A0A087XHQ2_POEFO Loading...

Cell cycle control protein

AlphaFold DB , UniProt , Accession A0A087XHQ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 373 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	38.1	Very low	38	Very low	247 Å²	247	163.4 Å²	163.4	100%	1.217	87%	0.874	S	S	*	*				0	106.4	0	-68.5	177.9	-168.3	0	0	107.3
2	M	30.7	Very low	38.1	Very low	197 Å²	197	163.8 Å²	163.8	97%	0.97	88%	0.877	S	S	*	*			trans	-108.8	98.9	168.4	-76.5	-115.7	-130.7	0	0	106.3	S4	M2-S4 PolarHBondContact O-N 3.29Å
3	A	33.6	Very low	38.2	Very low	100 Å²	100	156.7 Å²	156.7	83%	0.826	87%	0.866	S	S	*	*			trans	-74.7	106.8	163	0	0	0	0	0	106.1	S5	A3-S5 PolarHBondContact O-N 3.22Å
4	S	33.9	Very low	38	Very low	102 Å²	102	158.6 Å²	158.6	71%	0.713	86%	0.864	S	S	*	*			trans	-68.3	103.5	167.1	-173.4	0	0	0	0	107	M2 Y6	M2-S4 PolarHBondContact O-N 3.29Å; S4-Y6 PolarHBondContact O-N 2.81Å
5	S	38.4	Very low	38	Very low	113 Å²	113	160.5 Å²	160.5	79%	0.79	87%	0.865	S	S	*	*			trans	-65.1	100.9	171.5	48.4	0	0	0	0	109	A3	A3-S5 PolarHBondContact O-N 3.22Å
6	Y	43.3	Very low	37.8	Very low	218 Å²	218	157.3 Å²	157.3	86%	0.855	86%	0.858	S	S	*	*			trans	-82.2	118.2	164.3	-114.5	-93.6	0	0	0	108.5	S4 A8	S4-Y6 PolarHBondContact O-N 2.81Å; Y6-A8 PolarHBondContact O-N 2.94Å
7	N	35.7	Very low	37.6	Very low	156 Å²	156	153.1 Å²	153.1	83%	0.834	86%	0.86	S	S	*	*			trans	-68.1	114.4	172.8	-99.3	-37.1	0	0	0	109.1	K9	N7-K9 PolarHBondContact O-N 3.21Å; N7-K9 VanDerWaalsContact O-N 3.14Å
8	A	40.8	Very low	37.3	Very low	103 Å²	103	149.8 Å²	149.8	85%	0.851	85%	0.849	S	S	*	*			trans	-79.8	84.7	168.9	0	0	0	0	0	109.4	Y6	Y6-A8 PolarHBondContact O-N 2.94Å
9	K	40.4	Very low	37.4	Very low	188 Å²	188	148.2 Å²	148.2	82%	0.817	85%	0.848	S	S	*	*			trans	-145.3	132.1	162.1	-102.5	179.9	175.8	177.9	0	106	N7	N7-K9 PolarHBondContact O-N 3.21Å; N7-K9 VanDerWaalsContact O-N 3.14Å
10	E	42.4	Very low	37.2	Very low	196 Å²	196	147.3 Å²	147.3	92%	0.916	85%	0.845	S	S	*	*	S	Bend	trans	86.7	110.7	-167.5	-54	174	176.7	0	0	111
11	E	41.1	Very low	37.5	Very low	177 Å²	177	149.7 Å²	149.7	83%	0.827	85%	0.849	S	S	*	*			cis	-149.7	113.5	15.9	-66.7	174.4	119.7	0	0	108.4	G13	E11-G13 PolarHBondContact O-N 3.19Å
12	D	38.5	Very low	37.5	Very low	169 Å²	169	141.9 Å²	141.9	90%	0.904	83%	0.831	S	S	*	*			trans	-89.8	83.9	156.4	-79.6	-38.2	0	0	0	107.4	H14	D12-H14 PolarHBondContact O-N 3.32Å
13	G	39.8	Very low	37.7	Very low	71 Å²	71	136.3 Å²	136.3	73%	0.732	82%	0.824	S	S	*	*			trans	-67.7	81.3	165.6	0	0	0	0	0	109.9	E11 H15	E11-G13 PolarHBondContact O-N 3.19Å; G13-H15 PolarHBondContact O-N 2.69Å
14	H	35.5	Very low	38.2	Very low	183 Å²	183	138.8 Å²	138.8	85%	0.847	83%	0.829	S	S	*	*			trans	-61.1	101.4	166.6	-105	-18.5	0	0	0	109.2	D12 S16	D12-H14 PolarHBondContact O-N 3.32Å; H14-S16 PolarHBondContact O-N 3.45Å
15	H	38.1	Very low	39.2	Very low	188 Å²	188	137.7 Å²	137.7	87%	0.87	83%	0.834	S	S	*	*			trans	-83.4	104.5	154.4	-85.9	-55.6	0	0	0	108.4	G13 G17	G13-H15 PolarHBondContact O-N 2.69Å; H15-G17 PolarHBondContact O-N 3.01Å
16	S	34.3	Very low	40.1	Very low	108 Å²	108	136.6 Å²	136.6	76%	0.755	83%	0.832	S	S	*	*			trans	-57.1	112.6	166.9	41.9	0	0	0	0	110	H14 S18	H14-S16 PolarHBondContact O-N 3.45Å; S16-S18 PolarHBondContact O-N 3.01Å
17	G	35.4	Very low	40.6	Very low	86 Å²	86	132 Å²	132	89%	0.887	83%	0.829	S	S	*	*			trans	-71.3	81.3	164	0	0	0	0	0	109.9	H15	H15-G17 PolarHBondContact O-N 3.01Å
18	S	31.9	Very low	41.9	Very low	95 Å²	95	134.3 Å²	134.3	66%	0.664	83%	0.831	S	S	*	*			trans	-90.6	102.4	162.5	153.3	0	0	0	0	107.9	S16 T20	S16-S18 PolarHBondContact O-N 3.01Å; S18-T20 PolarHBondContact O-N 3.21Å
19	S	39.3	Very low	43.2	Very low	119 Å²	119	135.7 Å²	135.7	83%	0.832	83%	0.825	S	S	*	*			trans	-73	107	166.5	46.6	0	0	0	0	109.7
20	T	33.8	Very low	45.1	Very low	129 Å²	129	136.5 Å²	136.5	79%	0.791	83%	0.828	S	S	*	*			trans	-147.4	139.3	157.9	-14.3	0	0	0	0	110.6	S18	S18-T20 PolarHBondContact O-N 3.21Å
21	H	42	Very low	46.9	Very low	199 Å²	199	134 Å²	134	92%	0.921	81%	0.814	S	S	*	*			trans	-59.6	151.4	-171.4	-80.9	-41.7	0	0	0	115.8
22	G	38.6	Very low	48.9	Very low	83 Å²	83	129.9 Å²	129.9	86%	0.856	80%	0.803	S	S	*	*			trans	114.6	115.6	148.3	0	0	0	0	0	114.7
23	G	34.5	Very low	51.2	Low	79 Å²	79	126.2 Å²	126.2	81%	0.814	78%	0.783	S	S	*	*			trans	142.5	112.9	163.6	0	0	0	0	0	114.9
24	T	45.6	Very low	53.5	Low	153 Å²	153	128.1 Å²	128.1	94%	0.939	78%	0.777	S	S	*	*	S	Bend	trans	-50.2	132.5	171.1	41	0	0	0	0	114.1
25	G	54.3	Low	56.1	Low	79 Å²	79	122.8 Å²	122.8	81%	0.814	76%	0.757	S	S	*	*			trans	89.8	33.3	147.9	0	0	0	0	0	119.4
26	A	56.4	Low	58.5	Low	90 Å²	90	116.2 Å²	116.2	74%	0.744	74%	0.735	S	S	*	*			trans	-75.4	127.5	165.8	0	0	0	0	0	110.3	K28	A26-K28 PolarHBondContact O-N 3.21Å
27	P	55.3	Low	61.2	Low	122 Å²	122	118.8 Å²	118.8	79%	0.792	73%	0.733	S	S	*	*			trans	-63.8	124.8	-179.4	25.8	-31.1	0	0	0	108.8	N29	P27-N29 VanDerWaalsContact C-N 3.31Å; P27-N29 PolarHBondContact O-N 3.29Å
28	K	62.7	Low	63.8	Low	203 Å²	203	120.5 Å²	120.5	88%	0.883	72%	0.716	S	S	*	*			trans	-62.5	95.6	172.3	-81	-176.8	176.9	178.2	0	108.4	A26 K30	A26-K28 PolarHBondContact O-N 3.21Å; K28-K30 PolarHBondContact O-N 2.6Å
29	N	66.7	Low	66.7	Low	133 Å²	133	118.8 Å²	118.8	71%	0.711	70%	0.698	S	S	*	*			trans	-66.3	115	177.7	-167.5	0.3	0	0	0	108.4	P27 K31	P27-N29 VanDerWaalsContact C-N 3.31Å; P27-N29 PolarHBondContact O-N 3.29Å; N29-K31 PolarHBondContact O-N 3.23Å; N29-K31 VanDerWaalsContact OD1-CB 3.28Å; N29-K31 WeakPolarHBondContact OD1-CB 3.36Å; N29-K31 PolarHBondContact OD1-N 2.88Å
30	K	81.1	Confident	69.1	Low	205 Å²	205	121.7 Å²	121.7	89%	0.891	70%	0.698	S	S	*	*			trans	-81	8.8	177.4	-65.2	-177.4	-179.2	178	0	112.4	K28	K28-K30 PolarHBondContact O-N 2.6Å
31	K	81.1	Confident	71.9	Confident	143 Å²	143	124.1 Å²	124.1	62%	0.622	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-69.1	126.4	179.4	-167.2	175.3	-177.4	-178.2	0	109.1	N29	N29-K31 PolarHBondContact O-N 3.23Å; N29-K31 VanDerWaalsContact OD1-CB 3.28Å; N29-K31 WeakPolarHBondContact OD1-CB 3.36Å; N29-K31 PolarHBondContact OD1-N 2.88Å
32	P	82.1	Confident	74.4	Confident	91 Å²	91	119.4 Å²	119.4	59%	0.591	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-63.4	144.3	175.4	24.6	-31.4	0	0	0	110.2	N34	P32-N34 PolarHBondContact O-N 2.75Å
33	D	87.2	Confident	77	Confident	91 Å²	91	121.7 Å²	121.7	49%	0.487	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-56.2	127.8	-179.7	-62.4	-21.9	0	0	0	111	T35 K38 Q39	D33-T35 PolarHBondContact O-N 3.41Å; D33-K38 HydrophobicContact CB-CD 3.66Å; D33-K38 IonicContact OD2-NZ 2.6Å; D33-K38 PolarHBondContact OD2-NZ 3.02Å; D33-Q39 PolarHBondContact O-NE2 3.42Å
34	N	87.4	Confident	79.8	Confident	112 Å²	112	121.3 Å²	121.3	60%	0.599	66%	0.663	S	S	*	*			trans	-87	55.8	-176.3	-168.9	31.1	0	0	0	111.6	P32	P32-N34 PolarHBondContact O-N 2.75Å
35	T	90.6	Very high	82	Confident	71 Å²	71	124.9 Å²	124.9	44%	0.436	66%	0.659	S	S	.	*			trans	-101.4	147.7	174.8	62.8	0	0	0	0	110.9	D33 F37 K38 Q39	D33-T35 PolarHBondContact O-N 3.41Å; T35-F37 PolarHBondContact O-N 2.86Å; T35-F37 VanDerWaalsContact O-N 3.12Å; T35-K38 PolarHBondContact O-N 3.02Å; T35-K38 VanDerWaalsContact O-N 3.07Å; T35-K38 WeakPolarHBondContact OG1-CB 3.36Å; T35-K38 WeakPolarHBondContact OG1-CG 3.28Å; T35-K38 PolarHBondContact OG1-N 3.44Å; T35-Q39 WeakPolarHBondContact O-CB 3.4Å; T35-Q39 WeakPolarHBondContact O-CG 3.28Å; T35-Q39 PolarHBondContact O-N 2.88Å
36	A	88.9	Confident	83.8	Confident	50 Å²	50	128.9 Å²	128.9	41%	0.413	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.5	-35	-178.1	0	0	0	0	0	113.2	Q40 R41 L42	A36-Q40 PolarHBondContact O-N 3.16Å; A36-R41 PolarHBondContact O-N 2.75Å; A36-L42 HydrophobicContact CB-CD2 4.2Å
37	F	91.4	Very high	85.3	Confident	161 Å²	161	127.8 Å²	127.8	71%	0.706	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-52.4	174.7	-177.5	-99.2	0	0	0	112.3	T35 Q39 Q40 L42	T35-F37 PolarHBondContact O-N 2.86Å; T35-F37 VanDerWaalsContact O-N 3.12Å; F37-Q39 VanDerWaalsContact C-N 3.29Å; F37-Q39 PolarHBondContact O-N 3.14Å; F37-Q40 PolarHBondContact O-N 3.33Å; F37-L42 HydrophobicContact CD2-CD1 4.09Å
38	K	89.2	Confident	86.9	Confident	123 Å²	123	128.8 Å²	128.8	54%	0.535	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.7	-26.7	-176.4	-70.7	-179.1	174.3	-169.9	0	112.9	D33 T35	D33-K38 HydrophobicContact CB-CD 3.66Å; D33-K38 IonicContact OD2-NZ 2.6Å; D33-K38 PolarHBondContact OD2-NZ 3.02Å; T35-K38 PolarHBondContact O-N 3.02Å; T35-K38 VanDerWaalsContact O-N 3.07Å; T35-K38 WeakPolarHBondContact OG1-CB 3.36Å; T35-K38 WeakPolarHBondContact OG1-CG 3.28Å; T35-K38 PolarHBondContact OG1-N 3.44Å
39	Q	92.1	Very high	88.1	Confident	58 Å²	58	125.8 Å²	125.8	27%	0.271	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.2	1.5	176.6	-59	-59.7	-37.9	0	0	113.4	D33 T35 F37 R41	D33-Q39 PolarHBondContact O-NE2 3.42Å; T35-Q39 WeakPolarHBondContact O-CB 3.4Å; T35-Q39 WeakPolarHBondContact O-CG 3.28Å; T35-Q39 PolarHBondContact O-N 2.88Å; F37-Q39 VanDerWaalsContact C-N 3.29Å; F37-Q39 PolarHBondContact O-N 3.14Å; Q39-R41 VanDerWaalsContact C-N 3.28Å; Q39-R41 HydrophobicContact CB-CG 4.22Å; Q39-R41 WeakPolarHBondContact O-CG 3.33Å; Q39-R41 PolarHBondContact O-N 3.49Å
40	Q	91.1	Very high	89	Confident	180 Å²	180	122.9 Å²	122.9	84%	0.841	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.6	37.6	-179.1	-54.7	179.8	6.9	0	0	113.7	A36 F37	A36-Q40 PolarHBondContact O-N 3.16Å; F37-Q40 PolarHBondContact O-N 3.33Å
41	R	92.6	Very high	88.9	Confident	181 Å²	181	115.4 Å²	115.4	68%	0.683	60%	0.596	S	S	*	*			trans	-112.4	28.6	179.1	-59.1	178.4	-170.2	-179.5	0.1	112	A36 Q39	A36-R41 PolarHBondContact O-N 2.75Å; Q39-R41 VanDerWaalsContact C-N 3.28Å; Q39-R41 HydrophobicContact CB-CG 4.22Å; Q39-R41 WeakPolarHBondContact O-CG 3.33Å; Q39-R41 PolarHBondContact O-N 3.49Å
42	L	94.3	Very high	88.8	Confident	99 Å²	99	110.7 Å²	110.7	52%	0.518	59%	0.588	S	S	.	*			trans	-61.5	142.3	173.3	-72.8	178.2	0	0	0	109.7	A36 F37 A44	A36-L42 HydrophobicContact CB-CD2 4.2Å; F37-L42 HydrophobicContact CD2-CD1 4.09Å; L42-A44 PolarHBondContact O-N 3.06Å; L42-A44 VanDerWaalsContact O-N 3.14Å
43	P	92.9	Very high	88.9	Confident	131 Å²	131	110.1 Å²	110.1	85%	0.851	58%	0.583	S	S	*	*			trans	-59.4	121.9	172.4	26.2	-33.2	0	0	0	108.7
44	A	93.1	Very high	89	Confident	72 Å²	72	107.9 Å²	107.9	60%	0.595	57%	0.572	S	S	*	*			trans	-129.5	137.8	-178.1	0	0	0	0	0	109.9	L42 Q46	L42-A44 PolarHBondContact O-N 3.06Å; L42-A44 VanDerWaalsContact O-N 3.14Å; A44-Q46 HydrophobicContact CB-CG 4.36Å
45	W	92.5	Very high	89.1	Confident	227 Å²	227	103 Å²	103	86%	0.86	55%	0.546	S	S	*	.			trans	-84.3	117.4	167.1	179.1	51.5	0	0	0	108.8	P47	W45-P47 VanDerWaalsContact C-CD 3.47Å; W45-P47 HydrophobicContact CD2-CB 4.44Å; W45-P47 HydrophobicContact CD2-CG 4.08Å; W45-P47 HydrophobicContact CE3-CG 4.11Å; W45-P47 HydrophobicContact CH2-CB 4.12Å; W45-P47 HydrophobicContact CH2-CG 3.96Å; W45-P47 HydrophobicContact CZ2-CB 3.66Å; W45-P47 HydrophobicContact CZ2-CG 3.91Å; W45-P47 HydrophobicContact CZ3-CG 4.06Å; W45-P47 VanDerWaalsContact O-CD 3.23Å; W45-P47 WeakPolarHBondContact O-CD 3.18Å
46	Q	90.5	Very high	89.2	Confident	163 Å²	163	103.1 Å²	103.1	76%	0.762	55%	0.548	S	S	*	.			trans	-115.7	77.4	-177.7	-65.8	-178.9	-32.2	0	0	110.1	A44 I48	A44-Q46 HydrophobicContact CB-CG 4.36Å; Q46-I48 PolarHBondContact O-N 3.46Å
47	P	88.8	Confident	89.4	Confident	67 Å²	67	102.9 Å²	102.9	44%	0.435	55%	0.546	S	S	.	.			trans	-69.4	119.8	-179.7	27.7	-32.7	0	0	0	110.7	W45	W45-P47 VanDerWaalsContact C-CD 3.47Å; W45-P47 HydrophobicContact CD2-CB 4.44Å; W45-P47 HydrophobicContact CD2-CG 4.08Å; W45-P47 HydrophobicContact CE3-CG 4.11Å; W45-P47 HydrophobicContact CH2-CB 4.12Å; W45-P47 HydrophobicContact CH2-CG 3.96Å; W45-P47 HydrophobicContact CZ2-CB 3.66Å; W45-P47 HydrophobicContact CZ2-CG 3.91Å; W45-P47 HydrophobicContact CZ3-CG 4.06Å; W45-P47 VanDerWaalsContact O-CD 3.23Å; W45-P47 WeakPolarHBondContact O-CD 3.18Å
48	I	89.2	Confident	89.6	Confident	143 Å²	143	97.7 Å²	97.7	73%	0.733	52%	0.523	S	S	*	.			trans	-89.9	111.3	170.9	-56.6	173.5	0	0	0	107.4	Q46 T50	Q46-I48 PolarHBondContact O-N 3.46Å; I48-T50 HydrophobicContact CG2-CG2 4.03Å; I48-T50 PolarHBondContact O-N 3.17Å
49	L	87.9	Confident	89.9	Confident	140 Å²	140	94.1 Å²	94.1	73%	0.733	51%	0.508	S	S	*	.			trans	-77.1	88.7	-179.6	-62.1	179	0	0	0	110.2	V54	L49-V54 HydrophobicContact CB-CG2 3.91Å; L49-V54 HydrophobicContact CD2-CG2 4.13Å
50	T	84.9	Confident	90.1	Very high	72 Å²	72	95.7 Å²	95.7	44%	0.442	52%	0.521	S	S	.	.			trans	-90.5	157.3	171.1	66.4	0	0	0	0	110.7	I48 G52 T53 V54	I48-T50 HydrophobicContact CG2-CG2 4.03Å; I48-T50 PolarHBondContact O-N 3.17Å; T50-G52 VanDerWaalsContact C-N 3.27Å; T50-G52 PolarHBondContact O-N 3.07Å; T50-T53 PolarHBondContact N-OG1 3.42Å; T50-T53 PolarHBondContact O-N 3.41Å; T50-T53 PolarHBondContact O-OG1 3.28Å; T50-T53 WeakPolarHBondContact OG1-CG2 3.35Å; T50-T53 PolarHBondContact OG1-OG1 3.06Å; T50-V54 WeakPolarHBondContact O-CG2 3.3Å; T50-V54 PolarHBondContact O-N 2.68Å
51	A	79.8	Confident	90.3	Very high	49 Å²	49	90.4 Å²	90.4	41%	0.405	50%	0.498	S	S	.	.	H	α-helix	trans	-51.5	-45.5	177.8	0	0	0	0	0	112.2	T53 V54 L55 H359	A51-T53 PolarHBondContact O-N 2.62Å; A51-V54 PolarHBondContact O-N 3.15Å; A51-L55 HydrophobicContact CB-CD1 4.28Å; A51-L55 VanDerWaalsContact O-CB 3.22Å; A51-L55 WeakPolarHBondContact O-CB 3.41Å; A51-L55 WeakPolarHBondContact O-CD1 3.45Å; A51-L55 PolarHBondContact O-N 2.82Å; A51-H359 WeakPolarHBondContact CB-CD2 3.3Å
52	G	78.8	Confident	90.5	Very high	43 Å²	43	81.8 Å²	81.8	44%	0.443	47%	0.465	S	S	.	.	H	α-helix	trans	-61.3	-24.6	176.5	0	0	0	0	0	115.3	T50 P56	T50-G52 VanDerWaalsContact C-N 3.27Å; T50-G52 PolarHBondContact O-N 3.07Å; G52-P56 VanDerWaalsContact O-CD 3.28Å; G52-P56 WeakPolarHBondContact O-CD 3.36Å
53	T	83.9	Confident	90.6	Very high	80 Å²	80	82.2 Å²	82.2	49%	0.491	47%	0.468	S	S	.	.	H	α-helix	trans	-87.5	-32.1	175.5	61	0	0	0	0	113.3	T50 A51	T50-T53 PolarHBondContact N-OG1 3.42Å; T50-T53 PolarHBondContact O-N 3.41Å; T50-T53 PolarHBondContact O-OG1 3.28Å; T50-T53 WeakPolarHBondContact OG1-CG2 3.35Å; T50-T53 PolarHBondContact OG1-OG1 3.06Å; A51-T53 PolarHBondContact O-N 2.62Å
54	V	88.3	Confident	90.8	Very high	43 Å²	43	81.1 Å²	81.1	26%	0.261	45%	0.453	S	S	.	.	H	α-helix	trans	-88.1	-31.4	-175.9	-177.3	0	0	0	0	111.9	L49 T50 A51 A57 F58	L49-V54 HydrophobicContact CB-CG2 3.91Å; L49-V54 HydrophobicContact CD2-CG2 4.13Å; T50-V54 WeakPolarHBondContact O-CG2 3.3Å; T50-V54 PolarHBondContact O-N 2.68Å; A51-V54 PolarHBondContact O-N 3.15Å; V54-A57 WeakPolarHBondContact O-CB 3.43Å; V54-A57 PolarHBondContact O-N 3.06Å; V54-A57 VanDerWaalsContact O-N 3.1Å; V54-F58 HydrophobicContact CG1-CD2 3.75Å; V54-F58 HydrophobicContact CG1-CE2 3.43Å; V54-F58 VanDerWaalsContact CG1-CE2 3.43Å; V54-F58 WeakPolarHBondContact O-CD2 3.33Å; V54-F58 PolarHBondContact O-N 2.89Å
55	L	90.4	Very high	91.1	Very high	11 Å²	11	80.9 Å²	80.9	6%	0.058	44%	0.438	C	S	.	.	H	α-helix	trans	-53.7	-51.2	180	-101.8	148.4	0	0	0	113.8	A51 A57 F58 F59 G352 L355 L356 H359	A51-L55 HydrophobicContact CB-CD1 4.28Å; A51-L55 VanDerWaalsContact O-CB 3.22Å; A51-L55 WeakPolarHBondContact O-CB 3.41Å; A51-L55 WeakPolarHBondContact O-CD1 3.45Å; A51-L55 PolarHBondContact O-N 2.82Å; L55-A57 PolarHBondContact O-N 3.45Å; L55-F58 PolarHBondContact O-N 2.89Å; L55-F59 HydrophobicContact CD2-CE2 3.83Å; L55-F59 VanDerWaalsContact O-CD2 3.3Å; L55-F59 WeakPolarHBondContact O-CD2 3.49Å; L55-F59 PolarHBondContact O-N 3.32Å; L55-G352 VanDerWaalsContact CD2-O 3.28Å; L55-G352 WeakPolarHBondContact CD2-O 3.5Å; L55-L355 HydrophobicContact CD2-CB 4.28Å; L55-L355 HydrophobicContact CG-CB 4.35Å; L55-L356 HydrophobicContact CD2-CB 3.67Å; L55-L356 HydrophobicContact CD2-CD1 3.87Å; L55-L356 HydrophobicContact CD2-CG 4.41Å; L55-H359 HydrophobicContact CD1-CB 4.02Å
56	P	93.2	Very high	91.3	Very high	73 Å²	73	72.3 Å²	72.3	47%	0.474	41%	0.409	S	S	.	.	H	α-helix	trans	-59.1	-35.7	177	-25.1	35.3	0	0	0	112.9	G52 F58 F59 V60	G52-P56 VanDerWaalsContact O-CD 3.28Å; G52-P56 WeakPolarHBondContact O-CD 3.36Å; P56-F58 PolarHBondContact O-N 3.3Å; P56-F59 PolarHBondContact O-N 3.05Å; P56-V60 VanDerWaalsContact O-CG2 3.27Å; P56-V60 WeakPolarHBondContact O-CG2 3.47Å; P56-V60 PolarHBondContact O-N 3.07Å
57	A	92.9	Very high	91.7	Very high	45 Å²	45	68.1 Å²	68.1	37%	0.372	40%	0.395	S	S	.	.	H	α-helix	trans	-64	-40.9	-179.9	0	0	0	0	0	112.1	V54 L55 F59 V60 I61	V54-A57 WeakPolarHBondContact O-CB 3.43Å; V54-A57 PolarHBondContact O-N 3.06Å; V54-A57 VanDerWaalsContact O-N 3.1Å; L55-A57 PolarHBondContact O-N 3.45Å; A57-F59 PolarHBondContact O-N 3.06Å; A57-V60 PolarHBondContact O-N 2.93Å; A57-I61 WeakPolarHBondContact O-CB 3.27Å; A57-I61 VanDerWaalsContact O-CG1 3.23Å; A57-I61 WeakPolarHBondContact O-CG1 3.16Å; A57-I61 PolarHBondContact O-N 3.16Å
58	F	94.5	Very high	92.1	Very high	51 Å²	51	68.2 Å²	68.2	22%	0.224	39%	0.392	C	S	.	.	H	α-helix	trans	-60.7	-44.3	175.9	-84.4	-74.3	0	0	0	112.7	V54 L55 P56 G62 C348 L351 L355	V54-F58 HydrophobicContact CG1-CD2 3.75Å; V54-F58 HydrophobicContact CG1-CE2 3.43Å; V54-F58 VanDerWaalsContact CG1-CE2 3.43Å; V54-F58 WeakPolarHBondContact O-CD2 3.33Å; V54-F58 PolarHBondContact O-N 2.89Å; L55-F58 PolarHBondContact O-N 2.89Å; P56-F58 PolarHBondContact O-N 3.3Å; F58-G62 PolarHBondContact O-N 3.28Å; F58-C348 HydrophobicContact CD1-CB 4.1Å; F58-L351 HydrophobicContact CD1-CB 4.47Å; F58-L351 HydrophobicContact CE1-CB 4.39Å; F58-L351 HydrophobicContact CE1-CD1 4.46Å; F58-L355 HydrophobicContact CD2-CD1 4.13Å; F58-L355 HydrophobicContact CE2-CD1 3.82Å; F58-L355 HydrophobicContact CZ-CD1 4.45Å
59	F	95.9	Very high	92.6	Very high	49 Å²	49	61.4 Å²	61.4	22%	0.215	36%	0.357	C	S	.	.	H	α-helix	trans	-66.9	-43.6	177.5	-73.8	-68.8	0	0	0	112.1	L55 P56 A57 G62 L63 F349 V353	L55-F59 HydrophobicContact CD2-CE2 3.83Å; L55-F59 VanDerWaalsContact O-CD2 3.3Å; L55-F59 WeakPolarHBondContact O-CD2 3.49Å; L55-F59 PolarHBondContact O-N 3.32Å; P56-F59 PolarHBondContact O-N 3.05Å; A57-F59 PolarHBondContact O-N 3.06Å; F59-G62 PolarHBondContact O-N 3.33Å; F59-L63 WeakPolarHBondContact O-CB 3.36Å; F59-L63 VanDerWaalsContact O-CG 3.28Å; F59-L63 WeakPolarHBondContact O-CG 3.15Å; F59-L63 PolarHBondContact O-N 3.14Å; F59-F349 AromaticContact CD1-CD2 3.78Å; F59-F349 HydrophobicContact CD1-CD2 3.78Å; F59-F349 AromaticContact CD1-CE2 3.61Å; F59-F349 HydrophobicContact CD1-CE2 3.61Å; F59-F349 HydrophobicContact CD1-CZ 4.22Å; F59-F349 HydrophobicContact CE1-CD2 4.27Å; F59-F349 AromaticContact CE1-CE2 3.98Å; F59-F349 HydrophobicContact CE1-CE2 3.98Å; F59-F349 HydrophobicContact CE1-CZ 4.13Å; F59-V353 HydrophobicContact CE1-CG2 3.86Å; F59-V353 HydrophobicContact CZ-CG2 4.1Å
60	V	96.3	Very high	93	Very high	90 Å²	90	58.9 Å²	58.9	55%	0.545	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-46.8	177.6	170.4	0	0	0	0	110.9	P56 A57 G62 L63 M64	P56-V60 VanDerWaalsContact O-CG2 3.27Å; P56-V60 WeakPolarHBondContact O-CG2 3.47Å; P56-V60 PolarHBondContact O-N 3.07Å; A57-V60 PolarHBondContact O-N 2.93Å; V60-G62 PolarHBondContact O-N 3.26Å; V60-L63 PolarHBondContact O-N 3.48Å; V60-M64 HydrophobicContact CG1-CG 4.44Å; V60-M64 WeakPolarHBondContact O-CB 3.43Å; V60-M64 VanDerWaalsContact O-CG 3.24Å; V60-M64 WeakPolarHBondContact O-CG 3.44Å; V60-M64 PolarHBondContact O-N 3.05Å
61	I	95.9	Very high	93.6	Very high	69 Å²	69	57.1 Å²	57.1	35%	0.354	34%	0.339	S	S	.	.	H	α-helix	trans	-61.2	-46.9	177.6	-68.7	166.5	0	0	0	110.3	A57 M64 F65 C348	A57-I61 WeakPolarHBondContact O-CB 3.27Å; A57-I61 VanDerWaalsContact O-CG1 3.23Å; A57-I61 WeakPolarHBondContact O-CG1 3.16Å; A57-I61 PolarHBondContact O-N 3.16Å; I61-M64 PolarHBondContact O-N 2.05Å; I61-F65 HydrophobicContact CG2-CD1 4.34Å; I61-F65 HydrophobicContact CG2-CD2 3.89Å; I61-F65 HydrophobicContact CG2-CE1 4.35Å; I61-F65 HydrophobicContact CG2-CE2 3.9Å; I61-F65 HydrophobicContact CG2-CG 4.12Å; I61-F65 HydrophobicContact CG2-CZ 4.14Å; I61-F65 VanDerWaalsContact O-CB 3.24Å; I61-F65 WeakPolarHBondContact O-CB 3.46Å; I61-F65 WeakPolarHBondContact O-CG 3.45Å; I61-F65 PolarHBondContact O-N 3.08Å; I61-C348 HydrophobicContact CG2-CB 4.32Å
62	G	96.1	Very high	94.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60	-51.1	178.5	0	0	0	0	0	113	F58 F59 V60 M64 F65 I66 G345	F58-G62 PolarHBondContact O-N 3.28Å; F59-G62 PolarHBondContact O-N 3.33Å; V60-G62 PolarHBondContact O-N 3.26Å; G62-M64 VanDerWaalsContact C-N 3.26Å; G62-M64 PolarHBondContact O-N 3.25Å; G62-F65 PolarHBondContact O-N 2.95Å; G62-I66 WeakPolarHBondContact O-CD1 3.47Å; G62-I66 VanDerWaalsContact O-CG1 3.24Å; G62-I66 WeakPolarHBondContact O-CG1 3.43Å; G62-I66 PolarHBondContact O-N 3.29Å; G62-I66 VanDerWaalsContact O-N 3.09Å; G62-G345 WeakPolarHBondContact CA-O 3.44Å
63	L	96.8	Very high	95.3	Very high	109 Å²	109	58 Å²	58	57%	0.571	32%	0.321	S	S	*	.	H	α-helix	trans	-66.1	-26	-179	-70.6	174.5	0	0	0	113.3	F59 V60 P67 F349	F59-L63 WeakPolarHBondContact O-CB 3.36Å; F59-L63 VanDerWaalsContact O-CG 3.28Å; F59-L63 WeakPolarHBondContact O-CG 3.15Å; F59-L63 PolarHBondContact O-N 3.14Å; V60-L63 PolarHBondContact O-N 3.48Å; L63-P67 WeakPolarHBondContact O-CD 3.49Å; L63-P67 WeakPolarHBondContact O-CG 3.47Å; L63-F349 HydrophobicContact CD2-CD2 4.42Å; L63-F349 HydrophobicContact CD2-CE2 4.03Å; L63-F349 HydrophobicContact CG-CD2 4.44Å; L63-F349 HydrophobicContact CG-CE2 4.28Å
64	M	97.8	Very high	95.9	Very high	108 Å²	108	57.3 Å²	57.3	53%	0.532	32%	0.316	S	S	.	.	H	α-helix	trans	-83	-45.1	173.5	-72.6	-67.7	-68.6	0	0	112	V60 I61 G62 P67 I68	V60-M64 HydrophobicContact CG1-CG 4.44Å; V60-M64 WeakPolarHBondContact O-CB 3.43Å; V60-M64 VanDerWaalsContact O-CG 3.24Å; V60-M64 WeakPolarHBondContact O-CG 3.44Å; V60-M64 PolarHBondContact O-N 3.05Å; I61-M64 PolarHBondContact O-N 2.05Å; G62-M64 VanDerWaalsContact C-N 3.26Å; G62-M64 PolarHBondContact O-N 3.25Å; M64-P67 WeakPolarHBondContact O-CD 3.42Å; M64-P67 WeakPolarHBondContact O-CG 3.08Å; M64-I68 HydrophobicContact CE-CD1 4.45Å; M64-I68 WeakPolarHBondContact O-CB 3.25Å; M64-I68 VanDerWaalsContact O-CD1 3.3Å; M64-I68 WeakPolarHBondContact O-CD1 3.33Å; M64-I68 WeakPolarHBondContact O-CG1 3.34Å; M64-I68 PolarHBondContact O-N 3.33Å
65	F	98.3	Very high	96.2	Very high	66 Å²	66	57.1 Å²	57.1	29%	0.289	32%	0.315	S	S	.	.	H	α-helix	trans	-72.7	-33.3	-172.2	-79.8	18	0	0	0	113	I61 G62 G69 Y341 V344	I61-F65 HydrophobicContact CG2-CD1 4.34Å; I61-F65 HydrophobicContact CG2-CD2 3.89Å; I61-F65 HydrophobicContact CG2-CE1 4.35Å; I61-F65 HydrophobicContact CG2-CE2 3.9Å; I61-F65 HydrophobicContact CG2-CG 4.12Å; I61-F65 HydrophobicContact CG2-CZ 4.14Å; I61-F65 VanDerWaalsContact O-CB 3.24Å; I61-F65 WeakPolarHBondContact O-CB 3.46Å; I61-F65 WeakPolarHBondContact O-CG 3.45Å; I61-F65 PolarHBondContact O-N 3.08Å; G62-F65 PolarHBondContact O-N 2.95Å; F65-G69 PolarHBondContact O-N 3.33Å; F65-Y341 HydrophobicContact CB-CD1 4.11Å; F65-Y341 HydrophobicContact CD1-CD1 4.17Å; F65-Y341 HydrophobicContact CD1-CE1 4.18Å; F65-Y341 HydrophobicContact CD2-CD1 4.13Å; F65-Y341 HydrophobicContact CD2-CE1 4.45Å; F65-Y341 HydrophobicContact CE1-CE1 4.25Å; F65-Y341 AromaticContact CG-CD1 3.89Å; F65-Y341 HydrophobicContact CG-CD1 3.89Å; F65-Y341 HydrophobicContact CG-CE1 4.28Å; F65-Y341 HydrophobicContact CZ-CE1 4.41Å; F65-V344 HydrophobicContact CD2-CG1 4.15Å; F65-V344 HydrophobicContact CE2-CG1 4.3Å
66	I	98	Very high	96.5	Very high	47 Å²	47	56.9 Å²	56.9	24%	0.241	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-56.7	178.3	-66.9	166.8	0	0	0	112.1	G62 I68 G69 I70	G62-I66 WeakPolarHBondContact O-CD1 3.47Å; G62-I66 VanDerWaalsContact O-CG1 3.24Å; G62-I66 WeakPolarHBondContact O-CG1 3.43Å; G62-I66 PolarHBondContact O-N 3.29Å; G62-I66 VanDerWaalsContact O-N 3.09Å; I66-I68 VanDerWaalsContact C-N 3.34Å; I66-I68 PolarHBondContact O-N 2.91Å; I66-G69 PolarHBondContact O-N 3.35Å; I66-I70 HydrophobicContact CG2-CD1 3.92Å; I66-I70 WeakPolarHBondContact O-CG1 3.29Å; I66-I70 PolarHBondContact O-N 3.26Å
67	P	98.1	Very high	96.6	Very high	75 Å²	75	56.1 Å²	56.1	49%	0.487	31%	0.307	S	S	.	.	H	α-helix	trans	-65.4	-36.5	-179.9	25	-34.1	0	0	0	112.5	L63 M64 I70 G71	L63-P67 WeakPolarHBondContact O-CD 3.49Å; L63-P67 WeakPolarHBondContact O-CG 3.47Å; M64-P67 WeakPolarHBondContact O-CD 3.42Å; M64-P67 WeakPolarHBondContact O-CG 3.08Å; P67-I70 PolarHBondContact O-N 2.95Å; P67-G71 PolarHBondContact O-N 3.25Å
68	I	97.9	Very high	96.6	Very high	70 Å²	70	59.1 Å²	59.1	36%	0.359	32%	0.316	S	S	.	.	H	α-helix	trans	-58.7	-52.1	172.1	-67.9	169.9	0	0	0	109.3	M64 I66 I70 G71 L72 Y341	M64-I68 HydrophobicContact CE-CD1 4.45Å; M64-I68 WeakPolarHBondContact O-CB 3.25Å; M64-I68 VanDerWaalsContact O-CD1 3.3Å; M64-I68 WeakPolarHBondContact O-CD1 3.33Å; M64-I68 WeakPolarHBondContact O-CG1 3.34Å; M64-I68 PolarHBondContact O-N 3.33Å; I66-I68 VanDerWaalsContact C-N 3.34Å; I66-I68 PolarHBondContact O-N 2.91Å; I68-I70 VanDerWaalsContact C-N 3.33Å; I68-I70 PolarHBondContact O-N 2.89Å; I68-G71 PolarHBondContact O-N 3.38Å; I68-G71 VanDerWaalsContact O-N 3.07Å; I68-L72 HydrophobicContact CG2-CD1 3.87Å; I68-L72 HydrophobicContact CG2-CG 4.17Å; I68-L72 VanDerWaalsContact O-CG 3.27Å; I68-L72 WeakPolarHBondContact O-CG 3.44Å; I68-L72 PolarHBondContact O-N 2.85Å; I68-Y341 HydrophobicContact CB-CD1 4.4Å; I68-Y341 HydrophobicContact CG2-CD1 3.91Å; I68-Y341 HydrophobicContact CG2-CE1 4.03Å
69	G	98.1	Very high	96.7	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-40.2	-179.9	0	0	0	0	0	113.5	F65 I66 L72 Y73 G338	F65-G69 PolarHBondContact O-N 3.33Å; I66-G69 PolarHBondContact O-N 3.35Å; G69-L72 PolarHBondContact O-N 3.04Å; G69-Y73 VanDerWaalsContact O-CB 3.25Å; G69-Y73 WeakPolarHBondContact O-CB 3.46Å; G69-Y73 PolarHBondContact O-N 3.03Å; G69-G338 VanDerWaalsContact O-CA 3.31Å; G69-G338 WeakPolarHBondContact O-CA 3.32Å
70	I	97.9	Very high	96.6	Very high	87 Å²	87	58.3 Å²	58.3	45%	0.446	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-47.6	173	-67.2	166.9	0	0	0	110.5	I66 P67 I68 L72 Y73 V74 I342	I66-I70 HydrophobicContact CG2-CD1 3.92Å; I66-I70 WeakPolarHBondContact O-CG1 3.29Å; I66-I70 PolarHBondContact O-N 3.26Å; P67-I70 PolarHBondContact O-N 2.95Å; I68-I70 VanDerWaalsContact C-N 3.33Å; I68-I70 PolarHBondContact O-N 2.89Å; I70-L72 PolarHBondContact O-N 3.37Å; I70-Y73 PolarHBondContact O-N 3.29Å; I70-V74 HydrophobicContact CG2-CG2 4.32Å; I70-V74 WeakPolarHBondContact O-CG2 3.42Å; I70-V74 PolarHBondContact O-N 3.46Å; I70-I342 HydrophobicContact CG1-CD1 4.02Å; I70-I342 HydrophobicContact CG1-CG1 4.27Å
71	G	97	Very high	96.6	Very high	35 Å²	35	56.7 Å²	56.7	36%	0.361	30%	0.299	S	S	.	.	H	α-helix	trans	-59.3	-44.5	177.9	0	0	0	0	0	113	P67 I68 T75	P67-G71 PolarHBondContact O-N 3.25Å; I68-G71 PolarHBondContact O-N 3.38Å; I68-G71 VanDerWaalsContact O-N 3.07Å; G71-T75 VanDerWaalsContact O-CB 3.31Å; G71-T75 WeakPolarHBondContact O-CB 3.28Å; G71-T75 PolarHBondContact O-N 2.95Å; G71-T75 PolarHBondContact O-OG1 2.87Å
72	L	96.8	Very high	96.7	Very high	19 Å²	19	56.7 Å²	56.7	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-63.8	-43.2	175.7	-60.5	176.3	0	0	0	111.3	I68 G69 I70 S76 W329 M330 L337 Y341	I68-L72 HydrophobicContact CG2-CD1 3.87Å; I68-L72 HydrophobicContact CG2-CG 4.17Å; I68-L72 VanDerWaalsContact O-CG 3.27Å; I68-L72 WeakPolarHBondContact O-CG 3.44Å; I68-L72 PolarHBondContact O-N 2.85Å; G69-L72 PolarHBondContact O-N 3.04Å; I70-L72 PolarHBondContact O-N 3.37Å; L72-S76 WeakPolarHBondContact O-CB 3.14Å; L72-S76 PolarHBondContact O-N 3.09Å; L72-W329 HydrophobicContact CD2-CH2 4.19Å; L72-W329 HydrophobicContact CD2-CZ2 4.15Å; L72-M330 HydrophobicContact CB-CE 4.07Å; L72-M330 HydrophobicContact CB-SD 4.38Å; L72-M330 HydrophobicContact CD2-CE 3.42Å; L72-M330 VanDerWaalsContact CD2-CE 3.42Å; L72-M330 HydrophobicContact CD2-SD 3.33Å; L72-M330 WeakPolarHBondContact CD2-SD 3.4Å; L72-M330 HydrophobicContact CG-CE 4.17Å; L72-M330 HydrophobicContact CG-SD 4.4Å; L72-L337 HydrophobicContact CD1-CD2 4.01Å; L72-L337 HydrophobicContact CD1-CG 4.05Å; L72-Y341 HydrophobicContact CD1-CD2 4.05Å; L72-Y341 HydrophobicContact CD1-CE2 4.28Å; L72-Y341 HydrophobicContact CD1-CG 4.31Å
73	Y	97.4	Very high	96.7	Very high	91 Å²	91	60.6 Å²	60.6	36%	0.357	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-47.9	179.4	179.3	-101.9	0	0	0	112.1	G69 I70 S76 N77 P335 I339	G69-Y73 VanDerWaalsContact O-CB 3.25Å; G69-Y73 WeakPolarHBondContact O-CB 3.46Å; G69-Y73 PolarHBondContact O-N 3.03Å; I70-Y73 PolarHBondContact O-N 3.29Å; Y73-S76 PolarHBondContact O-N 3.22Å; Y73-N77 WeakPolarHBondContact CE1-ND2 3.35Å; Y73-N77 WeakPolarHBondContact O-CB 3.47Å; Y73-N77 PolarHBondContact O-N 3.32Å; Y73-N77 PolarHBondContact OH-ND2 3.2Å; Y73-N77 VanDerWaalsContact OH-ND2 3.17Å; Y73-P335 HydrophobicContact CD2-CB 3.87Å; Y73-P335 HydrophobicContact CE2-CB 3.91Å; Y73-I339 HydrophobicContact CD2-CG1 4.01Å; Y73-I339 HydrophobicContact CE2-CD1 4.33Å; Y73-I339 HydrophobicContact CE2-CG1 4.11Å
74	V	96.6	Very high	96.8	Very high	66 Å²	66	56.1 Å²	56.1	40%	0.4	29%	0.291	S	S	.	.	H	α-helix	trans	-64.4	-45.1	178.3	172.4	0	0	0	0	110.7	I70 S76 N77 N78	I70-V74 HydrophobicContact CG2-CG2 4.32Å; I70-V74 WeakPolarHBondContact O-CG2 3.42Å; I70-V74 PolarHBondContact O-N 3.46Å; V74-S76 VanDerWaalsContact C-N 3.3Å; V74-S76 PolarHBondContact O-N 3Å; V74-N77 PolarHBondContact O-N 3.28Å; V74-N77 VanDerWaalsContact O-N 3.14Å; V74-N78 VanDerWaalsContact O-CG 3.29Å; V74-N78 PolarHBondContact O-N 3.21Å; V74-N78 PolarHBondContact O-ND2 2.93Å
75	T	95.5	Very high	96.7	Very high	39 Å²	39	53.9 Å²	53.9	24%	0.239	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-43.8	177.8	-59	0	0	0	0	111.1	G71 M330	G71-T75 VanDerWaalsContact O-CB 3.31Å; G71-T75 WeakPolarHBondContact O-CB 3.28Å; G71-T75 PolarHBondContact O-N 2.95Å; G71-T75 PolarHBondContact O-OG1 2.87Å; T75-M330 HydrophobicContact CG2-SD 4.34Å
76	S	95.6	Very high	96.7	Very high	5 Å²	5	50.7 Å²	50.7	4%	0.035	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-39.8	175.9	175	0	0	0	0	112.8	L72 Y73 V74 I79 N334 P335	L72-S76 WeakPolarHBondContact O-CB 3.14Å; L72-S76 PolarHBondContact O-N 3.09Å; Y73-S76 PolarHBondContact O-N 3.22Å; V74-S76 VanDerWaalsContact C-N 3.3Å; V74-S76 PolarHBondContact O-N 3Å; S76-I79 WeakPolarHBondContact O-CB 3.45Å; S76-I79 PolarHBondContact O-N 3.34Å; S76-N334 WeakPolarHBondContact OG-CA 3.38Å; S76-N334 PolarHBondContact OG-N 3.31Å; S76-N334 PolarHBondContact OG-O 3.19Å; S76-P335 VanDerWaalsContact OG-N 3.17Å
77	N	94.4	Very high	96.6	Very high	58 Å²	58	48.5 Å²	48.5	31%	0.31	26%	0.255	S	S	.	.	H	α-helix	trans	-75.6	-23.7	-177.3	-82.1	-9.3	0	0	0	113.9	Y73 V74 I79	Y73-N77 WeakPolarHBondContact CE1-ND2 3.35Å; Y73-N77 WeakPolarHBondContact O-CB 3.47Å; Y73-N77 PolarHBondContact O-N 3.32Å; Y73-N77 PolarHBondContact OH-ND2 3.2Å; Y73-N77 VanDerWaalsContact OH-ND2 3.17Å; V74-N77 PolarHBondContact O-N 3.28Å; V74-N77 VanDerWaalsContact O-N 3.14Å; N77-I79 PolarHBondContact O-N 3.39Å
78	N	94.3	Very high	96.5	Very high	107 Å²	107	45 Å²	45	57%	0.572	23%	0.233	S	C	*	.	H	α-helix	trans	-70.5	-17.4	173.4	-72.8	-16.2	0	0	0	112.9	V74 K80	V74-N78 VanDerWaalsContact O-CG 3.29Å; V74-N78 PolarHBondContact O-N 3.21Å; V74-N78 PolarHBondContact O-ND2 2.93Å; N78-K80 PolarHBondContact O-N 2.9Å
79	I	95.1	Very high	96.2	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.036	24%	0.235	C	C	.	.	S	Bend	trans	-65.7	128.1	175.3	-64.1	170.5	0	0	0	110	S76 N77 T326 G331 G332 K333	S76-I79 WeakPolarHBondContact O-CB 3.45Å; S76-I79 PolarHBondContact O-N 3.34Å; N77-I79 PolarHBondContact O-N 3.39Å; I79-T326 WeakPolarHBondContact CG2-O 3.33Å; I79-G331 WeakPolarHBondContact CD1-O 3.36Å; I79-G332 VanDerWaalsContact CD1-C 3.41Å; I79-G332 WeakPolarHBondContact CD1-O 3.25Å; I79-K333 HydrophobicContact CB-CB 4.11Å; I79-K333 HydrophobicContact CG2-CB 3.89Å
80	K	95	Very high	95.9	Very high	77 Å²	77	50.9 Å²	50.9	34%	0.335	26%	0.263	S	S	.	.			trans	-90.5	123.3	176.2	-53.7	-56.2	178.2	-179.9	0	108.1	N78 Q120 F122 S325 T326	N78-K80 PolarHBondContact O-N 2.9Å; K80-Q120 VanDerWaalsContact CE-OE1 3.27Å; K80-F122 HydrophobicContact CB-CD1 4.15Å; K80-F122 HydrophobicContact CB-CE1 3.84Å; K80-F122 HydrophobicContact CB-CE2 4.4Å; K80-F122 HydrophobicContact CB-CZ 3.97Å; K80-F122 WeakPolarHBondContact O-CE1 3.36Å; K80-S325 WeakPolarHBondContact O-CA 3.4Å; K80-T326 HydrophobicContact CB-CG2 4.46Å; K80-T326 PolarHBondContact N-OG1 3.45Å; K80-T326 VanDerWaalsContact N-OG1 3.15Å; K80-T326 PolarHBondContact O-N 3.48Å
81	E	96.2	Very high	95.6	Very high	55 Å²	55	51.2 Å²	51.2	26%	0.257	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134.1	178.2	-178.1	158.2	118.8	0	0	108.9	R282 I323 L324 S325 K333	E81-R282 VanDerWaalsContact CD-NH1 3.31Å; E81-R282 IonicContact OE1-CZ 2.97Å; E81-R282 IonicContact OE1-NH1 2.69Å; E81-R282 PolarHBondContact OE1-NH1 2.99Å; E81-R282 IonicContact OE1-NH2 3.69Å; E81-R282 PolarHBondContact OE1-NH2 3.49Å; E81-R282 IonicContact OE2-CZ 3.33Å; E81-R282 IonicContact OE2-NH1 3.64Å; E81-R282 PolarHBondContact OE2-NH1 3.33Å; E81-R282 IonicContact OE2-NH2 2.74Å; E81-I323 HydrophobicContact CG-CG2 3.78Å; E81-L324 CarbonylContact C-O 3.58Å; E81-L324 VanDerWaalsContact CA-O 3.29Å; E81-L324 WeakPolarHBondContact CA-O 3.41Å; E81-S325 WeakPolarHBondContact OE2-CB 3.46Å; E81-S325 PolarHBondContact OE2-OG 2.8Å; E81-K333 HydrophobicContact CB-CD 4.26Å
82	Y	97.3	Very high	95.4	Very high	69 Å²	69	57 Å²	57	27%	0.271	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.1	173.2	-172.1	-93.5	0	0	0	109	V84 F116 L118 I323 L324	Y82-V84 HydrophobicContact CE1-CB 4.12Å; Y82-F116 AromaticContact CD1-CD2 3.78Å; Y82-F116 HydrophobicContact CD1-CD2 3.78Å; Y82-F116 AromaticContact CD1-CE2 3.83Å; Y82-F116 HydrophobicContact CD1-CE2 3.83Å; Y82-F116 HydrophobicContact CE1-CB 3.96Å; Y82-F116 AromaticContact CE1-CD2 3.19Å; Y82-F116 HydrophobicContact CE1-CD2 3.19Å; Y82-F116 AromaticContact CE1-CE2 3.72Å; Y82-F116 HydrophobicContact CE1-CE2 3.72Å; Y82-F116 AromaticContact CE1-CG 3.67Å; Y82-F116 HydrophobicContact CE1-CG 3.67Å; Y82-F116 AromaticContact CZ-CD2 3.71Å; Y82-F116 WeakPolarHBondContact OH-CB 3.34Å; Y82-L118 HydrophobicContact CD1-CD2 3.88Å; Y82-L118 HydrophobicContact CD2-CD2 3.83Å; Y82-L118 HydrophobicContact CE2-CD2 4.46Å; Y82-L118 HydrophobicContact CG-CD2 3.52Å; Y82-I323 CarbonylContact O-C 3.54Å; Y82-I323 WeakPolarHBondContact O-CA 3.3Å; Y82-L324 PolarHBondContact N-O 3.08Å; Y82-L324 PolarHBondContact O-N 2.73Å
83	E	97.5	Very high	95.3	Very high	82 Å²	82	57.4 Å²	57.4	38%	0.383	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135	-178.7	178.5	172.5	147.2	0	0	109.4	R321 M322 I323	E83-R321 HydrophobicContact CG-CB 4.19Å; E83-R321 WeakPolarHBondContact OE1-CD 3.28Å; E83-R321 IonicContact OE1-CZ 2.65Å; E83-R321 IonicContact OE1-NE 2.75Å; E83-R321 IonicContact OE1-NH1 3.24Å; E83-R321 PolarHBondContact OE1-NH1 2.86Å; E83-R321 IonicContact OE2-NH1 3.31Å; E83-M322 WeakPolarHBondContact CA-O 3.34Å; E83-I323 HydrophobicContact CB-CG1 4.21Å; E83-I323 HydrophobicContact CG-CG1 3.89Å
84	V	97.3	Very high	95.1	Very high	15 Å²	15	56.8 Å²	56.8	9%	0.091	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.5	173.8	63	0	0	0	0	110	Y82 V114 L305 R321 M322	Y82-V84 HydrophobicContact CE1-CB 4.12Å; V84-V114 HydrophobicContact CG2-CG1 3.63Å; V84-L305 HydrophobicContact CG1-CD2 4.05Å; V84-R321 CarbonylContact O-C 3.54Å; V84-R321 WeakPolarHBondContact O-CA 3.2Å; V84-R321 WeakPolarHBondContact O-CB 3.36Å; V84-M322 HydrophobicContact CG1-CB 3.95Å; V84-M322 HydrophobicContact CG1-CE 3.69Å; V84-M322 PolarHBondContact N-O 3.5Å; V84-M322 PolarHBondContact O-N 3.18Å
85	D	97.6	Very high	95.1	Very high	61 Å²	61	53.7 Å²	53.7	33%	0.326	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	127.4	170.8	-173	-44.5	0	0	0	108.7	T87 R319	D85-T87 WeakPolarHBondContact OD1-CB 3.31Å; D85-T87 PolarHBondContact OD1-N 3.12Å; D85-T87 PolarHBondContact OD1-OG1 3.06Å; D85-T87 PolarHBondContact OD2-OG1 2.88Å; D85-R319 IonicContact OD1-NH2 3.81Å; D85-R319 IonicContact OD2-CZ 3.16Å; D85-R319 VanDerWaalsContact OD2-CZ 3.28Å; D85-R319 IonicContact OD2-NE 3.59Å; D85-R319 PolarHBondContact OD2-NE 2.96Å; D85-R319 IonicContact OD2-NH2 2.74Å; D85-R319 PolarHBondContact OD2-NH2 2.83Å
86	Y	97.1	Very high	95	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.288	C	S	.	.			trans	-123	17.9	177.5	70.8	-90.3	0	0	0	111.8	G88 C95 F189 D191 L193 I307 Y309 K320 R321 M322	Y86-G88 PolarHBondContact O-N 3.02Å; Y86-C95 WeakPolarHBondContact O-CB 3.41Å; Y86-F189 WeakPolarHBondContact OH-CZ 3.4Å; Y86-D191 VanDerWaalsContact CE2-OD2 3.31Å; Y86-D191 WeakPolarHBondContact CE2-OD2 3.25Å; Y86-D191 PolarHBondContact OH-OD2 3.32Å; Y86-L193 HydrophobicContact CE1-CD2 4.29Å; Y86-L193 HydrophobicContact CE2-CD2 4.32Å; Y86-I307 HydrophobicContact CD2-CB 4.46Å; Y86-I307 HydrophobicContact CD2-CG1 4Å; Y86-I307 HydrophobicContact CD2-CG2 3.84Å; Y86-I307 HydrophobicContact CE2-CG1 4.45Å; Y86-I307 HydrophobicContact CE2-CG2 3.72Å; Y86-I307 HydrophobicContact CG-CG1 4.25Å; Y86-Y309 HydrophobicContact CD2-CD2 4.44Å; Y86-Y309 HydrophobicContact CD2-CE2 4.41Å; Y86-K320 HydrophobicContact CD1-CB 4.45Å; Y86-K320 HydrophobicContact CD2-CB 4.42Å; Y86-K320 HydrophobicContact CE1-CB 3.92Å; Y86-K320 HydrophobicContact CE2-CB 3.88Å; Y86-K320 HydrophobicContact CE2-CD 4.13Å; Y86-K320 PolarHBondContact N-O 2.81Å; Y86-R321 VanDerWaalsContact CE1-C 3.47Å; Y86-M322 HydrophobicContact CD1-CB 4.33Å; Y86-M322 HydrophobicContact CE1-CB 4.32Å
87	T	96.4	Very high	94.8	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-58.2	-37.1	-178.9	-46.5	0	0	0	0	111.8	D85 V89 A99 Y309 V313 R319 K320	D85-T87 WeakPolarHBondContact OD1-CB 3.31Å; D85-T87 PolarHBondContact OD1-N 3.12Å; D85-T87 PolarHBondContact OD1-OG1 3.06Å; D85-T87 PolarHBondContact OD2-OG1 2.88Å; T87-V89 HydrophobicContact CG2-CG2 3.67Å; T87-A99 VanDerWaalsContact O-CB 3.26Å; T87-A99 WeakPolarHBondContact O-CB 3.43Å; T87-Y309 PolarHBondContact O-OH 2.84Å; T87-V313 HydrophobicContact CG2-CG2 3.7Å; T87-R319 WeakPolarHBondContact OG1-CA 3.25Å; T87-K320 PolarHBondContact N-O 2.93Å; T87-K320 PolarHBondContact OG1-N 2.95Å; T87-K320 PolarHBondContact OG1-O 3.23Å
88	G	94.8	Very high	94.7	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.01	30%	0.3	C	S	.	.			trans	79.4	38.7	-177.8	0	0	0	0	0	113.6	Y86 S93 Y96 R314	Y86-G88 PolarHBondContact O-N 3.02Å; G88-S93 WeakPolarHBondContact CA-OG 3.36Å; G88-Y96 WeakPolarHBondContact O-CA 3.23Å; G88-Y96 WeakPolarHBondContact O-CD2 3.37Å; G88-R314 PolarHBondContact O-NH2 2.91Å
89	V	92.4	Very high	94.6	Very high	66 Å²	66	52.7 Å²	52.7	40%	0.4	28%	0.277	S	S	.	.			trans	-74.3	-38.1	-178.8	176.7	0	0	0	0	112.3	T87	T87-V89 HydrophobicContact CG2-CG2 3.67Å
90	E	92.7	Very high	94.2	Very high	129 Å²	129	55.6 Å²	55.6	60%	0.603	29%	0.292	S	S	*	.	S	Bend	trans	-80.7	141.1	-179.1	-68.1	164.8	-157.4	0	0	111.2	N92 S93 Y96	E90-N92 PolarHBondContact O-N 3.46Å; E90-N92 VanDerWaalsContact O-N 3.14Å; E90-S93 WeakPolarHBondContact O-CB 3.44Å; E90-S93 PolarHBondContact O-N 3.38Å; E90-Y96 VanDerWaalsContact C-CD2 3.49Å; E90-Y96 WeakPolarHBondContact O-CD2 3.37Å
91	P	91.1	Very high	93.6	Very high	93 Å²	93	57.7 Å²	57.7	60%	0.604	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.1	177.7	-27.3	35.5	0	0	0	114.7	S93 Y96	P91-S93 VanDerWaalsContact C-N 3.28Å; P91-S93 PolarHBondContact O-N 3.06Å; P91-Y96 HydrophobicContact CB-CE1 4.38Å; P91-Y96 HydrophobicContact CB-CE2 4.32Å; P91-Y96 HydrophobicContact CG-CE2 4.13Å
92	N	92.4	Very high	92.8	Very high	156 Å²	156	57.6 Å²	57.6	83%	0.834	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.8	179.3	-65.8	-3.1	0	0	0	113	E90	E90-N92 PolarHBondContact O-N 3.46Å; E90-N92 VanDerWaalsContact O-N 3.14Å
93	S	94.1	Very high	91.6	Very high	29 Å²	29	58.3 Å²	58.3	20%	0.203	32%	0.317	C	S	.	.	S	Bend	trans	-74.3	136.4	-178.5	-174.1	0	0	0	0	110.9	G88 E90 P91 C95 Y96	G88-S93 WeakPolarHBondContact CA-OG 3.36Å; E90-S93 WeakPolarHBondContact O-CB 3.44Å; E90-S93 PolarHBondContact O-N 3.38Å; P91-S93 VanDerWaalsContact C-N 3.28Å; P91-S93 PolarHBondContact O-N 3.06Å; S93-C95 PolarHBondContact O-N 3.07Å; S93-Y96 WeakPolarHBondContact O-CB 3.31Å; S93-Y96 PolarHBondContact O-N 3.36Å
94	P	94.6	Very high	90	Very high	78 Å²	78	61.3 Å²	61.3	51%	0.506	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.9	176.7	-24.7	33.4	0	0	0	114.6	C112 T113	P94-C112 WeakPolarHBondContact O-CB 3.29Å; P94-T113 WeakPolarHBondContact CB-O 3.42Å
95	C	95.2	Very high	88.5	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	6.8	179.5	-61.1	0	0	0	0	113.4	Y86 S93 D97 C98 A99 C112 Y309	Y86-C95 WeakPolarHBondContact O-CB 3.41Å; S93-C95 PolarHBondContact O-N 3.07Å; C95-D97 PolarHBondContact O-N 2.88Å; C95-C98 PolarHBondContact O-N 3.3Å; C95-A99 WeakPolarHBondContact O-CB 3.47Å; C95-A99 PolarHBondContact O-N 3.12Å; C95-C112 HydrophobicContact CB-CB 3.79Å; C95-C112 WeakPolarHBondContact CB-SG 3.48Å; C95-C112 WeakPolarHBondContact SG-CB 3.38Å; C95-C112 CovalentContact SG-SG 2.04Å; C95-C112 PolarHBondContact SG-SG 2.97Å; C95-Y309 HydrophobicContact CB-CD2 4.42Å; C95-Y309 HydrophobicContact CB-CE2 4.34Å
96	Y	94.4	Very high	87.1	Confident	68 Å²	68	67.8 Å²	67.8	27%	0.267	36%	0.364	S	S	.	.	H	α-helix	trans	-60.6	-44.6	-177.3	-178.7	-104.9	0	0	0	112.6	G88 E90 P91 S93 A99 N100 R314	G88-Y96 WeakPolarHBondContact O-CA 3.23Å; G88-Y96 WeakPolarHBondContact O-CD2 3.37Å; E90-Y96 VanDerWaalsContact C-CD2 3.49Å; E90-Y96 WeakPolarHBondContact O-CD2 3.37Å; P91-Y96 HydrophobicContact CB-CE1 4.38Å; P91-Y96 HydrophobicContact CB-CE2 4.32Å; P91-Y96 HydrophobicContact CG-CE2 4.13Å; S93-Y96 WeakPolarHBondContact O-CB 3.31Å; S93-Y96 PolarHBondContact O-N 3.36Å; Y96-A99 PolarHBondContact O-N 2.69Å; Y96-N100 VanDerWaalsContact CD1-ND2 3.27Å; Y96-N100 WeakPolarHBondContact CD1-ND2 3.31Å; Y96-N100 WeakPolarHBondContact CD2-ND2 3.48Å; Y96-N100 WeakPolarHBondContact CE1-ND2 3.46Å; Y96-N100 WeakPolarHBondContact CE2-ND2 3.34Å; Y96-N100 PolarHBondContact O-N 3.09Å; Y96-N100 PolarHBondContact O-ND2 3.29Å; Y96-N100 VanDerWaalsContact O-ND2 3.15Å; Y96-N100 PolarHBondContact OH-ND2 2.74Å; Y96-R314 VanDerWaalsContact CD2-NH2 3.26Å
97	D	92.1	Very high	85.6	Confident	106 Å²	106	74.5 Å²	74.5	57%	0.567	41%	0.405	S	S	*	.	H	α-helix	trans	-65	-42.9	-179.9	-64.4	-26.2	0	0	0	111.7	C95 A99 N100 N101	C95-D97 PolarHBondContact O-N 2.88Å; D97-A99 VanDerWaalsContact C-N 3.27Å; D97-A99 PolarHBondContact O-N 2.99Å; D97-N100 PolarHBondContact O-N 3.04Å; D97-N101 WeakPolarHBondContact O-CB 3.4Å; D97-N101 PolarHBondContact O-N 2.8Å
98	C	92.3	Very high	84.7	Confident	6 Å²	6	79.4 Å²	79.4	4%	0.041	44%	0.435	C	S	.	.	H	α-helix	trans	-62.4	-36.1	174.9	-69.1	0	0	0	0	112.5	C95 F102 C110 Y309	C95-C98 PolarHBondContact O-N 3.3Å; C98-F102 PolarHBondContact O-N 3.26Å; C98-C110 WeakPolarHBondContact CA-SG 3.09Å; C98-C110 HydrophobicContact CB-CB 3.78Å; C98-C110 WeakPolarHBondContact CB-SG 3.46Å; C98-C110 WeakPolarHBondContact SG-CB 3.44Å; C98-C110 CovalentContact SG-SG 2.04Å; C98-C110 PolarHBondContact SG-SG 2.8Å; C98-Y309 HydrophobicContact CB-CD1 4.36Å; C98-Y309 HydrophobicContact CB-CD2 4.16Å; C98-Y309 HydrophobicContact CB-CG 3.92Å
99	A	90.8	Very high	84.2	Confident	9 Å²	9	83.4 Å²	83.4	7%	0.074	46%	0.461	C	S	.	.	H	α-helix	trans	-77.8	-30	-178.5	0	0	0	0	0	112.8	T87 C95 Y96 D97 Y309 R314	T87-A99 VanDerWaalsContact O-CB 3.26Å; T87-A99 WeakPolarHBondContact O-CB 3.43Å; C95-A99 WeakPolarHBondContact O-CB 3.47Å; C95-A99 PolarHBondContact O-N 3.12Å; Y96-A99 PolarHBondContact O-N 2.69Å; D97-A99 VanDerWaalsContact C-N 3.27Å; D97-A99 PolarHBondContact O-N 2.99Å; A99-Y309 HydrophobicContact CB-CE2 4.45Å; A99-R314 VanDerWaalsContact CB-NE 3.27Å; A99-R314 WeakPolarHBondContact O-CD 3.44Å
100	N	87.3	Confident	84.2	Confident	68 Å²	68	82.6 Å²	82.6	36%	0.364	46%	0.458	S	S	.	.	H	α-helix	trans	-79.6	-46	174.8	-84.1	-54.8	0	0	0	113.4	Y96 D97 F102 R314	Y96-N100 VanDerWaalsContact CD1-ND2 3.27Å; Y96-N100 WeakPolarHBondContact CD1-ND2 3.31Å; Y96-N100 WeakPolarHBondContact CD2-ND2 3.48Å; Y96-N100 WeakPolarHBondContact CE1-ND2 3.46Å; Y96-N100 WeakPolarHBondContact CE2-ND2 3.34Å; Y96-N100 PolarHBondContact O-N 3.09Å; Y96-N100 PolarHBondContact O-ND2 3.29Å; Y96-N100 VanDerWaalsContact O-ND2 3.15Å; Y96-N100 PolarHBondContact OH-ND2 2.74Å; D97-N100 PolarHBondContact O-N 3.04Å; N100-F102 PolarHBondContact O-N 3.26Å; N100-R314 PolarHBondContact ND2-NH2 3Å; N100-R314 PolarHBondContact OD1-NH1 3.07Å
101	N	82.9	Confident	84.3	Confident	121 Å²	121	79.8 Å²	79.8	65%	0.647	45%	0.449	S	S	*	.	S	Bend	trans	-91.2	17.3	-172.1	-63.3	-26.4	0	0	0	112.3	D97 T103	D97-N101 WeakPolarHBondContact O-CB 3.4Å; D97-N101 PolarHBondContact O-N 2.8Å; N101-T103 PolarHBondContact O-N 3.35Å
102	F	78.8	Confident	84.5	Confident	53 Å²	53	75.7 Å²	75.7	23%	0.232	42%	0.423	C	S	.	.			trans	-64.7	119.5	179.8	-177.1	-92.3	0	0	0	110.4	C98 N100 W104 N310 P312	C98-F102 PolarHBondContact O-N 3.26Å; N100-F102 PolarHBondContact O-N 3.26Å; F102-W104 AromaticContact CE1-CD1 3.99Å; F102-W104 AromaticContact CE1-CD2 3.9Å; F102-W104 HydrophobicContact CE1-CD2 3.9Å; F102-W104 AromaticContact CE1-CE2 3.89Å; F102-W104 HydrophobicContact CE1-CE3 4.47Å; F102-W104 AromaticContact CE1-CG 4Å; F102-W104 HydrophobicContact CE1-CG 4Å; F102-W104 HydrophobicContact CE1-CZ2 4.47Å; F102-W104 AromaticContact CE1-NE1 3.91Å; F102-W104 HydrophobicContact CZ-CD2 4.34Å; F102-W104 HydrophobicContact CZ-CE3 4.49Å; F102-N310 VanDerWaalsContact CE2-O 3.23Å; F102-N310 WeakPolarHBondContact CE2-O 3.27Å; F102-N310 VanDerWaalsContact CZ-O 3.29Å; F102-N310 WeakPolarHBondContact CZ-O 3.3Å; F102-P312 HydrophobicContact CD1-CB 3.6Å; F102-P312 HydrophobicContact CD1-CG 4.02Å; F102-P312 HydrophobicContact CE1-CB 3.6Å; F102-P312 HydrophobicContact CE1-CG 3.47Å; F102-P312 VanDerWaalsContact CE1-CG 3.47Å; F102-P312 HydrophobicContact CG-CB 4.17Å; F102-P312 HydrophobicContact CZ-CB 4.18Å; F102-P312 HydrophobicContact CZ-CG 3.87Å
103	T	71.5	Confident	84.7	Confident	83 Å²	83	71.7 Å²	71.7	51%	0.509	40%	0.404	S	S	.	.			trans	-127.4	131.1	173.2	52	0	0	0	0	109.5	N101 N105 S106	N101-T103 PolarHBondContact O-N 3.35Å; T103-N105 PolarHBondContact O-N 3.27Å; T103-N105 VanDerWaalsContact O-N 3.09Å; T103-S106 PolarHBondContact O-N 3.03Å; T103-S106 WeakPolarHBondContact OG1-CB 3.38Å
104	W	64.7	Low	84.8	Confident	146 Å²	146	71 Å²	71	55%	0.553	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.7	-179.6	-72	94.5	0	0	0	113.6	F102 N246 P312	F102-W104 AromaticContact CE1-CD1 3.99Å; F102-W104 AromaticContact CE1-CD2 3.9Å; F102-W104 HydrophobicContact CE1-CD2 3.9Å; F102-W104 AromaticContact CE1-CE2 3.89Å; F102-W104 HydrophobicContact CE1-CE3 4.47Å; F102-W104 AromaticContact CE1-CG 4Å; F102-W104 HydrophobicContact CE1-CG 4Å; F102-W104 HydrophobicContact CE1-CZ2 4.47Å; F102-W104 AromaticContact CE1-NE1 3.91Å; F102-W104 HydrophobicContact CZ-CD2 4.34Å; F102-W104 HydrophobicContact CZ-CE3 4.49Å; W104-N246 HydrophobicContact CZ3-CB 4.02Å; W104-P312 HydrophobicContact CH2-CG 3.76Å; W104-P312 HydrophobicContact CZ2-CG 3.34Å
105	N	65.5	Low	84.9	Confident	153 Å²	153	70.9 Å²	70.9	82%	0.818	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	7.4	-176.8	-67.7	-13.4	0	0	0	113.6	T103 T107	T103-N105 PolarHBondContact O-N 3.27Å; T103-N105 VanDerWaalsContact O-N 3.09Å; N105-T107 PolarHBondContact O-N 3.35Å
106	S	67.6	Low	85	Confident	58 Å²	58	71.3 Å²	71.3	41%	0.406	40%	0.398	S	S	.	.			trans	-68.2	123.5	176.4	-171.3	0	0	0	0	110.2	T103 T108	T103-S106 PolarHBondContact O-N 3.03Å; T103-S106 WeakPolarHBondContact OG1-CB 3.38Å; S106-T108 VanDerWaalsContact C-N 3.27Å; S106-T108 PolarHBondContact OG-N 3.44Å; S106-T108 PolarHBondContact OG-O 2.89Å; S106-T108 PolarHBondContact OG-OG1 2.97Å
107	T	66.6	Low	85.1	Confident	142 Å²	142	71.7 Å²	71.7	87%	0.871	41%	0.408	S	S	*	.	S	Bend	trans	-74	-21.3	171.6	41.6	0	0	0	0	112.2	N105	N105-T107 PolarHBondContact O-N 3.35Å
108	T	78.1	Confident	85.4	Confident	102 Å²	102	66.8 Å²	66.8	63%	0.626	38%	0.381	S	S	*	.	S	Bend	trans	-95.9	122.3	177.2	52.2	0	0	0	0	110.5	S106 C110	S106-T108 VanDerWaalsContact C-N 3.27Å; S106-T108 PolarHBondContact OG-N 3.44Å; S106-T108 PolarHBondContact OG-O 2.89Å; S106-T108 PolarHBondContact OG-OG1 2.97Å; T108-C110 PolarHBondContact O-N 3.13Å
109	P	83.9	Confident	85.5	Confident	85 Å²	85	72.4 Å²	72.4	55%	0.552	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-71.2	130.8	176.5	28.2	-32.5	0	0	0	110	T308	P109-T308 HydrophobicContact CB-CG2 3.69Å
110	C	91.9	Very high	85.6	Confident	50 Å²	50	76.5 Å²	76.5	34%	0.338	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.8	174.4	-161.5	0	0	0	0	110	C98 T108 Y309	C98-C110 WeakPolarHBondContact CA-SG 3.09Å; C98-C110 HydrophobicContact CB-CB 3.78Å; C98-C110 WeakPolarHBondContact CB-SG 3.46Å; C98-C110 WeakPolarHBondContact SG-CB 3.44Å; C98-C110 CovalentContact SG-SG 2.04Å; C98-C110 PolarHBondContact SG-SG 2.8Å; T108-C110 PolarHBondContact O-N 3.13Å; C110-Y309 PolarHBondContact O-N 3.16Å
111	V	94.7	Very high	86	Confident	70 Å²	70	75.6 Å²	75.6	42%	0.424	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.1	-180	-178.4	0	0	0	0	109.2	K306 I307 T308	V111-K306 HydrophobicContact CG1-CD 4.5Å; V111-K306 HydrophobicContact CG1-CG 3.86Å; V111-I307 VanDerWaalsContact CA-O 3.25Å; V111-I307 WeakPolarHBondContact CA-O 3.48Å; V111-I307 WeakPolarHBondContact CG1-O 3.34Å; V111-T308 HydrophobicContact CG2-CG2 4.49Å
112	C	95.7	Very high	86.6	Confident	6 Å²	6	70.1 Å²	70.1	4%	0.041	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	155.6	171.6	62.4	0	0	0	0	110.7	P94 C95 I307	P94-C112 WeakPolarHBondContact O-CB 3.29Å; C95-C112 HydrophobicContact CB-CB 3.79Å; C95-C112 WeakPolarHBondContact CB-SG 3.48Å; C95-C112 WeakPolarHBondContact SG-CB 3.38Å; C95-C112 CovalentContact SG-SG 2.04Å; C95-C112 PolarHBondContact SG-SG 2.97Å; C112-I307 PolarHBondContact N-O 3.35Å; C112-I307 PolarHBondContact O-N 3.45Å
113	T	96.6	Very high	87.3	Confident	73 Å²	73	73.9 Å²	73.9	45%	0.448	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.7	-179.2	49.8	0	0	0	0	110.3	P94 V304 L305 K306	P94-T113 WeakPolarHBondContact CB-O 3.42Å; T113-V304 HydrophobicContact CG2-CG1 4.43Å; T113-L305 CarbonylContact C-O 3.51Å; T113-L305 WeakPolarHBondContact CA-O 3.3Å; T113-K306 HydrophobicContact CG2-CB 4.37Å; T113-K306 HydrophobicContact CG2-CG 4.28Å
114	V	96.8	Very high	88.2	Confident	15 Å²	15	72.2 Å²	72.2	9%	0.091	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.5	176.7	-179	0	0	0	0	108.4	V84 L305 I307	V84-V114 HydrophobicContact CG2-CG1 3.63Å; V114-L305 HydrophobicContact CB-CB 4.48Å; V114-L305 PolarHBondContact N-O 3.31Å; V114-L305 PolarHBondContact O-N 3.5Å; V114-I307 HydrophobicContact CB-CD1 4.3Å; V114-I307 HydrophobicContact CG2-CD1 3.89Å
115	T	96.4	Very high	89.7	Confident	74 Å²	74	68.1 Å²	68.1	45%	0.454	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.8	-180	-60.7	0	0	0	0	109.5	K302 Y303	T115-K302 HydrophobicContact CG2-CD 4.08Å; T115-K302 HydrophobicContact CG2-CG 3.83Å; T115-Y303 WeakPolarHBondContact CA-O 3.3Å
116	F	96.8	Very high	91.1	Very high	9 Å²	9	60.9 Å²	60.9	4%	0.039	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	164.4	180	66.8	-88.1	0	0	0	112	Y82 L118 L195 K302 Y303 L305 M322 L324	Y82-F116 AromaticContact CD1-CD2 3.78Å; Y82-F116 HydrophobicContact CD1-CD2 3.78Å; Y82-F116 AromaticContact CD1-CE2 3.83Å; Y82-F116 HydrophobicContact CD1-CE2 3.83Å; Y82-F116 HydrophobicContact CE1-CB 3.96Å; Y82-F116 AromaticContact CE1-CD2 3.19Å; Y82-F116 HydrophobicContact CE1-CD2 3.19Å; Y82-F116 AromaticContact CE1-CE2 3.72Å; Y82-F116 HydrophobicContact CE1-CE2 3.72Å; Y82-F116 AromaticContact CE1-CG 3.67Å; Y82-F116 HydrophobicContact CE1-CG 3.67Å; Y82-F116 AromaticContact CZ-CD2 3.71Å; Y82-F116 WeakPolarHBondContact OH-CB 3.34Å; F116-L118 HydrophobicContact CD2-CD2 4.09Å; F116-L118 HydrophobicContact CD2-CG 4.37Å; F116-L118 HydrophobicContact CE2-CD2 3.72Å; F116-L118 HydrophobicContact CE2-CG 3.93Å; F116-L195 HydrophobicContact CE1-CD1 3.93Å; F116-L195 HydrophobicContact CZ-CD1 3.72Å; F116-K302 CarbonylContact O-C 3.59Å; F116-K302 WeakPolarHBondContact O-CA 3.29Å; F116-Y303 HydrophobicContact CE2-CD2 4.46Å; F116-Y303 HydrophobicContact CE2-CG 4.3Å; F116-Y303 HydrophobicContact CZ-CG 4.29Å; F116-Y303 PolarHBondContact N-O 3.4Å; F116-Y303 PolarHBondContact O-N 3.36Å; F116-L305 HydrophobicContact CE1-CB 4.05Å; F116-M322 HydrophobicContact CE1-CE 3.99Å; F116-M322 HydrophobicContact CZ-CE 3.87Å; F116-L324 HydrophobicContact CE2-CD1 4.35Å; F116-L324 HydrophobicContact CZ-CD1 4.2Å
117	T	96.9	Very high	92.6	Very high	77 Å²	77	60 Å²	60	47%	0.472	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.5	-179.4	-57.8	0	0	0	0	110.3	G301	T117-G301 CarbonylContact C-O 3.56Å; T117-G301 WeakPolarHBondContact CA-O 3.32Å
118	L	96.8	Very high	94.1	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	115	169.1	-64	-175.5	0	0	0	108.8	Y82 F116 F122 L298 S300 G301 Y303	Y82-L118 HydrophobicContact CD1-CD2 3.88Å; Y82-L118 HydrophobicContact CD2-CD2 3.83Å; Y82-L118 HydrophobicContact CE2-CD2 4.46Å; Y82-L118 HydrophobicContact CG-CD2 3.52Å; F116-L118 HydrophobicContact CD2-CD2 4.09Å; F116-L118 HydrophobicContact CD2-CG 4.37Å; F116-L118 HydrophobicContact CE2-CD2 3.72Å; F116-L118 HydrophobicContact CE2-CG 3.93Å; L118-F122 HydrophobicContact CD1-CD2 4.18Å; L118-F122 HydrophobicContact CD1-CE2 4Å; L118-F122 HydrophobicContact CD2-CE2 4.1Å; L118-L298 HydrophobicContact CD1-CB 4.22Å; L118-L298 HydrophobicContact CD1-CD1 4.27Å; L118-S300 CarbonylContact O-C 3.55Å; L118-S300 VanDerWaalsContact O-CA 3.24Å; L118-S300 WeakPolarHBondContact O-CA 3.22Å; L118-S300 WeakPolarHBondContact O-CB 3.42Å; L118-G301 PolarHBondContact N-O 3Å; L118-G301 PolarHBondContact O-N 2.96Å; L118-Y303 HydrophobicContact CB-CD2 4.33Å; L118-Y303 HydrophobicContact CB-CE2 4.1Å; L118-Y303 HydrophobicContact CD1-CD2 3.87Å; L118-Y303 HydrophobicContact CD1-CE2 3.51Å; L118-Y303 HydrophobicContact CG-CD2 3.81Å; L118-Y303 HydrophobicContact CG-CE2 3.82Å
119	T	95.1	Very high	95.1	Very high	125 Å²	125	50.2 Å²	50.2	77%	0.767	29%	0.286	S	S	*	.	S	Bend	trans	-75.9	-27.3	-179.9	52.1	0	0	0	0	112.9
120	Q	94	Very high	95.8	Very high	94 Å²	94	46.5 Å²	46.5	44%	0.439	26%	0.261	S	S	.	.	S	Bend	trans	-124.5	143.7	-179.2	-63.6	-178.3	10.6	0	0	109.9	K80	K80-Q120 VanDerWaalsContact CE-OE1 3.27Å
121	P	95.1	Very high	96.1	Very high	50 Å²	50	44.1 Å²	44.1	33%	0.325	25%	0.245	S	C	.	.			trans	-71.9	153.7	175.5	30.9	-34.9	0	0	0	111.8	P296 L298	P121-P296 HydrophobicContact CB-CB 3.65Å; P121-P296 HydrophobicContact CB-CG 3.69Å; P121-L298 CarbonylContact C-O 3.53Å; P121-L298 VanDerWaalsContact CA-O 3.31Å; P121-L298 WeakPolarHBondContact CA-O 3.32Å
122	F	95.4	Very high	96.3	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.026	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-107.7	112.3	172.9	-68.9	-123.1	0	0	0	108.7	K80 L118 V126 P296 T297 L298 L324 T326	K80-F122 HydrophobicContact CB-CD1 4.15Å; K80-F122 HydrophobicContact CB-CE1 3.84Å; K80-F122 HydrophobicContact CB-CE2 4.4Å; K80-F122 HydrophobicContact CB-CZ 3.97Å; K80-F122 WeakPolarHBondContact O-CE1 3.36Å; L118-F122 HydrophobicContact CD1-CD2 4.18Å; L118-F122 HydrophobicContact CD1-CE2 4Å; L118-F122 HydrophobicContact CD2-CE2 4.1Å; F122-V126 HydrophobicContact CB-CG2 3.49Å; F122-V126 VanDerWaalsContact CB-CG2 3.49Å; F122-V126 HydrophobicContact CD1-CB 4.47Å; F122-V126 HydrophobicContact CD1-CG1 3.84Å; F122-V126 HydrophobicContact CD1-CG2 3.8Å; F122-V126 HydrophobicContact CE1-CG1 4.27Å; F122-V126 HydrophobicContact CG-CG2 4.01Å; F122-P296 WeakPolarHBondContact O-CB 3.37Å; F122-T297 WeakPolarHBondContact O-CB 3.36Å; F122-T297 PolarHBondContact O-N 3.44Å; F122-L298 HydrophobicContact CB-CB 4.1Å; F122-L298 HydrophobicContact CD2-CB 4.44Å; F122-L298 HydrophobicContact CG-CB 4.48Å; F122-L298 PolarHBondContact N-O 3.29Å; F122-L298 PolarHBondContact O-N 3.13Å; F122-L324 HydrophobicContact CE1-CB 4.38Å; F122-T326 HydrophobicContact CB-CG2 4.32Å; F122-T326 HydrophobicContact CD1-CG2 3.56Å; F122-T326 HydrophobicContact CE1-CG2 4.3Å; F122-T326 HydrophobicContact CG-CG2 4.33Å
123	E	92.3	Very high	96.4	Very high	132 Å²	132	41.6 Å²	41.6	62%	0.617	23%	0.23	S	C	*	.			trans	-91.6	-21.3	-169.5	-62.4	178.8	178	0	0	114.6	K290	E123-K290 WeakPolarHBondContact O-CD 3.27Å
124	S	91.9	Very high	96.4	Very high	47 Å²	47	40.8 Å²	40.8	33%	0.329	22%	0.223	S	C	.	.	S	Bend	trans	-99.5	-175.5	-179.3	67.1	0	0	0	0	111.6	V126 T297 T326	S124-V126 PolarHBondContact O-N 2.86Å; S124-T297 VanDerWaalsContact O-CB 3.27Å; S124-T297 WeakPolarHBondContact O-CB 3.5Å; S124-T297 PolarHBondContact O-OG1 3.28Å; S124-T326 WeakPolarHBondContact OG-CB 3.29Å; S124-T326 WeakPolarHBondContact OG-CG2 3.45Å
125	N	94.8	Very high	96.5	Very high	61 Å²	61	41.4 Å²	41.4	33%	0.326	23%	0.225	S	C	.	.			trans	-52.8	137	162.8	-68.5	-20.5	0	0	0	109.6	Y127 K290	N125-Y127 HydrophobicContact CB-CE2 3.98Å; N125-K290 WeakPolarHBondContact OD1-CB 3.41Å; N125-K290 PolarHBondContact OD1-N 3.16Å
126	V	96.9	Very high	96.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.3	178.1	-172.3	0	0	0	0	108.9	F122 S124 I288 T297 L298 L324	F122-V126 HydrophobicContact CB-CG2 3.49Å; F122-V126 VanDerWaalsContact CB-CG2 3.49Å; F122-V126 HydrophobicContact CD1-CB 4.47Å; F122-V126 HydrophobicContact CD1-CG1 3.84Å; F122-V126 HydrophobicContact CD1-CG2 3.8Å; F122-V126 HydrophobicContact CE1-CG1 4.27Å; F122-V126 HydrophobicContact CG-CG2 4.01Å; S124-V126 PolarHBondContact O-N 2.86Å; V126-I288 HydrophobicContact CB-CB 4.16Å; V126-I288 HydrophobicContact CB-CD1 4.37Å; V126-I288 HydrophobicContact CG1-CD1 4.46Å; V126-I288 PolarHBondContact N-O 3.34Å; V126-I288 PolarHBondContact O-N 3.14Å; V126-T297 HydrophobicContact CG2-CG2 4.04Å; V126-L298 HydrophobicContact CB-CD1 4.22Å; V126-L298 HydrophobicContact CG1-CD1 3.91Å; V126-L298 HydrophobicContact CG2-CD1 4.05Å; V126-L298 HydrophobicContact CG2-CG 4.17Å; V126-L324 HydrophobicContact CG1-CB 4.13Å; V126-L324 HydrophobicContact CG1-CD2 4.32Å
127	Y	97.9	Very high	96.6	Very high	40 Å²	40	43.7 Å²	43.7	16%	0.157	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.7	-179.1	-62.6	-95.2	0	0	0	108.3	N125 Y129 L284 I287 S325 I327	N125-Y127 HydrophobicContact CB-CE2 3.98Å; Y127-Y129 VanDerWaalsContact CB-CE2 3.41Å; Y127-Y129 WeakPolarHBondContact O-CD2 3.4Å; Y127-L284 HydrophobicContact CD1-CD1 3.89Å; Y127-L284 HydrophobicContact CD1-CD2 4.26Å; Y127-L284 HydrophobicContact CG-CD1 4.38Å; Y127-I287 HydrophobicContact CD1-CD1 4.49Å; Y127-I287 HydrophobicContact CD1-CG1 3.92Å; Y127-I287 HydrophobicContact CE1-CD1 4.14Å; Y127-I287 HydrophobicContact CE1-CG1 4Å; Y127-I287 HydrophobicContact CE1-CG2 4.3Å; Y127-S325 PolarHBondContact N-O 2.88Å; Y127-S325 PolarHBondContact O-N 2.81Å; Y127-I327 HydrophobicContact CD2-CD1 4.33Å; Y127-I327 HydrophobicContact CD2-CG1 4.21Å; Y127-I327 HydrophobicContact CD2-CG2 3.75Å; Y127-I327 HydrophobicContact CE1-CD1 4.43Å; Y127-I327 HydrophobicContact CE2-CB 4.34Å; Y127-I327 HydrophobicContact CE2-CD1 3.52Å; Y127-I327 HydrophobicContact CE2-CG1 3.56Å; Y127-I327 HydrophobicContact CE2-CG2 3.99Å; Y127-I327 HydrophobicContact CG-CG2 4.38Å; Y127-I327 WeakPolarHBondContact OH-CD1 3.48Å
128	M	98.3	Very high	96.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.9	177.4	-175	-178	-174.1	0	0	108.4	L193 L209 Y285 R286 L305 M322 I323 L324	M128-L193 HydrophobicContact CE-CB 3.55Å; M128-L193 HydrophobicContact CE-CD1 4.03Å; M128-L193 HydrophobicContact CE-CG 4.44Å; M128-L209 HydrophobicContact SD-CD1 3.94Å; M128-L209 HydrophobicContact SD-CD2 4.25Å; M128-Y285 HydrophobicContact CE-CD1 4.29Å; M128-Y285 HydrophobicContact CG-CD1 4.42Å; M128-Y285 WeakPolarHBondContact O-CA 3.5Å; M128-Y285 VanDerWaalsContact O-CB 3.3Å; M128-Y285 WeakPolarHBondContact O-CB 3.45Å; M128-Y285 PolarHBondContact O-N 3.05Å; M128-Y285 HydrophobicContact SD-CD1 3.96Å; M128-R286 HydrophobicContact CB-CB 4.3Å; M128-R286 PolarHBondContact N-O 2.82Å; M128-R286 PolarHBondContact O-N 3.31Å; M128-R286 VanDerWaalsContact O-N 3.07Å; M128-L305 HydrophobicContact CE-CD1 3.89Å; M128-M322 HydrophobicContact CE-CG 3.4Å; M128-M322 VanDerWaalsContact CE-CG 3.4Å; M128-M322 HydrophobicContact CE-SD 3.94Å; M128-M322 HydrophobicContact CG-CG 4.19Å; M128-M322 HydrophobicContact CG-SD 4.06Å; M128-I323 CarbonylContact C-O 3.57Å; M128-I323 WeakPolarHBondContact CA-O 3.28Å; M128-L324 HydrophobicContact CB-CD2 3.86Å; M128-L324 HydrophobicContact CG-CD2 3.87Å
129	Y	98.6	Very high	96.6	Very high	39 Å²	39	48.5 Å²	48.5	15%	0.153	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	147.7	177.2	-55.1	-98.5	0	0	0	109.9	Y127 R282 K283 L284 M322 I323	Y127-Y129 VanDerWaalsContact CB-CE2 3.41Å; Y127-Y129 WeakPolarHBondContact O-CD2 3.4Å; Y129-R282 HydrophobicContact CD1-CG 4.22Å; Y129-K283 WeakPolarHBondContact CA-O 3.3Å; Y129-K283 WeakPolarHBondContact CB-O 3.4Å; Y129-L284 HydrophobicContact CD1-CB 4.08Å; Y129-L284 HydrophobicContact CD1-CD1 4.21Å; Y129-L284 HydrophobicContact CE1-CB 3.91Å; Y129-L284 HydrophobicContact CE1-CD1 3.86Å; Y129-L284 HydrophobicContact CE1-CG 4.46Å; Y129-L284 HydrophobicContact CE2-CD1 4.48Å; Y129-M322 WeakPolarHBondContact O-CA 3.38Å; Y129-I323 PolarHBondContact N-O 2.74Å; Y129-I323 PolarHBondContact O-N 3.17Å
130	Y	98.5	Very high	96.7	Very high	6 Å²	6	51.3 Å²	51.3	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	141.6	155.7	61.4	-96.1	0	0	0	108.7	F189 W272 R282 K283 Y285 R321	Y130-F189 AromaticContact CD1-CD1 3.87Å; Y130-F189 HydrophobicContact CD1-CD1 3.87Å; Y130-F189 AromaticContact CD1-CE1 3.75Å; Y130-F189 HydrophobicContact CD1-CE1 3.75Å; Y130-F189 HydrophobicContact CD1-CZ 4.44Å; Y130-F189 HydrophobicContact CD2-CD1 4.01Å; Y130-F189 HydrophobicContact CD2-CD2 4.17Å; Y130-F189 HydrophobicContact CD2-CE1 4.08Å; Y130-F189 HydrophobicContact CD2-CE2 4.23Å; Y130-F189 HydrophobicContact CD2-CG 4.03Å; Y130-F189 HydrophobicContact CD2-CZ 4.16Å; Y130-F189 AromaticContact CE1-CD1 3.88Å; Y130-F189 HydrophobicContact CE1-CD1 3.88Å; Y130-F189 HydrophobicContact CE1-CE1 4.24Å; Y130-F189 HydrophobicContact CE2-CB 4.04Å; Y130-F189 AromaticContact CE2-CD1 3.97Å; Y130-F189 HydrophobicContact CE2-CD1 3.97Å; Y130-F189 HydrophobicContact CE2-CD2 4.31Å; Y130-F189 HydrophobicContact CE2-CE1 4.49Å; Y130-F189 AromaticContact CE2-CG 3.84Å; Y130-F189 HydrophobicContact CE2-CG 3.84Å; Y130-F189 AromaticContact CG-CD1 3.96Å; Y130-F189 HydrophobicContact CG-CD1 3.96Å; Y130-F189 AromaticContact CG-CE1 3.69Å; Y130-F189 HydrophobicContact CG-CE1 3.69Å; Y130-F189 HydrophobicContact CG-CE2 4.46Å; Y130-F189 HydrophobicContact CG-CG 4.44Å; Y130-F189 AromaticContact CG-CZ 3.93Å; Y130-F189 HydrophobicContact CG-CZ 3.93Å; Y130-F189 AromaticContact CZ-CD1 3.92Å; Y130-W272 HydrophobicContact CE2-CE3 4.32Å; Y130-W272 HydrophobicContact CE2-CZ3 4.29Å; Y130-R282 CarbonylContact O-C 3.53Å; Y130-R282 VanDerWaalsContact O-CA 3.28Å; Y130-R282 WeakPolarHBondContact O-CA 3.23Å; Y130-K283 HydrophobicContact CD2-CB 4.26Å; Y130-K283 HydrophobicContact CE1-CB 3.95Å; Y130-K283 HydrophobicContact CE2-CB 3.6Å; Y130-K283 HydrophobicContact CE2-CD 3.79Å; Y130-K283 HydrophobicContact CE2-CG 4.2Å; Y130-K283 VanDerWaalsContact CZ-CB 3.4Å; Y130-K283 PolarHBondContact N-O 2.86Å; Y130-K283 PolarHBondContact O-N 3.5Å; Y130-K283 WeakPolarHBondContact OH-CB 3.43Å; Y130-K283 WeakPolarHBondContact OH-CD 3.4Å; Y130-Y285 AromaticContact CD1-CD2 3.9Å; Y130-Y285 HydrophobicContact CD1-CD2 3.9Å; Y130-Y285 HydrophobicContact CD1-CG 4.11Å; Y130-Y285 HydrophobicContact CE1-CD2 4.14Å; Y130-R321 CarbonylContact C-O 3.54Å; Y130-R321 WeakPolarHBondContact CA-O 3.42Å
131	G	98.3	Very high	96.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.9	175.1	0	0	0	0	0	110.9	F281 K320 R321	G131-F281 WeakPolarHBondContact CA-O 3.28Å; G131-K320 WeakPolarHBondContact O-CA 3.43Å; G131-R321 PolarHBondContact N-O 3.22Å; G131-R321 WeakPolarHBondContact O-CG 3.31Å; G131-R321 PolarHBondContact O-N 3.04Å
132	L	98.4	Very high	96.9	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.9	172.1	-64.3	178	0	0	0	108.6	F135 F189 W272 T280 F281 Y311 V313 R319 K320	L132-F135 HydrophobicContact CB-CB 4.31Å; L132-F189 HydrophobicContact CD1-CD2 4.3Å; L132-F189 HydrophobicContact CD2-CD2 4.34Å; L132-F189 HydrophobicContact CD2-CE2 4.23Å; L132-W272 HydrophobicContact CD1-CH2 3.99Å; L132-W272 HydrophobicContact CD1-CZ3 3.88Å; L132-T280 WeakPolarHBondContact O-CA 3.19Å; L132-F281 HydrophobicContact CB-CE1 4.15Å; L132-F281 HydrophobicContact CB-CE2 4.2Å; L132-F281 HydrophobicContact CB-CZ 3.87Å; L132-F281 HydrophobicContact CD1-CE2 4.19Å; L132-F281 HydrophobicContact CD1-CZ 3.82Å; L132-F281 HydrophobicContact CG-CE2 4.46Å; L132-F281 HydrophobicContact CG-CZ 4.31Å; L132-F281 PolarHBondContact N-O 3.42Å; L132-F281 PolarHBondContact O-N 3.28Å; L132-Y311 HydrophobicContact CD1-CE1 3.98Å; L132-Y311 HydrophobicContact CD2-CD1 4.38Å; L132-Y311 HydrophobicContact CD2-CE1 4.38Å; L132-V313 HydrophobicContact CD2-CG1 4.31Å; L132-R319 WeakPolarHBondContact CA-O 3.45Å; L132-K320 HydrophobicContact CD2-CB 4.5Å; L132-K320 HydrophobicContact CD2-CD 4.36Å; L132-K320 HydrophobicContact CD2-CG 3.78Å
133	S	98.1	Very high	97	Very high	21 Å²	21	57.9 Å²	57.9	15%	0.147	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	158.8	168.6	72.4	0	0	0	0	110.7	F135 P279 G318 R319	S133-F135 PolarHBondContact O-N 3.13Å; S133-P279 CarbonylContact C-O 3.22Å; S133-G318 VanDerWaalsContact O-CA 3.3Å; S133-G318 WeakPolarHBondContact O-CA 3.35Å; S133-R319 PolarHBondContact N-O 3.32Å; S133-R319 WeakPolarHBondContact OG-CB 3.21Å; S133-R319 WeakPolarHBondContact OG-CG 3.22Å; S133-R319 PolarHBondContact OG-N 3.43Å
134	N	97.6	Very high	97.2	Very high	57 Å²	57	56 Å²	56	31%	0.305	25%	0.251	S	S	.	.	S	Bend	trans	55.7	31.3	-176.9	-148.8	25.4	0	0	0	113.7	Y136 P279 F316	N134-Y136 VanDerWaalsContact OD1-CE2 3.24Å; N134-Y136 WeakPolarHBondContact OD1-CE2 3.42Å; N134-Y136 PolarHBondContact OD1-OH 3.28Å; N134-P279 PolarHBondContact N-O 3.4Å; N134-F316 PolarHBondContact ND2-O 2.75Å
135	F	97.9	Very high	97.5	Very high	27 Å²	27	54 Å²	54	12%	0.118	24%	0.237	C	C	.	.			trans	-119.7	102.3	179.1	-169.4	-91.4	0	0	0	110.6	L132 S133 Q137 Y142 W272 P279 F281 Y311 F316	L132-F135 HydrophobicContact CB-CB 4.31Å; S133-F135 PolarHBondContact O-N 3.13Å; F135-Q137 HydrophobicContact CD1-CG 3.57Å; F135-Q137 HydrophobicContact CE1-CG 3.49Å; F135-Q137 VanDerWaalsContact CE1-CG 3.49Å; F135-Q137 PolarHBondContact O-N 3.48Å; F135-Y142 HydrophobicContact CZ-CE2 4.43Å; F135-W272 HydrophobicContact CD1-CH2 4.33Å; F135-W272 AromaticContact CE1-CH2 3.66Å; F135-W272 HydrophobicContact CE1-CH2 3.66Å; F135-W272 AromaticContact CE1-CZ2 3.86Å; F135-W272 HydrophobicContact CE1-CZ2 3.86Å; F135-W272 AromaticContact CZ-CH2 4Å; F135-W272 HydrophobicContact CZ-CH2 4Å; F135-W272 HydrophobicContact CZ-CZ2 4.02Å; F135-P279 PolarHBondContact N-O 2.93Å; F135-P279 WeakPolarHBondContact O-CA 3.48Å; F135-F281 HydrophobicContact CB-CE1 4.05Å; F135-F281 AromaticContact CD1-CE1 3.79Å; F135-F281 HydrophobicContact CD1-CE1 3.79Å; F135-F281 AromaticContact CD1-CZ 3.81Å; F135-F281 HydrophobicContact CD1-CZ 3.81Å; F135-F281 HydrophobicContact CG-CE1 4.38Å; F135-F281 WeakPolarHBondContact O-CE1 3.38Å; F135-Y311 WeakPolarHBondContact CE2-OH 3.35Å; F135-Y311 VanDerWaalsContact CZ-OH 3.3Å; F135-Y311 WeakPolarHBondContact CZ-OH 3.37Å; F135-F316 HydrophobicContact CB-CE2 4.47Å; F135-F316 AromaticContact CD2-CE2 3.93Å; F135-F316 HydrophobicContact CD2-CE2 3.93Å; F135-F316 AromaticContact CD2-CZ 3.79Å; F135-F316 HydrophobicContact CD2-CZ 3.79Å; F135-F316 HydrophobicContact CE2-CZ 4.36Å
136	Y	97.5	Very high	97.7	Very high	131 Å²	131	53.9 Å²	53.9	51%	0.514	23%	0.232	S	C	.	.			trans	-84.6	73.6	-168.8	-64	-95.8	0	0	0	113.2	N134 N138 H139 P279	N134-Y136 VanDerWaalsContact OD1-CE2 3.24Å; N134-Y136 WeakPolarHBondContact OD1-CE2 3.42Å; N134-Y136 PolarHBondContact OD1-OH 3.28Å; Y136-N138 PolarHBondContact O-N 3.14Å; Y136-H139 PolarHBondContact O-N 2.77Å; Y136-P279 HydrophobicContact CD1-CB 3.65Å; Y136-P279 HydrophobicContact CD1-CG 4.26Å; Y136-P279 HydrophobicContact CD2-CB 4.34Å; Y136-P279 HydrophobicContact CE1-CB 3.51Å; Y136-P279 HydrophobicContact CE1-CG 3.82Å; Y136-P279 HydrophobicContact CE2-CB 4.22Å; Y136-P279 HydrophobicContact CG-CB 4.06Å
137	Q	97.7	Very high	97.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.4	173.4	-70.5	-163.6	-22.6	0	0	113.5	F135 H139 Y142 V143 W272 A276 F281	F135-Q137 HydrophobicContact CD1-CG 3.57Å; F135-Q137 HydrophobicContact CE1-CG 3.49Å; F135-Q137 VanDerWaalsContact CE1-CG 3.49Å; F135-Q137 PolarHBondContact O-N 3.48Å; Q137-H139 VanDerWaalsContact C-N 3.28Å; Q137-H139 PolarHBondContact O-N 2.76Å; Q137-Y142 HydrophobicContact CB-CD1 4.29Å; Q137-Y142 HydrophobicContact CB-CE1 3.92Å; Q137-Y142 HydrophobicContact CG-CE1 3.8Å; Q137-Y142 VanDerWaalsContact O-CD1 3.22Å; Q137-Y142 WeakPolarHBondContact O-CD1 3.33Å; Q137-V143 WeakPolarHBondContact O-CG2 2.89Å; Q137-W272 VanDerWaalsContact NE2-CZ2 3.29Å; Q137-A276 HydrophobicContact CB-CB 4.42Å; Q137-F281 HydrophobicContact CG-CE1 3.99Å; Q137-F281 HydrophobicContact CG-CZ 4.04Å
138	N	97.1	Very high	97.7	Very high	73 Å²	73	56.1 Å²	56.1	39%	0.39	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.2	-178.7	64.8	-11.1	0	0	0	113.8	Y136 R140 A277	Y136-N138 PolarHBondContact O-N 3.14Å; N138-R140 PolarHBondContact O-N 3.3Å; N138-A277 PolarHBondContact ND2-O 3.08Å
139	H	97.5	Very high	97.7	Very high	108 Å²	108	59 Å²	59	50%	0.5	27%	0.266	S	S	.	.			trans	-63.3	129.6	177.3	-173.4	-91.7	0	0	0	110.8	Y136 Q137 R141 Y142 V143	Y136-H139 PolarHBondContact O-N 2.77Å; Q137-H139 VanDerWaalsContact C-N 3.28Å; Q137-H139 PolarHBondContact O-N 2.76Å; H139-R141 VanDerWaalsContact C-N 3.31Å; H139-R141 PolarHBondContact ND1-N 3.43Å; H139-R141 PolarHBondContact O-N 3.16Å; H139-R141 VanDerWaalsContact O-N 3.13Å; H139-Y142 WeakPolarHBondContact O-CA 3.47Å; H139-Y142 WeakPolarHBondContact O-CB 3.04Å; H139-Y142 PolarHBondContact O-N 3.01Å; H139-V143 PolarHBondContact O-N 3.14Å
140	R	96.6	Very high	97.7	Very high	184 Å²	184	57.1 Å²	57.1	69%	0.694	26%	0.259	S	S	*	.	H	α-helix	trans	-50.1	-45.8	-172.1	-179.3	-178.8	177.5	-133.1	1.8	113.7	N138 Y142 K144	N138-R140 PolarHBondContact O-N 3.3Å; R140-Y142 VanDerWaalsContact C-N 3.32Å; R140-K144 HydrophobicContact CG-CD 4.2Å; R140-K144 WeakPolarHBondContact O-CB 3.37Å; R140-K144 WeakPolarHBondContact O-CG 3.24Å; R140-K144 PolarHBondContact O-N 2.91Å; R140-K144 VanDerWaalsContact O-N 3.16Å
141	R	96.5	Very high	97.6	Very high	209 Å²	209	57 Å²	57	79%	0.789	26%	0.259	S	S	*	.	H	α-helix	trans	-68.5	-31.9	179.1	-68.9	-174.2	176.9	177.1	-0.9	112.6	H139 S145	H139-R141 VanDerWaalsContact C-N 3.31Å; H139-R141 PolarHBondContact ND1-N 3.43Å; H139-R141 PolarHBondContact O-N 3.16Å; H139-R141 VanDerWaalsContact O-N 3.13Å; R141-S145 VanDerWaalsContact O-CB 3.29Å; R141-S145 WeakPolarHBondContact O-CB 3.22Å; R141-S145 PolarHBondContact O-N 3.43Å
142	Y	97.5	Very high	97.6	Very high	30 Å²	30	60 Å²	60	12%	0.118	28%	0.275	C	S	.	.	H	α-helix	trans	-71.5	-50.7	177.9	-175.4	-88.8	0	0	0	110.4	F135 Q137 H139 R140 K144 S145 A183 I184 S187 W272	F135-Y142 HydrophobicContact CZ-CE2 4.43Å; Q137-Y142 HydrophobicContact CB-CD1 4.29Å; Q137-Y142 HydrophobicContact CB-CE1 3.92Å; Q137-Y142 HydrophobicContact CG-CE1 3.8Å; Q137-Y142 VanDerWaalsContact O-CD1 3.22Å; Q137-Y142 WeakPolarHBondContact O-CD1 3.33Å; H139-Y142 WeakPolarHBondContact O-CA 3.47Å; H139-Y142 WeakPolarHBondContact O-CB 3.04Å; H139-Y142 PolarHBondContact O-N 3.01Å; R140-Y142 VanDerWaalsContact C-N 3.32Å; Y142-K144 VanDerWaalsContact C-N 3.29Å; Y142-K144 PolarHBondContact O-N 2.99Å; Y142-S145 PolarHBondContact O-N 2.94Å; Y142-A183 HydrophobicContact CD2-CB 3.95Å; Y142-A183 HydrophobicContact CE2-CB 4.28Å; Y142-I184 HydrophobicContact CD1-CG1 3.9Å; Y142-I184 HydrophobicContact CE1-CB 4.22Å; Y142-I184 HydrophobicContact CE1-CG1 3.72Å; Y142-I184 HydrophobicContact CE1-CG2 4.23Å; Y142-I184 VanDerWaalsContact O-CG1 3.22Å; Y142-I184 WeakPolarHBondContact O-CG1 3.22Å; Y142-S187 VanDerWaalsContact CE2-OG 3.32Å; Y142-S187 WeakPolarHBondContact CE2-OG 3.32Å; Y142-S187 PolarHBondContact OH-OG 3.3Å; Y142-W272 WeakPolarHBondContact OH-CZ2 3.3Å
143	V	97.4	Very high	97.4	Very high	48 Å²	48	60.5 Å²	60.5	29%	0.291	28%	0.28	S	S	.	.	H	α-helix	trans	-59.5	-39.1	180	178.8	0	0	0	0	112.4	Q137 H139 S145 T275	Q137-V143 WeakPolarHBondContact O-CG2 2.89Å; H139-V143 PolarHBondContact O-N 3.14Å; V143-S145 VanDerWaalsContact C-N 3.31Å; V143-T275 HydrophobicContact CG2-CG2 4.34Å
144	K	97.2	Very high	97.3	Very high	94 Å²	94	62.1 Å²	62.1	41%	0.409	29%	0.289	S	S	.	.	H	α-helix	trans	-71.3	-24.1	177.9	-77.2	-178.8	155.3	-134.3	0	113.7	R140 Y142 R146 E164	R140-K144 HydrophobicContact CG-CD 4.2Å; R140-K144 WeakPolarHBondContact O-CB 3.37Å; R140-K144 WeakPolarHBondContact O-CG 3.24Å; R140-K144 PolarHBondContact O-N 2.91Å; R140-K144 VanDerWaalsContact O-N 3.16Å; Y142-K144 VanDerWaalsContact C-N 3.29Å; Y142-K144 PolarHBondContact O-N 2.99Å; K144-R146 VanDerWaalsContact C-N 3.28Å; K144-R146 PolarHBondContact O-N 2.65Å; K144-E164 IonicContact NZ-OE2 3.72Å; K144-E164 WeakPolarHBondContact O-CB 3.41Å
145	S	98.1	Very high	97	Very high	4 Å²	4	64.1 Å²	64.1	3%	0.028	30%	0.297	C	S	.	.			trans	-81	74.3	-171.9	-166.8	0	0	0	0	112	R141 Y142 V143 E164 G182 A183	R141-S145 VanDerWaalsContact O-CB 3.29Å; R141-S145 WeakPolarHBondContact O-CB 3.22Å; R141-S145 PolarHBondContact O-N 3.43Å; Y142-S145 PolarHBondContact O-N 2.94Å; V143-S145 VanDerWaalsContact C-N 3.31Å; S145-E164 VanDerWaalsContact CA-O 3.31Å; S145-E164 WeakPolarHBondContact CA-O 3.23Å; S145-E164 PolarHBondContact OG-O 3.04Å; S145-G182 CarbonylContact O-C 3.46Å; S145-G182 VanDerWaalsContact O-CA 3.23Å; S145-G182 WeakPolarHBondContact O-CA 3.41Å; S145-G182 WeakPolarHBondContact OG-CA 3.44Å; S145-A183 PolarHBondContact O-N 3.35Å; S145-A183 PolarHBondContact OG-N 3.27Å
146	R	97.6	Very high	96.8	Very high	58 Å²	58	66.7 Å²	66.7	22%	0.219	32%	0.318	C	S	.	.			trans	-161	164.8	172.2	68.4	-177.9	-156.5	-146.6	-5.3	110.5	K144 D148 L151 C165 I184 M273	K144-R146 VanDerWaalsContact C-N 3.28Å; K144-R146 PolarHBondContact O-N 2.65Å; R146-D148 IonicContact CZ-OD1 2.79Å; R146-D148 IonicContact CZ-OD2 2.88Å; R146-D148 IonicContact NE-OD1 3.67Å; R146-D148 PolarHBondContact NE-OD1 3.3Å; R146-D148 IonicContact NE-OD2 3.57Å; R146-D148 PolarHBondContact NE-OD2 2.8Å; R146-D148 IonicContact NH2-OD1 2.88Å; R146-D148 PolarHBondContact NH2-OD1 2.88Å; R146-D148 IonicContact NH2-OD2 2.68Å; R146-D148 PolarHBondContact NH2-OD2 3.29Å; R146-L151 HydrophobicContact CB-CD1 4.49Å; R146-C165 VanDerWaalsContact CA-SG 3.55Å; R146-I184 HydrophobicContact CB-CD1 4.21Å; R146-I184 HydrophobicContact CG-CD1 4.29Å; R146-M273 HydrophobicContact CB-CE 4.24Å
147	D	98.3	Very high	96.7	Very high	13 Å²	13	61.2 Å²	61.2	7%	0.07	30%	0.299	C	S	.	.			trans	-122.6	104.7	171.5	-175.2	-21	0	0	0	110.3	S149 Q150 L151 P161 S162	D147-S149 VanDerWaalsContact C-N 3.25Å; D147-S149 PolarHBondContact O-N 3.25Å; D147-S149 WeakPolarHBondContact OD1-CA 3.49Å; D147-S149 WeakPolarHBondContact OD1-CB 3.49Å; D147-S149 PolarHBondContact OD1-N 3.24Å; D147-Q150 HydrophobicContact CB-CB 3.79Å; D147-Q150 PolarHBondContact O-N 3.41Å; D147-Q150 PolarHBondContact OD1-N 3.02Å; D147-L151 VanDerWaalsContact O-CG 3.25Å; D147-L151 WeakPolarHBondContact O-CG 3.37Å; D147-L151 PolarHBondContact O-N 3.21Å; D147-P161 WeakPolarHBondContact OD2-CA 3.48Å; D147-S162 WeakPolarHBondContact OD2-CB 3.44Å; D147-S162 PolarHBondContact OD2-N 3.07Å
148	D	97.8	Very high	96.5	Very high	75 Å²	75	61.4 Å²	61.4	40%	0.401	30%	0.3	S	S	.	.	H	α-helix	trans	-66.9	-25.2	-179.2	-71.7	-30.1	0	0	0	112.6	R146 N152	R146-D148 IonicContact CZ-OD1 2.79Å; R146-D148 IonicContact CZ-OD2 2.88Å; R146-D148 IonicContact NE-OD1 3.67Å; R146-D148 PolarHBondContact NE-OD1 3.3Å; R146-D148 IonicContact NE-OD2 3.57Å; R146-D148 PolarHBondContact NE-OD2 2.8Å; R146-D148 IonicContact NH2-OD1 2.88Å; R146-D148 PolarHBondContact NH2-OD1 2.88Å; R146-D148 IonicContact NH2-OD2 2.68Å; R146-D148 PolarHBondContact NH2-OD2 3.29Å; D148-N152 VanDerWaalsContact O-CB 3.29Å; D148-N152 WeakPolarHBondContact O-CB 3.47Å; D148-N152 PolarHBondContact O-N 3.35Å; D148-N152 VanDerWaalsContact O-N 3.09Å
149	S	97.8	Very high	96.3	Very high	59 Å²	59	62.3 Å²	62.3	41%	0.413	31%	0.308	S	S	.	.	H	α-helix	trans	-74.6	-38.5	174.8	-60.7	0	0	0	0	111.3	D147 N152 G153 V154 S157	D147-S149 VanDerWaalsContact C-N 3.25Å; D147-S149 PolarHBondContact O-N 3.25Å; D147-S149 WeakPolarHBondContact OD1-CA 3.49Å; D147-S149 WeakPolarHBondContact OD1-CB 3.49Å; D147-S149 PolarHBondContact OD1-N 3.24Å; S149-N152 PolarHBondContact O-N 3.14Å; S149-G153 PolarHBondContact O-N 3.41Å; S149-V154 VanDerWaalsContact O-CB 3.3Å; S149-V154 WeakPolarHBondContact O-CB 3.46Å; S149-V154 WeakPolarHBondContact O-CG2 3.39Å; S149-V154 PolarHBondContact O-N 3.09Å; S149-S157 WeakPolarHBondContact CB-OG 3.29Å
150	Q	97.6	Very high	96.2	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-47.4	172.5	-171.7	-171.6	57.4	0	0	110.8	D147 N152 G153 L158 I178 F264	D147-Q150 HydrophobicContact CB-CB 3.79Å; D147-Q150 PolarHBondContact O-N 3.41Å; D147-Q150 PolarHBondContact OD1-N 3.02Å; Q150-N152 PolarHBondContact O-N 3.41Å; Q150-G153 PolarHBondContact O-N 2.66Å; Q150-L158 HydrophobicContact CG-CD1 4.18Å; Q150-I178 PolarHBondContact NE2-O 3.31Å; Q150-F264 HydrophobicContact CG-CE2 4.34Å; Q150-F264 HydrophobicContact CG-CZ 4.21Å; Q150-F264 WeakPolarHBondContact O-CE2 3.15Å
151	L	97.8	Very high	96.1	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-66.4	-22.9	-179.6	-64.3	168.7	0	0	0	113.2	R146 D147 G153 P180 F224 R225 F264 F269 M273	R146-L151 HydrophobicContact CB-CD1 4.49Å; D147-L151 VanDerWaalsContact O-CG 3.25Å; D147-L151 WeakPolarHBondContact O-CG 3.37Å; D147-L151 PolarHBondContact O-N 3.21Å; L151-G153 VanDerWaalsContact C-N 3.27Å; L151-P180 HydrophobicContact CD2-CB 3.94Å; L151-F224 HydrophobicContact CB-CD1 3.98Å; L151-F224 HydrophobicContact CB-CE1 4.01Å; L151-F224 HydrophobicContact CD1-CE1 3.97Å; L151-F224 HydrophobicContact CD2-CD1 4.4Å; L151-F224 HydrophobicContact CD2-CE1 4.12Å; L151-F224 HydrophobicContact CG-CE1 4.25Å; L151-F224 WeakPolarHBondContact O-CA 3.23Å; L151-R225 PolarHBondContact O-N 3.37Å; L151-F264 HydrophobicContact CD2-CD1 4.26Å; L151-F264 HydrophobicContact CD2-CE1 4.4Å; L151-F269 HydrophobicContact CD2-CE1 3.86Å; L151-F269 HydrophobicContact CD2-CZ 3.72Å; L151-M273 HydrophobicContact CD1-CE 3.51Å; L151-M273 HydrophobicContact CD2-CE 4.28Å
152	N	97.1	Very high	96.1	Very high	64 Å²	64	45.5 Å²	45.5	34%	0.342	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	10.5	171.4	-167.2	33.3	0	0	0	113.1	D148 S149 Q150 V154	D148-N152 VanDerWaalsContact O-CB 3.29Å; D148-N152 WeakPolarHBondContact O-CB 3.47Å; D148-N152 PolarHBondContact O-N 3.35Å; D148-N152 VanDerWaalsContact O-N 3.09Å; S149-N152 PolarHBondContact O-N 3.14Å; Q150-N152 PolarHBondContact O-N 3.41Å; N152-V154 PolarHBondContact O-N 3.36Å
153	G	94.7	Very high	96.1	Very high	11 Å²	11	51.2 Å²	51.2	11%	0.113	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	19.5	173.4	0	0	0	0	0	115	S149 Q150 L151 Q155 R225 P227	S149-G153 PolarHBondContact O-N 3.41Å; Q150-G153 PolarHBondContact O-N 2.66Å; L151-G153 VanDerWaalsContact C-N 3.27Å; G153-Q155 PolarHBondContact O-N 2.97Å; G153-R225 WeakPolarHBondContact CA-O 3.38Å; G153-R225 PolarHBondContact N-O 2.79Å; G153-P227 VanDerWaalsContact O-CA 3.27Å; G153-P227 WeakPolarHBondContact O-CA 3.26Å; G153-P227 WeakPolarHBondContact O-CB 3.13Å
154	V	95.2	Very high	96.1	Very high	55 Å²	55	53.7 Å²	53.7	33%	0.333	29%	0.289	S	S	.	.			trans	-72	120.4	177.2	180	0	0	0	0	110.1	S149 N152 S156 S157 L158	S149-V154 VanDerWaalsContact O-CB 3.3Å; S149-V154 WeakPolarHBondContact O-CB 3.46Å; S149-V154 WeakPolarHBondContact O-CG2 3.39Å; S149-V154 PolarHBondContact O-N 3.09Å; N152-V154 PolarHBondContact O-N 3.36Å; V154-S156 VanDerWaalsContact C-N 3.34Å; V154-S156 WeakPolarHBondContact CG1-OG 3.17Å; V154-S156 PolarHBondContact O-N 3.27Å; V154-S157 PolarHBondContact O-N 3.16Å; V154-S157 VanDerWaalsContact O-N 3.14Å; V154-L158 PolarHBondContact O-N 2.63Å; V154-L158 VanDerWaalsContact O-N 3.16Å
155	Q	91.9	Very high	96.1	Very high	100 Å²	100	49.2 Å²	49.2	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-37.7	-173.3	-166.6	65.3	22.4	0	0	113.7	G153 S157 L158 T159	G153-Q155 PolarHBondContact O-N 2.97Å; Q155-S157 VanDerWaalsContact C-N 3.34Å; Q155-S157 PolarHBondContact O-N 3.09Å; Q155-L158 WeakPolarHBondContact O-CB 3.42Å; Q155-L158 PolarHBondContact O-N 3.44Å; Q155-T159 PolarHBondContact O-N 2.8Å
156	S	94.1	Very high	95.9	Very high	81 Å²	81	54.6 Å²	54.6	57%	0.566	29%	0.294	S	S	*	.	H	α-helix	trans	-66.5	-35.3	178.2	54.4	0	0	0	0	112.6	V154 L158 T159 N160	V154-S156 VanDerWaalsContact C-N 3.34Å; V154-S156 WeakPolarHBondContact CG1-OG 3.17Å; V154-S156 PolarHBondContact O-N 3.27Å; S156-L158 VanDerWaalsContact C-N 3.29Å; S156-T159 PolarHBondContact O-OG1 3.2Å; S156-N160 PolarHBondContact O-N 2.71Å
157	S	95.6	Very high	95.9	Very high	16 Å²	16	56.6 Å²	56.6	11%	0.112	31%	0.314	C	S	.	.	H	α-helix	trans	-76	-17.2	175.2	-61.7	0	0	0	0	112.9	S149 V154 Q155 P161	S149-S157 WeakPolarHBondContact CB-OG 3.29Å; V154-S157 PolarHBondContact O-N 3.16Å; V154-S157 VanDerWaalsContact O-N 3.14Å; Q155-S157 VanDerWaalsContact C-N 3.34Å; Q155-S157 PolarHBondContact O-N 3.09Å; S157-P161 VanDerWaalsContact O-CA 3.3Å; S157-P161 WeakPolarHBondContact O-CA 3.37Å; S157-P161 WeakPolarHBondContact O-CG 3.34Å
158	L	93.9	Very high	95.8	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-73.3	-42	173.9	-164.5	70	0	0	0	111.6	Q150 V154 Q155 S156 A179 P227 R237 F238 T241 F264	Q150-L158 HydrophobicContact CG-CD1 4.18Å; V154-L158 PolarHBondContact O-N 2.63Å; V154-L158 VanDerWaalsContact O-N 3.16Å; Q155-L158 WeakPolarHBondContact O-CB 3.42Å; Q155-L158 PolarHBondContact O-N 3.44Å; S156-L158 VanDerWaalsContact C-N 3.29Å; L158-A179 HydrophobicContact CD1-CB 3.75Å; L158-P227 HydrophobicContact CD1-CG 4.46Å; L158-P227 HydrophobicContact CD2-CB 4.13Å; L158-P227 HydrophobicContact CD2-CG 3.89Å; L158-R237 WeakPolarHBondContact CD2-O 3.43Å; L158-F238 HydrophobicContact CD1-CD1 4.01Å; L158-F238 HydrophobicContact CD1-CE1 3.98Å; L158-F238 HydrophobicContact CD2-CD1 4.48Å; L158-T241 HydrophobicContact CD1-CG2 3.94Å; L158-T241 HydrophobicContact CD2-CG2 4.15Å; L158-T241 HydrophobicContact CG-CG2 3.64Å; L158-F264 HydrophobicContact CD1-CE2 4.43Å; L158-F264 HydrophobicContact CD1-CZ 4.4Å
159	T	92.3	Very high	95.8	Very high	92 Å²	92	58.5 Å²	58.5	56%	0.564	32%	0.316	S	S	*	.	H	α-helix	trans	-83	-31.5	178.4	56.1	0	0	0	0	112.9	Q155 S156	Q155-T159 PolarHBondContact O-N 2.8Å; S156-T159 PolarHBondContact O-OG1 3.2Å
160	N	95.1	Very high	95.7	Very high	101 Å²	101	58.8 Å²	58.8	54%	0.54	32%	0.315	S	S	.	.	S	Bend	trans	-133.9	79.4	178.8	-175.3	31.8	0	0	0	111.3	S156 R169	S156-N160 PolarHBondContact O-N 2.71Å; N160-R169 PolarHBondContact OD1-NH2 3.13Å
161	P	95.5	Very high	95.5	Very high	4 Å²	4	59.9 Å²	59.9	3%	0.026	32%	0.321	C	S	.	.			trans	-66.8	160.9	-179.1	-14	27.1	0	0	0	112.3	D147 S157 R169 P177 C181	D147-P161 WeakPolarHBondContact OD2-CA 3.48Å; S157-P161 VanDerWaalsContact O-CA 3.3Å; S157-P161 WeakPolarHBondContact O-CA 3.37Å; S157-P161 WeakPolarHBondContact O-CG 3.34Å; P161-R169 HydrophobicContact CB-CG 4.32Å; P161-R169 PolarHBondContact O-NE 3.41Å; P161-R169 PolarHBondContact O-NH2 2.97Å; P161-P177 HydrophobicContact CG-CB 3.93Å; P161-C181 HydrophobicContact CB-CB 4.11Å; P161-C181 WeakPolarHBondContact CB-SG 3.21Å; P161-C181 HydrophobicContact CG-CB 4.47Å
162	S	96.6	Very high	95.2	Very high	44 Å²	44	63.5 Å²	63.5	31%	0.308	35%	0.345	S	S	.	.			trans	-54	147.1	178.5	179.7	0	0	0	0	113.4	D147 E164 C165 R169	D147-S162 WeakPolarHBondContact OD2-CB 3.44Å; D147-S162 PolarHBondContact OD2-N 3.07Å; S162-E164 PolarHBondContact O-N 3.42Å; S162-E164 PolarHBondContact OG-N 3.3Å; S162-C165 WeakPolarHBondContact O-CB 3.16Å; S162-C165 PolarHBondContact O-N 3.24Å; S162-R169 WeakPolarHBondContact O-CD 3.34Å
163	K	96.7	Very high	94.8	Very high	149 Å²	149	68.7 Å²	68.7	65%	0.648	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-65.1	-24.2	173.5	-65.4	-177	-179.8	-179.3	0	112.9	C165 E166	K163-C165 PolarHBondContact O-N 3.31Å; K163-C165 VanDerWaalsContact O-N 3.14Å; K163-E166 WeakPolarHBondContact O-CB 3.39Å; K163-E166 WeakPolarHBondContact O-CG 3.42Å; K163-E166 PolarHBondContact O-N 3.23Å; K163-E166 VanDerWaalsContact O-N 3.08Å
164	E	97.1	Very high	94.7	Very high	100 Å²	100	71.6 Å²	71.6	47%	0.467	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-62.8	-20.8	177.2	-61.2	-71.7	140.8	0	0	112	K144 S145 S162 E166	K144-E164 IonicContact NZ-OE2 3.72Å; K144-E164 WeakPolarHBondContact O-CB 3.41Å; S145-E164 VanDerWaalsContact CA-O 3.31Å; S145-E164 WeakPolarHBondContact CA-O 3.23Å; S145-E164 PolarHBondContact OG-O 3.04Å; S162-E164 PolarHBondContact O-N 3.42Å; S162-E164 PolarHBondContact OG-N 3.3Å; E164-E166 PolarHBondContact O-N 3.34Å
165	C	97.1	Very high	94.6	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-70.9	-6.8	174.8	-83.4	0	0	0	0	114.5	R146 S162 K163 Y168 R169 C181	R146-C165 VanDerWaalsContact CA-SG 3.55Å; S162-C165 WeakPolarHBondContact O-CB 3.16Å; S162-C165 PolarHBondContact O-N 3.24Å; K163-C165 PolarHBondContact O-N 3.31Å; K163-C165 VanDerWaalsContact O-N 3.14Å; C165-Y168 CarbonylContact O-C 3.57Å; C165-Y168 VanDerWaalsContact O-CA 3.29Å; C165-Y168 WeakPolarHBondContact O-CA 3.45Å; C165-Y168 PolarHBondContact O-N 2.89Å; C165-R169 HydrophobicContact CB-CB 4.03Å; C165-R169 HydrophobicContact CB-CG 4.44Å; C165-R169 PolarHBondContact O-N 3.5Å; C165-C181 HydrophobicContact CB-CB 3.6Å; C165-C181 WeakPolarHBondContact CB-SG 3.46Å; C165-C181 WeakPolarHBondContact SG-CB 3.29Å; C165-C181 CovalentContact SG-SG 2.05Å; C165-C181 PolarHBondContact SG-SG 3.28Å
166	E	95.4	Very high	94.7	Very high	117 Å²	117	75.3 Å²	75.3	55%	0.547	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	139.3	179.2	-75.5	175	-169.3	0	0	112.2	K163 E164 R169	K163-E166 WeakPolarHBondContact O-CB 3.39Å; K163-E166 WeakPolarHBondContact O-CG 3.42Å; K163-E166 PolarHBondContact O-N 3.23Å; K163-E166 VanDerWaalsContact O-N 3.08Å; E164-E166 PolarHBondContact O-N 3.34Å; E166-R169 HydrophobicContact CG-CB 4.35Å; E166-R169 IonicContact OE1-NH1 3.87Å
167	P	95.9	Very high	94.9	Very high	100 Å²	100	72.6 Å²	72.6	65%	0.649	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.1	-6.7	2.5	34.5	-36.5	0	0	0	114.6	R169	P167-R169 PolarHBondContact O-N 3.07Å
168	Y	97.1	Very high	95	Very high	79 Å²	79	71.9 Å²	71.9	31%	0.31	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	33.9	-174.5	-51.5	-73.8	0	0	0	114.2	C165 C181 G182 A183 N186	C165-Y168 CarbonylContact O-C 3.57Å; C165-Y168 VanDerWaalsContact O-CA 3.29Å; C165-Y168 WeakPolarHBondContact O-CA 3.45Å; C165-Y168 PolarHBondContact O-N 2.89Å; Y168-C181 WeakPolarHBondContact O-CA 3.4Å; Y168-C181 WeakPolarHBondContact O-CB 3.44Å; Y168-G182 PolarHBondContact O-N 3.18Å; Y168-A183 VanDerWaalsContact CD2-CA 3.46Å; Y168-A183 HydrophobicContact CD2-CB 3.7Å; Y168-A183 HydrophobicContact CE2-CB 3.59Å; Y168-N186 HydrophobicContact CD1-CB 4.07Å; Y168-N186 HydrophobicContact CE1-CB 4.38Å; Y168-N186 VanDerWaalsContact CE1-ND2 3.32Å; Y168-N186 WeakPolarHBondContact CE1-ND2 3.47Å; Y168-N186 HydrophobicContact CG-CB 4.27Å
169	R	96.9	Very high	95.2	Very high	50 Å²	50	71.8 Å²	71.8	19%	0.189	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-38.8	179.2	-176.1	179.9	172.9	-146.9	-6.8	111.9	N160 P161 S162 C165 E166 P167 I178	N160-R169 PolarHBondContact OD1-NH2 3.13Å; P161-R169 HydrophobicContact CB-CG 4.32Å; P161-R169 PolarHBondContact O-NE 3.41Å; P161-R169 PolarHBondContact O-NH2 2.97Å; S162-R169 WeakPolarHBondContact O-CD 3.34Å; C165-R169 HydrophobicContact CB-CB 4.03Å; C165-R169 HydrophobicContact CB-CG 4.44Å; C165-R169 PolarHBondContact O-N 3.5Å; E166-R169 HydrophobicContact CG-CB 4.35Å; E166-R169 IonicContact OE1-NH1 3.87Å; P167-R169 PolarHBondContact O-N 3.07Å; R169-I178 PolarHBondContact O-N 2.75Å
170	T	96.2	Very high	95.4	Very high	65 Å²	65	67.4 Å²	67.4	40%	0.399	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-133.6	143.8	-177.3	52.1	0	0	0	0	109.6	Q176	T170-Q176 CarbonylContact C-O 3.56Å; T170-Q176 WeakPolarHBondContact CA-O 3.37Å
171	N	94.5	Very high	95.6	Very high	22 Å²	22	62.7 Å²	62.7	12%	0.118	32%	0.317	C	S	.	.			trans	-68.5	130	174.7	-175.4	-54.6	0	0	0	109.4	E173 T174 K175 Q176 I178 A242	N171-E173 VanDerWaalsContact C-N 3.27Å; N171-E173 PolarHBondContact O-N 2.92Å; N171-E173 PolarHBondContact OD1-N 2.86Å; N171-T174 WeakPolarHBondContact CB-OG1 3.38Å; N171-T174 PolarHBondContact OD1-N 2.72Å; N171-K175 VanDerWaalsContact O-CA 3.28Å; N171-K175 WeakPolarHBondContact O-CA 3.35Å; N171-K175 PolarHBondContact O-N 3.01Å; N171-Q176 PolarHBondContact N-O 3.27Å; N171-I178 HydrophobicContact CB-CD1 4.49Å; N171-I178 HydrophobicContact CB-CG1 4.24Å; N171-A242 HydrophobicContact CB-CB 3.9Å
172	P	90.3	Very high	95.7	Very high	81 Å²	81	62.5 Å²	62.5	53%	0.526	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.8	-176	23.8	-33.2	0	0	0	113.5	K175	P172-K175 PolarHBondContact O-NZ 2.74Å
173	E	89.8	Confident	95.8	Very high	172 Å²	172	61.1 Å²	61.1	80%	0.804	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-54.3	-176.1	-62.8	176.1	-177.1	0	0	111.6	N171	N171-E173 VanDerWaalsContact C-N 3.27Å; N171-E173 PolarHBondContact O-N 2.92Å; N171-E173 PolarHBondContact OD1-N 2.86Å
174	T	91.3	Very high	95.8	Very high	72 Å²	72	54 Å²	54	44%	0.442	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-11.6	-174.1	68	0	0	0	0	113.8	N171 Q176	N171-T174 WeakPolarHBondContact CB-OG1 3.38Å; N171-T174 PolarHBondContact OD1-N 2.72Å; T174-Q176 PolarHBondContact O-N 3.03Å; T174-Q176 PolarHBondContact OG1-N 2.88Å
175	K	92.6	Very high	95.9	Very high	156 Å²	156	49.2 Å²	49.2	68%	0.678	25%	0.254	S	S	*	.			trans	57.4	9	-172.1	-55.2	-55.7	-173.2	-158.1	0	115.1	N171 P172	N171-K175 VanDerWaalsContact O-CA 3.28Å; N171-K175 WeakPolarHBondContact O-CA 3.35Å; N171-K175 PolarHBondContact O-N 3.01Å; P172-K175 PolarHBondContact O-NZ 2.74Å
176	Q	95.6	Very high	95.9	Very high	78 Å²	78	49.5 Å²	49.5	36%	0.364	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-76.8	148.5	176.7	-70.3	174.4	-26.4	0	0	111.2	T170 N171 T174 A242	T170-Q176 CarbonylContact C-O 3.56Å; T170-Q176 WeakPolarHBondContact CA-O 3.37Å; N171-Q176 PolarHBondContact N-O 3.27Å; T174-Q176 PolarHBondContact O-N 3.03Å; T174-Q176 PolarHBondContact OG1-N 2.88Å; Q176-A242 HydrophobicContact CB-CB 4.02Å
177	P	97.2	Very high	96	Very high	23 Å²	23	44.9 Å²	44.9	15%	0.149	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-61.6	139.1	171.5	27.9	-35	0	0	0	110.4	P161 T241 A242	P161-P177 HydrophobicContact CG-CB 3.93Å; P177-T241 CarbonylContact O-C 3.57Å; P177-T241 WeakPolarHBondContact O-CA 3.24Å; P177-A242 PolarHBondContact O-N 2.64Å
178	I	98.1	Very high	96.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-84.9	133.1	178.6	-62.6	177.9	0	0	0	109.2	Q150 R169 N171 P180 C181 A242 P244 V245	Q150-I178 PolarHBondContact NE2-O 3.31Å; R169-I178 PolarHBondContact O-N 2.75Å; N171-I178 HydrophobicContact CB-CD1 4.49Å; N171-I178 HydrophobicContact CB-CG1 4.24Å; I178-P180 VanDerWaalsContact CG2-O 3.31Å; I178-P180 WeakPolarHBondContact CG2-O 3.37Å; I178-C181 WeakPolarHBondContact O-CB 3.39Å; I178-C181 PolarHBondContact O-N 3.02Å; I178-A242 WeakPolarHBondContact CA-O 3.36Å; I178-P244 HydrophobicContact CG2-CB 4.14Å; I178-P244 HydrophobicContact CG2-CG 3.89Å; I178-V245 HydrophobicContact CD1-CG2 4.33Å
179	A	97.4	Very high	96.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	20%	0.199	C	C	.	.	S	Bend	trans	-127.3	114.4	172.1	0	0	0	0	0	109.9	L158 F238 T241 A242 F264	L158-A179 HydrophobicContact CD1-CB 3.75Å; A179-F238 HydrophobicContact CB-CD1 4.08Å; A179-F238 HydrophobicContact CB-CE1 4.28Å; A179-T241 HydrophobicContact CB-CG2 3.81Å; A179-A242 PolarHBondContact N-O 3.19Å; A179-F264 HydrophobicContact CB-CZ 4.21Å
180	P	98	Very high	96	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	S	Bend	cis	-76.2	139.4	-5.6	29.6	-35.1	0	0	0	113.8	L151 I178 A185 P244 W247 F264 F269	L151-P180 HydrophobicContact CD2-CB 3.94Å; I178-P180 VanDerWaalsContact CG2-O 3.31Å; I178-P180 WeakPolarHBondContact CG2-O 3.37Å; P180-A185 HydrophobicContact CB-CB 3.77Å; P180-A185 HydrophobicContact CG-CB 3.54Å; P180-P244 HydrophobicContact CG-CG 4.18Å; P180-P244 WeakPolarHBondContact O-CG 3.3Å; P180-W247 HydrophobicContact CG-CH2 3.64Å; P180-W247 HydrophobicContact CG-CZ2 3.97Å; P180-W247 HydrophobicContact CG-CZ3 4.29Å; P180-F264 HydrophobicContact CB-CD1 4.39Å; P180-F264 HydrophobicContact CB-CE1 3.68Å; P180-F264 HydrophobicContact CB-CZ 4.41Å; P180-F264 HydrophobicContact CG-CE1 4.18Å; P180-F269 HydrophobicContact CB-CE2 4.32Å; P180-F269 HydrophobicContact CB-CZ 3.83Å; P180-F269 HydrophobicContact CG-CE2 3.75Å; P180-F269 HydrophobicContact CG-CZ 3.72Å
181	C	97.9	Very high	96	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	19%	0.186	C	C	.	.			trans	-79.1	158.6	176.1	76.4	0	0	0	0	113.2	P161 C165 Y168 I178	P161-C181 HydrophobicContact CB-CB 4.11Å; P161-C181 WeakPolarHBondContact CB-SG 3.21Å; P161-C181 HydrophobicContact CG-CB 4.47Å; C165-C181 HydrophobicContact CB-CB 3.6Å; C165-C181 WeakPolarHBondContact CB-SG 3.46Å; C165-C181 WeakPolarHBondContact SG-CB 3.29Å; C165-C181 CovalentContact SG-SG 2.05Å; C165-C181 PolarHBondContact SG-SG 3.28Å; Y168-C181 WeakPolarHBondContact O-CA 3.4Å; Y168-C181 WeakPolarHBondContact O-CB 3.44Å; I178-C181 WeakPolarHBondContact O-CB 3.39Å; I178-C181 PolarHBondContact O-N 3.02Å
182	G	98.1	Very high	96.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	102.8	161.5	168.2	0	0	0	0	0	115.8	S145 Y168 I184 A185 N186	S145-G182 CarbonylContact O-C 3.46Å; S145-G182 VanDerWaalsContact O-CA 3.23Å; S145-G182 WeakPolarHBondContact O-CA 3.41Å; S145-G182 WeakPolarHBondContact OG-CA 3.44Å; Y168-G182 PolarHBondContact O-N 3.18Å; G182-I184 VanDerWaalsContact C-N 3.3Å; G182-I184 PolarHBondContact O-N 3.17Å; G182-A185 PolarHBondContact O-N 3.28Å; G182-N186 WeakPolarHBondContact O-CB 3.34Å; G182-N186 PolarHBondContact O-N 2.79Å
183	A	97.9	Very high	96.5	Very high	15 Å²	15	33.5 Å²	33.5	12%	0.124	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-33.1	-174.2	0	0	0	0	0	112.9	Y142 S145 Y168 S187	Y142-A183 HydrophobicContact CD2-CB 3.95Å; Y142-A183 HydrophobicContact CE2-CB 4.28Å; S145-A183 PolarHBondContact O-N 3.35Å; S145-A183 PolarHBondContact OG-N 3.27Å; Y168-A183 VanDerWaalsContact CD2-CA 3.46Å; Y168-A183 HydrophobicContact CD2-CB 3.7Å; Y168-A183 HydrophobicContact CE2-CB 3.59Å; A183-S187 PolarHBondContact O-N 3.32Å; A183-S187 PolarHBondContact O-OG 3.41Å
184	I	98.2	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.9	-56.4	179.1	-52.2	175.4	0	0	0	108.9	Y142 R146 G182 N186 S187 W272 M273 T275	Y142-I184 HydrophobicContact CD1-CG1 3.9Å; Y142-I184 HydrophobicContact CE1-CB 4.22Å; Y142-I184 HydrophobicContact CE1-CG1 3.72Å; Y142-I184 HydrophobicContact CE1-CG2 4.23Å; Y142-I184 VanDerWaalsContact O-CG1 3.22Å; Y142-I184 WeakPolarHBondContact O-CG1 3.22Å; R146-I184 HydrophobicContact CB-CD1 4.21Å; R146-I184 HydrophobicContact CG-CD1 4.29Å; G182-I184 VanDerWaalsContact C-N 3.3Å; G182-I184 PolarHBondContact O-N 3.17Å; I184-N186 PolarHBondContact O-N 2.96Å; I184-S187 PolarHBondContact O-N 3.07Å; I184-S187 PolarHBondContact O-OG 3.09Å; I184-W272 PolarHBondContact O-NE1 2.77Å; I184-M273 HydrophobicContact CB-CE 4.27Å; I184-M273 HydrophobicContact CB-SD 4.07Å; I184-M273 HydrophobicContact CG2-CE 4.19Å; I184-M273 HydrophobicContact CG2-SD 3.59Å; I184-M273 VanDerWaalsContact CG2-SD 3.59Å; I184-T275 HydrophobicContact CD1-CG2 3.69Å; I184-T275 HydrophobicContact CG1-CG2 4.38Å
185	A	97.9	Very high	97.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.4	-42.1	-178.3	0	0	0	0	0	112	P180 G182 S187 L188 W247 F269 M273	P180-A185 HydrophobicContact CB-CB 3.77Å; P180-A185 HydrophobicContact CG-CB 3.54Å; G182-A185 PolarHBondContact O-N 3.28Å; A185-S187 PolarHBondContact O-N 3.31Å; A185-S187 VanDerWaalsContact O-N 3.14Å; A185-L188 WeakPolarHBondContact O-CB 3.45Å; A185-L188 PolarHBondContact O-N 3.23Å; A185-L188 VanDerWaalsContact O-N 3.08Å; A185-W247 HydrophobicContact CB-CZ2 4.43Å; A185-W247 WeakPolarHBondContact O-CZ2 3.44Å; A185-W247 PolarHBondContact O-NE1 3.33Å; A185-F269 HydrophobicContact CB-CE2 3.91Å; A185-F269 HydrophobicContact CB-CZ 4.37Å; A185-M273 HydrophobicContact CB-CE 4.42Å; A185-M273 HydrophobicContact CB-SD 3.85Å
186	N	97.6	Very high	97.4	Very high	6 Å²	6	18.5 Å²	18.5	3%	0.032	10%	0.098	C	C	.	.	H	α-helix	trans	-59.2	-28.4	179.1	-174.9	65.7	0	0	0	113.4	Y168 G182 I184 P244 V245 N246	Y168-N186 HydrophobicContact CD1-CB 4.07Å; Y168-N186 HydrophobicContact CE1-CB 4.38Å; Y168-N186 VanDerWaalsContact CE1-ND2 3.32Å; Y168-N186 WeakPolarHBondContact CE1-ND2 3.47Å; Y168-N186 HydrophobicContact CG-CB 4.27Å; G182-N186 WeakPolarHBondContact O-CB 3.34Å; G182-N186 PolarHBondContact O-N 2.79Å; I184-N186 PolarHBondContact O-N 2.96Å; N186-P244 HydrophobicContact CB-CB 4.28Å; N186-V245 PolarHBondContact OD1-N 2.81Å; N186-N246 PolarHBondContact ND2-ND2 3.38Å; N186-N246 WeakPolarHBondContact O-CB 2.86Å; N186-N246 PolarHBondContact OD1-N 3.37Å
187	S	97.1	Very high	97.3	Very high	20 Å²	20	17.3 Å²	17.3	14%	0.14	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	23.3	178.6	55.3	0	0	0	0	114	Y142 A183 I184 A185 F189 W272 Y311	Y142-S187 VanDerWaalsContact CE2-OG 3.32Å; Y142-S187 WeakPolarHBondContact CE2-OG 3.32Å; Y142-S187 PolarHBondContact OH-OG 3.3Å; A183-S187 PolarHBondContact O-N 3.32Å; A183-S187 PolarHBondContact O-OG 3.41Å; I184-S187 PolarHBondContact O-N 3.07Å; I184-S187 PolarHBondContact O-OG 3.09Å; A185-S187 PolarHBondContact O-N 3.31Å; A185-S187 VanDerWaalsContact O-N 3.14Å; S187-F189 PolarHBondContact O-N 3.49Å; S187-W272 VanDerWaalsContact O-CE2 3.32Å; S187-W272 WeakPolarHBondContact O-CZ2 3.31Å; S187-Y311 WeakPolarHBondContact O-CE2 3.44Å; S187-Y311 PolarHBondContact O-OH 3.34Å
188	L	97.8	Very high	97.2	Very high	23 Å²	23	17.4 Å²	17.4	12%	0.12	9%	0.092	C	C	.	.			trans	-49	128.1	177.7	-179.1	63.2	0	0	0	112.3	A185 N190 W247 F269 W272	A185-L188 WeakPolarHBondContact O-CB 3.45Å; A185-L188 PolarHBondContact O-N 3.23Å; A185-L188 VanDerWaalsContact O-N 3.08Å; L188-N190 PolarHBondContact O-N 2.97Å; L188-W247 HydrophobicContact CB-CZ2 3.9Å; L188-W247 HydrophobicContact CD2-CH2 3.92Å; L188-W247 HydrophobicContact CD2-CZ2 3.52Å; L188-W247 HydrophobicContact CG-CZ2 4.32Å; L188-F269 HydrophobicContact CD1-CD2 4.46Å; L188-F269 HydrophobicContact CD2-CD2 4.42Å; L188-W272 HydrophobicContact CD1-CB 3.36Å; L188-W272 HydrophobicContact CD1-CD2 4.23Å; L188-W272 HydrophobicContact CD1-CG 3.42Å; L188-W272 VanDerWaalsContact CD1-CG 3.42Å
189	F	97.3	Very high	96.8	Very high	18 Å²	18	20.6 Å²	20.6	8%	0.079	11%	0.107	C	C	.	.			trans	-62	128.7	172.5	179.9	-95.6	0	0	0	110.9	Y86 Y130 L132 S187 D191 W272 Y311 K320	Y86-F189 WeakPolarHBondContact OH-CZ 3.4Å; Y130-F189 AromaticContact CD1-CD1 3.87Å; Y130-F189 HydrophobicContact CD1-CD1 3.87Å; Y130-F189 AromaticContact CD1-CE1 3.75Å; Y130-F189 HydrophobicContact CD1-CE1 3.75Å; Y130-F189 HydrophobicContact CD1-CZ 4.44Å; Y130-F189 HydrophobicContact CD2-CD1 4.01Å; Y130-F189 HydrophobicContact CD2-CD2 4.17Å; Y130-F189 HydrophobicContact CD2-CE1 4.08Å; Y130-F189 HydrophobicContact CD2-CE2 4.23Å; Y130-F189 HydrophobicContact CD2-CG 4.03Å; Y130-F189 HydrophobicContact CD2-CZ 4.16Å; Y130-F189 AromaticContact CE1-CD1 3.88Å; Y130-F189 HydrophobicContact CE1-CD1 3.88Å; Y130-F189 HydrophobicContact CE1-CE1 4.24Å; Y130-F189 HydrophobicContact CE2-CB 4.04Å; Y130-F189 AromaticContact CE2-CD1 3.97Å; Y130-F189 HydrophobicContact CE2-CD1 3.97Å; Y130-F189 HydrophobicContact CE2-CD2 4.31Å; Y130-F189 HydrophobicContact CE2-CE1 4.49Å; Y130-F189 AromaticContact CE2-CG 3.84Å; Y130-F189 HydrophobicContact CE2-CG 3.84Å; Y130-F189 AromaticContact CG-CD1 3.96Å; Y130-F189 HydrophobicContact CG-CD1 3.96Å; Y130-F189 AromaticContact CG-CE1 3.69Å; Y130-F189 HydrophobicContact CG-CE1 3.69Å; Y130-F189 HydrophobicContact CG-CE2 4.46Å; Y130-F189 HydrophobicContact CG-CG 4.44Å; Y130-F189 AromaticContact CG-CZ 3.93Å; Y130-F189 HydrophobicContact CG-CZ 3.93Å; Y130-F189 AromaticContact CZ-CD1 3.92Å; L132-F189 HydrophobicContact CD1-CD2 4.3Å; L132-F189 HydrophobicContact CD2-CD2 4.34Å; L132-F189 HydrophobicContact CD2-CE2 4.23Å; S187-F189 PolarHBondContact O-N 3.49Å; F189-D191 HydrophobicContact CE1-CB 3.89Å; F189-D191 HydrophobicContact CE2-CB 4.14Å; F189-D191 HydrophobicContact CZ-CB 3.52Å; F189-W272 HydrophobicContact CB-CE3 3.78Å; F189-W272 HydrophobicContact CB-CH2 4.43Å; F189-W272 HydrophobicContact CB-CZ3 3.74Å; F189-Y311 AromaticContact CD2-CD1 3.91Å; F189-Y311 HydrophobicContact CD2-CD1 3.91Å; F189-Y311 HydrophobicContact CD2-CD2 4.27Å; F189-Y311 HydrophobicContact CD2-CE1 4.42Å; F189-Y311 AromaticContact CD2-CG 3.82Å; F189-Y311 HydrophobicContact CD2-CG 3.82Å; F189-Y311 HydrophobicContact CE2-CD1 4.36Å; F189-Y311 HydrophobicContact CE2-CG 4.33Å; F189-K320 HydrophobicContact CE2-CD 4.42Å
190	N	95.1	Very high	96.1	Very high	51 Å²	51	26.8 Å²	26.8	27%	0.273	15%	0.147	S	C	.	.			trans	-136.1	15	-168.4	67.4	-10.5	0	0	0	114.4	L188 N310 Y311	L188-N190 PolarHBondContact O-N 2.97Å; N190-N310 WeakPolarHBondContact O-CB 3.34Å; N190-N310 PolarHBondContact O-ND2 2.79Å; N190-N310 VanDerWaalsContact OD1-C 3.22Å; N190-N310 WeakPolarHBondContact OD1-CB 3.32Å; N190-N310 PolarHBondContact OD1-O 2.69Å; N190-Y311 WeakPolarHBondContact OD1-CA 3.31Å; N190-Y311 WeakPolarHBondContact OD1-CB 3.43Å; N190-Y311 WeakPolarHBondContact OD1-CD2 3.29Å; N190-Y311 PolarHBondContact OD1-N 3.15Å
191	D	96.1	Very high	95.3	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.027	18%	0.176	C	C	.	.			trans	-68.9	144.4	166.4	-67.3	-24	0	0	0	109.8	Y86 F189 L193 T308 N310 Y311 K320	Y86-D191 VanDerWaalsContact CE2-OD2 3.31Å; Y86-D191 WeakPolarHBondContact CE2-OD2 3.25Å; Y86-D191 PolarHBondContact OH-OD2 3.32Å; F189-D191 HydrophobicContact CE1-CB 3.89Å; F189-D191 HydrophobicContact CE2-CB 4.14Å; F189-D191 HydrophobicContact CZ-CB 3.52Å; D191-L193 HydrophobicContact CB-CD2 4.34Å; D191-T308 VanDerWaalsContact CA-O 3.29Å; D191-T308 WeakPolarHBondContact CA-O 3.01Å; D191-N310 PolarHBondContact OD1-N 3.27Å; D191-Y311 WeakPolarHBondContact OD1-CB 3.37Å; D191-Y311 PolarHBondContact OD1-N 2.85Å; D191-K320 IonicContact OD1-NZ 2.74Å; D191-K320 PolarHBondContact OD1-NZ 3.15Å; D191-K320 VanDerWaalsContact OD1-NZ 3.16Å; D191-K320 VanDerWaalsContact OD2-CD 3.32Å; D191-K320 WeakPolarHBondContact OD2-CD 3.38Å; D191-K320 WeakPolarHBondContact OD2-CE 3.32Å; D191-K320 IonicContact OD2-NZ 3.35Å; D191-K320 PolarHBondContact OD2-NZ 3.4Å
192	T	96.8	Very high	94.5	Very high	58 Å²	58	35 Å²	35	36%	0.356	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119.4	171.6	-52.4	0	0	0	0	109.4	E194 I307 T308	T192-E194 HydrophobicContact CG2-CG 4.37Å; T192-I307 WeakPolarHBondContact O-CA 3.18Å; T192-T308 PolarHBondContact N-O 3.1Å; T192-T308 VanDerWaalsContact N-O 3.09Å; T192-T308 PolarHBondContact O-N 3.2Å
193	L	98	Very high	94.1	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.6	178.1	-47.3	177.7	0	0	0	110.3	Y86 M128 D191 Y285 L305 I307 M322	Y86-L193 HydrophobicContact CE1-CD2 4.29Å; Y86-L193 HydrophobicContact CE2-CD2 4.32Å; M128-L193 HydrophobicContact CE-CB 3.55Å; M128-L193 HydrophobicContact CE-CD1 4.03Å; M128-L193 HydrophobicContact CE-CG 4.44Å; D191-L193 HydrophobicContact CB-CD2 4.34Å; L193-Y285 HydrophobicContact CB-CD1 4.16Å; L193-Y285 HydrophobicContact CB-CE1 3.64Å; L193-Y285 HydrophobicContact CD1-CD1 4.19Å; L193-Y285 HydrophobicContact CD1-CE1 4.37Å; L193-Y285 HydrophobicContact CG-CD1 4.48Å; L193-Y285 HydrophobicContact CG-CE1 4.16Å; L193-Y285 PolarHBondContact N-OH 3.41Å; L193-Y285 WeakPolarHBondContact O-CE1 3.47Å; L193-L305 HydrophobicContact CB-CD1 4.23Å; L193-I307 HydrophobicContact CD2-CB 4.32Å; L193-I307 HydrophobicContact CD2-CG1 3.9Å; L193-I307 HydrophobicContact CD2-CG2 3.87Å; L193-M322 HydrophobicContact CD1-CB 4.39Å; L193-M322 HydrophobicContact CD1-CG 4.14Å
194	E	97.9	Very high	93.8	Very high	40 Å²	40	43.1 Å²	43.1	19%	0.187	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.4	175.2	-58.6	-171.8	108.9	0	0	110.1	T192 Y196 K206 K306	T192-E194 HydrophobicContact CG2-CG 4.37Å; E194-Y196 HydrophobicContact CB-CE2 3.75Å; E194-K206 WeakPolarHBondContact OE1-CE 3.12Å; E194-K206 IonicContact OE1-NZ 3.83Å; E194-K206 PolarHBondContact OE1-NZ 3.06Å; E194-K306 HydrophobicContact CB-CB 4.35Å; E194-K306 PolarHBondContact N-O 3.24Å; E194-K306 PolarHBondContact O-N 2.8Å; E194-K306 IonicContact OE2-NZ 2.81Å
195	L	97.6	Very high	93.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.2	-176.2	-173.5	66.5	0	0	0	110.8	F116 V207 I288 Y303 L324	F116-L195 HydrophobicContact CE1-CD1 3.93Å; F116-L195 HydrophobicContact CZ-CD1 3.72Å; L195-V207 HydrophobicContact CB-CB 4.18Å; L195-V207 HydrophobicContact CB-CG2 4.4Å; L195-V207 HydrophobicContact CD2-CB 4.25Å; L195-V207 HydrophobicContact CD2-CG1 4.3Å; L195-V207 HydrophobicContact CD2-CG2 4.1Å; L195-V207 HydrophobicContact CG-CB 4.23Å; L195-V207 HydrophobicContact CG-CG2 3.96Å; L195-V207 WeakPolarHBondContact O-CB 3.28Å; L195-V207 PolarHBondContact O-N 2.89Å; L195-I288 HydrophobicContact CD2-CD1 4.17Å; L195-Y303 HydrophobicContact CD1-CD1 4.18Å; L195-Y303 HydrophobicContact CD2-CD1 4.42Å; L195-Y303 HydrophobicContact CG-CD1 4.22Å; L195-L324 HydrophobicContact CD2-CD1 4.27Å; L195-L324 HydrophobicContact CD2-CD2 4.5Å
196	Y	97.1	Very high	93.5	Very high	45 Å²	45	51 Å²	51	18%	0.176	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.2	178.3	-64.2	-98.4	0	0	0	110.1	E194 S205 K206 Y303 V304 K306	E194-Y196 HydrophobicContact CB-CE2 3.75Å; Y196-S205 CarbonylContact C-O 3.58Å; Y196-S205 VanDerWaalsContact CA-O 3.29Å; Y196-S205 WeakPolarHBondContact CA-O 3.32Å; Y196-K206 HydrophobicContact CD1-CB 3.94Å; Y196-K206 HydrophobicContact CD1-CG 4.27Å; Y196-K206 HydrophobicContact CE1-CB 3.73Å; Y196-K206 HydrophobicContact CE1-CD 4.23Å; Y196-K206 HydrophobicContact CE1-CG 3.85Å; Y196-Y303 CarbonylContact O-C 3.56Å; Y196-Y303 VanDerWaalsContact O-CA 3.25Å; Y196-Y303 WeakPolarHBondContact O-CA 3.24Å; Y196-Y303 WeakPolarHBondContact O-CD1 3.31Å; Y196-V304 PolarHBondContact N-O 3.2Å; Y196-V304 PolarHBondContact O-N 2.85Å; Y196-K306 HydrophobicContact CD2-CB 4.38Å; Y196-K306 HydrophobicContact CE2-CB 4.03Å; Y196-K306 HydrophobicContact CE2-CD 4.23Å
197	Y	95.4	Very high	93.3	Very high	53 Å²	53	51.7 Å²	51.7	21%	0.208	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.4	170.5	178	-118.6	0	0	0	109.4	Q199 T204 S205 Y303	Y197-Q199 HydrophobicContact CD1-CG 3.81Å; Y197-Q199 HydrophobicContact CE1-CG 3.85Å; Y197-T204 CarbonylContact O-C 3.49Å; Y197-T204 WeakPolarHBondContact O-CA 3.18Å; Y197-S205 PolarHBondContact N-O 3.25Å; Y197-S205 PolarHBondContact O-N 3.41Å; Y197-Y303 HydrophobicContact CD2-CD1 4.07Å; Y197-Y303 HydrophobicContact CD2-CD2 4.19Å; Y197-Y303 AromaticContact CD2-CE1 3.57Å; Y197-Y303 HydrophobicContact CD2-CE1 3.57Å; Y197-Y303 AromaticContact CD2-CE2 3.68Å; Y197-Y303 HydrophobicContact CD2-CE2 3.68Å; Y197-Y303 HydrophobicContact CD2-CG 4.36Å; Y197-Y303 AromaticContact CD2-CZ 3.35Å; Y197-Y303 HydrophobicContact CE2-CE2 4.01Å; Y197-Y303 AromaticContact CE2-CZ 3.94Å; Y197-Y303 HydrophobicContact CG-CE1 4.1Å
198	S	94.4	Very high	93.2	Very high	25 Å²	25	55.4 Å²	55.4	18%	0.175	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	111.1	175.9	-172.2	0	0	0	0	108.6	K302	S198-K302 WeakPolarHBondContact CA-O 3.39Å; S198-K302 VanDerWaalsContact CB-O 3.29Å; S198-K302 WeakPolarHBondContact CB-O 3.24Å; S198-K302 PolarHBondContact N-O 2.95Å
199	Q	88.7	Confident	93.1	Very high	69 Å²	69	56.1 Å²	56.1	32%	0.322	32%	0.319	S	S	.	.			trans	-76.9	157.7	178	-68	174.5	-36.9	0	0	110.9	Y197 D201 G202 N203	Y197-Q199 HydrophobicContact CD1-CG 3.81Å; Y197-Q199 HydrophobicContact CE1-CG 3.85Å; Q199-D201 WeakPolarHBondContact CB-OD1 3.42Å; Q199-D201 PolarHBondContact O-N 2.79Å; Q199-G202 PolarHBondContact O-N 3.09Å; Q199-G202 VanDerWaalsContact O-N 3.12Å; Q199-N203 WeakPolarHBondContact CB-O 3.46Å; Q199-N203 PolarHBondContact N-O 3.03Å
200	P	82.6	Confident	93.1	Very high	132 Å²	132	56.8 Å²	56.8	86%	0.857	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.7	-177.5	-22.1	33.8	0	0	0	114.7	G202	P200-G202 PolarHBondContact O-N 3.32Å
201	D	82.7	Confident	93	Very high	112 Å²	112	58.8 Å²	58.8	60%	0.599	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-2.2	175.9	57	-4.9	0	0	0	113.3	Q199 N203	Q199-D201 WeakPolarHBondContact CB-OD1 3.42Å; Q199-D201 PolarHBondContact O-N 2.79Å; D201-N203 PolarHBondContact OD1-N 3.34Å
202	G	80.3	Confident	93	Very high	60 Å²	60	61.1 Å²	61.1	62%	0.619	35%	0.346	S	S	*	.	S	Bend	trans	90.3	-6.1	179.5	0	0	0	0	0	114.3	Q199 P200	Q199-G202 PolarHBondContact O-N 3.09Å; Q199-G202 VanDerWaalsContact O-N 3.12Å; P200-G202 PolarHBondContact O-N 3.32Å
203	N	89.5	Confident	92.9	Very high	102 Å²	102	61 Å²	61	55%	0.545	36%	0.356	S	S	.	.			trans	-76.5	154	175	-82.5	-24.6	0	0	0	111.7	Q199 D201	Q199-N203 WeakPolarHBondContact CB-O 3.46Å; Q199-N203 PolarHBondContact N-O 3.03Å; D201-N203 PolarHBondContact OD1-N 3.34Å
204	T	91.9	Very high	92.9	Very high	85 Å²	85	61.4 Å²	61.4	52%	0.521	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.3	175	54.4	0	0	0	0	110.5	Y197	Y197-T204 CarbonylContact O-C 3.49Å; Y197-T204 WeakPolarHBondContact O-CA 3.18Å
205	S	93.2	Very high	92.9	Very high	44 Å²	44	60.4 Å²	60.4	31%	0.308	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133	175.6	62.5	0	0	0	0	110.3	Y196 Y197 V207	Y196-S205 CarbonylContact C-O 3.58Å; Y196-S205 VanDerWaalsContact CA-O 3.29Å; Y196-S205 WeakPolarHBondContact CA-O 3.32Å; Y197-S205 PolarHBondContact N-O 3.25Å; Y197-S205 PolarHBondContact O-N 3.41Å; S205-V207 PolarHBondContact O-N 3.23Å
206	K	95.6	Very high	92.8	Very high	122 Å²	122	68.4 Å²	68.4	53%	0.53	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126.6	179.6	-170	174	-172	168.6	0	109.8	E194 Y196	E194-K206 WeakPolarHBondContact OE1-CE 3.12Å; E194-K206 IonicContact OE1-NZ 3.83Å; E194-K206 PolarHBondContact OE1-NZ 3.06Å; Y196-K206 HydrophobicContact CD1-CB 3.94Å; Y196-K206 HydrophobicContact CD1-CG 4.27Å; Y196-K206 HydrophobicContact CE1-CB 3.73Å; Y196-K206 HydrophobicContact CE1-CD 4.23Å; Y196-K206 HydrophobicContact CE1-CG 3.85Å
207	V	95.3	Very high	92.8	Very high	19 Å²	19	74.1 Å²	74.1	12%	0.115	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-75	127.5	172.8	-178.1	0	0	0	0	108.5	L195 S205 L209 I288 L298 Y303	L195-V207 HydrophobicContact CB-CB 4.18Å; L195-V207 HydrophobicContact CB-CG2 4.4Å; L195-V207 HydrophobicContact CD2-CB 4.25Å; L195-V207 HydrophobicContact CD2-CG1 4.3Å; L195-V207 HydrophobicContact CD2-CG2 4.1Å; L195-V207 HydrophobicContact CG-CB 4.23Å; L195-V207 HydrophobicContact CG-CG2 3.96Å; L195-V207 WeakPolarHBondContact O-CB 3.28Å; L195-V207 PolarHBondContact O-N 2.89Å; S205-V207 PolarHBondContact O-N 3.23Å; V207-L209 HydrophobicContact CG1-CD2 4.18Å; V207-L209 PolarHBondContact O-N 3.03Å; V207-I288 HydrophobicContact CG1-CD1 4.09Å; V207-I288 HydrophobicContact CG1-CG1 4.32Å; V207-I288 HydrophobicContact CG1-CG2 3.99Å; V207-L298 HydrophobicContact CG1-CD2 4.08Å; V207-L298 HydrophobicContact CG2-CD2 4.48Å; V207-Y303 HydrophobicContact CG2-CD1 4.5Å; V207-Y303 HydrophobicContact CG2-CE1 4.24Å
208	T	95.1	Very high	92.9	Very high	99 Å²	99	75.5 Å²	75.5	61%	0.607	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-70.6	118.8	177.1	-50.3	0	0	0	0	109.8
209	L	95.7	Very high	93.1	Very high	37 Å²	37	74.9 Å²	74.9	19%	0.194	42%	0.418	C	S	.	.			trans	-109.6	117.5	179.1	-57.7	-176.2	0	0	0	109.4	M128 V207 R286 I288	M128-L209 HydrophobicContact SD-CD1 3.94Å; M128-L209 HydrophobicContact SD-CD2 4.25Å; V207-L209 HydrophobicContact CG1-CD2 4.18Å; V207-L209 PolarHBondContact O-N 3.03Å; L209-R286 HydrophobicContact CB-CB 3.87Å; L209-R286 HydrophobicContact CB-CG 3.86Å; L209-R286 HydrophobicContact CD1-CG 4.18Å; L209-R286 HydrophobicContact CD2-CB 4.46Å; L209-I288 HydrophobicContact CD2-CD1 3.87Å; L209-I288 HydrophobicContact CD2-CG1 3.58Å
210	V	95.8	Very high	93.4	Very high	33 Å²	33	73.2 Å²	73.2	20%	0.2	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-81.2	129.4	176.3	-175.7	0	0	0	0	109.3	R286 I287 Q289	V210-R286 WeakPolarHBondContact O-CA 3.31Å; V210-R286 WeakPolarHBondContact O-CD 3.5Å; V210-I287 HydrophobicContact CB-CB 4.47Å; V210-I287 WeakPolarHBondContact CB-O 3.4Å; V210-I287 PolarHBondContact N-O 3.34Å; V210-I287 PolarHBondContact O-N 3.34Å; V210-I287 VanDerWaalsContact O-N 3.1Å; V210-Q289 HydrophobicContact CG2-CG 4.08Å
211	K	93.9	Very high	94	Very high	93 Å²	93	71.2 Å²	71.2	40%	0.404	39%	0.389	S	S	.	.			trans	-89.7	-25.9	-179	-58	-173.5	-177.7	174.5	0	113.9	I214	K211-I214 WeakPolarHBondContact O-CD1 3.47Å; K211-I214 WeakPolarHBondContact O-CG1 3.42Å
212	T	94.8	Very high	94.7	Very high	53 Å²	53	70 Å²	70	33%	0.325	39%	0.385	S	S	.	.	S	Bend	trans	-97.1	160.4	-175.6	53.7	0	0	0	0	111.8	I214 N261 E267	T212-I214 VanDerWaalsContact C-N 3.32Å; T212-N261 HydrophobicContact CG2-CB 4.42Å; T212-E267 WeakPolarHBondContact CA-OE1 3.48Å
213	G	95.6	Very high	95.5	Very high	56 Å²	56	71.1 Å²	71.1	58%	0.577	37%	0.373	S	S	*	.	S	Bend	trans	74.1	19.8	-176.1	0	0	0	0	0	114.3	E267 I287	G213-E267 WeakPolarHBondContact CA-OE2 3.25Å; G213-E267 VanDerWaalsContact N-CD 3.3Å; G213-E267 PolarHBondContact N-OE1 3.41Å; G213-E267 PolarHBondContact N-OE2 3.46Å; G213-I287 WeakPolarHBondContact O-CD1 3.37Å
214	I	97.3	Very high	95.9	Very high	11 Å²	11	66.5 Å²	66.5	6%	0.056	35%	0.348	C	S	.	.			trans	-94.1	-23.5	175.7	64.5	174.1	0	0	0	112.5	K211 T212 E267 D268 V271 L284 Y285 I287	K211-I214 WeakPolarHBondContact O-CD1 3.47Å; K211-I214 WeakPolarHBondContact O-CG1 3.42Å; T212-I214 VanDerWaalsContact C-N 3.32Å; I214-E267 HydrophobicContact CD1-CB 4.03Å; I214-E267 HydrophobicContact CG1-CB 3.6Å; I214-E267 WeakPolarHBondContact CG1-OE2 3.38Å; I214-E267 PolarHBondContact N-OE2 3.33Å; I214-D268 WeakPolarHBondContact CD1-OD1 3.3Å; I214-V271 HydrophobicContact CB-CG2 4.49Å; I214-V271 HydrophobicContact CD1-CG2 4.19Å; I214-V271 HydrophobicContact CG1-CG2 4.04Å; I214-L284 HydrophobicContact CB-CD2 3.72Å; I214-L284 HydrophobicContact CB-CG 3.92Å; I214-L284 HydrophobicContact CG2-CD2 3.87Å; I214-L284 HydrophobicContact CG2-CG 3.92Å; I214-Y285 WeakPolarHBondContact CD1-O 3.33Å; I214-I287 HydrophobicContact CG2-CD1 4.05Å; I214-I287 HydrophobicContact CG2-CG1 3.99Å
215	A	97.4	Very high	96.1	Very high	18 Å²	18	68.7 Å²	68.7	15%	0.149	35%	0.347	C	S	.	.	S	Bend	trans	-90.7	157.9	175.4	0	0	0	0	0	112.1	E267 I270 V271	A215-E267 HydrophobicContact CB-CB 4.03Å; A215-E267 HydrophobicContact CB-CG 3.88Å; A215-E267 PolarHBondContact N-OE2 3.45Å; A215-I270 HydrophobicContact CB-CB 4.26Å; A215-I270 HydrophobicContact CB-CG2 3.83Å; A215-V271 HydrophobicContact CB-CG2 4.41Å
216	W	97.3	Very high	96.2	Very high	168 Å²	168	67.7 Å²	67.7	64%	0.636	34%	0.338	S	S	*	.			trans	-71.5	143.2	173.8	-72.9	75	0	0	0	110.7	T218 D219 K220 R274	W216-T218 VanDerWaalsContact C-N 3.29Å; W216-T218 PolarHBondContact O-N 2.97Å; W216-D219 HydrophobicContact CB-CB 4.41Å; W216-D219 PolarHBondContact O-N 3.02Å; W216-K220 PolarHBondContact O-N 2.74Å; W216-R274 VanDerWaalsContact CG-NH2 3.31Å
217	Y	97.2	Very high	96	Very high	166 Å²	166	61.9 Å²	61.9	65%	0.651	31%	0.313	S	S	*	.	H	α-helix	trans	-51.9	-46.9	179.6	-178.7	-90.1	0	0	0	112.6	D219 K220 H221	Y217-D219 VanDerWaalsContact C-N 3.33Å; Y217-D219 PolarHBondContact O-N 2.8Å; Y217-K220 PolarHBondContact O-N 2.04Å; Y217-H221 AromaticContact CD2-CD2 3.22Å; Y217-H221 WeakPolarHBondContact CD2-CD2 3.43Å; Y217-H221 AromaticContact CD2-NE2 3.68Å; Y217-H221 HydrophobicContact CE1-CB 4.26Å; Y217-H221 AromaticContact CE2-CD2 3.21Å; Y217-H221 WeakPolarHBondContact CE2-CD2 3.37Å; Y217-H221 AromaticContact CE2-CG 3.91Å; Y217-H221 AromaticContact CE2-NE2 3.62Å; Y217-H221 AromaticContact CG-CD2 3.74Å; Y217-H221 AromaticContact CZ-CD2 3.74Å; Y217-H221 WeakPolarHBondContact O-CB 3.46Å; Y217-H221 PolarHBondContact O-CD2 2.9Å; Y217-H221 VanDerWaalsContact O-CD2 3.24Å; Y217-H221 PolarHBondContact O-N 3.07Å
218	T	97.6	Very high	95.6	Very high	82 Å²	82	63.2 Å²	63.2	50%	0.503	33%	0.33	S	S	.	.	H	α-helix	trans	-65.7	-35.2	179.4	49.5	0	0	0	0	112.9	W216 V222 K223	W216-T218 VanDerWaalsContact C-N 3.29Å; W216-T218 PolarHBondContact O-N 2.97Å; T218-V222 WeakPolarHBondContact O-CA 3.42Å; T218-V222 VanDerWaalsContact O-CB 3.31Å; T218-V222 WeakPolarHBondContact O-CB 3.44Å; T218-V222 PolarHBondContact O-N 3.02Å; T218-V222 VanDerWaalsContact O-N 3.09Å; T218-K223 PolarHBondContact O-N 3.34Å
219	D	97.5	Very high	94.8	Very high	12 Å²	12	64.1 Å²	64.1	6%	0.064	33%	0.332	C	S	.	.	I	π-helix	trans	-66.6	-46.9	175.5	-80.3	-0.8	0	0	0	110.1	W216 Y217 K223 F224 I270 R274	W216-D219 HydrophobicContact CB-CB 4.41Å; W216-D219 PolarHBondContact O-N 3.02Å; Y217-D219 VanDerWaalsContact C-N 3.33Å; Y217-D219 PolarHBondContact O-N 2.8Å; D219-K223 WeakPolarHBondContact OD1-CD 3.47Å; D219-F224 HydrophobicContact CB-CD2 4.33Å; D219-F224 HydrophobicContact CB-CE2 4.47Å; D219-F224 WeakPolarHBondContact O-CD2 3.13Å; D219-F224 PolarHBondContact O-N 2.89Å; D219-I270 HydrophobicContact CB-CG2 3.57Å; D219-R274 VanDerWaalsContact CG-NH2 3.29Å; D219-R274 IonicContact OD1-NH2 3.62Å; D219-R274 IonicContact OD2-CZ 3.54Å; D219-R274 VanDerWaalsContact OD2-CZ 3.31Å; D219-R274 IonicContact OD2-NE 3.3Å; D219-R274 PolarHBondContact OD2-NE 3.25Å; D219-R274 IonicContact OD2-NH2 3.74Å; D219-R274 PolarHBondContact OD2-NH2 3.16Å
220	K	95.7	Very high	93.6	Very high	34 Å²	34	69.6 Å²	69.6	15%	0.148	36%	0.361	C	S	.	.	I	π-helix	trans	-70	-41.2	-177	-169.6	175.4	-173.1	176.3	0	114	W216 Y217 E260 E267 I270	W216-K220 PolarHBondContact O-N 2.74Å; Y217-K220 PolarHBondContact O-N 2.04Å; K220-E260 WeakPolarHBondContact CE-O 3.46Å; K220-E260 PolarHBondContact NZ-O 2.96Å; K220-E267 HydrophobicContact CD-CG 3.96Å; K220-E267 IonicContact NZ-OE1 2.74Å; K220-E267 PolarHBondContact NZ-OE1 2.98Å; K220-I270 HydrophobicContact CB-CD1 4.27Å; K220-I270 HydrophobicContact CG-CD1 4.41Å
221	H	95.3	Very high	92.4	Very high	89 Å²	89	77.4 Å²	77.4	41%	0.412	39%	0.392	S	S	.	.	I	π-helix	trans	-103.8	-16.8	-169	-62.2	-72.3	0	0	0	114.6	Y217 R225	Y217-H221 AromaticContact CD2-CD2 3.22Å; Y217-H221 WeakPolarHBondContact CD2-CD2 3.43Å; Y217-H221 AromaticContact CD2-NE2 3.68Å; Y217-H221 HydrophobicContact CE1-CB 4.26Å; Y217-H221 AromaticContact CE2-CD2 3.21Å; Y217-H221 WeakPolarHBondContact CE2-CD2 3.37Å; Y217-H221 AromaticContact CE2-CG 3.91Å; Y217-H221 AromaticContact CE2-NE2 3.62Å; Y217-H221 AromaticContact CG-CD2 3.74Å; Y217-H221 AromaticContact CZ-CD2 3.74Å; Y217-H221 WeakPolarHBondContact O-CB 3.46Å; Y217-H221 PolarHBondContact O-CD2 2.9Å; Y217-H221 VanDerWaalsContact O-CD2 3.24Å; Y217-H221 PolarHBondContact O-N 3.07Å; H221-R225 PolarHBondContact O-NH2 2.86Å
222	V	95.9	Very high	91.3	Very high	86 Å²	86	77.2 Å²	77.2	52%	0.521	40%	0.396	S	S	.	.	I	π-helix	trans	-118.3	-51.7	-176.6	-174.5	0	0	0	0	111.6	T218	T218-V222 WeakPolarHBondContact O-CA 3.42Å; T218-V222 VanDerWaalsContact O-CB 3.31Å; T218-V222 WeakPolarHBondContact O-CB 3.44Å; T218-V222 PolarHBondContact O-N 3.02Å; T218-V222 VanDerWaalsContact O-N 3.09Å
223	K	97.5	Very high	91	Very high	84 Å²	84	79.6 Å²	79.6	37%	0.365	41%	0.407	S	S	.	.	I	π-helix	trans	-82	-41.4	-167.8	-173.7	179.1	173.4	-176.3	0	114.3	T218 D219	T218-K223 PolarHBondContact O-N 3.34Å; D219-K223 WeakPolarHBondContact OD1-CD 3.47Å
224	F	97.8	Very high	90.7	Very high	5 Å²	5	78 Å²	78	2%	0.022	38%	0.384	C	S	.	.			trans	-105.5	134.5	179.1	-69.7	-96.8	0	0	0	109.7	L151 D219 I265 F269 I270 M273	L151-F224 HydrophobicContact CB-CD1 3.98Å; L151-F224 HydrophobicContact CB-CE1 4.01Å; L151-F224 HydrophobicContact CD1-CE1 3.97Å; L151-F224 HydrophobicContact CD2-CD1 4.4Å; L151-F224 HydrophobicContact CD2-CE1 4.12Å; L151-F224 HydrophobicContact CG-CE1 4.25Å; L151-F224 WeakPolarHBondContact O-CA 3.23Å; D219-F224 HydrophobicContact CB-CD2 4.33Å; D219-F224 HydrophobicContact CB-CE2 4.47Å; D219-F224 WeakPolarHBondContact O-CD2 3.13Å; D219-F224 PolarHBondContact O-N 2.89Å; F224-I265 WeakPolarHBondContact O-CG2 3.34Å; F224-F269 HydrophobicContact CD1-CE1 4.21Å; F224-F269 HydrophobicContact CE1-CE1 4.05Å; F224-I270 HydrophobicContact CB-CD1 4.12Å; F224-I270 HydrophobicContact CB-CG1 4.21Å; F224-I270 HydrophobicContact CD1-CG1 4.26Å; F224-I270 HydrophobicContact CD2-CD1 4.32Å; F224-I270 HydrophobicContact CD2-CG1 3.91Å; F224-I270 HydrophobicContact CD2-CG2 4.24Å; F224-I270 HydrophobicContact CE2-CG1 4.32Å; F224-I270 HydrophobicContact CE2-CG2 4.15Å; F224-I270 HydrophobicContact CG-CD1 4.28Å; F224-I270 HydrophobicContact CG-CG1 3.88Å; F224-M273 HydrophobicContact CE1-CB 4.11Å; F224-M273 HydrophobicContact CE1-CG 4.17Å; F224-M273 HydrophobicContact CZ-CB 3.74Å; F224-M273 HydrophobicContact CZ-CG 4.31Å
225	R	96.1	Very high	90.4	Very high	131 Å²	131	80.7 Å²	80.7	49%	0.494	40%	0.402	S	S	.	.			trans	-149.2	144.7	179.9	-65.7	-173.6	172.3	-170.5	-5.2	111	L151 G153 H221 F264	L151-R225 PolarHBondContact O-N 3.37Å; G153-R225 WeakPolarHBondContact CA-O 3.38Å; G153-R225 PolarHBondContact N-O 2.79Å; H221-R225 PolarHBondContact O-NH2 2.86Å; R225-F264 WeakPolarHBondContact O-CD2 3.33Å
226	N	95.3	Very high	90.1	Very high	23 Å²	23	86 Å²	86	12%	0.123	42%	0.424	C	S	.	.			trans	-73.5	145	170.8	-72.1	-33.2	0	0	0	110.4	L234 R237 N262 G263 F264	N226-L234 HydrophobicContact CB-CD2 4.02Å; N226-R237 PolarHBondContact O-NH2 2.81Å; N226-N262 PolarHBondContact ND2-O 2.91Å; N226-G263 WeakPolarHBondContact OD1-CA 3.05Å; N226-F264 PolarHBondContact OD1-N 2.88Å
227	P	93	Very high	89.8	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	40%	0.397	C	S	.	.	S	Bend	trans	-77.9	136.6	-175.6	29.6	-34.4	0	0	0	112.8	G153 L158 R237 F238	G153-P227 VanDerWaalsContact O-CA 3.27Å; G153-P227 WeakPolarHBondContact O-CA 3.26Å; G153-P227 WeakPolarHBondContact O-CB 3.13Å; L158-P227 HydrophobicContact CD1-CG 4.46Å; L158-P227 HydrophobicContact CD2-CB 4.13Å; L158-P227 HydrophobicContact CD2-CG 3.89Å; P227-R237 PolarHBondContact O-NE 2.82Å; P227-R237 PolarHBondContact O-NH2 2.87Å; P227-F238 VanDerWaalsContact CD-CZ 3.5Å; P227-F238 HydrophobicContact CG-CD1 4.4Å; P227-F238 HydrophobicContact CG-CE1 3.93Å; P227-F238 HydrophobicContact CG-CE2 4.32Å; P227-F238 HydrophobicContact CG-CZ 3.89Å
228	G	86.4	Confident	89.6	Confident	47 Å²	47	71.3 Å²	71.3	49%	0.485	37%	0.367	S	S	.	.	S	Bend	trans	89.8	-168.4	179.9	0	0	0	0	0	114.8	R237	G228-R237 PolarHBondContact O-NH2 3.03Å
229	N	77.3	Confident	89.3	Confident	119 Å²	119	76 Å²	76	64%	0.636	38%	0.38	S	S	*	.			trans	-93.7	156.3	-175.7	-65.2	-33.7	0	0	0	112	K231 D232 R237	N229-K231 PolarHBondContact O-N 2.79Å; N229-D232 PolarHBondContact O-N 3.07Å; N229-R237 PolarHBondContact O-NH1 2.9Å
230	D	72	Confident	89.1	Confident	151 Å²	151	77.4 Å²	77.4	81%	0.807	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	1.8	-177.4	-59.9	-34	0	0	0	114.9	R237	D230-R237 IonicContact OD1-NH1 3.28Å; D230-R237 PolarHBondContact OD1-NH1 2.63Å
231	K	68.7	Low	89.1	Confident	198 Å²	198	76.7 Å²	76.7	86%	0.861	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-24.4	178.5	-62.9	-174.7	-179.1	-179	0	113.1	N229	N229-K231 PolarHBondContact O-N 2.79Å
232	D	72.1	Confident	89.1	Confident	88 Å²	88	73 Å²	73	47%	0.471	38%	0.381	S	S	.	.	S	Bend	trans	-95.5	146.7	-175.1	-56.4	-31.2	0	0	0	110.7	N229 R237	N229-D232 PolarHBondContact O-N 3.07Å; D232-R237 HydrophobicContact CB-CG 3.89Å; D232-R237 WeakPolarHBondContact O-CD 2.95Å
233	N	88.3	Confident	89.1	Confident	104 Å²	104	72.7 Å²	72.7	56%	0.556	37%	0.373	S	S	*	.			trans	-64.2	141.3	176.1	-171.1	-1.6	0	0	0	110.1	T235 E236 R237	N233-T235 PolarHBondContact O-N 2.87Å; N233-T235 VanDerWaalsContact O-N 3.16Å; N233-E236 HydrophobicContact CB-CG 4.44Å; N233-E236 WeakPolarHBondContact O-CB 3.41Å; N233-E236 PolarHBondContact O-N 2.82Å; N233-R237 WeakPolarHBondContact O-CG 3.47Å; N233-R237 PolarHBondContact O-N 2.87Å
234	L	89.4	Confident	89.1	Confident	21 Å²	21	68.8 Å²	68.8	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-54.4	-38.2	-179.9	-74	172.2	0	0	0	112.2	N226 E236 R237 F238 N262	N226-L234 HydrophobicContact CB-CD2 4.02Å; L234-E236 VanDerWaalsContact C-N 3.27Å; L234-E236 PolarHBondContact O-N 2.68Å; L234-R237 WeakPolarHBondContact O-CB 3.39Å; L234-R237 PolarHBondContact O-N 3.31Å; L234-R237 VanDerWaalsContact O-N 3.15Å; L234-F238 HydrophobicContact CD2-CE2 4.37Å; L234-F238 VanDerWaalsContact O-CD2 3.28Å; L234-F238 WeakPolarHBondContact O-CD2 3.17Å; L234-F238 PolarHBondContact O-N 3.04Å; L234-N262 HydrophobicContact CD1-CB 3.97Å
235	T	90.9	Very high	88.9	Confident	69 Å²	69	71.8 Å²	71.8	42%	0.423	38%	0.375	S	S	.	.	H	α-helix	trans	-59.2	-37.7	176.6	-51.8	0	0	0	0	112.6	N233 K239 Y252	N233-T235 PolarHBondContact O-N 2.87Å; N233-T235 VanDerWaalsContact O-N 3.16Å; T235-K239 PolarHBondContact O-N 3.03Å; T235-Y252 HydrophobicContact CG2-CE2 4.05Å
236	E	90.4	Very high	88.7	Confident	130 Å²	130	68.6 Å²	68.6	61%	0.607	37%	0.368	S	S	*	.	H	α-helix	trans	-73.6	-38.4	176.6	-64.5	-173	139.1	0	0	111.4	N233 L234 F238 K239	N233-E236 HydrophobicContact CB-CG 4.44Å; N233-E236 WeakPolarHBondContact O-CB 3.41Å; N233-E236 PolarHBondContact O-N 2.82Å; L234-E236 VanDerWaalsContact C-N 3.27Å; L234-E236 PolarHBondContact O-N 2.68Å; E236-F238 PolarHBondContact O-N 3.46Å; E236-K239 WeakPolarHBondContact O-CB 3.48Å; E236-K239 PolarHBondContact O-N 3.06Å; E236-K239 VanDerWaalsContact O-N 3.07Å
237	R	91.1	Very high	88.7	Confident	23 Å²	23	68.4 Å²	68.4	9%	0.087	37%	0.365	C	S	.	.	H	α-helix	trans	-60.5	-32.1	177.4	-65.1	170.6	62.1	160.8	13.4	112.3	L158 N226 P227 G228 N229 D230 D232 N233 L234	L158-R237 WeakPolarHBondContact CD2-O 3.43Å; N226-R237 PolarHBondContact O-NH2 2.81Å; P227-R237 PolarHBondContact O-NE 2.82Å; P227-R237 PolarHBondContact O-NH2 2.87Å; G228-R237 PolarHBondContact O-NH2 3.03Å; N229-R237 PolarHBondContact O-NH1 2.9Å; D230-R237 IonicContact OD1-NH1 3.28Å; D230-R237 PolarHBondContact OD1-NH1 2.63Å; D232-R237 HydrophobicContact CB-CG 3.89Å; D232-R237 WeakPolarHBondContact O-CD 2.95Å; N233-R237 WeakPolarHBondContact O-CG 3.47Å; N233-R237 PolarHBondContact O-N 2.87Å; L234-R237 WeakPolarHBondContact O-CB 3.39Å; L234-R237 PolarHBondContact O-N 3.31Å; L234-R237 VanDerWaalsContact O-N 3.15Å
238	F	93.4	Very high	88.5	Confident	2 Å²	2	75 Å²	75	1%	0.009	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	9.9	177.2	-74.5	-76.9	0	0	0	114.5	L158 A179 P227 L234 E236 G240 T241 V251 Y252 F264	L158-F238 HydrophobicContact CD1-CD1 4.01Å; L158-F238 HydrophobicContact CD1-CE1 3.98Å; L158-F238 HydrophobicContact CD2-CD1 4.48Å; A179-F238 HydrophobicContact CB-CD1 4.08Å; A179-F238 HydrophobicContact CB-CE1 4.28Å; P227-F238 VanDerWaalsContact CD-CZ 3.5Å; P227-F238 HydrophobicContact CG-CD1 4.4Å; P227-F238 HydrophobicContact CG-CE1 3.93Å; P227-F238 HydrophobicContact CG-CE2 4.32Å; P227-F238 HydrophobicContact CG-CZ 3.89Å; L234-F238 HydrophobicContact CD2-CE2 4.37Å; L234-F238 VanDerWaalsContact O-CD2 3.28Å; L234-F238 WeakPolarHBondContact O-CD2 3.17Å; L234-F238 PolarHBondContact O-N 3.04Å; E236-F238 PolarHBondContact O-N 3.46Å; F238-G240 PolarHBondContact O-N 2.88Å; F238-T241 WeakPolarHBondContact O-CB 3.27Å; F238-T241 PolarHBondContact O-N 3.44Å; F238-T241 VanDerWaalsContact O-N 3.17Å; F238-T241 PolarHBondContact O-OG1 2.73Å; F238-V251 HydrophobicContact CD1-CG1 4.08Å; F238-V251 HydrophobicContact CD2-CG1 4.38Å; F238-V251 HydrophobicContact CE1-CG1 3.77Å; F238-V251 HydrophobicContact CE2-CG1 4.1Å; F238-V251 HydrophobicContact CG-CG1 4.39Å; F238-V251 HydrophobicContact CZ-CG1 3.78Å; F238-Y252 HydrophobicContact CB-CD1 3.49Å; F238-Y252 VanDerWaalsContact CB-CD1 3.49Å; F238-Y252 HydrophobicContact CB-CE1 3.69Å; F238-Y252 AromaticContact CD2-CD1 3.68Å; F238-Y252 HydrophobicContact CD2-CD1 3.68Å; F238-Y252 HydrophobicContact CD2-CG 4.21Å; F238-Y252 AromaticContact CG-CD1 3.72Å; F238-Y252 HydrophobicContact CG-CD1 3.72Å; F238-Y252 HydrophobicContact CG-CE1 4.36Å; F238-F264 HydrophobicContact CE1-CD2 4.32Å; F238-F264 AromaticContact CE1-CE1 4Å; F238-F264 HydrophobicContact CE1-CE1 4Å; F238-F264 AromaticContact CE1-CE2 3.68Å; F238-F264 HydrophobicContact CE1-CE2 3.68Å; F238-F264 AromaticContact CE1-CZ 3.5Å; F238-F264 HydrophobicContact CE1-CZ 3.5Å; F238-F264 HydrophobicContact CZ-CD1 4.43Å; F238-F264 HydrophobicContact CZ-CD2 4.09Å; F238-F264 HydrophobicContact CZ-CE1 4.24Å; F238-F264 AromaticContact CZ-CE2 3.91Å; F238-F264 HydrophobicContact CZ-CE2 3.91Å; F238-F264 HydrophobicContact CZ-CG 4.34Å; F238-F264 HydrophobicContact CZ-CZ 4.01Å
239	K	92.1	Very high	88.8	Confident	179 Å²	179	78.7 Å²	78.7	78%	0.778	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	135.7	-179.1	-172.9	177.8	-178.4	178.3	0	111.7	T235 E236 T241	T235-K239 PolarHBondContact O-N 3.03Å; E236-K239 WeakPolarHBondContact O-CB 3.48Å; E236-K239 PolarHBondContact O-N 3.06Å; E236-K239 VanDerWaalsContact O-N 3.07Å; K239-T241 VanDerWaalsContact C-N 3.32Å
240	G	92.1	Very high	89.7	Confident	43 Å²	43	73.8 Å²	73.8	44%	0.443	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	4	-179	0	0	0	0	0	114.5	F238	F238-G240 PolarHBondContact O-N 2.88Å
241	T	95.4	Very high	90.9	Very high	19 Å²	19	66.6 Å²	66.6	12%	0.117	34%	0.339	C	S	.	.			trans	-103.8	157.5	169.5	68.9	0	0	0	0	111.5	L158 P177 A179 F238 K239	L158-T241 HydrophobicContact CD1-CG2 3.94Å; L158-T241 HydrophobicContact CD2-CG2 4.15Å; L158-T241 HydrophobicContact CG-CG2 3.64Å; P177-T241 CarbonylContact O-C 3.57Å; P177-T241 WeakPolarHBondContact O-CA 3.24Å; A179-T241 HydrophobicContact CB-CG2 3.81Å; F238-T241 WeakPolarHBondContact O-CB 3.27Å; F238-T241 PolarHBondContact O-N 3.44Å; F238-T241 VanDerWaalsContact O-N 3.17Å; F238-T241 PolarHBondContact O-OG1 2.73Å; K239-T241 VanDerWaalsContact C-N 3.32Å
242	A	96.4	Very high	92.1	Very high	11 Å²	11	59.6 Å²	59.6	9%	0.091	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-108.6	152.1	172.4	0	0	0	0	0	111.2	N171 Q176 P177 I178 A179	N171-A242 HydrophobicContact CB-CB 3.9Å; Q176-A242 HydrophobicContact CB-CB 4.02Å; P177-A242 PolarHBondContact O-N 2.64Å; I178-A242 WeakPolarHBondContact CA-O 3.36Å; A179-A242 PolarHBondContact N-O 3.19Å
243	K	95.9	Very high	93.2	Very high	80 Å²	80	59.2 Å²	59.2	35%	0.348	30%	0.302	S	S	.	.			trans	-66.1	155.3	169.2	67.1	179.4	178	68.4	0	111.2	W247 P250	K243-W247 WeakPolarHBondContact CD-O 3.2Å; K243-W247 WeakPolarHBondContact CE-O 3.19Å; K243-W247 PolarHBondContact NZ-O 3.17Å; K243-P250 HydrophobicContact CB-CB 4.15Å
244	P	96.7	Very high	93.5	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.006	29%	0.29	C	S	.	.			trans	-56.9	152.1	169.5	-23.8	34.7	0	0	0	112	I178 P180 N186 N246 W247	I178-P244 HydrophobicContact CG2-CB 4.14Å; I178-P244 HydrophobicContact CG2-CG 3.89Å; P180-P244 HydrophobicContact CG-CG 4.18Å; P180-P244 WeakPolarHBondContact O-CG 3.3Å; N186-P244 HydrophobicContact CB-CB 4.28Å; P244-N246 VanDerWaalsContact C-N 3.32Å; P244-N246 PolarHBondContact O-N 3.04Å; P244-W247 HydrophobicContact CB-CB 4.28Å; P244-W247 HydrophobicContact CB-CD2 4.04Å; P244-W247 HydrophobicContact CB-CG 3.73Å; P244-W247 HydrophobicContact CG-CD2 3.58Å; P244-W247 HydrophobicContact CG-CE3 4.01Å; P244-W247 HydrophobicContact CG-CG 3.83Å; P244-W247 HydrophobicContact CG-CZ2 4.17Å; P244-W247 HydrophobicContact CG-CZ3 4.47Å; P244-W247 PolarHBondContact O-N 2.82Å; P244-W247 VanDerWaalsContact O-N 3.12Å
245	V	93.8	Very high	93.7	Very high	69 Å²	69	56.3 Å²	56.3	42%	0.418	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-44.8	-171.1	-179.9	0	0	0	0	111.3	I178 N186 W247	I178-V245 HydrophobicContact CD1-CG2 4.33Å; N186-V245 PolarHBondContact OD1-N 2.81Å; V245-W247 VanDerWaalsContact C-N 3.3Å; V245-W247 PolarHBondContact O-N 2.66Å
246	N	92.5	Very high	93.7	Very high	64 Å²	64	58 Å²	58	34%	0.342	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	2.6	-176.3	-66.7	-5.4	0	0	0	113.6	W104 N186 P244	W104-N246 HydrophobicContact CZ3-CB 4.02Å; N186-N246 PolarHBondContact ND2-ND2 3.38Å; N186-N246 WeakPolarHBondContact O-CB 2.86Å; N186-N246 PolarHBondContact OD1-N 3.37Å; P244-N246 VanDerWaalsContact C-N 3.32Å; P244-N246 PolarHBondContact O-N 3.04Å
247	W	94.3	Very high	93.7	Very high	18 Å²	18	56.9 Å²	56.9	7%	0.068	31%	0.305	C	S	.	.			trans	-88.9	137	179.6	-72.9	24.9	0	0	0	110.2	P180 A185 L188 K243 P244 V245 K249 V251 L254 F269	P180-W247 HydrophobicContact CG-CH2 3.64Å; P180-W247 HydrophobicContact CG-CZ2 3.97Å; P180-W247 HydrophobicContact CG-CZ3 4.29Å; A185-W247 HydrophobicContact CB-CZ2 4.43Å; A185-W247 WeakPolarHBondContact O-CZ2 3.44Å; A185-W247 PolarHBondContact O-NE1 3.33Å; L188-W247 HydrophobicContact CB-CZ2 3.9Å; L188-W247 HydrophobicContact CD2-CH2 3.92Å; L188-W247 HydrophobicContact CD2-CZ2 3.52Å; L188-W247 HydrophobicContact CG-CZ2 4.32Å; K243-W247 WeakPolarHBondContact CD-O 3.2Å; K243-W247 WeakPolarHBondContact CE-O 3.19Å; K243-W247 PolarHBondContact NZ-O 3.17Å; P244-W247 HydrophobicContact CB-CB 4.28Å; P244-W247 HydrophobicContact CB-CD2 4.04Å; P244-W247 HydrophobicContact CB-CG 3.73Å; P244-W247 HydrophobicContact CG-CD2 3.58Å; P244-W247 HydrophobicContact CG-CE3 4.01Å; P244-W247 HydrophobicContact CG-CG 3.83Å; P244-W247 HydrophobicContact CG-CZ2 4.17Å; P244-W247 HydrophobicContact CG-CZ3 4.47Å; P244-W247 PolarHBondContact O-N 2.82Å; P244-W247 VanDerWaalsContact O-N 3.12Å; V245-W247 VanDerWaalsContact C-N 3.3Å; V245-W247 PolarHBondContact O-N 2.66Å; W247-K249 WeakPolarHBondContact CB-O 3.44Å; W247-V251 HydrophobicContact CH2-CB 4.43Å; W247-V251 HydrophobicContact CH2-CG2 4.19Å; W247-V251 HydrophobicContact CZ3-CB 3.75Å; W247-V251 HydrophobicContact CZ3-CG2 3.94Å; W247-L254 HydrophobicContact CH2-CD1 4.24Å; W247-L254 HydrophobicContact CZ3-CD1 4.12Å; W247-L254 HydrophobicContact CZ3-CD2 4.19Å; W247-L254 HydrophobicContact CZ3-CG 4.4Å; W247-F269 AromaticContact CH2-CD2 3.83Å; W247-F269 HydrophobicContact CH2-CD2 3.83Å; W247-F269 AromaticContact CH2-CE2 3.9Å; W247-F269 HydrophobicContact CH2-CE2 3.9Å; W247-F269 HydrophobicContact CZ2-CD2 4.08Å; W247-F269 HydrophobicContact CZ2-CE2 4.03Å
248	L	90.1	Very high	93.8	Very high	138 Å²	138	58.2 Å²	58.2	72%	0.723	31%	0.314	S	S	*	.	S	Bend	trans	-75.5	-41.7	172.6	-67.6	173	0	0	0	111.2
249	K	92.9	Very high	93.6	Very high	125 Å²	125	62.2 Å²	62.2	54%	0.543	34%	0.343	S	S	.	.	S	Bend	trans	-116.2	150.5	-177.2	-59.5	-176.5	-176.4	-177.6	0	110.6	W247 E253	W247-K249 WeakPolarHBondContact CB-O 3.44Å; K249-E253 HydrophobicContact CB-CB 4.16Å
250	P	95.6	Very high	93.5	Very high	16 Å²	16	59.6 Å²	59.6	10%	0.104	33%	0.333	C	S	.	.			trans	-69.7	167.1	173.1	31.9	-36.6	0	0	0	112	K243 Y252 E253	K243-P250 HydrophobicContact CB-CB 4.15Å; P250-Y252 VanDerWaalsContact C-N 3.28Å; P250-Y252 HydrophobicContact CB-CD1 3.99Å; P250-Y252 HydrophobicContact CB-CD2 4.41Å; P250-Y252 HydrophobicContact CB-CE1 3.47Å; P250-Y252 VanDerWaalsContact CB-CE1 3.47Å; P250-Y252 HydrophobicContact CB-CE2 3.91Å; P250-Y252 HydrophobicContact CB-CG 4.43Å; P250-Y252 VanDerWaalsContact CB-CZ 3.41Å; P250-Y252 HydrophobicContact CG-CD1 4.39Å; P250-Y252 HydrophobicContact CG-CD2 3.92Å; P250-Y252 HydrophobicContact CG-CE1 3.87Å; P250-Y252 HydrophobicContact CG-CE2 3.3Å; P250-Y252 HydrophobicContact CG-CG 4.42Å; P250-Y252 WeakPolarHBondContact CG-OH 3.07Å; P250-Y252 PolarHBondContact O-N 3.15Å; P250-E253 HydrophobicContact CG-CB 4.12Å; P250-E253 HydrophobicContact CG-CG 3.88Å; P250-E253 PolarHBondContact O-N 3.37Å
251	V	96.1	Very high	93.7	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-63.5	-29.8	-174.4	71	0	0	0	0	114.6	F238 W247 E253 L254 N262 G263 F264	F238-V251 HydrophobicContact CD1-CG1 4.08Å; F238-V251 HydrophobicContact CD2-CG1 4.38Å; F238-V251 HydrophobicContact CE1-CG1 3.77Å; F238-V251 HydrophobicContact CE2-CG1 4.1Å; F238-V251 HydrophobicContact CG-CG1 4.39Å; F238-V251 HydrophobicContact CZ-CG1 3.78Å; W247-V251 HydrophobicContact CH2-CB 4.43Å; W247-V251 HydrophobicContact CH2-CG2 4.19Å; W247-V251 HydrophobicContact CZ3-CB 3.75Å; W247-V251 HydrophobicContact CZ3-CG2 3.94Å; V251-E253 PolarHBondContact O-N 2.95Å; V251-L254 HydrophobicContact CG2-CD1 3.92Å; V251-L254 WeakPolarHBondContact O-CG 3.4Å; V251-N262 PolarHBondContact O-OD1 3.21Å; V251-G263 VanDerWaalsContact O-CA 3.3Å; V251-G263 WeakPolarHBondContact O-CA 3.33Å; V251-G263 PolarHBondContact O-N 3.18Å; V251-F264 HydrophobicContact CG1-CD1 4.45Å; V251-F264 HydrophobicContact CG1-CE1 4.08Å; V251-F264 HydrophobicContact CG2-CD1 3.77Å; V251-F264 HydrophobicContact CG2-CE1 4.04Å
252	Y	94.1	Very high	93.6	Very high	51 Å²	51	57.2 Å²	57.2	20%	0.2	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-80.2	3.3	176.4	52.2	-98	0	0	0	113.7	T235 F238 P250 N262	T235-Y252 HydrophobicContact CG2-CE2 4.05Å; F238-Y252 HydrophobicContact CB-CD1 3.49Å; F238-Y252 VanDerWaalsContact CB-CD1 3.49Å; F238-Y252 HydrophobicContact CB-CE1 3.69Å; F238-Y252 AromaticContact CD2-CD1 3.68Å; F238-Y252 HydrophobicContact CD2-CD1 3.68Å; F238-Y252 HydrophobicContact CD2-CG 4.21Å; F238-Y252 AromaticContact CG-CD1 3.72Å; F238-Y252 HydrophobicContact CG-CD1 3.72Å; F238-Y252 HydrophobicContact CG-CE1 4.36Å; P250-Y252 VanDerWaalsContact C-N 3.28Å; P250-Y252 HydrophobicContact CB-CD1 3.99Å; P250-Y252 HydrophobicContact CB-CD2 4.41Å; P250-Y252 HydrophobicContact CB-CE1 3.47Å; P250-Y252 VanDerWaalsContact CB-CE1 3.47Å; P250-Y252 HydrophobicContact CB-CE2 3.91Å; P250-Y252 HydrophobicContact CB-CG 4.43Å; P250-Y252 VanDerWaalsContact CB-CZ 3.41Å; P250-Y252 HydrophobicContact CG-CD1 4.39Å; P250-Y252 HydrophobicContact CG-CD2 3.92Å; P250-Y252 HydrophobicContact CG-CE1 3.87Å; P250-Y252 HydrophobicContact CG-CE2 3.3Å; P250-Y252 HydrophobicContact CG-CG 4.42Å; P250-Y252 WeakPolarHBondContact CG-OH 3.07Å; P250-Y252 PolarHBondContact O-N 3.15Å; Y252-N262 PolarHBondContact O-ND2 2.88Å; Y252-N262 PolarHBondContact O-OD1 2.89Å
253	E	95.4	Very high	93.6	Very high	79 Å²	79	56.7 Å²	56.7	37%	0.369	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-118	15.1	174.6	-70.9	177.9	-155.1	0	0	112.6	K249 P250 V251	K249-E253 HydrophobicContact CB-CB 4.16Å; P250-E253 HydrophobicContact CG-CB 4.12Å; P250-E253 HydrophobicContact CG-CG 3.88Å; P250-E253 PolarHBondContact O-N 3.37Å; V251-E253 PolarHBondContact O-N 2.95Å
254	L	94.4	Very high	93.7	Very high	55 Å²	55	52.9 Å²	52.9	29%	0.288	29%	0.289	S	S	.	.	S	Bend	trans	-68.2	-40.5	178.8	-71.3	178.9	0	0	0	111.9	W247 V251 N262 N266 F269	W247-L254 HydrophobicContact CH2-CD1 4.24Å; W247-L254 HydrophobicContact CZ3-CD1 4.12Å; W247-L254 HydrophobicContact CZ3-CD2 4.19Å; W247-L254 HydrophobicContact CZ3-CG 4.4Å; V251-L254 HydrophobicContact CG2-CD1 3.92Å; V251-L254 WeakPolarHBondContact O-CG 3.4Å; L254-N262 PolarHBondContact N-OD1 3.14Å; L254-N266 HydrophobicContact CB-CB 4.35Å; L254-N266 HydrophobicContact CD1-CB 4.01Å; L254-F269 HydrophobicContact CD1-CB 4.13Å
255	D	93.9	Very high	93.7	Very high	9 Å²	9	54.2 Å²	54.2	5%	0.048	30%	0.295	C	S	.	.			trans	-141.3	81	173.2	-158.6	-20.5	0	0	0	111.4	S257 D258 N261 N262	D255-S257 PolarHBondContact O-N 2.79Å; D255-S257 VanDerWaalsContact O-N 3.14Å; D255-S257 PolarHBondContact OD1-N 3.07Å; D255-S257 PolarHBondContact OD1-OG 3.26Å; D255-D258 PolarHBondContact O-N 3.49Å; D255-N261 WeakPolarHBondContact CB-O 3.46Å; D255-N261 PolarHBondContact OD2-ND2 3.29Å; D255-N262 PolarHBondContact N-OD1 2.99Å; D255-N262 VanDerWaalsContact N-OD1 3.13Å; D255-N262 WeakPolarHBondContact O-CB 3.46Å; D255-N262 VanDerWaalsContact O-CG 3.31Å; D255-N262 PolarHBondContact O-ND2 2.04Å
256	P	91.1	Very high	93.9	Very high	104 Å²	104	51.2 Å²	51.2	68%	0.675	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.6	-179.8	-20.1	32.8	0	0	0	113.8
257	S	91.2	Very high	94.2	Very high	107 Å²	107	48.4 Å²	48.4	75%	0.748	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-20.6	-178.6	53.9	0	0	0	0	114	D255	D255-S257 PolarHBondContact O-N 2.79Å; D255-S257 VanDerWaalsContact O-N 3.14Å; D255-S257 PolarHBondContact OD1-N 3.07Å; D255-S257 PolarHBondContact OD1-OG 3.26Å
258	D	91.7	Very high	94.3	Very high	52 Å²	52	49.2 Å²	49.2	28%	0.278	27%	0.268	S	S	.	.			trans	-135.4	105.6	-177.2	-176.4	-1.7	0	0	0	110.4	D255 E260 N261 N262	D255-D258 PolarHBondContact O-N 3.49Å; D258-E260 PolarHBondContact O-N 3.41Å; D258-E260 WeakPolarHBondContact OD1-CB 3.28Å; D258-E260 PolarHBondContact OD1-N 3.47Å; D258-N261 HydrophobicContact CB-CB 4.1Å; D258-N261 CarbonylContact O-C 3.56Å; D258-N261 PolarHBondContact O-N 2.74Å; D258-N261 VanDerWaalsContact O-N 3.09Å; D258-N262 WeakPolarHBondContact O-CB 3.38Å; D258-N262 PolarHBondContact O-N 2.8Å
259	S	89.1	Confident	94.7	Very high	86 Å²	86	42.7 Å²	42.7	60%	0.601	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-63	-28.7	179.1	54.2	0	0	0	0	113.2	N261	S259-N261 PolarHBondContact O-N 2.77Å
260	E	91.2	Very high	95	Very high	124 Å²	124	36.8 Å²	36.8	58%	0.579	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-78.6	-3.7	178.3	-63.5	-64.6	131.7	0	0	112.7	K220 D258	K220-E260 WeakPolarHBondContact CE-O 3.46Å; K220-E260 PolarHBondContact NZ-O 2.96Å; D258-E260 PolarHBondContact O-N 3.41Å; D258-E260 WeakPolarHBondContact OD1-CB 3.28Å; D258-E260 PolarHBondContact OD1-N 3.47Å
261	N	94.9	Very high	95.1	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-129.9	27.2	178.6	-167.6	45.2	0	0	0	112.4	T212 D255 D258 S259 N266 E267	T212-N261 HydrophobicContact CG2-CB 4.42Å; D255-N261 WeakPolarHBondContact CB-O 3.46Å; D255-N261 PolarHBondContact OD2-ND2 3.29Å; D258-N261 HydrophobicContact CB-CB 4.1Å; D258-N261 CarbonylContact O-C 3.56Å; D258-N261 PolarHBondContact O-N 2.74Å; D258-N261 VanDerWaalsContact O-N 3.09Å; S259-N261 PolarHBondContact O-N 2.77Å; N261-N266 WeakPolarHBondContact O-CA 3.33Å; N261-N266 VanDerWaalsContact O-CB 3.31Å; N261-N266 WeakPolarHBondContact O-CB 3.29Å; N261-N266 PolarHBondContact O-ND2 3.12Å; N261-E267 WeakPolarHBondContact OD1-CG 3.33Å; N261-E267 PolarHBondContact OD1-N 2.87Å
262	N	95.4	Very high	95.3	Very high	11 Å²	11	36.8 Å²	36.8	6%	0.059	21%	0.208	C	C	.	.	S	Bend	trans	-124.5	157	-176.4	-161.2	16.5	0	0	0	113.2	N226 L234 V251 Y252 L254 D255 D258 I265	N226-N262 PolarHBondContact ND2-O 2.91Å; L234-N262 HydrophobicContact CD1-CB 3.97Å; V251-N262 PolarHBondContact O-OD1 3.21Å; Y252-N262 PolarHBondContact O-ND2 2.88Å; Y252-N262 PolarHBondContact O-OD1 2.89Å; L254-N262 PolarHBondContact N-OD1 3.14Å; D255-N262 PolarHBondContact N-OD1 2.99Å; D255-N262 VanDerWaalsContact N-OD1 3.13Å; D255-N262 WeakPolarHBondContact O-CB 3.46Å; D255-N262 VanDerWaalsContact O-CG 3.31Å; D255-N262 PolarHBondContact O-ND2 2.04Å; D258-N262 WeakPolarHBondContact O-CB 3.38Å; D258-N262 PolarHBondContact O-N 2.8Å; N262-I265 WeakPolarHBondContact O-CG1 3.37Å
263	G	95.8	Very high	95.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	75.1	-145.6	-173.5	0	0	0	0	0	112.6	N226 V251 I265 N266	N226-G263 WeakPolarHBondContact OD1-CA 3.05Å; V251-G263 VanDerWaalsContact O-CA 3.3Å; V251-G263 WeakPolarHBondContact O-CA 3.33Å; V251-G263 PolarHBondContact O-N 3.18Å; G263-I265 PolarHBondContact O-N 2.96Å; G263-N266 WeakPolarHBondContact O-CB 3.5Å; G263-N266 PolarHBondContact O-N 3.18Å
264	F	97.2	Very high	95.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-68.2	-18.3	179.6	-66.3	-29.9	0	0	0	113.7	Q150 L151 L158 A179 P180 R225 N226 F238 V251 N266 F269	Q150-F264 HydrophobicContact CG-CE2 4.34Å; Q150-F264 HydrophobicContact CG-CZ 4.21Å; Q150-F264 WeakPolarHBondContact O-CE2 3.15Å; L151-F264 HydrophobicContact CD2-CD1 4.26Å; L151-F264 HydrophobicContact CD2-CE1 4.4Å; L158-F264 HydrophobicContact CD1-CE2 4.43Å; L158-F264 HydrophobicContact CD1-CZ 4.4Å; A179-F264 HydrophobicContact CB-CZ 4.21Å; P180-F264 HydrophobicContact CB-CD1 4.39Å; P180-F264 HydrophobicContact CB-CE1 3.68Å; P180-F264 HydrophobicContact CB-CZ 4.41Å; P180-F264 HydrophobicContact CG-CE1 4.18Å; R225-F264 WeakPolarHBondContact O-CD2 3.33Å; N226-F264 PolarHBondContact OD1-N 2.88Å; F238-F264 HydrophobicContact CE1-CD2 4.32Å; F238-F264 AromaticContact CE1-CE1 4Å; F238-F264 HydrophobicContact CE1-CE1 4Å; F238-F264 AromaticContact CE1-CE2 3.68Å; F238-F264 HydrophobicContact CE1-CE2 3.68Å; F238-F264 AromaticContact CE1-CZ 3.5Å; F238-F264 HydrophobicContact CE1-CZ 3.5Å; F238-F264 HydrophobicContact CZ-CD1 4.43Å; F238-F264 HydrophobicContact CZ-CD2 4.09Å; F238-F264 HydrophobicContact CZ-CE1 4.24Å; F238-F264 AromaticContact CZ-CE2 3.91Å; F238-F264 HydrophobicContact CZ-CE2 3.91Å; F238-F264 HydrophobicContact CZ-CG 4.34Å; F238-F264 HydrophobicContact CZ-CZ 4.01Å; V251-F264 HydrophobicContact CG1-CD1 4.45Å; V251-F264 HydrophobicContact CG1-CE1 4.08Å; V251-F264 HydrophobicContact CG2-CD1 3.77Å; V251-F264 HydrophobicContact CG2-CE1 4.04Å; F264-N266 VanDerWaalsContact C-N 3.33Å; F264-F269 HydrophobicContact CD1-CE1 4.12Å
265	I	97	Very high	95.7	Very high	28 Å²	28	34.8 Å²	34.8	14%	0.144	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-87.7	0.5	177.5	63.3	169.7	0	0	0	113.7	F224 N262 G263 E267	F224-I265 WeakPolarHBondContact O-CG2 3.34Å; N262-I265 WeakPolarHBondContact O-CG1 3.37Å; G263-I265 PolarHBondContact O-N 2.96Å; I265-E267 PolarHBondContact O-N 2.88Å
266	N	98	Very high	95.9	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.037	20%	0.202	C	C	.	.			trans	-58.1	125.1	174.6	175.5	-93.1	0	0	0	110.5	L254 N261 G263 F264 D268 F269 I270	L254-N266 HydrophobicContact CB-CB 4.35Å; L254-N266 HydrophobicContact CD1-CB 4.01Å; N261-N266 WeakPolarHBondContact O-CA 3.33Å; N261-N266 VanDerWaalsContact O-CB 3.31Å; N261-N266 WeakPolarHBondContact O-CB 3.29Å; N261-N266 PolarHBondContact O-ND2 3.12Å; G263-N266 WeakPolarHBondContact O-CB 3.5Å; G263-N266 PolarHBondContact O-N 3.18Å; F264-N266 VanDerWaalsContact C-N 3.33Å; N266-D268 PolarHBondContact O-N 2.82Å; N266-D268 WeakPolarHBondContact OD1-CB 3.27Å; N266-D268 PolarHBondContact OD1-N 2.9Å; N266-F269 HydrophobicContact CB-CB 4.12Å; N266-F269 WeakPolarHBondContact O-CB 3.45Å; N266-F269 PolarHBondContact O-N 2.84Å; N266-F269 PolarHBondContact OD1-N 2.81Å; N266-I270 WeakPolarHBondContact O-CG1 3.4Å; N266-I270 PolarHBondContact O-N 3.22Å
267	E	98.1	Very high	96.2	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-69.3	-32.8	-170.5	-68.7	-167.9	-143.6	0	0	113.4	T212 G213 I214 A215 K220 N261 I265 F269 I270 V271	T212-E267 WeakPolarHBondContact CA-OE1 3.48Å; G213-E267 WeakPolarHBondContact CA-OE2 3.25Å; G213-E267 VanDerWaalsContact N-CD 3.3Å; G213-E267 PolarHBondContact N-OE1 3.41Å; G213-E267 PolarHBondContact N-OE2 3.46Å; I214-E267 HydrophobicContact CD1-CB 4.03Å; I214-E267 HydrophobicContact CG1-CB 3.6Å; I214-E267 WeakPolarHBondContact CG1-OE2 3.38Å; I214-E267 PolarHBondContact N-OE2 3.33Å; A215-E267 HydrophobicContact CB-CB 4.03Å; A215-E267 HydrophobicContact CB-CG 3.88Å; A215-E267 PolarHBondContact N-OE2 3.45Å; K220-E267 HydrophobicContact CD-CG 3.96Å; K220-E267 IonicContact NZ-OE1 2.74Å; K220-E267 PolarHBondContact NZ-OE1 2.98Å; N261-E267 WeakPolarHBondContact OD1-CG 3.33Å; N261-E267 PolarHBondContact OD1-N 2.87Å; I265-E267 PolarHBondContact O-N 2.88Å; E267-F269 VanDerWaalsContact C-N 3.33Å; E267-F269 PolarHBondContact O-N 2.74Å; E267-I270 PolarHBondContact O-N 2.9Å; E267-V271 WeakPolarHBondContact O-CB 3.22Å; E267-V271 VanDerWaalsContact O-CG2 3.24Å; E267-V271 WeakPolarHBondContact O-CG2 3.47Å; E267-V271 PolarHBondContact O-N 2.81Å
268	D	97.9	Very high	96.5	Very high	36 Å²	36	34.7 Å²	34.7	19%	0.193	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-43.3	173.6	-79.6	-39.5	0	0	0	110.9	I214 N266 W272 R286	I214-D268 WeakPolarHBondContact CD1-OD1 3.3Å; N266-D268 PolarHBondContact O-N 2.82Å; N266-D268 WeakPolarHBondContact OD1-CB 3.27Å; N266-D268 PolarHBondContact OD1-N 2.9Å; D268-W272 PolarHBondContact O-N 3.14Å; D268-R286 IonicContact OD1-CZ 3.29Å; D268-R286 IonicContact OD1-NH1 3.28Å; D268-R286 PolarHBondContact OD1-NH1 3.48Å; D268-R286 IonicContact OD1-NH2 3.36Å; D268-R286 IonicContact OD2-CZ 3.78Å; D268-R286 IonicContact OD2-NH1 2.96Å; D268-R286 PolarHBondContact OD2-NH1 3.35Å; D268-R286 IonicContact OD2-NH2 3.59Å; D268-R286 PolarHBondContact OD2-NH2 3.38Å
269	F	98.3	Very high	96.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-48	174.5	174.7	-109.7	0	0	0	111.8	L151 P180 A185 L188 F224 W247 L254 F264 N266 E267 V271 W272 M273	L151-F269 HydrophobicContact CD2-CE1 3.86Å; L151-F269 HydrophobicContact CD2-CZ 3.72Å; P180-F269 HydrophobicContact CB-CE2 4.32Å; P180-F269 HydrophobicContact CB-CZ 3.83Å; P180-F269 HydrophobicContact CG-CE2 3.75Å; P180-F269 HydrophobicContact CG-CZ 3.72Å; A185-F269 HydrophobicContact CB-CE2 3.91Å; A185-F269 HydrophobicContact CB-CZ 4.37Å; L188-F269 HydrophobicContact CD1-CD2 4.46Å; L188-F269 HydrophobicContact CD2-CD2 4.42Å; F224-F269 HydrophobicContact CD1-CE1 4.21Å; F224-F269 HydrophobicContact CE1-CE1 4.05Å; W247-F269 AromaticContact CH2-CD2 3.83Å; W247-F269 HydrophobicContact CH2-CD2 3.83Å; W247-F269 AromaticContact CH2-CE2 3.9Å; W247-F269 HydrophobicContact CH2-CE2 3.9Å; W247-F269 HydrophobicContact CZ2-CD2 4.08Å; W247-F269 HydrophobicContact CZ2-CE2 4.03Å; L254-F269 HydrophobicContact CD1-CB 4.13Å; F264-F269 HydrophobicContact CD1-CE1 4.12Å; N266-F269 HydrophobicContact CB-CB 4.12Å; N266-F269 WeakPolarHBondContact O-CB 3.45Å; N266-F269 PolarHBondContact O-N 2.84Å; N266-F269 PolarHBondContact OD1-N 2.81Å; E267-F269 VanDerWaalsContact C-N 3.33Å; E267-F269 PolarHBondContact O-N 2.74Å; F269-V271 PolarHBondContact O-N 3.24Å; F269-W272 WeakPolarHBondContact O-CB 3.46Å; F269-W272 PolarHBondContact O-N 2.92Å; F269-W272 VanDerWaalsContact O-N 3.16Å; F269-M273 HydrophobicContact CD1-CG 4.22Å; F269-M273 HydrophobicContact CD2-CG 3.97Å; F269-M273 HydrophobicContact CD2-SD 4.47Å; F269-M273 HydrophobicContact CE1-CG 3.81Å; F269-M273 HydrophobicContact CE2-CG 3.51Å; F269-M273 HydrophobicContact CE2-SD 3.61Å; F269-M273 HydrophobicContact CG-CG 4.3Å; F269-M273 HydrophobicContact CZ-CE 4.26Å; F269-M273 HydrophobicContact CZ-CG 3.43Å; F269-M273 VanDerWaalsContact CZ-CG 3.43Å; F269-M273 HydrophobicContact CZ-SD 3.72Å; F269-M273 VanDerWaalsContact O-CG 3.28Å; F269-M273 WeakPolarHBondContact O-CG 3.21Å; F269-M273 PolarHBondContact O-N 3.05Å
270	I	98.5	Very high	97.2	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-58.5	-47.2	177.9	-70.4	171.8	0	0	0	111.3	A215 D219 K220 F224 N266 E267 W272 M273 R274	A215-I270 HydrophobicContact CB-CB 4.26Å; A215-I270 HydrophobicContact CB-CG2 3.83Å; D219-I270 HydrophobicContact CB-CG2 3.57Å; K220-I270 HydrophobicContact CB-CD1 4.27Å; K220-I270 HydrophobicContact CG-CD1 4.41Å; F224-I270 HydrophobicContact CB-CD1 4.12Å; F224-I270 HydrophobicContact CB-CG1 4.21Å; F224-I270 HydrophobicContact CD1-CG1 4.26Å; F224-I270 HydrophobicContact CD2-CD1 4.32Å; F224-I270 HydrophobicContact CD2-CG1 3.91Å; F224-I270 HydrophobicContact CD2-CG2 4.24Å; F224-I270 HydrophobicContact CE2-CG1 4.32Å; F224-I270 HydrophobicContact CE2-CG2 4.15Å; F224-I270 HydrophobicContact CG-CD1 4.28Å; F224-I270 HydrophobicContact CG-CG1 3.88Å; N266-I270 WeakPolarHBondContact O-CG1 3.4Å; N266-I270 PolarHBondContact O-N 3.22Å; E267-I270 PolarHBondContact O-N 2.9Å; I270-W272 VanDerWaalsContact C-N 3.25Å; I270-W272 PolarHBondContact O-N 3.21Å; I270-M273 PolarHBondContact O-N 3.35Å; I270-R274 PolarHBondContact O-N 3.1Å
271	V	98.6	Very high	97.5	Very high	18 Å²	18	27.8 Å²	27.8	11%	0.109	16%	0.16	C	C	.	.	H	α-helix	trans	-59.2	-39.9	178.5	167.7	0	0	0	0	110.7	I214 A215 E267 F269 K283	I214-V271 HydrophobicContact CB-CG2 4.49Å; I214-V271 HydrophobicContact CD1-CG2 4.19Å; I214-V271 HydrophobicContact CG1-CG2 4.04Å; A215-V271 HydrophobicContact CB-CG2 4.41Å; E267-V271 WeakPolarHBondContact O-CB 3.22Å; E267-V271 VanDerWaalsContact O-CG2 3.24Å; E267-V271 WeakPolarHBondContact O-CG2 3.47Å; E267-V271 PolarHBondContact O-N 2.81Å; F269-V271 PolarHBondContact O-N 3.24Å; V271-K283 HydrophobicContact CG1-CB 3.79Å; V271-K283 HydrophobicContact CG1-CD 4.31Å; V271-K283 HydrophobicContact CG1-CG 4.16Å; V271-K283 PolarHBondContact O-NZ 2.89Å
272	W	98.5	Very high	97.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-48	175.4	-179.9	-104.3	0	0	0	112.7	Y130 L132 F135 Q137 Y142 I184 S187 L188 F189 D268 F269 I270 R274 F281 K283	Y130-W272 HydrophobicContact CE2-CE3 4.32Å; Y130-W272 HydrophobicContact CE2-CZ3 4.29Å; L132-W272 HydrophobicContact CD1-CH2 3.99Å; L132-W272 HydrophobicContact CD1-CZ3 3.88Å; F135-W272 HydrophobicContact CD1-CH2 4.33Å; F135-W272 AromaticContact CE1-CH2 3.66Å; F135-W272 HydrophobicContact CE1-CH2 3.66Å; F135-W272 AromaticContact CE1-CZ2 3.86Å; F135-W272 HydrophobicContact CE1-CZ2 3.86Å; F135-W272 AromaticContact CZ-CH2 4Å; F135-W272 HydrophobicContact CZ-CH2 4Å; F135-W272 HydrophobicContact CZ-CZ2 4.02Å; Q137-W272 VanDerWaalsContact NE2-CZ2 3.29Å; Y142-W272 WeakPolarHBondContact OH-CZ2 3.3Å; I184-W272 PolarHBondContact O-NE1 2.77Å; S187-W272 VanDerWaalsContact O-CE2 3.32Å; S187-W272 WeakPolarHBondContact O-CZ2 3.31Å; L188-W272 HydrophobicContact CD1-CB 3.36Å; L188-W272 HydrophobicContact CD1-CD2 4.23Å; L188-W272 HydrophobicContact CD1-CG 3.42Å; L188-W272 VanDerWaalsContact CD1-CG 3.42Å; F189-W272 HydrophobicContact CB-CE3 3.78Å; F189-W272 HydrophobicContact CB-CH2 4.43Å; F189-W272 HydrophobicContact CB-CZ3 3.74Å; D268-W272 PolarHBondContact O-N 3.14Å; F269-W272 WeakPolarHBondContact O-CB 3.46Å; F269-W272 PolarHBondContact O-N 2.92Å; F269-W272 VanDerWaalsContact O-N 3.16Å; I270-W272 VanDerWaalsContact C-N 3.25Å; I270-W272 PolarHBondContact O-N 3.21Å; W272-R274 PolarHBondContact O-N 2.94Å; W272-F281 HydrophobicContact CZ3-CE2 4.35Å; W272-F281 HydrophobicContact CZ3-CZ 4.32Å; W272-K283 HydrophobicContact CE3-CD 3.8Å; W272-K283 HydrophobicContact CZ3-CD 4.29Å; W272-K283 PolarHBondContact O-NZ 3.41Å; W272-K283 VanDerWaalsContact O-NZ 3.13Å
273	M	98.3	Very high	97.8	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.02	18%	0.177	C	C	.	.	H	α-helix	trans	-60.9	-19.9	-176.7	-71.9	-58.6	-71.1	0	0	114	R146 L151 I184 A185 F224 F269 I270 T275	R146-M273 HydrophobicContact CB-CE 4.24Å; L151-M273 HydrophobicContact CD1-CE 3.51Å; L151-M273 HydrophobicContact CD2-CE 4.28Å; I184-M273 HydrophobicContact CB-CE 4.27Å; I184-M273 HydrophobicContact CB-SD 4.07Å; I184-M273 HydrophobicContact CG2-CE 4.19Å; I184-M273 HydrophobicContact CG2-SD 3.59Å; I184-M273 VanDerWaalsContact CG2-SD 3.59Å; A185-M273 HydrophobicContact CB-CE 4.42Å; A185-M273 HydrophobicContact CB-SD 3.85Å; F224-M273 HydrophobicContact CE1-CB 4.11Å; F224-M273 HydrophobicContact CE1-CG 4.17Å; F224-M273 HydrophobicContact CZ-CB 3.74Å; F224-M273 HydrophobicContact CZ-CG 4.31Å; F269-M273 HydrophobicContact CD1-CG 4.22Å; F269-M273 HydrophobicContact CD2-CG 3.97Å; F269-M273 HydrophobicContact CD2-SD 4.47Å; F269-M273 HydrophobicContact CE1-CG 3.81Å; F269-M273 HydrophobicContact CE2-CG 3.51Å; F269-M273 HydrophobicContact CE2-SD 3.61Å; F269-M273 HydrophobicContact CG-CG 4.3Å; F269-M273 HydrophobicContact CZ-CE 4.26Å; F269-M273 HydrophobicContact CZ-CG 3.43Å; F269-M273 VanDerWaalsContact CZ-CG 3.43Å; F269-M273 HydrophobicContact CZ-SD 3.72Å; F269-M273 VanDerWaalsContact O-CG 3.28Å; F269-M273 WeakPolarHBondContact O-CG 3.21Å; F269-M273 PolarHBondContact O-N 3.05Å; I270-M273 PolarHBondContact O-N 3.35Å; M273-T275 PolarHBondContact O-N 3.27Å; M273-T275 VanDerWaalsContact O-N 3.13Å
274	R	97.9	Very high	97.9	Very high	98 Å²	98	34 Å²	34	37%	0.37	19%	0.185	S	C	.	.	S	Bend	trans	-74.5	95.6	168.6	-172.7	177.7	-70.8	-164.2	-3.1	111.1	W216 D219 I270 W272 A276 K283	W216-R274 VanDerWaalsContact CG-NH2 3.31Å; D219-R274 VanDerWaalsContact CG-NH2 3.29Å; D219-R274 IonicContact OD1-NH2 3.62Å; D219-R274 IonicContact OD2-CZ 3.54Å; D219-R274 VanDerWaalsContact OD2-CZ 3.31Å; D219-R274 IonicContact OD2-NE 3.3Å; D219-R274 PolarHBondContact OD2-NE 3.25Å; D219-R274 IonicContact OD2-NH2 3.74Å; D219-R274 PolarHBondContact OD2-NH2 3.16Å; I270-R274 PolarHBondContact O-N 3.1Å; W272-R274 PolarHBondContact O-N 2.94Å; R274-A276 PolarHBondContact O-N 3.47Å; R274-K283 PolarHBondContact O-NZ 3.37Å
275	T	97.3	Very high	97.9	Very high	41 Å²	41	34.7 Å²	34.7	25%	0.252	19%	0.188	S	C	.	.			trans	-56.7	131	-179	53.6	0	0	0	0	113	V143 I184 M273	V143-T275 HydrophobicContact CG2-CG2 4.34Å; I184-T275 HydrophobicContact CD1-CG2 3.69Å; I184-T275 HydrophobicContact CG1-CG2 4.38Å; M273-T275 PolarHBondContact O-N 3.27Å; M273-T275 VanDerWaalsContact O-N 3.13Å
276	A	97.9	Very high	98	Very high	19 Å²	19	34.1 Å²	34.1	16%	0.157	18%	0.183	C	C	.	.			trans	-74.1	147	172.8	0	0	0	0	0	111.8	Q137 R274 F281	Q137-A276 HydrophobicContact CB-CB 4.42Å; R274-A276 PolarHBondContact O-N 3.47Å; A276-F281 HydrophobicContact CB-CB 3.54Å; A276-F281 HydrophobicContact CB-CD1 3.61Å; A276-F281 HydrophobicContact CB-CD2 3.99Å; A276-F281 HydrophobicContact CB-CE1 4.28Å; A276-F281 HydrophobicContact CB-CG 3.44Å; A276-F281 VanDerWaalsContact CB-CG 3.44Å
277	A	97.2	Very high	98	Very high	83 Å²	83	34.6 Å²	34.6	69%	0.686	19%	0.186	S	C	*	.	S	Bend	trans	-80.5	-21.2	-179.3	0	0	0	0	0	113.7	N138	N138-A277 PolarHBondContact ND2-O 3.08Å
278	L	97.4	Very high	97.9	Very high	116 Å²	116	34.8 Å²	34.8	61%	0.607	19%	0.187	S	C	*	.	S	Bend	trans	-122	153.4	-175.1	-64.6	175.4	0	0	0	110.5	T280 F281	L278-T280 PolarHBondContact O-N 3.49Å; L278-F281 WeakPolarHBondContact O-CD1 3.22Å
279	P	97.3	Very high	97.7	Very high	30 Å²	30	38.5 Å²	38.5	20%	0.195	20%	0.203	C	C	.	.	S	Bend	trans	-69.1	-19.2	179	27.6	-35.6	0	0	0	113.9	S133 N134 F135 Y136	S133-P279 CarbonylContact C-O 3.22Å; N134-P279 PolarHBondContact N-O 3.4Å; F135-P279 PolarHBondContact N-O 2.93Å; F135-P279 WeakPolarHBondContact O-CA 3.48Å; Y136-P279 HydrophobicContact CD1-CB 3.65Å; Y136-P279 HydrophobicContact CD1-CG 4.26Å; Y136-P279 HydrophobicContact CD2-CB 4.34Å; Y136-P279 HydrophobicContact CE1-CB 3.51Å; Y136-P279 HydrophobicContact CE1-CG 3.82Å; Y136-P279 HydrophobicContact CE2-CB 4.22Å; Y136-P279 HydrophobicContact CG-CB 4.06Å
280	T	97.9	Very high	97.4	Very high	68 Å²	68	43.3 Å²	43.3	42%	0.417	22%	0.224	S	C	.	.	S	Bend	trans	-112.4	111.3	175.1	-62.6	0	0	0	0	107.5	L132 L278	L132-T280 WeakPolarHBondContact O-CA 3.19Å; L278-T280 PolarHBondContact O-N 3.49Å
281	F	98	Very high	96.9	Very high	18 Å²	18	49.1 Å²	49.1	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	168.8	-174.9	62.3	-91.3	0	0	0	111.4	G131 L132 F135 Q137 W272 A276 L278 K283	G131-F281 WeakPolarHBondContact CA-O 3.28Å; L132-F281 HydrophobicContact CB-CE1 4.15Å; L132-F281 HydrophobicContact CB-CE2 4.2Å; L132-F281 HydrophobicContact CB-CZ 3.87Å; L132-F281 HydrophobicContact CD1-CE2 4.19Å; L132-F281 HydrophobicContact CD1-CZ 3.82Å; L132-F281 HydrophobicContact CG-CE2 4.46Å; L132-F281 HydrophobicContact CG-CZ 4.31Å; L132-F281 PolarHBondContact N-O 3.42Å; L132-F281 PolarHBondContact O-N 3.28Å; F135-F281 HydrophobicContact CB-CE1 4.05Å; F135-F281 AromaticContact CD1-CE1 3.79Å; F135-F281 HydrophobicContact CD1-CE1 3.79Å; F135-F281 AromaticContact CD1-CZ 3.81Å; F135-F281 HydrophobicContact CD1-CZ 3.81Å; F135-F281 HydrophobicContact CG-CE1 4.38Å; F135-F281 WeakPolarHBondContact O-CE1 3.38Å; Q137-F281 HydrophobicContact CG-CE1 3.99Å; Q137-F281 HydrophobicContact CG-CZ 4.04Å; W272-F281 HydrophobicContact CZ3-CE2 4.35Å; W272-F281 HydrophobicContact CZ3-CZ 4.32Å; A276-F281 HydrophobicContact CB-CB 3.54Å; A276-F281 HydrophobicContact CB-CD1 3.61Å; A276-F281 HydrophobicContact CB-CD2 3.99Å; A276-F281 HydrophobicContact CB-CE1 4.28Å; A276-F281 HydrophobicContact CB-CG 3.44Å; A276-F281 VanDerWaalsContact CB-CG 3.44Å; L278-F281 WeakPolarHBondContact O-CD1 3.22Å; F281-K283 HydrophobicContact CD2-CD 4.27Å; F281-K283 HydrophobicContact CD2-CG 4.03Å; F281-K283 HydrophobicContact CE2-CD 3.88Å; F281-K283 HydrophobicContact CE2-CG 4.15Å
282	R	97.8	Very high	96.1	Very high	96 Å²	96	54 Å²	54	36%	0.362	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.4	171	66.6	178.9	82.4	-179.1	-2.4	109.1	E81 Y129 Y130 I323	E81-R282 VanDerWaalsContact CD-NH1 3.31Å; E81-R282 IonicContact OE1-CZ 2.97Å; E81-R282 IonicContact OE1-NH1 2.69Å; E81-R282 PolarHBondContact OE1-NH1 2.99Å; E81-R282 IonicContact OE1-NH2 3.69Å; E81-R282 PolarHBondContact OE1-NH2 3.49Å; E81-R282 IonicContact OE2-CZ 3.33Å; E81-R282 IonicContact OE2-NH1 3.64Å; E81-R282 PolarHBondContact OE2-NH1 3.33Å; E81-R282 IonicContact OE2-NH2 2.74Å; Y129-R282 HydrophobicContact CD1-CG 4.22Å; Y130-R282 CarbonylContact O-C 3.53Å; Y130-R282 VanDerWaalsContact O-CA 3.28Å; Y130-R282 WeakPolarHBondContact O-CA 3.23Å; R282-I323 HydrophobicContact CB-CD1 3.96Å
283	K	98.3	Very high	95.3	Very high	17 Å²	17	61.6 Å²	61.6	7%	0.074	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.5	177.6	-78.2	177	-178.1	-68.9	0	109	Y129 Y130 V271 W272 R274 F281 Y285	Y129-K283 WeakPolarHBondContact CA-O 3.3Å; Y129-K283 WeakPolarHBondContact CB-O 3.4Å; Y130-K283 HydrophobicContact CD2-CB 4.26Å; Y130-K283 HydrophobicContact CE1-CB 3.95Å; Y130-K283 HydrophobicContact CE2-CB 3.6Å; Y130-K283 HydrophobicContact CE2-CD 3.79Å; Y130-K283 HydrophobicContact CE2-CG 4.2Å; Y130-K283 VanDerWaalsContact CZ-CB 3.4Å; Y130-K283 PolarHBondContact N-O 2.86Å; Y130-K283 PolarHBondContact O-N 3.5Å; Y130-K283 WeakPolarHBondContact OH-CB 3.43Å; Y130-K283 WeakPolarHBondContact OH-CD 3.4Å; V271-K283 HydrophobicContact CG1-CB 3.79Å; V271-K283 HydrophobicContact CG1-CD 4.31Å; V271-K283 HydrophobicContact CG1-CG 4.16Å; V271-K283 PolarHBondContact O-NZ 2.89Å; W272-K283 HydrophobicContact CE3-CD 3.8Å; W272-K283 HydrophobicContact CZ3-CD 4.29Å; W272-K283 PolarHBondContact O-NZ 3.41Å; W272-K283 VanDerWaalsContact O-NZ 3.13Å; R274-K283 PolarHBondContact O-NZ 3.37Å; F281-K283 HydrophobicContact CD2-CD 4.27Å; F281-K283 HydrophobicContact CD2-CG 4.03Å; F281-K283 HydrophobicContact CE2-CD 3.88Å; F281-K283 HydrophobicContact CE2-CG 4.15Å; K283-Y285 PolarHBondContact O-N 3.44Å
284	L	98.3	Very high	94.3	Very high	29 Å²	29	64.3 Å²	64.3	15%	0.152	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	126.1	-178.1	-177.5	59.5	0	0	0	108.6	Y127 Y129 I214 I287	Y127-L284 HydrophobicContact CD1-CD1 3.89Å; Y127-L284 HydrophobicContact CD1-CD2 4.26Å; Y127-L284 HydrophobicContact CG-CD1 4.38Å; Y129-L284 HydrophobicContact CD1-CB 4.08Å; Y129-L284 HydrophobicContact CD1-CD1 4.21Å; Y129-L284 HydrophobicContact CE1-CB 3.91Å; Y129-L284 HydrophobicContact CE1-CD1 3.86Å; Y129-L284 HydrophobicContact CE1-CG 4.46Å; Y129-L284 HydrophobicContact CE2-CD1 4.48Å; I214-L284 HydrophobicContact CB-CD2 3.72Å; I214-L284 HydrophobicContact CB-CG 3.92Å; I214-L284 HydrophobicContact CG2-CD2 3.87Å; I214-L284 HydrophobicContact CG2-CG 3.92Å; L284-I287 HydrophobicContact CD2-CD1 4.5Å; L284-I287 HydrophobicContact CD2-CG1 4.38Å
285	Y	98.3	Very high	93.3	Very high	16 Å²	16	64.1 Å²	64.1	6%	0.063	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-58	178.4	-173	-123.4	0	0	0	109.4	M128 Y130 L193 I214 K283	M128-Y285 HydrophobicContact CE-CD1 4.29Å; M128-Y285 HydrophobicContact CG-CD1 4.42Å; M128-Y285 WeakPolarHBondContact O-CA 3.5Å; M128-Y285 VanDerWaalsContact O-CB 3.3Å; M128-Y285 WeakPolarHBondContact O-CB 3.45Å; M128-Y285 PolarHBondContact O-N 3.05Å; M128-Y285 HydrophobicContact SD-CD1 3.96Å; Y130-Y285 AromaticContact CD1-CD2 3.9Å; Y130-Y285 HydrophobicContact CD1-CD2 3.9Å; Y130-Y285 HydrophobicContact CD1-CG 4.11Å; Y130-Y285 HydrophobicContact CE1-CD2 4.14Å; L193-Y285 HydrophobicContact CB-CD1 4.16Å; L193-Y285 HydrophobicContact CB-CE1 3.64Å; L193-Y285 HydrophobicContact CD1-CD1 4.19Å; L193-Y285 HydrophobicContact CD1-CE1 4.37Å; L193-Y285 HydrophobicContact CG-CD1 4.48Å; L193-Y285 HydrophobicContact CG-CE1 4.16Å; L193-Y285 PolarHBondContact N-OH 3.41Å; L193-Y285 WeakPolarHBondContact O-CE1 3.47Å; I214-Y285 WeakPolarHBondContact CD1-O 3.33Å; K283-Y285 PolarHBondContact O-N 3.44Å
286	R	98.1	Very high	92.8	Very high	15 Å²	15	64.1 Å²	64.1	6%	0.057	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.2	-174.9	-57.8	-69.3	171.8	-111.5	4.7	111.5	M128 L209 V210 D268	M128-R286 HydrophobicContact CB-CB 4.3Å; M128-R286 PolarHBondContact N-O 2.82Å; M128-R286 PolarHBondContact O-N 3.31Å; M128-R286 VanDerWaalsContact O-N 3.07Å; L209-R286 HydrophobicContact CB-CB 3.87Å; L209-R286 HydrophobicContact CB-CG 3.86Å; L209-R286 HydrophobicContact CD1-CG 4.18Å; L209-R286 HydrophobicContact CD2-CB 4.46Å; V210-R286 WeakPolarHBondContact O-CA 3.31Å; V210-R286 WeakPolarHBondContact O-CD 3.5Å; D268-R286 IonicContact OD1-CZ 3.29Å; D268-R286 IonicContact OD1-NH1 3.28Å; D268-R286 PolarHBondContact OD1-NH1 3.48Å; D268-R286 IonicContact OD1-NH2 3.36Å; D268-R286 IonicContact OD2-CZ 3.78Å; D268-R286 IonicContact OD2-NH1 2.96Å; D268-R286 PolarHBondContact OD2-NH1 3.35Å; D268-R286 IonicContact OD2-NH2 3.59Å; D268-R286 PolarHBondContact OD2-NH2 3.38Å
287	I	97.7	Very high	92.6	Very high	17 Å²	17	64.4 Å²	64.4	9%	0.087	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.4	172.7	-57.6	169.3	0	0	0	108.6	Y127 V210 G213 I214 L284 Q289	Y127-I287 HydrophobicContact CD1-CD1 4.49Å; Y127-I287 HydrophobicContact CD1-CG1 3.92Å; Y127-I287 HydrophobicContact CE1-CD1 4.14Å; Y127-I287 HydrophobicContact CE1-CG1 4Å; Y127-I287 HydrophobicContact CE1-CG2 4.3Å; V210-I287 HydrophobicContact CB-CB 4.47Å; V210-I287 WeakPolarHBondContact CB-O 3.4Å; V210-I287 PolarHBondContact N-O 3.34Å; V210-I287 PolarHBondContact O-N 3.34Å; V210-I287 VanDerWaalsContact O-N 3.1Å; G213-I287 WeakPolarHBondContact O-CD1 3.37Å; I214-I287 HydrophobicContact CG2-CD1 4.05Å; I214-I287 HydrophobicContact CG2-CG1 3.99Å; L284-I287 HydrophobicContact CD2-CD1 4.5Å; L284-I287 HydrophobicContact CD2-CG1 4.38Å; I287-Q289 HydrophobicContact CG2-CG 3.96Å
288	I	96.7	Very high	92.5	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	100.2	170.6	-52.4	167.6	0	0	0	105.4	V126 L195 V207 L209 T297 L298 L324	V126-I288 HydrophobicContact CB-CB 4.16Å; V126-I288 HydrophobicContact CB-CD1 4.37Å; V126-I288 HydrophobicContact CG1-CD1 4.46Å; V126-I288 PolarHBondContact N-O 3.34Å; V126-I288 PolarHBondContact O-N 3.14Å; L195-I288 HydrophobicContact CD2-CD1 4.17Å; V207-I288 HydrophobicContact CG1-CD1 4.09Å; V207-I288 HydrophobicContact CG1-CG1 4.32Å; V207-I288 HydrophobicContact CG1-CG2 3.99Å; L209-I288 HydrophobicContact CD2-CD1 3.87Å; L209-I288 HydrophobicContact CD2-CG1 3.58Å; I288-T297 HydrophobicContact CB-CG2 4.41Å; I288-T297 HydrophobicContact CG2-CG2 3.68Å; I288-L298 HydrophobicContact CD1-CD1 4.05Å; I288-L298 HydrophobicContact CD1-CD2 4.27Å; I288-L298 HydrophobicContact CG2-CD2 4.36Å; I288-L324 HydrophobicContact CD1-CD2 4.27Å
289	Q	94.1	Very high	92.3	Very high	115 Å²	115	56.6 Å²	56.6	54%	0.537	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-74.1	138.3	-176.5	-65.3	-177.7	3.2	0	0	110.3	V210 I287 K291	V210-Q289 HydrophobicContact CG2-CG 4.08Å; I287-Q289 HydrophobicContact CG2-CG 3.96Å; Q289-K291 PolarHBondContact O-N 3.47Å
290	K	91.3	Very high	92.2	Very high	101 Å²	101	58.1 Å²	58.1	44%	0.439	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-62.6	124.7	169.4	-180	178.8	177.9	167.8	0	108.6	E123 N125 T295	E123-K290 WeakPolarHBondContact O-CD 3.27Å; N125-K290 WeakPolarHBondContact OD1-CB 3.41Å; N125-K290 PolarHBondContact OD1-N 3.16Å; K290-T295 VanDerWaalsContact CE-CG2 3.45Å
291	K	87.8	Confident	92	Very high	123 Å²	123	55.9 Å²	55.9	54%	0.535	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-80.8	143.3	172.1	-64.6	179.7	-179.1	179.6	0	109.1	Q289 D293 S294	Q289-K291 PolarHBondContact O-N 3.47Å; K291-D293 VanDerWaalsContact C-N 3.3Å; K291-D293 PolarHBondContact O-N 3.31Å; K291-S294 PolarHBondContact O-N 2.99Å
292	P	82.5	Confident	91.9	Very high	119 Å²	119	60.1 Å²	60.1	77%	0.773	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-39.6	-178	20.5	-30.4	0	0	0	112.7
293	D	81.3	Confident	91.9	Very high	160 Å²	160	55.8 Å²	55.8	86%	0.856	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	1.7	-173.4	-52.6	-43.9	0	0	0	114.3	K291	K291-D293 VanDerWaalsContact C-N 3.3Å; K291-D293 PolarHBondContact O-N 3.31Å
294	S	76.8	Confident	91.8	Very high	61 Å²	61	56.3 Å²	56.3	43%	0.427	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-127.5	105.9	-177.3	-174.3	0	0	0	0	110.1	K291	K291-S294 PolarHBondContact O-N 2.99Å
295	T	76.7	Confident	91.8	Very high	95 Å²	95	54.9 Å²	54.9	58%	0.583	31%	0.305	S	S	*	.	S	Bend	trans	-119.8	136.6	166.4	47.5	0	0	0	0	108.7	K290	K290-T295 VanDerWaalsContact CE-CG2 3.45Å
296	P	87.8	Confident	91.8	Very high	41 Å²	41	57.7 Å²	57.7	27%	0.266	32%	0.317	S	S	.	.	S	Bend	cis	-77.6	160.7	-0.2	33.9	-37.8	0	0	0	113.9	P121 F122 L298 A299	P121-P296 HydrophobicContact CB-CB 3.65Å; P121-P296 HydrophobicContact CB-CG 3.69Å; F122-P296 WeakPolarHBondContact O-CB 3.37Å; P296-L298 VanDerWaalsContact C-N 3.33Å; P296-L298 PolarHBondContact O-N 3.47Å; P296-A299 HydrophobicContact CG-CB 3.97Å
297	T	93.1	Very high	91.8	Very high	24 Å²	24	57 Å²	57	15%	0.147	31%	0.314	C	S	.	.	S	Bend	trans	-61	-42.7	174.4	-53.8	0	0	0	0	111.5	F122 S124 V126 I288	F122-T297 WeakPolarHBondContact O-CB 3.36Å; F122-T297 PolarHBondContact O-N 3.44Å; S124-T297 VanDerWaalsContact O-CB 3.27Å; S124-T297 WeakPolarHBondContact O-CB 3.5Å; S124-T297 PolarHBondContact O-OG1 3.28Å; V126-T297 HydrophobicContact CG2-CG2 4.04Å; I288-T297 HydrophobicContact CB-CG2 4.41Å; I288-T297 HydrophobicContact CG2-CG2 3.68Å
298	L	94.6	Very high	91.7	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-125.2	118.1	166.4	-61.4	176.7	0	0	0	108.5	L118 P121 F122 V126 V207 I288 P296 Y303 L324	L118-L298 HydrophobicContact CD1-CB 4.22Å; L118-L298 HydrophobicContact CD1-CD1 4.27Å; P121-L298 CarbonylContact C-O 3.53Å; P121-L298 VanDerWaalsContact CA-O 3.31Å; P121-L298 WeakPolarHBondContact CA-O 3.32Å; F122-L298 HydrophobicContact CB-CB 4.1Å; F122-L298 HydrophobicContact CD2-CB 4.44Å; F122-L298 HydrophobicContact CG-CB 4.48Å; F122-L298 PolarHBondContact N-O 3.29Å; F122-L298 PolarHBondContact O-N 3.13Å; V126-L298 HydrophobicContact CB-CD1 4.22Å; V126-L298 HydrophobicContact CG1-CD1 3.91Å; V126-L298 HydrophobicContact CG2-CD1 4.05Å; V126-L298 HydrophobicContact CG2-CG 4.17Å; V207-L298 HydrophobicContact CG1-CD2 4.08Å; V207-L298 HydrophobicContact CG2-CD2 4.48Å; I288-L298 HydrophobicContact CD1-CD1 4.05Å; I288-L298 HydrophobicContact CD1-CD2 4.27Å; I288-L298 HydrophobicContact CG2-CD2 4.36Å; P296-L298 VanDerWaalsContact C-N 3.33Å; P296-L298 PolarHBondContact O-N 3.47Å; L298-Y303 HydrophobicContact CD2-CE1 4.05Å; L298-L324 HydrophobicContact CD1-CD1 4.07Å
299	A	93.8	Very high	91.6	Very high	32 Å²	32	57.1 Å²	57.1	26%	0.264	32%	0.316	S	S	.	.			trans	-71.4	153.6	175.4	0	0	0	0	0	111.5	P296 Y303	P296-A299 HydrophobicContact CG-CB 3.97Å; A299-Y303 PolarHBondContact N-OH 2.99Å; A299-Y303 VanDerWaalsContact N-OH 3.08Å; A299-Y303 VanDerWaalsContact O-CE2 3.24Å; A299-Y303 WeakPolarHBondContact O-CE2 3.13Å; A299-Y303 PolarHBondContact O-OH 3.32Å
300	S	94.6	Very high	91.6	Very high	62 Å²	62	53.3 Å²	53.3	43%	0.434	30%	0.299	S	S	.	.	S	Bend	trans	-62.2	135	165	54.1	0	0	0	0	109.3	L118	L118-S300 CarbonylContact O-C 3.55Å; L118-S300 VanDerWaalsContact O-CA 3.24Å; L118-S300 WeakPolarHBondContact O-CA 3.22Å; L118-S300 WeakPolarHBondContact O-CB 3.42Å
301	G	94.7	Very high	91.7	Very high	21 Å²	21	49.1 Å²	49.1	22%	0.216	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.6	-172.2	-177.2	0	0	0	0	0	112.5	T117 L118 Y303	T117-G301 CarbonylContact C-O 3.56Å; T117-G301 WeakPolarHBondContact CA-O 3.32Å; L118-G301 PolarHBondContact N-O 3Å; L118-G301 PolarHBondContact O-N 2.96Å; G301-Y303 WeakPolarHBondContact O-CD2 3.5Å
302	K	96.6	Very high	91.9	Very high	107 Å²	107	44.1 Å²	44.1	47%	0.465	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.6	-176	-171.5	177.7	-178.9	-177.3	0	110	T115 F116 S198	T115-K302 HydrophobicContact CG2-CD 4.08Å; T115-K302 HydrophobicContact CG2-CG 3.83Å; F116-K302 CarbonylContact O-C 3.59Å; F116-K302 WeakPolarHBondContact O-CA 3.29Å; S198-K302 WeakPolarHBondContact CA-O 3.39Å; S198-K302 VanDerWaalsContact CB-O 3.29Å; S198-K302 WeakPolarHBondContact CB-O 3.24Å; S198-K302 PolarHBondContact N-O 2.95Å
303	Y	97.1	Very high	92.5	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	153	177.6	-71.2	-99	0	0	0	110	T115 F116 L118 L195 Y196 Y197 V207 L298 A299 G301	T115-Y303 WeakPolarHBondContact CA-O 3.3Å; F116-Y303 HydrophobicContact CE2-CD2 4.46Å; F116-Y303 HydrophobicContact CE2-CG 4.3Å; F116-Y303 HydrophobicContact CZ-CG 4.29Å; F116-Y303 PolarHBondContact N-O 3.4Å; F116-Y303 PolarHBondContact O-N 3.36Å; L118-Y303 HydrophobicContact CB-CD2 4.33Å; L118-Y303 HydrophobicContact CB-CE2 4.1Å; L118-Y303 HydrophobicContact CD1-CD2 3.87Å; L118-Y303 HydrophobicContact CD1-CE2 3.51Å; L118-Y303 HydrophobicContact CG-CD2 3.81Å; L118-Y303 HydrophobicContact CG-CE2 3.82Å; L195-Y303 HydrophobicContact CD1-CD1 4.18Å; L195-Y303 HydrophobicContact CD2-CD1 4.42Å; L195-Y303 HydrophobicContact CG-CD1 4.22Å; Y196-Y303 CarbonylContact O-C 3.56Å; Y196-Y303 VanDerWaalsContact O-CA 3.25Å; Y196-Y303 WeakPolarHBondContact O-CA 3.24Å; Y196-Y303 WeakPolarHBondContact O-CD1 3.31Å; Y197-Y303 HydrophobicContact CD2-CD1 4.07Å; Y197-Y303 HydrophobicContact CD2-CD2 4.19Å; Y197-Y303 AromaticContact CD2-CE1 3.57Å; Y197-Y303 HydrophobicContact CD2-CE1 3.57Å; Y197-Y303 AromaticContact CD2-CE2 3.68Å; Y197-Y303 HydrophobicContact CD2-CE2 3.68Å; Y197-Y303 HydrophobicContact CD2-CG 4.36Å; Y197-Y303 AromaticContact CD2-CZ 3.35Å; Y197-Y303 HydrophobicContact CE2-CE2 4.01Å; Y197-Y303 AromaticContact CE2-CZ 3.94Å; Y197-Y303 HydrophobicContact CG-CE1 4.1Å; V207-Y303 HydrophobicContact CG2-CD1 4.5Å; V207-Y303 HydrophobicContact CG2-CE1 4.24Å; L298-Y303 HydrophobicContact CD2-CE1 4.05Å; A299-Y303 PolarHBondContact N-OH 2.99Å; A299-Y303 VanDerWaalsContact N-OH 3.08Å; A299-Y303 VanDerWaalsContact O-CE2 3.24Å; A299-Y303 WeakPolarHBondContact O-CE2 3.13Å; A299-Y303 PolarHBondContact O-OH 3.32Å; G301-Y303 WeakPolarHBondContact O-CD2 3.5Å
304	V	97.2	Very high	92.9	Very high	28 Å²	28	34.2 Å²	34.2	17%	0.17	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.6	175.2	-177.6	0	0	0	0	107.8	T113 Y196	T113-V304 HydrophobicContact CG2-CG1 4.43Å; Y196-V304 PolarHBondContact N-O 3.2Å; Y196-V304 PolarHBondContact O-N 2.85Å
305	L	97.9	Very high	93.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	117.6	168.4	-177.5	65.8	0	0	0	107.8	V84 T113 V114 F116 M128 L193 I307 M322	V84-L305 HydrophobicContact CG1-CD2 4.05Å; T113-L305 CarbonylContact C-O 3.51Å; T113-L305 WeakPolarHBondContact CA-O 3.3Å; V114-L305 HydrophobicContact CB-CB 4.48Å; V114-L305 PolarHBondContact N-O 3.31Å; V114-L305 PolarHBondContact O-N 3.5Å; F116-L305 HydrophobicContact CE1-CB 4.05Å; M128-L305 HydrophobicContact CE-CD1 3.89Å; L193-L305 HydrophobicContact CB-CD1 4.23Å; L305-I307 HydrophobicContact CB-CD1 4.21Å; L305-I307 HydrophobicContact CD2-CD1 3.82Å; L305-I307 HydrophobicContact CD2-CG1 3.95Å; L305-I307 HydrophobicContact CG-CD1 3.64Å; L305-I307 HydrophobicContact CG-CG1 3.83Å; L305-I307 WeakPolarHBondContact O-CD1 3.39Å; L305-M322 HydrophobicContact CD1-CE 4.19Å; L305-M322 HydrophobicContact CD1-CG 4.33Å; L305-M322 HydrophobicContact CD2-CB 3.84Å; L305-M322 HydrophobicContact CD2-CE 4.04Å; L305-M322 HydrophobicContact CD2-CG 4.16Å
306	K	97.8	Very high	94.4	Very high	75 Å²	75	35.1 Å²	35.1	33%	0.326	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124	171.2	-177.5	-177.1	176.2	-166.6	0	108.3	V111 T113 E194 Y196	V111-K306 HydrophobicContact CG1-CD 4.5Å; V111-K306 HydrophobicContact CG1-CG 3.86Å; T113-K306 HydrophobicContact CG2-CB 4.37Å; T113-K306 HydrophobicContact CG2-CG 4.28Å; E194-K306 HydrophobicContact CB-CB 4.35Å; E194-K306 PolarHBondContact N-O 3.24Å; E194-K306 PolarHBondContact O-N 2.8Å; E194-K306 IonicContact OE2-NZ 2.81Å; Y196-K306 HydrophobicContact CD2-CB 4.38Å; Y196-K306 HydrophobicContact CE2-CB 4.03Å; Y196-K306 HydrophobicContact CE2-CD 4.23Å
307	I	97.9	Very high	94.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.5	-175.3	-55.7	95.7	0	0	0	108.8	Y86 V111 C112 V114 T192 L193 L305 Y309	Y86-I307 HydrophobicContact CD2-CB 4.46Å; Y86-I307 HydrophobicContact CD2-CG1 4Å; Y86-I307 HydrophobicContact CD2-CG2 3.84Å; Y86-I307 HydrophobicContact CE2-CG1 4.45Å; Y86-I307 HydrophobicContact CE2-CG2 3.72Å; Y86-I307 HydrophobicContact CG-CG1 4.25Å; V111-I307 VanDerWaalsContact CA-O 3.25Å; V111-I307 WeakPolarHBondContact CA-O 3.48Å; V111-I307 WeakPolarHBondContact CG1-O 3.34Å; C112-I307 PolarHBondContact N-O 3.35Å; C112-I307 PolarHBondContact O-N 3.45Å; V114-I307 HydrophobicContact CB-CD1 4.3Å; V114-I307 HydrophobicContact CG2-CD1 3.89Å; T192-I307 WeakPolarHBondContact O-CA 3.18Å; L193-I307 HydrophobicContact CD2-CB 4.32Å; L193-I307 HydrophobicContact CD2-CG1 3.9Å; L193-I307 HydrophobicContact CD2-CG2 3.87Å; L305-I307 HydrophobicContact CB-CD1 4.21Å; L305-I307 HydrophobicContact CD2-CD1 3.82Å; L305-I307 HydrophobicContact CD2-CG1 3.95Å; L305-I307 HydrophobicContact CG-CD1 3.64Å; L305-I307 HydrophobicContact CG-CG1 3.83Å; L305-I307 WeakPolarHBondContact O-CD1 3.39Å; I307-Y309 HydrophobicContact CG2-CD2 4.46Å
308	T	96.1	Very high	94.9	Very high	24 Å²	24	38.5 Å²	38.5	15%	0.147	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	108.1	159	-50.5	0	0	0	0	108.1	P109 V111 D191 T192 N310	P109-T308 HydrophobicContact CB-CG2 3.69Å; V111-T308 HydrophobicContact CG2-CG2 4.49Å; D191-T308 VanDerWaalsContact CA-O 3.29Å; D191-T308 WeakPolarHBondContact CA-O 3.01Å; T192-T308 PolarHBondContact N-O 3.1Å; T192-T308 VanDerWaalsContact N-O 3.09Å; T192-T308 PolarHBondContact O-N 3.2Å; T308-N310 PolarHBondContact O-N 2.88Å
309	Y	94.6	Very high	95	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	98.7	-168.8	-160.7	-67.3	0	0	0	110.4	Y86 T87 C95 C98 A99 C110 I307 K320	Y86-Y309 HydrophobicContact CD2-CD2 4.44Å; Y86-Y309 HydrophobicContact CD2-CE2 4.41Å; T87-Y309 PolarHBondContact O-OH 2.84Å; C95-Y309 HydrophobicContact CB-CD2 4.42Å; C95-Y309 HydrophobicContact CB-CE2 4.34Å; C98-Y309 HydrophobicContact CB-CD1 4.36Å; C98-Y309 HydrophobicContact CB-CD2 4.16Å; C98-Y309 HydrophobicContact CB-CG 3.92Å; A99-Y309 HydrophobicContact CB-CE2 4.45Å; C110-Y309 PolarHBondContact O-N 3.16Å; I307-Y309 HydrophobicContact CG2-CD2 4.46Å; Y309-K320 VanDerWaalsContact CE2-NZ 3.33Å; Y309-K320 WeakPolarHBondContact OH-CE 3.37Å
310	N	93.1	Very high	95.2	Very high	34 Å²	34	41 Å²	41	18%	0.182	22%	0.216	C	C	.	.			trans	-119.6	-17.8	-175.8	-62.4	-36.1	0	0	0	113.4	F102 N190 D191 T308 P312	F102-N310 VanDerWaalsContact CE2-O 3.23Å; F102-N310 WeakPolarHBondContact CE2-O 3.27Å; F102-N310 VanDerWaalsContact CZ-O 3.29Å; F102-N310 WeakPolarHBondContact CZ-O 3.3Å; N190-N310 WeakPolarHBondContact O-CB 3.34Å; N190-N310 PolarHBondContact O-ND2 2.79Å; N190-N310 VanDerWaalsContact OD1-C 3.22Å; N190-N310 WeakPolarHBondContact OD1-CB 3.32Å; N190-N310 PolarHBondContact OD1-O 2.69Å; D191-N310 PolarHBondContact OD1-N 3.27Å; T308-N310 PolarHBondContact O-N 2.88Å; N310-P312 WeakPolarHBondContact O-CD 3.42Å
311	Y	93.9	Very high	95.4	Very high	14 Å²	14	40.5 Å²	40.5	6%	0.055	20%	0.204	C	C	.	.			trans	-101	106.9	-174.3	-160.3	-101.2	0	0	0	111.2	L132 F135 S187 F189 N190 D191 V313 K320	L132-Y311 HydrophobicContact CD1-CE1 3.98Å; L132-Y311 HydrophobicContact CD2-CD1 4.38Å; L132-Y311 HydrophobicContact CD2-CE1 4.38Å; F135-Y311 WeakPolarHBondContact CE2-OH 3.35Å; F135-Y311 VanDerWaalsContact CZ-OH 3.3Å; F135-Y311 WeakPolarHBondContact CZ-OH 3.37Å; S187-Y311 WeakPolarHBondContact O-CE2 3.44Å; S187-Y311 PolarHBondContact O-OH 3.34Å; F189-Y311 AromaticContact CD2-CD1 3.91Å; F189-Y311 HydrophobicContact CD2-CD1 3.91Å; F189-Y311 HydrophobicContact CD2-CD2 4.27Å; F189-Y311 HydrophobicContact CD2-CE1 4.42Å; F189-Y311 AromaticContact CD2-CG 3.82Å; F189-Y311 HydrophobicContact CD2-CG 3.82Å; F189-Y311 HydrophobicContact CE2-CD1 4.36Å; F189-Y311 HydrophobicContact CE2-CG 4.33Å; N190-Y311 WeakPolarHBondContact OD1-CA 3.31Å; N190-Y311 WeakPolarHBondContact OD1-CB 3.43Å; N190-Y311 WeakPolarHBondContact OD1-CD2 3.29Å; N190-Y311 PolarHBondContact OD1-N 3.15Å; D191-Y311 WeakPolarHBondContact OD1-CB 3.37Å; D191-Y311 PolarHBondContact OD1-N 2.85Å; Y311-V313 HydrophobicContact CD1-CG1 3.82Å; Y311-V313 HydrophobicContact CE1-CG1 4.11Å; Y311-K320 HydrophobicContact CD1-CD 4.45Å; Y311-K320 WeakPolarHBondContact O-CE 3.29Å; Y311-K320 PolarHBondContact O-NZ 2.83Å
312	P	92.4	Very high	95.6	Very high	17 Å²	17	39.5 Å²	39.5	11%	0.11	19%	0.194	C	C	.	.			trans	-78.9	133.4	-178.4	30.7	-33.3	0	0	0	111.3	F102 W104 N310 F316	F102-P312 HydrophobicContact CD1-CB 3.6Å; F102-P312 HydrophobicContact CD1-CG 4.02Å; F102-P312 HydrophobicContact CE1-CB 3.6Å; F102-P312 HydrophobicContact CE1-CG 3.47Å; F102-P312 VanDerWaalsContact CE1-CG 3.47Å; F102-P312 HydrophobicContact CG-CB 4.17Å; F102-P312 HydrophobicContact CZ-CB 4.18Å; F102-P312 HydrophobicContact CZ-CG 3.87Å; W104-P312 HydrophobicContact CH2-CG 3.76Å; W104-P312 HydrophobicContact CZ2-CG 3.34Å; N310-P312 WeakPolarHBondContact O-CD 3.42Å; P312-F316 WeakPolarHBondContact O-CE1 3.42Å
313	V	94.3	Very high	95.7	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	17%	0.172	C	C	.	.			trans	-126	-14.4	177.1	-61.3	0	0	0	0	114.3	T87 L132 Y311 S315 F316 D317 G318 K320	T87-V313 HydrophobicContact CG2-CG2 3.7Å; L132-V313 HydrophobicContact CD2-CG1 4.31Å; Y311-V313 HydrophobicContact CD1-CG1 3.82Å; Y311-V313 HydrophobicContact CE1-CG1 4.11Å; V313-S315 VanDerWaalsContact C-N 3.3Å; V313-S315 PolarHBondContact O-N 3.24Å; V313-F316 HydrophobicContact CB-CE2 4.06Å; V313-F316 HydrophobicContact CB-CZ 3.84Å; V313-F316 HydrophobicContact CG1-CE2 4.28Å; V313-F316 HydrophobicContact CG1-CZ 3.83Å; V313-F316 PolarHBondContact O-N 2.99Å; V313-D317 PolarHBondContact O-N 3.36Å; V313-G318 WeakPolarHBondContact CG2-O 3.21Å; V313-G318 PolarHBondContact O-N 3.35Å; V313-K320 HydrophobicContact CB-CG 4.32Å; V313-K320 HydrophobicContact CG1-CD 3.79Å; V313-K320 HydrophobicContact CG1-CG 3.57Å; V313-K320 HydrophobicContact CG2-CD 4.25Å; V313-K320 HydrophobicContact CG2-CG 3.79Å
314	R	90.4	Very high	95.7	Very high	71 Å²	71	34.2 Å²	34.2	27%	0.268	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-66.2	-30.2	-175.3	-75.1	-163.8	175.2	-172.9	10.5	113.8	G88 Y96 A99 N100 F316 D317	G88-R314 PolarHBondContact O-NH2 2.91Å; Y96-R314 VanDerWaalsContact CD2-NH2 3.26Å; A99-R314 VanDerWaalsContact CB-NE 3.27Å; A99-R314 WeakPolarHBondContact O-CD 3.44Å; N100-R314 PolarHBondContact ND2-NH2 3Å; N100-R314 PolarHBondContact OD1-NH1 3.07Å; R314-F316 PolarHBondContact O-N 3.45Å; R314-F316 VanDerWaalsContact O-N 3.09Å; R314-D317 PolarHBondContact O-N 3.37Å
315	S	91.1	Very high	95.7	Very high	109 Å²	109	32.9 Å²	32.9	76%	0.762	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-63.3	-15.7	-179.7	52.9	0	0	0	0	114	V313	V313-S315 VanDerWaalsContact C-N 3.3Å; V313-S315 PolarHBondContact O-N 3.24Å
316	F	93.4	Very high	95.6	Very high	65 Å²	65	33.5 Å²	33.5	29%	0.285	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-131	25.5	177.5	55.4	-95.6	0	0	0	112	N134 F135 P312 V313 R314 G318	N134-F316 PolarHBondContact ND2-O 2.75Å; F135-F316 HydrophobicContact CB-CE2 4.47Å; F135-F316 AromaticContact CD2-CE2 3.93Å; F135-F316 HydrophobicContact CD2-CE2 3.93Å; F135-F316 AromaticContact CD2-CZ 3.79Å; F135-F316 HydrophobicContact CD2-CZ 3.79Å; F135-F316 HydrophobicContact CE2-CZ 4.36Å; P312-F316 WeakPolarHBondContact O-CE1 3.42Å; V313-F316 HydrophobicContact CB-CE2 4.06Å; V313-F316 HydrophobicContact CB-CZ 3.84Å; V313-F316 HydrophobicContact CG1-CE2 4.28Å; V313-F316 HydrophobicContact CG1-CZ 3.83Å; V313-F316 PolarHBondContact O-N 2.99Å; R314-F316 PolarHBondContact O-N 3.45Å; R314-F316 VanDerWaalsContact O-N 3.09Å; F316-G318 PolarHBondContact O-N 3.39Å
317	D	95.4	Very high	95.4	Very high	135 Å²	135	33.3 Å²	33.3	72%	0.722	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	32.3	-179.7	-61.4	-44.2	0	0	0	114.1	V313 R314	V313-D317 PolarHBondContact O-N 3.36Å; R314-D317 PolarHBondContact O-N 3.37Å
318	G	96.4	Very high	95.2	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.021	18%	0.178	C	C	.	.			trans	-79	157.9	175.9	0	0	0	0	0	112.4	S133 V313 F316	S133-G318 VanDerWaalsContact O-CA 3.3Å; S133-G318 WeakPolarHBondContact O-CA 3.35Å; V313-G318 WeakPolarHBondContact CG2-O 3.21Å; V313-G318 PolarHBondContact O-N 3.35Å; F316-G318 PolarHBondContact O-N 3.39Å
319	R	97.6	Very high	95	Very high	87 Å²	87	43.1 Å²	43.1	33%	0.328	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.1	172.5	-49	-72.7	-71.9	-137.2	-5.1	110.6	D85 T87 L132 S133	D85-R319 IonicContact OD1-NH2 3.81Å; D85-R319 IonicContact OD2-CZ 3.16Å; D85-R319 VanDerWaalsContact OD2-CZ 3.28Å; D85-R319 IonicContact OD2-NE 3.59Å; D85-R319 PolarHBondContact OD2-NE 2.96Å; D85-R319 IonicContact OD2-NH2 2.74Å; D85-R319 PolarHBondContact OD2-NH2 2.83Å; T87-R319 WeakPolarHBondContact OG1-CA 3.25Å; L132-R319 WeakPolarHBondContact CA-O 3.45Å; S133-R319 PolarHBondContact N-O 3.32Å; S133-R319 WeakPolarHBondContact OG-CB 3.21Å; S133-R319 WeakPolarHBondContact OG-CG 3.22Å; S133-R319 PolarHBondContact OG-N 3.43Å
320	K	97.5	Very high	94.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.8	174.1	-57.7	-168.4	-65.9	-177.4	0	110.1	Y86 T87 G131 L132 F189 D191 Y309 Y311 V313	Y86-K320 HydrophobicContact CD1-CB 4.45Å; Y86-K320 HydrophobicContact CD2-CB 4.42Å; Y86-K320 HydrophobicContact CE1-CB 3.92Å; Y86-K320 HydrophobicContact CE2-CB 3.88Å; Y86-K320 HydrophobicContact CE2-CD 4.13Å; Y86-K320 PolarHBondContact N-O 2.81Å; T87-K320 PolarHBondContact N-O 2.93Å; T87-K320 PolarHBondContact OG1-N 2.95Å; T87-K320 PolarHBondContact OG1-O 3.23Å; G131-K320 WeakPolarHBondContact O-CA 3.43Å; L132-K320 HydrophobicContact CD2-CB 4.5Å; L132-K320 HydrophobicContact CD2-CD 4.36Å; L132-K320 HydrophobicContact CD2-CG 3.78Å; F189-K320 HydrophobicContact CE2-CD 4.42Å; D191-K320 IonicContact OD1-NZ 2.74Å; D191-K320 PolarHBondContact OD1-NZ 3.15Å; D191-K320 VanDerWaalsContact OD1-NZ 3.16Å; D191-K320 VanDerWaalsContact OD2-CD 3.32Å; D191-K320 WeakPolarHBondContact OD2-CD 3.38Å; D191-K320 WeakPolarHBondContact OD2-CE 3.32Å; D191-K320 IonicContact OD2-NZ 3.35Å; D191-K320 PolarHBondContact OD2-NZ 3.4Å; Y309-K320 VanDerWaalsContact CE2-NZ 3.33Å; Y309-K320 WeakPolarHBondContact OH-CE 3.37Å; Y311-K320 HydrophobicContact CD1-CD 4.45Å; Y311-K320 WeakPolarHBondContact O-CE 3.29Å; Y311-K320 PolarHBondContact O-NZ 2.83Å; V313-K320 HydrophobicContact CB-CG 4.32Å; V313-K320 HydrophobicContact CG1-CD 3.79Å; V313-K320 HydrophobicContact CG1-CG 3.57Å; V313-K320 HydrophobicContact CG2-CD 4.25Å; V313-K320 HydrophobicContact CG2-CG 3.79Å
321	R	98.1	Very high	94.7	Very high	52 Å²	52	45.6 Å²	45.6	20%	0.196	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.3	-179.7	54.2	179.7	167.1	-158.5	1.1	111.3	E83 V84 Y86 Y130 G131 I323	E83-R321 HydrophobicContact CG-CB 4.19Å; E83-R321 WeakPolarHBondContact OE1-CD 3.28Å; E83-R321 IonicContact OE1-CZ 2.65Å; E83-R321 IonicContact OE1-NE 2.75Å; E83-R321 IonicContact OE1-NH1 3.24Å; E83-R321 PolarHBondContact OE1-NH1 2.86Å; E83-R321 IonicContact OE2-NH1 3.31Å; V84-R321 CarbonylContact O-C 3.54Å; V84-R321 WeakPolarHBondContact O-CA 3.2Å; V84-R321 WeakPolarHBondContact O-CB 3.36Å; Y86-R321 VanDerWaalsContact CE1-C 3.47Å; Y130-R321 CarbonylContact C-O 3.54Å; Y130-R321 WeakPolarHBondContact CA-O 3.42Å; G131-R321 PolarHBondContact N-O 3.22Å; G131-R321 WeakPolarHBondContact O-CG 3.31Å; G131-R321 PolarHBondContact O-N 3.04Å; R321-I323 HydrophobicContact CG-CD1 4.33Å; R321-I323 HydrophobicContact CG-CG1 4.39Å
322	M	98.4	Very high	94.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.9	169.5	-175.7	-76.1	-73.1	0	0	107.7	E83 V84 Y86 F116 M128 Y129 L193 L305 L324	E83-M322 WeakPolarHBondContact CA-O 3.34Å; V84-M322 HydrophobicContact CG1-CB 3.95Å; V84-M322 HydrophobicContact CG1-CE 3.69Å; V84-M322 PolarHBondContact N-O 3.5Å; V84-M322 PolarHBondContact O-N 3.18Å; Y86-M322 HydrophobicContact CD1-CB 4.33Å; Y86-M322 HydrophobicContact CE1-CB 4.32Å; F116-M322 HydrophobicContact CE1-CE 3.99Å; F116-M322 HydrophobicContact CZ-CE 3.87Å; M128-M322 HydrophobicContact CE-CG 3.4Å; M128-M322 VanDerWaalsContact CE-CG 3.4Å; M128-M322 HydrophobicContact CE-SD 3.94Å; M128-M322 HydrophobicContact CG-CG 4.19Å; M128-M322 HydrophobicContact CG-SD 4.06Å; Y129-M322 WeakPolarHBondContact O-CA 3.38Å; L193-M322 HydrophobicContact CD1-CB 4.39Å; L193-M322 HydrophobicContact CD1-CG 4.14Å; L305-M322 HydrophobicContact CD1-CE 4.19Å; L305-M322 HydrophobicContact CD1-CG 4.33Å; L305-M322 HydrophobicContact CD2-CB 3.84Å; L305-M322 HydrophobicContact CD2-CE 4.04Å; L305-M322 HydrophobicContact CD2-CG 4.16Å; M322-L324 HydrophobicContact CE-CD1 4.21Å; M322-L324 HydrophobicContact CE-CG 4.05Å; M322-L324 HydrophobicContact SD-CD1 4.43Å; M322-L324 HydrophobicContact SD-CD2 3.82Å; M322-L324 HydrophobicContact SD-CG 3.64Å
323	I	98.4	Very high	94.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.2	-177.8	-55.3	157.3	0	0	0	108.4	E81 Y82 E83 M128 Y129 R282 R321	E81-I323 HydrophobicContact CG-CG2 3.78Å; Y82-I323 CarbonylContact O-C 3.54Å; Y82-I323 WeakPolarHBondContact O-CA 3.3Å; E83-I323 HydrophobicContact CB-CG1 4.21Å; E83-I323 HydrophobicContact CG-CG1 3.89Å; M128-I323 CarbonylContact C-O 3.57Å; M128-I323 WeakPolarHBondContact CA-O 3.28Å; Y129-I323 PolarHBondContact N-O 2.74Å; Y129-I323 PolarHBondContact O-N 3.17Å; R282-I323 HydrophobicContact CB-CD1 3.96Å; R321-I323 HydrophobicContact CG-CD1 4.33Å; R321-I323 HydrophobicContact CG-CG1 4.39Å
324	L	98.1	Very high	94.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.9	167.6	-62.8	174.5	0	0	0	108	E81 Y82 F116 F122 V126 M128 L195 I288 L298 M322	E81-L324 CarbonylContact C-O 3.58Å; E81-L324 VanDerWaalsContact CA-O 3.29Å; E81-L324 WeakPolarHBondContact CA-O 3.41Å; Y82-L324 PolarHBondContact N-O 3.08Å; Y82-L324 PolarHBondContact O-N 2.73Å; F116-L324 HydrophobicContact CE2-CD1 4.35Å; F116-L324 HydrophobicContact CZ-CD1 4.2Å; F122-L324 HydrophobicContact CE1-CB 4.38Å; V126-L324 HydrophobicContact CG1-CB 4.13Å; V126-L324 HydrophobicContact CG1-CD2 4.32Å; M128-L324 HydrophobicContact CB-CD2 3.86Å; M128-L324 HydrophobicContact CG-CD2 3.87Å; L195-L324 HydrophobicContact CD2-CD1 4.27Å; L195-L324 HydrophobicContact CD2-CD2 4.5Å; I288-L324 HydrophobicContact CD1-CD2 4.27Å; L298-L324 HydrophobicContact CD1-CD1 4.07Å; M322-L324 HydrophobicContact CE-CD1 4.21Å; M322-L324 HydrophobicContact CE-CG 4.05Å; M322-L324 HydrophobicContact SD-CD1 4.43Å; M322-L324 HydrophobicContact SD-CD2 3.82Å; M322-L324 HydrophobicContact SD-CG 3.64Å
325	S	97.1	Very high	94.8	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.007	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	138.8	-178.7	-158.2	0	0	0	0	111.1	K80 E81 Y127	K80-S325 WeakPolarHBondContact O-CA 3.4Å; E81-S325 WeakPolarHBondContact OE2-CB 3.46Å; E81-S325 PolarHBondContact OE2-OG 2.8Å; Y127-S325 PolarHBondContact N-O 2.88Å; Y127-S325 PolarHBondContact O-N 2.81Å
326	T	96.1	Very high	95.1	Very high	13 Å²	13	55.1 Å²	55.1	8%	0.08	27%	0.274	C	S	.	.			trans	-78.8	165.3	160.4	61.9	0	0	0	0	109.8	I79 K80 F122 S124	I79-T326 WeakPolarHBondContact CG2-O 3.33Å; K80-T326 HydrophobicContact CB-CG2 4.46Å; K80-T326 PolarHBondContact N-OG1 3.45Å; K80-T326 VanDerWaalsContact N-OG1 3.15Å; K80-T326 PolarHBondContact O-N 3.48Å; F122-T326 HydrophobicContact CB-CG2 4.32Å; F122-T326 HydrophobicContact CD1-CG2 3.56Å; F122-T326 HydrophobicContact CE1-CG2 4.3Å; F122-T326 HydrophobicContact CG-CG2 4.33Å; S124-T326 WeakPolarHBondContact OG-CB 3.29Å; S124-T326 WeakPolarHBondContact OG-CG2 3.45Å
327	I	94.1	Very high	95.2	Very high	70 Å²	70	55.8 Å²	55.8	36%	0.359	28%	0.28	S	S	.	.			trans	-123.5	152	174.1	67.5	176.5	0	0	0	110.2	Y127	Y127-I327 HydrophobicContact CD2-CD1 4.33Å; Y127-I327 HydrophobicContact CD2-CG1 4.21Å; Y127-I327 HydrophobicContact CD2-CG2 3.75Å; Y127-I327 HydrophobicContact CE1-CD1 4.43Å; Y127-I327 HydrophobicContact CE2-CB 4.34Å; Y127-I327 HydrophobicContact CE2-CD1 3.52Å; Y127-I327 HydrophobicContact CE2-CG1 3.56Å; Y127-I327 HydrophobicContact CE2-CG2 3.99Å; Y127-I327 HydrophobicContact CG-CG2 4.38Å; Y127-I327 WeakPolarHBondContact OH-CD1 3.48Å
328	S	92.9	Very high	95.3	Very high	27 Å²	27	49.4 Å²	49.4	19%	0.189	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-102.7	-179.8	164.1	72.4	0	0	0	0	109.8	M330 G331	S328-M330 PolarHBondContact O-N 3.5Å; S328-M330 VanDerWaalsContact O-N 3.12Å; S328-M330 PolarHBondContact OG-N 3.19Å; S328-G331 PolarHBondContact N-O 2.94Å; S328-G331 PolarHBondContact O-N 2.87Å; S328-G331 PolarHBondContact OG-O 3.01Å
329	W	92.1	Very high	95.3	Very high	203 Å²	203	53.1 Å²	53.1	77%	0.769	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.9	171.8	67.8	-90.8	0	0	0	113.4	L72	L72-W329 HydrophobicContact CD2-CH2 4.19Å; L72-W329 HydrophobicContact CD2-CZ2 4.15Å
330	M	89.6	Confident	95.4	Very high	61 Å²	61	50.4 Å²	50.4	30%	0.3	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	0.8	176.9	-58.2	173.4	53.8	0	0	113.5	L72 T75 S328 L337	L72-M330 HydrophobicContact CB-CE 4.07Å; L72-M330 HydrophobicContact CB-SD 4.38Å; L72-M330 HydrophobicContact CD2-CE 3.42Å; L72-M330 VanDerWaalsContact CD2-CE 3.42Å; L72-M330 HydrophobicContact CD2-SD 3.33Å; L72-M330 WeakPolarHBondContact CD2-SD 3.4Å; L72-M330 HydrophobicContact CG-CE 4.17Å; L72-M330 HydrophobicContact CG-SD 4.4Å; T75-M330 HydrophobicContact CG2-SD 4.34Å; S328-M330 PolarHBondContact O-N 3.5Å; S328-M330 VanDerWaalsContact O-N 3.12Å; S328-M330 PolarHBondContact OG-N 3.19Å; M330-L337 HydrophobicContact CE-CD2 3.9Å
331	G	91.3	Very high	95.4	Very high	29 Å²	29	54.2 Å²	54.2	30%	0.299	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	96.2	-148.4	-172.2	0	0	0	0	0	112.9	I79 S328	I79-G331 WeakPolarHBondContact CD1-O 3.36Å; S328-G331 PolarHBondContact N-O 2.94Å; S328-G331 PolarHBondContact O-N 2.87Å; S328-G331 PolarHBondContact OG-O 3.01Å
332	G	90.9	Very high	95.4	Very high	37 Å²	37	54 Å²	54	38%	0.381	28%	0.279	S	S	.	.	S	Bend	trans	-79.2	-177.6	-175.3	0	0	0	0	0	114.3	I79 N334	I79-G332 VanDerWaalsContact CD1-C 3.41Å; I79-G332 WeakPolarHBondContact CD1-O 3.25Å; G332-N334 PolarHBondContact O-N 3.41Å; G332-N334 VanDerWaalsContact O-N 3.15Å
333	K	92.9	Very high	95.4	Very high	91 Å²	91	57.2 Å²	57.2	40%	0.396	30%	0.299	S	S	.	.	S	Bend	trans	-65.1	110.8	-178.6	-173.3	171.1	-175.2	174.5	0	111.5	I79 E81	I79-K333 HydrophobicContact CB-CB 4.11Å; I79-K333 HydrophobicContact CG2-CB 3.89Å; E81-K333 HydrophobicContact CB-CD 4.26Å
334	N	94.7	Very high	95.4	Very high	99 Å²	99	60.7 Å²	60.7	53%	0.529	32%	0.319	S	S	.	.			trans	-153.5	97.2	172.6	-173.8	-4.2	0	0	0	111.2	S76 G332 F336	S76-N334 WeakPolarHBondContact OG-CA 3.38Å; S76-N334 PolarHBondContact OG-N 3.31Å; S76-N334 PolarHBondContact OG-O 3.19Å; G332-N334 PolarHBondContact O-N 3.41Å; G332-N334 VanDerWaalsContact O-N 3.15Å; N334-F336 PolarHBondContact O-N 3.33Å; N334-F336 WeakPolarHBondContact OD1-CB 3.28Å; N334-F336 PolarHBondContact OD1-N 2.9Å; N334-F336 VanDerWaalsContact OD1-N 3.14Å
335	P	95.2	Very high	95.4	Very high	41 Å²	41	60.7 Å²	60.7	27%	0.266	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.8	-176.7	31.1	-35.4	0	0	0	113.4	Y73 S76 L337 G338 I339	Y73-P335 HydrophobicContact CD2-CB 3.87Å; Y73-P335 HydrophobicContact CE2-CB 3.91Å; S76-P335 VanDerWaalsContact OG-N 3.17Å; P335-L337 VanDerWaalsContact C-N 3.32Å; P335-L337 PolarHBondContact O-N 2.87Å; P335-G338 PolarHBondContact O-N 3.34Å; P335-G338 VanDerWaalsContact O-N 3.16Å; P335-I339 HydrophobicContact CB-CD1 4.16Å; P335-I339 HydrophobicContact CG-CD1 4.47Å; P335-I339 WeakPolarHBondContact O-CG1 3.24Å; P335-I339 PolarHBondContact O-N 2.91Å
336	F	96.8	Very high	95.4	Very high	145 Å²	145	63.2 Å²	63.2	64%	0.636	34%	0.337	S	S	*	.	H	α-helix	trans	-55.8	-44	-173.6	175.9	-99.6	0	0	0	112.8	N334 G338 I339 A340	N334-F336 PolarHBondContact O-N 3.33Å; N334-F336 WeakPolarHBondContact OD1-CB 3.28Å; N334-F336 PolarHBondContact OD1-N 2.9Å; N334-F336 VanDerWaalsContact OD1-N 3.14Å; F336-G338 PolarHBondContact O-N 3.49Å; F336-I339 PolarHBondContact O-N 3.45Å; F336-A340 WeakPolarHBondContact O-CB 3.34Å; F336-A340 PolarHBondContact O-N 2.9Å
337	L	95.6	Very high	95.5	Very high	78 Å²	78	67 Å²	67	41%	0.408	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-44.3	-179	-168.4	69.1	0	0	0	111.2	L72 M330 P335 A340 Y341	L72-L337 HydrophobicContact CD1-CD2 4.01Å; L72-L337 HydrophobicContact CD1-CG 4.05Å; M330-L337 HydrophobicContact CE-CD2 3.9Å; P335-L337 VanDerWaalsContact C-N 3.32Å; P335-L337 PolarHBondContact O-N 2.87Å; L337-A340 PolarHBondContact O-N 3.46Å; L337-Y341 HydrophobicContact CD1-CD2 4.18Å; L337-Y341 HydrophobicContact CD1-CE2 3.84Å; L337-Y341 HydrophobicContact CG-CD2 4.15Å; L337-Y341 HydrophobicContact CG-CE2 4.06Å; L337-Y341 VanDerWaalsContact O-CD2 3.28Å; L337-Y341 WeakPolarHBondContact O-CD2 3.25Å; L337-Y341 PolarHBondContact O-N 3.43Å
338	G	97	Very high	95.6	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-61.5	-45.9	175.8	0	0	0	0	0	112.3	G69 P335 F336 A340 Y341 I342	G69-G338 VanDerWaalsContact O-CA 3.31Å; G69-G338 WeakPolarHBondContact O-CA 3.32Å; P335-G338 PolarHBondContact O-N 3.34Å; P335-G338 VanDerWaalsContact O-N 3.16Å; F336-G338 PolarHBondContact O-N 3.49Å; G338-A340 PolarHBondContact O-N 2.94Å; G338-Y341 PolarHBondContact O-N 3.3Å; G338-I342 VanDerWaalsContact O-CG1 3.3Å; G338-I342 WeakPolarHBondContact O-CG1 3.45Å; G338-I342 PolarHBondContact O-N 2.98Å
339	I	97.8	Very high	95.8	Very high	80 Å²	80	66.9 Å²	66.9	41%	0.41	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-47.1	176.2	-64.8	166.1	0	0	0	110.5	Y73 P335 F336 Y341 I342 T343	Y73-I339 HydrophobicContact CD2-CG1 4.01Å; Y73-I339 HydrophobicContact CE2-CD1 4.33Å; Y73-I339 HydrophobicContact CE2-CG1 4.11Å; P335-I339 HydrophobicContact CB-CD1 4.16Å; P335-I339 HydrophobicContact CG-CD1 4.47Å; P335-I339 WeakPolarHBondContact O-CG1 3.24Å; P335-I339 PolarHBondContact O-N 2.91Å; F336-I339 PolarHBondContact O-N 3.45Å; I339-Y341 PolarHBondContact O-N 3.49Å; I339-I342 PolarHBondContact O-N 3.48Å; I339-T343 WeakPolarHBondContact O-CB 2.96Å; I339-T343 PolarHBondContact O-N 3.34Å; I339-T343 PolarHBondContact O-OG1 2.85Å
340	A	98.1	Very high	96	Very high	31 Å²	31	63.6 Å²	63.6	26%	0.256	34%	0.343	S	S	.	.	H	α-helix	trans	-59.7	-44.3	-179.8	0	0	0	0	0	112.3	F336 L337 G338 T343 V344	F336-A340 WeakPolarHBondContact O-CB 3.34Å; F336-A340 PolarHBondContact O-N 2.9Å; L337-A340 PolarHBondContact O-N 3.46Å; G338-A340 PolarHBondContact O-N 2.94Å; A340-T343 PolarHBondContact O-N 3.36Å; A340-V344 WeakPolarHBondContact O-CB 3.09Å; A340-V344 VanDerWaalsContact O-CG2 3.31Å; A340-V344 WeakPolarHBondContact O-CG2 3.36Å; A340-V344 PolarHBondContact O-N 2.84Å
341	Y	98.1	Very high	96.2	Very high	80 Å²	80	64.1 Å²	64.1	31%	0.314	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-43.4	176.1	-91	-102.6	0	0	0	112.3	F65 I68 L72 L337 G338 I339 G345	F65-Y341 HydrophobicContact CB-CD1 4.11Å; F65-Y341 HydrophobicContact CD1-CD1 4.17Å; F65-Y341 HydrophobicContact CD1-CE1 4.18Å; F65-Y341 HydrophobicContact CD2-CD1 4.13Å; F65-Y341 HydrophobicContact CD2-CE1 4.45Å; F65-Y341 HydrophobicContact CE1-CE1 4.25Å; F65-Y341 AromaticContact CG-CD1 3.89Å; F65-Y341 HydrophobicContact CG-CD1 3.89Å; F65-Y341 HydrophobicContact CG-CE1 4.28Å; F65-Y341 HydrophobicContact CZ-CE1 4.41Å; I68-Y341 HydrophobicContact CB-CD1 4.4Å; I68-Y341 HydrophobicContact CG2-CD1 3.91Å; I68-Y341 HydrophobicContact CG2-CE1 4.03Å; L72-Y341 HydrophobicContact CD1-CD2 4.05Å; L72-Y341 HydrophobicContact CD1-CE2 4.28Å; L72-Y341 HydrophobicContact CD1-CG 4.31Å; L337-Y341 HydrophobicContact CD1-CD2 4.18Å; L337-Y341 HydrophobicContact CD1-CE2 3.84Å; L337-Y341 HydrophobicContact CG-CD2 4.15Å; L337-Y341 HydrophobicContact CG-CE2 4.06Å; L337-Y341 VanDerWaalsContact O-CD2 3.28Å; L337-Y341 WeakPolarHBondContact O-CD2 3.25Å; L337-Y341 PolarHBondContact O-N 3.43Å; G338-Y341 PolarHBondContact O-N 3.3Å; I339-Y341 PolarHBondContact O-N 3.49Å; Y341-G345 WeakPolarHBondContact O-CA 3.16Å; Y341-G345 PolarHBondContact O-N 3.04Å
342	I	98.3	Very high	96.4	Very high	47 Å²	47	62.7 Å²	62.7	24%	0.241	33%	0.333	C	S	.	.	H	α-helix	trans	-63	-46.6	176.5	-65.7	166.2	0	0	0	110.2	I70 G338 I339 G345 S346	I70-I342 HydrophobicContact CG1-CD1 4.02Å; I70-I342 HydrophobicContact CG1-CG1 4.27Å; G338-I342 VanDerWaalsContact O-CG1 3.3Å; G338-I342 WeakPolarHBondContact O-CG1 3.45Å; G338-I342 PolarHBondContact O-N 2.98Å; I339-I342 PolarHBondContact O-N 3.48Å; I342-G345 PolarHBondContact O-N 2.86Å; I342-S346 VanDerWaalsContact O-CB 3.25Å; I342-S346 WeakPolarHBondContact O-CB 3.46Å; I342-S346 PolarHBondContact O-N 3.09Å; I342-S346 PolarHBondContact O-OG 3.42Å
343	T	98.2	Very high	96.5	Very high	68 Å²	68	63.4 Å²	63.4	42%	0.417	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-51.8	-179.1	-58.5	0	0	0	0	111.4	I339 A340 G345 S346 I347	I339-T343 WeakPolarHBondContact O-CB 2.96Å; I339-T343 PolarHBondContact O-N 3.34Å; I339-T343 PolarHBondContact O-OG1 2.85Å; A340-T343 PolarHBondContact O-N 3.36Å; T343-G345 PolarHBondContact O-N 2.94Å; T343-S346 PolarHBondContact O-N 2.68Å; T343-I347 HydrophobicContact CG2-CD1 3.85Å; T343-I347 VanDerWaalsContact O-CG1 3.29Å; T343-I347 WeakPolarHBondContact O-CG1 3.36Å; T343-I347 PolarHBondContact O-N 3.34Å
344	V	98.1	Very high	96.5	Very high	72 Å²	72	61.5 Å²	61.5	44%	0.436	33%	0.325	S	S	.	.	H	α-helix	trans	-63.1	-43.7	178.8	173.7	0	0	0	0	110.7	F65 A340 S346 I347 C348	F65-V344 HydrophobicContact CD2-CG1 4.15Å; F65-V344 HydrophobicContact CE2-CG1 4.3Å; A340-V344 WeakPolarHBondContact O-CB 3.09Å; A340-V344 VanDerWaalsContact O-CG2 3.31Å; A340-V344 WeakPolarHBondContact O-CG2 3.36Å; A340-V344 PolarHBondContact O-N 2.84Å; V344-S346 VanDerWaalsContact C-N 3.34Å; V344-S346 PolarHBondContact O-N 3.23Å; V344-I347 PolarHBondContact O-N 3.43Å; V344-C348 WeakPolarHBondContact O-CB 3.47Å; V344-C348 PolarHBondContact O-N 3.45Å; V344-C348 PolarHBondContact O-SG 2.97Å; V344-C348 VanDerWaalsContact O-SG 3.35Å
345	G	98.1	Very high	96.4	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-42.5	176.5	0	0	0	0	0	112.8	G62 Y341 I342 T343 C348 F349	G62-G345 WeakPolarHBondContact CA-O 3.44Å; Y341-G345 WeakPolarHBondContact O-CA 3.16Å; Y341-G345 PolarHBondContact O-N 3.04Å; I342-G345 PolarHBondContact O-N 2.86Å; T343-G345 PolarHBondContact O-N 2.94Å; G345-C348 PolarHBondContact O-N 3.17Å; G345-F349 WeakPolarHBondContact O-CB 3.24Å; G345-F349 PolarHBondContact O-N 2.91Å
346	S	97.9	Very high	96.3	Very high	54 Å²	54	62.3 Å²	62.3	38%	0.378	33%	0.326	S	S	.	.	H	α-helix	trans	-67.4	-42.1	178.2	-57.5	0	0	0	0	112.1	I342 T343 V344 F349 F350	I342-S346 VanDerWaalsContact O-CB 3.25Å; I342-S346 WeakPolarHBondContact O-CB 3.46Å; I342-S346 PolarHBondContact O-N 3.09Å; I342-S346 PolarHBondContact O-OG 3.42Å; T343-S346 PolarHBondContact O-N 2.68Å; V344-S346 VanDerWaalsContact C-N 3.34Å; V344-S346 PolarHBondContact O-N 3.23Å; S346-F349 PolarHBondContact O-N 2.91Å; S346-F350 WeakPolarHBondContact O-CB 3.33Å; S346-F350 PolarHBondContact O-N 2.96Å
347	I	97.8	Very high	96	Very high	92 Å²	92	60.6 Å²	60.6	47%	0.472	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-46.1	175.5	-68.3	167.7	0	0	0	110.3	T343 V344 F349 F350 L351	T343-I347 HydrophobicContact CG2-CD1 3.85Å; T343-I347 VanDerWaalsContact O-CG1 3.29Å; T343-I347 WeakPolarHBondContact O-CG1 3.36Å; T343-I347 PolarHBondContact O-N 3.34Å; V344-I347 PolarHBondContact O-N 3.43Å; I347-F349 PolarHBondContact O-N 2.88Å; I347-F350 PolarHBondContact O-N 3.14Å; I347-L351 HydrophobicContact CG2-CD1 3.84Å; I347-L351 HydrophobicContact CG2-CG 4.26Å; I347-L351 WeakPolarHBondContact O-CB 3.5Å; I347-L351 VanDerWaalsContact O-CG 3.3Å; I347-L351 WeakPolarHBondContact O-CG 3.29Å; I347-L351 PolarHBondContact O-N 2.96Å
348	C	96.6	Very high	95.7	Very high	21 Å²	21	60.5 Å²	60.5	14%	0.142	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-44.1	177.2	-76.2	0	0	0	0	112.1	F58 I61 V344 G345 G352	F58-C348 HydrophobicContact CD1-CB 4.1Å; I61-C348 HydrophobicContact CG2-CB 4.32Å; V344-C348 WeakPolarHBondContact O-CB 3.47Å; V344-C348 PolarHBondContact O-N 3.45Å; V344-C348 PolarHBondContact O-SG 2.97Å; V344-C348 VanDerWaalsContact O-SG 3.35Å; G345-C348 PolarHBondContact O-N 3.17Å; C348-G352 PolarHBondContact O-N 2.85Å
349	F	96.1	Very high	95.3	Very high	75 Å²	75	63.3 Å²	63.3	33%	0.329	33%	0.334	S	S	.	.	H	α-helix	trans	-63.8	-46.2	177.4	-170.4	-87.8	0	0	0	111.5	F59 L63 G345 S346 I347 G352 V353	F59-F349 AromaticContact CD1-CD2 3.78Å; F59-F349 HydrophobicContact CD1-CD2 3.78Å; F59-F349 AromaticContact CD1-CE2 3.61Å; F59-F349 HydrophobicContact CD1-CE2 3.61Å; F59-F349 HydrophobicContact CD1-CZ 4.22Å; F59-F349 HydrophobicContact CE1-CD2 4.27Å; F59-F349 AromaticContact CE1-CE2 3.98Å; F59-F349 HydrophobicContact CE1-CE2 3.98Å; F59-F349 HydrophobicContact CE1-CZ 4.13Å; L63-F349 HydrophobicContact CD2-CD2 4.42Å; L63-F349 HydrophobicContact CD2-CE2 4.03Å; L63-F349 HydrophobicContact CG-CD2 4.44Å; L63-F349 HydrophobicContact CG-CE2 4.28Å; G345-F349 WeakPolarHBondContact O-CB 3.24Å; G345-F349 PolarHBondContact O-N 2.91Å; S346-F349 PolarHBondContact O-N 2.91Å; I347-F349 PolarHBondContact O-N 2.88Å; F349-G352 PolarHBondContact O-N 2.96Å; F349-V353 HydrophobicContact CD1-CG2 4.19Å; F349-V353 HydrophobicContact CE1-CG2 3.91Å; F349-V353 WeakPolarHBondContact O-CG2 3.35Å; F349-V353 PolarHBondContact O-N 2.84Å
350	F	96.6	Very high	94.8	Very high	133 Å²	133	66.3 Å²	66.3	58%	0.583	35%	0.347	S	S	*	.	H	α-helix	trans	-60.5	-47.1	177.1	176.1	-101.3	0	0	0	112.2	S346 I347 G352 V353 V354	S346-F350 WeakPolarHBondContact O-CB 3.33Å; S346-F350 PolarHBondContact O-N 2.96Å; I347-F350 PolarHBondContact O-N 3.14Å; F350-G352 VanDerWaalsContact C-N 3.28Å; F350-G352 PolarHBondContact O-N 2.84Å; F350-V353 PolarHBondContact O-N 3.29Å; F350-V353 VanDerWaalsContact O-N 3.16Å; F350-V354 HydrophobicContact CD1-CG2 4.3Å; F350-V354 HydrophobicContact CE1-CG2 3.84Å; F350-V354 HydrophobicContact CE2-CG2 4.18Å; F350-V354 HydrophobicContact CZ-CG2 3.77Å; F350-V354 WeakPolarHBondContact O-CG2 2.88Å; F350-V354 PolarHBondContact O-N 3.12Å
351	L	94.8	Very high	94.3	Very high	72 Å²	72	71.7 Å²	71.7	38%	0.377	36%	0.364	S	S	.	.	H	α-helix	trans	-61.4	-38.3	175.2	-71.4	175.4	0	0	0	111.6	F58 I347 V353 V354 L355	F58-L351 HydrophobicContact CD1-CB 4.47Å; F58-L351 HydrophobicContact CE1-CB 4.39Å; F58-L351 HydrophobicContact CE1-CD1 4.46Å; I347-L351 HydrophobicContact CG2-CD1 3.84Å; I347-L351 HydrophobicContact CG2-CG 4.26Å; I347-L351 WeakPolarHBondContact O-CB 3.5Å; I347-L351 VanDerWaalsContact O-CG 3.3Å; I347-L351 WeakPolarHBondContact O-CG 3.29Å; I347-L351 PolarHBondContact O-N 2.96Å; L351-V353 PolarHBondContact O-N 3.48Å; L351-V354 PolarHBondContact O-N 2.77Å; L351-L355 WeakPolarHBondContact O-CB 3.24Å; L351-L355 VanDerWaalsContact O-CG 3.29Å; L351-L355 WeakPolarHBondContact O-CG 3.34Å; L351-L355 PolarHBondContact O-N 3.38Å
352	G	94.3	Very high	93.5	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-56.9	-46.6	172.1	0	0	0	0	0	112.4	L55 C348 F349 F350 L355 L356	L55-G352 VanDerWaalsContact CD2-O 3.28Å; L55-G352 WeakPolarHBondContact CD2-O 3.5Å; C348-G352 PolarHBondContact O-N 2.85Å; F349-G352 PolarHBondContact O-N 2.96Å; F350-G352 VanDerWaalsContact C-N 3.28Å; F350-G352 PolarHBondContact O-N 2.84Å; G352-L355 PolarHBondContact O-N 3.34Å; G352-L356 WeakPolarHBondContact O-CB 3.31Å; G352-L356 PolarHBondContact O-N 2.84Å
353	V	94.5	Very high	92	Very high	52 Å²	52	76.2 Å²	76.2	32%	0.315	39%	0.385	S	S	.	.	H	α-helix	trans	-63.1	-45.8	176	174.9	0	0	0	0	111.7	F59 F349 F350 L351 L356 I357	F59-V353 HydrophobicContact CE1-CG2 3.86Å; F59-V353 HydrophobicContact CZ-CG2 4.1Å; F349-V353 HydrophobicContact CD1-CG2 4.19Å; F349-V353 HydrophobicContact CE1-CG2 3.91Å; F349-V353 WeakPolarHBondContact O-CG2 3.35Å; F349-V353 PolarHBondContact O-N 2.84Å; F350-V353 PolarHBondContact O-N 3.29Å; F350-V353 VanDerWaalsContact O-N 3.16Å; L351-V353 PolarHBondContact O-N 3.48Å; V353-L356 WeakPolarHBondContact O-CB 3.37Å; V353-L356 PolarHBondContact O-N 3.21Å; V353-I357 HydrophobicContact CG1-CD1 4Å; V353-I357 WeakPolarHBondContact O-CG1 3.49Å; V353-I357 PolarHBondContact O-N 3.19Å
354	V	93	Very high	89.9	Confident	50 Å²	50	77.3 Å²	77.3	30%	0.303	39%	0.392	S	S	.	.	H	α-helix	trans	-61.8	-46.7	178.9	172.1	0	0	0	0	111.1	F350 L351 L356 I357 I358	F350-V354 HydrophobicContact CD1-CG2 4.3Å; F350-V354 HydrophobicContact CE1-CG2 3.84Å; F350-V354 HydrophobicContact CE2-CG2 4.18Å; F350-V354 HydrophobicContact CZ-CG2 3.77Å; F350-V354 WeakPolarHBondContact O-CG2 2.88Å; F350-V354 PolarHBondContact O-N 3.12Å; L351-V354 PolarHBondContact O-N 2.77Å; V354-L356 VanDerWaalsContact C-N 3.28Å; V354-L356 PolarHBondContact O-N 3.42Å; V354-I357 PolarHBondContact O-N 3.28Å; V354-I358 HydrophobicContact CG1-CD1 3.8Å; V354-I358 HydrophobicContact CG1-CG1 4.47Å; V354-I358 VanDerWaalsContact O-CG1 3.32Å; V354-I358 WeakPolarHBondContact O-CG1 3.32Å; V354-I358 PolarHBondContact O-N 2.84Å
355	L	91.3	Very high	87.7	Confident	68 Å²	68	83.3 Å²	83.3	36%	0.356	41%	0.407	S	S	.	.	H	α-helix	trans	-64.3	-33.7	177.6	-71.6	174.4	0	0	0	112	L55 F58 L351 G352 I358 H359	L55-L355 HydrophobicContact CD2-CB 4.28Å; L55-L355 HydrophobicContact CG-CB 4.35Å; F58-L355 HydrophobicContact CD2-CD1 4.13Å; F58-L355 HydrophobicContact CE2-CD1 3.82Å; F58-L355 HydrophobicContact CZ-CD1 4.45Å; L351-L355 WeakPolarHBondContact O-CB 3.24Å; L351-L355 VanDerWaalsContact O-CG 3.29Å; L351-L355 WeakPolarHBondContact O-CG 3.34Å; L351-L355 PolarHBondContact O-N 3.38Å; G352-L355 PolarHBondContact O-N 3.34Å; L355-I358 PolarHBondContact O-N 3.17Å; L355-H359 WeakPolarHBondContact O-CB 3.45Å; L355-H359 PolarHBondContact O-N 3.25Å
356	L	92.6	Very high	85.4	Confident	90 Å²	90	87.6 Å²	87.6	47%	0.471	44%	0.437	S	S	.	.	H	α-helix	trans	-64.2	-45.8	175.9	-172.9	82	0	0	0	110.5	L55 G352 V353 V354 H359 H360	L55-L356 HydrophobicContact CD2-CB 3.67Å; L55-L356 HydrophobicContact CD2-CD1 3.87Å; L55-L356 HydrophobicContact CD2-CG 4.41Å; G352-L356 WeakPolarHBondContact O-CB 3.31Å; G352-L356 PolarHBondContact O-N 2.84Å; V353-L356 WeakPolarHBondContact O-CB 3.37Å; V353-L356 PolarHBondContact O-N 3.21Å; V354-L356 VanDerWaalsContact C-N 3.28Å; V354-L356 PolarHBondContact O-N 3.42Å; L356-H359 PolarHBondContact O-N 3.27Å; L356-H360 WeakPolarHBondContact O-CB 3.45Å; L356-H360 PolarHBondContact O-N 3.16Å
357	I	91.3	Very high	83	Confident	108 Å²	108	91.7 Å²	91.7	55%	0.554	46%	0.455	S	S	*	.	H	α-helix	trans	-62.5	-46.3	177.5	-66	165.1	0	0	0	110.4	V353 V354 H360 K361	V353-I357 HydrophobicContact CG1-CD1 4Å; V353-I357 WeakPolarHBondContact O-CG1 3.49Å; V353-I357 PolarHBondContact O-N 3.19Å; V354-I357 PolarHBondContact O-N 3.28Å; I357-H360 PolarHBondContact O-N 3.39Å; I357-K361 WeakPolarHBondContact O-CB 3.41Å; I357-K361 PolarHBondContact O-N 3.3Å
358	I	89.6	Confident	80.6	Confident	77 Å²	77	92.1 Å²	92.1	40%	0.395	47%	0.465	S	S	.	.	H	α-helix	trans	-61.2	-48.8	177.3	-69.6	171.3	0	0	0	110	V354 L355 H360 K361 Y362	V354-I358 HydrophobicContact CG1-CD1 3.8Å; V354-I358 HydrophobicContact CG1-CG1 4.47Å; V354-I358 VanDerWaalsContact O-CG1 3.32Å; V354-I358 WeakPolarHBondContact O-CG1 3.32Å; V354-I358 PolarHBondContact O-N 2.84Å; L355-I358 PolarHBondContact O-N 3.17Å; I358-H360 PolarHBondContact O-N 3.02Å; I358-K361 PolarHBondContact O-N 3.42Å; I358-K361 VanDerWaalsContact O-N 3.16Å; I358-Y362 HydrophobicContact CG2-CD2 3.69Å; I358-Y362 HydrophobicContact CG2-CE2 3.94Å; I358-Y362 VanDerWaalsContact O-CD2 3.24Å; I358-Y362 WeakPolarHBondContact O-CD2 3.33Å; I358-Y362 PolarHBondContact O-N 3.46Å
359	H	88	Confident	78.1	Confident	59 Å²	59	94.8 Å²	94.8	27%	0.273	49%	0.489	S	S	.	.	H	α-helix	trans	-54.8	-53	178.8	-174.7	-97.2	0	0	0	110.5	A51 L55 L355 L356 K361 Y362 D363	A51-H359 WeakPolarHBondContact CB-CD2 3.3Å; L55-H359 HydrophobicContact CD1-CB 4.02Å; L355-H359 WeakPolarHBondContact O-CB 3.45Å; L355-H359 PolarHBondContact O-N 3.25Å; L356-H359 PolarHBondContact O-N 3.27Å; H359-K361 VanDerWaalsContact C-N 3.28Å; H359-K361 PolarHBondContact O-N 3.39Å; H359-Y362 PolarHBondContact O-N 2.96Å; H359-Y362 VanDerWaalsContact O-N 3.17Å; H359-D363 IonicContact CE1-OD2 3.01Å; H359-D363 PolarHBondContact CE1-OD2 3.27Å; H359-D363 IonicContact ND1-OD2 3.57Å; H359-D363 IonicContact NE2-OD2 3.78Å; H359-D363 WeakPolarHBondContact O-CB 3.24Å; H359-D363 PolarHBondContact O-N 3.47Å
360	H	88.3	Confident	75.5	Confident	144 Å²	144	98.2 Å²	98.2	67%	0.667	51%	0.511	S	S	*	.	H	α-helix	trans	-61.1	-35	179.8	-165.2	-91	0	0	0	113.3	L356 I357 I358 T364	L356-H360 WeakPolarHBondContact O-CB 3.45Å; L356-H360 PolarHBondContact O-N 3.16Å; I357-H360 PolarHBondContact O-N 3.39Å; I358-H360 PolarHBondContact O-N 3.02Å; H360-T364 PolarHBondContact O-OG1 3.01Å
361	K	88	Confident	73	Confident	143 Å²	143	99.1 Å²	99.1	62%	0.622	52%	0.52	S	S	*	.	H	α-helix	trans	-70.8	-32.4	177.8	-174.1	178.3	177.7	179.8	0	113.3	I357 I358 H359 T364	I357-K361 WeakPolarHBondContact O-CB 3.41Å; I357-K361 PolarHBondContact O-N 3.3Å; I358-K361 PolarHBondContact O-N 3.42Å; I358-K361 VanDerWaalsContact O-N 3.16Å; H359-K361 VanDerWaalsContact C-N 3.28Å; H359-K361 PolarHBondContact O-N 3.39Å; K361-T364 PolarHBondContact O-OG1 2.81Å
362	Y	79.6	Confident	70.6	Confident	132 Å²	132	101.3 Å²	101.3	52%	0.518	54%	0.539	S	S	.	.	H	α-helix	trans	-102	-18.4	-176.3	-70.1	-74.8	0	0	0	114	I358 H359 T364 R365	I358-Y362 HydrophobicContact CG2-CD2 3.69Å; I358-Y362 HydrophobicContact CG2-CE2 3.94Å; I358-Y362 VanDerWaalsContact O-CD2 3.24Å; I358-Y362 WeakPolarHBondContact O-CD2 3.33Å; I358-Y362 PolarHBondContact O-N 3.46Å; H359-Y362 PolarHBondContact O-N 2.96Å; H359-Y362 VanDerWaalsContact O-N 3.17Å; Y362-T364 PolarHBondContact O-N 3.41Å; Y362-R365 PolarHBondContact O-N 2.96Å
363	D	66.9	Low	68.1	Low	91 Å²	91	112.8 Å²	112.8	49%	0.487	60%	0.6	S	S	.	*	H	α-helix	trans	-61.3	-36.5	173	-128.7	-3.8	0	0	0	111.4	H359 R365 S366	H359-D363 IonicContact CE1-OD2 3.01Å; H359-D363 PolarHBondContact CE1-OD2 3.27Å; H359-D363 IonicContact ND1-OD2 3.57Å; H359-D363 IonicContact NE2-OD2 3.78Å; H359-D363 WeakPolarHBondContact O-CB 3.24Å; H359-D363 PolarHBondContact O-N 3.47Å; D363-R365 PolarHBondContact O-N 3.05Å; D363-S366 PolarHBondContact O-N 3.25Å
364	T	55.2	Low	66.8	Low	91 Å²	91	115.8 Å²	115.8	56%	0.558	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-15	178.8	29.8	0	0	0	0	113.9	H360 K361 Y362	H360-T364 PolarHBondContact O-OG1 3.01Å; K361-T364 PolarHBondContact O-OG1 2.81Å; Y362-T364 PolarHBondContact O-N 3.41Å
365	R	51.9	Low	65.4	Low	198 Å²	198	119.3 Å²	119.3	75%	0.747	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-18.7	178.8	-119	178.5	175.1	-176.2	-2.3	113.6	Y362 D363	Y362-R365 PolarHBondContact O-N 2.96Å; D363-R365 PolarHBondContact O-N 3.05Å
366	S	49.5	Very low	64	Low	89 Å²	89	122.1 Å²	122.1	62%	0.622	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-24.6	-179.9	-174.1	0	0	0	0	113.5	D363	D363-S366 PolarHBondContact O-N 3.25Å
367	N	47.7	Very low	62.3	Low	141 Å²	141	124 Å²	124	75%	0.754	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	1.8	-177.2	-73.5	-15.5	0	0	0	113.9
368	S	46.2	Very low	60.5	Low	100 Å²	100	125 Å²	125	70%	0.699	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	7.1	178.8	-55.3	0	0	0	0	114	D370	S368-D370 VanDerWaalsContact C-N 3.33Å; S368-D370 PolarHBondContact O-N 2.96Å
369	A	44.9	Very low	58.6	Low	78 Å²	78	128.2 Å²	128.2	65%	0.645	68%	0.68	S	S	*	*			trans	-93.4	71.1	167.3	0	0	0	0	0	108.8	I371	A369-I371 PolarHBondContact O-N 2.99Å
370	D	41.3	Very low	56.5	Low	146 Å²	146	133.1 Å²	133.1	78%	0.781	71%	0.71	S	S	*	*			trans	-57.2	117.5	161.6	-81.3	-39.5	0	0	0	107.9	S368 P372	S368-D370 VanDerWaalsContact C-N 3.33Å; S368-D370 PolarHBondContact O-N 2.96Å; D370-P372 WeakPolarHBondContact O-CD 3.44Å
371	I	44.6	Very low	54	Low	153 Å²	153	132.3 Å²	132.3	79%	0.785	71%	0.713	S	S	*	*			trans	-74	115.2	167.5	-60.6	172	0	0	0	105.5	A369 N373	A369-I371 PolarHBondContact O-N 2.99Å; I371-N373 PolarHBondContact O-N 3.16Å
372	P	44.2	Very low	51.2	Low	118 Å²	118	131.4 Å²	131.4	77%	0.766	72%	0.72	S	S	*	*			trans	-67.5	132.6	168.9	8.3	3.9	0	0	0	108.3	D370	D370-P372 WeakPolarHBondContact O-CD 3.44Å
373	N	42.5	Very low	48.6	Very low	240 Å²	240	131.4 Å²	131.4	100%	1.283	74%	0.739	S	S	*	*			trans	-42.8	0	177.6	-79.4	-25.1	0	0	0	114.6	I371	I371-N373 PolarHBondContact O-N 3.16Å

Retrieved 373 of 373 residues in 108.9 ms (Link to these results)

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