A0A087XQN9_POEFO Loading...

NOP2/Sun RNA methyltransferase 3

AlphaFold DB , UniProt , Accession A0A087XQN9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 372 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37.1	Very low	27.3	Very low	248 Å²	248	178.1 Å²	178.1	100%	1.222	86%	0.857	S	S	*	*				0	98.2	0	-80.1	174.8	-178.8	0	0	108.9
2	R	26.9	Very low	27	Very low	241 Å²	241	172.2 Å²	172.2	91%	0.909	86%	0.859	S	S	*	*			trans	-88.1	130.4	177	-69.8	179.8	177.1	-175.2	-1.2	108.3
3	R	26.4	Very low	26.7	Very low	249 Å²	249	164.2 Å²	164.2	94%	0.94	85%	0.848	S	S	*	*			trans	-94.7	104.6	165.3	-80.5	-175.4	178.8	170.6	0.3	108.1
4	N	23.3	Very low	26.5	Very low	141 Å²	141	161.8 Å²	161.8	75%	0.754	84%	0.844	S	S	*	*			trans	-75.9	135.2	160.7	-77.1	-14.6	0	0	0	108.1
5	I	27.3	Very low	26.3	Very low	152 Å²	152	163.2 Å²	163.2	78%	0.779	84%	0.842	S	S	*	*			trans	-115	101.9	160.3	-62.6	177.3	0	0	0	106.3	L7	I5-L7 HydrophobicContact CG2-CG 4.27Å
6	C	22.1	Very low	26.2	Very low	115 Å²	115	162 Å²	162	78%	0.777	84%	0.836	S	S	*	*			trans	-77.3	135.9	162.7	-71.6	0	0	0	0	108.5
7	L	24.3	Very low	26	Very low	164 Å²	164	166.5 Å²	166.5	86%	0.859	84%	0.84	S	S	*	*			trans	-131.1	115.2	160.6	-75.4	173.7	0	0	0	108.7	I5	I5-L7 HydrophobicContact CG2-CG 4.27Å
8	E	22.2	Very low	25.8	Very low	187 Å²	187	171.6 Å²	171.6	87%	0.874	85%	0.848	S	S	*	*			trans	-147.2	167	165.5	-130.2	-164.6	-152.7	0	0	107.5
9	P	38.7	Very low	25.7	Very low	100 Å²	100	171.8 Å²	171.8	65%	0.649	85%	0.851	S	S	*	*				-120.5	169.8	-92	38.3	-25.6	0	0	0	112.5
10	R	25.1	Very low	25.5	Very low	235 Å²	235	168.9 Å²	168.9	89%	0.887	85%	0.848	S	S	*	*			trans	-162.1	109.9	156.7	-107.1	162.6	-148.3	-118.7	6.5	113.8
11	T	26.6	Very low	25.4	Very low	127 Å²	127	165.9 Å²	165.9	78%	0.779	84%	0.843	S	S	*	*			trans	61.3	104.1	131.7	54.7	0	0	0	0	121.7
12	A	24.7	Very low	24.9	Very low	107 Å²	107	163.8 Å²	163.8	88%	0.884	83%	0.828	S	S	*	*				38.1	126.4	115.9	0	0	0	0	0	120.5
13	G	22.3	Very low	24.8	Very low	69 Å²	69	157.9 Å²	157.9	71%	0.711	82%	0.82	S	S	*	*			trans	148.1	76.1	152.1	0	0	0	0	0	116.7
14	T	24.4	Very low	24.7	Very low	130 Å²	130	152.3 Å²	152.3	80%	0.798	82%	0.818	S	S	*	*			trans	32.4	122.7	142.2	40.3	0	0	0	0	120.6
15	F	23.4	Very low	24.9	Very low	183 Å²	183	156.4 Å²	156.4	80%	0.803	82%	0.823	S	S	*	*				-171.3	115.9	104.6	-120.7	-101	0	0	0	113.5
16	L	24.7	Very low	24.9	Very low	144 Å²	144	155.3 Å²	155.3	75%	0.754	83%	0.826	S	S	*	*			trans	9.1	120.3	143.3	-69.7	144.4	0	0	0	119.5
17	R	23.5	Very low	25.3	Very low	239 Å²	239	152.9 Å²	152.9	90%	0.902	82%	0.82	S	S	*	*				175.8	104	126.2	-101.3	173.3	-177.6	-137.3	1.2	110.8
18	W	22.6	Very low	25.6	Very low	258 Å²	258	150.2 Å²	150.2	98%	0.977	81%	0.813	S	S	*	*			trans	-175.2	84.1	136.1	-117.8	66.1	0	0	0	110.4
19	L	23.3	Very low	26	Very low	175 Å²	175	146.7 Å²	146.7	92%	0.916	80%	0.8	S	S	*	*			trans	-143.7	110.1	159	-87.1	175.7	0	0	0	107.2
20	S	21.8	Very low	25.6	Very low	113 Å²	113	144.3 Å²	144.3	79%	0.79	79%	0.793	S	S	*	*			trans	168.8	111.2	140.3	55.1	0	0	0	0	109.5
21	S	23.6	Very low	25.9	Very low	107 Å²	107	135.8 Å²	135.8	75%	0.748	77%	0.77	S	S	*	*			trans	164.1	75.6	137.2	-72.6	0	0	0	0	110.7
22	F	26.3	Very low	25.9	Very low	204 Å²	204	135.9 Å²	135.9	90%	0.895	77%	0.765	S	S	*	*			trans	-144.2	123.7	151.6	-84	-75.1	0	0	0	108.1	C24	F22-C24 PolarHBondContact O-N 3.32Å
23	P	24.8	Very low	26	Very low	116 Å²	116	139.7 Å²	139.7	75%	0.753	76%	0.756	S	S	*	*			trans	-68.9	123.2	180	25.5	-30.4	0	0	0	110.3	R25	P23-R25 PolarHBondContact O-N 3.12Å; P23-R25 VanDerWaalsContact O-N 3.12Å
24	C	24.5	Very low	26.5	Very low	132 Å²	132	143.9 Å²	143.9	89%	0.892	76%	0.755	S	S	*	*			trans	-57	110.8	165.9	-78.3	0	0	0	0	109.5	F22	F22-C24 PolarHBondContact O-N 3.32Å
25	R	26.5	Very low	27	Very low	228 Å²	228	142.1 Å²	142.1	86%	0.86	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-90.2	133.9	157.2	-70.6	-170.8	-176.7	-147.3	1.6	108	P23 G27	P23-R25 PolarHBondContact O-N 3.12Å; P23-R25 VanDerWaalsContact O-N 3.12Å; R25-G27 PolarHBondContact O-N 2.76Å; R25-G27 VanDerWaalsContact O-N 3.16Å
26	P	28.6	Very low	27.4	Very low	129 Å²	129	141.2 Å²	141.2	84%	0.838	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-59.6	121.3	170.2	23.9	-30.1	0	0	0	108.4
27	G	30.2	Very low	28.2	Very low	63 Å²	63	139.8 Å²	139.8	65%	0.649	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-62.6	148.3	176	0	0	0	0	0	110.5	R25	R25-G27 PolarHBondContact O-N 2.76Å; R25-G27 VanDerWaalsContact O-N 3.16Å
28	P	29.5	Very low	29	Very low	109 Å²	109	131.7 Å²	131.7	71%	0.708	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-65.9	141.4	177.7	29	-33	0	0	0	110.1
29	D	30.5	Very low	29.8	Very low	113 Å²	113	128.2 Å²	128.2	60%	0.604	69%	0.685	S	S	*	*			trans	-37.5	128.1	179	-170.7	12.8	0	0	0	114.4	S31 L32	D29-S31 PolarHBondContact O-N 2.69Å; D29-S31 PolarHBondContact OD2-OG 3.1Å; D29-L32 PolarHBondContact O-N 3.16Å
30	G	30.6	Very low	30.9	Very low	49 Å²	49	122.4 Å²	122.4	51%	0.505	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.7	1.3	-174.6	0	0	0	0	0	115
31	S	31.2	Very low	32.1	Very low	57 Å²	57	119 Å²	119	40%	0.399	63%	0.632	S	S	.	*	H	α-helix	trans	-78.1	-32.7	176.7	61.4	0	0	0	0	113	D29	D29-S31 PolarHBondContact O-N 2.69Å; D29-S31 PolarHBondContact OD2-OG 3.1Å
32	L	27.1	Very low	33.2	Very low	129 Å²	129	120 Å²	120	68%	0.675	62%	0.622	S	S	*	*	H	α-helix	trans	-82.7	-26	-175	-91.7	140.3	0	0	0	114.2	D29	D29-L32 PolarHBondContact O-N 3.16Å
33	W	27.5	Very low	34	Very low	186 Å²	186	116.1 Å²	116.1	71%	0.705	61%	0.611	S	S	*	*	H	α-helix	trans	-80.2	-31	179.1	-79.3	83.4	0	0	0	113.7	N35 K36	W33-N35 VanDerWaalsContact C-N 3.31Å; W33-N35 PolarHBondContact O-N 3.16Å; W33-K36 PolarHBondContact O-N 3.38Å
34	K	33.1	Very low	35	Very low	157 Å²	157	117.7 Å²	117.7	68%	0.683	61%	0.606	S	S	*	*	H	α-helix	trans	-61	-39.3	175.1	-74.6	178.3	178.7	178.2	0	111.8	K36 Q38	K34-K36 PolarHBondContact O-N 3.06Å; K34-Q38 WeakPolarHBondContact O-CB 3.5Å; K34-Q38 PolarHBondContact O-N 3.38Å
35	N	33.2	Very low	36.1	Very low	93 Å²	93	114.6 Å²	114.6	50%	0.497	58%	0.58	S	S	.	*	H	α-helix	trans	-69.6	-27.9	-178.2	-81	-28.9	0	0	0	114.3	W33 R39	W33-N35 VanDerWaalsContact C-N 3.31Å; W33-N35 PolarHBondContact O-N 3.16Å; N35-R39 VanDerWaalsContact O-CB 3.27Å; N35-R39 WeakPolarHBondContact O-CB 3.39Å; N35-R39 WeakPolarHBondContact O-CG 3.37Å; N35-R39 PolarHBondContact O-N 3.28Å
36	K	32.8	Very low	36.9	Very low	165 Å²	165	112.7 Å²	112.7	72%	0.717	57%	0.573	S	S	*	*	H	α-helix	trans	-77.4	-40.2	-176.3	-122.6	178.8	-176.6	178.2	0	112.7	W33 K34 S40	W33-K36 PolarHBondContact O-N 3.38Å; K34-K36 PolarHBondContact O-N 3.06Å; K36-S40 WeakPolarHBondContact O-CB 3.25Å; K36-S40 PolarHBondContact O-N 3.24Å
37	Q	41	Very low	37.4	Very low	113 Å²	113	114.8 Å²	114.8	53%	0.528	58%	0.577	S	S	.	*	H	α-helix	trans	-68.1	-42.5	172.6	-91.2	-175.5	-20.1	0	0	111.5	S40 L41	Q37-S40 PolarHBondContact O-N 3.27Å; Q37-L41 WeakPolarHBondContact O-CD1 3.46Å; Q37-L41 PolarHBondContact O-N 3.17Å
38	Q	40.6	Very low	37.9	Very low	69 Å²	69	115.3 Å²	115.3	32%	0.322	57%	0.568	S	S	.	*	H	α-helix	trans	-65.5	-42	-179.7	-140.2	171.9	6.3	0	0	112.2	K34 K42 I106	K34-Q38 WeakPolarHBondContact O-CB 3.5Å; K34-Q38 PolarHBondContact O-N 3.38Å; Q38-K42 WeakPolarHBondContact O-CG 3.36Å; Q38-K42 PolarHBondContact O-N 3.39Å; Q38-I106 HydrophobicContact CG-CD1 4.16Å
39	R	38.2	Very low	38.3	Very low	186 Å²	186	114.1 Å²	114.1	70%	0.702	58%	0.575	S	S	*	*	H	α-helix	trans	-66.7	-36.8	171.2	-78.4	178.8	166.3	-176.4	-3	112.5	N35 N43	N35-R39 VanDerWaalsContact O-CB 3.27Å; N35-R39 WeakPolarHBondContact O-CB 3.39Å; N35-R39 WeakPolarHBondContact O-CG 3.37Å; N35-R39 PolarHBondContact O-N 3.28Å; R39-N43 WeakPolarHBondContact O-CB 3.41Å; R39-N43 PolarHBondContact O-N 2.77Å
40	S	46.5	Very low	39	Very low	53 Å²	53	116.7 Å²	116.7	37%	0.371	58%	0.581	S	S	.	*	H	α-helix	trans	-70.4	-32.5	178.5	-177.9	0	0	0	0	113.5	K36 Q37 K44	K36-S40 WeakPolarHBondContact O-CB 3.25Å; K36-S40 PolarHBondContact O-N 3.24Å; Q37-S40 PolarHBondContact O-N 3.27Å; S40-K44 VanDerWaalsContact O-CB 3.26Å; S40-K44 WeakPolarHBondContact O-CB 3.35Å; S40-K44 PolarHBondContact O-N 3.24Å
41	L	47	Very low	39.8	Very low	41 Å²	41	119.8 Å²	119.8	22%	0.215	60%	0.595	C	S	.	*	H	α-helix	trans	-73.7	-43.2	174.6	-95.4	113	0	0	0	111.3	Q37 N43 K44 I103 F138 P139	Q37-L41 WeakPolarHBondContact O-CD1 3.46Å; Q37-L41 PolarHBondContact O-N 3.17Å; L41-N43 VanDerWaalsContact C-N 3.28Å; L41-N43 PolarHBondContact O-N 2.97Å; L41-K44 PolarHBondContact O-N 3.23Å; L41-I103 HydrophobicContact CD2-CD1 4.09Å; L41-F138 HydrophobicContact CD2-CE1 4.41Å; L41-F138 HydrophobicContact CD2-CZ 4.33Å; L41-P139 HydrophobicContact CD2-CG 3.59Å; L41-P139 HydrophobicContact CG-CG 4.09Å
42	K	48.4	Very low	41	Very low	127 Å²	127	126.6 Å²	126.6	55%	0.552	61%	0.612	S	S	*	*	H	α-helix	trans	-59.1	-37.9	173.8	-73.7	-174.5	176.8	-172	0	112.3	Q38	Q38-K42 WeakPolarHBondContact O-CG 3.36Å; Q38-K42 PolarHBondContact O-N 3.39Å
43	N	41.6	Very low	42.8	Very low	124 Å²	124	129.5 Å²	129.5	66%	0.663	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-8.8	-178.2	-72.7	-6.4	0	0	0	115.3	R39 L41	R39-N43 WeakPolarHBondContact O-CB 3.41Å; R39-N43 PolarHBondContact O-N 2.77Å; L41-N43 VanDerWaalsContact C-N 3.28Å; L41-N43 PolarHBondContact O-N 2.97Å
44	K	47.5	Very low	45.3	Very low	148 Å²	148	127.4 Å²	127.4	64%	0.643	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	0.2	-177.8	-99	-179	174.2	176	0	115.1	S40 L41 R46	S40-K44 VanDerWaalsContact O-CB 3.26Å; S40-K44 WeakPolarHBondContact O-CB 3.35Å; S40-K44 PolarHBondContact O-N 3.24Å; L41-K44 PolarHBondContact O-N 3.23Å; K44-R46 PolarHBondContact O-N 3.3Å
45	I	47.5	Very low	47.8	Very low	67 Å²	67	121.8 Å²	121.8	34%	0.344	60%	0.595	S	S	.	*			trans	-80.6	75.7	170.9	-53.1	173.8	0	0	0	107.1	Q110	I45-Q110 VanDerWaalsContact CD1-OE1 3.3Å
46	R	41.6	Very low	50.6	Low	189 Å²	189	117.5 Å²	117.5	71%	0.713	57%	0.573	S	S	*	*			trans	-105.5	132	174.7	-78.8	-174.7	171.2	-170.8	-4.2	109.8	K44 T48	K44-R46 PolarHBondContact O-N 3.3Å; R46-T48 HydrophobicContact CB-CG2 4.02Å; R46-T48 PolarHBondContact O-N 3.07Å; R46-T48 PolarHBondContact O-OG1 2.88Å
47	N	40	Very low	53.4	Low	172 Å²	172	113.1 Å²	113.1	92%	0.92	56%	0.561	S	S	*	*			trans	-66.9	80	167.7	-148.9	4.3	0	0	0	108.6
48	T	39.8	Very low	55.8	Low	74 Å²	74	108.8 Å²	108.8	45%	0.454	54%	0.544	S	S	.	.			trans	-92.9	103.5	179.9	42.5	0	0	0	0	108.4	R46 K50 R137	R46-T48 HydrophobicContact CB-CG2 4.02Å; R46-T48 PolarHBondContact O-N 3.07Å; R46-T48 PolarHBondContact O-OG1 2.88Å; T48-K50 PolarHBondContact O-N 3.48Å; T48-R137 PolarHBondContact O-NH1 3.43Å; T48-R137 PolarHBondContact OG1-NH1 2.82Å
49	G	38.5	Very low	58.3	Low	84 Å²	84	105.5 Å²	105.5	87%	0.866	53%	0.529	S	S	*	.			trans	-60.1	97.1	170.4	0	0	0	0	0	109.9
50	K	46.3	Very low	61	Low	168 Å²	168	97.5 Å²	97.5	73%	0.73	50%	0.5	S	S	*	.			trans	-78.3	142.2	160.2	-78.4	-177.2	174.9	179.4	0	107.3	T48 R52	T48-K50 PolarHBondContact O-N 3.48Å; K50-R52 PolarHBondContact O-N 3.34Å
51	S	47.3	Very low	63.3	Low	114 Å²	114	99.9 Å²	99.9	80%	0.797	51%	0.509	S	S	*	.			trans	-41.6	125.3	169.9	-179.1	0	0	0	0	110.2	R53	S51-R53 PolarHBondContact O-N 3.22Å
52	R	56.3	Low	65.6	Low	200 Å²	200	100.9 Å²	100.9	76%	0.755	51%	0.512	S	S	*	.			trans	-56.3	113.3	177.1	-98.3	179.4	157.7	-176.8	-7	107.5	K50 L54	K50-R52 PolarHBondContact O-N 3.34Å; R52-L54 PolarHBondContact O-N 3.25Å
53	R	65.1	Low	67.8	Low	189 Å²	189	94.9 Å²	94.9	71%	0.713	49%	0.486	S	S	*	.			trans	-67.7	105.8	172.5	-72.9	-176	179.1	178.8	-2.8	107.6	S51 H260	S51-R53 PolarHBondContact O-N 3.22Å; R53-H260 HydrophobicContact CB-CB 4.19Å; R53-H260 PolarHBondContact O-ND1 3.05Å
54	L	78.5	Confident	70.5	Confident	142 Å²	142	90.7 Å²	90.7	74%	0.743	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-62.1	141.8	175.5	-68.5	168.8	0	0	0	109.4	R52	R52-L54 PolarHBondContact O-N 3.25Å
55	P	86.7	Confident	72.8	Confident	39 Å²	39	90 Å²	90	25%	0.253	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-65.2	148.6	173.4	30.6	-36.9	0	0	0	110.2	P57 L60 L83 L259	P55-P57 WeakPolarHBondContact O-CD 3.47Å; P55-L60 HydrophobicContact CB-CD2 4.28Å; P55-L60 HydrophobicContact CG-CD2 4.17Å; P55-L83 HydrophobicContact CB-CD2 3.64Å; P55-L83 HydrophobicContact CG-CD2 3.74Å; P55-L259 CarbonylContact C-O 3.46Å; P55-L259 WeakPolarHBondContact CA-O 3.35Å; P55-L259 HydrophobicContact CB-CD1 3.87Å; P55-L259 HydrophobicContact CB-CG 4.07Å
56	C	90.9	Very high	75.1	Confident	4 Å²	4	88.1 Å²	88.1	3%	0.027	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-72.8	119.4	171.2	-179.8	0	0	0	0	109.4	A58 V59 L60 L259	C56-A58 VanDerWaalsContact C-N 3.33Å; C56-A58 PolarHBondContact O-N 3.33Å; C56-V59 HydrophobicContact CB-CB 4.13Å; C56-V59 HydrophobicContact CB-CG2 4.01Å; C56-V59 PolarHBondContact O-N 2.77Å; C56-L60 WeakPolarHBondContact O-CB 3.04Å; C56-L60 PolarHBondContact O-N 3.46Å; C56-L259 PolarHBondContact N-O 3.24Å
57	P	91.3	Very high	77.8	Confident	72 Å²	72	79.1 Å²	79.1	47%	0.468	42%	0.419	S	S	.	.	H	α-helix	trans	-60.2	-39.4	-175.9	-26.1	35.5	0	0	0	113.6	P55 L60 N61	P55-P57 WeakPolarHBondContact O-CD 3.47Å; P57-L60 PolarHBondContact O-N 2.76Å; P57-N61 WeakPolarHBondContact O-CB 3.44Å; P57-N61 PolarHBondContact O-N 3.37Å; P57-N61 PolarHBondContact O-ND2 3.02Å; P57-N61 PolarHBondContact O-OD1 3.17Å
58	A	91.5	Very high	80.5	Confident	22 Å²	22	73.7 Å²	73.7	18%	0.182	39%	0.394	C	S	.	.	H	α-helix	trans	-62.1	-46.8	179.1	0	0	0	0	0	111.8	C56 H62 L271	C56-A58 VanDerWaalsContact C-N 3.33Å; C56-A58 PolarHBondContact O-N 3.33Å; A58-H62 WeakPolarHBondContact O-CB 3.44Å; A58-H62 PolarHBondContact O-N 2.98Å; A58-H62 VanDerWaalsContact O-N 3.14Å; A58-L271 HydrophobicContact CB-CD1 4.31Å
59	V	93.9	Very high	83.2	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-66	-44.5	177.9	178.9	0	0	0	0	110.8	C56 H62 F63 W258 L271	C56-V59 HydrophobicContact CB-CB 4.13Å; C56-V59 HydrophobicContact CB-CG2 4.01Å; C56-V59 PolarHBondContact O-N 2.77Å; V59-H62 PolarHBondContact O-N 3.4Å; V59-F63 HydrophobicContact CG1-CD1 4.4Å; V59-F63 HydrophobicContact CG1-CD2 3.94Å; V59-F63 HydrophobicContact CG1-CE1 4.02Å; V59-F63 HydrophobicContact CG1-CE2 3.51Å; V59-F63 HydrophobicContact CG1-CG 4.36Å; V59-F63 HydrophobicContact CG1-CZ 3.57Å; V59-F63 WeakPolarHBondContact O-CB 3.45Å; V59-F63 WeakPolarHBondContact O-CG 3.03Å; V59-F63 PolarHBondContact O-N 2.89Å; V59-W258 HydrophobicContact CG1-CB 4.44Å; V59-L271 HydrophobicContact CG2-CG 4.33Å
60	L	94.7	Very high	85.9	Confident	18 Å²	18	76.6 Å²	76.6	9%	0.094	38%	0.38	C	S	.	.	H	α-helix	trans	-62.5	-45.3	179.5	179.4	56.6	0	0	0	111.9	P55 C56 P57 H62 F63 D64 L83 L259	P55-L60 HydrophobicContact CB-CD2 4.28Å; P55-L60 HydrophobicContact CG-CD2 4.17Å; C56-L60 WeakPolarHBondContact O-CB 3.04Å; C56-L60 PolarHBondContact O-N 3.46Å; P57-L60 PolarHBondContact O-N 2.76Å; L60-H62 VanDerWaalsContact C-N 3.31Å; L60-H62 PolarHBondContact O-N 3.07Å; L60-F63 PolarHBondContact O-N 2.94Å; L60-D64 WeakPolarHBondContact O-CB 2.95Å; L60-D64 PolarHBondContact O-N 2.94Å; L60-L83 HydrophobicContact CD1-CD1 4.39Å; L60-L83 HydrophobicContact CD1-CD2 4.2Å; L60-L83 HydrophobicContact CD2-CD1 4.47Å; L60-L83 HydrophobicContact CD2-CD2 4.09Å; L60-L259 HydrophobicContact CB-CD1 3.83Å; L60-L259 HydrophobicContact CD1-CD1 3.93Å; L60-L259 HydrophobicContact CG-CD1 4.38Å
61	N	94.6	Very high	88.3	Confident	104 Å²	104	69.7 Å²	69.7	56%	0.556	35%	0.351	S	S	*	.	H	α-helix	trans	-61.7	-41.2	178	-71.2	-9.8	0	0	0	111.7	P57 D64 Q65	P57-N61 WeakPolarHBondContact O-CB 3.44Å; P57-N61 PolarHBondContact O-N 3.37Å; P57-N61 PolarHBondContact O-ND2 3.02Å; P57-N61 PolarHBondContact O-OD1 3.17Å; N61-D64 PolarHBondContact O-N 3.21Å; N61-Q65 PolarHBondContact O-N 3.33Å
62	H	94.9	Very high	90.6	Very high	62 Å²	62	66.1 Å²	66.1	29%	0.287	33%	0.332	S	S	.	.	H	α-helix	trans	-64.8	-43.4	176.7	179.2	81.5	0	0	0	111.9	A58 V59 L60 Q65 Q66 L271 R274	A58-H62 WeakPolarHBondContact O-CB 3.44Å; A58-H62 PolarHBondContact O-N 2.98Å; A58-H62 VanDerWaalsContact O-N 3.14Å; V59-H62 PolarHBondContact O-N 3.4Å; L60-H62 VanDerWaalsContact C-N 3.31Å; L60-H62 PolarHBondContact O-N 3.07Å; H62-Q65 PolarHBondContact O-N 3.01Å; H62-Q66 PolarHBondContact O-N 3.09Å; H62-L271 HydrophobicContact CB-CD1 4.03Å; H62-L271 HydrophobicContact CB-CD2 3.95Å; H62-L271 VanDerWaalsContact CD2-CD2 3.41Å; H62-L271 WeakPolarHBondContact CD2-CD2 3.33Å; H62-R274 PolarHBondContact CD2-NH1 3.47Å; H62-R274 PolarHBondContact NE2-NH1 2.63Å
63	F	95.9	Very high	92.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-64.1	-40.1	173.5	-70.9	-7.4	0	0	0	112.2	V59 L60 Q65 Q66 Y67 W75 D255 L259	V59-F63 HydrophobicContact CG1-CD1 4.4Å; V59-F63 HydrophobicContact CG1-CD2 3.94Å; V59-F63 HydrophobicContact CG1-CE1 4.02Å; V59-F63 HydrophobicContact CG1-CE2 3.51Å; V59-F63 HydrophobicContact CG1-CG 4.36Å; V59-F63 HydrophobicContact CG1-CZ 3.57Å; V59-F63 WeakPolarHBondContact O-CB 3.45Å; V59-F63 WeakPolarHBondContact O-CG 3.03Å; V59-F63 PolarHBondContact O-N 2.89Å; L60-F63 PolarHBondContact O-N 2.94Å; F63-Q65 VanDerWaalsContact C-N 3.32Å; F63-Q65 PolarHBondContact O-N 3.38Å; F63-Q66 PolarHBondContact O-N 3.42Å; F63-Y67 HydrophobicContact CB-CD2 3.73Å; F63-Y67 HydrophobicContact CB-CE2 3.8Å; F63-Y67 HydrophobicContact CD1-CD2 4.35Å; F63-Y67 AromaticContact CD1-CE2 3.58Å; F63-Y67 HydrophobicContact CD1-CE2 3.58Å; F63-Y67 HydrophobicContact CD2-CE2 4.08Å; F63-Y67 HydrophobicContact CE1-CE2 4.12Å; F63-Y67 HydrophobicContact CG-CD2 4.04Å; F63-Y67 AromaticContact CG-CE2 3.56Å; F63-Y67 HydrophobicContact CG-CE2 3.56Å; F63-Y67 VanDerWaalsContact O-CB 3.3Å; F63-Y67 WeakPolarHBondContact O-CB 3.14Å; F63-Y67 PolarHBondContact O-N 2.52Å; F63-W75 HydrophobicContact CB-CH2 4.04Å; F63-W75 HydrophobicContact CB-CZ2 4.08Å; F63-D255 HydrophobicContact CE2-CB 3.81Å; F63-D255 HydrophobicContact CZ-CB 3.93Å; F63-L259 HydrophobicContact CD2-CD1 4.36Å; F63-L259 HydrophobicContact CE2-CB 4.35Å
64	D	97.1	Very high	93.8	Very high	36 Å²	36	58.4 Å²	58.4	19%	0.193	32%	0.32	C	S	.	.	H	α-helix	trans	-61.8	-40.9	176.9	-82.5	-24.9	0	0	0	111.4	L60 N61 S68 W75 R79	L60-D64 WeakPolarHBondContact O-CB 2.95Å; L60-D64 PolarHBondContact O-N 2.94Å; N61-D64 PolarHBondContact O-N 3.21Å; D64-S68 WeakPolarHBondContact O-CB 3.3Å; D64-S68 PolarHBondContact O-N 3.04Å; D64-S68 PolarHBondContact O-OG 3.11Å; D64-W75 VanDerWaalsContact OD1-CZ2 3.29Å; D64-W75 WeakPolarHBondContact OD1-CZ2 3.38Å; D64-W75 PolarHBondContact OD1-NE1 3.03Å; D64-R79 WeakPolarHBondContact OD1-CD 3.34Å; D64-R79 IonicContact OD1-CZ 3.47Å; D64-R79 IonicContact OD1-NE 3.16Å; D64-R79 PolarHBondContact OD1-NE 3.05Å; D64-R79 IonicContact OD1-NH2 2.88Å; D64-R79 IonicContact OD2-CZ 2.69Å; D64-R79 IonicContact OD2-NE 2.68Å; D64-R79 PolarHBondContact OD2-NE 3.33Å; D64-R79 VanDerWaalsContact OD2-NE 3.16Å; D64-R79 IonicContact OD2-NH2 3.08Å; D64-R79 PolarHBondContact OD2-NH2 3.35Å
65	Q	96.1	Very high	94.7	Very high	135 Å²	135	52.1 Å²	52.1	63%	0.631	29%	0.286	S	S	*	.	H	α-helix	trans	-65.4	-55.3	175.3	-174.8	177.7	4.4	0	0	111.6	N61 H62 F63	N61-Q65 PolarHBondContact O-N 3.33Å; H62-Q65 PolarHBondContact O-N 3.01Å; F63-Q65 VanDerWaalsContact C-N 3.32Å; F63-Q65 PolarHBondContact O-N 3.38Å
66	Q	96.6	Very high	95.2	Very high	26 Å²	26	53.4 Å²	53.4	12%	0.121	30%	0.301	C	S	.	.	H	α-helix	trans	-69.7	-50	-173.4	-175.7	-175.8	-10.9	0	0	112.6	H62 F63 S68 E69 E70 S306	H62-Q66 PolarHBondContact O-N 3.09Å; F63-Q66 PolarHBondContact O-N 3.42Å; Q66-S68 PolarHBondContact O-N 2.83Å; Q66-E69 WeakPolarHBondContact O-CB 3.49Å; Q66-E69 PolarHBondContact O-N 2.94Å; Q66-E70 HydrophobicContact CG-CG 4.31Å; Q66-E70 PolarHBondContact NE2-OE1 2.67Å; Q66-E70 PolarHBondContact O-N 3.33Å; Q66-S306 PolarHBondContact NE2-OG 2.87Å
67	Y	97.4	Very high	95.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-79.4	-20.4	-170.8	-59.1	-35.3	0	0	0	113.3	F63 E69 L71 W75 D255 R274 T304 L305	F63-Y67 HydrophobicContact CB-CD2 3.73Å; F63-Y67 HydrophobicContact CB-CE2 3.8Å; F63-Y67 HydrophobicContact CD1-CD2 4.35Å; F63-Y67 AromaticContact CD1-CE2 3.58Å; F63-Y67 HydrophobicContact CD1-CE2 3.58Å; F63-Y67 HydrophobicContact CD2-CE2 4.08Å; F63-Y67 HydrophobicContact CE1-CE2 4.12Å; F63-Y67 HydrophobicContact CG-CD2 4.04Å; F63-Y67 AromaticContact CG-CE2 3.56Å; F63-Y67 HydrophobicContact CG-CE2 3.56Å; F63-Y67 VanDerWaalsContact O-CB 3.3Å; F63-Y67 WeakPolarHBondContact O-CB 3.14Å; F63-Y67 PolarHBondContact O-N 2.52Å; Y67-E69 VanDerWaalsContact C-N 3.26Å; Y67-E69 PolarHBondContact O-N 3Å; Y67-L71 VanDerWaalsContact O-CB 3.31Å; Y67-L71 WeakPolarHBondContact O-CB 3.27Å; Y67-L71 PolarHBondContact O-N 2.99Å; Y67-W75 VanDerWaalsContact CB-CE3 3.5Å; Y67-W75 HydrophobicContact CD2-CE3 4.01Å; Y67-W75 AromaticContact CD2-CH2 3.64Å; Y67-W75 HydrophobicContact CD2-CH2 3.64Å; Y67-W75 HydrophobicContact CD2-CZ2 4.25Å; Y67-W75 AromaticContact CD2-CZ3 3.5Å; Y67-W75 HydrophobicContact CD2-CZ3 3.5Å; Y67-W75 VanDerWaalsContact CD2-CZ3 3.5Å; Y67-W75 HydrophobicContact CE2-CH2 4.49Å; Y67-W75 HydrophobicContact CE2-CZ3 4.42Å; Y67-W75 HydrophobicContact CG-CE3 4.18Å; Y67-W75 HydrophobicContact CG-CZ3 4.13Å; Y67-D255 PolarHBondContact OH-OD1 3.12Å; Y67-D255 PolarHBondContact OH-OD2 2.84Å; Y67-R274 PolarHBondContact OH-NH2 2.65Å; Y67-T304 PolarHBondContact OH-OG1 3.39Å; Y67-L305 HydrophobicContact CD1-CB 4.03Å; Y67-L305 HydrophobicContact CD2-CB 4.4Å; Y67-L305 HydrophobicContact CD2-CD1 4.11Å; Y67-L305 HydrophobicContact CE1-CB 3.72Å; Y67-L305 HydrophobicContact CE2-CB 4.1Å; Y67-L305 HydrophobicContact CE2-CD1 4.2Å; Y67-L305 HydrophobicContact CG-CB 4.37Å
68	S	97	Very high	95.7	Very high	59 Å²	59	52 Å²	52	41%	0.413	29%	0.293	S	S	.	.	H	α-helix	trans	-63.4	-36.7	167.4	-60.3	0	0	0	0	111.3	D64 Q66 G72	D64-S68 WeakPolarHBondContact O-CB 3.3Å; D64-S68 PolarHBondContact O-N 3.04Å; D64-S68 PolarHBondContact O-OG 3.11Å; Q66-S68 PolarHBondContact O-N 2.83Å; S68-G72 VanDerWaalsContact O-CA 3.31Å; S68-G72 WeakPolarHBondContact O-CA 3.26Å; S68-G72 PolarHBondContact O-N 3.11Å
69	E	96.4	Very high	95.9	Very high	156 Å²	156	54.9 Å²	54.9	73%	0.729	30%	0.299	S	S	*	.	H	α-helix	trans	-74.4	-45.9	176.2	-65.7	174.4	-172.8	0	0	111.5	Q66 Y67	Q66-E69 WeakPolarHBondContact O-CB 3.49Å; Q66-E69 PolarHBondContact O-N 2.94Å; Y67-E69 VanDerWaalsContact C-N 3.26Å; Y67-E69 PolarHBondContact O-N 3Å
70	E	95.9	Very high	96	Very high	63 Å²	63	57.6 Å²	57.6	29%	0.294	32%	0.321	S	S	.	.	H	α-helix	trans	-74.7	-36.3	-175.4	-68.5	-175.8	178.8	0	0	114.2	Q66 S307	Q66-E70 HydrophobicContact CG-CG 4.31Å; Q66-E70 PolarHBondContact NE2-OE1 2.67Å; Q66-E70 PolarHBondContact O-N 3.33Å; E70-S307 PolarHBondContact OE1-N 3.3Å; E70-S307 PolarHBondContact OE1-OG 3.36Å; E70-S307 PolarHBondContact OE2-N 2.83Å
71	L	95.8	Very high	96	Very high	22 Å²	22	57.1 Å²	57.1	12%	0.115	32%	0.319	C	S	.	.	H	α-helix	trans	-110	-11.4	-173	-60.1	177.5	0	0	0	113.7	Y67 D73 L74 W75 L305 I344 L351	Y67-L71 VanDerWaalsContact O-CB 3.31Å; Y67-L71 WeakPolarHBondContact O-CB 3.27Å; Y67-L71 PolarHBondContact O-N 2.99Å; L71-D73 PolarHBondContact O-N 2.94Å; L71-L74 HydrophobicContact CB-CB 4.23Å; L71-L74 WeakPolarHBondContact O-CB 3.31Å; L71-L74 PolarHBondContact O-N 3Å; L71-W75 HydrophobicContact CB-CB 4.2Å; L71-W75 HydrophobicContact CD1-CE3 4.33Å; L71-L305 HydrophobicContact CD1-CB 4.33Å; L71-L305 HydrophobicContact CD1-CD1 3.96Å; L71-L305 HydrophobicContact CD1-CD2 4.17Å; L71-L305 HydrophobicContact CD1-CG 4.38Å; L71-I344 HydrophobicContact CD2-CD1 4.05Å; L71-L351 HydrophobicContact CD2-CD2 4.45Å
72	G	95.6	Very high	96	Very high	39 Å²	39	52.1 Å²	52.1	40%	0.402	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	-129.7	-176.3	0	0	0	0	0	112.1	S68 L74 W75	S68-G72 VanDerWaalsContact O-CA 3.31Å; S68-G72 WeakPolarHBondContact O-CA 3.26Å; S68-G72 PolarHBondContact O-N 3.11Å; G72-L74 PolarHBondContact O-N 3.31Å; G72-L74 VanDerWaalsContact O-N 3.1Å; G72-W75 WeakPolarHBondContact O-CB 3.24Å; G72-W75 PolarHBondContact O-N 3.05Å
73	D	94.3	Very high	96	Very high	158 Å²	158	51.4 Å²	51.4	85%	0.845	29%	0.29	S	S	*	.	H	α-helix	trans	-59.9	-24.3	-177.5	-63.7	-26.4	0	0	0	113.9	L71 W75	L71-D73 PolarHBondContact O-N 2.94Å; D73-W75 PolarHBondContact O-N 3.02Å
74	L	95.6	Very high	95.8	Very high	70 Å²	70	54.1 Å²	54.1	37%	0.366	31%	0.305	S	S	.	.	H	α-helix	trans	-68.6	-23.9	178.3	-64.9	175.7	0	0	0	112.5	L71 G72 A78 I344 Q355	L71-L74 HydrophobicContact CB-CB 4.23Å; L71-L74 WeakPolarHBondContact O-CB 3.31Å; L71-L74 PolarHBondContact O-N 3Å; G72-L74 PolarHBondContact O-N 3.31Å; G72-L74 VanDerWaalsContact O-N 3.1Å; L74-A78 WeakPolarHBondContact O-CB 3.31Å; L74-A78 PolarHBondContact O-N 2.69Å; L74-A78 VanDerWaalsContact O-N 3.11Å; L74-I344 HydrophobicContact CD1-CD1 4.43Å; L74-I344 HydrophobicContact CD1-CG2 3.82Å; L74-Q355 PolarHBondContact O-NE2 3.38Å
75	W	97.5	Very high	95.4	Very high	9 Å²	9	54.5 Å²	54.5	3%	0.034	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-43.8	-178.7	174.5	-126.6	0	0	0	112	F63 D64 Y67 L71 G72 D73 S77 A78 R79 L82 L305	F63-W75 HydrophobicContact CB-CH2 4.04Å; F63-W75 HydrophobicContact CB-CZ2 4.08Å; D64-W75 VanDerWaalsContact OD1-CZ2 3.29Å; D64-W75 WeakPolarHBondContact OD1-CZ2 3.38Å; D64-W75 PolarHBondContact OD1-NE1 3.03Å; Y67-W75 VanDerWaalsContact CB-CE3 3.5Å; Y67-W75 HydrophobicContact CD2-CE3 4.01Å; Y67-W75 AromaticContact CD2-CH2 3.64Å; Y67-W75 HydrophobicContact CD2-CH2 3.64Å; Y67-W75 HydrophobicContact CD2-CZ2 4.25Å; Y67-W75 AromaticContact CD2-CZ3 3.5Å; Y67-W75 HydrophobicContact CD2-CZ3 3.5Å; Y67-W75 VanDerWaalsContact CD2-CZ3 3.5Å; Y67-W75 HydrophobicContact CE2-CH2 4.49Å; Y67-W75 HydrophobicContact CE2-CZ3 4.42Å; Y67-W75 HydrophobicContact CG-CE3 4.18Å; Y67-W75 HydrophobicContact CG-CZ3 4.13Å; L71-W75 HydrophobicContact CB-CB 4.2Å; L71-W75 HydrophobicContact CD1-CE3 4.33Å; G72-W75 WeakPolarHBondContact O-CB 3.24Å; G72-W75 PolarHBondContact O-N 3.05Å; D73-W75 PolarHBondContact O-N 3.02Å; W75-S77 VanDerWaalsContact C-N 3.28Å; W75-S77 PolarHBondContact O-N 3.12Å; W75-A78 HydrophobicContact CE3-CB 4.2Å; W75-A78 PolarHBondContact O-N 3.01Å; W75-A78 VanDerWaalsContact O-N 3.12Å; W75-R79 HydrophobicContact CD2-CB 4Å; W75-R79 HydrophobicContact CE3-CB 4.2Å; W75-R79 HydrophobicContact CH2-CB 3.94Å; W75-R79 HydrophobicContact CH2-CG 4.15Å; W75-R79 HydrophobicContact CZ2-CB 3.73Å; W75-R79 HydrophobicContact CZ2-CG 3.69Å; W75-R79 HydrophobicContact CZ3-CB 4.17Å; W75-R79 WeakPolarHBondContact O-CB 3.42Å; W75-R79 PolarHBondContact O-N 2.99Å; W75-L82 HydrophobicContact CH2-CD1 4.1Å; W75-L82 HydrophobicContact CZ3-CD1 3.84Å; W75-L305 HydrophobicContact CE3-CD1 4.3Å; W75-L305 HydrophobicContact CZ3-CD1 3.84Å
76	A	96.7	Very high	95	Very high	67 Å²	67	51.8 Å²	51.8	55%	0.554	30%	0.304	S	S	*	.	H	α-helix	trans	-55.7	-45.3	-176.2	0	0	0	0	0	112.1	A80	A76-A80 PolarHBondContact O-N 2.86Å; A76-A80 VanDerWaalsContact O-N 3.15Å
77	S	95.9	Very high	94.5	Very high	47 Å²	47	51.6 Å²	51.6	33%	0.329	31%	0.305	S	S	.	.	H	α-helix	trans	-72.2	-39.9	177.9	-63.3	0	0	0	0	112.7	W75 A80 V81	W75-S77 VanDerWaalsContact C-N 3.28Å; W75-S77 PolarHBondContact O-N 3.12Å; S77-A80 PolarHBondContact O-N 3.17Å; S77-V81 PolarHBondContact O-N 3.47Å
78	A	96.9	Very high	94.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-46.3	176.7	0	0	0	0	0	112.1	L74 W75 A80 V81 L82 V353 P354	L74-A78 WeakPolarHBondContact O-CB 3.31Å; L74-A78 PolarHBondContact O-N 2.69Å; L74-A78 VanDerWaalsContact O-N 3.11Å; W75-A78 HydrophobicContact CE3-CB 4.2Å; W75-A78 PolarHBondContact O-N 3.01Å; W75-A78 VanDerWaalsContact O-N 3.12Å; A78-A80 VanDerWaalsContact C-N 3.32Å; A78-A80 PolarHBondContact O-N 2.91Å; A78-V81 PolarHBondContact O-N 2.84Å; A78-L82 VanDerWaalsContact O-CG 3.32Å; A78-L82 WeakPolarHBondContact O-CG 3.29Å; A78-L82 PolarHBondContact O-N 3.35Å; A78-V353 HydrophobicContact CB-CG1 3.67Å; A78-P354 WeakPolarHBondContact CA-O 3.39Å; A78-P354 WeakPolarHBondContact CB-O 3.31Å
79	R	96.1	Very high	93.6	Very high	81 Å²	81	51.7 Å²	51.7	31%	0.306	30%	0.297	S	S	.	.	H	α-helix	trans	-54.8	-46.1	174.2	-174.7	-172	-172.7	-90.2	4	111.8	D64 W75 V81 L82 L83	D64-R79 WeakPolarHBondContact OD1-CD 3.34Å; D64-R79 IonicContact OD1-CZ 3.47Å; D64-R79 IonicContact OD1-NE 3.16Å; D64-R79 PolarHBondContact OD1-NE 3.05Å; D64-R79 IonicContact OD1-NH2 2.88Å; D64-R79 IonicContact OD2-CZ 2.69Å; D64-R79 IonicContact OD2-NE 2.68Å; D64-R79 PolarHBondContact OD2-NE 3.33Å; D64-R79 VanDerWaalsContact OD2-NE 3.16Å; D64-R79 IonicContact OD2-NH2 3.08Å; D64-R79 PolarHBondContact OD2-NH2 3.35Å; W75-R79 HydrophobicContact CD2-CB 4Å; W75-R79 HydrophobicContact CE3-CB 4.2Å; W75-R79 HydrophobicContact CH2-CB 3.94Å; W75-R79 HydrophobicContact CH2-CG 4.15Å; W75-R79 HydrophobicContact CZ2-CB 3.73Å; W75-R79 HydrophobicContact CZ2-CG 3.69Å; W75-R79 HydrophobicContact CZ3-CB 4.17Å; W75-R79 WeakPolarHBondContact O-CB 3.42Å; W75-R79 PolarHBondContact O-N 2.99Å; R79-V81 VanDerWaalsContact C-N 3.31Å; R79-V81 PolarHBondContact O-N 3.14Å; R79-L82 PolarHBondContact O-N 2.85Å; R79-L83 HydrophobicContact CG-CD1 3.83Å; R79-L83 HydrophobicContact CG-CG 4.42Å; R79-L83 VanDerWaalsContact NH1-CD1 3.34Å; R79-L83 WeakPolarHBondContact O-CB 3.36Å; R79-L83 VanDerWaalsContact O-CG 3.3Å; R79-L83 WeakPolarHBondContact O-CG 3.48Å; R79-L83 PolarHBondContact O-N 2.77Å
80	A	95.2	Very high	93.3	Very high	58 Å²	58	49.5 Å²	49.5	48%	0.479	28%	0.283	S	S	.	.	H	α-helix	trans	-58.4	-42.6	178.4	0	0	0	0	0	112	A76 S77 A78 L83 D84	A76-A80 PolarHBondContact O-N 2.86Å; A76-A80 VanDerWaalsContact O-N 3.15Å; S77-A80 PolarHBondContact O-N 3.17Å; A78-A80 VanDerWaalsContact C-N 3.32Å; A78-A80 PolarHBondContact O-N 2.91Å; A80-L83 PolarHBondContact O-N 3.37Å; A80-D84 PolarHBondContact O-N 3.41Å
81	V	94.9	Very high	93.2	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-69.6	-42.1	176.3	176.1	0	0	0	0	111.9	S77 A78 R79 L83 D84 W88 P354 Q355 P356 T359	S77-V81 PolarHBondContact O-N 3.47Å; A78-V81 PolarHBondContact O-N 2.84Å; R79-V81 VanDerWaalsContact C-N 3.31Å; R79-V81 PolarHBondContact O-N 3.14Å; V81-L83 PolarHBondContact O-N 2.9Å; V81-D84 PolarHBondContact O-N 2.85Å; V81-W88 PolarHBondContact O-NE1 2.82Å; V81-P354 HydrophobicContact CB-CB 4.09Å; V81-P354 HydrophobicContact CG1-CB 3.72Å; V81-Q355 VanDerWaalsContact CG2-C 3.49Å; V81-P356 HydrophobicContact CG2-CG 4.31Å; V81-T359 HydrophobicContact CG1-CG2 3.77Å; V81-T359 HydrophobicContact CG2-CG2 4.33Å
82	L	94.5	Very high	93.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-33.2	177.7	-70.4	175.1	0	0	0	111.8	W75 A78 R79 D84 W88 R256 L259 H260 L305 P354 P362	W75-L82 HydrophobicContact CH2-CD1 4.1Å; W75-L82 HydrophobicContact CZ3-CD1 3.84Å; A78-L82 VanDerWaalsContact O-CG 3.32Å; A78-L82 WeakPolarHBondContact O-CG 3.29Å; A78-L82 PolarHBondContact O-N 3.35Å; R79-L82 PolarHBondContact O-N 2.85Å; L82-D84 VanDerWaalsContact C-N 3.33Å; L82-W88 WeakPolarHBondContact O-CZ2 3.29Å; L82-R256 HydrophobicContact CD2-CG 3.42Å; L82-R256 VanDerWaalsContact CD2-CG 3.42Å; L82-L259 HydrophobicContact CB-CD2 3.78Å; L82-H260 PolarHBondContact O-NE2 2.91Å; L82-H260 VanDerWaalsContact O-NE2 3.12Å; L82-L305 HydrophobicContact CD1-CD1 4.1Å; L82-P354 HydrophobicContact CD2-CG 4.2Å; L82-P362 HydrophobicContact CD2-CG 4.32Å
83	L	93.8	Very high	93.1	Very high	47 Å²	47	43.7 Å²	43.7	25%	0.246	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.3	178.6	-69.6	173.7	0	0	0	114.5	P55 L60 R79 A80 V81 P85 L259	P55-L83 HydrophobicContact CB-CD2 3.64Å; P55-L83 HydrophobicContact CG-CD2 3.74Å; L60-L83 HydrophobicContact CD1-CD1 4.39Å; L60-L83 HydrophobicContact CD1-CD2 4.2Å; L60-L83 HydrophobicContact CD2-CD1 4.47Å; L60-L83 HydrophobicContact CD2-CD2 4.09Å; R79-L83 HydrophobicContact CG-CD1 3.83Å; R79-L83 HydrophobicContact CG-CG 4.42Å; R79-L83 VanDerWaalsContact NH1-CD1 3.34Å; R79-L83 WeakPolarHBondContact O-CB 3.36Å; R79-L83 VanDerWaalsContact O-CG 3.3Å; R79-L83 WeakPolarHBondContact O-CG 3.48Å; R79-L83 PolarHBondContact O-N 2.77Å; A80-L83 PolarHBondContact O-N 3.37Å; V81-L83 PolarHBondContact O-N 2.9Å; L83-P85 VanDerWaalsContact C-CD 3.43Å; L83-P85 VanDerWaalsContact O-CD 3.25Å; L83-P85 WeakPolarHBondContact O-CD 3.37Å; L83-L259 HydrophobicContact CD2-CD1 4.27Å; L83-L259 HydrophobicContact CD2-CD2 3.78Å; L83-L259 HydrophobicContact CD2-CG 4.25Å; L83-L259 HydrophobicContact CG-CD2 4.29Å
84	D	91.8	Very high	93.1	Very high	56 Å²	56	36.5 Å²	36.5	30%	0.299	21%	0.206	S	C	.	.			trans	-117.1	75.7	179.1	-169.6	41.6	0	0	0	112.6	A80 V81 L82 P86 S87	A80-D84 PolarHBondContact O-N 3.41Å; V81-D84 PolarHBondContact O-N 2.85Å; L82-D84 VanDerWaalsContact C-N 3.33Å; D84-P86 VanDerWaalsContact C-N 3.27Å; D84-P86 VanDerWaalsContact O-N 3.14Å; D84-P86 WeakPolarHBondContact OD1-CD 3.49Å; D84-S87 WeakPolarHBondContact O-CB 3.4Å; D84-S87 PolarHBondContact O-N 2.64Å; D84-S87 PolarHBondContact O-OG 2.78Å; D84-S87 VanDerWaalsContact OD2-CB 3.3Å; D84-S87 WeakPolarHBondContact OD2-CB 3.48Å
85	P	88.9	Confident	93	Very high	44 Å²	44	33.2 Å²	33.2	29%	0.286	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-50.7	-33.7	176.2	-27	33.3	0	0	0	116.4	L83 S87 W88 H260	L83-P85 VanDerWaalsContact C-CD 3.43Å; L83-P85 VanDerWaalsContact O-CD 3.25Å; L83-P85 WeakPolarHBondContact O-CD 3.37Å; P85-S87 PolarHBondContact O-N 2.89Å; P85-W88 HydrophobicContact CB-CD2 4.23Å; P85-W88 HydrophobicContact CB-CE3 4.15Å; P85-W88 HydrophobicContact CB-CH2 4.27Å; P85-W88 HydrophobicContact CB-CZ2 4.33Å; P85-W88 HydrophobicContact CB-CZ3 4.18Å; P85-W88 HydrophobicContact CG-CH2 4.1Å; P85-W88 HydrophobicContact CG-CZ2 4.06Å; P85-W88 HydrophobicContact CG-CZ3 4.47Å; P85-W88 WeakPolarHBondContact O-CB 3.45Å; P85-W88 PolarHBondContact O-N 3.07Å; P85-W88 VanDerWaalsContact O-N 3.12Å; P85-H260 WeakPolarHBondContact CG-CE1 3.34Å; P85-H260 WeakPolarHBondContact CG-NE2 3.41Å
86	P	88.4	Confident	92.8	Very high	79 Å²	79	37.7 Å²	37.7	51%	0.513	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-57.3	-27	170.9	-28	36.5	0	0	0	115.2	D84 W88 P135	D84-P86 VanDerWaalsContact C-N 3.27Å; D84-P86 VanDerWaalsContact O-N 3.14Å; D84-P86 WeakPolarHBondContact OD1-CD 3.49Å; P86-W88 VanDerWaalsContact C-N 3.29Å; P86-P135 WeakPolarHBondContact O-CB 3.36Å; P86-P135 WeakPolarHBondContact O-CG 3.44Å
87	S	86.7	Confident	92.7	Very high	21 Å²	21	37 Å²	37	15%	0.147	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-75.2	-15.5	175.8	72	0	0	0	0	113.7	D84 P85 Q89 T359	D84-S87 WeakPolarHBondContact O-CB 3.4Å; D84-S87 PolarHBondContact O-N 2.64Å; D84-S87 PolarHBondContact O-OG 2.78Å; D84-S87 VanDerWaalsContact OD2-CB 3.3Å; D84-S87 WeakPolarHBondContact OD2-CB 3.48Å; P85-S87 PolarHBondContact O-N 2.89Å; S87-Q89 PolarHBondContact O-N 2.8Å; S87-T359 PolarHBondContact O-OG1 3.41Å
88	W	87.8	Confident	92.6	Very high	46 Å²	46	36 Å²	36	17%	0.174	18%	0.183	C	C	.	.			trans	-71.7	128	-172.8	-60.9	-7.3	0	0	0	111.8	V81 L82 P85 P86 R256 H260	V81-W88 PolarHBondContact O-NE1 2.82Å; L82-W88 WeakPolarHBondContact O-CZ2 3.29Å; P85-W88 HydrophobicContact CB-CD2 4.23Å; P85-W88 HydrophobicContact CB-CE3 4.15Å; P85-W88 HydrophobicContact CB-CH2 4.27Å; P85-W88 HydrophobicContact CB-CZ2 4.33Å; P85-W88 HydrophobicContact CB-CZ3 4.18Å; P85-W88 HydrophobicContact CG-CH2 4.1Å; P85-W88 HydrophobicContact CG-CZ2 4.06Å; P85-W88 HydrophobicContact CG-CZ3 4.47Å; P85-W88 WeakPolarHBondContact O-CB 3.45Å; P85-W88 PolarHBondContact O-N 3.07Å; P85-W88 VanDerWaalsContact O-N 3.12Å; P86-W88 VanDerWaalsContact C-N 3.29Å; W88-R256 HydrophobicContact CH2-CB 3.99Å; W88-R256 HydrophobicContact CH2-CG 4.28Å; W88-R256 HydrophobicContact CZ2-CB 4.24Å; W88-R256 HydrophobicContact CZ2-CG 4.05Å; W88-H260 AromaticContact CH2-CD2 3.59Å; W88-H260 AromaticContact CH2-NE2 3.8Å; W88-H260 AromaticContact CZ2-NE2 3.79Å
89	Q	87.8	Confident	92.4	Very high	16 Å²	16	40.3 Å²	40.3	8%	0.075	21%	0.213	C	C	.	.			trans	-92.6	159.1	-179.1	-62.6	173.9	19.6	0	0	111.8	S87 P135 T359 W360	S87-Q89 PolarHBondContact O-N 2.8Å; Q89-P135 HydrophobicContact CG-CB 4.22Å; Q89-T359 WeakPolarHBondContact CG-OG1 3.45Å; Q89-T359 PolarHBondContact NE2-OG1 3.24Å; Q89-W360 HydrophobicContact CB-CE3 4.32Å; Q89-W360 HydrophobicContact CB-CH2 3.51Å; Q89-W360 HydrophobicContact CB-CZ2 3.75Å; Q89-W360 HydrophobicContact CB-CZ3 3.81Å; Q89-W360 WeakPolarHBondContact O-CZ3 3.37Å; Q89-W360 VanDerWaalsContact OE1-CZ2 3.25Å
90	Y	89.6	Confident	92.2	Very high	110 Å²	110	38 Å²	38	43%	0.431	21%	0.208	S	C	.	.			trans	-126.8	134.6	171.8	-60.4	-85.1	0	0	0	109.6	L154 W360	Y90-L154 CarbonylContact C-O 3.53Å; Y90-L154 WeakPolarHBondContact CA-O 3.3Å; Y90-W360 VanDerWaalsContact C-CH2 3.45Å
91	G	92.7	Very high	92	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	145.5	165.2	0	0	0	0	0	110.1	Y130 L153 L154	G91-Y130 CarbonylContact C-O 3.48Å; G91-Y130 WeakPolarHBondContact CA-O 3.43Å; G91-L153 WeakPolarHBondContact O-CA 3.36Å; G91-L154 PolarHBondContact N-O 2.95Å; G91-L154 PolarHBondContact O-N 2.86Å; G91-L154 VanDerWaalsContact O-N 3.14Å
92	V	94.7	Very high	91.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	96.1	175.4	-173.2	0	0	0	0	107.8	L94 L107 F112 Y130 F138 Y151 L153	V92-L94 HydrophobicContact CG1-CD2 4.48Å; V92-L107 HydrophobicContact CB-CD1 4.3Å; V92-L107 HydrophobicContact CB-CD2 4.14Å; V92-L107 HydrophobicContact CG1-CD1 3.9Å; V92-L107 HydrophobicContact CG1-CD2 4.11Å; V92-L107 HydrophobicContact CG2-CD2 3.94Å; V92-F112 HydrophobicContact CG2-CD1 4.36Å; V92-F112 HydrophobicContact CG2-CE1 3.83Å; V92-Y130 PolarHBondContact N-O 2.79Å; V92-Y130 PolarHBondContact O-N 3.35Å; V92-F138 HydrophobicContact CG1-CD1 4.39Å; V92-F138 HydrophobicContact CG1-CE1 4.32Å; V92-F138 HydrophobicContact CG2-CB 4.26Å; V92-F138 HydrophobicContact CG2-CD1 4.11Å; V92-F138 HydrophobicContact CG2-CG 4.07Å; V92-Y151 HydrophobicContact CG1-CD2 3.71Å; V92-Y151 HydrophobicContact CG1-CG 3.73Å; V92-L153 HydrophobicContact CB-CD2 4.39Å; V92-L153 HydrophobicContact CG1-CD2 4.4Å; V92-L153 HydrophobicContact CG2-CD2 3.78Å
93	M	94.6	Very high	91.8	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	111.8	175.5	179.3	180	68.4	0	0	109.8	S128 Y151 Y152 L154 L159 V185 A186 Q189	M93-S128 CarbonylContact C-O 3.52Å; M93-S128 VanDerWaalsContact CA-O 3.31Å; M93-S128 WeakPolarHBondContact CA-O 3.42Å; M93-Y151 CarbonylContact O-C 3.45Å; M93-Y151 WeakPolarHBondContact O-CA 3.26Å; M93-Y151 WeakPolarHBondContact O-CB 3.38Å; M93-Y152 HydrophobicContact CE-CG 4.34Å; M93-Y152 PolarHBondContact N-O 3.21Å; M93-Y152 PolarHBondContact O-N 3.16Å; M93-L154 HydrophobicContact CB-CD2 3.52Å; M93-L154 HydrophobicContact CE-CD2 4.5Å; M93-L159 HydrophobicContact SD-CD2 3.83Å; M93-V185 HydrophobicContact CE-CB 4.47Å; M93-V185 HydrophobicContact CE-CG1 3.78Å; M93-A186 HydrophobicContact CE-CB 3.99Å; M93-A186 HydrophobicContact SD-CB 3.74Å; M93-Q189 HydrophobicContact CE-CG 4.13Å; M93-Q189 HydrophobicContact CG-CG 4.33Å; M93-Q189 HydrophobicContact SD-CB 4.39Å; M93-Q189 HydrophobicContact SD-CG 3.98Å
94	L	94.6	Very high	91.8	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	145.4	176.8	-60.8	-173.7	0	0	0	111.5	V92 V100 I103 T104 L107 S128 Y130 Q150	V92-L94 HydrophobicContact CG1-CD2 4.48Å; L94-V100 HydrophobicContact CB-CG1 4.17Å; L94-V100 HydrophobicContact CD1-CB 4.18Å; L94-V100 HydrophobicContact CD1-CG2 4.21Å; L94-I103 HydrophobicContact CD2-CG2 3.68Å; L94-T104 VanDerWaalsContact CD1-OG1 3.25Å; L94-T104 WeakPolarHBondContact CD1-OG1 3.3Å; L94-L107 HydrophobicContact CD2-CD1 3.92Å; L94-S128 WeakPolarHBondContact CB-O 3.14Å; L94-S128 WeakPolarHBondContact CG-O 3.26Å; L94-S128 PolarHBondContact N-O 3.19Å; L94-Y130 HydrophobicContact CD1-CD2 3.98Å; L94-Y130 HydrophobicContact CD1-CE2 3.48Å; L94-Y130 VanDerWaalsContact CD1-CE2 3.48Å; L94-Y130 HydrophobicContact CG-CD2 4.06Å; L94-Y130 HydrophobicContact CG-CE2 4.06Å; L94-Q150 WeakPolarHBondContact CA-O 3.44Å
95	N	94.9	Very high	91.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.236	C	C	.	.			trans	-92.7	107.1	175.7	-178	1.6	0	0	0	110.5	F97 S98 V100 K149 Q150 Q189 F216	N95-F97 PolarHBondContact O-N 3.37Å; N95-F97 VanDerWaalsContact O-N 3.09Å; N95-F97 WeakPolarHBondContact OD1-CB 3.19Å; N95-F97 VanDerWaalsContact OD1-CD2 3.29Å; N95-F97 WeakPolarHBondContact OD1-CD2 3.47Å; N95-F97 PolarHBondContact OD1-N 2.9Å; N95-S98 PolarHBondContact O-N 3.35Å; N95-S98 PolarHBondContact O-OG 2.93Å; N95-V100 WeakPolarHBondContact O-CG1 3.38Å; N95-K149 WeakPolarHBondContact CB-O 3.38Å; N95-K149 PolarHBondContact ND2-O 3.35Å; N95-Q150 PolarHBondContact N-O 2.84Å; N95-Q189 PolarHBondContact OD1-OE1 2.85Å; N95-F216 HydrophobicContact CB-CD1 4.06Å; N95-F216 HydrophobicContact CB-CE1 4.48Å; N95-F216 PolarHBondContact ND2-O 3.3Å; N95-F216 PolarHBondContact OD1-O 3Å
96	R	93	Very high	92.1	Very high	103 Å²	103	42 Å²	42	39%	0.389	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.1	179.9	77.3	-175.6	-76.9	-170.9	-5.2	113.9	S98 Q189	R96-S98 VanDerWaalsContact C-N 3.28Å; R96-Q189 WeakPolarHBondContact CD-O 3.36Å; R96-Q189 PolarHBondContact NH1-O 3.3Å; R96-Q189 VanDerWaalsContact NH1-O 3.07Å
97	F	94	Very high	92.3	Very high	52 Å²	52	38.2 Å²	38.2	23%	0.228	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	6.5	177.5	-50.5	-59.8	0	0	0	113.3	N95 L148 M188 L217 P218 L221	N95-F97 PolarHBondContact O-N 3.37Å; N95-F97 VanDerWaalsContact O-N 3.09Å; N95-F97 WeakPolarHBondContact OD1-CB 3.19Å; N95-F97 VanDerWaalsContact OD1-CD2 3.29Å; N95-F97 WeakPolarHBondContact OD1-CD2 3.47Å; N95-F97 PolarHBondContact OD1-N 2.9Å; F97-L148 HydrophobicContact CB-CD1 4.01Å; F97-L148 WeakPolarHBondContact O-CD1 3.17Å; F97-M188 HydrophobicContact CE2-CB 4.17Å; F97-M188 WeakPolarHBondContact CE2-O 3.43Å; F97-M188 WeakPolarHBondContact CZ-O 3.45Å; F97-L217 HydrophobicContact CD2-CD2 3.97Å; F97-L217 HydrophobicContact CE2-CD2 3.62Å; F97-P218 HydrophobicContact CB-CG 4.05Å; F97-P218 HydrophobicContact CD1-CG 4.27Å; F97-P218 HydrophobicContact CG-CG 4.12Å; F97-L221 HydrophobicContact CD1-CD1 4.07Å; F97-L221 HydrophobicContact CE1-CD1 3.52Å; F97-L221 HydrophobicContact CE2-CD1 4.03Å; F97-L221 HydrophobicContact CZ-CD1 3.49Å; F97-L221 VanDerWaalsContact CZ-CD1 3.49Å
98	S	93.6	Very high	92.6	Very high	26 Å²	26	41.9 Å²	41.9	18%	0.182	22%	0.218	C	C	.	.	S	Bend	trans	-130.2	163.3	-179.3	75.8	0	0	0	0	111.5	N95 R96 V100 Q150	N95-S98 PolarHBondContact O-N 3.35Å; N95-S98 PolarHBondContact O-OG 2.93Å; R96-S98 VanDerWaalsContact C-N 3.28Å; S98-V100 PolarHBondContact O-N 2.94Å; S98-V100 WeakPolarHBondContact OG-CG1 3.36Å; S98-Q150 WeakPolarHBondContact OG-CA 3.41Å
99	S	92	Very high	92.9	Very high	91 Å²	91	44 Å²	44	64%	0.636	24%	0.24	S	C	*	.			trans	-72.6	113.8	170.9	-179.2	0	0	0	0	110	Q150	S99-Q150 PolarHBondContact O-NE2 3.35Å
100	V	92	Very high	93.1	Very high	33 Å²	33	45.3 Å²	45.3	20%	0.2	25%	0.247	C	C	.	.			trans	-111.4	-6	-175.3	-64	0	0	0	0	114.5	L94 N95 S98 A102 I103 T104	L94-V100 HydrophobicContact CB-CG1 4.17Å; L94-V100 HydrophobicContact CD1-CB 4.18Å; L94-V100 HydrophobicContact CD1-CG2 4.21Å; N95-V100 WeakPolarHBondContact O-CG1 3.38Å; S98-V100 PolarHBondContact O-N 2.94Å; S98-V100 WeakPolarHBondContact OG-CG1 3.36Å; V100-A102 VanDerWaalsContact C-N 3.29Å; V100-A102 PolarHBondContact O-N 3.01Å; V100-A102 VanDerWaalsContact O-N 3.14Å; V100-I103 HydrophobicContact CB-CG2 3.91Å; V100-I103 HydrophobicContact CG1-CG2 4.33Å; V100-I103 WeakPolarHBondContact O-CG2 3.48Å; V100-I103 PolarHBondContact O-N 3.13Å; V100-T104 PolarHBondContact O-N 3.12Å; V100-T104 PolarHBondContact O-OG1 3.44Å
101	T	91.4	Very high	93.2	Very high	91 Å²	91	42.1 Å²	42.1	56%	0.558	25%	0.247	S	C	*	.	H	α-helix	trans	-50.7	-46.3	-176.3	-47.3	0	0	0	0	113.3	Q105	T101-Q105 WeakPolarHBondContact O-CG 3.37Å; T101-Q105 PolarHBondContact O-N 3.11Å; T101-Q105 VanDerWaalsContact O-N 3.09Å
102	A	92.9	Very high	93.2	Very high	44 Å²	44	42.5 Å²	42.5	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-69	-38.1	-178.3	0	0	0	0	0	112.6	V100 I106	V100-A102 VanDerWaalsContact C-N 3.29Å; V100-A102 PolarHBondContact O-N 3.01Å; V100-A102 VanDerWaalsContact O-N 3.14Å; A102-I106 VanDerWaalsContact O-CG1 3.29Å; A102-I106 WeakPolarHBondContact O-CG1 3.1Å; A102-I106 PolarHBondContact O-N 2.81Å
103	I	93.3	Very high	93	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-74	-37.1	179.1	-165.9	66.8	0	0	0	110.9	L41 L94 V100 Q105 I106 L107 F138 Q150 Y151	L41-I103 HydrophobicContact CD2-CD1 4.09Å; L94-I103 HydrophobicContact CD2-CG2 3.68Å; V100-I103 HydrophobicContact CB-CG2 3.91Å; V100-I103 HydrophobicContact CG1-CG2 4.33Å; V100-I103 WeakPolarHBondContact O-CG2 3.48Å; V100-I103 PolarHBondContact O-N 3.13Å; I103-Q105 PolarHBondContact O-N 2.94Å; I103-I106 HydrophobicContact CD1-CB 4.47Å; I103-I106 HydrophobicContact CD1-CD1 4.28Å; I103-I106 WeakPolarHBondContact O-CB 3.41Å; I103-I106 PolarHBondContact O-N 3.27Å; I103-I106 VanDerWaalsContact O-N 3.13Å; I103-L107 HydrophobicContact CG1-CD1 4.43Å; I103-L107 VanDerWaalsContact O-CG 3.32Å; I103-L107 WeakPolarHBondContact O-CG 3.43Å; I103-L107 PolarHBondContact O-N 3.38Å; I103-F138 HydrophobicContact CD1-CE1 3.91Å; I103-F138 HydrophobicContact CD1-CZ 3.61Å; I103-F138 HydrophobicContact CG1-CE1 4.42Å; I103-F138 HydrophobicContact CG1-CZ 4.3Å; I103-Q150 HydrophobicContact CG2-CB 4.27Å; I103-Y151 HydrophobicContact CD1-CD1 4.28Å; I103-Y151 HydrophobicContact CD1-CE1 3.97Å; I103-Y151 HydrophobicContact CG1-CD1 3.83Å; I103-Y151 HydrophobicContact CG1-CE1 4.05Å
104	T	92.6	Very high	92.6	Very high	24 Å²	24	46.6 Å²	46.6	15%	0.147	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-47	173	-56.5	0	0	0	0	111.2	L94 V100 I106 L107 L108 Y130	L94-T104 VanDerWaalsContact CD1-OG1 3.25Å; L94-T104 WeakPolarHBondContact CD1-OG1 3.3Å; V100-T104 PolarHBondContact O-N 3.12Å; V100-T104 PolarHBondContact O-OG1 3.44Å; T104-I106 VanDerWaalsContact C-N 3.3Å; T104-I106 PolarHBondContact O-N 3.33Å; T104-L107 PolarHBondContact O-N 2.65Å; T104-L108 HydrophobicContact CG2-CD1 4.08Å; T104-L108 HydrophobicContact CG2-CG 4.45Å; T104-L108 WeakPolarHBondContact O-CG 3.4Å; T104-L108 PolarHBondContact O-N 3.25Å; T104-Y130 HydrophobicContact CG2-CE1 4.49Å; T104-Y130 WeakPolarHBondContact CG2-OH 3.29Å
105	Q	93.5	Very high	91.7	Very high	122 Å²	122	46.3 Å²	46.3	57%	0.57	28%	0.276	S	S	*	.	H	α-helix	trans	-60.3	-39	175.3	-73.9	175.1	-17.7	0	0	112.5	T101 I103 S109	T101-Q105 WeakPolarHBondContact O-CG 3.37Å; T101-Q105 PolarHBondContact O-N 3.11Å; T101-Q105 VanDerWaalsContact O-N 3.09Å; I103-Q105 PolarHBondContact O-N 2.94Å; Q105-S109 VanDerWaalsContact O-CB 3.3Å; Q105-S109 WeakPolarHBondContact O-CB 3.37Å; Q105-S109 PolarHBondContact O-N 3.39Å; Q105-S109 PolarHBondContact O-OG 2.96Å
106	I	93.7	Very high	90.3	Very high	11 Å²	11	46.7 Å²	46.7	6%	0.056	28%	0.278	C	S	.	.	H	α-helix	trans	-63.2	-48.3	175.8	-70.4	166.6	0	0	0	110.6	Q38 A102 I103 T104 S109 Q110	Q38-I106 HydrophobicContact CG-CD1 4.16Å; A102-I106 VanDerWaalsContact O-CG1 3.29Å; A102-I106 WeakPolarHBondContact O-CG1 3.1Å; A102-I106 PolarHBondContact O-N 2.81Å; I103-I106 HydrophobicContact CD1-CB 4.47Å; I103-I106 HydrophobicContact CD1-CD1 4.28Å; I103-I106 WeakPolarHBondContact O-CB 3.41Å; I103-I106 PolarHBondContact O-N 3.27Å; I103-I106 VanDerWaalsContact O-N 3.13Å; T104-I106 VanDerWaalsContact C-N 3.3Å; T104-I106 PolarHBondContact O-N 3.33Å; I106-S109 PolarHBondContact O-N 2.98Å; I106-S109 PolarHBondContact O-OG 2.95Å; I106-Q110 WeakPolarHBondContact O-CG 3.49Å; I106-Q110 PolarHBondContact O-N 3.21Å; I106-Q110 VanDerWaalsContact O-N 3.11Å
107	L	93.4	Very high	88.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.2	-51.5	179.2	-70.3	168.2	0	0	0	111.1	V92 L94 I103 T104 S109 Q110 G111 F112 Y130 F138	V92-L107 HydrophobicContact CB-CD1 4.3Å; V92-L107 HydrophobicContact CB-CD2 4.14Å; V92-L107 HydrophobicContact CG1-CD1 3.9Å; V92-L107 HydrophobicContact CG1-CD2 4.11Å; V92-L107 HydrophobicContact CG2-CD2 3.94Å; L94-L107 HydrophobicContact CD2-CD1 3.92Å; I103-L107 HydrophobicContact CG1-CD1 4.43Å; I103-L107 VanDerWaalsContact O-CG 3.32Å; I103-L107 WeakPolarHBondContact O-CG 3.43Å; I103-L107 PolarHBondContact O-N 3.38Å; T104-L107 PolarHBondContact O-N 2.65Å; L107-S109 VanDerWaalsContact C-N 3.34Å; L107-S109 PolarHBondContact O-N 3.34Å; L107-Q110 CarbonylContact O-C 3.39Å; L107-Q110 WeakPolarHBondContact O-CA 3.46Å; L107-Q110 PolarHBondContact O-N 3.29Å; L107-G111 PolarHBondContact O-N 3.35Å; L107-F112 HydrophobicContact CB-CB 3.94Å; L107-F112 HydrophobicContact CB-CD2 4.48Å; L107-F112 HydrophobicContact CB-CG 4.25Å; L107-F112 HydrophobicContact CD2-CB 4.37Å; L107-F112 HydrophobicContact CD2-CD1 3.9Å; L107-F112 HydrophobicContact CD2-CD2 3.93Å; L107-F112 HydrophobicContact CD2-CE1 4.13Å; L107-F112 HydrophobicContact CD2-CE2 4.16Å; L107-F112 HydrophobicContact CD2-CG 3.81Å; L107-F112 HydrophobicContact CD2-CZ 4.26Å; L107-F112 WeakPolarHBondContact O-CB 3.39Å; L107-F112 WeakPolarHBondContact O-CD2 3.37Å; L107-F112 PolarHBondContact O-N 3.13Å; L107-Y130 HydrophobicContact CB-CD1 4.32Å; L107-Y130 HydrophobicContact CB-CG 4.49Å; L107-Y130 HydrophobicContact CD1-CD1 4.5Å; L107-Y130 HydrophobicContact CD1-CD2 4.02Å; L107-Y130 HydrophobicContact CD1-CG 3.92Å; L107-F138 HydrophobicContact CD2-CD2 4.16Å; L107-F138 HydrophobicContact CD2-CE1 4.32Å; L107-F138 HydrophobicContact CD2-CE2 3.58Å; L107-F138 HydrophobicContact CD2-CZ 3.66Å; L107-F138 HydrophobicContact CG-CZ 4.32Å
108	L	92.8	Very high	86.4	Confident	98 Å²	98	49 Å²	49	51%	0.513	30%	0.298	S	S	.	.	H	α-helix	trans	-59.1	-43.7	177.8	-67.3	174	0	0	0	111.9	T104 Q110 G111 Y130	T104-L108 HydrophobicContact CG2-CD1 4.08Å; T104-L108 HydrophobicContact CG2-CG 4.45Å; T104-L108 WeakPolarHBondContact O-CG 3.4Å; T104-L108 PolarHBondContact O-N 3.25Å; L108-Q110 PolarHBondContact O-N 3.05Å; L108-Q110 VanDerWaalsContact O-N 3.17Å; L108-G111 PolarHBondContact O-N 3.45Å; L108-Y130 HydrophobicContact CD2-CE1 3.93Å; L108-Y130 HydrophobicContact CG-CE1 4.38Å
109	S	93.9	Very high	84.3	Confident	90 Å²	90	51.1 Å²	51.1	63%	0.629	31%	0.31	S	S	*	.	H	α-helix	trans	-65.4	-17.7	177.4	73.8	0	0	0	0	114.1	Q105 I106 L107	Q105-S109 VanDerWaalsContact O-CB 3.3Å; Q105-S109 WeakPolarHBondContact O-CB 3.37Å; Q105-S109 PolarHBondContact O-N 3.39Å; Q105-S109 PolarHBondContact O-OG 2.96Å; I106-S109 PolarHBondContact O-N 2.98Å; I106-S109 PolarHBondContact O-OG 2.95Å; L107-S109 VanDerWaalsContact C-N 3.34Å; L107-S109 PolarHBondContact O-N 3.34Å
110	Q	91.6	Very high	82.3	Confident	45 Å²	45	54 Å²	54	21%	0.21	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	8.4	177.1	-69.8	-179.9	18.6	0	0	112.6	I45 I106 L107 L108 F112 H132	I45-Q110 VanDerWaalsContact CD1-OE1 3.3Å; I106-Q110 WeakPolarHBondContact O-CG 3.49Å; I106-Q110 PolarHBondContact O-N 3.21Å; I106-Q110 VanDerWaalsContact O-N 3.11Å; L107-Q110 CarbonylContact O-C 3.39Å; L107-Q110 WeakPolarHBondContact O-CA 3.46Å; L107-Q110 PolarHBondContact O-N 3.29Å; L108-Q110 PolarHBondContact O-N 3.05Å; L108-Q110 VanDerWaalsContact O-N 3.17Å; Q110-F112 HydrophobicContact CB-CD2 3.96Å; Q110-F112 HydrophobicContact CB-CE2 4.15Å; Q110-H132 PolarHBondContact O-CD2 3.25Å; Q110-H132 VanDerWaalsContact O-CD2 3.28Å; Q110-H132 PolarHBondContact O-NE2 2.96Å
111	G	91.9	Very high	80.2	Confident	43 Å²	43	54.9 Å²	54.9	44%	0.443	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	14.1	177.8	0	0	0	0	0	114.6	L107 L108 H132	L107-G111 PolarHBondContact O-N 3.35Å; L108-G111 PolarHBondContact O-N 3.45Å; G111-H132 PolarHBondContact O-CD2 3.48Å
112	F	92.8	Very high	78.4	Confident	7 Å²	7	50.8 Å²	50.8	3%	0.031	30%	0.298	C	S	.	.			trans	-72.8	142.9	169.2	-73.1	-109.1	0	0	0	110.2	V92 L107 Q110 Y130 I131 H132 L136 F138	V92-F112 HydrophobicContact CG2-CD1 4.36Å; V92-F112 HydrophobicContact CG2-CE1 3.83Å; L107-F112 HydrophobicContact CB-CB 3.94Å; L107-F112 HydrophobicContact CB-CD2 4.48Å; L107-F112 HydrophobicContact CB-CG 4.25Å; L107-F112 HydrophobicContact CD2-CB 4.37Å; L107-F112 HydrophobicContact CD2-CD1 3.9Å; L107-F112 HydrophobicContact CD2-CD2 3.93Å; L107-F112 HydrophobicContact CD2-CE1 4.13Å; L107-F112 HydrophobicContact CD2-CE2 4.16Å; L107-F112 HydrophobicContact CD2-CG 3.81Å; L107-F112 HydrophobicContact CD2-CZ 4.26Å; L107-F112 WeakPolarHBondContact O-CB 3.39Å; L107-F112 WeakPolarHBondContact O-CD2 3.37Å; L107-F112 PolarHBondContact O-N 3.13Å; Q110-F112 HydrophobicContact CB-CD2 3.96Å; Q110-F112 HydrophobicContact CB-CE2 4.15Å; F112-Y130 HydrophobicContact CB-CD1 4.29Å; F112-I131 CarbonylContact C-O 3.56Å; F112-I131 WeakPolarHBondContact CA-O 3.13Å; F112-I131 WeakPolarHBondContact CB-O 3.41Å; F112-I131 VanDerWaalsContact CD1-C 3.48Å; F112-I131 WeakPolarHBondContact CD1-O 3.33Å; F112-H132 HydrophobicContact CD1-CB 3.79Å; F112-H132 HydrophobicContact CD2-CB 4.22Å; F112-H132 AromaticContact CD2-CD2 3.91Å; F112-H132 HydrophobicContact CE1-CB 3.7Å; F112-H132 HydrophobicContact CE2-CB 4.14Å; F112-H132 HydrophobicContact CG-CB 4.05Å; F112-H132 HydrophobicContact CZ-CB 3.87Å; F112-L136 HydrophobicContact CE2-CD1 4.31Å; F112-L136 HydrophobicContact CZ-CB 4.46Å; F112-F138 HydrophobicContact CE2-CD2 4.37Å; F112-F138 HydrophobicContact CZ-CD2 4.08Å
113	S	89.9	Confident	76.6	Confident	55 Å²	55	54.4 Å²	54.4	39%	0.385	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	158.3	174.7	57.6	0	0	0	0	110.7	Y130 I131	S113-Y130 CarbonylContact O-C 3.4Å; S113-Y130 VanDerWaalsContact O-CA 3.29Å; S113-Y130 WeakPolarHBondContact O-CA 3.16Å; S113-I131 PolarHBondContact N-O 3.27Å; S113-I131 PolarHBondContact O-N 3.32Å
114	S	87.6	Confident	74.9	Confident	33 Å²	33	58.1 Å²	58.1	23%	0.231	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	140.1	170.8	-175.5	0	0	0	0	110.3	H126 C129	S114-H126 PolarHBondContact OG-O 3.28Å; S114-C129 WeakPolarHBondContact CA-O 3.42Å
115	M	74.4	Confident	73.3	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	32%	0.321	C	S	.	.			trans	-88.3	-30	-173.9	-177.4	179.1	-146.9	0	0	114.6	C129 I131 A156 Y340 F341	M115-C129 PolarHBondContact N-O 3.16Å; M115-C129 VanDerWaalsContact N-O 3.16Å; M115-I131 HydrophobicContact CB-CD1 3.97Å; M115-I131 HydrophobicContact CB-CG1 3.98Å; M115-I131 HydrophobicContact CB-CG2 4Å; M115-I131 HydrophobicContact CE-CD1 4.15Å; M115-I131 HydrophobicContact CE-CG2 4.3Å; M115-I131 HydrophobicContact CG-CD1 3.85Å; M115-I131 HydrophobicContact CG-CG1 4.38Å; M115-I131 HydrophobicContact CG-CG2 4.23Å; M115-I131 HydrophobicContact SD-CD1 4.41Å; M115-I131 HydrophobicContact SD-CG2 3.77Å; M115-A156 HydrophobicContact CE-CB 3.7Å; M115-A156 HydrophobicContact SD-CB 3.44Å; M115-A156 WeakPolarHBondContact SD-CB 3.39Å; M115-Y340 VanDerWaalsContact CE-CB 3.49Å; M115-Y340 HydrophobicContact CE-CD1 4.49Å; M115-Y340 HydrophobicContact CE-CG 4.04Å; M115-Y340 HydrophobicContact CG-CD1 4.24Å; M115-Y340 HydrophobicContact CG-CD2 4.16Å; M115-Y340 HydrophobicContact CG-CG 4.01Å; M115-Y340 WeakPolarHBondContact O-CD2 3.32Å; M115-Y340 WeakPolarHBondContact O-CE2 3.41Å; M115-Y340 VanDerWaalsContact O-CZ 3.28Å; M115-F341 HydrophobicContact CE-CD1 4.33Å; M115-F341 HydrophobicContact CE-CD2 4.23Å; M115-F341 HydrophobicContact CE-CE1 3.49Å; M115-F341 VanDerWaalsContact CE-CE1 3.49Å; M115-F341 HydrophobicContact CE-CE2 3.37Å; M115-F341 HydrophobicContact CE-CZ 2.97Å; M115-F341 HydrophobicContact SD-CE2 4.19Å; M115-F341 HydrophobicContact SD-CZ 3.76Å
116	L	65.7	Low	71.5	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.042	30%	0.299	C	S	.	.			trans	-92	153.6	-165.5	-59.5	172.9	0	0	0	110.5	L125 H126 L163 L337	L116-L125 HydrophobicContact CD1-CB 3.68Å; L116-H126 HydrophobicContact CB-CB 4.34Å; L116-H126 PolarHBondContact O-CE1 2.91Å; L116-H126 PolarHBondContact O-ND1 2.83Å; L116-L163 HydrophobicContact CD1-CD1 4.38Å; L116-L163 HydrophobicContact CD1-CD2 4.36Å; L116-L163 HydrophobicContact CD2-CD1 3.68Å; L116-L337 HydrophobicContact CD2-CD1 4.47Å; L116-L337 HydrophobicContact CD2-CD2 3.95Å
117	P	54.2	Low	69.7	Low	44 Å²	44	57.1 Å²	57.1	29%	0.286	32%	0.324	S	S	.	.			trans	-81.7	158.1	167.5	30.1	-31.5	0	0	0	110.4	T119 S122 H126 P336 L337	P117-T119 PolarHBondContact O-N 3.46Å; P117-S122 WeakPolarHBondContact O-CB 3.49Å; P117-S122 PolarHBondContact O-OG 3.02Å; P117-H126 PolarHBondContact O-ND1 2.7Å; P117-P336 HydrophobicContact CG-CB 3.87Å; P117-L337 HydrophobicContact CG-CD2 4.04Å
118	Q	50.3	Low	69	Low	160 Å²	160	57.5 Å²	57.5	75%	0.748	33%	0.327	S	S	*	.			trans	-73.2	110.8	177.4	-67.5	-173.8	-3.4	0	0	109.4	H126	Q118-H126 VanDerWaalsContact CG-CE1 3.47Å; Q118-H126 WeakPolarHBondContact CG-CE1 3.32Å; Q118-H126 WeakPolarHBondContact CG-NE2 3.47Å; Q118-H126 PolarHBondContact N-CE1 3.42Å; Q118-H126 VanDerWaalsContact N-CE1 3.34Å; Q118-H126 PolarHBondContact N-ND1 3.03Å
119	T	51	Low	68.8	Low	71 Å²	71	52.9 Å²	52.9	44%	0.436	30%	0.302	S	S	.	.			trans	-138.5	158.2	166.1	70.2	0	0	0	0	108.6	P117 V121 S122 E123	P117-T119 PolarHBondContact O-N 3.46Å; T119-V121 PolarHBondContact O-N 2.98Å; T119-S122 CarbonylContact O-C 3.52Å; T119-S122 VanDerWaalsContact O-CA 3.31Å; T119-S122 WeakPolarHBondContact O-CA 3.35Å; T119-S122 VanDerWaalsContact O-CB 3.28Å; T119-S122 WeakPolarHBondContact O-CB 3.18Å; T119-S122 PolarHBondContact O-N 2.77Å; T119-S122 WeakPolarHBondContact OG1-CB 3.31Å; T119-S122 PolarHBondContact OG1-N 3.42Å; T119-E123 PolarHBondContact O-N 2.77Å
120	D	49.1	Very low	68.8	Low	151 Å²	151	49.7 Å²	49.7	81%	0.807	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-40	-171.7	-68.7	-18.3	0	0	0	114.4	S122	D120-S122 VanDerWaalsContact C-N 3.34Å
121	V	48.9	Very low	68.8	Low	52 Å²	52	48 Å²	48	32%	0.315	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-23.8	175.2	-174.4	0	0	0	0	111.2	T119 Q166	T119-V121 PolarHBondContact O-N 2.98Å; V121-Q166 HydrophobicContact CG1-CB 4.25Å; V121-Q166 HydrophobicContact CG1-CG 4.38Å; V121-Q166 HydrophobicContact CG2-CG 4.49Å
122	S	52.8	Low	68.7	Low	4 Å²	4	47 Å²	47	3%	0.028	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-28	178.8	-178.8	0	0	0	0	111.8	P117 T119 D120 L124 L125 H126	P117-S122 WeakPolarHBondContact O-CB 3.49Å; P117-S122 PolarHBondContact O-OG 3.02Å; T119-S122 CarbonylContact O-C 3.52Å; T119-S122 VanDerWaalsContact O-CA 3.31Å; T119-S122 WeakPolarHBondContact O-CA 3.35Å; T119-S122 VanDerWaalsContact O-CB 3.28Å; T119-S122 WeakPolarHBondContact O-CB 3.18Å; T119-S122 PolarHBondContact O-N 2.77Å; T119-S122 WeakPolarHBondContact OG1-CB 3.31Å; T119-S122 PolarHBondContact OG1-N 3.42Å; D120-S122 VanDerWaalsContact C-N 3.34Å; S122-L124 VanDerWaalsContact C-N 3.29Å; S122-L124 PolarHBondContact O-N 2.82Å; S122-L125 CarbonylContact O-C 3.59Å; S122-L125 WeakPolarHBondContact O-CA 3.48Å; S122-L125 PolarHBondContact O-N 2.88Å; S122-H126 WeakPolarHBondContact O-CA 3.48Å; S122-H126 WeakPolarHBondContact O-CB 3.2Å; S122-H126 PolarHBondContact O-N 3.35Å
123	E	54.6	Low	68.4	Low	120 Å²	120	50.7 Å²	50.7	56%	0.561	28%	0.278	S	S	*	.	H	α-helix	trans	-49.1	-42.8	-170.7	-72.4	-163.5	158.1	0	0	115.2	T119	T119-E123 PolarHBondContact O-N 2.77Å
124	L	58.9	Low	68.3	Low	82 Å²	82	53.9 Å²	53.9	43%	0.429	29%	0.286	S	S	.	.	H	α-helix	trans	-72	-36.6	178.8	-71.9	170.8	0	0	0	112.8	S122 S190	S122-L124 VanDerWaalsContact C-N 3.29Å; S122-L124 PolarHBondContact O-N 2.82Å; L124-S190 WeakPolarHBondContact CD1-O 3.1Å
125	L	59	Low	68.2	Low	2 Å²	2	55.1 Å²	55.1	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-81.2	-26.9	174.5	-78.2	174.6	0	0	0	112.7	L116 S122 N127 S128 C129 V162 L163 Q189 S190	L116-L125 HydrophobicContact CD1-CB 3.68Å; S122-L125 CarbonylContact O-C 3.59Å; S122-L125 WeakPolarHBondContact O-CA 3.48Å; S122-L125 PolarHBondContact O-N 2.88Å; L125-N127 VanDerWaalsContact C-N 3.27Å; L125-N127 PolarHBondContact O-N 3.11Å; L125-S128 VanDerWaalsContact CA-OG 3.32Å; L125-S128 WeakPolarHBondContact CA-OG 3.38Å; L125-S128 WeakPolarHBondContact O-CA 3.33Å; L125-S128 WeakPolarHBondContact O-CB 3.34Å; L125-S128 PolarHBondContact O-N 3.43Å; L125-S128 PolarHBondContact O-OG 3.36Å; L125-C129 PolarHBondContact O-N 3.48Å; L125-V162 HydrophobicContact CD1-CG1 4.45Å; L125-L163 HydrophobicContact CB-CD2 4.34Å; L125-L163 HydrophobicContact CD1-CD2 3.44Å; L125-L163 VanDerWaalsContact CD1-CD2 3.44Å; L125-L163 HydrophobicContact CD1-CG 4.07Å; L125-Q189 HydrophobicContact CD2-CB 4.06Å; L125-S190 VanDerWaalsContact CD1-CB 3.46Å; L125-S190 VanDerWaalsContact CG-CB 3.44Å
126	H	54.8	Low	68.7	Low	26 Å²	26	58.2 Å²	58.2	12%	0.12	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-33.8	-174.1	-179.8	90.9	0	0	0	111.7	S114 L116 P117 Q118 S122 S128	S114-H126 PolarHBondContact OG-O 3.28Å; L116-H126 HydrophobicContact CB-CB 4.34Å; L116-H126 PolarHBondContact O-CE1 2.91Å; L116-H126 PolarHBondContact O-ND1 2.83Å; P117-H126 PolarHBondContact O-ND1 2.7Å; Q118-H126 VanDerWaalsContact CG-CE1 3.47Å; Q118-H126 WeakPolarHBondContact CG-CE1 3.32Å; Q118-H126 WeakPolarHBondContact CG-NE2 3.47Å; Q118-H126 PolarHBondContact N-CE1 3.42Å; Q118-H126 VanDerWaalsContact N-CE1 3.34Å; Q118-H126 PolarHBondContact N-ND1 3.03Å; S122-H126 WeakPolarHBondContact O-CA 3.48Å; S122-H126 WeakPolarHBondContact O-CB 3.2Å; S122-H126 PolarHBondContact O-N 3.35Å; H126-S128 VanDerWaalsContact C-N 3.32Å
127	N	56.8	Low	69.5	Low	108 Å²	108	63.2 Å²	63.2	58%	0.578	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	7.8	175	-66.1	-42.1	0	0	0	113	L125	L125-N127 VanDerWaalsContact C-N 3.27Å; L125-N127 PolarHBondContact O-N 3.11Å
128	S	76.8	Confident	71.1	Confident	8 Å²	8	61.9 Å²	61.9	6%	0.056	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-29.1	-171.6	81.5	0	0	0	0	114.1	M93 L94 L125 H126	M93-S128 CarbonylContact C-O 3.52Å; M93-S128 VanDerWaalsContact CA-O 3.31Å; M93-S128 WeakPolarHBondContact CA-O 3.42Å; L94-S128 WeakPolarHBondContact CB-O 3.14Å; L94-S128 WeakPolarHBondContact CG-O 3.26Å; L94-S128 PolarHBondContact N-O 3.19Å; L125-S128 VanDerWaalsContact CA-OG 3.32Å; L125-S128 WeakPolarHBondContact CA-OG 3.38Å; L125-S128 WeakPolarHBondContact O-CA 3.33Å; L125-S128 WeakPolarHBondContact O-CB 3.34Å; L125-S128 PolarHBondContact O-N 3.43Å; L125-S128 PolarHBondContact O-OG 3.36Å; H126-S128 VanDerWaalsContact C-N 3.32Å
129	C	90.3	Very high	72.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.6	-175.3	-166.5	0	0	0	0	113.6	S114 M115 L125 L159	S114-C129 WeakPolarHBondContact CA-O 3.42Å; M115-C129 PolarHBondContact N-O 3.16Å; M115-C129 VanDerWaalsContact N-O 3.16Å; L125-C129 PolarHBondContact O-N 3.48Å; C129-L159 HydrophobicContact CB-CD1 3.69Å; C129-L159 VanDerWaalsContact SG-CD1 3.53Å
130	Y	92.3	Very high	74.6	Confident	24 Å²	24	56.9 Å²	56.9	9%	0.094	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.9	178.9	-72.4	-99.4	0	0	0	111.2	G91 V92 L94 T104 L107 L108 F112 S113	G91-Y130 CarbonylContact C-O 3.48Å; G91-Y130 WeakPolarHBondContact CA-O 3.43Å; V92-Y130 PolarHBondContact N-O 2.79Å; V92-Y130 PolarHBondContact O-N 3.35Å; L94-Y130 HydrophobicContact CD1-CD2 3.98Å; L94-Y130 HydrophobicContact CD1-CE2 3.48Å; L94-Y130 VanDerWaalsContact CD1-CE2 3.48Å; L94-Y130 HydrophobicContact CG-CD2 4.06Å; L94-Y130 HydrophobicContact CG-CE2 4.06Å; T104-Y130 HydrophobicContact CG2-CE1 4.49Å; T104-Y130 WeakPolarHBondContact CG2-OH 3.29Å; L107-Y130 HydrophobicContact CB-CD1 4.32Å; L107-Y130 HydrophobicContact CB-CG 4.49Å; L107-Y130 HydrophobicContact CD1-CD1 4.5Å; L107-Y130 HydrophobicContact CD1-CD2 4.02Å; L107-Y130 HydrophobicContact CD1-CG 3.92Å; L108-Y130 HydrophobicContact CD2-CE1 3.93Å; L108-Y130 HydrophobicContact CG-CE1 4.38Å; F112-Y130 HydrophobicContact CB-CD1 4.29Å; S113-Y130 CarbonylContact O-C 3.4Å; S113-Y130 VanDerWaalsContact O-CA 3.29Å; S113-Y130 WeakPolarHBondContact O-CA 3.16Å
131	I	91.8	Very high	76.5	Confident	10 Å²	10	50.9 Å²	50.9	5%	0.051	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	165.2	175.5	60.5	166.3	0	0	0	110.2	F112 S113 M115 A156 Y340 W360	F112-I131 CarbonylContact C-O 3.56Å; F112-I131 WeakPolarHBondContact CA-O 3.13Å; F112-I131 WeakPolarHBondContact CB-O 3.41Å; F112-I131 VanDerWaalsContact CD1-C 3.48Å; F112-I131 WeakPolarHBondContact CD1-O 3.33Å; S113-I131 PolarHBondContact N-O 3.27Å; S113-I131 PolarHBondContact O-N 3.32Å; M115-I131 HydrophobicContact CB-CD1 3.97Å; M115-I131 HydrophobicContact CB-CG1 3.98Å; M115-I131 HydrophobicContact CB-CG2 4Å; M115-I131 HydrophobicContact CE-CD1 4.15Å; M115-I131 HydrophobicContact CE-CG2 4.3Å; M115-I131 HydrophobicContact CG-CD1 3.85Å; M115-I131 HydrophobicContact CG-CG1 4.38Å; M115-I131 HydrophobicContact CG-CG2 4.23Å; M115-I131 HydrophobicContact SD-CD1 4.41Å; M115-I131 HydrophobicContact SD-CG2 3.77Å; I131-A156 HydrophobicContact CG2-CB 4.19Å; I131-Y340 HydrophobicContact CD1-CD1 3.36Å; I131-Y340 HydrophobicContact CD1-CE1 3.64Å; I131-Y340 HydrophobicContact CD1-CG 4.3Å; I131-W360 HydrophobicContact CB-CZ2 4.02Å; I131-W360 HydrophobicContact CG2-CH2 3.91Å; I131-W360 HydrophobicContact CG2-CZ2 3.61Å
132	H	91.6	Very high	78.4	Confident	22 Å²	22	52.9 Å²	52.9	10%	0.102	28%	0.284	C	S	.	.			trans	-127.7	139	176.3	-171.8	-87.3	0	0	0	109.2	Q110 G111 F112 H134 L136	Q110-H132 PolarHBondContact O-CD2 3.25Å; Q110-H132 VanDerWaalsContact O-CD2 3.28Å; Q110-H132 PolarHBondContact O-NE2 2.96Å; G111-H132 PolarHBondContact O-CD2 3.48Å; F112-H132 HydrophobicContact CD1-CB 3.79Å; F112-H132 HydrophobicContact CD2-CB 4.22Å; F112-H132 AromaticContact CD2-CD2 3.91Å; F112-H132 HydrophobicContact CE1-CB 3.7Å; F112-H132 HydrophobicContact CE2-CB 4.14Å; F112-H132 HydrophobicContact CG-CB 4.05Å; F112-H132 HydrophobicContact CZ-CB 3.87Å; H132-H134 AromaticContact CE1-CD2 3.7Å; H132-H134 AromaticContact CE1-CG 4Å; H132-H134 PolarHBondContact ND1-N 2.83Å; H132-H134 PolarHBondContact ND1-O 3.47Å; H132-H134 PolarHBondContact O-N 3.35Å; H132-H134 VanDerWaalsContact O-N 3.14Å; H132-L136 WeakPolarHBondContact CE1-CD1 3.49Å; H132-L136 WeakPolarHBondContact ND1-CD1 3.31Å; H132-L136 WeakPolarHBondContact NE2-CD1 3.48Å
133	P	85.9	Confident	80.2	Confident	84 Å²	84	55.7 Å²	55.7	55%	0.545	30%	0.297	S	S	.	.	S	Bend	trans	-64	-19.6	-177.9	24.9	-35.5	0	0	0	113.7
134	H	86.8	Confident	82	Confident	121 Å²	121	56.6 Å²	56.6	56%	0.56	30%	0.295	S	S	*	.	S	Bend	trans	-113.6	152	175.8	-53.3	-52.3	0	0	0	111.6	H132 L136	H132-H134 AromaticContact CE1-CD2 3.7Å; H132-H134 AromaticContact CE1-CG 4Å; H132-H134 PolarHBondContact ND1-N 2.83Å; H132-H134 PolarHBondContact ND1-O 3.47Å; H132-H134 PolarHBondContact O-N 3.35Å; H132-H134 VanDerWaalsContact O-N 3.14Å; H134-L136 PolarHBondContact O-N 3.47Å
135	P	85.1	Confident	83.3	Confident	60 Å²	60	57.7 Å²	57.7	39%	0.39	31%	0.307	S	S	.	.			trans	-71.7	76.2	-179.6	31.4	-36.8	0	0	0	111.8	P86 Q89	P86-P135 WeakPolarHBondContact O-CB 3.36Å; P86-P135 WeakPolarHBondContact O-CG 3.44Å; Q89-P135 HydrophobicContact CG-CB 4.22Å
136	L	86.1	Confident	84.6	Confident	65 Å²	65	61.7 Å²	61.7	34%	0.34	35%	0.349	S	S	.	.			trans	-85.8	137.1	174.2	-67.5	-173.4	0	0	0	110.4	F112 H132 H134	F112-L136 HydrophobicContact CE2-CD1 4.31Å; F112-L136 HydrophobicContact CZ-CB 4.46Å; H132-L136 WeakPolarHBondContact CE1-CD1 3.49Å; H132-L136 WeakPolarHBondContact ND1-CD1 3.31Å; H132-L136 WeakPolarHBondContact NE2-CD1 3.48Å; H134-L136 PolarHBondContact O-N 3.47Å
137	R	82.4	Confident	86.5	Confident	114 Å²	114	65.2 Å²	65.2	43%	0.43	37%	0.365	S	S	.	.			trans	-82.1	125.7	171.3	-69.3	-170.7	179.3	168.7	6.4	109.7	T48	T48-R137 PolarHBondContact O-NH1 3.43Å; T48-R137 PolarHBondContact OG1-NH1 2.82Å
138	F	86.9	Confident	88.3	Confident	16 Å²	16	62.1 Å²	62.1	7%	0.07	35%	0.349	C	S	.	.			trans	-105.2	141.4	168.8	-149.4	-103.8	0	0	0	109.9	L41 V92 I103 L107 F112 S140 Y151 L153	L41-F138 HydrophobicContact CD2-CE1 4.41Å; L41-F138 HydrophobicContact CD2-CZ 4.33Å; V92-F138 HydrophobicContact CG1-CD1 4.39Å; V92-F138 HydrophobicContact CG1-CE1 4.32Å; V92-F138 HydrophobicContact CG2-CB 4.26Å; V92-F138 HydrophobicContact CG2-CD1 4.11Å; V92-F138 HydrophobicContact CG2-CG 4.07Å; I103-F138 HydrophobicContact CD1-CE1 3.91Å; I103-F138 HydrophobicContact CD1-CZ 3.61Å; I103-F138 HydrophobicContact CG1-CE1 4.42Å; I103-F138 HydrophobicContact CG1-CZ 4.3Å; L107-F138 HydrophobicContact CD2-CD2 4.16Å; L107-F138 HydrophobicContact CD2-CE1 4.32Å; L107-F138 HydrophobicContact CD2-CE2 3.58Å; L107-F138 HydrophobicContact CD2-CZ 3.66Å; L107-F138 HydrophobicContact CG-CZ 4.32Å; F112-F138 HydrophobicContact CE2-CD2 4.37Å; F112-F138 HydrophobicContact CZ-CD2 4.08Å; F138-S140 PolarHBondContact O-N 2.76Å; F138-Y151 HydrophobicContact CD1-CD2 4.12Å; F138-Y151 HydrophobicContact CD1-CE1 4.47Å; F138-Y151 AromaticContact CD1-CE2 3.43Å; F138-Y151 HydrophobicContact CD1-CE2 3.43Å; F138-Y151 VanDerWaalsContact CD1-CE2 3.43Å; F138-Y151 AromaticContact CD1-CZ 3.65Å; F138-Y151 HydrophobicContact CE1-CD1 4.31Å; F138-Y151 HydrophobicContact CE1-CD2 4.16Å; F138-Y151 AromaticContact CE1-CE1 3.78Å; F138-Y151 HydrophobicContact CE1-CE1 3.78Å; F138-Y151 AromaticContact CE1-CE2 3.58Å; F138-Y151 HydrophobicContact CE1-CE2 3.58Å; F138-Y151 HydrophobicContact CE1-CG 4.5Å; F138-Y151 AromaticContact CE1-CZ 3.38Å; F138-L153 HydrophobicContact CB-CD1 4.41Å; F138-L153 HydrophobicContact CB-CD2 3.97Å; F138-L153 HydrophobicContact CD1-CD2 4.1Å; F138-L153 HydrophobicContact CG-CD2 4.47Å; F138-L153 VanDerWaalsContact O-CD1 3.24Å; F138-L153 WeakPolarHBondContact O-CD1 3.47Å
139	P	89.5	Confident	89.3	Confident	32 Å²	32	63.5 Å²	63.5	21%	0.208	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-66.8	133	-177.3	24.3	-32.4	0	0	0	111.1	L41 Y151	L41-P139 HydrophobicContact CD2-CG 3.59Å; L41-P139 HydrophobicContact CG-CG 4.09Å; P139-Y151 VanDerWaalsContact O-CE2 3.22Å; P139-Y151 WeakPolarHBondContact O-CE2 3.34Å; P139-Y151 PolarHBondContact O-OH 3.38Å
140	S	86.8	Confident	89.5	Confident	93 Å²	93	66.9 Å²	66.9	65%	0.65	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-74.9	125.9	172.4	-174.3	0	0	0	0	110.2	F138	F138-S140 PolarHBondContact O-N 2.76Å
141	P	88.4	Confident	89.7	Confident	26 Å²	26	66.2 Å²	66.2	17%	0.169	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-72.4	130.9	177.6	18.4	-15.3	0	0	0	110.4	K149 Y151	P141-K149 HydrophobicContact CB-CB 4.37Å; P141-K149 HydrophobicContact CB-CD 4.06Å; P141-K149 HydrophobicContact CB-CG 4.08Å; P141-K149 HydrophobicContact CG-CB 4.28Å; P141-K149 HydrophobicContact CG-CD 4.02Å; P141-K149 HydrophobicContact CG-CG 4.33Å; P141-K149 WeakPolarHBondContact O-CE 3.32Å; P141-K149 PolarHBondContact O-NZ 3.44Å; P141-Y151 VanDerWaalsContact CD-CE2 3.48Å; P141-Y151 HydrophobicContact CG-CD2 4.09Å; P141-Y151 HydrophobicContact CG-CE1 4.28Å; P141-Y151 HydrophobicContact CG-CE2 3.71Å; P141-Y151 VanDerWaalsContact CG-O 3.26Å; P141-Y151 WeakPolarHBondContact CG-O 3.38Å
142	T	89.5	Confident	89.8	Confident	93 Å²	93	68 Å²	68	57%	0.571	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-73.2	142.3	176	55.5	0	0	0	0	110.5	K149	T142-K149 VanDerWaalsContact C-CE 3.47Å
143	H	90.1	Very high	90	Very high	64 Å²	64	68.7 Å²	68.7	30%	0.296	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-62.9	140.2	169.9	166.8	-104	0	0	0	110.2	K149 E214 S215	H143-K149 VanDerWaalsContact CA-CE 3.48Å; H143-K149 VanDerWaalsContact N-CE 3.33Å; H143-E214 IonicContact CD2-OE2 2.72Å; H143-E214 IonicContact CE1-OE2 3.39Å; H143-E214 PolarHBondContact CE1-OE2 3.23Å; H143-E214 IonicContact NE2-OE2 2.63Å; H143-E214 PolarHBondContact NE2-OE2 3.04Å; H143-S215 PolarHBondContact CD2-OG 2.69Å
144	R	91.1	Very high	90.3	Very high	139 Å²	139	65.5 Å²	65.5	53%	0.525	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-141.9	117.2	176.4	-71	178.6	-176.9	-98.7	-6	106.9	G146 Q147	R144-G146 PolarHBondContact O-N 2.86Å; R144-Q147 HydrophobicContact CB-CB 4.04Å; R144-Q147 PolarHBondContact O-N 2.83Å
145	P	87.4	Confident	90.6	Very high	104 Å²	104	61.4 Å²	61.4	68%	0.675	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	134.6	179	-28.3	35.2	0	0	0	111.8	Q147	P145-Q147 PolarHBondContact O-N 2.77Å
146	G	87.2	Confident	91	Very high	87 Å²	87	58.6 Å²	58.6	90%	0.897	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	0.2	-179	0	0	0	0	0	115.8	R144	R144-G146 PolarHBondContact O-N 2.86Å
147	Q	93.1	Very high	91.4	Very high	99 Å²	99	55.5 Å²	55.5	46%	0.463	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-120.8	119.3	177.8	-175.9	176.7	11.9	0	0	111.4	R144 P145	R144-Q147 HydrophobicContact CB-CB 4.04Å; R144-Q147 PolarHBondContact O-N 2.83Å; P145-Q147 PolarHBondContact O-N 2.77Å
148	L	96.3	Very high	92	Very high	44 Å²	44	51.3 Å²	51.3	23%	0.23	29%	0.291	C	S	.	.			trans	-70.6	136.4	174.4	-57.2	-176.1	0	0	0	111.1	F97 S215 L217 P218	F97-L148 HydrophobicContact CB-CD1 4.01Å; F97-L148 WeakPolarHBondContact O-CD1 3.17Å; L148-S215 CarbonylContact C-O 3.56Å; L148-S215 WeakPolarHBondContact CA-O 3.4Å; L148-L217 WeakPolarHBondContact CD2-O 3.24Å; L148-P218 HydrophobicContact CD1-CB 4.11Å
149	K	96.1	Very high	92.4	Very high	36 Å²	36	50.6 Å²	50.6	16%	0.157	29%	0.289	C	S	.	.			trans	-71.8	142.1	169.4	-66	-178.9	-175.8	-172.6	0	109.2	N95 P141 T142 H143 S215 F216	N95-K149 WeakPolarHBondContact CB-O 3.38Å; N95-K149 PolarHBondContact ND2-O 3.35Å; P141-K149 HydrophobicContact CB-CB 4.37Å; P141-K149 HydrophobicContact CB-CD 4.06Å; P141-K149 HydrophobicContact CB-CG 4.08Å; P141-K149 HydrophobicContact CG-CB 4.28Å; P141-K149 HydrophobicContact CG-CD 4.02Å; P141-K149 HydrophobicContact CG-CG 4.33Å; P141-K149 WeakPolarHBondContact O-CE 3.32Å; P141-K149 PolarHBondContact O-NZ 3.44Å; T142-K149 VanDerWaalsContact C-CE 3.47Å; H143-K149 VanDerWaalsContact CA-CE 3.48Å; H143-K149 VanDerWaalsContact N-CE 3.33Å; K149-S215 WeakPolarHBondContact CE-OG 3.37Å; K149-S215 PolarHBondContact N-O 2.9Å; K149-F216 HydrophobicContact CB-CD1 4.26Å; K149-F216 HydrophobicContact CB-CE1 3.7Å; K149-F216 HydrophobicContact CB-CE2 4.26Å; K149-F216 HydrophobicContact CB-CZ 3.69Å; K149-F216 HydrophobicContact CD-CE1 4.48Å; K149-F216 HydrophobicContact CD-CE2 3.64Å; K149-F216 HydrophobicContact CD-CZ 3.62Å; K149-F216 HydrophobicContact CG-CE2 4.48Å; K149-F216 HydrophobicContact CG-CZ 4.28Å
150	Q	95.3	Very high	92.7	Very high	71 Å²	71	49.1 Å²	49.1	33%	0.332	28%	0.279	S	S	.	.	S	Bend	trans	-78.8	-21	-179.3	-70.7	177.1	-14	0	0	113.7	L94 N95 S98 S99 I103	L94-Q150 WeakPolarHBondContact CA-O 3.44Å; N95-Q150 PolarHBondContact N-O 2.84Å; S98-Q150 WeakPolarHBondContact OG-CA 3.41Å; S99-Q150 PolarHBondContact O-NE2 3.35Å; I103-Q150 HydrophobicContact CG2-CB 4.27Å
151	Y	95.6	Very high	93.2	Very high	11 Å²	11	44.7 Å²	44.7	4%	0.043	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	158.1	-177.6	60	-87.8	0	0	0	111.9	V92 M93 I103 F138 P139 P141 L153 F216	V92-Y151 HydrophobicContact CG1-CD2 3.71Å; V92-Y151 HydrophobicContact CG1-CG 3.73Å; M93-Y151 CarbonylContact O-C 3.45Å; M93-Y151 WeakPolarHBondContact O-CA 3.26Å; M93-Y151 WeakPolarHBondContact O-CB 3.38Å; I103-Y151 HydrophobicContact CD1-CD1 4.28Å; I103-Y151 HydrophobicContact CD1-CE1 3.97Å; I103-Y151 HydrophobicContact CG1-CD1 3.83Å; I103-Y151 HydrophobicContact CG1-CE1 4.05Å; F138-Y151 HydrophobicContact CD1-CD2 4.12Å; F138-Y151 HydrophobicContact CD1-CE1 4.47Å; F138-Y151 AromaticContact CD1-CE2 3.43Å; F138-Y151 HydrophobicContact CD1-CE2 3.43Å; F138-Y151 VanDerWaalsContact CD1-CE2 3.43Å; F138-Y151 AromaticContact CD1-CZ 3.65Å; F138-Y151 HydrophobicContact CE1-CD1 4.31Å; F138-Y151 HydrophobicContact CE1-CD2 4.16Å; F138-Y151 AromaticContact CE1-CE1 3.78Å; F138-Y151 HydrophobicContact CE1-CE1 3.78Å; F138-Y151 AromaticContact CE1-CE2 3.58Å; F138-Y151 HydrophobicContact CE1-CE2 3.58Å; F138-Y151 HydrophobicContact CE1-CG 4.5Å; F138-Y151 AromaticContact CE1-CZ 3.38Å; P139-Y151 VanDerWaalsContact O-CE2 3.22Å; P139-Y151 WeakPolarHBondContact O-CE2 3.34Å; P139-Y151 PolarHBondContact O-OH 3.38Å; P141-Y151 VanDerWaalsContact CD-CE2 3.48Å; P141-Y151 HydrophobicContact CG-CD2 4.09Å; P141-Y151 HydrophobicContact CG-CE1 4.28Å; P141-Y151 HydrophobicContact CG-CE2 3.71Å; P141-Y151 VanDerWaalsContact CG-O 3.26Å; P141-Y151 WeakPolarHBondContact CG-O 3.38Å; Y151-L153 HydrophobicContact CD2-CD2 3.88Å; Y151-L153 HydrophobicContact CD2-CG 4.25Å; Y151-L153 HydrophobicContact CE2-CD2 3.94Å; Y151-L153 HydrophobicContact CE2-CG 4.14Å; Y151-F216 VanDerWaalsContact C-CE1 3.48Å; Y151-F216 WeakPolarHBondContact O-CE1 3.42Å; Y151-F216 VanDerWaalsContact O-CZ 3.31Å; Y151-F216 WeakPolarHBondContact O-CZ 3.32Å
152	Y	94.9	Very high	93.5	Very high	47 Å²	47	43.6 Å²	43.6	18%	0.184	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.1	174.1	-166.9	-80.8	0	0	0	109.1	M93 L154 T212 F216	M93-Y152 HydrophobicContact CE-CG 4.34Å; M93-Y152 PolarHBondContact N-O 3.21Å; M93-Y152 PolarHBondContact O-N 3.16Å; Y152-L154 HydrophobicContact CD1-CB 3.94Å; Y152-L154 HydrophobicContact CD1-CD2 3.82Å; Y152-L154 HydrophobicContact CD1-CG 4.47Å; Y152-L154 HydrophobicContact CE1-CB 3.96Å; Y152-T212 HydrophobicContact CE2-CG2 4.04Å; Y152-F216 HydrophobicContact CD2-CD2 4.2Å; Y152-F216 HydrophobicContact CD2-CE1 4.24Å; Y152-F216 AromaticContact CD2-CE2 3.45Å; Y152-F216 HydrophobicContact CD2-CE2 3.45Å; Y152-F216 VanDerWaalsContact CD2-CE2 3.45Å; Y152-F216 AromaticContact CD2-CZ 3.47Å; Y152-F216 HydrophobicContact CD2-CZ 3.47Å; Y152-F216 VanDerWaalsContact CD2-CZ 3.47Å; Y152-F216 HydrophobicContact CE2-CE2 4.15Å; Y152-F216 HydrophobicContact CG-CE2 4.43Å; Y152-F216 HydrophobicContact CG-CZ 4.04Å
153	L	94.7	Very high	93.7	Very high	36 Å²	36	40 Å²	40	19%	0.188	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.1	174.7	-60.5	-178.5	0	0	0	109.8	G91 V92 F138 Y151	G91-L153 WeakPolarHBondContact O-CA 3.36Å; V92-L153 HydrophobicContact CB-CD2 4.39Å; V92-L153 HydrophobicContact CG1-CD2 4.4Å; V92-L153 HydrophobicContact CG2-CD2 3.78Å; F138-L153 HydrophobicContact CB-CD1 4.41Å; F138-L153 HydrophobicContact CB-CD2 3.97Å; F138-L153 HydrophobicContact CD1-CD2 4.1Å; F138-L153 HydrophobicContact CG-CD2 4.47Å; F138-L153 VanDerWaalsContact O-CD1 3.24Å; F138-L153 WeakPolarHBondContact O-CD1 3.47Å; Y151-L153 HydrophobicContact CD2-CD2 3.88Å; Y151-L153 HydrophobicContact CD2-CG 4.25Å; Y151-L153 HydrophobicContact CE2-CD2 3.94Å; Y151-L153 HydrophobicContact CE2-CG 4.14Å
154	L	92.9	Very high	94	Very high	18 Å²	18	37 Å²	37	9%	0.094	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	165.1	-176.8	60.6	149.9	0	0	0	111.9	Y90 G91 M93 Y152 A156 L159	Y90-L154 CarbonylContact C-O 3.53Å; Y90-L154 WeakPolarHBondContact CA-O 3.3Å; G91-L154 PolarHBondContact N-O 2.95Å; G91-L154 PolarHBondContact O-N 2.86Å; G91-L154 VanDerWaalsContact O-N 3.14Å; M93-L154 HydrophobicContact CB-CD2 3.52Å; M93-L154 HydrophobicContact CE-CD2 4.5Å; Y152-L154 HydrophobicContact CD1-CB 3.94Å; Y152-L154 HydrophobicContact CD1-CD2 3.82Å; Y152-L154 HydrophobicContact CD1-CG 4.47Å; Y152-L154 HydrophobicContact CE1-CB 3.96Å; L154-A156 PolarHBondContact O-N 3.23Å; L154-L159 HydrophobicContact CD1-CD1 4.18Å; L154-L159 HydrophobicContact CD1-CD2 3.52Å; L154-L159 HydrophobicContact CD1-CG 3.53Å
155	N	93.4	Very high	94.2	Very high	35 Å²	35	30.4 Å²	30.4	19%	0.187	18%	0.179	C	C	.	.			trans	-70.8	120.7	159	-178.3	-29.8	0	0	0	107.2	A157 S158 G361	N155-A157 PolarHBondContact O-N 2.8Å; N155-A157 VanDerWaalsContact O-N 3.12Å; N155-A157 WeakPolarHBondContact OD1-CB 3.44Å; N155-A157 PolarHBondContact OD1-N 2.88Å; N155-A157 VanDerWaalsContact OD1-N 3.13Å; N155-S158 WeakPolarHBondContact O-CB 3.16Å; N155-S158 PolarHBondContact O-N 3.14Å; N155-S158 PolarHBondContact O-OG 2.72Å; N155-G361 PolarHBondContact ND2-N 3.33Å; N155-G361 PolarHBondContact ND2-O 2.85Å; N155-G361 PolarHBondContact OD1-N 2.77Å
156	A	93.1	Very high	94.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-62.1	-25	-172.4	0	0	0	0	0	113.5	M115 I131 L154 S158 L159 F341 W360	M115-A156 HydrophobicContact CE-CB 3.7Å; M115-A156 HydrophobicContact SD-CB 3.44Å; M115-A156 WeakPolarHBondContact SD-CB 3.39Å; I131-A156 HydrophobicContact CG2-CB 4.19Å; L154-A156 PolarHBondContact O-N 3.23Å; A156-S158 PolarHBondContact O-N 2.92Å; A156-S158 VanDerWaalsContact O-N 3.14Å; A156-L159 WeakPolarHBondContact O-CB 3.45Å; A156-L159 PolarHBondContact O-N 3.28Å; A156-F341 HydrophobicContact CB-CE1 4.45Å; A156-F341 HydrophobicContact CB-CZ 4.39Å; A156-W360 HydrophobicContact CB-CD2 3.81Å; A156-W360 HydrophobicContact CB-CE3 3.6Å; A156-W360 HydrophobicContact CB-CH2 3.68Å; A156-W360 HydrophobicContact CB-CZ2 3.9Å; A156-W360 HydrophobicContact CB-CZ3 3.53Å
157	A	94.9	Very high	95	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-61.3	-22.2	172	0	0	0	0	0	112.6	N155 L159 L160 P161 F341 V352 W360 M363	N155-A157 PolarHBondContact O-N 2.8Å; N155-A157 VanDerWaalsContact O-N 3.12Å; N155-A157 WeakPolarHBondContact OD1-CB 3.44Å; N155-A157 PolarHBondContact OD1-N 2.88Å; N155-A157 VanDerWaalsContact OD1-N 3.13Å; A157-L159 PolarHBondContact O-N 2.6Å; A157-L160 WeakPolarHBondContact O-CB 3.26Å; A157-L160 WeakPolarHBondContact O-CG 3.45Å; A157-L160 PolarHBondContact O-N 3.01Å; A157-L160 VanDerWaalsContact O-N 3.1Å; A157-P161 WeakPolarHBondContact O-CD 3.14Å; A157-F341 HydrophobicContact CB-CD1 4.21Å; A157-F341 HydrophobicContact CB-CE1 3.78Å; A157-V352 HydrophobicContact CB-CB 4.5Å; A157-V352 HydrophobicContact CB-CG1 4.28Å; A157-V352 HydrophobicContact CB-CG2 4.39Å; A157-W360 HydrophobicContact CB-CB 4.12Å; A157-M363 HydrophobicContact CB-CB 3.8Å; A157-M363 HydrophobicContact CB-CG 4.37Å; A157-M363 WeakPolarHBondContact O-CG 3.38Å
158	S	95	Very high	95	Very high	26 Å²	26	26.4 Å²	26.4	18%	0.182	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-68	-10.5	175.3	-57.8	0	0	0	0	113.9	N155 A156	N155-S158 WeakPolarHBondContact O-CB 3.16Å; N155-S158 PolarHBondContact O-N 3.14Å; N155-S158 PolarHBondContact O-OG 2.72Å; A156-S158 PolarHBondContact O-N 2.92Å; A156-S158 VanDerWaalsContact O-N 3.14Å
159	L	94.8	Very high	95	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-82.4	-22.1	171.2	-61.9	178.8	0	0	0	112.7	M93 C129 L154 A156 A157 V162 L163 A186	M93-L159 HydrophobicContact SD-CD2 3.83Å; C129-L159 HydrophobicContact CB-CD1 3.69Å; C129-L159 VanDerWaalsContact SG-CD1 3.53Å; L154-L159 HydrophobicContact CD1-CD1 4.18Å; L154-L159 HydrophobicContact CD1-CD2 3.52Å; L154-L159 HydrophobicContact CD1-CG 3.53Å; A156-L159 WeakPolarHBondContact O-CB 3.45Å; A156-L159 PolarHBondContact O-N 3.28Å; A157-L159 PolarHBondContact O-N 2.6Å; L159-V162 WeakPolarHBondContact O-CB 3.35Å; L159-V162 PolarHBondContact O-N 2.81Å; L159-L163 HydrophobicContact CB-CD1 4.48Å; L159-L163 WeakPolarHBondContact O-CG 3.26Å; L159-L163 PolarHBondContact O-N 3.4Å; L159-A186 HydrophobicContact CD2-CB 3.76Å
160	L	95.4	Very high	95	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-42.4	-175.4	-55.6	-176.6	0	0	0	112.9	A157 V162 L163 A164 I333 L337 F341 V352 L365	A157-L160 WeakPolarHBondContact O-CB 3.26Å; A157-L160 WeakPolarHBondContact O-CG 3.45Å; A157-L160 PolarHBondContact O-N 3.01Å; A157-L160 VanDerWaalsContact O-N 3.1Å; L160-V162 VanDerWaalsContact C-N 3.26Å; L160-V162 PolarHBondContact O-N 3.42Å; L160-L163 HydrophobicContact CD2-CD1 4.22Å; L160-L163 PolarHBondContact O-N 3.24Å; L160-A164 WeakPolarHBondContact O-CB 3.1Å; L160-A164 PolarHBondContact O-N 3.13Å; L160-I333 HydrophobicContact CD1-CG2 4.45Å; L160-I333 HydrophobicContact CD2-CG2 4Å; L160-L337 HydrophobicContact CD2-CD1 3.47Å; L160-L337 VanDerWaalsContact CD2-CD1 3.47Å; L160-F341 HydrophobicContact CD1-CD1 4.48Å; L160-F341 HydrophobicContact CD1-CD2 4.29Å; L160-F341 HydrophobicContact CD1-CE1 4.44Å; L160-F341 HydrophobicContact CD1-CE2 4.25Å; L160-F341 HydrophobicContact CD1-CG 4.39Å; L160-F341 HydrophobicContact CD1-CZ 4.28Å; L160-F341 HydrophobicContact CD2-CD2 4.34Å; L160-F341 HydrophobicContact CD2-CE2 3.69Å; L160-F341 HydrophobicContact CD2-CZ 3.95Å; L160-F341 HydrophobicContact CG-CE2 4.33Å; L160-F341 HydrophobicContact CG-CZ 4.22Å; L160-V352 HydrophobicContact CD1-CG2 3.4Å; L160-V352 VanDerWaalsContact CD1-CG2 3.4Å; L160-L365 HydrophobicContact CB-CD1 3.88Å; L160-L365 HydrophobicContact CB-CD2 4.17Å; L160-L365 HydrophobicContact CD1-CD2 4.47Å
161	P	97.3	Very high	95.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.1	-33.7	174.9	-24.6	35.9	0	0	0	113.1	A157 L165 L247 V299 S301 M363 L365	A157-P161 WeakPolarHBondContact O-CD 3.14Å; P161-L165 WeakPolarHBondContact O-CB 3.39Å; P161-L165 PolarHBondContact O-N 3.24Å; P161-L165 VanDerWaalsContact O-N 3.1Å; P161-L247 HydrophobicContact CB-CD1 3.89Å; P161-V299 HydrophobicContact CB-CG1 3.91Å; P161-S301 VanDerWaalsContact CG-CB 3.49Å; P161-M363 HydrophobicContact CG-CG 4.23Å; P161-M363 HydrophobicContact CG-SD 3.77Å; P161-L365 HydrophobicContact CG-CB 4.4Å
162	V	95.9	Very high	95.3	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-71.7	-41.8	178.2	178.3	0	0	0	0	110.8	L125 L159 L160 L165 K183 A186 I187	L125-V162 HydrophobicContact CD1-CG1 4.45Å; L159-V162 WeakPolarHBondContact O-CB 3.35Å; L159-V162 PolarHBondContact O-N 2.81Å; L160-V162 VanDerWaalsContact C-N 3.26Å; L160-V162 PolarHBondContact O-N 3.42Å; V162-L165 PolarHBondContact O-N 3.04Å; V162-K183 HydrophobicContact CG2-CB 4.07Å; V162-K183 HydrophobicContact CG2-CG 4.31Å; V162-A186 HydrophobicContact CG1-CB 4.26Å; V162-A186 HydrophobicContact CG2-CB 4.06Å; V162-I187 HydrophobicContact CG1-CG1 3.82Å; V162-I187 HydrophobicContact CG2-CG1 4.23Å
163	L	93.8	Very high	95.5	Very high	19 Å²	19	28.2 Å²	28.2	10%	0.099	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-45.7	173.6	-70.8	166.4	0	0	0	111.2	L116 L125 L159 L160 L165 Q166 L337	L116-L163 HydrophobicContact CD1-CD1 4.38Å; L116-L163 HydrophobicContact CD1-CD2 4.36Å; L116-L163 HydrophobicContact CD2-CD1 3.68Å; L125-L163 HydrophobicContact CB-CD2 4.34Å; L125-L163 HydrophobicContact CD1-CD2 3.44Å; L125-L163 VanDerWaalsContact CD1-CD2 3.44Å; L125-L163 HydrophobicContact CD1-CG 4.07Å; L159-L163 HydrophobicContact CB-CD1 4.48Å; L159-L163 WeakPolarHBondContact O-CG 3.26Å; L159-L163 PolarHBondContact O-N 3.4Å; L160-L163 HydrophobicContact CD2-CD1 4.22Å; L160-L163 PolarHBondContact O-N 3.24Å; L163-L165 PolarHBondContact O-N 3.08Å; L163-Q166 WeakPolarHBondContact O-CG 3.4Å; L163-Q166 PolarHBondContact O-N 2.95Å; L163-L337 HydrophobicContact CD1-CD1 4.5Å
164	A	95.6	Very high	95.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.8	-34	177.7	0	0	0	0	0	112.7	L160 Q166 V299 L329 I333 L365 R367	L160-A164 WeakPolarHBondContact O-CB 3.1Å; L160-A164 PolarHBondContact O-N 3.13Å; A164-Q166 PolarHBondContact O-N 3.37Å; A164-V299 HydrophobicContact CB-CG1 4.37Å; A164-V299 HydrophobicContact CB-CG2 3.98Å; A164-L329 HydrophobicContact CB-CD1 4.17Å; A164-L329 HydrophobicContact CB-CD2 4.06Å; A164-I333 HydrophobicContact CB-CD1 3.55Å; A164-L365 HydrophobicContact CB-CD1 3.87Å; A164-R367 WeakPolarHBondContact O-CD 3.45Å; A164-R367 PolarHBondContact O-NH1 2.89Å
165	L	96.6	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.5	-26.9	-178.1	-168	62.6	0	0	0	112.5	P161 V162 L163 V167 V173 I187 K245 V246 L247 V297 V299	P161-L165 WeakPolarHBondContact O-CB 3.39Å; P161-L165 PolarHBondContact O-N 3.24Å; P161-L165 VanDerWaalsContact O-N 3.1Å; V162-L165 PolarHBondContact O-N 3.04Å; L163-L165 PolarHBondContact O-N 3.08Å; L165-V167 HydrophobicContact CB-CG2 4.29Å; L165-V167 HydrophobicContact CD2-CG2 3.58Å; L165-V167 HydrophobicContact CG-CG2 3.79Å; L165-V167 PolarHBondContact O-N 3.4Å; L165-V173 HydrophobicContact CD2-CG1 4.2Å; L165-I187 HydrophobicContact CD2-CD1 4.4Å; L165-K245 HydrophobicContact CD1-CB 3.94Å; L165-K245 HydrophobicContact CD1-CD 4.35Å; L165-K245 HydrophobicContact CD2-CB 4.29Å; L165-K245 HydrophobicContact CG-CB 4.02Å; L165-K245 WeakPolarHBondContact O-CD 3.24Å; L165-K245 PolarHBondContact O-NZ 2.7Å; L165-V246 WeakPolarHBondContact CD1-O 3.48Å; L165-L247 HydrophobicContact CD2-CB 4.01Å; L165-V297 HydrophobicContact CD1-CG1 4.35Å; L165-V299 HydrophobicContact CB-CG2 3.95Å; L165-V299 HydrophobicContact CD1-CB 4.06Å; L165-V299 HydrophobicContact CD1-CG2 3.75Å; L165-V299 HydrophobicContact CG-CG2 4.49Å
166	Q	93.9	Very high	96.3	Very high	39 Å²	39	24 Å²	24	18%	0.182	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	52.4	179.6	-60.2	-177.1	-4.3	0	0	113.4	V121 L163 A164 R168 E332	V121-Q166 HydrophobicContact CG1-CB 4.25Å; V121-Q166 HydrophobicContact CG1-CG 4.38Å; V121-Q166 HydrophobicContact CG2-CG 4.49Å; L163-Q166 WeakPolarHBondContact O-CG 3.4Å; L163-Q166 PolarHBondContact O-N 2.95Å; A164-Q166 PolarHBondContact O-N 3.37Å; Q166-R168 PolarHBondContact O-N 2.91Å; Q166-E332 PolarHBondContact NE2-OE1 3.12Å; Q166-E332 PolarHBondContact NE2-OE2 3.03Å; Q166-E332 VanDerWaalsContact NE2-OE2 3.16Å
167	V	95.6	Very high	96.5	Very high	7 Å²	7	24.8 Å²	24.8	4%	0.042	13%	0.129	C	C	.	.			trans	-63.4	134.5	177.1	-179.9	0	0	0	0	110.1	L165 D171 V173 I187 A191 P193	L165-V167 HydrophobicContact CB-CG2 4.29Å; L165-V167 HydrophobicContact CD2-CG2 3.58Å; L165-V167 HydrophobicContact CG-CG2 3.79Å; L165-V167 PolarHBondContact O-N 3.4Å; V167-D171 HydrophobicContact CG1-CB 4.29Å; V167-V173 HydrophobicContact CG1-CG2 3.59Å; V167-V173 HydrophobicContact CG2-CG1 4.32Å; V167-V173 HydrophobicContact CG2-CG2 4.09Å; V167-I187 HydrophobicContact CG1-CG2 4.25Å; V167-I187 HydrophobicContact CG2-CG2 4.18Å; V167-A191 HydrophobicContact CB-CB 4.27Å; V167-A191 HydrophobicContact CG1-CB 3.8Å; V167-P193 HydrophobicContact CG1-CG 4.06Å
168	R	94.8	Very high	96.7	Very high	160 Å²	160	25.1 Å²	25.1	60%	0.604	13%	0.131	S	C	*	.			trans	-110.7	159.9	175.8	-61.4	179.1	-178.9	178.3	-1.4	111.2	Q166 G170 D171	Q166-R168 PolarHBondContact O-N 2.91Å; R168-G170 PolarHBondContact O-N 3.32Å; R168-D171 PolarHBondContact N-OD2 3.34Å; R168-D171 WeakPolarHBondContact O-CB 3.45Å; R168-D171 PolarHBondContact O-N 2.87Å; R168-D171 VanDerWaalsContact O-N 3.16Å
169	D	95.1	Very high	96.8	Very high	106 Å²	106	24 Å²	24	57%	0.567	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	131.3	172	-77.2	6.2	0	0	0	110	T192	D169-T192 WeakPolarHBondContact CA-O 3.14Å; D169-T192 PolarHBondContact OD1-N 2.75Å
170	G	97	Very high	96.8	Very high	44 Å²	44	27.1 Å²	27.1	45%	0.454	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-7.4	-177.7	0	0	0	0	0	116	R168 T192 A194	R168-G170 PolarHBondContact O-N 3.32Å; G170-T192 PolarHBondContact N-O 2.84Å; G170-A194 WeakPolarHBondContact O-CB 3.16Å
171	D	98.3	Very high	96.9	Very high	21 Å²	21	27 Å²	27	11%	0.112	14%	0.144	C	C	.	.			trans	-63	148.9	174.2	-76.4	-12.6	0	0	0	111.3	V167 R168 V173 P193 A194 L195 D244	V167-D171 HydrophobicContact CG1-CB 4.29Å; R168-D171 PolarHBondContact N-OD2 3.34Å; R168-D171 WeakPolarHBondContact O-CB 3.45Å; R168-D171 PolarHBondContact O-N 2.87Å; R168-D171 VanDerWaalsContact O-N 3.16Å; D171-V173 HydrophobicContact CB-CG2 3.98Å; D171-P193 CarbonylContact O-C 3.56Å; D171-P193 WeakPolarHBondContact O-CA 3.27Å; D171-P193 WeakPolarHBondContact O-CB 3.19Å; D171-A194 PolarHBondContact O-N 3.38Å; D171-L195 PolarHBondContact O-N 3.27Å; D171-D244 HydrophobicContact CB-CB 4.13Å
172	K	98.8	Very high	96.8	Very high	77 Å²	77	27.9 Å²	27.9	34%	0.335	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.5	161	-63.3	176.4	-176.2	174	0	109	L195 F242 Y243 D244 K245	K172-L195 HydrophobicContact CG-CB 4.28Å; K172-F242 HydrophobicContact CD-CE1 4.19Å; K172-F242 HydrophobicContact CD-CE2 4.31Å; K172-F242 HydrophobicContact CD-CZ 4.04Å; K172-F242 WeakPolarHBondContact CD-O 3.48Å; K172-Y243 HydrophobicContact CB-CD1 4.3Å; K172-D244 WeakPolarHBondContact CB-OD2 2.97Å; K172-D244 PolarHBondContact N-OD2 3.16Å; K172-D244 PolarHBondContact O-N 3.27Å; K172-K245 PolarHBondContact O-N 3.36Å
173	V	98.9	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.7	-173.1	-171.4	0	0	0	0	110.4	L165 V167 D171 I187 P193 L195 L196 C197 K245	L165-V173 HydrophobicContact CD2-CG1 4.2Å; V167-V173 HydrophobicContact CG1-CG2 3.59Å; V167-V173 HydrophobicContact CG2-CG1 4.32Å; V167-V173 HydrophobicContact CG2-CG2 4.09Å; D171-V173 HydrophobicContact CB-CG2 3.98Å; V173-I187 HydrophobicContact CG1-CD1 4.23Å; V173-I187 HydrophobicContact CG1-CG2 4.49Å; V173-P193 HydrophobicContact CG2-CB 4.14Å; V173-P193 HydrophobicContact CG2-CG 4.13Å; V173-L195 PolarHBondContact N-O 3.07Å; V173-L196 HydrophobicContact CB-CD1 3.91Å; V173-L196 HydrophobicContact CG1-CD1 3.88Å; V173-L196 CarbonylContact O-C 3.59Å; V173-L196 WeakPolarHBondContact O-CA 3.49Å; V173-C197 PolarHBondContact O-N 3.42Å; V173-K245 CarbonylContact C-O 3.57Å; V173-K245 VanDerWaalsContact CA-O 3.32Å; V173-K245 WeakPolarHBondContact CA-O 3.19Å; V173-K245 HydrophobicContact CG1-CB 4.28Å; V173-K245 HydrophobicContact CG2-CB 4.27Å
174	L	98.9	Very high	97.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.1	168.7	177.1	60.4	0	0	0	109.7	L176 C197 N199 I235 Y243 K245 V246 L247 A291	L174-L176 HydrophobicContact CD2-CD1 3.72Å; L174-L176 HydrophobicContact CG-CB 4.39Å; L174-L176 HydrophobicContact CG-CD1 4.24Å; L174-C197 HydrophobicContact CD1-CB 3.86Å; L174-N199 HydrophobicContact CD1-CB 4.49Å; L174-I235 HydrophobicContact CD2-CG2 3.82Å; L174-Y243 HydrophobicContact CB-CD1 3.61Å; L174-Y243 HydrophobicContact CB-CD2 3.9Å; L174-Y243 HydrophobicContact CB-CE1 3.67Å; L174-Y243 HydrophobicContact CB-CE2 3.97Å; L174-Y243 HydrophobicContact CB-CG 3.72Å; L174-Y243 HydrophobicContact CD1-CE1 4.44Å; L174-Y243 HydrophobicContact CD1-CE2 4.39Å; L174-Y243 HydrophobicContact CD2-CD2 3.96Å; L174-Y243 HydrophobicContact CD2-CE2 3.75Å; L174-Y243 HydrophobicContact CG-CE2 4.26Å; L174-K245 PolarHBondContact N-O 3.22Å; L174-V246 HydrophobicContact CB-CB 4.44Å; L174-V246 HydrophobicContact CB-CG1 4.06Å; L174-V246 HydrophobicContact CB-CG2 4.13Å; L174-V246 HydrophobicContact CD2-CG1 3.91Å; L174-V246 HydrophobicContact CD2-CG2 4.4Å; L174-V246 HydrophobicContact CG-CG1 4.08Å; L174-V246 CarbonylContact O-C 3.56Å; L174-V246 WeakPolarHBondContact O-CA 3.42Å; L174-L247 PolarHBondContact O-N 2.89Å; L174-A291 HydrophobicContact CD2-CB 4.26Å
175	D	98.9	Very high	97.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	97.7	161.7	-177.3	-0.7	0	0	0	107.6	C177 S178 A184 L196 C197 N199	D175-C177 VanDerWaalsContact C-N 3.29Å; D175-C177 PolarHBondContact O-N 3.28Å; D175-S178 VanDerWaalsContact CG-CB 3.4Å; D175-S178 VanDerWaalsContact CG-OG 3.26Å; D175-S178 WeakPolarHBondContact OD1-CA 3.47Å; D175-S178 WeakPolarHBondContact OD2-CA 3.45Å; D175-S178 VanDerWaalsContact OD2-CB 3.24Å; D175-S178 WeakPolarHBondContact OD2-CB 3.44Å; D175-S178 PolarHBondContact OD2-OG 3.2Å; D175-A184 PolarHBondContact OD2-N 3.12Å; D175-L196 HydrophobicContact CB-CD1 4.44Å; D175-C197 PolarHBondContact N-O 2.98Å; D175-N199 PolarHBondContact O-N 3.16Å
176	L	98.8	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-27	-165.8	-169.7	71.6	0	0	0	113.2	L174 N199 I235 L247 V248 L284 A288	L174-L176 HydrophobicContact CD2-CD1 3.72Å; L174-L176 HydrophobicContact CG-CB 4.39Å; L174-L176 HydrophobicContact CG-CD1 4.24Å; L176-N199 WeakPolarHBondContact O-CB 3.45Å; L176-N199 PolarHBondContact O-ND2 3.04Å; L176-I235 HydrophobicContact CD1-CB 4.26Å; L176-I235 HydrophobicContact CD1-CD1 3.71Å; L176-I235 HydrophobicContact CD1-CG1 4.42Å; L176-L247 WeakPolarHBondContact CB-O 3.15Å; L176-L247 PolarHBondContact N-O 3.19Å; L176-V248 HydrophobicContact CB-CG2 4.43Å; L176-V248 HydrophobicContact CD2-CG1 4.25Å; L176-V248 HydrophobicContact CD2-CG2 3.98Å; L176-L284 HydrophobicContact CD2-CB 4.09Å; L176-L284 HydrophobicContact CD2-CD2 4.02Å; L176-L284 WeakPolarHBondContact CD2-O 3.37Å; L176-A288 HydrophobicContact CD2-CB 4.26Å
177	C	98.4	Very high	97.3	Very high	16 Å²	16	26 Å²	26	11%	0.108	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.8	64.4	-174.4	-71.3	0	0	0	0	109.5	D175 D249	D175-C177 VanDerWaalsContact C-N 3.29Å; D175-C177 PolarHBondContact O-N 3.28Å; C177-D249 WeakPolarHBondContact CB-O 3.46Å
178	S	98.4	Very high	97.3	Very high	6 Å²	6	25.7 Å²	25.7	4%	0.042	14%	0.141	C	C	.	.			trans	-81.3	-26	-155.6	-168.3	0	0	0	0	115.2	D175 G181 C198 N199 L209	D175-S178 VanDerWaalsContact CG-CB 3.4Å; D175-S178 VanDerWaalsContact CG-OG 3.26Å; D175-S178 WeakPolarHBondContact OD1-CA 3.47Å; D175-S178 WeakPolarHBondContact OD2-CA 3.45Å; D175-S178 VanDerWaalsContact OD2-CB 3.24Å; D175-S178 WeakPolarHBondContact OD2-CB 3.44Å; D175-S178 PolarHBondContact OD2-OG 3.2Å; S178-G181 WeakPolarHBondContact O-CA 3.34Å; S178-G181 PolarHBondContact O-N 3.26Å; S178-C198 WeakPolarHBondContact OG-CB 3.31Å; S178-N199 PolarHBondContact N-O 2.86Å; S178-L209 WeakPolarHBondContact OG-CD1 3.38Å
179	A	96.9	Very high	97.2	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.033	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	139.7	-173.2	0	0	0	0	0	112.8	E200 R205 L209	A179-E200 HydrophobicContact CB-CB 4.09Å; A179-E200 HydrophobicContact CB-CG 3.65Å; A179-E200 WeakPolarHBondContact CB-OE2 3.41Å; A179-R205 HydrophobicContact CB-CB 3.7Å; A179-R205 WeakPolarHBondContact CB-O 3.29Å; A179-R205 PolarHBondContact O-NH2 3.15Å; A179-L209 HydrophobicContact CB-CB 4Å
180	P	96.2	Very high	97	Very high	66 Å²	66	13.6 Å²	13.6	43%	0.429	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.4	6.3	14.7	34.8	-37.5	0	0	0	115.7	T212	P180-T212 WeakPolarHBondContact O-CB 3.22Å; P180-T212 PolarHBondContact O-OG1 3.38Å
181	G	96.5	Very high	96.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.068	C	C	.	.			trans	105.6	6.2	173	0	0	0	0	0	115.6	S178 K183 A184 V185 L209	S178-G181 WeakPolarHBondContact O-CA 3.34Å; S178-G181 PolarHBondContact O-N 3.26Å; G181-K183 PolarHBondContact O-N 2.88Å; G181-A184 PolarHBondContact O-N 3.46Å; G181-V185 WeakPolarHBondContact O-CB 3.2Å; G181-V185 VanDerWaalsContact O-CG2 3.31Å; G181-V185 WeakPolarHBondContact O-CG2 3.45Å; G181-V185 PolarHBondContact O-N 2.69Å; G181-L209 VanDerWaalsContact CA-CD1 3.44Å
182	G	96.3	Very high	96.6	Very high	18 Å²	18	12.2 Å²	12.2	19%	0.186	7%	0.073	C	C	.	.	H	α-helix	trans	-61.6	-42.9	-178.6	0	0	0	0	0	113.2	A186	G182-A186 WeakPolarHBondContact O-CB 3.43Å; G182-A186 PolarHBondContact O-N 3.06Å
183	K	97.4	Very high	96.6	Very high	18 Å²	18	8.6 Å²	8.6	8%	0.078	6%	0.057	C	C	.	.	H	α-helix	trans	-74.2	-39.3	178.2	-65	-169.1	176.9	75.7	0	112.2	V162 G181 V185 A186 I187 L247 D249	V162-K183 HydrophobicContact CG2-CB 4.07Å; V162-K183 HydrophobicContact CG2-CG 4.31Å; G181-K183 PolarHBondContact O-N 2.88Å; K183-V185 VanDerWaalsContact C-N 3.34Å; K183-V185 PolarHBondContact O-N 3.22Å; K183-A186 CarbonylContact O-C 3.56Å; K183-A186 WeakPolarHBondContact O-CB 3.46Å; K183-A186 PolarHBondContact O-N 3.34Å; K183-A186 VanDerWaalsContact O-N 3.12Å; K183-I187 WeakPolarHBondContact O-CG1 3.35Å; K183-I187 PolarHBondContact O-N 3.24Å; K183-L247 HydrophobicContact CB-CD2 3.79Å; K183-L247 HydrophobicContact CD-CD2 3.85Å; K183-L247 HydrophobicContact CG-CD2 4.46Å; K183-D249 HydrophobicContact CD-CB 3.91Å; K183-D249 WeakPolarHBondContact CE-OD1 3.42Å; K183-D249 IonicContact NZ-OD1 3.95Å; K183-D249 PolarHBondContact NZ-OD1 2.75Å; K183-D249 IonicContact NZ-OD2 3.72Å; K183-D249 PolarHBondContact NZ-OD2 3.46Å
184	A	98.1	Very high	96.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-55.7	-45.5	169	0	0	0	0	0	112.9	D175 G181 A186 I187 M188 L196 L213	D175-A184 PolarHBondContact OD2-N 3.12Å; G181-A184 PolarHBondContact O-N 3.46Å; A184-A186 VanDerWaalsContact C-N 3.33Å; A184-A186 PolarHBondContact O-N 2.92Å; A184-I187 PolarHBondContact O-N 3.43Å; A184-M188 WeakPolarHBondContact O-CG 3.26Å; A184-M188 PolarHBondContact O-N 2.68Å; A184-M188 VanDerWaalsContact O-N 3.11Å; A184-L196 HydrophobicContact CB-CD2 4.24Å; A184-L213 HydrophobicContact CB-CD2 4.13Å
185	V	96.7	Very high	96.5	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-61.7	-43.3	174.7	170.2	0	0	0	0	110.7	M93 G181 K183 M188 Q189 T212 L213 F216	M93-V185 HydrophobicContact CE-CB 4.47Å; M93-V185 HydrophobicContact CE-CG1 3.78Å; G181-V185 WeakPolarHBondContact O-CB 3.2Å; G181-V185 VanDerWaalsContact O-CG2 3.31Å; G181-V185 WeakPolarHBondContact O-CG2 3.45Å; G181-V185 PolarHBondContact O-N 2.69Å; K183-V185 VanDerWaalsContact C-N 3.34Å; K183-V185 PolarHBondContact O-N 3.22Å; V185-M188 CarbonylContact O-C 3.58Å; V185-M188 PolarHBondContact O-N 2.81Å; V185-Q189 HydrophobicContact CG1-CG 4.36Å; V185-Q189 VanDerWaalsContact O-CG 3.27Å; V185-Q189 WeakPolarHBondContact O-CG 3.31Å; V185-Q189 PolarHBondContact O-N 3.41Å; V185-Q189 PolarHBondContact O-NE2 2.87Å; V185-T212 HydrophobicContact CG2-CG2 3.76Å; V185-L213 HydrophobicContact CG2-CD2 4.47Å; V185-F216 HydrophobicContact CG1-CB 3.88Å; V185-F216 HydrophobicContact CG1-CD1 3.95Å; V185-F216 HydrophobicContact CG1-CD2 4.35Å; V185-F216 HydrophobicContact CG1-CG 3.79Å; V185-F216 HydrophobicContact CG2-CB 3.86Å; V185-F216 HydrophobicContact CG2-CD2 4.02Å; V185-F216 HydrophobicContact CG2-CG 4.04Å
186	A	96	Very high	96.5	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-62.7	-40.3	177.9	0	0	0	0	0	112.7	M93 L159 V162 G182 K183 A184 M188 Q189 S190	M93-A186 HydrophobicContact CE-CB 3.99Å; M93-A186 HydrophobicContact SD-CB 3.74Å; L159-A186 HydrophobicContact CD2-CB 3.76Å; V162-A186 HydrophobicContact CG1-CB 4.26Å; V162-A186 HydrophobicContact CG2-CB 4.06Å; G182-A186 WeakPolarHBondContact O-CB 3.43Å; G182-A186 PolarHBondContact O-N 3.06Å; K183-A186 CarbonylContact O-C 3.56Å; K183-A186 WeakPolarHBondContact O-CB 3.46Å; K183-A186 PolarHBondContact O-N 3.34Å; K183-A186 VanDerWaalsContact O-N 3.12Å; A184-A186 VanDerWaalsContact C-N 3.33Å; A184-A186 PolarHBondContact O-N 2.92Å; A186-M188 VanDerWaalsContact C-N 3.31Å; A186-M188 PolarHBondContact O-N 3.39Å; A186-Q189 WeakPolarHBondContact O-CB 3.22Å; A186-Q189 PolarHBondContact O-N 3.42Å; A186-S190 PolarHBondContact O-N 3.03Å
187	I	96.3	Very high	96.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.6	-45.4	172.1	-70.2	164.6	0	0	0	110.5	V162 L165 V167 V173 K183 A184 Q189 S190 A191 P193 L196 L247	V162-I187 HydrophobicContact CG1-CG1 3.82Å; V162-I187 HydrophobicContact CG2-CG1 4.23Å; L165-I187 HydrophobicContact CD2-CD1 4.4Å; V167-I187 HydrophobicContact CG1-CG2 4.25Å; V167-I187 HydrophobicContact CG2-CG2 4.18Å; V173-I187 HydrophobicContact CG1-CD1 4.23Å; V173-I187 HydrophobicContact CG1-CG2 4.49Å; K183-I187 WeakPolarHBondContact O-CG1 3.35Å; K183-I187 PolarHBondContact O-N 3.24Å; A184-I187 PolarHBondContact O-N 3.43Å; I187-Q189 PolarHBondContact O-N 2.98Å; I187-S190 PolarHBondContact O-N 3.09Å; I187-S190 VanDerWaalsContact O-N 3.16Å; I187-S190 PolarHBondContact O-OG 3.03Å; I187-A191 PolarHBondContact O-N 2.6Å; I187-P193 HydrophobicContact CG2-CG 4.11Å; I187-L196 HydrophobicContact CD1-CD1 4.29Å; I187-L196 HydrophobicContact CG2-CD1 4.24Å; I187-L196 HydrophobicContact CG2-CD2 4.37Å; I187-L247 HydrophobicContact CD1-CD2 4.09Å
188	M	95.8	Very high	96.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-71.2	-18.5	177	-64.9	-60.6	-61.1	0	0	113.3	F97 A184 V185 A186 P193 L196 L217 L221 V225	F97-M188 HydrophobicContact CE2-CB 4.17Å; F97-M188 WeakPolarHBondContact CE2-O 3.43Å; F97-M188 WeakPolarHBondContact CZ-O 3.45Å; A184-M188 WeakPolarHBondContact O-CG 3.26Å; A184-M188 PolarHBondContact O-N 2.68Å; A184-M188 VanDerWaalsContact O-N 3.11Å; V185-M188 CarbonylContact O-C 3.58Å; V185-M188 PolarHBondContact O-N 2.81Å; A186-M188 VanDerWaalsContact C-N 3.31Å; A186-M188 PolarHBondContact O-N 3.39Å; M188-P193 HydrophobicContact SD-CG 4.08Å; M188-L196 HydrophobicContact CG-CD2 3.59Å; M188-L196 HydrophobicContact SD-CB 4.26Å; M188-L196 HydrophobicContact SD-CD2 3.71Å; M188-L217 HydrophobicContact CB-CD2 3.64Å; M188-L217 HydrophobicContact CE-CD2 4.5Å; M188-L217 HydrophobicContact CG-CD1 4.06Å; M188-L217 HydrophobicContact CG-CD2 3.92Å; M188-L221 HydrophobicContact CE-CB 4.46Å; M188-L221 HydrophobicContact CE-CD1 3.84Å; M188-V225 HydrophobicContact CE-CG2 4.32Å; M188-V225 HydrophobicContact SD-CG2 4.27Å
189	Q	93.5	Very high	96.6	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-78	-33.8	170.2	-61	-36.2	-70.5	0	0	111	M93 N95 R96 L125 V185 A186 I187	M93-Q189 HydrophobicContact CE-CG 4.13Å; M93-Q189 HydrophobicContact CG-CG 4.33Å; M93-Q189 HydrophobicContact SD-CB 4.39Å; M93-Q189 HydrophobicContact SD-CG 3.98Å; N95-Q189 PolarHBondContact OD1-OE1 2.85Å; R96-Q189 WeakPolarHBondContact CD-O 3.36Å; R96-Q189 PolarHBondContact NH1-O 3.3Å; R96-Q189 VanDerWaalsContact NH1-O 3.07Å; L125-Q189 HydrophobicContact CD2-CB 4.06Å; V185-Q189 HydrophobicContact CG1-CG 4.36Å; V185-Q189 VanDerWaalsContact O-CG 3.27Å; V185-Q189 WeakPolarHBondContact O-CG 3.31Å; V185-Q189 PolarHBondContact O-N 3.41Å; V185-Q189 PolarHBondContact O-NE2 2.87Å; A186-Q189 WeakPolarHBondContact O-CB 3.22Å; A186-Q189 PolarHBondContact O-N 3.42Å; I187-Q189 PolarHBondContact O-N 2.98Å
190	S	90.4	Very high	96.6	Very high	11 Å²	11	11.3 Å²	11.3	8%	0.077	8%	0.076	C	C	.	.	H	α-helix	trans	-82.1	-29.4	-176.7	69	0	0	0	0	114.2	L124 L125 A186 I187	L124-S190 WeakPolarHBondContact CD1-O 3.1Å; L125-S190 VanDerWaalsContact CD1-CB 3.46Å; L125-S190 VanDerWaalsContact CG-CB 3.44Å; A186-S190 PolarHBondContact O-N 3.03Å; I187-S190 PolarHBondContact O-N 3.09Å; I187-S190 VanDerWaalsContact O-N 3.16Å; I187-S190 PolarHBondContact O-OG 3.03Å
191	A	93.4	Very high	96.7	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.008	8%	0.076	C	C	.	.			trans	-153.4	174.3	-174.4	0	0	0	0	0	111.9	V167 I187 P193	V167-A191 HydrophobicContact CB-CB 4.27Å; V167-A191 HydrophobicContact CG1-CB 3.8Å; I187-A191 PolarHBondContact O-N 2.6Å; A191-P193 VanDerWaalsContact C-CD 3.48Å; A191-P193 WeakPolarHBondContact O-CD 3.48Å
192	T	94.9	Very high	96.8	Very high	36 Å²	36	14.5 Å²	14.5	22%	0.221	9%	0.093	C	C	.	.			trans	-115.6	81.2	170.1	-46.9	0	0	0	0	109.9	D169 G170	D169-T192 WeakPolarHBondContact CA-O 3.14Å; D169-T192 PolarHBondContact OD1-N 2.75Å; G170-T192 PolarHBondContact N-O 2.84Å
193	P	97.2	Very high	96.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.107	C	C	.	.			trans	-53.6	151.1	175.8	-26.3	35.2	0	0	0	112.9	V167 D171 V173 I187 M188 A191 L195 L196 R224	V167-P193 HydrophobicContact CG1-CG 4.06Å; D171-P193 CarbonylContact O-C 3.56Å; D171-P193 WeakPolarHBondContact O-CA 3.27Å; D171-P193 WeakPolarHBondContact O-CB 3.19Å; V173-P193 HydrophobicContact CG2-CB 4.14Å; V173-P193 HydrophobicContact CG2-CG 4.13Å; I187-P193 HydrophobicContact CG2-CG 4.11Å; M188-P193 HydrophobicContact SD-CG 4.08Å; A191-P193 VanDerWaalsContact C-CD 3.48Å; A191-P193 WeakPolarHBondContact O-CD 3.48Å; P193-L195 VanDerWaalsContact C-N 3.26Å; P193-L195 WeakPolarHBondContact CB-O 3.45Å; P193-L196 HydrophobicContact CB-CB 4.49Å; P193-R224 PolarHBondContact O-NH1 2.84Å
194	A	98.3	Very high	96.9	Very high	45 Å²	45	21.1 Å²	21.1	37%	0.372	13%	0.126	S	C	.	.	S	Bend	trans	-65.5	-38.3	164.2	0	0	0	0	0	110.5	G170 D171	G170-A194 WeakPolarHBondContact O-CB 3.16Å; D171-A194 PolarHBondContact O-N 3.38Å
195	L	98.7	Very high	96.8	Very high	35 Å²	35	25.5 Å²	25.5	18%	0.183	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	133.7	176.2	175.4	65	0	0	0	109.4	D171 K172 V173 P193 R224 M226 F242 Y243	D171-L195 PolarHBondContact O-N 3.27Å; K172-L195 HydrophobicContact CG-CB 4.28Å; V173-L195 PolarHBondContact N-O 3.07Å; P193-L195 VanDerWaalsContact C-N 3.26Å; P193-L195 WeakPolarHBondContact CB-O 3.45Å; L195-R224 CarbonylContact C-O 3.49Å; L195-R224 WeakPolarHBondContact CA-O 3.31Å; L195-M226 HydrophobicContact CD1-CB 4.2Å; L195-F242 HydrophobicContact CD2-CE1 3.68Å; L195-F242 HydrophobicContact CD2-CZ 4.13Å; L195-Y243 HydrophobicContact CD2-CE1 4.49Å
196	L	98.8	Very high	96.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	107.9	163.2	175.7	61.4	0	0	0	108.2	V173 D175 A184 I187 M188 P193 R224 V225 M226	V173-L196 HydrophobicContact CB-CD1 3.91Å; V173-L196 HydrophobicContact CG1-CD1 3.88Å; V173-L196 CarbonylContact O-C 3.59Å; V173-L196 WeakPolarHBondContact O-CA 3.49Å; D175-L196 HydrophobicContact CB-CD1 4.44Å; A184-L196 HydrophobicContact CB-CD2 4.24Å; I187-L196 HydrophobicContact CD1-CD1 4.29Å; I187-L196 HydrophobicContact CG2-CD1 4.24Å; I187-L196 HydrophobicContact CG2-CD2 4.37Å; M188-L196 HydrophobicContact CG-CD2 3.59Å; M188-L196 HydrophobicContact SD-CB 4.26Å; M188-L196 HydrophobicContact SD-CD2 3.71Å; P193-L196 HydrophobicContact CB-CB 4.49Å; L196-R224 PolarHBondContact N-O 3.49Å; L196-V225 HydrophobicContact CB-CG2 4.41Å; L196-V225 WeakPolarHBondContact O-CA 3.41Å; L196-M226 PolarHBondContact O-N 3.25Å
197	C	98.8	Very high	97	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	116	171.8	-177.2	0	0	0	0	109.1	V173 L174 D175 M226 Y243	V173-C197 PolarHBondContact O-N 3.42Å; L174-C197 HydrophobicContact CD1-CB 3.86Å; D175-C197 PolarHBondContact N-O 2.98Å; C197-M226 HydrophobicContact CB-CE 3.95Å; C197-M226 WeakPolarHBondContact SG-CE 3.27Å; C197-Y243 HydrophobicContact CB-CE1 3.76Å; C197-Y243 WeakPolarHBondContact CB-OH 3.38Å; C197-Y243 PolarHBondContact SG-OH 2.89Å; C197-Y243 VanDerWaalsContact SG-OH 3.42Å
198	C	98.8	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	103.8	176.5	-62.7	0	0	0	0	109.1	S178 L209 L213 M226 V227 S228	S178-C198 WeakPolarHBondContact OG-CB 3.31Å; C198-L209 HydrophobicContact CB-CD1 4.36Å; C198-L209 HydrophobicContact CB-CD2 3.97Å; C198-L213 HydrophobicContact CB-CD1 4.48Å; C198-M226 PolarHBondContact N-O 3.29Å; C198-V227 WeakPolarHBondContact O-CA 3.5Å; C198-S228 PolarHBondContact O-N 3.33Å
199	N	98.8	Very high	97	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.3	-179.8	-177.7	66.4	0	0	0	111.6	L174 D175 L176 S178 S228 Q230 I235	L174-N199 HydrophobicContact CD1-CB 4.49Å; D175-N199 PolarHBondContact O-N 3.16Å; L176-N199 WeakPolarHBondContact O-CB 3.45Å; L176-N199 PolarHBondContact O-ND2 3.04Å; S178-N199 PolarHBondContact N-O 2.86Å; N199-S228 WeakPolarHBondContact CA-OG 3.35Å; N199-S228 VanDerWaalsContact CB-OG 3.3Å; N199-S228 WeakPolarHBondContact CB-OG 3.27Å; N199-S228 PolarHBondContact OD1-OG 3.08Å; N199-Q230 PolarHBondContact ND2-O 2.98Å; N199-Q230 PolarHBondContact OD1-N 2.93Å; N199-Q230 PolarHBondContact OD1-O 3.36Å; N199-Q230 VanDerWaalsContact OD1-O 3.09Å; N199-I235 HydrophobicContact CB-CD1 4.03Å
200	E	98.4	Very high	97.2	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.019	22%	0.217	C	C	.	.			trans	-149.9	117.3	168.3	167.4	63.1	-118.4	0	0	109.2	A179 D202 R205 R206 L209 S228 A229	A179-E200 HydrophobicContact CB-CB 4.09Å; A179-E200 HydrophobicContact CB-CG 3.65Å; A179-E200 WeakPolarHBondContact CB-OE2 3.41Å; E200-D202 VanDerWaalsContact OE1-CB 3.27Å; E200-D202 WeakPolarHBondContact OE1-CB 3.46Å; E200-D202 PolarHBondContact OE1-N 2.89Å; E200-R205 HydrophobicContact CG-CB 3.72Å; E200-R205 IonicContact OE1-CZ 2.77Å; E200-R205 IonicContact OE1-NH1 3.94Å; E200-R205 IonicContact OE2-CZ 3.31Å; E200-R205 IonicContact OE2-NE 3.57Å; E200-R205 PolarHBondContact OE2-NE 3.12Å; E200-R205 IonicContact OE2-NH1 2.68Å; E200-R205 PolarHBondContact OE2-NH1 3.03Å; E200-R205 IonicContact OE2-NH2 2.89Å; E200-R205 PolarHBondContact OE2-NH2 3.03Å; E200-R206 HydrophobicContact CB-CG 3.63Å; E200-R206 HydrophobicContact CG-CB 4.4Å; E200-R206 HydrophobicContact CG-CG 3.67Å; E200-R206 WeakPolarHBondContact O-CD 3.15Å; E200-R206 WeakPolarHBondContact O-CG 3.19Å; E200-R206 PolarHBondContact O-NH1 2.8Å; E200-L209 HydrophobicContact CB-CD2 4.07Å; E200-S228 PolarHBondContact N-O 2.84Å; E200-A229 WeakPolarHBondContact O-CA 3.45Å
201	P	97.9	Very high	97.5	Very high	68 Å²	68	45.4 Å²	45.4	44%	0.442	24%	0.235	S	C	.	.			trans	-77.5	-20.6	-178.3	28.2	-34.6	0	0	0	114.4	R206	P201-R206 PolarHBondContact O-NH1 3.46Å
202	D	98.1	Very high	97.6	Very high	66 Å²	66	46.4 Å²	46.4	35%	0.353	24%	0.241	S	C	.	.	S	Bend	trans	-81.7	125	176.6	178.1	-91.5	0	0	0	111.9	E200 H204 R205 R206	E200-D202 VanDerWaalsContact OE1-CB 3.27Å; E200-D202 WeakPolarHBondContact OE1-CB 3.46Å; E200-D202 PolarHBondContact OE1-N 2.89Å; D202-H204 PolarHBondContact O-N 2.81Å; D202-H204 WeakPolarHBondContact OD1-CB 3.44Å; D202-H204 PolarHBondContact OD1-N 3.49Å; D202-R205 HydrophobicContact CB-CB 4.05Å; D202-R205 HydrophobicContact CB-CG 4.18Å; D202-R205 PolarHBondContact O-N 3.45Å; D202-R205 WeakPolarHBondContact OD1-CB 3.48Å; D202-R205 WeakPolarHBondContact OD1-CG 3.09Å; D202-R205 PolarHBondContact OD1-N 3.41Å; D202-R206 WeakPolarHBondContact O-CB 3.39Å; D202-R206 WeakPolarHBondContact O-CG 3.45Å; D202-R206 PolarHBondContact O-N 2.63Å
203	P	97.8	Very high	97.7	Very high	74 Å²	74	45.2 Å²	45.2	48%	0.481	23%	0.234	S	C	.	.	H	α-helix	trans	-62.1	-38.5	-176.3	23.1	-32.2	0	0	0	113.7	R206 D207	P203-R206 VanDerWaalsContact CA-NH2 3.29Å; P203-R206 WeakPolarHBondContact O-CB 3.39Å; P203-R206 PolarHBondContact O-N 2.72Å; P203-D207 PolarHBondContact O-N 3.35Å
204	H	97.4	Very high	97.7	Very high	101 Å²	101	48.9 Å²	48.9	47%	0.468	25%	0.251	S	S	.	.	H	α-helix	trans	-74.6	-39.4	-176.4	175.3	-100.7	0	0	0	111.6	D202 R206 D207 W208	D202-H204 PolarHBondContact O-N 2.81Å; D202-H204 WeakPolarHBondContact OD1-CB 3.44Å; D202-H204 PolarHBondContact OD1-N 3.49Å; H204-R206 VanDerWaalsContact C-N 3.35Å; H204-D207 PolarHBondContact O-N 3.16Å; H204-W208 AromaticContact CE1-CE2 3.33Å; H204-W208 AromaticContact CE1-CH2 3.59Å; H204-W208 AromaticContact CE1-CZ2 3.04Å; H204-W208 WeakPolarHBondContact CE1-CZ2 3.47Å; H204-W208 AromaticContact CE1-NE1 3.64Å; H204-W208 AromaticContact ND1-CE2 3.94Å; H204-W208 AromaticContact ND1-CZ2 3.88Å; H204-W208 AromaticContact NE2-CE2 3.79Å; H204-W208 AromaticContact NE2-CZ2 3.73Å; H204-W208 AromaticContact NE2-NE1 3.62Å; H204-W208 PolarHBondContact O-N 2.83Å
205	R	97.9	Very high	97.6	Very high	91 Å²	91	46.8 Å²	46.8	34%	0.343	23%	0.233	S	C	.	.	H	α-helix	trans	-66.7	-35.5	171.6	-69.6	-178.6	68.7	-164.1	0.4	111.7	A179 E200 D202 D207 W208 L209	A179-R205 HydrophobicContact CB-CB 3.7Å; A179-R205 WeakPolarHBondContact CB-O 3.29Å; A179-R205 PolarHBondContact O-NH2 3.15Å; E200-R205 HydrophobicContact CG-CB 3.72Å; E200-R205 IonicContact OE1-CZ 2.77Å; E200-R205 IonicContact OE1-NH1 3.94Å; E200-R205 IonicContact OE2-CZ 3.31Å; E200-R205 IonicContact OE2-NE 3.57Å; E200-R205 PolarHBondContact OE2-NE 3.12Å; E200-R205 IonicContact OE2-NH1 2.68Å; E200-R205 PolarHBondContact OE2-NH1 3.03Å; E200-R205 IonicContact OE2-NH2 2.89Å; E200-R205 PolarHBondContact OE2-NH2 3.03Å; D202-R205 HydrophobicContact CB-CB 4.05Å; D202-R205 HydrophobicContact CB-CG 4.18Å; D202-R205 PolarHBondContact O-N 3.45Å; D202-R205 WeakPolarHBondContact OD1-CB 3.48Å; D202-R205 WeakPolarHBondContact OD1-CG 3.09Å; D202-R205 PolarHBondContact OD1-N 3.41Å; R205-D207 VanDerWaalsContact C-N 3.35Å; R205-W208 WeakPolarHBondContact O-CB 3.27Å; R205-W208 PolarHBondContact O-N 2.88Å; R205-L209 PolarHBondContact O-N 2.8Å
206	R	97.9	Very high	97.5	Very high	56 Å²	56	45.3 Å²	45.3	21%	0.211	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-43.2	170.8	-85.9	-163.8	-55.7	-82.9	3.5	112.5	E200 P201 D202 P203 H204 W208 L209 A210 A229	E200-R206 HydrophobicContact CB-CG 3.63Å; E200-R206 HydrophobicContact CG-CB 4.4Å; E200-R206 HydrophobicContact CG-CG 3.67Å; E200-R206 WeakPolarHBondContact O-CD 3.15Å; E200-R206 WeakPolarHBondContact O-CG 3.19Å; E200-R206 PolarHBondContact O-NH1 2.8Å; P201-R206 PolarHBondContact O-NH1 3.46Å; D202-R206 WeakPolarHBondContact O-CB 3.39Å; D202-R206 WeakPolarHBondContact O-CG 3.45Å; D202-R206 PolarHBondContact O-N 2.63Å; P203-R206 VanDerWaalsContact CA-NH2 3.29Å; P203-R206 WeakPolarHBondContact O-CB 3.39Å; P203-R206 PolarHBondContact O-N 2.72Å; H204-R206 VanDerWaalsContact C-N 3.35Å; R206-W208 PolarHBondContact O-N 2.91Å; R206-L209 WeakPolarHBondContact O-CB 3.42Å; R206-L209 PolarHBondContact O-N 2.85Å; R206-A210 WeakPolarHBondContact O-CB 3.33Å; R206-A210 PolarHBondContact O-N 3.14Å; R206-A229 VanDerWaalsContact CZ-CB 3.4Å
207	D	96.9	Very high	97.4	Very high	94 Å²	94	46 Å²	46	50%	0.503	23%	0.229	S	C	.	.	H	α-helix	trans	-61.1	-37.4	177.3	-74.2	-14.4	0	0	0	111.4	P203 H204 R205 K211	P203-D207 PolarHBondContact O-N 3.35Å; H204-D207 PolarHBondContact O-N 3.16Å; R205-D207 VanDerWaalsContact C-N 3.35Å; D207-K211 WeakPolarHBondContact O-CB 3.44Å; D207-K211 VanDerWaalsContact O-CG 3.25Å; D207-K211 WeakPolarHBondContact O-CG 3.27Å; D207-K211 PolarHBondContact O-N 3.05Å
208	W	96.2	Very high	97.2	Very high	129 Å²	129	47 Å²	47	49%	0.489	24%	0.236	S	C	.	.	H	α-helix	trans	-66.8	-45.4	173.4	-68.8	-3.1	0	0	0	112.2	H204 R205 R206 A210 K211 T212	H204-W208 AromaticContact CE1-CE2 3.33Å; H204-W208 AromaticContact CE1-CH2 3.59Å; H204-W208 AromaticContact CE1-CZ2 3.04Å; H204-W208 WeakPolarHBondContact CE1-CZ2 3.47Å; H204-W208 AromaticContact CE1-NE1 3.64Å; H204-W208 AromaticContact ND1-CE2 3.94Å; H204-W208 AromaticContact ND1-CZ2 3.88Å; H204-W208 AromaticContact NE2-CE2 3.79Å; H204-W208 AromaticContact NE2-CZ2 3.73Å; H204-W208 AromaticContact NE2-NE1 3.62Å; H204-W208 PolarHBondContact O-N 2.83Å; R205-W208 WeakPolarHBondContact O-CB 3.27Å; R205-W208 PolarHBondContact O-N 2.88Å; R206-W208 PolarHBondContact O-N 2.91Å; W208-A210 PolarHBondContact O-N 2.94Å; W208-K211 PolarHBondContact O-N 3.23Å; W208-T212 WeakPolarHBondContact O-CB 3.5Å; W208-T212 PolarHBondContact O-N 3.19Å; W208-T212 PolarHBondContact O-OG1 2.85Å; W208-T212 VanDerWaalsContact O-OG1 3.07Å
209	L	97.9	Very high	97	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.9	-49.4	174.5	169.7	62.4	0	0	0	111.2	S178 A179 G181 C198 E200 R205 R206 K211 T212 L213 V227	S178-L209 WeakPolarHBondContact OG-CD1 3.38Å; A179-L209 HydrophobicContact CB-CB 4Å; G181-L209 VanDerWaalsContact CA-CD1 3.44Å; C198-L209 HydrophobicContact CB-CD1 4.36Å; C198-L209 HydrophobicContact CB-CD2 3.97Å; E200-L209 HydrophobicContact CB-CD2 4.07Å; R205-L209 PolarHBondContact O-N 2.8Å; R206-L209 WeakPolarHBondContact O-CB 3.42Å; R206-L209 PolarHBondContact O-N 2.85Å; L209-K211 PolarHBondContact O-N 2.74Å; L209-T212 WeakPolarHBondContact O-CB 3.32Å; L209-T212 PolarHBondContact O-N 2.64Å; L209-T212 VanDerWaalsContact O-N 3.14Å; L209-L213 HydrophobicContact CD1-CD1 3.95Å; L209-L213 HydrophobicContact CD1-CG 4.05Å; L209-L213 HydrophobicContact CG-CD1 4.16Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 2.99Å; L209-V227 HydrophobicContact CD2-CG1 4.07Å
210	A	96.6	Very high	96.8	Very high	46 Å²	46	55.5 Å²	55.5	38%	0.38	29%	0.293	S	S	.	.	H	α-helix	trans	-59.9	-44.6	178.4	0	0	0	0	0	112	R206 W208 T212 L213 E214	R206-A210 WeakPolarHBondContact O-CB 3.33Å; R206-A210 PolarHBondContact O-N 3.14Å; W208-A210 PolarHBondContact O-N 2.94Å; A210-T212 VanDerWaalsContact C-N 3.33Å; A210-T212 PolarHBondContact O-N 3.14Å; A210-L213 PolarHBondContact O-N 2.84Å; A210-E214 WeakPolarHBondContact O-CB 3.24Å; A210-E214 PolarHBondContact O-N 3.07Å
211	K	95.8	Very high	96.7	Very high	107 Å²	107	56.2 Å²	56.2	47%	0.465	30%	0.297	S	S	.	.	H	α-helix	trans	-63.8	-37.2	175	-74.1	170.2	-175.4	169.7	0	112.5	D207 W208 L209 S215	D207-K211 WeakPolarHBondContact O-CB 3.44Å; D207-K211 VanDerWaalsContact O-CG 3.25Å; D207-K211 WeakPolarHBondContact O-CG 3.27Å; D207-K211 PolarHBondContact O-N 3.05Å; W208-K211 PolarHBondContact O-N 3.23Å; L209-K211 PolarHBondContact O-N 2.74Å; K211-S215 WeakPolarHBondContact O-CB 3.5Å; K211-S215 PolarHBondContact O-N 3.43Å; K211-S215 PolarHBondContact O-OG 3.32Å
212	T	96.8	Very high	96.3	Very high	22 Å²	22	60.4 Å²	60.4	14%	0.135	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-52.2	174.1	-65.6	0	0	0	0	109.9	Y152 P180 V185 W208 L209 A210 E214 S215 F216	Y152-T212 HydrophobicContact CE2-CG2 4.04Å; P180-T212 WeakPolarHBondContact O-CB 3.22Å; P180-T212 PolarHBondContact O-OG1 3.38Å; V185-T212 HydrophobicContact CG2-CG2 3.76Å; W208-T212 WeakPolarHBondContact O-CB 3.5Å; W208-T212 PolarHBondContact O-N 3.19Å; W208-T212 PolarHBondContact O-OG1 2.85Å; W208-T212 VanDerWaalsContact O-OG1 3.07Å; L209-T212 WeakPolarHBondContact O-CB 3.32Å; L209-T212 PolarHBondContact O-N 2.64Å; L209-T212 VanDerWaalsContact O-N 3.14Å; A210-T212 VanDerWaalsContact C-N 3.33Å; A210-T212 PolarHBondContact O-N 3.14Å; T212-E214 VanDerWaalsContact C-N 3.34Å; T212-E214 PolarHBondContact O-N 3.25Å; T212-S215 WeakPolarHBondContact O-CA 3.42Å; T212-S215 VanDerWaalsContact O-CB 3.26Å; T212-S215 WeakPolarHBondContact O-CB 3.5Å; T212-S215 PolarHBondContact O-N 3.16Å; T212-F216 HydrophobicContact CG2-CD2 4.21Å; T212-F216 VanDerWaalsContact O-CD2 3.3Å; T212-F216 WeakPolarHBondContact O-CD2 3.37Å; T212-F216 PolarHBondContact O-N 2.62Å
213	L	97.1	Very high	96.1	Very high	12 Å²	12	62.6 Å²	62.6	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-58.6	-44.5	179.1	-67.2	173.7	0	0	0	111.7	A184 V185 C198 L209 A210 S215 F216 L217 V225 V227	A184-L213 HydrophobicContact CB-CD2 4.13Å; V185-L213 HydrophobicContact CG2-CD2 4.47Å; C198-L213 HydrophobicContact CB-CD1 4.48Å; L209-L213 HydrophobicContact CD1-CD1 3.95Å; L209-L213 HydrophobicContact CD1-CG 4.05Å; L209-L213 HydrophobicContact CG-CD1 4.16Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 2.99Å; A210-L213 PolarHBondContact O-N 2.84Å; L213-S215 VanDerWaalsContact C-N 3.27Å; L213-S215 PolarHBondContact O-N 2.9Å; L213-F216 PolarHBondContact O-N 3.38Å; L213-L217 HydrophobicContact CB-CD1 4.41Å; L213-L217 HydrophobicContact CD2-CD1 3.87Å; L213-L217 WeakPolarHBondContact O-CB 3.45Å; L213-L217 WeakPolarHBondContact O-CG 3.27Å; L213-L217 PolarHBondContact O-N 2.89Å; L213-V225 HydrophobicContact CD1-CG1 3.84Å; L213-V225 HydrophobicContact CD2-CG1 4.47Å; L213-V227 HydrophobicContact CD1-CG2 3.62Å
214	E	96	Very high	96.1	Very high	76 Å²	76	63.4 Å²	63.4	36%	0.355	32%	0.318	S	S	.	.	H	α-helix	trans	-60.8	-35.4	174.6	-169.8	-167.4	-163.1	0	0	112.7	H143 A210 T212 F216	H143-E214 IonicContact CD2-OE2 2.72Å; H143-E214 IonicContact CE1-OE2 3.39Å; H143-E214 PolarHBondContact CE1-OE2 3.23Å; H143-E214 IonicContact NE2-OE2 2.63Å; H143-E214 PolarHBondContact NE2-OE2 3.04Å; A210-E214 WeakPolarHBondContact O-CB 3.24Å; A210-E214 PolarHBondContact O-N 3.07Å; T212-E214 VanDerWaalsContact C-N 3.34Å; T212-E214 PolarHBondContact O-N 3.25Å; E214-F216 PolarHBondContact O-N 3.06Å
215	S	96.9	Very high	96.2	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.014	30%	0.303	C	S	.	.	H	α-helix	trans	-67.2	-24.1	178.7	-62.7	0	0	0	0	113.4	H143 L148 K149 K211 T212 L213	H143-S215 PolarHBondContact CD2-OG 2.69Å; L148-S215 CarbonylContact C-O 3.56Å; L148-S215 WeakPolarHBondContact CA-O 3.4Å; K149-S215 WeakPolarHBondContact CE-OG 3.37Å; K149-S215 PolarHBondContact N-O 2.9Å; K211-S215 WeakPolarHBondContact O-CB 3.5Å; K211-S215 PolarHBondContact O-N 3.43Å; K211-S215 PolarHBondContact O-OG 3.32Å; T212-S215 WeakPolarHBondContact O-CA 3.42Å; T212-S215 VanDerWaalsContact O-CB 3.26Å; T212-S215 WeakPolarHBondContact O-CB 3.5Å; T212-S215 PolarHBondContact O-N 3.16Å; L213-S215 VanDerWaalsContact C-N 3.27Å; L213-S215 PolarHBondContact O-N 2.9Å
216	F	96.4	Very high	96.2	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-119.3	-27.4	-168.4	-76.4	-82.5	0	0	0	113.4	N95 K149 Y151 Y152 V185 T212 L213 E214	N95-F216 HydrophobicContact CB-CD1 4.06Å; N95-F216 HydrophobicContact CB-CE1 4.48Å; N95-F216 PolarHBondContact ND2-O 3.3Å; N95-F216 PolarHBondContact OD1-O 3Å; K149-F216 HydrophobicContact CB-CD1 4.26Å; K149-F216 HydrophobicContact CB-CE1 3.7Å; K149-F216 HydrophobicContact CB-CE2 4.26Å; K149-F216 HydrophobicContact CB-CZ 3.69Å; K149-F216 HydrophobicContact CD-CE1 4.48Å; K149-F216 HydrophobicContact CD-CE2 3.64Å; K149-F216 HydrophobicContact CD-CZ 3.62Å; K149-F216 HydrophobicContact CG-CE2 4.48Å; K149-F216 HydrophobicContact CG-CZ 4.28Å; Y151-F216 VanDerWaalsContact C-CE1 3.48Å; Y151-F216 WeakPolarHBondContact O-CE1 3.42Å; Y151-F216 VanDerWaalsContact O-CZ 3.31Å; Y151-F216 WeakPolarHBondContact O-CZ 3.32Å; Y152-F216 HydrophobicContact CD2-CD2 4.2Å; Y152-F216 HydrophobicContact CD2-CE1 4.24Å; Y152-F216 AromaticContact CD2-CE2 3.45Å; Y152-F216 HydrophobicContact CD2-CE2 3.45Å; Y152-F216 VanDerWaalsContact CD2-CE2 3.45Å; Y152-F216 AromaticContact CD2-CZ 3.47Å; Y152-F216 HydrophobicContact CD2-CZ 3.47Å; Y152-F216 VanDerWaalsContact CD2-CZ 3.47Å; Y152-F216 HydrophobicContact CE2-CE2 4.15Å; Y152-F216 HydrophobicContact CG-CE2 4.43Å; Y152-F216 HydrophobicContact CG-CZ 4.04Å; V185-F216 HydrophobicContact CG1-CB 3.88Å; V185-F216 HydrophobicContact CG1-CD1 3.95Å; V185-F216 HydrophobicContact CG1-CD2 4.35Å; V185-F216 HydrophobicContact CG1-CG 3.79Å; V185-F216 HydrophobicContact CG2-CB 3.86Å; V185-F216 HydrophobicContact CG2-CD2 4.02Å; V185-F216 HydrophobicContact CG2-CG 4.04Å; T212-F216 HydrophobicContact CG2-CD2 4.21Å; T212-F216 VanDerWaalsContact O-CD2 3.3Å; T212-F216 WeakPolarHBondContact O-CD2 3.37Å; T212-F216 PolarHBondContact O-N 2.62Å; L213-F216 PolarHBondContact O-N 3.38Å; E214-F216 PolarHBondContact O-N 3.06Å
217	L	96.1	Very high	96.2	Very high	14 Å²	14	59.5 Å²	59.5	7%	0.073	31%	0.313	C	S	.	.	S	Bend	trans	-104.7	130.8	-174	-53.9	-175.9	0	0	0	111.9	F97 L148 M188 L213 V225	F97-L217 HydrophobicContact CD2-CD2 3.97Å; F97-L217 HydrophobicContact CE2-CD2 3.62Å; L148-L217 WeakPolarHBondContact CD2-O 3.24Å; M188-L217 HydrophobicContact CB-CD2 3.64Å; M188-L217 HydrophobicContact CE-CD2 4.5Å; M188-L217 HydrophobicContact CG-CD1 4.06Å; M188-L217 HydrophobicContact CG-CD2 3.92Å; L213-L217 HydrophobicContact CB-CD1 4.41Å; L213-L217 HydrophobicContact CD2-CD1 3.87Å; L213-L217 WeakPolarHBondContact O-CB 3.45Å; L213-L217 WeakPolarHBondContact O-CG 3.27Å; L213-L217 PolarHBondContact O-N 2.89Å; L217-V225 HydrophobicContact CD1-CG2 3.77Å
218	P	96	Very high	96.2	Very high	22 Å²	22	55.8 Å²	55.8	14%	0.143	29%	0.294	C	S	.	.			trans	-66.6	154.1	175.5	27.8	-34	0	0	0	111	F97 L148 S220 L221	F97-P218 HydrophobicContact CB-CG 4.05Å; F97-P218 HydrophobicContact CD1-CG 4.27Å; F97-P218 HydrophobicContact CG-CG 4.12Å; L148-P218 HydrophobicContact CD1-CB 4.11Å; P218-S220 PolarHBondContact O-N 3.22Å; P218-L221 HydrophobicContact CG-CD1 3.97Å; P218-L221 HydrophobicContact CG-CG 4.02Å; P218-L221 PolarHBondContact O-N 3.11Å
219	P	94.3	Very high	96.3	Very high	85 Å²	85	52.3 Å²	52.3	55%	0.552	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-54.2	-29.5	178.5	-28.6	36	0	0	0	114.8	L221 R222	P219-L221 PolarHBondContact O-N 3.11Å; P219-R222 WeakPolarHBondContact O-CB 3.48Å; P219-R222 WeakPolarHBondContact O-CG 3.21Å; P219-R222 PolarHBondContact O-N 3.15Å
220	S	95.3	Very high	96.3	Very high	92 Å²	92	55.6 Å²	55.6	64%	0.643	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-63.9	-19.7	178.6	53.2	0	0	0	0	114.3	P218	P218-S220 PolarHBondContact O-N 3.22Å
221	L	95.4	Very high	96.4	Very high	20 Å²	20	56.2 Å²	56.2	11%	0.105	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-97.8	-1.7	178	-62.6	-178.8	0	0	0	113.2	F97 M188 P218 P219 S223 R224	F97-L221 HydrophobicContact CD1-CD1 4.07Å; F97-L221 HydrophobicContact CE1-CD1 3.52Å; F97-L221 HydrophobicContact CE2-CD1 4.03Å; F97-L221 HydrophobicContact CZ-CD1 3.49Å; F97-L221 VanDerWaalsContact CZ-CD1 3.49Å; M188-L221 HydrophobicContact CE-CB 4.46Å; M188-L221 HydrophobicContact CE-CD1 3.84Å; P218-L221 HydrophobicContact CG-CD1 3.97Å; P218-L221 HydrophobicContact CG-CG 4.02Å; P218-L221 PolarHBondContact O-N 3.11Å; P219-L221 PolarHBondContact O-N 3.11Å; L221-S223 VanDerWaalsContact C-N 3.25Å; L221-S223 PolarHBondContact O-N 3.22Å; L221-R224 WeakPolarHBondContact O-CB 3.44Å; L221-R224 PolarHBondContact O-N 3.42Å
222	R	88.9	Confident	96.5	Very high	155 Å²	155	51.3 Å²	51.3	59%	0.585	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-58.8	-35	-177.7	-74.5	176.2	179.1	164.2	-2.2	113.2	P219 R224 V225	P219-R222 WeakPolarHBondContact O-CB 3.48Å; P219-R222 WeakPolarHBondContact O-CG 3.21Å; P219-R222 PolarHBondContact O-N 3.15Å; R222-R224 PolarHBondContact O-N 3.41Å; R222-V225 PolarHBondContact O-N 3.29Å; R222-V225 VanDerWaalsContact O-O 3.09Å
223	S	95.1	Very high	96.6	Very high	112 Å²	112	55.3 Å²	55.3	78%	0.783	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-69.3	-13.5	178.3	61.7	0	0	0	0	113.7	L221	L221-S223 VanDerWaalsContact C-N 3.25Å; L221-S223 PolarHBondContact O-N 3.22Å
224	R	97.7	Very high	96.6	Very high	91 Å²	91	57.8 Å²	57.8	34%	0.343	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-97.1	-10.4	178	-64	174.5	175.9	-87.8	-3.9	112.7	P193 L195 L196 L221 R222	P193-R224 PolarHBondContact O-NH1 2.84Å; L195-R224 CarbonylContact C-O 3.49Å; L195-R224 WeakPolarHBondContact CA-O 3.31Å; L196-R224 PolarHBondContact N-O 3.49Å; L221-R224 WeakPolarHBondContact O-CB 3.44Å; L221-R224 PolarHBondContact O-N 3.42Å; R222-R224 PolarHBondContact O-N 3.41Å
225	V	98.2	Very high	96.7	Very high	26 Å²	26	54.1 Å²	54.1	16%	0.158	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.9	-176.4	-176.6	0	0	0	0	109.7	M188 L196 L213 L217 R222	M188-V225 HydrophobicContact CE-CG2 4.32Å; M188-V225 HydrophobicContact SD-CG2 4.27Å; L196-V225 HydrophobicContact CB-CG2 4.41Å; L196-V225 WeakPolarHBondContact O-CA 3.41Å; L213-V225 HydrophobicContact CD1-CG1 3.84Å; L213-V225 HydrophobicContact CD2-CG1 4.47Å; L217-V225 HydrophobicContact CD1-CG2 3.77Å; R222-V225 PolarHBondContact O-N 3.29Å; R222-V225 VanDerWaalsContact O-O 3.09Å
226	M	98.2	Very high	96.7	Very high	78 Å²	78	54.2 Å²	54.2	38%	0.384	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.4	176.1	-177.8	169.7	69.9	0	0	109.1	L195 L196 C197 C198	L195-M226 HydrophobicContact CD1-CB 4.2Å; L196-M226 PolarHBondContact O-N 3.25Å; C197-M226 HydrophobicContact CB-CE 3.95Å; C197-M226 WeakPolarHBondContact SG-CE 3.27Å; C198-M226 PolarHBondContact N-O 3.29Å
227	V	98.3	Very high	96.7	Very high	63 Å²	63	61.5 Å²	61.5	38%	0.382	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.4	169.9	179.7	0	0	0	0	108	C198 L209 L213	C198-V227 WeakPolarHBondContact O-CA 3.5Å; L209-V227 HydrophobicContact CD2-CG1 4.07Å; L213-V227 HydrophobicContact CD1-CG2 3.62Å
228	S	97.5	Very high	96.6	Very high	16 Å²	16	64.5 Å²	64.5	11%	0.112	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	161.4	179.2	64	0	0	0	0	111.7	C198 N199 E200	C198-S228 PolarHBondContact O-N 3.33Å; N199-S228 WeakPolarHBondContact CA-OG 3.35Å; N199-S228 VanDerWaalsContact CB-OG 3.3Å; N199-S228 WeakPolarHBondContact CB-OG 3.27Å; N199-S228 PolarHBondContact OD1-OG 3.08Å; E200-S228 PolarHBondContact N-O 2.84Å
229	A	97.9	Very high	96.7	Very high	56 Å²	56	65.3 Å²	65.3	46%	0.463	36%	0.355	S	S	.	.			trans	-125	27.3	-174	0	0	0	0	0	112	E200 R206	E200-A229 WeakPolarHBondContact O-CA 3.45Å; R206-A229 VanDerWaalsContact CZ-CB 3.4Å
230	Q	98.1	Very high	96.8	Very high	69 Å²	69	64.6 Å²	64.6	32%	0.322	36%	0.356	S	S	.	.			trans	-83.7	155.4	-174.2	-70.2	168.4	-33.6	0	0	110.9	N199 G232 I235	N199-Q230 PolarHBondContact ND2-O 2.98Å; N199-Q230 PolarHBondContact OD1-N 2.93Å; N199-Q230 PolarHBondContact OD1-O 3.36Å; N199-Q230 VanDerWaalsContact OD1-O 3.09Å; Q230-G232 PolarHBondContact O-N 3.3Å; Q230-I235 HydrophobicContact CB-CD1 4.07Å; Q230-I235 HydrophobicContact CB-CG1 4.06Å
231	D	98.2	Very high	96.9	Very high	59 Å²	59	61.9 Å²	61.9	32%	0.316	34%	0.342	S	S	.	.			trans	-66.3	114.7	163.3	-175.6	-16.4	0	0	0	108.7	R233 V234	D231-R233 PolarHBondContact O-N 3.41Å; D231-R233 VanDerWaalsContact OD1-CB 3.29Å; D231-R233 WeakPolarHBondContact OD1-CB 3.4Å; D231-R233 VanDerWaalsContact OD1-CG 3.29Å; D231-R233 WeakPolarHBondContact OD1-CG 3.47Å; D231-R233 IonicContact OD1-CZ 3.76Å; D231-R233 PolarHBondContact OD1-N 2.95Å; D231-R233 IonicContact OD1-NE 3.26Å; D231-R233 PolarHBondContact OD1-NE 3.4Å; D231-R233 IonicContact OD1-NH2 3.54Å; D231-R233 IonicContact OD2-CZ 3.26Å; D231-R233 VanDerWaalsContact OD2-CZ 3.23Å; D231-R233 IonicContact OD2-NE 3.11Å; D231-R233 PolarHBondContact OD2-NE 3.43Å; D231-R233 IonicContact OD2-NH2 2.8Å; D231-R233 PolarHBondContact OD2-NH2 3.17Å; D231-V234 HydrophobicContact CB-CG2 4.22Å; D231-V234 VanDerWaalsContact O-CG2 3.31Å; D231-V234 WeakPolarHBondContact O-CG2 3.35Å; D231-V234 PolarHBondContact O-N 3.24Å; D231-V234 VanDerWaalsContact O-N 3.11Å
232	G	98.3	Very high	97.1	Very high	3 Å²	3	65 Å²	65	3%	0.031	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.5	-177.2	0	0	0	0	0	113.5	Q230 V234 S287	Q230-G232 PolarHBondContact O-N 3.3Å; G232-V234 PolarHBondContact O-N 3.42Å; G232-S287 WeakPolarHBondContact O-CB 3.32Å; G232-S287 PolarHBondContact O-OG 3.46Å
233	R	98.5	Very high	97.5	Very high	107 Å²	107	57.6 Å²	57.6	40%	0.404	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.8	-179.7	-59.8	176.5	-72.8	-179.5	2.7	113.9	D231 L280 Q283 L284 S287	D231-R233 PolarHBondContact O-N 3.41Å; D231-R233 VanDerWaalsContact OD1-CB 3.29Å; D231-R233 WeakPolarHBondContact OD1-CB 3.4Å; D231-R233 VanDerWaalsContact OD1-CG 3.29Å; D231-R233 WeakPolarHBondContact OD1-CG 3.47Å; D231-R233 IonicContact OD1-CZ 3.76Å; D231-R233 PolarHBondContact OD1-N 2.95Å; D231-R233 IonicContact OD1-NE 3.26Å; D231-R233 PolarHBondContact OD1-NE 3.4Å; D231-R233 IonicContact OD1-NH2 3.54Å; D231-R233 IonicContact OD2-CZ 3.26Å; D231-R233 VanDerWaalsContact OD2-CZ 3.23Å; D231-R233 IonicContact OD2-NE 3.11Å; D231-R233 PolarHBondContact OD2-NE 3.43Å; D231-R233 IonicContact OD2-NH2 2.8Å; D231-R233 PolarHBondContact OD2-NH2 3.17Å; R233-L280 HydrophobicContact CG-CD1 4.25Å; R233-Q283 HydrophobicContact CB-CB 4.39Å; R233-Q283 HydrophobicContact CG-CB 3.88Å; R233-L284 HydrophobicContact CG-CD2 3.97Å; R233-L284 HydrophobicContact CG-CG 4.27Å; R233-S287 WeakPolarHBondContact O-CB 3.26Å
234	V	97.9	Very high	97.7	Very high	63 Å²	63	53.5 Å²	53.5	38%	0.382	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-3.8	-177	-55.9	0	0	0	0	113.8	D231 G232 G236 Q237 S238	D231-V234 HydrophobicContact CB-CG2 4.22Å; D231-V234 VanDerWaalsContact O-CG2 3.31Å; D231-V234 WeakPolarHBondContact O-CG2 3.35Å; D231-V234 PolarHBondContact O-N 3.24Å; D231-V234 VanDerWaalsContact O-N 3.11Å; G232-V234 PolarHBondContact O-N 3.42Å; V234-G236 VanDerWaalsContact C-N 3.29Å; V234-G236 PolarHBondContact O-N 3.05Å; V234-Q237 WeakPolarHBondContact O-CB 3.11Å; V234-Q237 PolarHBondContact O-N 3Å; V234-S238 PolarHBondContact O-N 2.9Å
235	I	98.1	Very high	97.7	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-41.2	-179.2	-69.8	-178.7	0	0	0	111.6	L174 L176 N199 Q230 Q237 S238 E239 S287 A291	L174-I235 HydrophobicContact CD2-CG2 3.82Å; L176-I235 HydrophobicContact CD1-CB 4.26Å; L176-I235 HydrophobicContact CD1-CD1 3.71Å; L176-I235 HydrophobicContact CD1-CG1 4.42Å; N199-I235 HydrophobicContact CB-CD1 4.03Å; Q230-I235 HydrophobicContact CB-CD1 4.07Å; Q230-I235 HydrophobicContact CB-CG1 4.06Å; I235-Q237 PolarHBondContact O-N 3.19Å; I235-Q237 VanDerWaalsContact O-N 3.11Å; I235-S238 PolarHBondContact O-N 3.03Å; I235-S238 VanDerWaalsContact O-N 3.1Å; I235-S238 PolarHBondContact O-OG 3.14Å; I235-E239 HydrophobicContact CG2-CB 4.27Å; I235-E239 PolarHBondContact O-N 3.25Å; I235-S287 PolarHBondContact N-OG 3.33Å; I235-A291 HydrophobicContact CG2-CB 4.39Å
236	G	96.9	Very high	97.8	Very high	3 Å²	3	48.8 Å²	48.8	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-20	176.6	0	0	0	0	0	114.7	V234 A240 S287	V234-G236 VanDerWaalsContact C-N 3.29Å; V234-G236 PolarHBondContact O-N 3.05Å; G236-A240 WeakPolarHBondContact O-CA 3.46Å; G236-A240 WeakPolarHBondContact O-CB 3.31Å; G236-S287 VanDerWaalsContact CA-O 3.24Å; G236-S287 WeakPolarHBondContact CA-O 3.25Å; G236-S287 PolarHBondContact N-OG 3.19Å
237	Q	95.2	Very high	97.8	Very high	157 Å²	157	45 Å²	45	73%	0.734	26%	0.258	S	S	*	.	H	α-helix	trans	-83.5	-38.8	174.8	-58.5	174.5	9.2	0	0	111.7	V234 I235	V234-Q237 WeakPolarHBondContact O-CB 3.11Å; V234-Q237 PolarHBondContact O-N 3Å; I235-Q237 PolarHBondContact O-N 3.19Å; I235-Q237 VanDerWaalsContact O-N 3.11Å
238	S	94.8	Very high	97.8	Very high	77 Å²	77	42 Å²	42	54%	0.538	24%	0.24	S	C	.	.	H	α-helix	trans	-84.9	-27.4	-178.1	52.2	0	0	0	0	113.8	V234 I235	V234-S238 PolarHBondContact O-N 2.9Å; I235-S238 PolarHBondContact O-N 3.03Å; I235-S238 VanDerWaalsContact O-N 3.1Å; I235-S238 PolarHBondContact O-OG 3.14Å
239	E	97.3	Very high	97.9	Very high	40 Å²	40	43.1 Å²	43.1	19%	0.187	24%	0.244	C	C	.	.	S	Bend	trans	-129.3	38.8	-171.7	-58.6	-178	-170.5	0	0	110.7	I235 G241 F242 Y243	I235-E239 HydrophobicContact CG2-CB 4.27Å; I235-E239 PolarHBondContact O-N 3.25Å; E239-G241 PolarHBondContact O-N 3.2Å; E239-F242 HydrophobicContact CB-CB 4.2Å; E239-F242 VanDerWaalsContact O-CB 3.26Å; E239-F242 WeakPolarHBondContact O-CB 3.46Å; E239-F242 PolarHBondContact O-N 3.36Å; E239-Y243 HydrophobicContact CB-CE2 4.12Å; E239-Y243 WeakPolarHBondContact OE2-CE2 3.41Å; E239-Y243 PolarHBondContact OE2-OH 3.01Å
240	A	97.4	Very high	97.9	Very high	70 Å²	70	40.7 Å²	40.7	58%	0.579	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	130.3	-179	0	0	0	0	0	111.7	G236 F242 S290	G236-A240 WeakPolarHBondContact O-CA 3.46Å; G236-A240 WeakPolarHBondContact O-CB 3.31Å; A240-F242 PolarHBondContact O-N 3.35Å; A240-F242 VanDerWaalsContact O-N 3.13Å; A240-S290 VanDerWaalsContact CA-O 3.31Å; A240-S290 WeakPolarHBondContact CA-O 3.44Å
241	G	97.4	Very high	97.9	Very high	34 Å²	34	39.5 Å²	39.5	35%	0.351	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	19.8	177.6	0	0	0	0	0	115.7	E239 S290 A291 V292 R293	E239-G241 PolarHBondContact O-N 3.2Å; G241-S290 PolarHBondContact N-O 3.31Å; G241-A291 CarbonylContact C-O 3.53Å; G241-A291 PolarHBondContact N-O 3.37Å; G241-V292 WeakPolarHBondContact CA-O 3.38Å; G241-R293 WeakPolarHBondContact O-CB 3.49Å
242	F	98.3	Very high	97.9	Very high	85 Å²	85	37.4 Å²	37.4	37%	0.373	21%	0.212	S	C	.	.			trans	-85.2	-31.8	-173	-177.8	-108.1	0	0	0	113.7	K172 L195 E239 A240 A291	K172-F242 HydrophobicContact CD-CE1 4.19Å; K172-F242 HydrophobicContact CD-CE2 4.31Å; K172-F242 HydrophobicContact CD-CZ 4.04Å; K172-F242 WeakPolarHBondContact CD-O 3.48Å; L195-F242 HydrophobicContact CD2-CE1 3.68Å; L195-F242 HydrophobicContact CD2-CZ 4.13Å; E239-F242 HydrophobicContact CB-CB 4.2Å; E239-F242 VanDerWaalsContact O-CB 3.26Å; E239-F242 WeakPolarHBondContact O-CB 3.46Å; E239-F242 PolarHBondContact O-N 3.36Å; A240-F242 PolarHBondContact O-N 3.35Å; A240-F242 VanDerWaalsContact O-N 3.13Å; F242-A291 PolarHBondContact N-O 2.9Å
243	Y	98.8	Very high	97.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.3	-171.8	-63.9	-81.4	0	0	0	112	K172 L174 L195 C197 E239 V246 A291 V292 R293	K172-Y243 HydrophobicContact CB-CD1 4.3Å; L174-Y243 HydrophobicContact CB-CD1 3.61Å; L174-Y243 HydrophobicContact CB-CD2 3.9Å; L174-Y243 HydrophobicContact CB-CE1 3.67Å; L174-Y243 HydrophobicContact CB-CE2 3.97Å; L174-Y243 HydrophobicContact CB-CG 3.72Å; L174-Y243 HydrophobicContact CD1-CE1 4.44Å; L174-Y243 HydrophobicContact CD1-CE2 4.39Å; L174-Y243 HydrophobicContact CD2-CD2 3.96Å; L174-Y243 HydrophobicContact CD2-CE2 3.75Å; L174-Y243 HydrophobicContact CG-CE2 4.26Å; L195-Y243 HydrophobicContact CD2-CE1 4.49Å; C197-Y243 HydrophobicContact CB-CE1 3.76Å; C197-Y243 WeakPolarHBondContact CB-OH 3.38Å; C197-Y243 PolarHBondContact SG-OH 2.89Å; C197-Y243 VanDerWaalsContact SG-OH 3.42Å; E239-Y243 HydrophobicContact CB-CE2 4.12Å; E239-Y243 WeakPolarHBondContact OE2-CE2 3.41Å; E239-Y243 PolarHBondContact OE2-OH 3.01Å; Y243-V246 HydrophobicContact CG-CG2 4.46Å; Y243-A291 HydrophobicContact CD2-CB 4.12Å; Y243-A291 PolarHBondContact N-O 3.34Å; Y243-A291 VanDerWaalsContact N-O 3.12Å; Y243-V292 CarbonylContact O-C 3.58Å; Y243-V292 WeakPolarHBondContact O-CA 3.32Å; Y243-V292 VanDerWaalsContact O-CG2 3.32Å; Y243-V292 WeakPolarHBondContact O-CG2 3.4Å; Y243-R293 PolarHBondContact O-N 2.63Å
244	D	98.7	Very high	97.4	Very high	26 Å²	26	35.2 Å²	35.2	14%	0.139	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-36.2	169.7	-64.1	-76.4	0	0	0	111.1	D171 K172 R293 G296 V297	D171-D244 HydrophobicContact CB-CB 4.13Å; K172-D244 WeakPolarHBondContact CB-OD2 2.97Å; K172-D244 PolarHBondContact N-OD2 3.16Å; K172-D244 PolarHBondContact O-N 3.27Å; D244-R293 IonicContact OD1-CZ 2.83Å; D244-R293 IonicContact OD1-NE 3.23Å; D244-R293 PolarHBondContact OD1-NE 2.82Å; D244-R293 IonicContact OD1-NH2 3.39Å; D244-R293 PolarHBondContact OD1-NH2 2.92Å; D244-G296 VanDerWaalsContact O-CA 3.3Å; D244-G296 WeakPolarHBondContact O-CA 3.31Å; D244-V297 PolarHBondContact O-N 2.94Å; D244-V297 VanDerWaalsContact O-N 3.16Å
245	K	98.8	Very high	97.1	Very high	18 Å²	18	32.2 Å²	32.2	8%	0.078	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	135.5	-172.2	-58	-64.2	179.5	171.3	0	110.8	L165 K172 V173 L174 V297	L165-K245 HydrophobicContact CD1-CB 3.94Å; L165-K245 HydrophobicContact CD1-CD 4.35Å; L165-K245 HydrophobicContact CD2-CB 4.29Å; L165-K245 HydrophobicContact CG-CB 4.02Å; L165-K245 WeakPolarHBondContact O-CD 3.24Å; L165-K245 PolarHBondContact O-NZ 2.7Å; K172-K245 PolarHBondContact O-N 3.36Å; V173-K245 CarbonylContact C-O 3.57Å; V173-K245 VanDerWaalsContact CA-O 3.32Å; V173-K245 WeakPolarHBondContact CA-O 3.19Å; V173-K245 HydrophobicContact CG1-CB 4.28Å; V173-K245 HydrophobicContact CG2-CB 4.27Å; L174-K245 PolarHBondContact N-O 3.22Å; K245-V297 CarbonylContact C-O 3.57Å; K245-V297 VanDerWaalsContact CA-O 3.32Å; K245-V297 WeakPolarHBondContact CA-O 3.36Å; K245-V297 HydrophobicContact CD-CB 3.79Å; K245-V297 HydrophobicContact CD-CG2 4.42Å; K245-V297 VanDerWaalsContact NZ-CG2 3.28Å
246	V	98.9	Very high	96.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.3	174.8	-174	0	0	0	0	110.4	L165 L174 Y243 V248 A288 V292 V297 V298 V299	L165-V246 WeakPolarHBondContact CD1-O 3.48Å; L174-V246 HydrophobicContact CB-CB 4.44Å; L174-V246 HydrophobicContact CB-CG1 4.06Å; L174-V246 HydrophobicContact CB-CG2 4.13Å; L174-V246 HydrophobicContact CD2-CG1 3.91Å; L174-V246 HydrophobicContact CD2-CG2 4.4Å; L174-V246 HydrophobicContact CG-CG1 4.08Å; L174-V246 CarbonylContact O-C 3.56Å; L174-V246 WeakPolarHBondContact O-CA 3.42Å; Y243-V246 HydrophobicContact CG-CG2 4.46Å; V246-V248 HydrophobicContact CG1-CG2 4.25Å; V246-A288 HydrophobicContact CB-CB 4.39Å; V246-A288 HydrophobicContact CG1-CB 3.63Å; V246-V292 HydrophobicContact CG2-CB 3.85Å; V246-V292 HydrophobicContact CG2-CG2 4.1Å; V246-V297 PolarHBondContact N-O 2.89Å; V246-V298 HydrophobicContact CB-CG1 4.38Å; V246-V298 HydrophobicContact CB-CG2 4.23Å; V246-V298 CarbonylContact O-C 3.6Å; V246-V298 VanDerWaalsContact O-CA 3.26Å; V246-V298 WeakPolarHBondContact O-CA 3.39Å; V246-V299 PolarHBondContact O-N 2.69Å
247	L	98.9	Very high	96.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.1	170	-179.4	64.7	0	0	0	109.5	P161 L165 L174 L176 K183 I187 V299	P161-L247 HydrophobicContact CB-CD1 3.89Å; L165-L247 HydrophobicContact CD2-CB 4.01Å; L174-L247 PolarHBondContact O-N 2.89Å; L176-L247 WeakPolarHBondContact CB-O 3.15Å; L176-L247 PolarHBondContact N-O 3.19Å; K183-L247 HydrophobicContact CB-CD2 3.79Å; K183-L247 HydrophobicContact CD-CD2 3.85Å; K183-L247 HydrophobicContact CG-CD2 4.46Å; I187-L247 HydrophobicContact CD1-CD2 4.09Å; L247-V299 HydrophobicContact CD1-CB 4.14Å; L247-V299 HydrophobicContact CD1-CG1 4.08Å
248	V	98.9	Very high	96.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	86.3	171.3	-170.6	0	0	0	0	108.2	L176 V246 A250 L284 L285 A288 V298 V299 Y300 S301	L176-V248 HydrophobicContact CB-CG2 4.43Å; L176-V248 HydrophobicContact CD2-CG1 4.25Å; L176-V248 HydrophobicContact CD2-CG2 3.98Å; V246-V248 HydrophobicContact CG1-CG2 4.25Å; V248-A250 VanDerWaalsContact C-N 3.35Å; V248-A250 HydrophobicContact CG1-CB 4.15Å; V248-A250 PolarHBondContact O-N 3.32Å; V248-L284 HydrophobicContact CG1-CB 4.28Å; V248-L285 HydrophobicContact CG2-CD1 4.41Å; V248-A288 HydrophobicContact CG2-CB 3.29Å; V248-V298 HydrophobicContact CG2-CG1 4.06Å; V248-V299 PolarHBondContact N-O 3.01Å; V248-Y300 HydrophobicContact CB-CD2 4.1Å; V248-Y300 HydrophobicContact CG1-CD2 3.9Å; V248-Y300 HydrophobicContact CG1-CE2 4.32Å; V248-S301 PolarHBondContact O-N 3.29Å
249	D	98.6	Very high	95.9	Very high	38 Å²	38	26 Å²	26	20%	0.203	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	82.8	166.9	-175.1	41.4	0	0	0	108.8	C177 K183	C177-D249 WeakPolarHBondContact CB-O 3.46Å; K183-D249 HydrophobicContact CD-CB 3.91Å; K183-D249 WeakPolarHBondContact CE-OD1 3.42Å; K183-D249 IonicContact NZ-OD1 3.95Å; K183-D249 PolarHBondContact NZ-OD1 2.75Å; K183-D249 IonicContact NZ-OD2 3.72Å; K183-D249 PolarHBondContact NZ-OD2 3.46Å
250	A	98.4	Very high	95.4	Very high	6 Å²	6	24.8 Å²	24.8	5%	0.05	15%	0.15	C	C	.	.			trans	-71.7	145.6	-161.4	0	0	0	0	0	112	V248 C252 Q281 Y300 S301	V248-A250 VanDerWaalsContact C-N 3.35Å; V248-A250 HydrophobicContact CG1-CB 4.15Å; V248-A250 PolarHBondContact O-N 3.32Å; A250-C252 PolarHBondContact O-N 2.79Å; A250-Q281 HydrophobicContact CB-CB 4.49Å; A250-Q281 HydrophobicContact CB-CG 3.83Å; A250-Y300 HydrophobicContact CB-CD2 4.45Å; A250-Y300 HydrophobicContact CB-CE2 3.64Å; A250-S301 PolarHBondContact N-O 2.92Å
251	P	97.6	Very high	94.6	Very high	44 Å²	44	21.9 Å²	21.9	29%	0.286	13%	0.125	S	C	.	.			trans	-57.8	125	166.7	26.1	-33.3	0	0	0	109.1	L280 Q281 L284	P251-L280 HydrophobicContact CG-CD2 3.82Å; P251-L280 HydrophobicContact CG-CG 4.43Å; P251-Q281 PolarHBondContact O-NE2 3.14Å; P251-L284 HydrophobicContact CG-CD1 3.97Å
252	C	97.8	Very high	93.5	Very high	14 Å²	14	24.3 Å²	24.3	10%	0.095	14%	0.136	C	C	.	.			trans	-142.2	179.3	-175.2	73.1	0	0	0	0	111.9	A250 N254 T302 C303 T304 E309	A250-C252 PolarHBondContact O-N 2.79Å; C252-N254 PolarHBondContact O-N 2.79Å; C252-N254 PolarHBondContact SG-N 3.05Å; C252-N254 VanDerWaalsContact SG-N 3.43Å; C252-T302 HydrophobicContact CB-CG2 4.42Å; C252-C303 PolarHBondContact SG-N 3.18Å; C252-C303 VanDerWaalsContact SG-N 3.35Å; C252-C303 PolarHBondContact SG-SG 3.13Å; C252-T304 HydrophobicContact CB-CG2 3.87Å; C252-E309 WeakPolarHBondContact CA-OE2 3.46Å; C252-E309 WeakPolarHBondContact CB-OE2 3.42Å
253	S	94.6	Very high	92.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.137	C	C	.	.			trans	-62.6	-8.8	178	64.1	0	0	0	0	114.8	D255 W258 T304 E309	S253-D255 WeakPolarHBondContact CB-OD1 3.42Å; S253-D255 PolarHBondContact O-N 2.98Å; S253-D255 VanDerWaalsContact O-N 3.16Å; S253-D255 PolarHBondContact OG-OD1 3.19Å; S253-W258 VanDerWaalsContact O-CB 3.32Å; S253-W258 WeakPolarHBondContact O-CB 3.4Å; S253-W258 VanDerWaalsContact O-CE2 3.29Å; S253-W258 PolarHBondContact O-NE1 3.35Å; S253-T304 WeakPolarHBondContact OG-CB 3.33Å; S253-T304 PolarHBondContact OG-OG1 3.21Å; S253-E309 WeakPolarHBondContact CB-OE1 3.47Å; S253-E309 PolarHBondContact N-OE2 2.97Å; S253-E309 PolarHBondContact OG-OE1 3.45Å
254	N	92.6	Very high	92.1	Very high	64 Å²	64	28.4 Å²	28.4	34%	0.342	16%	0.161	S	C	.	.			trans	38.4	62	172.2	-169.3	-15.6	0	0	0	112.7	C252 R256 S257 W258	C252-N254 PolarHBondContact O-N 2.79Å; C252-N254 PolarHBondContact SG-N 3.05Å; C252-N254 VanDerWaalsContact SG-N 3.43Å; N254-R256 VanDerWaalsContact C-N 3.25Å; N254-R256 PolarHBondContact O-N 3.2Å; N254-S257 WeakPolarHBondContact O-CA 3.37Å; N254-S257 WeakPolarHBondContact O-CB 3.03Å; N254-S257 PolarHBondContact O-N 3.18Å; N254-S257 WeakPolarHBondContact OD1-CB 3.42Å; N254-W258 PolarHBondContact O-N 3.33Å
255	D	91.9	Very high	91.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.2	-38.1	-157.2	-59.1	-16.2	0	0	0	113.1	F63 Y67 S253 S257 W258 L259 C303 T304 L305	F63-D255 HydrophobicContact CE2-CB 3.81Å; F63-D255 HydrophobicContact CZ-CB 3.93Å; Y67-D255 PolarHBondContact OH-OD1 3.12Å; Y67-D255 PolarHBondContact OH-OD2 2.84Å; S253-D255 WeakPolarHBondContact CB-OD1 3.42Å; S253-D255 PolarHBondContact O-N 2.98Å; S253-D255 VanDerWaalsContact O-N 3.16Å; S253-D255 PolarHBondContact OG-OD1 3.19Å; D255-S257 VanDerWaalsContact C-N 3.32Å; D255-S257 PolarHBondContact O-N 3.3Å; D255-W258 PolarHBondContact O-N 2.68Å; D255-L259 WeakPolarHBondContact O-CB 3.49Å; D255-L259 PolarHBondContact O-N 3.06Å; D255-C303 PolarHBondContact N-O 2.68Å; D255-T304 PolarHBondContact OD1-OG1 2.8Å; D255-T304 VanDerWaalsContact OD2-CA 3.3Å; D255-T304 WeakPolarHBondContact OD2-CA 3.45Å; D255-T304 PolarHBondContact OD2-OG1 2.92Å; D255-L305 PolarHBondContact OD2-N 3.07Å
256	R	91.4	Very high	90.9	Very high	24 Å²	24	39.9 Å²	39.9	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-57.8	-42.6	174.1	-79.4	-169.9	179	-171.1	9.7	112.8	L82 W88 N254 H260 T359 W360 G361	L82-R256 HydrophobicContact CD2-CG 3.42Å; L82-R256 VanDerWaalsContact CD2-CG 3.42Å; W88-R256 HydrophobicContact CH2-CB 3.99Å; W88-R256 HydrophobicContact CH2-CG 4.28Å; W88-R256 HydrophobicContact CZ2-CB 4.24Å; W88-R256 HydrophobicContact CZ2-CG 4.05Å; N254-R256 VanDerWaalsContact C-N 3.25Å; N254-R256 PolarHBondContact O-N 3.2Å; R256-H260 PolarHBondContact O-CD2 3.31Å; R256-T359 PolarHBondContact NH1-O 3.28Å; R256-T359 VanDerWaalsContact NH2-C 3.35Å; R256-T359 PolarHBondContact NH2-O 3.38Å; R256-W360 PolarHBondContact NH2-O 3.15Å; R256-G361 WeakPolarHBondContact CD-O 3.47Å; R256-G361 PolarHBondContact NE-O 2.92Å; R256-G361 PolarHBondContact NH2-O 3.39Å
257	S	88.7	Confident	90.4	Very high	54 Å²	54	39.9 Å²	39.9	38%	0.378	21%	0.209	S	C	.	.	H	α-helix	trans	-78	-36.1	-178.8	-175.4	0	0	0	0	112	N254 D255 R270	N254-S257 WeakPolarHBondContact O-CA 3.37Å; N254-S257 WeakPolarHBondContact O-CB 3.03Å; N254-S257 PolarHBondContact O-N 3.18Å; N254-S257 WeakPolarHBondContact OD1-CB 3.42Å; D255-S257 VanDerWaalsContact C-N 3.32Å; D255-S257 PolarHBondContact O-N 3.3Å; S257-R270 PolarHBondContact O-NH1 3.25Å
258	W	89.9	Confident	90	Very high	27 Å²	27	44.6 Å²	44.6	10%	0.102	23%	0.231	C	C	.	.	H	α-helix	trans	-75	-35.4	-178.4	-77.5	35.2	0	0	0	112.9	V59 S253 N254 D255 H260 S261 R270 R274 L277	V59-W258 HydrophobicContact CG1-CB 4.44Å; S253-W258 VanDerWaalsContact O-CB 3.32Å; S253-W258 WeakPolarHBondContact O-CB 3.4Å; S253-W258 VanDerWaalsContact O-CE2 3.29Å; S253-W258 PolarHBondContact O-NE1 3.35Å; N254-W258 PolarHBondContact O-N 3.33Å; D255-W258 PolarHBondContact O-N 2.68Å; W258-H260 PolarHBondContact O-N 3.16Å; W258-S261 WeakPolarHBondContact O-CB 3.43Å; W258-S261 PolarHBondContact O-N 3.1Å; W258-S261 VanDerWaalsContact O-N 3.14Å; W258-S261 PolarHBondContact O-OG 3.34Å; W258-R270 HydrophobicContact CD2-CB 3.86Å; W258-R270 HydrophobicContact CD2-CG 3.91Å; W258-R270 HydrophobicContact CE3-CB 3.64Å; W258-R270 HydrophobicContact CE3-CG 4.21Å; W258-R270 HydrophobicContact CG-CG 4.39Å; W258-R270 HydrophobicContact CH2-CB 4.09Å; W258-R270 HydrophobicContact CH2-CG 4.42Å; W258-R270 WeakPolarHBondContact CH2-O 3.27Å; W258-R270 HydrophobicContact CZ2-CB 4.35Å; W258-R270 HydrophobicContact CZ2-CG 4.19Å; W258-R270 HydrophobicContact CZ3-CB 3.76Å; W258-R270 HydrophobicContact CZ3-CG 4.45Å; W258-R270 WeakPolarHBondContact CZ3-O 3.16Å; W258-R274 HydrophobicContact CH2-CB 4.31Å; W258-R274 HydrophobicContact CZ3-CB 3.91Å; W258-R274 HydrophobicContact CZ3-CG 4.1Å; W258-L277 HydrophobicContact CH2-CD1 3.92Å; W258-L277 HydrophobicContact CZ2-CD1 4.46Å
259	L	89.1	Confident	89.6	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-58.2	-36.5	175.7	-174.6	59.4	0	0	0	112.3	P55 C56 L60 F63 L82 L83 D255	P55-L259 CarbonylContact C-O 3.46Å; P55-L259 WeakPolarHBondContact CA-O 3.35Å; P55-L259 HydrophobicContact CB-CD1 3.87Å; P55-L259 HydrophobicContact CB-CG 4.07Å; C56-L259 PolarHBondContact N-O 3.24Å; L60-L259 HydrophobicContact CB-CD1 3.83Å; L60-L259 HydrophobicContact CD1-CD1 3.93Å; L60-L259 HydrophobicContact CG-CD1 4.38Å; F63-L259 HydrophobicContact CD2-CD1 4.36Å; F63-L259 HydrophobicContact CE2-CB 4.35Å; L82-L259 HydrophobicContact CB-CD2 3.78Å; L83-L259 HydrophobicContact CD2-CD1 4.27Å; L83-L259 HydrophobicContact CD2-CD2 3.78Å; L83-L259 HydrophobicContact CD2-CG 4.25Å; L83-L259 HydrophobicContact CG-CD2 4.29Å; D255-L259 WeakPolarHBondContact O-CB 3.49Å; D255-L259 PolarHBondContact O-N 3.06Å
260	H	86.3	Confident	89.3	Confident	16 Å²	16	48.9 Å²	48.9	7%	0.074	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	38.6	178.5	-60.1	-81	0	0	0	112.9	R53 L82 P85 W88 R256 W258	R53-H260 HydrophobicContact CB-CB 4.19Å; R53-H260 PolarHBondContact O-ND1 3.05Å; L82-H260 PolarHBondContact O-NE2 2.91Å; L82-H260 VanDerWaalsContact O-NE2 3.12Å; P85-H260 WeakPolarHBondContact CG-CE1 3.34Å; P85-H260 WeakPolarHBondContact CG-NE2 3.41Å; W88-H260 AromaticContact CH2-CD2 3.59Å; W88-H260 AromaticContact CH2-NE2 3.8Å; W88-H260 AromaticContact CZ2-NE2 3.79Å; R256-H260 PolarHBondContact O-CD2 3.31Å; W258-H260 PolarHBondContact O-N 3.16Å
261	S	81.7	Confident	88.9	Confident	9 Å²	9	50.2 Å²	50.2	6%	0.063	25%	0.254	C	S	.	.			trans	-51.2	144.8	170.1	-64.6	0	0	0	0	111.2	W258 D263 R270	W258-S261 WeakPolarHBondContact O-CB 3.43Å; W258-S261 PolarHBondContact O-N 3.1Å; W258-S261 VanDerWaalsContact O-N 3.14Å; W258-S261 PolarHBondContact O-OG 3.34Å; S261-D263 PolarHBondContact O-N 3.1Å; S261-R270 WeakPolarHBondContact OG-CD 3.44Å; S261-R270 PolarHBondContact OG-NH1 3.16Å
262	S	74.4	Confident	88.7	Confident	84 Å²	84	53.6 Å²	53.6	59%	0.587	27%	0.266	S	S	*	.	S	Bend	trans	-61.1	-28.8	-175.7	43.7	0	0	0	0	114.1	R266	S262-R266 VanDerWaalsContact OG-CD 3.26Å; S262-R266 WeakPolarHBondContact OG-CD 3.37Å; S262-R266 PolarHBondContact OG-NH1 2.87Å
263	D	82.6	Confident	88.4	Confident	71 Å²	71	57 Å²	57	38%	0.38	28%	0.284	S	S	.	.	S	Bend	trans	-160	170	-173.6	61.1	84.4	0	0	0	110.7	S261 H265 R266 G267	S261-D263 PolarHBondContact O-N 3.1Å; D263-H265 PolarHBondContact OD1-N 2.89Å; D263-H265 VanDerWaalsContact OD1-N 3.13Å; D263-R266 WeakPolarHBondContact OD1-CB 3.35Å; D263-R266 PolarHBondContact OD1-N 3.39Å; D263-G267 PolarHBondContact O-N 3.12Å
264	I	83.7	Confident	88.4	Confident	101 Å²	101	57.8 Å²	57.8	52%	0.518	29%	0.286	S	S	.	.	H	α-helix	trans	-68.2	-43.6	-176.3	-63.2	174.6	0	0	0	111.7	R266 G267 Q268	I264-R266 VanDerWaalsContact C-N 3.32Å; I264-R266 PolarHBondContact O-N 3.05Å; I264-G267 WeakPolarHBondContact O-CA 3.22Å; I264-G267 PolarHBondContact O-N 3.39Å; I264-Q268 PolarHBondContact O-N 3.2Å
265	H	86.1	Confident	88.3	Confident	159 Å²	159	58.9 Å²	58.9	74%	0.736	31%	0.305	S	S	*	.	H	α-helix	trans	-60.6	-44	-178.2	-69.6	-75.4	0	0	0	111.4	D263 G267 Q268 Q269	D263-H265 PolarHBondContact OD1-N 2.89Å; D263-H265 VanDerWaalsContact OD1-N 3.13Å; H265-G267 VanDerWaalsContact C-N 3.29Å; H265-G267 PolarHBondContact O-N 3.38Å; H265-Q268 WeakPolarHBondContact O-CB 3.21Å; H265-Q268 PolarHBondContact O-N 2.68Å; H265-Q269 PolarHBondContact O-N 2.83Å
266	R	87.6	Confident	88.5	Confident	125 Å²	125	61 Å²	61	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-63.1	-36.3	174.6	-172.9	178	-175.6	169.7	6.2	112.5	S262 D263 I264 R270	S262-R266 VanDerWaalsContact OG-CD 3.26Å; S262-R266 WeakPolarHBondContact OG-CD 3.37Å; S262-R266 PolarHBondContact OG-NH1 2.87Å; D263-R266 WeakPolarHBondContact OD1-CB 3.35Å; D263-R266 PolarHBondContact OD1-N 3.39Å; I264-R266 VanDerWaalsContact C-N 3.32Å; I264-R266 PolarHBondContact O-N 3.05Å; R266-R270 WeakPolarHBondContact O-CB 3.24Å; R266-R270 VanDerWaalsContact O-CG 3.26Å; R266-R270 WeakPolarHBondContact O-CG 3.3Å; R266-R270 PolarHBondContact O-N 2.92Å; R266-R270 VanDerWaalsContact O-N 3.08Å
267	G	87.9	Confident	88.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.5	-45.1	173.5	0	0	0	0	0	112.2	D263 I264 H265 R270 L271	D263-G267 PolarHBondContact O-N 3.12Å; I264-G267 WeakPolarHBondContact O-CA 3.22Å; I264-G267 PolarHBondContact O-N 3.39Å; H265-G267 VanDerWaalsContact C-N 3.29Å; H265-G267 PolarHBondContact O-N 3.38Å; G267-R270 WeakPolarHBondContact O-CB 3.47Å; G267-R270 PolarHBondContact O-N 2.97Å; G267-L271 WeakPolarHBondContact O-CG 3.47Å; G267-L271 PolarHBondContact O-N 3.48Å; G267-L271 VanDerWaalsContact O-N 3.12Å
268	Q	89.4	Confident	89.3	Confident	100 Å²	100	59.8 Å²	59.8	47%	0.467	32%	0.319	S	S	.	.	H	α-helix	trans	-60.2	-50.2	176.7	-161	91.4	17.9	0	0	111.3	I264 H265 R270 L271 E272	I264-Q268 PolarHBondContact O-N 3.2Å; H265-Q268 WeakPolarHBondContact O-CB 3.21Å; H265-Q268 PolarHBondContact O-N 2.68Å; Q268-R270 VanDerWaalsContact C-N 3.28Å; Q268-R270 PolarHBondContact O-N 2.85Å; Q268-L271 WeakPolarHBondContact O-CB 3.22Å; Q268-L271 PolarHBondContact O-N 2.74Å; Q268-E272 PolarHBondContact O-N 2.78Å
269	Q	90.6	Very high	89.7	Confident	95 Å²	95	63.3 Å²	63.3	44%	0.444	34%	0.337	S	S	.	.	H	α-helix	trans	-57.8	-42.5	177.9	-174.2	62.9	56.5	0	0	111.7	H265 L271 E272 D273	H265-Q269 PolarHBondContact O-N 2.83Å; Q269-L271 VanDerWaalsContact C-N 3.29Å; Q269-L271 PolarHBondContact O-N 3.08Å; Q269-E272 WeakPolarHBondContact O-CB 3.14Å; Q269-E272 PolarHBondContact O-N 2.92Å; Q269-E272 VanDerWaalsContact O-N 3.16Å; Q269-D273 PolarHBondContact NE2-OD1 2.79Å; Q269-D273 PolarHBondContact O-N 2.98Å
270	R	92.3	Very high	90.2	Very high	33 Å²	33	65.9 Å²	65.9	13%	0.125	35%	0.35	C	S	.	.	H	α-helix	trans	-59.1	-40.5	176	-82.7	171.6	165.6	-172.8	-13.8	112.1	S257 W258 S261 R266 G267 Q268 D273 R274	S257-R270 PolarHBondContact O-NH1 3.25Å; W258-R270 HydrophobicContact CD2-CB 3.86Å; W258-R270 HydrophobicContact CD2-CG 3.91Å; W258-R270 HydrophobicContact CE3-CB 3.64Å; W258-R270 HydrophobicContact CE3-CG 4.21Å; W258-R270 HydrophobicContact CG-CG 4.39Å; W258-R270 HydrophobicContact CH2-CB 4.09Å; W258-R270 HydrophobicContact CH2-CG 4.42Å; W258-R270 WeakPolarHBondContact CH2-O 3.27Å; W258-R270 HydrophobicContact CZ2-CB 4.35Å; W258-R270 HydrophobicContact CZ2-CG 4.19Å; W258-R270 HydrophobicContact CZ3-CB 3.76Å; W258-R270 HydrophobicContact CZ3-CG 4.45Å; W258-R270 WeakPolarHBondContact CZ3-O 3.16Å; S261-R270 WeakPolarHBondContact OG-CD 3.44Å; S261-R270 PolarHBondContact OG-NH1 3.16Å; R266-R270 WeakPolarHBondContact O-CB 3.24Å; R266-R270 VanDerWaalsContact O-CG 3.26Å; R266-R270 WeakPolarHBondContact O-CG 3.3Å; R266-R270 PolarHBondContact O-N 2.92Å; R266-R270 VanDerWaalsContact O-N 3.08Å; G267-R270 WeakPolarHBondContact O-CB 3.47Å; G267-R270 PolarHBondContact O-N 2.97Å; Q268-R270 VanDerWaalsContact C-N 3.28Å; Q268-R270 PolarHBondContact O-N 2.85Å; R270-D273 PolarHBondContact O-N 2.81Å; R270-R274 WeakPolarHBondContact O-CB 3.35Å; R270-R274 PolarHBondContact O-N 2.92Å
271	L	91.7	Very high	90.8	Very high	34 Å²	34	65.1 Å²	65.1	18%	0.178	35%	0.347	C	S	.	.	H	α-helix	trans	-66.4	-37.4	176.4	-66.8	177	0	0	0	112.2	A58 V59 H62 G267 Q268 Q269 R274	A58-L271 HydrophobicContact CB-CD1 4.31Å; V59-L271 HydrophobicContact CG2-CG 4.33Å; H62-L271 HydrophobicContact CB-CD1 4.03Å; H62-L271 HydrophobicContact CB-CD2 3.95Å; H62-L271 VanDerWaalsContact CD2-CD2 3.41Å; H62-L271 WeakPolarHBondContact CD2-CD2 3.33Å; G267-L271 WeakPolarHBondContact O-CG 3.47Å; G267-L271 PolarHBondContact O-N 3.48Å; G267-L271 VanDerWaalsContact O-N 3.12Å; Q268-L271 WeakPolarHBondContact O-CB 3.22Å; Q268-L271 PolarHBondContact O-N 2.74Å; Q269-L271 VanDerWaalsContact C-N 3.29Å; Q269-L271 PolarHBondContact O-N 3.08Å; L271-R274 VanDerWaalsContact O-CB 3.27Å; L271-R274 WeakPolarHBondContact O-CB 3.49Å; L271-R274 PolarHBondContact O-N 3.34Å
272	E	92	Very high	91.6	Very high	114 Å²	114	65.1 Å²	65.1	53%	0.533	35%	0.346	S	S	.	.	H	α-helix	trans	-63.5	-47.5	172.9	-66.7	171.1	-166.8	0	0	111	Q268 Q269 R274 A275	Q268-E272 PolarHBondContact O-N 2.78Å; Q269-E272 WeakPolarHBondContact O-CB 3.14Å; Q269-E272 PolarHBondContact O-N 2.92Å; Q269-E272 VanDerWaalsContact O-N 3.16Å; E272-R274 PolarHBondContact O-N 2.56Å; E272-A275 PolarHBondContact O-N 3.42Å
273	D	92.3	Very high	92.7	Very high	87 Å²	87	63.8 Å²	63.8	47%	0.465	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-32	177.5	-61.5	-15.7	0	0	0	111.7	Q269 R270 A275 G276	Q269-D273 PolarHBondContact NE2-OD1 2.79Å; Q269-D273 PolarHBondContact O-N 2.98Å; R270-D273 PolarHBondContact O-N 2.81Å; D273-A275 PolarHBondContact O-N 3.45Å; D273-G276 PolarHBondContact O-N 3.02Å
274	R	93.8	Very high	93.5	Very high	15 Å²	15	60.8 Å²	60.8	6%	0.057	32%	0.315	C	S	.	.	H	α-helix	trans	-56.3	-36.1	-178.5	-160.7	175.6	175.7	-159.8	-9.8	112.8	H62 Y67 W258 R270 L271 E272 G276 L277 S306 E309	H62-R274 PolarHBondContact CD2-NH1 3.47Å; H62-R274 PolarHBondContact NE2-NH1 2.63Å; Y67-R274 PolarHBondContact OH-NH2 2.65Å; W258-R274 HydrophobicContact CH2-CB 4.31Å; W258-R274 HydrophobicContact CZ3-CB 3.91Å; W258-R274 HydrophobicContact CZ3-CG 4.1Å; R270-R274 WeakPolarHBondContact O-CB 3.35Å; R270-R274 PolarHBondContact O-N 2.92Å; L271-R274 VanDerWaalsContact O-CB 3.27Å; L271-R274 WeakPolarHBondContact O-CB 3.49Å; L271-R274 PolarHBondContact O-N 3.34Å; E272-R274 PolarHBondContact O-N 2.56Å; R274-G276 PolarHBondContact O-N 3.06Å; R274-L277 HydrophobicContact CG-CD1 4.2Å; R274-L277 WeakPolarHBondContact O-CB 3.27Å; R274-L277 PolarHBondContact O-N 3.33Å; R274-L277 VanDerWaalsContact O-N 3.15Å; R274-S306 PolarHBondContact NH2-OG 2.93Å; R274-E309 IonicContact CZ-OE1 3.89Å; R274-E309 IonicContact NE-OE1 3.35Å; R274-E309 PolarHBondContact NE-OE1 3.03Å; R274-E309 VanDerWaalsContact NE-OE1 3.11Å; R274-E309 IonicContact NH2-OE1 2.84Å
275	A	91.6	Very high	94.2	Very high	88 Å²	88	56 Å²	56	73%	0.727	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.6	-176.6	0	0	0	0	0	112.9	E272 D273	E272-A275 PolarHBondContact O-N 3.42Å; D273-A275 PolarHBondContact O-N 3.45Å
276	G	96.2	Very high	94.8	Very high	44 Å²	44	52.2 Å²	52.2	45%	0.454	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.2	178.8	0	0	0	0	0	114.9	D273 R274 L280	D273-G276 PolarHBondContact O-N 3.02Å; R274-G276 PolarHBondContact O-N 3.06Å; G276-L280 PolarHBondContact O-N 3.28Å
277	L	98	Very high	95.4	Very high	21 Å²	21	46.5 Å²	46.5	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-66.6	-45.6	-173.4	-67.6	174.1	0	0	0	113.6	W258 R274 E279 L280 Q281	W258-L277 HydrophobicContact CH2-CD1 3.92Å; W258-L277 HydrophobicContact CZ2-CD1 4.46Å; R274-L277 HydrophobicContact CG-CD1 4.2Å; R274-L277 WeakPolarHBondContact O-CB 3.27Å; R274-L277 PolarHBondContact O-N 3.33Å; R274-L277 VanDerWaalsContact O-N 3.15Å; L277-E279 VanDerWaalsContact C-N 3.29Å; L277-E279 PolarHBondContact O-N 2.92Å; L277-L280 PolarHBondContact O-N 3.34Å; L277-Q281 WeakPolarHBondContact O-CB 3.5Å; L277-Q281 WeakPolarHBondContact O-CG 3.29Å; L277-Q281 PolarHBondContact O-N 3.04Å
278	P	98.4	Very high	95.9	Very high	32 Å²	32	46.5 Å²	46.5	21%	0.208	25%	0.249	C	C	.	.	H	α-helix	trans	-57.6	-38.9	179.3	-28.7	37.7	0	0	0	113.8	Q281 T282 L308 E309 V313	P278-Q281 PolarHBondContact O-N 3.17Å; P278-T282 VanDerWaalsContact O-CB 3.31Å; P278-T282 WeakPolarHBondContact O-CB 3.35Å; P278-T282 PolarHBondContact O-N 3.16Å; P278-T282 PolarHBondContact O-OG1 2.96Å; P278-L308 WeakPolarHBondContact CB-O 3.4Å; P278-L308 HydrophobicContact CG-CB 4.34Å; P278-E309 HydrophobicContact CG-CG 4.09Å; P278-V313 HydrophobicContact CB-CG2 4.23Å
279	E	98.4	Very high	96.3	Very high	101 Å²	101	42 Å²	42	47%	0.472	23%	0.228	S	C	.	.	H	α-helix	trans	-67.5	-45.5	178	178.5	56.7	-152.7	0	0	111.2	L277 Q281 T282 Q283	L277-E279 VanDerWaalsContact C-N 3.29Å; L277-E279 PolarHBondContact O-N 2.92Å; E279-Q281 VanDerWaalsContact C-N 3.34Å; E279-Q281 PolarHBondContact O-N 2.82Å; E279-T282 WeakPolarHBondContact O-CB 3.34Å; E279-T282 PolarHBondContact O-N 3.02Å; E279-Q283 VanDerWaalsContact O-CG 3.32Å; E279-Q283 WeakPolarHBondContact O-CG 3.34Å; E279-Q283 PolarHBondContact O-N 3.24Å; E279-Q283 PolarHBondContact OE1-NE2 3.29Å
280	L	98.6	Very high	96.6	Very high	55 Å²	55	39.8 Å²	39.8	29%	0.288	22%	0.223	S	C	.	.	H	α-helix	trans	-59.7	-45.8	174.7	174	60.7	0	0	0	111.5	R233 P251 G276 L277 T282 Q283 L284	R233-L280 HydrophobicContact CG-CD1 4.25Å; P251-L280 HydrophobicContact CG-CD2 3.82Å; P251-L280 HydrophobicContact CG-CG 4.43Å; G276-L280 PolarHBondContact O-N 3.28Å; L277-L280 PolarHBondContact O-N 3.34Å; L280-T282 VanDerWaalsContact C-N 3.33Å; L280-T282 PolarHBondContact O-N 2.91Å; L280-Q283 PolarHBondContact O-N 3.47Å; L280-L284 HydrophobicContact CD1-CD1 4.14Å; L280-L284 HydrophobicContact CD1-CG 4.25Å; L280-L284 HydrophobicContact CG-CD1 4.03Å; L280-L284 VanDerWaalsContact O-CG 3.31Å; L280-L284 WeakPolarHBondContact O-CG 3.43Å; L280-L284 PolarHBondContact O-N 3.15Å
281	Q	98.8	Very high	96.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.8	-41.5	178.8	-70.4	162.1	-3.8	0	0	111.5	A250 P251 L277 P278 E279 L284 L285 Y300 E309 V313	A250-Q281 HydrophobicContact CB-CB 4.49Å; A250-Q281 HydrophobicContact CB-CG 3.83Å; P251-Q281 PolarHBondContact O-NE2 3.14Å; L277-Q281 WeakPolarHBondContact O-CB 3.5Å; L277-Q281 WeakPolarHBondContact O-CG 3.29Å; L277-Q281 PolarHBondContact O-N 3.04Å; P278-Q281 PolarHBondContact O-N 3.17Å; E279-Q281 VanDerWaalsContact C-N 3.34Å; E279-Q281 PolarHBondContact O-N 2.82Å; Q281-L284 PolarHBondContact O-N 3.44Å; Q281-L285 WeakPolarHBondContact O-CB 3.43Å; Q281-L285 PolarHBondContact O-N 3.23Å; Q281-Y300 HydrophobicContact CB-CE2 4.29Å; Q281-Y300 WeakPolarHBondContact CB-OH 3.25Å; Q281-Y300 PolarHBondContact OE1-OH 3.14Å; Q281-E309 PolarHBondContact NE2-OE2 3.15Å; Q281-E309 VanDerWaalsContact OE1-CB 3.23Å; Q281-E309 PolarHBondContact OE1-O 3.29Å; Q281-V313 HydrophobicContact CB-CG1 3.99Å; Q281-V313 HydrophobicContact CB-CG2 3.94Å
282	T	98.8	Very high	97.2	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.049	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-49.6	173.6	-62.3	0	0	0	0	110.7	P278 E279 L280 L284 L285 R286 A316 V317	P278-T282 VanDerWaalsContact O-CB 3.31Å; P278-T282 WeakPolarHBondContact O-CB 3.35Å; P278-T282 PolarHBondContact O-N 3.16Å; P278-T282 PolarHBondContact O-OG1 2.96Å; E279-T282 WeakPolarHBondContact O-CB 3.34Å; E279-T282 PolarHBondContact O-N 3.02Å; L280-T282 VanDerWaalsContact C-N 3.33Å; L280-T282 PolarHBondContact O-N 2.91Å; T282-L284 VanDerWaalsContact C-N 3.33Å; T282-L284 PolarHBondContact O-N 2.89Å; T282-L285 PolarHBondContact O-N 3.14Å; T282-R286 VanDerWaalsContact CG2-CZ 3.5Å; T282-R286 WeakPolarHBondContact O-CG 3.39Å; T282-R286 PolarHBondContact O-N 3.27Å; T282-A316 HydrophobicContact CG2-CB 4.41Å; T282-V317 HydrophobicContact CG2-CG2 3.76Å
283	Q	98.8	Very high	97.5	Very high	57 Å²	57	36.4 Å²	36.4	27%	0.266	20%	0.203	S	C	.	.	H	α-helix	trans	-60.4	-41.3	178.1	-68.1	169.9	8.4	0	0	112.4	R233 E279 L280 S287	R233-Q283 HydrophobicContact CB-CB 4.39Å; R233-Q283 HydrophobicContact CG-CB 3.88Å; E279-Q283 VanDerWaalsContact O-CG 3.32Å; E279-Q283 WeakPolarHBondContact O-CG 3.34Å; E279-Q283 PolarHBondContact O-N 3.24Å; E279-Q283 PolarHBondContact OE1-NE2 3.29Å; L280-Q283 PolarHBondContact O-N 3.47Å; Q283-S287 WeakPolarHBondContact O-CB 3.33Å; Q283-S287 PolarHBondContact O-N 2.74Å; Q283-S287 VanDerWaalsContact O-N 3.13Å
284	L	98.9	Very high	97.7	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-65.3	-44.2	176.7	-71.4	168.9	0	0	0	111.9	L176 R233 V248 P251 L280 Q281 T282 S287 A288	L176-L284 HydrophobicContact CD2-CB 4.09Å; L176-L284 HydrophobicContact CD2-CD2 4.02Å; L176-L284 WeakPolarHBondContact CD2-O 3.37Å; R233-L284 HydrophobicContact CG-CD2 3.97Å; R233-L284 HydrophobicContact CG-CG 4.27Å; V248-L284 HydrophobicContact CG1-CB 4.28Å; P251-L284 HydrophobicContact CG-CD1 3.97Å; L280-L284 HydrophobicContact CD1-CD1 4.14Å; L280-L284 HydrophobicContact CD1-CG 4.25Å; L280-L284 HydrophobicContact CG-CD1 4.03Å; L280-L284 VanDerWaalsContact O-CG 3.31Å; L280-L284 WeakPolarHBondContact O-CG 3.43Å; L280-L284 PolarHBondContact O-N 3.15Å; Q281-L284 PolarHBondContact O-N 3.44Å; T282-L284 VanDerWaalsContact C-N 3.33Å; T282-L284 PolarHBondContact O-N 2.89Å; L284-S287 WeakPolarHBondContact O-CB 3.29Å; L284-S287 PolarHBondContact O-N 2.8Å; L284-A288 PolarHBondContact O-N 3.24Å
285	L	98.8	Very high	97.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.2	-39.6	179.7	-178.9	57.4	0	0	0	112	V248 Q281 T282 S287 A288 I289 V298 Y300 V313 V314 V317 I368	V248-L285 HydrophobicContact CG2-CD1 4.41Å; Q281-L285 WeakPolarHBondContact O-CB 3.43Å; Q281-L285 PolarHBondContact O-N 3.23Å; T282-L285 PolarHBondContact O-N 3.14Å; L285-S287 VanDerWaalsContact C-N 3.34Å; L285-S287 PolarHBondContact O-N 3.18Å; L285-A288 WeakPolarHBondContact O-CB 3.45Å; L285-A288 PolarHBondContact O-N 2.9Å; L285-I289 HydrophobicContact CD1-CG1 4.44Å; L285-I289 HydrophobicContact CG-CD1 4.49Å; L285-I289 WeakPolarHBondContact O-CG1 3.33Å; L285-I289 PolarHBondContact O-N 3.44Å; L285-V298 HydrophobicContact CD1-CG1 3.85Å; L285-Y300 HydrophobicContact CB-CD2 4.27Å; L285-Y300 HydrophobicContact CD1-CD2 4.2Å; L285-Y300 HydrophobicContact CD1-CG 4.38Å; L285-Y300 HydrophobicContact CD2-CD2 4.08Å; L285-Y300 HydrophobicContact CD2-CG 4.07Å; L285-Y300 HydrophobicContact CG-CD2 4.41Å; L285-V313 HydrophobicContact CD2-CG1 4.12Å; L285-V314 HydrophobicContact CD2-CG2 4.3Å; L285-V317 HydrophobicContact CB-CG2 4.04Å; L285-V317 HydrophobicContact CD2-CB 4.13Å; L285-V317 HydrophobicContact CD2-CG1 4.44Å; L285-V317 HydrophobicContact CD2-CG2 3.95Å; L285-V317 HydrophobicContact CG-CB 4.32Å; L285-V317 HydrophobicContact CG-CG1 4.16Å; L285-V317 HydrophobicContact CG-CG2 4.02Å; L285-I368 HydrophobicContact CD1-CD1 4.14Å; L285-I368 HydrophobicContact CD2-CD1 4.17Å
286	R	98.6	Very high	98.2	Very high	79 Å²	79	32 Å²	32	30%	0.298	18%	0.18	S	C	.	.	H	α-helix	trans	-56.3	-49.1	171.1	-70	-173.7	176.4	124.8	-0.9	111.4	T282 A288 I289 S290 V317 D320 F321	T282-R286 VanDerWaalsContact CG2-CZ 3.5Å; T282-R286 WeakPolarHBondContact O-CG 3.39Å; T282-R286 PolarHBondContact O-N 3.27Å; R286-A288 VanDerWaalsContact C-N 3.3Å; R286-A288 PolarHBondContact O-N 3.11Å; R286-I289 PolarHBondContact O-N 3.4Å; R286-S290 PolarHBondContact O-N 2.75Å; R286-S290 PolarHBondContact O-OG 3.37Å; R286-V317 HydrophobicContact CG-CB 4.46Å; R286-V317 HydrophobicContact CG-CG1 4.02Å; R286-V317 HydrophobicContact CG-CG2 3.84Å; R286-D320 IonicContact CZ-OD2 2.99Å; R286-D320 IonicContact NE-OD2 2.67Å; R286-D320 PolarHBondContact NE-OD2 3.04Å; R286-D320 IonicContact NH2-OD2 3.88Å; R286-D320 PolarHBondContact NH2-OD2 3.42Å; R286-F321 HydrophobicContact CB-CE2 4.11Å; R286-F321 HydrophobicContact CG-CE2 4.02Å
287	S	98.6	Very high	98.3	Very high	6 Å²	6	30 Å²	30	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-59.3	-40.5	177.7	-178.3	0	0	0	0	112	G232 R233 I235 G236 Q283 L284 L285 S290 A291	G232-S287 WeakPolarHBondContact O-CB 3.32Å; G232-S287 PolarHBondContact O-OG 3.46Å; R233-S287 WeakPolarHBondContact O-CB 3.26Å; I235-S287 PolarHBondContact N-OG 3.33Å; G236-S287 VanDerWaalsContact CA-O 3.24Å; G236-S287 WeakPolarHBondContact CA-O 3.25Å; G236-S287 PolarHBondContact N-OG 3.19Å; Q283-S287 WeakPolarHBondContact O-CB 3.33Å; Q283-S287 PolarHBondContact O-N 2.74Å; Q283-S287 VanDerWaalsContact O-N 3.13Å; L284-S287 WeakPolarHBondContact O-CB 3.29Å; L284-S287 PolarHBondContact O-N 2.8Å; L285-S287 VanDerWaalsContact C-N 3.34Å; L285-S287 PolarHBondContact O-N 3.18Å; S287-S290 PolarHBondContact O-N 3.09Å; S287-A291 WeakPolarHBondContact O-CB 3.04Å; S287-A291 PolarHBondContact O-N 3.13Å
288	A	98.6	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-42.3	176.7	0	0	0	0	0	113.2	L176 V246 V248 L284 L285 R286 S290 A291 V292 V298	L176-A288 HydrophobicContact CD2-CB 4.26Å; V246-A288 HydrophobicContact CB-CB 4.39Å; V246-A288 HydrophobicContact CG1-CB 3.63Å; V248-A288 HydrophobicContact CG2-CB 3.29Å; L284-A288 PolarHBondContact O-N 3.24Å; L285-A288 WeakPolarHBondContact O-CB 3.45Å; L285-A288 PolarHBondContact O-N 2.9Å; R286-A288 VanDerWaalsContact C-N 3.3Å; R286-A288 PolarHBondContact O-N 3.11Å; A288-S290 VanDerWaalsContact C-N 3.33Å; A288-A291 PolarHBondContact O-N 2.96Å; A288-V292 PolarHBondContact O-N 2.57Å; A288-V292 VanDerWaalsContact O-N 3.11Å; A288-V298 HydrophobicContact CB-CG1 3.84Å
289	I	98.4	Very high	98.3	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-65.7	-37.5	176.4	-64.6	176.8	0	0	0	110.8	L285 R286 V292 V298 V317 F321 I368	L285-I289 HydrophobicContact CD1-CG1 4.44Å; L285-I289 HydrophobicContact CG-CD1 4.49Å; L285-I289 WeakPolarHBondContact O-CG1 3.33Å; L285-I289 PolarHBondContact O-N 3.44Å; R286-I289 PolarHBondContact O-N 3.4Å; I289-V292 WeakPolarHBondContact O-CG1 3.43Å; I289-V298 HydrophobicContact CG1-CG2 4.12Å; I289-V317 HydrophobicContact CD1-CG1 3.42Å; I289-V317 VanDerWaalsContact CD1-CG1 3.42Å; I289-F321 HydrophobicContact CB-CD1 4.38Å; I289-F321 HydrophobicContact CB-CE1 4.23Å; I289-F321 HydrophobicContact CB-CE2 4.45Å; I289-F321 HydrophobicContact CB-CZ 4.26Å; I289-F321 HydrophobicContact CD1-CD2 4.21Å; I289-F321 HydrophobicContact CD1-CG 4.41Å; I289-F321 HydrophobicContact CG2-CB 4.38Å; I289-F321 HydrophobicContact CG2-CD1 3.43Å; I289-F321 VanDerWaalsContact CG2-CD1 3.43Å; I289-F321 HydrophobicContact CG2-CD2 4.27Å; I289-F321 HydrophobicContact CG2-CE1 3.64Å; I289-F321 HydrophobicContact CG2-CE2 4.45Å; I289-F321 HydrophobicContact CG2-CG 3.77Å; I289-F321 HydrophobicContact CG2-CZ 4.15Å; I289-I368 HydrophobicContact CD1-CD1 4.42Å; I289-I368 HydrophobicContact CD1-CG2 4.37Å
290	S	97.8	Very high	98.4	Very high	48 Å²	48	22.7 Å²	22.7	34%	0.336	12%	0.122	S	C	.	.	H	α-helix	trans	-70.6	-30.6	174.1	-56	0	0	0	0	113.5	A240 G241 R286 S287 A288	A240-S290 VanDerWaalsContact CA-O 3.31Å; A240-S290 WeakPolarHBondContact CA-O 3.44Å; G241-S290 PolarHBondContact N-O 3.31Å; R286-S290 PolarHBondContact O-N 2.75Å; R286-S290 PolarHBondContact O-OG 3.37Å; S287-S290 PolarHBondContact O-N 3.09Å; A288-S290 VanDerWaalsContact C-N 3.33Å
291	A	98.3	Very high	98.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-76.4	-25	-179.8	0	0	0	0	0	113.3	L174 I235 G241 F242 Y243 S287 A288	L174-A291 HydrophobicContact CD2-CB 4.26Å; I235-A291 HydrophobicContact CG2-CB 4.39Å; G241-A291 CarbonylContact C-O 3.53Å; G241-A291 PolarHBondContact N-O 3.37Å; F242-A291 PolarHBondContact N-O 2.9Å; Y243-A291 HydrophobicContact CD2-CB 4.12Å; Y243-A291 PolarHBondContact N-O 3.34Å; Y243-A291 VanDerWaalsContact N-O 3.12Å; S287-A291 WeakPolarHBondContact O-CB 3.04Å; S287-A291 PolarHBondContact O-N 3.13Å; A288-A291 PolarHBondContact O-N 2.96Å
292	V	98.5	Very high	98.4	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.03	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	141.2	179.1	83.6	0	0	0	0	110.3	G241 Y243 V246 A288 I289 V298	G241-V292 WeakPolarHBondContact CA-O 3.38Å; Y243-V292 CarbonylContact O-C 3.58Å; Y243-V292 WeakPolarHBondContact O-CA 3.32Å; Y243-V292 VanDerWaalsContact O-CG2 3.32Å; Y243-V292 WeakPolarHBondContact O-CG2 3.4Å; V246-V292 HydrophobicContact CG2-CB 3.85Å; V246-V292 HydrophobicContact CG2-CG2 4.1Å; A288-V292 PolarHBondContact O-N 2.57Å; A288-V292 VanDerWaalsContact O-N 3.11Å; I289-V292 WeakPolarHBondContact O-CG1 3.43Å; V292-V298 HydrophobicContact CB-CG2 3.97Å; V292-V298 HydrophobicContact CG1-CG2 3.71Å; V292-V298 HydrophobicContact CG2-CG2 4.45Å
293	R	97.9	Very high	98.3	Very high	104 Å²	104	21.1 Å²	21.1	39%	0.392	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	160.7	175.6	72.9	169.7	175.2	84.5	-4.6	111.5	G241 Y243 D244 G295 G296	G241-R293 WeakPolarHBondContact O-CB 3.49Å; Y243-R293 PolarHBondContact O-N 2.63Å; D244-R293 IonicContact OD1-CZ 2.83Å; D244-R293 IonicContact OD1-NE 3.23Å; D244-R293 PolarHBondContact OD1-NE 2.82Å; D244-R293 IonicContact OD1-NH2 3.39Å; D244-R293 PolarHBondContact OD1-NH2 2.92Å; R293-G295 PolarHBondContact O-N 2.92Å; R293-G296 WeakPolarHBondContact O-CA 3.34Å; R293-G296 PolarHBondContact O-N 2.77Å
294	P	96.9	Very high	98.2	Very high	67 Å²	67	18.4 Å²	18.4	44%	0.435	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	134.6	169.7	-22.7	34.1	0	0	0	111.1	G296 S372	P294-G296 PolarHBondContact O-N 3.48Å; P294-S372 WeakPolarHBondContact CG-OXT 3.33Å
295	G	96.5	Very high	98.2	Very high	30 Å²	30	18.2 Å²	18.2	31%	0.309	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.3	-1.9	-172	0	0	0	0	0	114.9	R293 R369 S370	R293-G295 PolarHBondContact O-N 2.92Å; G295-R369 VanDerWaalsContact O-CD 3.29Å; G295-R369 WeakPolarHBondContact O-CD 3.28Å; G295-R369 PolarHBondContact O-NH1 3.18Å; G295-S370 CarbonylContact C-O 3.59Å; G295-S370 WeakPolarHBondContact CA-O 2.95Å; G295-S370 PolarHBondContact N-O 3.16Å
296	G	97.9	Very high	98.2	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.021	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	171.2	178	0	0	0	0	0	112.9	D244 R293 P294 R369 S370	D244-G296 VanDerWaalsContact O-CA 3.3Å; D244-G296 WeakPolarHBondContact O-CA 3.31Å; R293-G296 WeakPolarHBondContact O-CA 3.34Å; R293-G296 PolarHBondContact O-N 2.77Å; P294-G296 PolarHBondContact O-N 3.48Å; G296-R369 WeakPolarHBondContact O-CD 3.42Å; G296-S370 PolarHBondContact O-N 2.65Å; G296-S370 VanDerWaalsContact O-N 3.14Å
297	V	98.4	Very high	98.1	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.5	-172.6	175.7	0	0	0	0	111.5	L165 D244 K245 V246 V299 R367 I368	L165-V297 HydrophobicContact CD1-CG1 4.35Å; D244-V297 PolarHBondContact O-N 2.94Å; D244-V297 VanDerWaalsContact O-N 3.16Å; K245-V297 CarbonylContact C-O 3.57Å; K245-V297 VanDerWaalsContact CA-O 3.32Å; K245-V297 WeakPolarHBondContact CA-O 3.36Å; K245-V297 HydrophobicContact CD-CB 3.79Å; K245-V297 HydrophobicContact CD-CG2 4.42Å; K245-V297 VanDerWaalsContact NZ-CG2 3.28Å; V246-V297 PolarHBondContact N-O 2.89Å; V297-V299 HydrophobicContact CG1-CG2 4.33Å; V297-R367 HydrophobicContact CG1-CG 3.57Å; V297-I368 WeakPolarHBondContact CA-O 3.44Å
298	V	98.8	Very high	98.1	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.3	166.9	-173.5	0	0	0	0	109	V246 V248 L285 A288 I289 V292 I368	V246-V298 HydrophobicContact CB-CG1 4.38Å; V246-V298 HydrophobicContact CB-CG2 4.23Å; V246-V298 CarbonylContact O-C 3.6Å; V246-V298 VanDerWaalsContact O-CA 3.26Å; V246-V298 WeakPolarHBondContact O-CA 3.39Å; V248-V298 HydrophobicContact CG2-CG1 4.06Å; L285-V298 HydrophobicContact CD1-CG1 3.85Å; A288-V298 HydrophobicContact CB-CG1 3.84Å; I289-V298 HydrophobicContact CG1-CG2 4.12Å; V292-V298 HydrophobicContact CB-CG2 3.97Å; V292-V298 HydrophobicContact CG1-CG2 3.71Å; V292-V298 HydrophobicContact CG2-CG2 4.45Å; V298-I368 HydrophobicContact CB-CB 4.48Å; V298-I368 PolarHBondContact N-O 2.97Å; V298-I368 PolarHBondContact O-N 3.43Å
299	V	98.9	Very high	98.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.4	165.2	173.2	0	0	0	0	108.9	P161 A164 L165 V246 L247 V248 V297 S366 R367	P161-V299 HydrophobicContact CB-CG1 3.91Å; A164-V299 HydrophobicContact CB-CG1 4.37Å; A164-V299 HydrophobicContact CB-CG2 3.98Å; L165-V299 HydrophobicContact CB-CG2 3.95Å; L165-V299 HydrophobicContact CD1-CB 4.06Å; L165-V299 HydrophobicContact CD1-CG2 3.75Å; L165-V299 HydrophobicContact CG-CG2 4.49Å; V246-V299 PolarHBondContact O-N 2.69Å; L247-V299 HydrophobicContact CD1-CB 4.14Å; L247-V299 HydrophobicContact CD1-CG1 4.08Å; V248-V299 PolarHBondContact N-O 3.01Å; V297-V299 HydrophobicContact CG1-CG2 4.33Å; V299-S366 WeakPolarHBondContact CA-O 3.42Å; V299-R367 HydrophobicContact CG2-CB 4.29Å; V299-R367 HydrophobicContact CG2-CG 4.14Å
300	Y	98.9	Very high	98.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	134.5	169.2	177.9	-102.9	0	0	0	109.4	V248 A250 Q281 L285 T302 E309 V313 V314 F364 L365 S366	V248-Y300 HydrophobicContact CB-CD2 4.1Å; V248-Y300 HydrophobicContact CG1-CD2 3.9Å; V248-Y300 HydrophobicContact CG1-CE2 4.32Å; A250-Y300 HydrophobicContact CB-CD2 4.45Å; A250-Y300 HydrophobicContact CB-CE2 3.64Å; Q281-Y300 HydrophobicContact CB-CE2 4.29Å; Q281-Y300 WeakPolarHBondContact CB-OH 3.25Å; Q281-Y300 PolarHBondContact OE1-OH 3.14Å; L285-Y300 HydrophobicContact CB-CD2 4.27Å; L285-Y300 HydrophobicContact CD1-CD2 4.2Å; L285-Y300 HydrophobicContact CD1-CG 4.38Å; L285-Y300 HydrophobicContact CD2-CD2 4.08Å; L285-Y300 HydrophobicContact CD2-CG 4.07Å; L285-Y300 HydrophobicContact CG-CD2 4.41Å; Y300-T302 HydrophobicContact CE1-CG2 3.69Å; Y300-T302 HydrophobicContact CE2-CG2 4.42Å; Y300-T302 VanDerWaalsContact OH-CG2 3.24Å; Y300-T302 WeakPolarHBondContact OH-CG2 3.37Å; Y300-E309 WeakPolarHBondContact CE1-O 3.47Å; Y300-E309 PolarHBondContact OH-O 2.84Å; Y300-V313 HydrophobicContact CE1-CB 4.48Å; Y300-V313 HydrophobicContact CE1-CG1 4.36Å; Y300-V313 HydrophobicContact CE2-CG1 4.14Å; Y300-V314 HydrophobicContact CD1-CG2 3.84Å; Y300-V314 HydrophobicContact CE1-CG2 4.34Å; Y300-F364 AromaticContact CD1-CD1 3.99Å; Y300-F364 HydrophobicContact CD1-CD1 3.99Å; Y300-F364 AromaticContact CD1-CE1 3.77Å; Y300-F364 HydrophobicContact CD1-CE1 3.77Å; Y300-F364 AromaticContact CE1-CD1 3.99Å; Y300-F364 HydrophobicContact CE1-CD1 3.99Å; Y300-F364 AromaticContact CE1-CE1 3.97Å; Y300-F364 HydrophobicContact CE1-CE1 3.97Å; Y300-L365 CarbonylContact O-C 3.57Å; Y300-L365 VanDerWaalsContact O-CA 3.27Å; Y300-L365 WeakPolarHBondContact O-CA 3.42Å; Y300-S366 PolarHBondContact N-O 3.27Å; Y300-S366 PolarHBondContact O-N 3.39Å
301	S	98.8	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	151.9	177.3	61.5	0	0	0	0	112.5	P161 V248 A250 F364	P161-S301 VanDerWaalsContact CG-CB 3.49Å; V248-S301 PolarHBondContact O-N 3.29Å; A250-S301 PolarHBondContact N-O 2.92Å; S301-F364 WeakPolarHBondContact CA-O 3.35Å; S301-F364 WeakPolarHBondContact CB-O 3.3Å
302	T	98.7	Very high	98.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	161.1	174.7	79.3	0	0	0	0	109.8	C252 Y300 T304 N310 M363 F364	C252-T302 HydrophobicContact CB-CG2 4.42Å; Y300-T302 HydrophobicContact CE1-CG2 3.69Å; Y300-T302 HydrophobicContact CE2-CG2 4.42Å; Y300-T302 VanDerWaalsContact OH-CG2 3.24Å; Y300-T302 WeakPolarHBondContact OH-CG2 3.37Å; T302-T304 HydrophobicContact CG2-CG2 4.45Å; T302-T304 VanDerWaalsContact OG1-CG2 3.22Å; T302-T304 WeakPolarHBondContact OG1-CG2 3.39Å; T302-T304 PolarHBondContact OG1-N 2.73Å; T302-N310 PolarHBondContact OG1-OD1 3.27Å; T302-M363 CarbonylContact O-C 3.59Å; T302-M363 WeakPolarHBondContact O-CA 3.41Å; T302-M363 VanDerWaalsContact O-SD 3.39Å; T302-F364 PolarHBondContact N-O 3.12Å; T302-F364 VanDerWaalsContact N-O 3.16Å; T302-F364 PolarHBondContact O-N 2.88Å
303	C	97.4	Very high	98.1	Very high	30 Å²	30	21.6 Å²	21.6	20%	0.203	13%	0.134	C	C	.	.	S	Bend	trans	-106.3	39.6	170.9	59.4	0	0	0	0	113.1	C252 D255 P362 M363	C252-C303 PolarHBondContact SG-N 3.18Å; C252-C303 VanDerWaalsContact SG-N 3.35Å; C252-C303 PolarHBondContact SG-SG 3.13Å; D255-C303 PolarHBondContact N-O 2.68Å; C303-P362 WeakPolarHBondContact CA-O 3.33Å; C303-M363 HydrophobicContact CB-CE 4.19Å
304	T	97.8	Very high	98.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	12%	0.115	C	C	.	.			trans	-125.1	152.5	177.7	176	0	0	0	0	111.9	Y67 C252 S253 D255 T302 S306 E309 N310	Y67-T304 PolarHBondContact OH-OG1 3.39Å; C252-T304 HydrophobicContact CB-CG2 3.87Å; S253-T304 WeakPolarHBondContact OG-CB 3.33Å; S253-T304 PolarHBondContact OG-OG1 3.21Å; D255-T304 PolarHBondContact OD1-OG1 2.8Å; D255-T304 VanDerWaalsContact OD2-CA 3.3Å; D255-T304 WeakPolarHBondContact OD2-CA 3.45Å; D255-T304 PolarHBondContact OD2-OG1 2.92Å; T302-T304 HydrophobicContact CG2-CG2 4.45Å; T302-T304 VanDerWaalsContact OG1-CG2 3.22Å; T302-T304 WeakPolarHBondContact OG1-CG2 3.39Å; T302-T304 PolarHBondContact OG1-N 2.73Å; T304-S306 VanDerWaalsContact C-N 3.35Å; T304-S306 VanDerWaalsContact OG1-CB 3.24Å; T304-S306 WeakPolarHBondContact OG1-CB 3.28Å; T304-S306 PolarHBondContact OG1-N 3.25Å; T304-S306 VanDerWaalsContact OG1-N 3.08Å; T304-E309 HydrophobicContact CG2-CB 3.7Å; T304-E309 HydrophobicContact CG2-CG 4.37Å; T304-N310 PolarHBondContact O-ND2 2.88Å
305	L	97.9	Very high	98.2	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.016	12%	0.117	C	C	.	.			trans	-81.3	-16.3	172	-64.3	170.4	0	0	0	112.7	Y67 L71 W75 L82 D255 S307 L351 V353 P362	Y67-L305 HydrophobicContact CD1-CB 4.03Å; Y67-L305 HydrophobicContact CD2-CB 4.4Å; Y67-L305 HydrophobicContact CD2-CD1 4.11Å; Y67-L305 HydrophobicContact CE1-CB 3.72Å; Y67-L305 HydrophobicContact CE2-CB 4.1Å; Y67-L305 HydrophobicContact CE2-CD1 4.2Å; Y67-L305 HydrophobicContact CG-CB 4.37Å; L71-L305 HydrophobicContact CD1-CB 4.33Å; L71-L305 HydrophobicContact CD1-CD1 3.96Å; L71-L305 HydrophobicContact CD1-CD2 4.17Å; L71-L305 HydrophobicContact CD1-CG 4.38Å; W75-L305 HydrophobicContact CE3-CD1 4.3Å; W75-L305 HydrophobicContact CZ3-CD1 3.84Å; L82-L305 HydrophobicContact CD1-CD1 4.1Å; D255-L305 PolarHBondContact OD2-N 3.07Å; L305-S307 PolarHBondContact O-N 3.15Å; L305-L351 HydrophobicContact CD2-CD1 4.41Å; L305-L351 HydrophobicContact CD2-CD2 4.08Å; L305-L351 HydrophobicContact CD2-CG 4.49Å; L305-V353 HydrophobicContact CD2-CG1 4.23Å; L305-V353 HydrophobicContact CD2-CG2 4.25Å; L305-P362 HydrophobicContact CD1-CG 4.36Å; L305-P362 HydrophobicContact CD2-CB 3.82Å; L305-P362 HydrophobicContact CD2-CG 4.02Å; L305-P362 HydrophobicContact CG-CB 3.94Å; L305-P362 HydrophobicContact CG-CG 3.83Å
306	S	97.7	Very high	98.2	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.007	11%	0.114	C	C	.	.			trans	-56.5	114	-173.9	-166.5	0	0	0	0	113.8	Q66 R274 T304 L308 E309 N310	Q66-S306 PolarHBondContact NE2-OG 2.87Å; R274-S306 PolarHBondContact NH2-OG 2.93Å; T304-S306 VanDerWaalsContact C-N 3.35Å; T304-S306 VanDerWaalsContact OG1-CB 3.24Å; T304-S306 WeakPolarHBondContact OG1-CB 3.28Å; T304-S306 PolarHBondContact OG1-N 3.25Å; T304-S306 VanDerWaalsContact OG1-N 3.08Å; S306-L308 PolarHBondContact O-N 2.89Å; S306-E309 WeakPolarHBondContact CB-OE1 3.32Å; S306-E309 PolarHBondContact O-N 2.91Å; S306-E309 VanDerWaalsContact O-N 3.11Å; S306-E309 PolarHBondContact OG-OE1 3.21Å; S306-N310 VanDerWaalsContact O-CB 3.27Å; S306-N310 WeakPolarHBondContact O-CB 3.47Å; S306-N310 PolarHBondContact O-N 3.37Å; S306-N310 VanDerWaalsContact O-N 3.15Å; S306-N310 PolarHBondContact O-ND2 2.71Å
307	S	97.6	Very high	98.2	Very high	55 Å²	55	18.1 Å²	18.1	39%	0.385	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-56.9	-33.9	172.7	71.2	0	0	0	0	112.6	E70 L305 E309 N310 G311 A312	E70-S307 PolarHBondContact OE1-N 3.3Å; E70-S307 PolarHBondContact OE1-OG 3.36Å; E70-S307 PolarHBondContact OE2-N 2.83Å; L305-S307 PolarHBondContact O-N 3.15Å; S307-E309 VanDerWaalsContact C-N 3.31Å; S307-E309 PolarHBondContact O-N 2.9Å; S307-N310 CarbonylContact O-C 3.43Å; S307-N310 PolarHBondContact O-N 3.43Å; S307-N310 VanDerWaalsContact O-N 3.15Å; S307-G311 PolarHBondContact O-N 3.46Å; S307-A312 WeakPolarHBondContact O-CB 3.3Å; S307-A312 PolarHBondContact O-N 2.99Å; S307-A312 VanDerWaalsContact O-N 3.16Å
308	L	97.9	Very high	98.2	Very high	99 Å²	99	19.7 Å²	19.7	52%	0.518	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-66.2	-29	178.4	-61.8	-179.2	0	0	0	113.6	P278 S306	P278-L308 WeakPolarHBondContact CB-O 3.4Å; P278-L308 HydrophobicContact CG-CB 4.34Å; S306-L308 PolarHBondContact O-N 2.89Å
309	E	98.4	Very high	98.1	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-95.4	-6.5	176.9	-63.4	172.6	-109.9	0	0	111.7	C252 S253 R274 P278 Q281 Y300 T304 S306 S307	C252-E309 WeakPolarHBondContact CA-OE2 3.46Å; C252-E309 WeakPolarHBondContact CB-OE2 3.42Å; S253-E309 WeakPolarHBondContact CB-OE1 3.47Å; S253-E309 PolarHBondContact N-OE2 2.97Å; S253-E309 PolarHBondContact OG-OE1 3.45Å; R274-E309 IonicContact CZ-OE1 3.89Å; R274-E309 IonicContact NE-OE1 3.35Å; R274-E309 PolarHBondContact NE-OE1 3.03Å; R274-E309 VanDerWaalsContact NE-OE1 3.11Å; R274-E309 IonicContact NH2-OE1 2.84Å; P278-E309 HydrophobicContact CG-CG 4.09Å; Q281-E309 PolarHBondContact NE2-OE2 3.15Å; Q281-E309 VanDerWaalsContact OE1-CB 3.23Å; Q281-E309 PolarHBondContact OE1-O 3.29Å; Y300-E309 WeakPolarHBondContact CE1-O 3.47Å; Y300-E309 PolarHBondContact OH-O 2.84Å; T304-E309 HydrophobicContact CG2-CB 3.7Å; T304-E309 HydrophobicContact CG2-CG 4.37Å; S306-E309 WeakPolarHBondContact CB-OE1 3.32Å; S306-E309 PolarHBondContact O-N 2.91Å; S306-E309 VanDerWaalsContact O-N 3.11Å; S306-E309 PolarHBondContact OG-OE1 3.21Å; S307-E309 VanDerWaalsContact C-N 3.31Å; S307-E309 PolarHBondContact O-N 2.9Å
310	N	98.6	Very high	97.9	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-103.3	-172	-69	-22	0	0	0	110.6	T302 T304 S306 S307 A312 V313 V314 F364	T302-N310 PolarHBondContact OG1-OD1 3.27Å; T304-N310 PolarHBondContact O-ND2 2.88Å; S306-N310 VanDerWaalsContact O-CB 3.27Å; S306-N310 WeakPolarHBondContact O-CB 3.47Å; S306-N310 PolarHBondContact O-N 3.37Å; S306-N310 VanDerWaalsContact O-N 3.15Å; S306-N310 PolarHBondContact O-ND2 2.71Å; S307-N310 CarbonylContact O-C 3.43Å; S307-N310 PolarHBondContact O-N 3.43Å; S307-N310 VanDerWaalsContact O-N 3.15Å; N310-A312 VanDerWaalsContact C-N 3.28Å; N310-A312 PolarHBondContact O-N 2.59Å; N310-V313 PolarHBondContact O-N 3.41Å; N310-V314 PolarHBondContact O-N 3.46Å; N310-F364 HydrophobicContact CB-CB 4.24Å; N310-F364 HydrophobicContact CB-CD1 3.7Å; N310-F364 HydrophobicContact CB-CD2 3.84Å; N310-F364 HydrophobicContact CB-CE1 3.92Å; N310-F364 HydrophobicContact CB-CE2 4.07Å; N310-F364 HydrophobicContact CB-CG 3.65Å; N310-F364 HydrophobicContact CB-CZ 4.11Å; N310-F364 VanDerWaalsContact CG-CB 3.46Å; N310-F364 VanDerWaalsContact CG-CG 3.44Å; N310-F364 VanDerWaalsContact OD1-CB 3.27Å; N310-F364 WeakPolarHBondContact OD1-CB 3.5Å; N310-F364 WeakPolarHBondContact OD1-CG 3.48Å
311	G	97.9	Very high	97.7	Very high	16 Å²	16	33 Å²	33	17%	0.165	18%	0.183	C	C	.	.	H	α-helix	trans	-59	-36.8	-176.5	0	0	0	0	0	113.1	S307 V313 V314 E315	S307-G311 PolarHBondContact O-N 3.46Å; G311-V313 VanDerWaalsContact C-N 3.34Å; G311-V313 PolarHBondContact O-N 3.36Å; G311-V314 PolarHBondContact O-N 3.21Å; G311-E315 WeakPolarHBondContact O-CB 3.23Å; G311-E315 PolarHBondContact O-N 3Å
312	A	98.3	Very high	97.4	Very high	39 Å²	39	38.1 Å²	38.1	32%	0.322	22%	0.216	S	C	.	.	H	α-helix	trans	-64.1	-37.4	-180	0	0	0	0	0	112.8	S307 N310 A316	S307-A312 WeakPolarHBondContact O-CB 3.3Å; S307-A312 PolarHBondContact O-N 2.99Å; S307-A312 VanDerWaalsContact O-N 3.16Å; N310-A312 VanDerWaalsContact C-N 3.28Å; N310-A312 PolarHBondContact O-N 2.59Å; A312-A316 VanDerWaalsContact O-CB 3.27Å; A312-A316 WeakPolarHBondContact O-CB 3.29Å; A312-A316 PolarHBondContact O-N 3.17Å
313	V	98.7	Very high	97.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-48	174.5	170.5	0	0	0	0	110.3	P278 Q281 L285 Y300 N310 G311 E315 A316 V317	P278-V313 HydrophobicContact CB-CG2 4.23Å; Q281-V313 HydrophobicContact CB-CG1 3.99Å; Q281-V313 HydrophobicContact CB-CG2 3.94Å; L285-V313 HydrophobicContact CD2-CG1 4.12Å; Y300-V313 HydrophobicContact CE1-CB 4.48Å; Y300-V313 HydrophobicContact CE1-CG1 4.36Å; Y300-V313 HydrophobicContact CE2-CG1 4.14Å; N310-V313 PolarHBondContact O-N 3.41Å; G311-V313 VanDerWaalsContact C-N 3.34Å; G311-V313 PolarHBondContact O-N 3.36Å; V313-E315 PolarHBondContact O-N 3.02Å; V313-A316 PolarHBondContact O-N 2.78Å; V313-V317 WeakPolarHBondContact O-CG2 3.16Å; V313-V317 PolarHBondContact O-N 2.83Å; V313-V317 VanDerWaalsContact O-N 3.08Å
314	V	98.6	Very high	97.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-47.7	179.6	-179.4	0	0	0	0	110.2	L285 Y300 N310 G311 A316 V317 L318 V326 L348 F364 I368	L285-V314 HydrophobicContact CD2-CG2 4.3Å; Y300-V314 HydrophobicContact CD1-CG2 3.84Å; Y300-V314 HydrophobicContact CE1-CG2 4.34Å; N310-V314 PolarHBondContact O-N 3.46Å; G311-V314 PolarHBondContact O-N 3.21Å; V314-A316 PolarHBondContact O-N 3.49Å; V314-V317 PolarHBondContact O-N 3.26Å; V314-L318 HydrophobicContact CG1-CD1 3.92Å; V314-L318 HydrophobicContact CG1-CG 4.26Å; V314-L318 VanDerWaalsContact O-CG 3.31Å; V314-L318 WeakPolarHBondContact O-CG 3.3Å; V314-L318 PolarHBondContact O-N 3.06Å; V314-V326 HydrophobicContact CG1-CG2 4.02Å; V314-L348 HydrophobicContact CB-CB 4.32Å; V314-L348 HydrophobicContact CB-CD1 4.33Å; V314-L348 HydrophobicContact CG1-CB 3.93Å; V314-L348 HydrophobicContact CG1-CD1 4.1Å; V314-F364 HydrophobicContact CG2-CE1 4.04Å; V314-F364 HydrophobicContact CG2-CZ 4.34Å; V314-I368 HydrophobicContact CG1-CD1 4.09Å
315	E	98.1	Very high	97	Very high	100 Å²	100	47.4 Å²	47.4	47%	0.467	26%	0.261	S	S	.	.	H	α-helix	trans	-58.5	-45.2	177.4	-173.5	-173.7	-177.8	0	0	112.2	G311 V313 V317 L318 K319 L348	G311-E315 WeakPolarHBondContact O-CB 3.23Å; G311-E315 PolarHBondContact O-N 3Å; V313-E315 PolarHBondContact O-N 3.02Å; E315-V317 VanDerWaalsContact C-N 3.29Å; E315-V317 PolarHBondContact O-N 3.39Å; E315-L318 PolarHBondContact O-N 3.2Å; E315-K319 WeakPolarHBondContact O-CG 3.39Å; E315-K319 PolarHBondContact O-N 2.93Å; E315-K319 IonicContact OE1-NZ 3.74Å; E315-L348 HydrophobicContact CB-CD1 3.71Å; E315-L348 HydrophobicContact CG-CD1 4.38Å
316	A	97.7	Very high	97	Very high	30 Å²	30	49.3 Å²	49.3	25%	0.248	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-39.6	179.2	0	0	0	0	0	112	T282 A312 V313 V314	T282-A316 HydrophobicContact CG2-CB 4.41Å; A312-A316 VanDerWaalsContact O-CB 3.27Å; A312-A316 WeakPolarHBondContact O-CB 3.29Å; A312-A316 PolarHBondContact O-N 3.17Å; V313-A316 PolarHBondContact O-N 2.78Å; V314-A316 PolarHBondContact O-N 3.49Å
317	V	98.1	Very high	97	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-72.8	-42.6	178.6	175	0	0	0	0	112.2	T282 L285 R286 I289 V313 V314 E315 K319 D320 F321	T282-V317 HydrophobicContact CG2-CG2 3.76Å; L285-V317 HydrophobicContact CB-CG2 4.04Å; L285-V317 HydrophobicContact CD2-CB 4.13Å; L285-V317 HydrophobicContact CD2-CG1 4.44Å; L285-V317 HydrophobicContact CD2-CG2 3.95Å; L285-V317 HydrophobicContact CG-CB 4.32Å; L285-V317 HydrophobicContact CG-CG1 4.16Å; L285-V317 HydrophobicContact CG-CG2 4.02Å; R286-V317 HydrophobicContact CG-CB 4.46Å; R286-V317 HydrophobicContact CG-CG1 4.02Å; R286-V317 HydrophobicContact CG-CG2 3.84Å; I289-V317 HydrophobicContact CD1-CG1 3.42Å; I289-V317 VanDerWaalsContact CD1-CG1 3.42Å; V313-V317 WeakPolarHBondContact O-CG2 3.16Å; V313-V317 PolarHBondContact O-N 2.83Å; V313-V317 VanDerWaalsContact O-N 3.08Å; V314-V317 PolarHBondContact O-N 3.26Å; E315-V317 VanDerWaalsContact C-N 3.29Å; E315-V317 PolarHBondContact O-N 3.39Å; V317-K319 PolarHBondContact O-N 2.97Å; V317-K319 VanDerWaalsContact O-N 3.12Å; V317-D320 PolarHBondContact O-N 3.32Å; V317-F321 HydrophobicContact CG1-CD2 3.74Å; V317-F321 HydrophobicContact CG1-CE2 4.03Å; V317-F321 WeakPolarHBondContact O-CD2 3.49Å; V317-F321 PolarHBondContact O-N 3.02Å
318	L	97.2	Very high	96.8	Very high	33 Å²	33	53.4 Å²	53.4	17%	0.173	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-24.7	-178.3	-68.3	174.4	0	0	0	113.1	V314 E315 D320 F321 A324 V326 L348 I368	V314-L318 HydrophobicContact CG1-CD1 3.92Å; V314-L318 HydrophobicContact CG1-CG 4.26Å; V314-L318 VanDerWaalsContact O-CG 3.31Å; V314-L318 WeakPolarHBondContact O-CG 3.3Å; V314-L318 PolarHBondContact O-N 3.06Å; E315-L318 PolarHBondContact O-N 3.2Å; L318-D320 PolarHBondContact O-N 3.28Å; L318-F321 CarbonylContact O-C 3.59Å; L318-F321 PolarHBondContact O-N 3.44Å; L318-A324 HydrophobicContact CD2-CB 3.9Å; L318-A324 WeakPolarHBondContact CD2-O 3.17Å; L318-V326 HydrophobicContact CD1-CG2 3.71Å; L318-L348 HydrophobicContact CD1-CD1 4.15Å; L318-L348 HydrophobicContact CD1-CD2 4.09Å; L318-I368 HydrophobicContact CD2-CG2 4.22Å
319	K	96.3	Very high	96.7	Very high	147 Å²	147	48.9 Å²	48.9	64%	0.639	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-29	172.5	-70.5	170.4	-175.2	168.9	0	113.1	E315 V317	E315-K319 WeakPolarHBondContact O-CG 3.39Å; E315-K319 PolarHBondContact O-N 2.93Å; E315-K319 IonicContact OE1-NZ 3.74Å; V317-K319 PolarHBondContact O-N 2.97Å; V317-K319 VanDerWaalsContact O-N 3.12Å
320	D	94.9	Very high	96.4	Very high	84 Å²	84	53.5 Å²	53.5	45%	0.449	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-12.7	-179.9	-55.7	-41.5	0	0	0	112.8	R286 V317 L318	R286-D320 IonicContact CZ-OD2 2.99Å; R286-D320 IonicContact NE-OD2 2.67Å; R286-D320 PolarHBondContact NE-OD2 3.04Å; R286-D320 IonicContact NH2-OD2 3.88Å; R286-D320 PolarHBondContact NH2-OD2 3.42Å; V317-D320 PolarHBondContact O-N 3.32Å; L318-D320 PolarHBondContact O-N 3.28Å
321	F	95.7	Very high	96	Very high	50 Å²	50	55.9 Å²	55.9	22%	0.219	32%	0.316	C	S	.	.			trans	-129.2	77.3	-176	-66.9	-86.9	0	0	0	110.2	R286 I289 V317 L318 D323 A324	R286-F321 HydrophobicContact CB-CE2 4.11Å; R286-F321 HydrophobicContact CG-CE2 4.02Å; I289-F321 HydrophobicContact CB-CD1 4.38Å; I289-F321 HydrophobicContact CB-CE1 4.23Å; I289-F321 HydrophobicContact CB-CE2 4.45Å; I289-F321 HydrophobicContact CB-CZ 4.26Å; I289-F321 HydrophobicContact CD1-CD2 4.21Å; I289-F321 HydrophobicContact CD1-CG 4.41Å; I289-F321 HydrophobicContact CG2-CB 4.38Å; I289-F321 HydrophobicContact CG2-CD1 3.43Å; I289-F321 VanDerWaalsContact CG2-CD1 3.43Å; I289-F321 HydrophobicContact CG2-CD2 4.27Å; I289-F321 HydrophobicContact CG2-CE1 3.64Å; I289-F321 HydrophobicContact CG2-CE2 4.45Å; I289-F321 HydrophobicContact CG2-CG 3.77Å; I289-F321 HydrophobicContact CG2-CZ 4.15Å; V317-F321 HydrophobicContact CG1-CD2 3.74Å; V317-F321 HydrophobicContact CG1-CE2 4.03Å; V317-F321 WeakPolarHBondContact O-CD2 3.49Å; V317-F321 PolarHBondContact O-N 3.02Å; L318-F321 CarbonylContact O-C 3.59Å; L318-F321 PolarHBondContact O-N 3.44Å; F321-D323 PolarHBondContact O-N 2.88Å; F321-A324 HydrophobicContact CB-CB 3.76Å; F321-A324 WeakPolarHBondContact O-CB 3.49Å; F321-A324 PolarHBondContact O-N 2.72Å
322	P	91.8	Very high	95.5	Very high	108 Å²	108	58.6 Å²	58.6	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.3	-174.8	26.1	-35.2	0	0	0	113.9	A324	P322-A324 VanDerWaalsContact C-N 3.32Å
323	D	92.5	Very high	95.1	Very high	85 Å²	85	57 Å²	57	46%	0.455	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	1.5	177.5	-58.2	-39.2	0	0	0	113	F321 S371 S372	F321-D323 PolarHBondContact O-N 2.88Å; D323-S371 WeakPolarHBondContact O-CB 3.31Å; D323-S371 PolarHBondContact O-N 3.21Å; D323-S371 PolarHBondContact O-OG 3.24Å; D323-S371 VanDerWaalsContact O-OG 3.07Å; D323-S372 WeakPolarHBondContact CB-OG 3.09Å; D323-S372 VanDerWaalsContact CG-OG 3.23Å; D323-S372 WeakPolarHBondContact OD2-CB 3.31Å; D323-S372 PolarHBondContact OD2-OG 3.1Å
324	A	96.6	Very high	94.8	Very high	11 Å²	11	57 Å²	57	9%	0.091	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.3	174.7	0	0	0	0	0	110.3	L318 F321 P322 I368 R369	L318-A324 HydrophobicContact CD2-CB 3.9Å; L318-A324 WeakPolarHBondContact CD2-O 3.17Å; F321-A324 HydrophobicContact CB-CB 3.76Å; F321-A324 WeakPolarHBondContact O-CB 3.49Å; F321-A324 PolarHBondContact O-N 2.72Å; P322-A324 VanDerWaalsContact C-N 3.32Å; A324-I368 HydrophobicContact CB-CG2 3.85Å; A324-R369 CarbonylContact C-O 3.52Å; A324-R369 VanDerWaalsContact CA-O 3.27Å; A324-R369 WeakPolarHBondContact CA-O 3.37Å
325	E	97	Very high	94.4	Very high	128 Å²	128	61.5 Å²	61.5	60%	0.598	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.8	-176.5	-65.1	-173.7	170.2	0	0	111.3	I368 R369	E325-I368 CarbonylContact O-C 3.57Å; E325-I368 WeakPolarHBondContact O-CA 3.13Å; E325-R369 PolarHBondContact N-O 3.19Å; E325-R369 PolarHBondContact O-N 3.45Å
326	V	97.8	Very high	93.9	Very high	44 Å²	44	59.2 Å²	59.2	27%	0.267	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.3	173.9	178.1	0	0	0	0	109.5	V314 L318 L348 R367 I368	V314-V326 HydrophobicContact CG1-CG2 4.02Å; L318-V326 HydrophobicContact CD1-CG2 3.71Å; V326-L348 HydrophobicContact CB-CD2 4.43Å; V326-L348 HydrophobicContact CG2-CB 4.22Å; V326-L348 HydrophobicContact CG2-CD2 3.97Å; V326-R367 CarbonylContact C-O 3.57Å; V326-R367 WeakPolarHBondContact CA-O 3.38Å; V326-I368 HydrophobicContact CG2-CG1 4.26Å
327	E	96.7	Very high	93.5	Very high	49 Å²	49	58.1 Å²	58.1	23%	0.229	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133.6	173.6	-67	-179.7	169.7	0	0	110.2	L329 R367 R369	E327-L329 PolarHBondContact O-N 2.78Å; E327-R367 HydrophobicContact CB-CG 4.46Å; E327-R367 PolarHBondContact N-O 3.17Å; E327-R367 IonicContact OE2-CZ 3.35Å; E327-R367 VanDerWaalsContact OE2-CZ 3.31Å; E327-R367 IonicContact OE2-NE 3.68Å; E327-R367 PolarHBondContact OE2-NE 3.35Å; E327-R367 IonicContact OE2-NH2 2.73Å; E327-R367 PolarHBondContact OE2-NH2 3.34Å; E327-R369 HydrophobicContact CG-CB 4.23Å; E327-R369 IonicContact OE1-CZ 2.94Å; E327-R369 VanDerWaalsContact OE1-CZ 3.26Å; E327-R369 IonicContact OE1-NE 3.09Å; E327-R369 PolarHBondContact OE1-NE 3.29Å; E327-R369 IonicContact OE1-NH2 3.41Å; E327-R369 PolarHBondContact OE1-NH2 2.88Å; E327-R369 IonicContact OE2-NH2 2.69Å
328	S	95.1	Very high	93.2	Very high	92 Å²	92	61 Å²	61	64%	0.643	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-66.7	127.4	178.1	-178.4	0	0	0	0	111.6	W330	S328-W330 PolarHBondContact OG-N 3.46Å
329	L	94.7	Very high	92.8	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.026	36%	0.361	C	S	.	.			trans	-96.7	2.7	175.1	-63.7	175.9	0	0	0	112.8	A164 E327 I333 A334 I350 L365 R367	A164-L329 HydrophobicContact CB-CD1 4.17Å; A164-L329 HydrophobicContact CB-CD2 4.06Å; E327-L329 PolarHBondContact O-N 2.78Å; L329-I333 HydrophobicContact CB-CB 4.45Å; L329-I333 HydrophobicContact CB-CD1 4.49Å; L329-I333 HydrophobicContact CD1-CD1 4.42Å; L329-I333 HydrophobicContact CD2-CD1 3.93Å; L329-I333 HydrophobicContact CD2-CG1 4.44Å; L329-I333 WeakPolarHBondContact O-CA 3.3Å; L329-I333 WeakPolarHBondContact O-CB 3.5Å; L329-I333 PolarHBondContact O-N 2.76Å; L329-A334 PolarHBondContact O-N 2.89Å; L329-A334 VanDerWaalsContact O-N 3.13Å; L329-I350 HydrophobicContact CB-CD1 3.93Å; L329-I350 HydrophobicContact CB-CG1 4.26Å; L329-I350 HydrophobicContact CB-CG2 4.28Å; L329-I350 HydrophobicContact CD1-CD1 4.34Å; L329-I350 HydrophobicContact CD1-CG1 4.22Å; L329-L365 HydrophobicContact CD1-CD1 3.73Å; L329-L365 HydrophobicContact CD1-CG 3.92Å; L329-R367 HydrophobicContact CD1-CB 4.17Å; L329-R367 HydrophobicContact CD2-CB 3.92Å; L329-R367 HydrophobicContact CG-CB 4.2Å
330	W	92.8	Very high	92.5	Very high	98 Å²	98	61.5 Å²	61.5	37%	0.371	34%	0.34	S	S	.	.	I	π-helix	trans	-66.4	-52.2	-171.4	-168.8	-99.6	0	0	0	112.6	S328 E332 A334 L335 V343 I350	S328-W330 PolarHBondContact OG-N 3.46Å; W330-E332 VanDerWaalsContact C-N 3.34Å; W330-A334 HydrophobicContact CD2-CB 3.9Å; W330-A334 HydrophobicContact CE3-CB 3.54Å; W330-A334 HydrophobicContact CG-CB 4.4Å; W330-A334 HydrophobicContact CZ3-CB 3.94Å; W330-A334 PolarHBondContact O-N 3.02Å; W330-L335 HydrophobicContact CG-CG 4.46Å; W330-L335 HydrophobicContact CZ2-CD2 4.48Å; W330-L335 PolarHBondContact O-N 3.27Å; W330-V343 HydrophobicContact CZ3-CG1 4.5Å; W330-I350 HydrophobicContact CE3-CG2 4.29Å
331	G	89.3	Confident	92.4	Very high	54 Å²	54	57.7 Å²	57.7	56%	0.557	32%	0.319	S	S	*	.	I	π-helix	trans	-71.9	-26.9	179	0	0	0	0	0	113.9	P336	G331-P336 WeakPolarHBondContact O-CD 3.49Å; G331-P336 VanDerWaalsContact O-CG 3.32Å; G331-P336 WeakPolarHBondContact O-CG 3.17Å
332	E	88	Confident	92.4	Very high	72 Å²	72	56.3 Å²	56.3	34%	0.336	32%	0.317	S	S	.	.	I	π-helix	trans	-90.4	-36.6	-174.1	-168.6	-171.5	130.2	0	0	113.2	Q166 W330 R367	Q166-E332 PolarHBondContact NE2-OE1 3.12Å; Q166-E332 PolarHBondContact NE2-OE2 3.03Å; Q166-E332 VanDerWaalsContact NE2-OE2 3.16Å; W330-E332 VanDerWaalsContact C-N 3.34Å; E332-R367 IonicContact OE1-CZ 3.91Å; E332-R367 IonicContact OE1-NH1 2.71Å; E332-R367 PolarHBondContact OE1-NH1 2.92Å; E332-R367 IonicContact OE2-CZ 3.37Å; E332-R367 VanDerWaalsContact OE2-CZ 3.26Å; E332-R367 IonicContact OE2-NH1 3.98Å; E332-R367 PolarHBondContact OE2-NH1 3.5Å; E332-R367 IonicContact OE2-NH2 3.23Å; E332-R367 PolarHBondContact OE2-NH2 3.18Å
333	I	90.6	Very high	92.6	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	29%	0.291	C	S	.	.	I	π-helix	trans	-121.4	-54.4	-173.5	-61.1	-172.5	0	0	0	111.2	L160 A164 L329 L337 I350 L365	L160-I333 HydrophobicContact CD1-CG2 4.45Å; L160-I333 HydrophobicContact CD2-CG2 4Å; A164-I333 HydrophobicContact CB-CD1 3.55Å; L329-I333 HydrophobicContact CB-CB 4.45Å; L329-I333 HydrophobicContact CB-CD1 4.49Å; L329-I333 HydrophobicContact CD1-CD1 4.42Å; L329-I333 HydrophobicContact CD2-CD1 3.93Å; L329-I333 HydrophobicContact CD2-CG1 4.44Å; L329-I333 WeakPolarHBondContact O-CA 3.3Å; L329-I333 WeakPolarHBondContact O-CB 3.5Å; L329-I333 PolarHBondContact O-N 2.76Å; I333-L337 HydrophobicContact CG2-CD1 4Å; I333-L337 VanDerWaalsContact O-CB 3.31Å; I333-L337 WeakPolarHBondContact O-CB 3.4Å; I333-L337 PolarHBondContact O-N 3.41Å; I333-L337 VanDerWaalsContact O-N 3.17Å; I333-I350 HydrophobicContact CB-CD1 4.16Å; I333-I350 HydrophobicContact CG2-CD1 3.86Å; I333-L365 HydrophobicContact CD1-CD1 4.15Å
334	A	91	Very high	92.8	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.025	28%	0.282	C	S	.	.	I	π-helix	trans	-64.9	-50.4	-169.9	0	0	0	0	0	112.5	L329 W330 S338 V343 I350	L329-A334 PolarHBondContact O-N 2.89Å; L329-A334 VanDerWaalsContact O-N 3.13Å; W330-A334 HydrophobicContact CD2-CB 3.9Å; W330-A334 HydrophobicContact CE3-CB 3.54Å; W330-A334 HydrophobicContact CG-CB 4.4Å; W330-A334 HydrophobicContact CZ3-CB 3.94Å; W330-A334 PolarHBondContact O-N 3.02Å; A334-S338 WeakPolarHBondContact O-CA 3.38Å; A334-S338 WeakPolarHBondContact O-CB 3.44Å; A334-S338 PolarHBondContact O-N 3.14Å; A334-V343 HydrophobicContact CB-CB 4.21Å; A334-V343 HydrophobicContact CB-CG1 3.78Å; A334-I350 HydrophobicContact CB-CD1 4.45Å; A334-I350 HydrophobicContact CB-CG2 4.48Å
335	L	90.3	Very high	92.7	Very high	93 Å²	93	53.9 Å²	53.9	49%	0.487	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-51.3	179.7	-72.2	176	0	0	0	112.4	W330 L337 S338	W330-L335 HydrophobicContact CG-CG 4.46Å; W330-L335 HydrophobicContact CZ2-CD2 4.48Å; W330-L335 PolarHBondContact O-N 3.27Å; L335-L337 PolarHBondContact O-N 3.22Å; L335-S338 WeakPolarHBondContact O-CB 3.47Å; L335-S338 PolarHBondContact O-N 3.17Å; L335-S338 PolarHBondContact O-OG 2.64Å
336	P	88.8	Confident	92.6	Very high	52 Å²	52	49.6 Å²	49.6	34%	0.338	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.1	-176.8	-24.6	37.7	0	0	0	114	P117 G331	P117-P336 HydrophobicContact CG-CB 3.87Å; G331-P336 WeakPolarHBondContact O-CD 3.49Å; G331-P336 VanDerWaalsContact O-CG 3.32Å; G331-P336 WeakPolarHBondContact O-CG 3.17Å
337	L	89.3	Confident	92.3	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.042	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	10.5	-179.4	-59.4	169.2	0	0	0	113.2	L116 P117 L160 L163 I333 L335 E339 Y340 F341	L116-L337 HydrophobicContact CD2-CD1 4.47Å; L116-L337 HydrophobicContact CD2-CD2 3.95Å; P117-L337 HydrophobicContact CG-CD2 4.04Å; L160-L337 HydrophobicContact CD2-CD1 3.47Å; L160-L337 VanDerWaalsContact CD2-CD1 3.47Å; L163-L337 HydrophobicContact CD1-CD1 4.5Å; I333-L337 HydrophobicContact CG2-CD1 4Å; I333-L337 VanDerWaalsContact O-CB 3.31Å; I333-L337 WeakPolarHBondContact O-CB 3.4Å; I333-L337 PolarHBondContact O-N 3.41Å; I333-L337 VanDerWaalsContact O-N 3.17Å; L335-L337 PolarHBondContact O-N 3.22Å; L337-E339 PolarHBondContact O-N 2.87Å; L337-Y340 HydrophobicContact CD2-CD2 4.2Å; L337-Y340 PolarHBondContact O-N 3.02Å; L337-F341 HydrophobicContact CB-CD2 3.68Å; L337-F341 HydrophobicContact CB-CE2 3.99Å; L337-F341 HydrophobicContact CD1-CE2 4.16Å; L337-F341 HydrophobicContact CG-CE2 4.49Å; L337-F341 PolarHBondContact O-N 3.02Å
338	S	90.6	Very high	92.3	Very high	60 Å²	60	53 Å²	53	42%	0.42	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.1	-178.8	60.8	0	0	0	0	113	A334 L335 Y340 F341 K358	A334-S338 WeakPolarHBondContact O-CA 3.38Å; A334-S338 WeakPolarHBondContact O-CB 3.44Å; A334-S338 PolarHBondContact O-N 3.14Å; L335-S338 WeakPolarHBondContact O-CB 3.47Å; L335-S338 PolarHBondContact O-N 3.17Å; L335-S338 PolarHBondContact O-OG 2.64Å; S338-Y340 VanDerWaalsContact C-N 3.27Å; S338-Y340 PolarHBondContact O-N 3.4Å; S338-F341 VanDerWaalsContact O-O 3.11Å; S338-K358 PolarHBondContact O-NZ 3.44Å
339	E	89	Confident	92.4	Very high	142 Å²	142	49.3 Å²	49.3	66%	0.664	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-37.3	172.2	-173.1	-179.1	156.5	0	0	111.6	L337 K358	L337-E339 PolarHBondContact O-N 2.87Å; E339-K358 WeakPolarHBondContact O-CE 3.35Å; E339-K358 PolarHBondContact O-NZ 3.18Å
340	Y	89.6	Confident	92.5	Very high	49 Å²	49	49.2 Å²	49.2	19%	0.192	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-34.7	-172.8	-54.2	-72.6	0	0	0	113.4	M115 I131 L337 S338 W360	M115-Y340 VanDerWaalsContact CE-CB 3.49Å; M115-Y340 HydrophobicContact CE-CD1 4.49Å; M115-Y340 HydrophobicContact CE-CG 4.04Å; M115-Y340 HydrophobicContact CG-CD1 4.24Å; M115-Y340 HydrophobicContact CG-CD2 4.16Å; M115-Y340 HydrophobicContact CG-CG 4.01Å; M115-Y340 WeakPolarHBondContact O-CD2 3.32Å; M115-Y340 WeakPolarHBondContact O-CE2 3.41Å; M115-Y340 VanDerWaalsContact O-CZ 3.28Å; I131-Y340 HydrophobicContact CD1-CD1 3.36Å; I131-Y340 HydrophobicContact CD1-CE1 3.64Å; I131-Y340 HydrophobicContact CD1-CG 4.3Å; L337-Y340 HydrophobicContact CD2-CD2 4.2Å; L337-Y340 PolarHBondContact O-N 3.02Å; S338-Y340 VanDerWaalsContact C-N 3.27Å; S338-Y340 PolarHBondContact O-N 3.4Å; Y340-W360 VanDerWaalsContact O-CD1 3.28Å
341	F	93.6	Very high	92.8	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.013	27%	0.269	C	S	.	.			trans	-115.7	139.9	-175.5	-55.8	-77.3	0	0	0	111.2	M115 A156 A157 L160 L337 S338 V343 V352 W360	M115-F341 HydrophobicContact CE-CD1 4.33Å; M115-F341 HydrophobicContact CE-CD2 4.23Å; M115-F341 HydrophobicContact CE-CE1 3.49Å; M115-F341 VanDerWaalsContact CE-CE1 3.49Å; M115-F341 HydrophobicContact CE-CE2 3.37Å; M115-F341 HydrophobicContact CE-CZ 2.97Å; M115-F341 HydrophobicContact SD-CE2 4.19Å; M115-F341 HydrophobicContact SD-CZ 3.76Å; A156-F341 HydrophobicContact CB-CE1 4.45Å; A156-F341 HydrophobicContact CB-CZ 4.39Å; A157-F341 HydrophobicContact CB-CD1 4.21Å; A157-F341 HydrophobicContact CB-CE1 3.78Å; L160-F341 HydrophobicContact CD1-CD1 4.48Å; L160-F341 HydrophobicContact CD1-CD2 4.29Å; L160-F341 HydrophobicContact CD1-CE1 4.44Å; L160-F341 HydrophobicContact CD1-CE2 4.25Å; L160-F341 HydrophobicContact CD1-CG 4.39Å; L160-F341 HydrophobicContact CD1-CZ 4.28Å; L160-F341 HydrophobicContact CD2-CD2 4.34Å; L160-F341 HydrophobicContact CD2-CE2 3.69Å; L160-F341 HydrophobicContact CD2-CZ 3.95Å; L160-F341 HydrophobicContact CG-CE2 4.33Å; L160-F341 HydrophobicContact CG-CZ 4.22Å; L337-F341 HydrophobicContact CB-CD2 3.68Å; L337-F341 HydrophobicContact CB-CE2 3.99Å; L337-F341 HydrophobicContact CD1-CE2 4.16Å; L337-F341 HydrophobicContact CG-CE2 4.49Å; L337-F341 PolarHBondContact O-N 3.02Å; S338-F341 VanDerWaalsContact O-O 3.11Å; F341-V343 HydrophobicContact CB-CG2 3.63Å; F341-V343 PolarHBondContact O-N 3.48Å; F341-V352 HydrophobicContact CB-CG1 4.13Å; F341-V352 HydrophobicContact CB-CG2 4.36Å; F341-V352 HydrophobicContact CD1-CG1 3.94Å; F341-V352 HydrophobicContact CD1-CG2 4.41Å; F341-V352 HydrophobicContact CG-CG1 4.44Å; F341-W360 HydrophobicContact CD1-CB 3.59Å; F341-W360 AromaticContact CD1-CD1 3.82Å; F341-W360 AromaticContact CD1-CG 3.89Å; F341-W360 HydrophobicContact CD1-CG 3.89Å; F341-W360 HydrophobicContact CE1-CB 3.67Å; F341-W360 AromaticContact CE1-CD1 3.86Å; F341-W360 HydrophobicContact CE1-CD2 4.46Å; F341-W360 AromaticContact CE1-CG 3.73Å; F341-W360 HydrophobicContact CE1-CG 3.73Å
342	A	95.6	Very high	93.2	Very high	22 Å²	22	42.2 Å²	42.2	18%	0.182	24%	0.243	C	C	.	.			trans	-85.8	106.3	163.7	0	0	0	0	0	107.9	V352 V353 Q355 K358	A342-V352 CarbonylContact O-C 3.53Å; A342-V352 WeakPolarHBondContact O-CA 3.5Å; A342-V353 WeakPolarHBondContact CB-O 3.33Å; A342-V353 PolarHBondContact O-N 3.13Å; A342-Q355 HydrophobicContact CB-CB 3.81Å; A342-Q355 HydrophobicContact CB-CG 3.41Å; A342-Q355 VanDerWaalsContact CB-CG 3.41Å; A342-K358 HydrophobicContact CB-CB 4.34Å; A342-K358 HydrophobicContact CB-CD 4.3Å
343	V	96.3	Very high	93.7	Very high	26 Å²	26	38.9 Å²	38.9	16%	0.158	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.2	-173.7	-169.5	0	0	0	0	109.5	W330 A334 F341 I350 L351 V352	W330-V343 HydrophobicContact CZ3-CG1 4.5Å; A334-V343 HydrophobicContact CB-CB 4.21Å; A334-V343 HydrophobicContact CB-CG1 3.78Å; F341-V343 HydrophobicContact CB-CG2 3.63Å; F341-V343 PolarHBondContact O-N 3.48Å; V343-I350 HydrophobicContact CG1-CB 3.85Å; V343-I350 HydrophobicContact CG1-CD1 4.24Å; V343-I350 HydrophobicContact CG1-CG1 4.48Å; V343-I350 HydrophobicContact CG1-CG2 4.43Å; V343-L351 WeakPolarHBondContact CA-O 3.33Å; V343-V352 HydrophobicContact CG2-CG2 4.33Å
344	I	96	Very high	93.9	Very high	51 Å²	51	38.7 Å²	38.7	26%	0.262	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	160.9	166.9	66.8	170.4	0	0	0	109.9	L71 L74 P346 I350 L351 V353	L71-I344 HydrophobicContact CD2-CD1 4.05Å; L74-I344 HydrophobicContact CD1-CD1 4.43Å; L74-I344 HydrophobicContact CD1-CG2 3.82Å; I344-P346 VanDerWaalsContact O-CD 3.23Å; I344-P346 WeakPolarHBondContact O-CD 3.32Å; I344-I350 WeakPolarHBondContact O-CA 3.5Å; I344-L351 HydrophobicContact CD1-CD2 4.15Å; I344-L351 HydrophobicContact CG1-CB 3.88Å; I344-L351 HydrophobicContact CG1-CD2 4.37Å; I344-L351 HydrophobicContact CG1-CG 4.42Å; I344-L351 PolarHBondContact N-O 3.27Å; I344-L351 PolarHBondContact O-N 2.86Å; I344-V353 HydrophobicContact CD1-CG2 3.94Å; I344-V353 HydrophobicContact CG1-CG2 3.95Å
345	S	95.1	Very high	94.1	Very high	75 Å²	75	39.9 Å²	39.9	52%	0.524	23%	0.231	S	C	.	.			trans	-113.4	80.3	-179.2	-165.2	0	0	0	0	110.5
346	P	94.3	Very high	94.2	Very high	38 Å²	38	39.7 Å²	39.7	25%	0.247	24%	0.236	C	C	.	.			trans	-63.8	167.6	167.3	32.9	-36.4	0	0	0	110.1	I344 L348 L351 F364	I344-P346 VanDerWaalsContact O-CD 3.23Å; I344-P346 WeakPolarHBondContact O-CD 3.32Å; P346-L348 PolarHBondContact O-N 3Å; P346-L351 HydrophobicContact CG-CB 4.17Å; P346-F364 HydrophobicContact CG-CD2 4.34Å; P346-F364 HydrophobicContact CG-CE2 3.96Å
347	P	92	Very high	94.2	Very high	107 Å²	107	40.4 Å²	40.4	70%	0.695	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	139.9	170.4	-25.2	34.9	0	0	0	111.4	G349	P347-G349 VanDerWaalsContact C-N 3.26Å; P347-G349 PolarHBondContact O-N 3.04Å
348	L	96.1	Very high	94.3	Very high	59 Å²	59	43.3 Å²	43.3	31%	0.309	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	20.1	171.9	-50.6	174.4	0	0	0	115.8	V314 E315 L318 V326 P346 S366	V314-L348 HydrophobicContact CB-CB 4.32Å; V314-L348 HydrophobicContact CB-CD1 4.33Å; V314-L348 HydrophobicContact CG1-CB 3.93Å; V314-L348 HydrophobicContact CG1-CD1 4.1Å; E315-L348 HydrophobicContact CB-CD1 3.71Å; E315-L348 HydrophobicContact CG-CD1 4.38Å; L318-L348 HydrophobicContact CD1-CD1 4.15Å; L318-L348 HydrophobicContact CD1-CD2 4.09Å; V326-L348 HydrophobicContact CB-CD2 4.43Å; V326-L348 HydrophobicContact CG2-CB 4.22Å; V326-L348 HydrophobicContact CG2-CD2 3.97Å; P346-L348 PolarHBondContact O-N 3Å; L348-S366 WeakPolarHBondContact O-CB 3.4Å; L348-S366 PolarHBondContact O-OG 3.04Å
349	G	97	Very high	94.5	Very high	13 Å²	13	40.8 Å²	40.8	13%	0.134	25%	0.247	C	C	.	.	S	Bend	trans	175.9	-165.6	173.1	0	0	0	0	0	114.2	P347 L365	P347-G349 VanDerWaalsContact C-N 3.26Å; P347-G349 PolarHBondContact O-N 3.04Å; G349-L365 WeakPolarHBondContact CA-O 3.19Å
350	I	98.1	Very high	94.7	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.1	170.7	60.9	170.2	0	0	0	109.9	L329 W330 I333 A334 V343 I344 F364 L365	L329-I350 HydrophobicContact CB-CD1 3.93Å; L329-I350 HydrophobicContact CB-CG1 4.26Å; L329-I350 HydrophobicContact CB-CG2 4.28Å; L329-I350 HydrophobicContact CD1-CD1 4.34Å; L329-I350 HydrophobicContact CD1-CG1 4.22Å; W330-I350 HydrophobicContact CE3-CG2 4.29Å; I333-I350 HydrophobicContact CB-CD1 4.16Å; I333-I350 HydrophobicContact CG2-CD1 3.86Å; A334-I350 HydrophobicContact CB-CD1 4.45Å; A334-I350 HydrophobicContact CB-CG2 4.48Å; V343-I350 HydrophobicContact CG1-CB 3.85Å; V343-I350 HydrophobicContact CG1-CD1 4.24Å; V343-I350 HydrophobicContact CG1-CG1 4.48Å; V343-I350 HydrophobicContact CG1-CG2 4.43Å; I344-I350 WeakPolarHBondContact O-CA 3.5Å; I350-F364 WeakPolarHBondContact O-CA 3.37Å; I350-F364 VanDerWaalsContact O-CD2 3.28Å; I350-F364 WeakPolarHBondContact O-CD2 2.85Å; I350-L365 HydrophobicContact CD1-CD1 4.21Å; I350-L365 HydrophobicContact CD1-CD2 3.84Å; I350-L365 HydrophobicContact CD1-CG 4Å; I350-L365 HydrophobicContact CG1-CD1 4.35Å; I350-L365 HydrophobicContact CG1-CD2 3.55Å; I350-L365 HydrophobicContact CG1-CG 3.62Å; I350-L365 PolarHBondContact N-O 3.35Å; I350-L365 PolarHBondContact O-N 3.16Å
351	L	98.4	Very high	94.8	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	120	178.3	178	63.8	0	0	0	110.3	L71 L305 V343 I344 P346 V353 F364	L71-L351 HydrophobicContact CD2-CD2 4.45Å; L305-L351 HydrophobicContact CD2-CD1 4.41Å; L305-L351 HydrophobicContact CD2-CD2 4.08Å; L305-L351 HydrophobicContact CD2-CG 4.49Å; V343-L351 WeakPolarHBondContact CA-O 3.33Å; I344-L351 HydrophobicContact CD1-CD2 4.15Å; I344-L351 HydrophobicContact CG1-CB 3.88Å; I344-L351 HydrophobicContact CG1-CD2 4.37Å; I344-L351 HydrophobicContact CG1-CG 4.42Å; I344-L351 PolarHBondContact N-O 3.27Å; I344-L351 PolarHBondContact O-N 2.86Å; P346-L351 HydrophobicContact CG-CB 4.17Å; L351-V353 HydrophobicContact CD2-CG2 3.91Å; L351-V353 HydrophobicContact CG-CG2 3.87Å; L351-V353 PolarHBondContact O-N 2.88Å; L351-F364 HydrophobicContact CB-CD2 4.43Å; L351-F364 HydrophobicContact CD1-CB 3.97Å
352	V	98	Very high	95	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	114.8	165.3	-177.6	0	0	0	0	108.3	A157 L160 F341 A342 V343 W360 P362 M363	A157-V352 HydrophobicContact CB-CB 4.5Å; A157-V352 HydrophobicContact CB-CG1 4.28Å; A157-V352 HydrophobicContact CB-CG2 4.39Å; L160-V352 HydrophobicContact CD1-CG2 3.4Å; L160-V352 VanDerWaalsContact CD1-CG2 3.4Å; F341-V352 HydrophobicContact CB-CG1 4.13Å; F341-V352 HydrophobicContact CB-CG2 4.36Å; F341-V352 HydrophobicContact CD1-CG1 3.94Å; F341-V352 HydrophobicContact CD1-CG2 4.41Å; F341-V352 HydrophobicContact CG-CG1 4.44Å; A342-V352 CarbonylContact O-C 3.53Å; A342-V352 WeakPolarHBondContact O-CA 3.5Å; V343-V352 HydrophobicContact CG2-CG2 4.33Å; V352-W360 HydrophobicContact CG1-CB 4.46Å; V352-P362 VanDerWaalsContact O-CA 3.3Å; V352-P362 WeakPolarHBondContact O-CA 3.43Å; V352-M363 HydrophobicContact CB-CB 4.1Å; V352-M363 HydrophobicContact CG2-CB 4.22Å; V352-M363 PolarHBondContact N-O 3.12Å; V352-M363 PolarHBondContact O-N 3.11Å; V352-M363 VanDerWaalsContact O-N 3.15Å
353	V	97.6	Very high	95.1	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	20%	0.199	C	C	.	.			trans	-102.2	125.6	175.9	-175.3	0	0	0	0	108	A78 L305 A342 I344 L351 Q355	A78-V353 HydrophobicContact CB-CG1 3.67Å; L305-V353 HydrophobicContact CD2-CG1 4.23Å; L305-V353 HydrophobicContact CD2-CG2 4.25Å; A342-V353 WeakPolarHBondContact CB-O 3.33Å; A342-V353 PolarHBondContact O-N 3.13Å; I344-V353 HydrophobicContact CD1-CG2 3.94Å; I344-V353 HydrophobicContact CG1-CG2 3.95Å; L351-V353 HydrophobicContact CD2-CG2 3.91Å; L351-V353 HydrophobicContact CG-CG2 3.87Å; L351-V353 PolarHBondContact O-N 2.88Å; V353-Q355 PolarHBondContact O-N 3.49Å
354	P	96.3	Very high	95.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.191	C	C	.	.			trans	-58.6	130.3	174.8	-19.3	29.6	0	0	0	110.4	A78 V81 L82 W360 P362	A78-P354 WeakPolarHBondContact CA-O 3.39Å; A78-P354 WeakPolarHBondContact CB-O 3.31Å; V81-P354 HydrophobicContact CB-CB 4.09Å; V81-P354 HydrophobicContact CG1-CB 3.72Å; L82-P354 HydrophobicContact CD2-CG 4.2Å; P354-W360 WeakPolarHBondContact CA-O 3.3Å; P354-W360 WeakPolarHBondContact CG-O 3.35Å; P354-P362 HydrophobicContact CG-CG 3.91Å
355	Q	95.3	Very high	95.3	Very high	29 Å²	29	27.2 Å²	27.2	14%	0.136	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-135.2	156.1	177.7	-67.8	-64.8	-36.3	0	0	110.2	L74 V81 A342 V353 G357 K358 T359	L74-Q355 PolarHBondContact O-NE2 3.38Å; V81-Q355 VanDerWaalsContact CG2-C 3.49Å; A342-Q355 HydrophobicContact CB-CB 3.81Å; A342-Q355 HydrophobicContact CB-CG 3.41Å; A342-Q355 VanDerWaalsContact CB-CG 3.41Å; V353-Q355 PolarHBondContact O-N 3.49Å; Q355-G357 PolarHBondContact O-N 3.17Å; Q355-K358 PolarHBondContact N-O 2.88Å; Q355-K358 CarbonylContact O-C 3.03Å; Q355-K358 WeakPolarHBondContact O-CA 3.32Å; Q355-K358 PolarHBondContact O-N 3.29Å; Q355-K358 VanDerWaalsContact O-O 3.14Å; Q355-T359 PolarHBondContact O-N 2.89Å
356	P	92	Very high	95.5	Very high	89 Å²	89	23.7 Å²	23.7	58%	0.578	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	130.2	172.2	-27.9	35.8	0	0	0	111.2	V81 K358	V81-P356 HydrophobicContact CG2-CG 4.31Å; P356-K358 PolarHBondContact O-N 3.31Å
357	G	88.9	Confident	95.7	Very high	67 Å²	67	22.5 Å²	22.5	69%	0.691	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	-23.4	-173.7	0	0	0	0	0	115.4	Q355	Q355-G357 PolarHBondContact O-N 3.17Å
358	K	91.8	Very high	96	Very high	68 Å²	68	17.5 Å²	17.5	30%	0.296	11%	0.112	S	C	.	.	B	Isolated β-bridge	trans	-125.3	66.9	176.9	-61	-175.7	-169	-179.4	0	110.6	S338 E339 A342 Q355 P356 W360	S338-K358 PolarHBondContact O-NZ 3.44Å; E339-K358 WeakPolarHBondContact O-CE 3.35Å; E339-K358 PolarHBondContact O-NZ 3.18Å; A342-K358 HydrophobicContact CB-CB 4.34Å; A342-K358 HydrophobicContact CB-CD 4.3Å; Q355-K358 PolarHBondContact N-O 2.88Å; Q355-K358 CarbonylContact O-C 3.03Å; Q355-K358 WeakPolarHBondContact O-CA 3.32Å; Q355-K358 PolarHBondContact O-N 3.29Å; Q355-K358 VanDerWaalsContact O-O 3.14Å; P356-K358 PolarHBondContact O-N 3.31Å; K358-W360 PolarHBondContact O-N 3.38Å
359	T	93.1	Very high	96.1	Very high	7 Å²	7	18.1 Å²	18.1	4%	0.043	11%	0.11	C	C	.	.			trans	-83.9	32.5	-168.8	64.7	0	0	0	0	113.2	V81 S87 Q89 R256 Q355	V81-T359 HydrophobicContact CG1-CG2 3.77Å; V81-T359 HydrophobicContact CG2-CG2 4.33Å; S87-T359 PolarHBondContact O-OG1 3.41Å; Q89-T359 WeakPolarHBondContact CG-OG1 3.45Å; Q89-T359 PolarHBondContact NE2-OG1 3.24Å; R256-T359 PolarHBondContact NH1-O 3.28Å; R256-T359 VanDerWaalsContact NH2-C 3.35Å; R256-T359 PolarHBondContact NH2-O 3.38Å; Q355-T359 PolarHBondContact O-N 2.89Å
360	W	93.9	Very high	95.9	Very high	3 Å²	3	17.8 Å²	17.8	1%	0.011	11%	0.106	C	C	.	.			trans	-92.3	171.5	177.2	-58.2	110.9	0	0	0	111.2	Q89 Y90 I131 A156 A157 R256 Y340 F341 V352 P354 K358	Q89-W360 HydrophobicContact CB-CE3 4.32Å; Q89-W360 HydrophobicContact CB-CH2 3.51Å; Q89-W360 HydrophobicContact CB-CZ2 3.75Å; Q89-W360 HydrophobicContact CB-CZ3 3.81Å; Q89-W360 WeakPolarHBondContact O-CZ3 3.37Å; Q89-W360 VanDerWaalsContact OE1-CZ2 3.25Å; Y90-W360 VanDerWaalsContact C-CH2 3.45Å; I131-W360 HydrophobicContact CB-CZ2 4.02Å; I131-W360 HydrophobicContact CG2-CH2 3.91Å; I131-W360 HydrophobicContact CG2-CZ2 3.61Å; A156-W360 HydrophobicContact CB-CD2 3.81Å; A156-W360 HydrophobicContact CB-CE3 3.6Å; A156-W360 HydrophobicContact CB-CH2 3.68Å; A156-W360 HydrophobicContact CB-CZ2 3.9Å; A156-W360 HydrophobicContact CB-CZ3 3.53Å; A157-W360 HydrophobicContact CB-CB 4.12Å; R256-W360 PolarHBondContact NH2-O 3.15Å; Y340-W360 VanDerWaalsContact O-CD1 3.28Å; F341-W360 HydrophobicContact CD1-CB 3.59Å; F341-W360 AromaticContact CD1-CD1 3.82Å; F341-W360 AromaticContact CD1-CG 3.89Å; F341-W360 HydrophobicContact CD1-CG 3.89Å; F341-W360 HydrophobicContact CE1-CB 3.67Å; F341-W360 AromaticContact CE1-CD1 3.86Å; F341-W360 HydrophobicContact CE1-CD2 4.46Å; F341-W360 AromaticContact CE1-CG 3.73Å; F341-W360 HydrophobicContact CE1-CG 3.73Å; V352-W360 HydrophobicContact CG1-CB 4.46Å; P354-W360 WeakPolarHBondContact CA-O 3.3Å; P354-W360 WeakPolarHBondContact CG-O 3.35Å; K358-W360 PolarHBondContact O-N 3.38Å
361	G	92.7	Very high	95.3	Very high	1 Å²	1	21 Å²	21	1%	0.01	13%	0.129	C	C	.	.			trans	76.3	-158	-177.9	0	0	0	0	0	113.5	N155 R256	N155-G361 PolarHBondContact ND2-N 3.33Å; N155-G361 PolarHBondContact ND2-O 2.85Å; N155-G361 PolarHBondContact OD1-N 2.77Å; R256-G361 WeakPolarHBondContact CD-O 3.47Å; R256-G361 PolarHBondContact NE-O 2.92Å; R256-G361 PolarHBondContact NH2-O 3.39Å
362	P	97.1	Very high	93.7	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.013	16%	0.16	C	C	.	.			cis	-51.8	144	-11.1	-22.9	34.1	0	0	0	111.6	L82 C303 L305 V352 P354	L82-P362 HydrophobicContact CD2-CG 4.32Å; C303-P362 WeakPolarHBondContact CA-O 3.33Å; L305-P362 HydrophobicContact CD1-CG 4.36Å; L305-P362 HydrophobicContact CD2-CB 3.82Å; L305-P362 HydrophobicContact CD2-CG 4.02Å; L305-P362 HydrophobicContact CG-CB 3.94Å; L305-P362 HydrophobicContact CG-CG 3.83Å; V352-P362 VanDerWaalsContact O-CA 3.3Å; V352-P362 WeakPolarHBondContact O-CA 3.43Å; P354-P362 HydrophobicContact CG-CG 3.91Å
363	M	98.1	Very high	93.5	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	107.9	173.7	-174	65.7	49.3	0	0	109.8	A157 P161 T302 C303 V352 L365	A157-M363 HydrophobicContact CB-CB 3.8Å; A157-M363 HydrophobicContact CB-CG 4.37Å; A157-M363 WeakPolarHBondContact O-CG 3.38Å; P161-M363 HydrophobicContact CG-CG 4.23Å; P161-M363 HydrophobicContact CG-SD 3.77Å; T302-M363 CarbonylContact O-C 3.59Å; T302-M363 WeakPolarHBondContact O-CA 3.41Å; T302-M363 VanDerWaalsContact O-SD 3.39Å; C303-M363 HydrophobicContact CB-CE 4.19Å; V352-M363 HydrophobicContact CB-CB 4.1Å; V352-M363 HydrophobicContact CG2-CB 4.22Å; V352-M363 PolarHBondContact N-O 3.12Å; V352-M363 PolarHBondContact O-N 3.11Å; V352-M363 VanDerWaalsContact O-N 3.15Å; M363-L365 HydrophobicContact CG-CD2 4.3Å
364	F	98.6	Very high	93.3	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	143.5	166.8	179.2	-109	0	0	0	109.3	Y300 S301 T302 N310 V314 P346 I350 L351	Y300-F364 AromaticContact CD1-CD1 3.99Å; Y300-F364 HydrophobicContact CD1-CD1 3.99Å; Y300-F364 AromaticContact CD1-CE1 3.77Å; Y300-F364 HydrophobicContact CD1-CE1 3.77Å; Y300-F364 AromaticContact CE1-CD1 3.99Å; Y300-F364 HydrophobicContact CE1-CD1 3.99Å; Y300-F364 AromaticContact CE1-CE1 3.97Å; Y300-F364 HydrophobicContact CE1-CE1 3.97Å; S301-F364 WeakPolarHBondContact CA-O 3.35Å; S301-F364 WeakPolarHBondContact CB-O 3.3Å; T302-F364 PolarHBondContact N-O 3.12Å; T302-F364 VanDerWaalsContact N-O 3.16Å; T302-F364 PolarHBondContact O-N 2.88Å; N310-F364 HydrophobicContact CB-CB 4.24Å; N310-F364 HydrophobicContact CB-CD1 3.7Å; N310-F364 HydrophobicContact CB-CD2 3.84Å; N310-F364 HydrophobicContact CB-CE1 3.92Å; N310-F364 HydrophobicContact CB-CE2 4.07Å; N310-F364 HydrophobicContact CB-CG 3.65Å; N310-F364 HydrophobicContact CB-CZ 4.11Å; N310-F364 VanDerWaalsContact CG-CB 3.46Å; N310-F364 VanDerWaalsContact CG-CG 3.44Å; N310-F364 VanDerWaalsContact OD1-CB 3.27Å; N310-F364 WeakPolarHBondContact OD1-CB 3.5Å; N310-F364 WeakPolarHBondContact OD1-CG 3.48Å; V314-F364 HydrophobicContact CG2-CE1 4.04Å; V314-F364 HydrophobicContact CG2-CZ 4.34Å; P346-F364 HydrophobicContact CG-CD2 4.34Å; P346-F364 HydrophobicContact CG-CE2 3.96Å; I350-F364 WeakPolarHBondContact O-CA 3.37Å; I350-F364 VanDerWaalsContact O-CD2 3.28Å; I350-F364 WeakPolarHBondContact O-CD2 2.85Å; L351-F364 HydrophobicContact CB-CD2 4.43Å; L351-F364 HydrophobicContact CD1-CB 3.97Å
365	L	97.6	Very high	93.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	139.6	167.5	58.8	161.1	0	0	0	112	L160 P161 A164 Y300 L329 I333 G349 I350 M363	L160-L365 HydrophobicContact CB-CD1 3.88Å; L160-L365 HydrophobicContact CB-CD2 4.17Å; L160-L365 HydrophobicContact CD1-CD2 4.47Å; P161-L365 HydrophobicContact CG-CB 4.4Å; A164-L365 HydrophobicContact CB-CD1 3.87Å; Y300-L365 CarbonylContact O-C 3.57Å; Y300-L365 VanDerWaalsContact O-CA 3.27Å; Y300-L365 WeakPolarHBondContact O-CA 3.42Å; L329-L365 HydrophobicContact CD1-CD1 3.73Å; L329-L365 HydrophobicContact CD1-CG 3.92Å; I333-L365 HydrophobicContact CD1-CD1 4.15Å; G349-L365 WeakPolarHBondContact CA-O 3.19Å; I350-L365 HydrophobicContact CD1-CD1 4.21Å; I350-L365 HydrophobicContact CD1-CD2 3.84Å; I350-L365 HydrophobicContact CD1-CG 4Å; I350-L365 HydrophobicContact CG1-CD1 4.35Å; I350-L365 HydrophobicContact CG1-CD2 3.55Å; I350-L365 HydrophobicContact CG1-CG 3.62Å; I350-L365 PolarHBondContact N-O 3.35Å; I350-L365 PolarHBondContact O-N 3.16Å; M363-L365 HydrophobicContact CG-CD2 4.3Å
366	S	98.6	Very high	93	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.6	173.4	-175.2	0	0	0	0	109	V299 Y300 L348	V299-S366 WeakPolarHBondContact CA-O 3.42Å; Y300-S366 PolarHBondContact N-O 3.27Å; Y300-S366 PolarHBondContact O-N 3.39Å; L348-S366 WeakPolarHBondContact O-CB 3.4Å; L348-S366 PolarHBondContact O-OG 3.04Å
367	R	98.4	Very high	93	Very high	13 Å²	13	25.8 Å²	25.8	5%	0.049	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.4	175.5	-176.5	168.1	75	-160.9	-1.9	109	A164 V297 V299 V326 E327 L329 E332	A164-R367 WeakPolarHBondContact O-CD 3.45Å; A164-R367 PolarHBondContact O-NH1 2.89Å; V297-R367 HydrophobicContact CG1-CG 3.57Å; V299-R367 HydrophobicContact CG2-CB 4.29Å; V299-R367 HydrophobicContact CG2-CG 4.14Å; V326-R367 CarbonylContact C-O 3.57Å; V326-R367 WeakPolarHBondContact CA-O 3.38Å; E327-R367 HydrophobicContact CB-CG 4.46Å; E327-R367 PolarHBondContact N-O 3.17Å; E327-R367 IonicContact OE2-CZ 3.35Å; E327-R367 VanDerWaalsContact OE2-CZ 3.31Å; E327-R367 IonicContact OE2-NE 3.68Å; E327-R367 PolarHBondContact OE2-NE 3.35Å; E327-R367 IonicContact OE2-NH2 2.73Å; E327-R367 PolarHBondContact OE2-NH2 3.34Å; L329-R367 HydrophobicContact CD1-CB 4.17Å; L329-R367 HydrophobicContact CD2-CB 3.92Å; L329-R367 HydrophobicContact CG-CB 4.2Å; E332-R367 IonicContact OE1-CZ 3.91Å; E332-R367 IonicContact OE1-NH1 2.71Å; E332-R367 PolarHBondContact OE1-NH1 2.92Å; E332-R367 IonicContact OE2-CZ 3.37Å; E332-R367 VanDerWaalsContact OE2-CZ 3.26Å; E332-R367 IonicContact OE2-NH1 3.98Å; E332-R367 PolarHBondContact OE2-NH1 3.5Å; E332-R367 IonicContact OE2-NH2 3.23Å; E332-R367 PolarHBondContact OE2-NH2 3.18Å
368	I	98.6	Very high	93.3	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.4	-175	-53.7	171.4	0	0	0	108.1	L285 I289 V297 V298 V314 L318 A324 E325 V326	L285-I368 HydrophobicContact CD1-CD1 4.14Å; L285-I368 HydrophobicContact CD2-CD1 4.17Å; I289-I368 HydrophobicContact CD1-CD1 4.42Å; I289-I368 HydrophobicContact CD1-CG2 4.37Å; V297-I368 WeakPolarHBondContact CA-O 3.44Å; V298-I368 HydrophobicContact CB-CB 4.48Å; V298-I368 PolarHBondContact N-O 2.97Å; V298-I368 PolarHBondContact O-N 3.43Å; V314-I368 HydrophobicContact CG1-CD1 4.09Å; L318-I368 HydrophobicContact CD2-CG2 4.22Å; A324-I368 HydrophobicContact CB-CG2 3.85Å; E325-I368 CarbonylContact O-C 3.57Å; E325-I368 WeakPolarHBondContact O-CA 3.13Å; V326-I368 HydrophobicContact CG2-CG1 4.26Å
369	R	97.8	Very high	93.4	Very high	72 Å²	72	19.9 Å²	19.9	27%	0.272	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.5	169.8	-177.1	68.3	59.5	159	4.7	108.2	G295 G296 A324 E325 E327	G295-R369 VanDerWaalsContact O-CD 3.29Å; G295-R369 WeakPolarHBondContact O-CD 3.28Å; G295-R369 PolarHBondContact O-NH1 3.18Å; G296-R369 WeakPolarHBondContact O-CD 3.42Å; A324-R369 CarbonylContact C-O 3.52Å; A324-R369 VanDerWaalsContact CA-O 3.27Å; A324-R369 WeakPolarHBondContact CA-O 3.37Å; E325-R369 PolarHBondContact N-O 3.19Å; E325-R369 PolarHBondContact O-N 3.45Å; E327-R369 HydrophobicContact CG-CB 4.23Å; E327-R369 IonicContact OE1-CZ 2.94Å; E327-R369 VanDerWaalsContact OE1-CZ 3.26Å; E327-R369 IonicContact OE1-NE 3.09Å; E327-R369 PolarHBondContact OE1-NE 3.29Å; E327-R369 IonicContact OE1-NH2 3.41Å; E327-R369 PolarHBondContact OE1-NH2 2.88Å; E327-R369 IonicContact OE2-NH2 2.69Å
370	S	93.1	Very high	93.5	Very high	6 Å²	6	20.8 Å²	20.8	4%	0.042	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.8	167.1	152.3	0	0	0	0	107.8	G295 G296 S372	G295-S370 CarbonylContact C-O 3.59Å; G295-S370 WeakPolarHBondContact CA-O 2.95Å; G295-S370 PolarHBondContact N-O 3.16Å; G296-S370 PolarHBondContact O-N 2.65Å; G296-S370 VanDerWaalsContact O-N 3.14Å; S370-S372 PolarHBondContact OG-O 2.76Å; S370-S372 VanDerWaalsContact OG-O 3.14Å
371	S	85.4	Confident	93.4	Very high	70 Å²	70	22.3 Å²	22.3	49%	0.49	13%	0.133	S	C	.	.			trans	-94	-15.9	-178.3	-54.1	0	0	0	0	113.8	D323	D323-S371 WeakPolarHBondContact O-CB 3.31Å; D323-S371 PolarHBondContact O-N 3.21Å; D323-S371 PolarHBondContact O-OG 3.24Å; D323-S371 VanDerWaalsContact O-OG 3.07Å
372	S	65.1	Low	93.5	Very high	99 Å²	99	24.3 Å²	24.3	69%	0.692	14%	0.144	S	C	*	.			trans	-133	0	-174.2	63.1	0	0	0	0	114.7	P294 D323 S370	P294-S372 WeakPolarHBondContact CG-OXT 3.33Å; D323-S372 WeakPolarHBondContact CB-OG 3.09Å; D323-S372 VanDerWaalsContact CG-OG 3.23Å; D323-S372 WeakPolarHBondContact OD2-CB 3.31Å; D323-S372 PolarHBondContact OD2-OG 3.1Å; S370-S372 PolarHBondContact OG-O 2.76Å; S370-S372 VanDerWaalsContact OG-O 3.14Å

Retrieved 372 of 372 residues in 76 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).