarHBondContact O-N 2.84Å; I199-S203 VanDerWaalsContact O-CB 3.22Å; I199-S203 WeakPolarHBondContact O-CB 3.4Å; I199-S203 PolarHBondContact O-N 3.29Å; I199-S203 PolarHBondContact O-OG 3.12Å; I199-I211 HydrophobicContact CG2-CD1 3.77Å
200	F	92.5	Very high	91.2	Very high	8 Å²	8	77.3 Å²	77.3	4%	0.035	38%	0.379	C	S	.	.	H	α-helix	trans	-67.5	-43.2	-176.8	-82.6	-106.9	0	0	0	110.5	K169 V172 L196 K202 S203 D204 G209 I211	K169-F200 HydrophobicContact CB-CE2 4.32Å; K169-F200 HydrophobicContact CB-CZ 4.2Å; K169-F200 HydrophobicContact CG-CD1 3.99Å; K169-F200 HydrophobicContact CG-CD2 3.88Å; K169-F200 HydrophobicContact CG-CE1 3.69Å; K169-F200 HydrophobicContact CG-CE2 3.6Å; K169-F200 HydrophobicContact CG-CG 4.08Å; K169-F200 HydrophobicContact CG-CZ 3.51Å; V172-F200 HydrophobicContact CB-CE2 4.35Å; V172-F200 HydrophobicContact CG2-CE2 4.12Å; V172-F200 HydrophobicContact CG2-CZ 4.29Å; L196-F200 HydrophobicContact CD2-CE2 4.43Å; L196-F200 WeakPolarHBondContact O-CB 3.33Å; L196-F200 WeakPolarHBondContact O-CD2 3.19Å; L196-F200 PolarHBondContact O-N 2.86Å; F200-K202 PolarHBondContact O-N 3.08Å; F200-K202 VanDerWaalsContact O-N 3.08Å; F200-S203 PolarHBondContact O-N 3.18Å; F200-S203 VanDerWaalsContact O-N 3.11Å; F200-D204 HydrophobicContact CD1-CB 4.39Å; F200-D204 WeakPolarHBondContact O-CB 3.4Å; F200-D204 PolarHBondContact O-N 2.97Å; F200-G209 VanDerWaalsContact CE1-O 3.31Å; F200-G209 WeakPolarHBondContact CE1-O 3.43Å; F200-I211 HydrophobicContact CD1-CD1 4.19Å; F200-I211 HydrophobicContact CD1-CG1 3.97Å; F200-I211 HydrophobicContact CD2-CD1 3.95Å; F200-I211 HydrophobicContact CE1-CD1 4.05Å; F200-I211 HydrophobicContact CE1-CG1 3.77Å; F200-I211 HydrophobicContact CE2-CD1 3.77Å; F200-I211 HydrophobicContact CE2-CG1 4.41Å; F200-I211 HydrophobicContact CG-CD1 4.14Å; F200-I211 HydrophobicContact CG-CG1 4.39Å; F200-I211 HydrophobicContact CZ-CD1 3.81Å; F200-I211 HydrophobicContact CZ-CG1 3.98Å
201	W	90.1	Very high	91.2	Very high	190 Å²	190	73.3 Å²	73.3	72%	0.72	35%	0.353	S	S	*	.	H	α-helix	trans	-53.8	-34.6	175.8	174.4	-101.5	0	0	0	114	A197	A197-W201 WeakPolarHBondContact O-CB 3.03Å; A197-W201 PolarHBondContact O-N 3.18Å
202	K	87.2	Confident	91.2	Very high	133 Å²	133	72.1 Å²	72.1	58%	0.578	35%	0.351	S	S	*	.	H	α-helix	trans	-89	-25	-179.3	-72.2	172.9	178.7	161.5	0	114	D198 I199 F200	D198-K202 WeakPolarHBondContact O-CB 3.47Å; D198-K202 WeakPolarHBondContact O-CG 3.47Å; D198-K202 PolarHBondContact O-N 3.29Å; D198-K202 WeakPolarHBondContact OD1-CE 3.2Å; D198-K202 IonicContact OD1-NZ 3.72Å; D198-K202 PolarHBondContact OD1-NZ 2.84Å; D198-K202 IonicContact OD2-NZ 3.47Å; D198-K202 PolarHBondContact OD2-NZ 3.33Å; I199-K202 PolarHBondContact O-N 2.84Å; F200-K202 PolarHBondContact O-N 3.08Å; F200-K202 VanDerWaalsContact O-N 3.08Å
203	S	88.1	Confident	91.1	Very high	15 Å²	15	72.5 Å²	72.5	11%	0.105	36%	0.355	C	S	.	.	H	α-helix	trans	-111.4	-37.7	-165.6	-43.8	0	0	0	0	112.6	I199 F200 Q205 E215	I199-S203 VanDerWaalsContact O-CB 3.22Å; I199-S203 WeakPolarHBondContact O-CB 3.4Å; I199-S203 PolarHBondContact O-N 3.29Å; I199-S203 PolarHBondContact O-OG 3.12Å; F200-S203 PolarHBondContact O-N 3.18Å; F200-S203 VanDerWaalsContact O-N 3.11Å; S203-Q205 PolarHBondContact O-N 2.88Å; S203-Q205 VanDerWaalsContact O-N 3.13Å; S203-E215 WeakPolarHBondContact O-CB 3.34Å
204	D	90.9	Very high	90.9	Very high	22 Å²	22	76.9 Å²	76.9	12%	0.118	37%	0.373	C	S	.	.			trans	-74.9	95.1	175.6	177.5	2.1	0	0	0	108.8	F200 R207 D208 G209 Q210	F200-D204 HydrophobicContact CD1-CB 4.39Å; F200-D204 WeakPolarHBondContact O-CB 3.4Å; F200-D204 PolarHBondContact O-N 2.97Å; D204-R207 WeakPolarHBondContact OD1-CA 3.34Å; D204-R207 PolarHBondContact OD1-N 2.94Å; D204-R207 WeakPolarHBondContact OD2-CA 3.07Å; D204-D208 PolarHBondContact OD1-N 3.31Å; D204-G209 VanDerWaalsContact OD2-CA 3.32Å; D204-G209 WeakPolarHBondContact OD2-CA 3.22Å; D204-G209 PolarHBondContact OD2-N 3.35Å; D204-Q210 WeakPolarHBondContact CB-O 3.25Å
205	Q	90.1	Very high	90.6	Very high	145 Å²	145	69.6 Å²	69.6	68%	0.678	34%	0.342	S	S	*	.	S	Bend	trans	-83.2	-35.7	-173.2	-68.1	-176.3	6.4	0	0	111.6	S203 E215	S203-Q205 PolarHBondContact O-N 2.88Å; S203-Q205 VanDerWaalsContact O-N 3.13Å; Q205-E215 HydrophobicContact CB-CG 4.41Å; Q205-E215 HydrophobicContact CG-CG 4.44Å; Q205-E215 PolarHBondContact N-OE1 3.14Å
206	D	92.3	Very high	90.4	Very high	102 Å²	102	68.4 Å²	68.4	55%	0.545	34%	0.335	S	S	.	.	S	Bend	trans	-90	-7	-179.8	66.8	18.9	0	0	0	113.8	D208 E215	D206-D208 VanDerWaalsContact C-N 3.31Å; D206-D208 WeakPolarHBondContact OD1-CB 3.49Å; D206-D208 VanDerWaalsContact OD1-CG 3.23Å; D206-D208 PolarHBondContact OD1-N 3.41Å; D206-D208 VanDerWaalsContact OD1-N 3.13Å; D206-E215 PolarHBondContact N-OE1 3.3Å
207	R	92.4	Very high	89.5	Confident	194 Å²	194	69.1 Å²	69.1	73%	0.732	34%	0.338	S	S	*	.			trans	64.7	32.1	176.3	-54.9	-174.8	180	-178.3	0.5	113	D204 G209	D204-R207 WeakPolarHBondContact OD1-CA 3.34Å; D204-R207 PolarHBondContact OD1-N 2.94Å; D204-R207 WeakPolarHBondContact OD2-CA 3.07Å; R207-G209 PolarHBondContact O-N 3.23Å
208	D	93.1	Very high	88.3	Confident	85 Å²	85	70.4 Å²	70.4	46%	0.455	34%	0.336	S	S	.	.	S	Bend	trans	-80	-5.2	176.4	80.6	-4.7	0	0	0	113.2	D204 D206 Q210	D204-D208 PolarHBondContact OD1-N 3.31Å; D206-D208 VanDerWaalsContact C-N 3.31Å; D206-D208 WeakPolarHBondContact OD1-CB 3.49Å; D206-D208 VanDerWaalsContact OD1-CG 3.23Å; D206-D208 PolarHBondContact OD1-N 3.41Å; D206-D208 VanDerWaalsContact OD1-N 3.13Å; D208-Q210 VanDerWaalsContact C-N 3.35Å; D208-Q210 WeakPolarHBondContact OD1-CA 3.49Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.16Å; D208-Q210 PolarHBondContact OD1-N 2.95Å
209	G	92.9	Very high	86.8	Confident	35 Å²	35	69 Å²	69	36%	0.361	33%	0.326	S	S	.	.	S	Bend	trans	86	7.3	178.7	0	0	0	0	0	114	F200 D204 R207	F200-G209 VanDerWaalsContact CE1-O 3.31Å; F200-G209 WeakPolarHBondContact CE1-O 3.43Å; D204-G209 VanDerWaalsContact OD2-CA 3.32Å; D204-G209 WeakPolarHBondContact OD2-CA 3.22Å; D204-G209 PolarHBondContact OD2-N 3.35Å; R207-G209 PolarHBondContact O-N 3.23Å
210	Q	94.1	Very high	85.1	Confident	63 Å²	63	69.8 Å²	69.8	29%	0.294	33%	0.328	S	S	.	.	S	Bend	trans	-125.8	172	177.3	-53.1	-178.4	56.7	0	0	110	S166 L167 D204 D208	S166-Q210 VanDerWaalsContact CB-OE1 3.3Å; S166-Q210 WeakPolarHBondContact OG-CB 3.42Å; S166-Q210 PolarHBondContact OG-OE1 3.3Å; L167-Q210 WeakPolarHBondContact O-CA 3.48Å; D204-Q210 WeakPolarHBondContact CB-O 3.25Å; D208-Q210 VanDerWaalsContact C-N 3.35Å; D208-Q210 WeakPolarHBondContact OD1-CA 3.49Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.16Å; D208-Q210 PolarHBondContact OD1-N 2.95Å
211	I	92.5	Very high	83.1	Confident	4 Å²	4	80.2 Å²	80.2	2%	0.021	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	102.5	172.9	-57.5	169.9	0	0	0	107	L167 I199 F200 E215 Y216	L167-I211 HydrophobicContact CB-CB 4.27Å; L167-I211 PolarHBondContact N-O 2.98Å; L167-I211 PolarHBondContact O-N 3.12Å; I199-I211 HydrophobicContact CG2-CD1 3.77Å; F200-I211 HydrophobicContact CD1-CD1 4.19Å; F200-I211 HydrophobicContact CD1-CG1 3.97Å; F200-I211 HydrophobicContact CD2-CD1 3.95Å; F200-I211 HydrophobicContact CE1-CD1 4.05Å; F200-I211 HydrophobicContact CE1-CG1 3.77Å; F200-I211 HydrophobicContact CE2-CD1 3.77Å; F200-I211 HydrophobicContact CE2-CG1 4.41Å; F200-I211 HydrophobicContact CG-CD1 4.14Å; F200-I211 HydrophobicContact CG-CG1 4.39Å; F200-I211 HydrophobicContact CZ-CD1 3.81Å; F200-I211 HydrophobicContact CZ-CG1 3.98Å; I211-E215 HydrophobicContact CG2-CB 3.94Å; I211-Y216 HydrophobicContact CG2-CD2 4.36Å
212	S	92.1	Very high	80.7	Confident	33 Å²	33	77.2 Å²	77.2	23%	0.231	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	159	176.4	66.9	0	0	0	0	111.4	K214 E215 Y216	S212-K214 PolarHBondContact O-N 2.82Å; S212-E215 WeakPolarHBondContact CB-OE2 3.49Å; S212-E215 PolarHBondContact N-OE2 2.94Å; S212-E215 PolarHBondContact O-N 3.42Å; S212-E215 WeakPolarHBondContact OG-CG 3.46Å; S212-E215 PolarHBondContact OG-N 3.11Å; S212-E215 PolarHBondContact OG-OE2 3.42Å; S212-Y216 WeakPolarHBondContact O-CB 3.32Å; S212-Y216 PolarHBondContact O-N 3.03Å
213	A	88.6	Confident	78.4	Confident	12 Å²	12	76.2 Å²	76.2	10%	0.099	36%	0.363	C	S	.	.	H	α-helix	trans	-50.6	-33.8	172.5	0	0	0	0	0	113.5	M153 F156 R165 N217	M153-A213 HydrophobicContact CE-CB 3.98Å; F156-A213 HydrophobicContact CE1-CB 4.25Å; F156-A213 HydrophobicContact CE2-CB 4.24Å; F156-A213 HydrophobicContact CZ-CB 3.94Å; R165-A213 PolarHBondContact O-N 3.16Å; A213-N217 WeakPolarHBondContact O-CB 3.33Å; A213-N217 PolarHBondContact O-N 3.23Å; A213-N217 VanDerWaalsContact O-N 3.11Å
214	K	86.1	Confident	75.9	Confident	183 Å²	183	86.6 Å²	86.6	80%	0.796	42%	0.416	S	S	*	.	H	α-helix	trans	-71.8	-38.2	179.2	-175.9	-178.4	175.6	-172.5	0	112.4	S212	S212-K214 PolarHBondContact O-N 2.82Å
215	E	87.4	Confident	75.1	Confident	11 Å²	11	89.9 Å²	89.9	5%	0.051	43%	0.431	C	S	.	.	H	α-helix	trans	-75.9	-36.4	177.9	-74.4	166.8	130.9	0	0	112.1	S203 Q205 D206 I211 S212 I218	S203-E215 WeakPolarHBondContact O-CB 3.34Å; Q205-E215 HydrophobicContact CB-CG 4.41Å; Q205-E215 HydrophobicContact CG-CG 4.44Å; Q205-E215 PolarHBondContact N-OE1 3.14Å; D206-E215 PolarHBondContact N-OE1 3.3Å; I211-E215 HydrophobicContact CG2-CB 3.94Å; S212-E215 WeakPolarHBondContact CB-OE2 3.49Å; S212-E215 PolarHBondContact N-OE2 2.94Å; S212-E215 PolarHBondContact O-N 3.42Å; S212-E215 WeakPolarHBondContact OG-CG 3.46Å; S212-E215 PolarHBondContact OG-N 3.11Å; S212-E215 PolarHBondContact OG-OE2 3.42Å; E215-I218 WeakPolarHBondContact O-CG1 3.31Å
216	Y	84.4	Confident	74.4	Confident	19 Å²	19	86.9 Å²	86.9	8%	0.075	42%	0.418	C	S	.	.	H	α-helix	trans	-64.1	-44.7	176.1	-173.6	-95	0	0	0	111.8	P150 R151 S152 F156 I159 L167 I211 S212 I218	P150-Y216 PolarHBondContact O-OH 3.48Å; R151-Y216 VanDerWaalsContact C-CE1 3.45Å; R151-Y216 HydrophobicContact CB-CE1 4.06Å; R151-Y216 WeakPolarHBondContact O-CE1 3.4Å; S152-Y216 WeakPolarHBondContact O-CE1 3.11Å; F156-Y216 HydrophobicContact CB-CD1 3.84Å; F156-Y216 HydrophobicContact CB-CE1 3.58Å; F156-Y216 AromaticContact CD2-CD1 3.53Å; F156-Y216 HydrophobicContact CD2-CD1 3.53Å; F156-Y216 AromaticContact CD2-CD2 3.87Å; F156-Y216 HydrophobicContact CD2-CD2 3.87Å; F156-Y216 AromaticContact CD2-CE1 3.99Å; F156-Y216 HydrophobicContact CD2-CE1 3.99Å; F156-Y216 HydrophobicContact CD2-CE2 4.29Å; F156-Y216 AromaticContact CD2-CG 3.43Å; F156-Y216 HydrophobicContact CD2-CG 3.43Å; F156-Y216 VanDerWaalsContact CD2-CG 3.43Å; F156-Y216 HydrophobicContact CE2-CD2 4.48Å; F156-Y216 HydrophobicContact CE2-CG 4.1Å; F156-Y216 HydrophobicContact CG-CD1 4.13Å; F156-Y216 HydrophobicContact CG-CE1 4.29Å; F156-Y216 HydrophobicContact CG-CG 4.44Å; F156-Y216 PolarHBondContact N-OH 3.32Å; I159-Y216 HydrophobicContact CD1-CE2 4.38Å; L167-Y216 HydrophobicContact CD1-CD2 3.48Å; L167-Y216 VanDerWaalsContact CD1-CD2 3.48Å; L167-Y216 HydrophobicContact CD1-CE2 3.56Å; L167-Y216 HydrophobicContact CD1-CG 4.36Å; I211-Y216 HydrophobicContact CG2-CD2 4.36Å; S212-Y216 WeakPolarHBondContact O-CB 3.32Å; S212-Y216 PolarHBondContact O-N 3.03Å; Y216-I218 PolarHBondContact O-N 3.49Å
217	N	73.5	Confident	73.4	Confident	16 Å²	16	86.1 Å²	86.1	9%	0.086	41%	0.411	C	S	.	.			trans	-96.1	79.1	-176.1	-156.8	-19.1	0	0	0	113.6	M153 A213 Y219 E220	M153-N217 VanDerWaalsContact CG-ND2 3.26Å; M153-N217 WeakPolarHBondContact CG-ND2 3.43Å; M153-N217 HydrophobicContact SD-CB 3.75Å; M153-N217 PolarHBondContact SD-ND2 3.38Å; A213-N217 WeakPolarHBondContact O-CB 3.33Å; A213-N217 PolarHBondContact O-N 3.23Å; A213-N217 VanDerWaalsContact O-N 3.11Å; N217-Y219 PolarHBondContact O-N 2.98Å; N217-Y219 PolarHBondContact OD1-N 2.72Å; N217-Y219 VanDerWaalsContact OD1-N 3.13Å; N217-E220 VanDerWaalsContact ND2-CB 3.27Å; N217-E220 WeakPolarHBondContact ND2-CB 3.31Å; N217-E220 WeakPolarHBondContact ND2-CG 3.42Å; N217-E220 PolarHBondContact ND2-OE1 3.05Å; N217-E220 VanDerWaalsContact ND2-OE1 3.08Å; N217-E220 PolarHBondContact ND2-OE2 3.08Å; N217-E220 PolarHBondContact OD1-N 2.77Å
218	I	66.3	Low	72.2	Confident	84 Å²	84	79.8 Å²	79.8	43%	0.431	39%	0.392	S	S	.	.	S	Bend	trans	-68.9	-14.1	176.4	-50	172.4	0	0	0	111.5	E215 Y216	E215-I218 WeakPolarHBondContact O-CG1 3.31Å; Y216-I218 PolarHBondContact O-N 3.49Å
219	Y	58.3	Low	70.9	Confident	48 Å²	48	79.4 Å²	79.4	19%	0.188	39%	0.388	C	S	.	.	S	Bend	trans	-104.6	-26.3	-169	-53.2	-55.6	0	0	0	114.6	V93 R151 N217 R221	V93-Y219 HydrophobicContact CB-CE1 3.93Å; V93-Y219 WeakPolarHBondContact CB-OH 3.32Å; V93-Y219 HydrophobicContact CG1-CD1 4.07Å; V93-Y219 HydrophobicContact CG1-CE1 3.31Å; V93-Y219 HydrophobicContact CG1-CE2 4Å; V93-Y219 VanDerWaalsContact CG1-OH 3.29Å; V93-Y219 WeakPolarHBondContact CG1-OH 3.43Å; R151-Y219 HydrophobicContact CB-CE2 4.49Å; R151-Y219 PolarHBondContact NH1-OH 2.94Å; N217-Y219 PolarHBondContact O-N 2.98Å; N217-Y219 PolarHBondContact OD1-N 2.72Å; N217-Y219 VanDerWaalsContact OD1-N 3.13Å; Y219-R221 VanDerWaalsContact C-N 3.28Å; Y219-R221 PolarHBondContact O-N 3.01Å
220	E	55.6	Low	69.5	Low	63 Å²	63	82.4 Å²	82.4	29%	0.294	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-85.6	18.6	177.9	-77.8	176.4	-156.7	0	0	114.3	M153 N217 D222 E223	M153-E220 WeakPolarHBondContact CG-OE1 3.39Å; M153-E220 WeakPolarHBondContact CG-OE2 3.42Å; N217-E220 VanDerWaalsContact ND2-CB 3.27Å; N217-E220 WeakPolarHBondContact ND2-CB 3.31Å; N217-E220 WeakPolarHBondContact ND2-CG 3.42Å; N217-E220 PolarHBondContact ND2-OE1 3.05Å; N217-E220 VanDerWaalsContact ND2-OE1 3.08Å; N217-E220 PolarHBondContact ND2-OE2 3.08Å; N217-E220 PolarHBondContact OD1-N 2.77Å; E220-D222 PolarHBondContact O-N 3.2Å; E220-E223 HydrophobicContact CB-CB 4.25Å; E220-E223 HydrophobicContact CG-CB 4.09Å; E220-E223 HydrophobicContact CG-CG 4.27Å; E220-E223 PolarHBondContact O-N 3.13Å
221	R	49.2	Very low	67.7	Low	227 Å²	227	83.8 Å²	83.8	86%	0.857	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-60.2	-6.8	165.7	-142	-157.5	-74	-124.8	3.5	112.7	Y219	Y219-R221 VanDerWaalsContact C-N 3.28Å; Y219-R221 PolarHBondContact O-N 3.01Å
222	D	39.8	Very low	65.8	Low	127 Å²	127	89.9 Å²	89.9	68%	0.679	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-107.3	-1.9	178	-55.7	-33.7	0	0	0	114	K56 E220	K56-D222 IonicContact NZ-OD2 2.68Å; E220-D222 PolarHBondContact O-N 3.2Å
223	E	39.2	Very low	63.6	Low	113 Å²	113	94.7 Å²	94.7	53%	0.528	44%	0.442	S	S	.	.			trans	-113.3	19	-179.6	-65.8	-165.6	-179.4	0	0	114	K55 E220	K55-E223 IonicContact NZ-OE1 2.74Å; K55-E223 PolarHBondContact NZ-OE1 3.17Å; K55-E223 IonicContact NZ-OE2 3.12Å; E220-E223 HydrophobicContact CB-CB 4.25Å; E220-E223 HydrophobicContact CG-CB 4.09Å; E220-E223 HydrophobicContact CG-CG 4.27Å; E220-E223 PolarHBondContact O-N 3.13Å
224	L	35.2	Very low	61.3	Low	233 Å²	233	102.2 Å²	102.2	100%	1.22	47%	0.473	S	S	*	.			trans	-119.6	0	170.2	-72.6	175.3	0	0	0	112.6

Retrieved 224 of 224 residues in 321.8 ms (Link to these results)

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