A0A087Y8Q5_POEFO Loading...

ornithine carbamoyltransferase

AlphaFold DB , UniProt , Accession A0A087Y8Q5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 327 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.9	Very low	34.7	Very low	243 Å²	243	158.4 Å²	158.4	100%	1.197	85%	0.854	S	S	*	*				0	140.6	0	-81.1	-178.3	168	0	0	108.2
2	P	51.2	Low	34.3	Very low	122 Å²	122	159.5 Å²	159.5	79%	0.792	86%	0.858	S	S	*	*				-116	153.5	-68.3	35.1	-23.2	0	0	0	111
3	L	29.3	Very low	34	Very low	173 Å²	173	160.4 Å²	160.4	91%	0.906	86%	0.861	S	S	*	*			trans	-135.9	117.3	159.7	-96.7	164.6	0	0	0	110.7
4	N	32.5	Very low	33.8	Very low	142 Å²	142	163.6 Å²	163.6	76%	0.759	86%	0.863	S	S	*	*			trans	-9.4	134.2	170	-74.1	-26.2	0	0	0	120.8
5	R	35.6	Very low	33.6	Very low	242 Å²	242	161.2 Å²	161.2	91%	0.913	86%	0.863	S	S	*	*			trans	-59.8	128.9	158.5	-67.9	175	174.3	-172.6	-2.8	110.7
6	F	31.8	Very low	33.4	Very low	196 Å²	196	162.3 Å²	162.3	86%	0.86	87%	0.868	S	S	*	*			trans	-120.4	117.7	148.2	-95.5	-86.3	0	0	0	108.8
7	S	34.7	Very low	33.2	Very low	105 Å²	105	164 Å²	164	73%	0.734	87%	0.866	S	S	*	*			trans	-69.8	125.7	169.8	168.7	0	0	0	0	109.1
8	V	33.9	Very low	33	Very low	140 Å²	140	159 Å²	159	85%	0.848	85%	0.846	S	S	*	*			trans	-122.5	125.2	163.9	-174.3	0	0	0	0	108.4
9	N	29.8	Very low	32.9	Very low	142 Å²	142	161.3 Å²	161.3	76%	0.759	85%	0.849	S	S	*	*			trans	-55.8	137.6	-170	-75.7	-43.4	0	0	0	114.4	C11	N9-C11 PolarHBondContact O-N 3.23Å
10	S	38.3	Very low	32.8	Very low	120 Å²	120	163.4 Å²	163.4	84%	0.839	85%	0.846	S	S	*	*			trans	-64	100.2	162.9	54	0	0	0	0	111.4
11	C	33.1	Very low	33	Very low	117 Å²	117	163.5 Å²	163.5	79%	0.791	84%	0.837	S	S	*	*			trans	-167.6	70.4	157.4	-143.9	0	0	0	0	112.3	N9	N9-C11 PolarHBondContact O-N 3.23Å
12	L	29.8	Very low	33	Very low	172 Å²	172	156.4 Å²	156.4	90%	0.901	80%	0.804	S	S	*	*			trans	-164.8	53.3	167.5	-106.6	143.6	0	0	0	111.6
13	L	30.6	Very low	32.4	Very low	171 Å²	171	153.6 Å²	153.6	90%	0.895	79%	0.786	S	S	*	*			trans	-144.3	81.2	165.4	-108.1	109.6	0	0	0	108.3
14	K	30.8	Very low	32.8	Very low	205 Å²	205	152.2 Å²	152.2	89%	0.891	78%	0.775	S	S	*	*			trans	-178.5	86	163.6	-101.5	163	-163.9	-174.2	0	109.1
15	C	31.2	Very low	33	Very low	128 Å²	128	156.1 Å²	156.1	87%	0.865	78%	0.778	S	S	*	*			trans	173.4	69.5	143.6	-102.4	0	0	0	0	110.8
16	L	29.3	Very low	33.2	Very low	179 Å²	179	146.6 Å²	146.6	94%	0.937	76%	0.756	S	S	*	*			trans	-129.7	73	155.3	-83.8	165	0	0	0	106.5	S18	L16-S18 PolarHBondContact O-N 3.17Å
17	K	29.9	Very low	33.7	Very low	191 Å²	191	141.8 Å²	141.8	83%	0.83	74%	0.735	S	S	*	*			trans	-74.9	87.4	160.9	-83.6	-175.7	177.5	178.8	0	106.6	F19	K17-F19 PolarHBondContact O-N 3.04Å; K17-F19 VanDerWaalsContact O-N 3.14Å
18	S	30.4	Very low	33.9	Very low	74 Å²	74	147.4 Å²	147.4	52%	0.517	74%	0.74	S	S	.	*			trans	-56.2	111.6	159.1	179.4	0	0	0	0	107.8	L16 Y20	L16-S18 PolarHBondContact O-N 3.17Å; S18-Y20 PolarHBondContact O-N 2.93Å; S18-Y20 WeakPolarHBondContact OG-CD2 3.01Å; S18-Y20 WeakPolarHBondContact OG-CE2 2.97Å
19	F	31.4	Very low	34.1	Very low	203 Å²	203	143.8 Å²	143.8	89%	0.89	73%	0.731	S	S	*	*			trans	-71.4	78.3	163.2	-89.5	-92.6	0	0	0	107.5	K17 Y21	K17-F19 PolarHBondContact O-N 3.04Å; K17-F19 VanDerWaalsContact O-N 3.14Å; F19-Y21 PolarHBondContact O-N 2.82Å
20	Y	30	Very low	34.5	Very low	202 Å²	202	138.9 Å²	138.9	79%	0.792	71%	0.714	S	S	*	*			trans	-66.6	102.5	162.2	-83.1	-78.7	0	0	0	107.7	S18 N22	S18-Y20 PolarHBondContact O-N 2.93Å; S18-Y20 WeakPolarHBondContact OG-CD2 3.01Å; S18-Y20 WeakPolarHBondContact OG-CE2 2.97Å; Y20-N22 PolarHBondContact O-N 3.36Å; Y20-N22 VanDerWaalsContact O-N 3.12Å
21	Y	37.3	Very low	34.8	Very low	166 Å²	166	137.6 Å²	137.6	65%	0.651	71%	0.71	S	S	*	*			trans	-56	111.8	163.4	-174.9	-99.4	0	0	0	108	F19 P23	F19-Y21 PolarHBondContact O-N 2.82Å; Y21-P23 HydrophobicContact CD1-CG 4.32Å; Y21-P23 HydrophobicContact CE1-CB 4.43Å; Y21-P23 HydrophobicContact CE1-CG 4.42Å; Y21-P23 WeakPolarHBondContact O-CD 3.39Å
22	N	31.9	Very low	35	Very low	95 Å²	95	136.3 Å²	136.3	51%	0.508	71%	0.708	S	S	.	*			trans	-99.9	104.7	177.1	-169.9	-15.3	0	0	0	108.2	Y20 Q24 R25	Y20-N22 PolarHBondContact O-N 3.36Å; Y20-N22 VanDerWaalsContact O-N 3.12Å; N22-Q24 PolarHBondContact O-N 3.46Å; N22-Q24 VanDerWaalsContact O-N 3.07Å; N22-Q24 PolarHBondContact OD1-N 3.22Å; N22-R25 PolarHBondContact O-N 3.02Å
23	P	40	Very low	35.8	Very low	63 Å²	63	131.4 Å²	131.4	41%	0.409	69%	0.688	S	S	.	*	G	3₁₀ helix	trans	-63.9	-16.6	-175.3	-12	23.9	0	0	0	113	Y21 R25	Y21-P23 HydrophobicContact CD1-CG 4.32Å; Y21-P23 HydrophobicContact CE1-CB 4.43Å; Y21-P23 HydrophobicContact CE1-CG 4.42Å; Y21-P23 WeakPolarHBondContact O-CD 3.39Å; P23-R25 PolarHBondContact O-N 3.17Å
24	Q	36.3	Very low	36.8	Very low	144 Å²	144	124.1 Å²	124.1	67%	0.673	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-75.6	-4.3	-176.4	-65.4	-146.2	-12.4	0	0	115	N22	N22-Q24 PolarHBondContact O-N 3.46Å; N22-Q24 VanDerWaalsContact O-N 3.07Å; N22-Q24 PolarHBondContact OD1-N 3.22Å
25	R	37.1	Very low	38	Very low	223 Å²	223	118.8 Å²	118.8	84%	0.842	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-93	-11.7	178.5	-77.3	-173.2	175.2	-174.1	-1.5	114.7	N22 P23	N22-R25 PolarHBondContact O-N 3.02Å; P23-R25 PolarHBondContact O-N 3.17Å
26	G	38.7	Very low	39.8	Very low	42 Å²	42	117.7 Å²	117.7	43%	0.433	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.1	-21	-175.8	0	0	0	0	0	116.4
27	F	44.1	Very low	42.6	Very low	96 Å²	96	110.6 Å²	110.6	42%	0.421	60%	0.596	S	S	.	*			trans	-125	72.1	179.9	-82.4	-83.1	0	0	0	110.8	W60 A63	F27-W60 AromaticContact CD1-CD1 3.69Å; F27-W60 HydrophobicContact CE1-CB 4.14Å; F27-W60 AromaticContact CE1-CD1 3.46Å; F27-W60 VanDerWaalsContact CE1-CD1 3.46Å; F27-W60 HydrophobicContact CE1-CG 4.2Å; F27-A63 HydrophobicContact CE2-CB 3.4Å; F27-A63 HydrophobicContact CZ-CB 3.4Å; F27-A63 VanDerWaalsContact CZ-CB 3.4Å
28	R	38.8	Very low	45.6	Very low	223 Å²	223	105.8 Å²	105.8	84%	0.842	59%	0.587	S	S	*	*			trans	-102.9	17.1	167.3	-81.4	-167.3	175.8	-148.8	-2.4	113.7
29	G	37.5	Very low	48.7	Very low	64 Å²	64	104.2 Å²	104.2	66%	0.66	57%	0.572	S	S	*	*	S	Bend	trans	-103.1	90.4	171.9	0	0	0	0	0	112.6
30	G	38.1	Very low	51.9	Low	39 Å²	39	104 Å²	104	40%	0.402	57%	0.571	S	S	.	*			trans	58.9	82.5	148.8	0	0	0	0	0	119.2	A32 S33	G30-A32 PolarHBondContact O-N 3.42Å; G30-A32 VanDerWaalsContact O-N 3.13Å; G30-S33 PolarHBondContact O-N 3.14Å
31	A	44.6	Very low	55	Low	93 Å²	93	97.2 Å²	97.2	77%	0.769	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-21.9	161.7	0	0	0	0	0	113.1
32	A	37.1	Very low	57.9	Low	89 Å²	89	93.3 Å²	93.3	74%	0.736	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-17.2	-174.8	0	0	0	0	0	115.5	G30 S35	G30-A32 PolarHBondContact O-N 3.42Å; G30-A32 VanDerWaalsContact O-N 3.13Å; A32-S35 PolarHBondContact O-OG 2.83Å
33	S	46.8	Very low	61.1	Low	70 Å²	70	89.8 Å²	89.8	49%	0.49	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-21.3	180	79.3	0	0	0	0	113.8	G30 S35	G30-S33 PolarHBondContact O-N 3.14Å; S33-S35 VanDerWaalsContact C-N 3.32Å
34	L	52.6	Low	63.9	Low	17 Å²	17	87.4 Å²	87.4	9%	0.089	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-2	179.1	-70	171.1	0	0	0	113.3	K56 K57 W60	L34-K56 HydrophobicContact CD2-CB 4.3Å; L34-K57 HydrophobicContact CB-CD 4.05Å; L34-K57 HydrophobicContact CD2-CB 4.1Å; L34-K57 HydrophobicContact CD2-CD 4.25Å; L34-K57 WeakPolarHBondContact O-CD 3.18Å; L34-K57 WeakPolarHBondContact O-CE 3.41Å; L34-K57 PolarHBondContact O-NZ 2.94Å; L34-W60 HydrophobicContact CD1-CB 3.9Å; L34-W60 HydrophobicContact CD1-CD2 4.01Å; L34-W60 HydrophobicContact CD1-CG 3.72Å
35	S	55.8	Low	66.9	Low	94 Å²	94	81.2 Å²	81.2	66%	0.657	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-16.9	-176.3	59.1	0	0	0	0	114.3	A32 S33	A32-S35 PolarHBondContact O-OG 2.83Å; S33-S35 VanDerWaalsContact C-N 3.32Å
36	S	68.1	Low	69.8	Low	104 Å²	104	71 Å²	71	73%	0.727	45%	0.448	S	S	*	.	S	Bend	trans	-91	-12.8	179.9	56.4	0	0	0	0	114.4	S38	S36-S38 PolarHBondContact O-N 2.82Å
37	V	88	Confident	72.6	Confident	31 Å²	31	69 Å²	69	19%	0.188	43%	0.428	C	S	.	.			trans	-86.4	111.9	-176.6	179.8	0	0	0	0	110.5	L39 D53 E54 K57	V37-L39 HydrophobicContact CG1-CG 4.44Å; V37-D53 HydrophobicContact CG2-CB 4.11Å; V37-E54 HydrophobicContact CG1-CB 4.19Å; V37-E54 HydrophobicContact CG1-CG 3.32Å; V37-K57 HydrophobicContact CG1-CB 4.37Å
38	S	93	Very high	75.2	Confident	89 Å²	89	68.9 Å²	68.9	62%	0.622	43%	0.427	S	S	*	.			trans	-106.6	121.7	174.3	178.6	0	0	0	0	111	S36	S36-S38 PolarHBondContact O-N 2.82Å
39	L	96.5	Very high	78	Confident	41 Å²	41	62.5 Å²	62.5	22%	0.215	41%	0.409	C	S	.	.			trans	-104.7	4.9	174.8	-65	178.2	0	0	0	112.9	V37 G41 R42 F50 E54 L58	V37-L39 HydrophobicContact CG1-CG 4.44Å; L39-G41 PolarHBondContact O-N 3.15Å; L39-R42 WeakPolarHBondContact O-CB 3.44Å; L39-R42 PolarHBondContact O-N 3.18Å; L39-R42 VanDerWaalsContact O-N 3.12Å; L39-F50 HydrophobicContact CD1-CE1 4.41Å; L39-F50 HydrophobicContact CD2-CD1 4.18Å; L39-F50 HydrophobicContact CD2-CE1 3.95Å; L39-E54 HydrophobicContact CD2-CB 4.05Å; L39-E54 HydrophobicContact CD2-CG 3.72Å; L39-E54 WeakPolarHBondContact CD2-OE1 3.45Å; L39-L58 HydrophobicContact CD1-CD1 4.34Å; L39-L58 HydrophobicContact CD1-CD2 3.63Å; L39-L58 HydrophobicContact CD1-CG 3.77Å
40	K	96.7	Very high	80.9	Confident	198 Å²	198	59.9 Å²	59.9	86%	0.861	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	127.6	-176.9	-174.8	179.2	179.1	-177.8	0	110.2	R42	K40-R42 VanDerWaalsContact C-N 3.27Å; K40-R42 PolarHBondContact O-N 3.14Å
41	G	96.8	Very high	83.7	Confident	60 Å²	60	60.7 Å²	60.7	62%	0.619	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-2.8	179.3	0	0	0	0	0	114.7	L39	L39-G41 PolarHBondContact O-N 3.15Å
42	R	97.8	Very high	86.2	Confident	84 Å²	84	57.3 Å²	57.3	32%	0.317	35%	0.35	S	S	.	.			trans	-82.4	137.5	177.3	-65.7	-163.8	64.3	-168	-5.7	111.6	L39 K40 D49 E54	L39-R42 WeakPolarHBondContact O-CB 3.44Å; L39-R42 PolarHBondContact O-N 3.18Å; L39-R42 VanDerWaalsContact O-N 3.12Å; K40-R42 VanDerWaalsContact C-N 3.27Å; K40-R42 PolarHBondContact O-N 3.14Å; R42-D49 PolarHBondContact NH1-O 2.99Å; R42-D49 PolarHBondContact NH2-O 3.47Å; R42-E54 IonicContact CZ-OE1 3.62Å; R42-E54 IonicContact NH1-OE1 3.47Å; R42-E54 PolarHBondContact NH1-OE1 3.24Å; R42-E54 IonicContact NH1-OE2 3.6Å; R42-E54 PolarHBondContact NH1-OE2 3.38Å
43	S	98.6	Very high	89.1	Confident	21 Å²	21	56.7 Å²	56.7	15%	0.147	33%	0.334	C	S	.	.			trans	-77.1	156.9	165.3	-63.9	0	0	0	0	111.7	F50 D154 I161	S43-F50 WeakPolarHBondContact O-CZ 3.1Å; S43-D154 WeakPolarHBondContact CB-OD1 3.26Å; S43-D154 PolarHBondContact OG-OD1 3.29Å; S43-I161 CarbonylContact C-O 3.57Å; S43-I161 VanDerWaalsContact CA-O 3.29Å; S43-I161 WeakPolarHBondContact CA-O 3.35Å; S43-I161 WeakPolarHBondContact CB-O 3.4Å; S43-I161 PolarHBondContact OG-N 3.12Å
44	C	98.6	Very high	91.5	Very high	13 Å²	13	54.8 Å²	54.8	9%	0.088	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-126.3	77.6	176.7	-170.1	0	0	0	0	109.6	F50 I161 I162 N163	C44-F50 HydrophobicContact CB-CE2 4.14Å; C44-F50 HydrophobicContact CB-CZ 3.82Å; C44-I161 PolarHBondContact N-O 3.31Å; C44-I162 HydrophobicContact CB-CD1 3.84Å; C44-N163 WeakPolarHBondContact O-CB 3.25Å; C44-N163 PolarHBondContact O-N 3.07Å
45	L	98.8	Very high	93.7	Very high	15 Å²	15	54 Å²	54	8%	0.079	31%	0.313	C	S	.	.	S	Bend	trans	-82.1	-39.2	177	-53.7	-164	0	0	0	111.6	L150 E151 D154 I161 N163	L45-L150 HydrophobicContact CD1-CB 4.34Å; L45-L150 HydrophobicContact CD2-CB 4.09Å; L45-E151 HydrophobicContact CD1-CG 4.27Å; L45-D154 HydrophobicContact CD1-CB 3.86Å; L45-D154 HydrophobicContact CD2-CB 4.43Å; L45-I161 HydrophobicContact CD2-CB 4Å; L45-I161 HydrophobicContact CD2-CG2 3.79Å; L45-N163 VanDerWaalsContact O-CB 3.3Å; L45-N163 WeakPolarHBondContact O-CB 3.41Å; L45-N163 PolarHBondContact O-ND2 2.85Å
46	T	98.7	Very high	95.7	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.043	30%	0.301	C	S	.	.			trans	-151.4	152.7	176.3	175.7	0	0	0	0	110.4	K48 D49 F50 Y169	T46-K48 HydrophobicContact CG2-CB 3.75Å; T46-K48 PolarHBondContact O-N 3.04Å; T46-K48 PolarHBondContact OG1-N 2.8Å; T46-D49 VanDerWaalsContact CG2-OD2 3.29Å; T46-D49 WeakPolarHBondContact CG2-OD2 3.46Å; T46-F50 WeakPolarHBondContact O-CD2 3.35Å; T46-Y169 HydrophobicContact CG2-CD2 4.45Å; T46-Y169 HydrophobicContact CG2-CE2 4.32Å
47	L	98.4	Very high	97	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-75.4	-3.8	174.2	-68.5	174.5	0	0	0	112.8	D49 F50 I55 P171 I174 L175 T209 K212	L47-D49 PolarHBondContact O-N 3.14Å; L47-F50 HydrophobicContact CD2-CD2 4.28Å; L47-F50 HydrophobicContact CD2-CG 4.32Å; L47-F50 PolarHBondContact O-N 2.86Å; L47-I55 HydrophobicContact CD2-CG1 4.37Å; L47-P171 HydrophobicContact CD1-CB 4.26Å; L47-P171 HydrophobicContact CD2-CB 4.37Å; L47-P171 HydrophobicContact CG-CB 3.72Å; L47-I174 HydrophobicContact CD1-CB 4.17Å; L47-I174 HydrophobicContact CD1-CG2 4.14Å; L47-L175 HydrophobicContact CD1-CD2 4.17Å; L47-L175 HydrophobicContact CD1-CG 4.27Å; L47-L175 HydrophobicContact CD2-CD2 4.15Å; L47-L175 HydrophobicContact CD2-CG 4.45Å; L47-T209 WeakPolarHBondContact CB-OG1 3.45Å; L47-T209 HydrophobicContact CD1-CG2 3.94Å; L47-T209 WeakPolarHBondContact CD1-OG1 3.35Å; L47-K212 PolarHBondContact O-NZ 3.4Å
48	K	97.5	Very high	97.5	Very high	92 Å²	92	51.4 Å²	51.4	40%	0.4	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-54.8	-40.4	169.7	-176.8	-176.3	168.7	-174.5	0	111.5	T46 F50 M208 K212 E234	T46-K48 HydrophobicContact CG2-CB 3.75Å; T46-K48 PolarHBondContact O-N 3.04Å; T46-K48 PolarHBondContact OG1-N 2.8Å; K48-F50 VanDerWaalsContact C-N 3.27Å; K48-F50 PolarHBondContact O-N 3.43Å; K48-M208 HydrophobicContact CB-CB 4.47Å; K48-M208 HydrophobicContact CB-CG 4.11Å; K48-M208 HydrophobicContact CB-SD 3.76Å; K48-M208 HydrophobicContact CD-SD 4.2Å; K48-M208 HydrophobicContact CG-SD 3.89Å; K48-K212 PolarHBondContact O-NZ 2.87Å; K48-E234 HydrophobicContact CD-CG 4.45Å; K48-E234 HydrophobicContact CG-CG 4.42Å
49	D	97.6	Very high	97.8	Very high	90 Å²	90	47.2 Å²	47.2	48%	0.481	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-87.1	6	-173.1	-51	-43.6	0	0	0	113.8	R42 T46 L47	R42-D49 PolarHBondContact NH1-O 2.99Å; R42-D49 PolarHBondContact NH2-O 3.47Å; T46-D49 VanDerWaalsContact CG2-OD2 3.29Å; T46-D49 WeakPolarHBondContact CG2-OD2 3.46Å; L47-D49 PolarHBondContact O-N 3.14Å
50	F	98.4	Very high	97.8	Very high	9 Å²	9	49.2 Å²	49.2	4%	0.039	25%	0.252	C	S	.	.	S	Bend	trans	-108.6	132.8	179.3	-69.2	-107.2	0	0	0	110	L39 S43 C44 T46 L47 K48 E54 I55 L58 K212	L39-F50 HydrophobicContact CD1-CE1 4.41Å; L39-F50 HydrophobicContact CD2-CD1 4.18Å; L39-F50 HydrophobicContact CD2-CE1 3.95Å; S43-F50 WeakPolarHBondContact O-CZ 3.1Å; C44-F50 HydrophobicContact CB-CE2 4.14Å; C44-F50 HydrophobicContact CB-CZ 3.82Å; T46-F50 WeakPolarHBondContact O-CD2 3.35Å; L47-F50 HydrophobicContact CD2-CD2 4.28Å; L47-F50 HydrophobicContact CD2-CG 4.32Å; L47-F50 PolarHBondContact O-N 2.86Å; K48-F50 VanDerWaalsContact C-N 3.27Å; K48-F50 PolarHBondContact O-N 3.43Å; F50-E54 HydrophobicContact CB-CB 4.3Å; F50-E54 HydrophobicContact CD1-CB 4.07Å; F50-I55 HydrophobicContact CB-CD1 4.24Å; F50-I55 HydrophobicContact CB-CG1 3.77Å; F50-L58 HydrophobicContact CD1-CD1 4.16Å; F50-L58 HydrophobicContact CE1-CD1 4.22Å; F50-K212 WeakPolarHBondContact O-CD 3.42Å; F50-K212 WeakPolarHBondContact O-CE 3.43Å; F50-K212 PolarHBondContact O-NZ 3.15Å
51	S	97.9	Very high	97.8	Very high	56 Å²	56	42.4 Å²	42.4	39%	0.392	23%	0.227	S	C	.	.			trans	-70.8	165.8	172	64.7	0	0	0	0	111.7	D53 E54 I55	S51-D53 PolarHBondContact O-N 2.97Å; S51-E54 WeakPolarHBondContact CB-OE2 3.44Å; S51-E54 PolarHBondContact N-OE2 2.87Å; S51-E54 PolarHBondContact O-N 2.9Å; S51-E54 WeakPolarHBondContact OG-CB 3.36Å; S51-E54 VanDerWaalsContact OG-CG 3.23Å; S51-E54 WeakPolarHBondContact OG-CG 3.42Å; S51-E54 PolarHBondContact OG-N 2.83Å; S51-E54 PolarHBondContact OG-OE2 2.91Å; S51-I55 WeakPolarHBondContact O-CG1 3.14Å; S51-I55 PolarHBondContact O-N 3.23Å
52	S	97.3	Very high	97.9	Very high	21 Å²	21	41.8 Å²	41.8	15%	0.147	21%	0.213	C	C	.	.	H	α-helix	trans	-53.9	-41.1	173.9	-65.2	0	0	0	0	112.9	K56 K212 H242	S52-K56 WeakPolarHBondContact O-CB 3.43Å; S52-K56 WeakPolarHBondContact O-CD 3.25Å; S52-K56 WeakPolarHBondContact O-CG 3.49Å; S52-K56 PolarHBondContact O-N 3.42Å; S52-K212 VanDerWaalsContact CB-O 3.27Å; S52-K212 WeakPolarHBondContact CB-O 3.46Å; S52-K212 PolarHBondContact OG-O 2.83Å; S52-H242 PolarHBondContact OG-CE1 3.47Å; S52-H242 VanDerWaalsContact OG-CE1 3.22Å
53	D	96.9	Very high	97.9	Very high	76 Å²	76	38.3 Å²	38.3	41%	0.406	20%	0.203	S	C	.	.	H	α-helix	trans	-75.3	-32.5	-176.1	-68	-19.6	0	0	0	111.9	V37 S51 K56 K57	V37-D53 HydrophobicContact CG2-CB 4.11Å; S51-D53 PolarHBondContact O-N 2.97Å; D53-K56 PolarHBondContact O-N 3.49Å; D53-K56 IonicContact OD1-NZ 3.45Å; D53-K57 WeakPolarHBondContact O-CB 3.2Å; D53-K57 PolarHBondContact O-N 2.9Å
54	E	98	Very high	97.9	Very high	30 Å²	30	40 Å²	40	14%	0.14	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-43.6	171.5	-73.3	170.2	138.7	0	0	112.3	V37 L39 R42 F50 S51 K57 L58	V37-E54 HydrophobicContact CG1-CB 4.19Å; V37-E54 HydrophobicContact CG1-CG 3.32Å; L39-E54 HydrophobicContact CD2-CB 4.05Å; L39-E54 HydrophobicContact CD2-CG 3.72Å; L39-E54 WeakPolarHBondContact CD2-OE1 3.45Å; R42-E54 IonicContact CZ-OE1 3.62Å; R42-E54 IonicContact NH1-OE1 3.47Å; R42-E54 PolarHBondContact NH1-OE1 3.24Å; R42-E54 IonicContact NH1-OE2 3.6Å; R42-E54 PolarHBondContact NH1-OE2 3.38Å; F50-E54 HydrophobicContact CB-CB 4.3Å; F50-E54 HydrophobicContact CD1-CB 4.07Å; S51-E54 WeakPolarHBondContact CB-OE2 3.44Å; S51-E54 PolarHBondContact N-OE2 2.87Å; S51-E54 PolarHBondContact O-N 2.9Å; S51-E54 WeakPolarHBondContact OG-CB 3.36Å; S51-E54 VanDerWaalsContact OG-CG 3.23Å; S51-E54 WeakPolarHBondContact OG-CG 3.42Å; S51-E54 PolarHBondContact OG-N 2.83Å; S51-E54 PolarHBondContact OG-OE2 2.91Å; E54-K57 WeakPolarHBondContact O-CB 3.26Å; E54-K57 PolarHBondContact O-N 3.49Å; E54-L58 WeakPolarHBondContact O-CG 3.34Å; E54-L58 PolarHBondContact O-N 3.1Å
55	I	98.4	Very high	97.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-44.5	175.9	-61.1	166	0	0	0	110.1	L47 F50 S51 K57 L58 L59 L175 T209 K212 L213	L47-I55 HydrophobicContact CD2-CG1 4.37Å; F50-I55 HydrophobicContact CB-CD1 4.24Å; F50-I55 HydrophobicContact CB-CG1 3.77Å; S51-I55 WeakPolarHBondContact O-CG1 3.14Å; S51-I55 PolarHBondContact O-N 3.23Å; I55-K57 VanDerWaalsContact C-N 3.27Å; I55-K57 PolarHBondContact O-N 2.92Å; I55-L58 WeakPolarHBondContact O-CB 3.49Å; I55-L58 PolarHBondContact O-N 3.42Å; I55-L59 HydrophobicContact CG2-CD1 4.49Å; I55-L59 WeakPolarHBondContact O-CG 3.42Å; I55-L59 PolarHBondContact O-N 3.44Å; I55-L175 HydrophobicContact CG2-CD2 4.17Å; I55-T209 HydrophobicContact CD1-CG2 3.97Å; I55-T209 HydrophobicContact CG2-CG2 4.16Å; I55-K212 HydrophobicContact CD1-CB 4.18Å; I55-K212 HydrophobicContact CD1-CD 3.68Å; I55-L213 HydrophobicContact CB-CD2 4.33Å; I55-L213 HydrophobicContact CG2-CD1 4.06Å; I55-L213 HydrophobicContact CG2-CD2 3.89Å; I55-L213 HydrophobicContact CG2-CG 4.29Å
56	K	97.4	Very high	97.8	Very high	91 Å²	91	43 Å²	43	40%	0.396	22%	0.223	S	C	.	.	H	α-helix	trans	-61	-36.2	174.7	-72.8	167.9	-172.7	170.4	0	112.2	L34 S52 D53 L59 W60 L213	L34-K56 HydrophobicContact CD2-CB 4.3Å; S52-K56 WeakPolarHBondContact O-CB 3.43Å; S52-K56 WeakPolarHBondContact O-CD 3.25Å; S52-K56 WeakPolarHBondContact O-CG 3.49Å; S52-K56 PolarHBondContact O-N 3.42Å; D53-K56 PolarHBondContact O-N 3.49Å; D53-K56 IonicContact OD1-NZ 3.45Å; K56-L59 PolarHBondContact O-N 3Å; K56-W60 VanDerWaalsContact O-CB 3.3Å; K56-W60 WeakPolarHBondContact O-CB 3.06Å; K56-W60 PolarHBondContact O-N 2.81Å; K56-L213 HydrophobicContact CG-CD2 4.04Å
57	K	96.7	Very high	97.8	Very high	38 Å²	38	47 Å²	47	17%	0.165	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-45.1	174.4	-177	68.7	177.2	-170	0	111.2	L34 V37 D53 E54 I55 W60 V61	L34-K57 HydrophobicContact CB-CD 4.05Å; L34-K57 HydrophobicContact CD2-CB 4.1Å; L34-K57 HydrophobicContact CD2-CD 4.25Å; L34-K57 WeakPolarHBondContact O-CD 3.18Å; L34-K57 WeakPolarHBondContact O-CE 3.41Å; L34-K57 PolarHBondContact O-NZ 2.94Å; V37-K57 HydrophobicContact CG1-CB 4.37Å; D53-K57 WeakPolarHBondContact O-CB 3.2Å; D53-K57 PolarHBondContact O-N 2.9Å; E54-K57 WeakPolarHBondContact O-CB 3.26Å; E54-K57 PolarHBondContact O-N 3.49Å; I55-K57 VanDerWaalsContact C-N 3.27Å; I55-K57 PolarHBondContact O-N 2.92Å; K57-W60 HydrophobicContact CD-CE3 3.79Å; K57-W60 HydrophobicContact CD-CZ3 4.16Å; K57-W60 PolarHBondContact O-N 3.25Å; K57-V61 WeakPolarHBondContact O-CG2 3.33Å; K57-V61 PolarHBondContact O-N 3.34Å
58	L	98	Very high	97.8	Very high	47 Å²	47	49.1 Å²	49.1	25%	0.246	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-50.8	175.2	-68.7	169.9	0	0	0	110.8	L39 F50 E54 I55 W60 V61 S62 L175	L39-L58 HydrophobicContact CD1-CD1 4.34Å; L39-L58 HydrophobicContact CD1-CD2 3.63Å; L39-L58 HydrophobicContact CD1-CG 3.77Å; F50-L58 HydrophobicContact CD1-CD1 4.16Å; F50-L58 HydrophobicContact CE1-CD1 4.22Å; E54-L58 WeakPolarHBondContact O-CG 3.34Å; E54-L58 PolarHBondContact O-N 3.1Å; I55-L58 WeakPolarHBondContact O-CB 3.49Å; I55-L58 PolarHBondContact O-N 3.42Å; L58-W60 VanDerWaalsContact C-N 3.32Å; L58-W60 PolarHBondContact O-N 3.41Å; L58-V61 PolarHBondContact O-N 2.91Å; L58-S62 PolarHBondContact O-N 2.93Å; L58-S62 PolarHBondContact O-OG 3.26Å; L58-L175 HydrophobicContact CB-CD2 4.27Å; L58-L175 HydrophobicContact CD1-CD1 4.04Å; L58-L175 HydrophobicContact CD1-CD2 4.16Å
59	L	98.3	Very high	97.8	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-38.6	178.4	-62.7	178.9	0	0	0	112.8	I55 K56 S62 A63 L175 F178 L179 L188 L213	I55-L59 HydrophobicContact CG2-CD1 4.49Å; I55-L59 WeakPolarHBondContact O-CG 3.42Å; I55-L59 PolarHBondContact O-N 3.44Å; K56-L59 PolarHBondContact O-N 3Å; L59-S62 PolarHBondContact O-N 2.75Å; L59-A63 PolarHBondContact O-N 3.18Å; L59-L175 HydrophobicContact CD2-CD2 4.34Å; L59-L175 VanDerWaalsContact CD2-O 3.3Å; L59-L175 WeakPolarHBondContact CD2-O 3.33Å; L59-F178 HydrophobicContact CD1-CB 4.16Å; L59-F178 HydrophobicContact CD2-CB 4.32Å; L59-L179 HydrophobicContact CD2-CB 4.09Å; L59-L188 HydrophobicContact CD1-CD1 4.05Å; L59-L213 HydrophobicContact CD1-CD1 4.2Å; L59-L213 HydrophobicContact CD1-CD2 4.49Å
60	W	97.1	Very high	97.7	Very high	82 Å²	82	47.5 Å²	47.5	31%	0.311	24%	0.24	S	C	.	.	H	α-helix	trans	-64.2	-48	175.6	173.5	70.8	0	0	0	111.9	F27 L34 K56 K57 L58 S62 A63 D64	F27-W60 AromaticContact CD1-CD1 3.69Å; F27-W60 HydrophobicContact CE1-CB 4.14Å; F27-W60 AromaticContact CE1-CD1 3.46Å; F27-W60 VanDerWaalsContact CE1-CD1 3.46Å; F27-W60 HydrophobicContact CE1-CG 4.2Å; L34-W60 HydrophobicContact CD1-CB 3.9Å; L34-W60 HydrophobicContact CD1-CD2 4.01Å; L34-W60 HydrophobicContact CD1-CG 3.72Å; K56-W60 VanDerWaalsContact O-CB 3.3Å; K56-W60 WeakPolarHBondContact O-CB 3.06Å; K56-W60 PolarHBondContact O-N 2.81Å; K57-W60 HydrophobicContact CD-CE3 3.79Å; K57-W60 HydrophobicContact CD-CZ3 4.16Å; K57-W60 PolarHBondContact O-N 3.25Å; L58-W60 VanDerWaalsContact C-N 3.32Å; L58-W60 PolarHBondContact O-N 3.41Å; W60-S62 VanDerWaalsContact C-N 3.3Å; W60-S62 PolarHBondContact O-N 3.13Å; W60-A63 PolarHBondContact O-N 3.31Å; W60-D64 WeakPolarHBondContact O-CB 3.41Å; W60-D64 PolarHBondContact O-N 3.27Å
61	V	97.5	Very high	97.5	Very high	55 Å²	55	52.3 Å²	52.3	33%	0.333	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-41.1	176	172.5	0	0	0	0	110.7	K57 L58 A63 D64 L65	K57-V61 WeakPolarHBondContact O-CG2 3.33Å; K57-V61 PolarHBondContact O-N 3.34Å; L58-V61 PolarHBondContact O-N 2.91Å; V61-A63 PolarHBondContact O-N 3.43Å; V61-D64 PolarHBondContact O-N 2.8Å; V61-L65 HydrophobicContact CG1-CD1 3.88Å; V61-L65 HydrophobicContact CG1-CG 4.2Å; V61-L65 WeakPolarHBondContact O-CB 3.29Å; V61-L65 WeakPolarHBondContact O-CG 3.39Å; V61-L65 PolarHBondContact O-N 2.69Å
62	S	98.2	Very high	97.4	Very high	47 Å²	47	51.6 Å²	51.6	33%	0.329	26%	0.264	S	S	.	.	H	α-helix	trans	-60	-45.9	176.7	-57.6	0	0	0	0	112.2	L58 L59 W60 K66	L58-S62 PolarHBondContact O-N 2.93Å; L58-S62 PolarHBondContact O-OG 3.26Å; L59-S62 PolarHBondContact O-N 2.75Å; W60-S62 VanDerWaalsContact C-N 3.3Å; W60-S62 PolarHBondContact O-N 3.13Å; S62-K66 VanDerWaalsContact O-CB 3.24Å; S62-K66 WeakPolarHBondContact O-CB 3.3Å; S62-K66 PolarHBondContact O-N 3.48Å
63	A	97.9	Very high	97.4	Very high	12 Å²	12	58.5 Å²	58.5	10%	0.099	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-39.4	177.9	0	0	0	0	0	112.6	F27 L59 W60 V61 K66 H67 L179	F27-A63 HydrophobicContact CE2-CB 3.4Å; F27-A63 HydrophobicContact CZ-CB 3.4Å; F27-A63 VanDerWaalsContact CZ-CB 3.4Å; L59-A63 PolarHBondContact O-N 3.18Å; W60-A63 PolarHBondContact O-N 3.31Å; V61-A63 PolarHBondContact O-N 3.43Å; A63-K66 PolarHBondContact O-N 2.92Å; A63-H67 WeakPolarHBondContact O-CB 3.25Å; A63-H67 PolarHBondContact O-N 2.86Å; A63-L179 HydrophobicContact CB-CD1 4.08Å
64	D	97.7	Very high	97.5	Very high	57 Å²	57	59.4 Å²	59.4	31%	0.305	29%	0.293	S	S	.	.	H	α-helix	trans	-64.2	-49.9	177.5	179.3	51.4	0	0	0	111.7	W60 V61 K66 H67 Q68	W60-D64 WeakPolarHBondContact O-CB 3.41Å; W60-D64 PolarHBondContact O-N 3.27Å; V61-D64 PolarHBondContact O-N 2.8Å; D64-K66 VanDerWaalsContact C-N 3.34Å; D64-K66 PolarHBondContact O-N 2.96Å; D64-H67 PolarHBondContact O-N 2.65Å; D64-H67 VanDerWaalsContact O-N 3.15Å; D64-Q68 WeakPolarHBondContact O-CG 3.36Å; D64-Q68 PolarHBondContact O-N 2.86Å; D64-Q68 PolarHBondContact OD1-NE2 2.84Å; D64-Q68 PolarHBondContact OD2-NE2 2.92Å
65	L	98.3	Very high	97.4	Very high	40 Å²	40	65.1 Å²	65.1	21%	0.209	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-43	175	-72.1	176.7	0	0	0	111.8	V61 H67 Q68 I69 L76 L78 L106	V61-L65 HydrophobicContact CG1-CD1 3.88Å; V61-L65 HydrophobicContact CG1-CG 4.2Å; V61-L65 WeakPolarHBondContact O-CB 3.29Å; V61-L65 WeakPolarHBondContact O-CG 3.39Å; V61-L65 PolarHBondContact O-N 2.69Å; L65-H67 VanDerWaalsContact C-N 3.31Å; L65-H67 PolarHBondContact O-N 3.02Å; L65-Q68 PolarHBondContact O-N 3.02Å; L65-I69 HydrophobicContact CB-CD1 4.46Å; L65-I69 HydrophobicContact CD2-CD1 4.34Å; L65-I69 WeakPolarHBondContact O-CB 3.38Å; L65-I69 WeakPolarHBondContact O-CG1 3.37Å; L65-I69 PolarHBondContact O-N 2.89Å; L65-L76 HydrophobicContact CD2-CD1 4.11Å; L65-L78 HydrophobicContact CD2-CD1 3.9Å; L65-L106 HydrophobicContact CD2-CD2 4.4Å
66	K	98.3	Very high	97.4	Very high	51 Å²	51	66.4 Å²	66.4	22%	0.222	32%	0.321	C	S	.	.	I	π-helix	trans	-59.5	-43.7	175.1	-173.6	177.4	-178.5	176.9	0	110.7	S62 A63 D64 K70 E183	S62-K66 VanDerWaalsContact O-CB 3.24Å; S62-K66 WeakPolarHBondContact O-CB 3.3Å; S62-K66 PolarHBondContact O-N 3.48Å; A63-K66 PolarHBondContact O-N 2.92Å; D64-K66 VanDerWaalsContact C-N 3.34Å; D64-K66 PolarHBondContact O-N 2.96Å; K66-K70 HydrophobicContact CG-CB 4.4Å; K66-K70 HydrophobicContact CG-CD 4.31Å; K66-K70 WeakPolarHBondContact O-CA 3.24Å; K66-K70 WeakPolarHBondContact O-CB 3.38Å; K66-K70 PolarHBondContact O-N 2.88Å; K66-E183 VanDerWaalsContact CD-OE1 3.3Å; K66-E183 WeakPolarHBondContact CD-OE1 3.37Å; K66-E183 WeakPolarHBondContact CE-OE1 3.37Å; K66-E183 IonicContact NZ-OE1 3.6Å; K66-E183 PolarHBondContact NZ-OE1 3.48Å; K66-E183 IonicContact NZ-OE2 2.8Å; K66-E183 PolarHBondContact NZ-OE2 3.4Å
67	H	97.4	Very high	97.4	Very high	89 Å²	89	64.5 Å²	64.5	41%	0.412	32%	0.318	S	S	.	.	I	π-helix	trans	-63.7	-54.4	177.2	179.7	-96	0	0	0	112.1	A63 D64 L65 I69 H71 G72	A63-H67 WeakPolarHBondContact O-CB 3.25Å; A63-H67 PolarHBondContact O-N 2.86Å; D64-H67 PolarHBondContact O-N 2.65Å; D64-H67 VanDerWaalsContact O-N 3.15Å; L65-H67 VanDerWaalsContact C-N 3.31Å; L65-H67 PolarHBondContact O-N 3.02Å; H67-I69 PolarHBondContact O-N 2.99Å; H67-H71 WeakPolarHBondContact O-CB 3.23Å; H67-H71 PolarHBondContact O-N 3.06Å; H67-G72 PolarHBondContact O-N 3.46Å
68	Q	98.1	Very high	97.5	Very high	48 Å²	48	68.3 Å²	68.3	22%	0.224	34%	0.339	C	S	.	.	I	π-helix	trans	-62.2	-42.4	-176.6	-67.1	-174.3	63.2	0	0	112.3	D64 L65 G72 K73 Q74 L76	D64-Q68 WeakPolarHBondContact O-CG 3.36Å; D64-Q68 PolarHBondContact O-N 2.86Å; D64-Q68 PolarHBondContact OD1-NE2 2.84Å; D64-Q68 PolarHBondContact OD2-NE2 2.92Å; L65-Q68 PolarHBondContact O-N 3.02Å; Q68-G72 CarbonylContact O-C 3.51Å; Q68-G72 WeakPolarHBondContact O-CA 3.17Å; Q68-G72 PolarHBondContact O-N 2.86Å; Q68-K73 PolarHBondContact O-N 3.47Å; Q68-K73 VanDerWaalsContact O-N 3.17Å; Q68-Q74 WeakPolarHBondContact O-CB 3.38Å; Q68-Q74 PolarHBondContact O-N 2.89Å; Q68-L76 HydrophobicContact CB-CD1 3.82Å
69	I	98	Very high	97.6	Very high	30 Å²	30	68.2 Å²	68.2	15%	0.154	34%	0.339	C	S	.	.	I	π-helix	trans	-87.7	-55.9	-174.2	-56.1	168.6	0	0	0	111.7	L65 H67 K73 L76 L105 L106	L65-I69 HydrophobicContact CB-CD1 4.46Å; L65-I69 HydrophobicContact CD2-CD1 4.34Å; L65-I69 WeakPolarHBondContact O-CB 3.38Å; L65-I69 WeakPolarHBondContact O-CG1 3.37Å; L65-I69 PolarHBondContact O-N 2.89Å; H67-I69 PolarHBondContact O-N 2.99Å; I69-K73 VanDerWaalsContact O-CA 3.26Å; I69-K73 WeakPolarHBondContact O-CA 3.31Å; I69-K73 PolarHBondContact O-N 3.34Å; I69-K73 VanDerWaalsContact O-N 3.14Å; I69-L76 HydrophobicContact CD1-CD1 4.33Å; I69-L76 HydrophobicContact CG1-CD1 3.95Å; I69-L76 HydrophobicContact CG1-CG 4.33Å; I69-L105 HydrophobicContact CD1-CD2 4.39Å; I69-L105 HydrophobicContact CG2-CD1 4.15Å; I69-L105 HydrophobicContact CG2-CD2 3.92Å; I69-L105 HydrophobicContact CG2-CG 4.25Å; I69-L106 HydrophobicContact CD1-CD2 3.96Å
70	K	95.4	Very high	97.6	Very high	118 Å²	118	75.1 Å²	75.1	51%	0.513	37%	0.371	S	S	.	.	I	π-helix	trans	-70.6	-42.5	-173.6	-170.2	177.9	179.2	175.2	0	111.8	K66 K73	K66-K70 HydrophobicContact CG-CB 4.4Å; K66-K70 HydrophobicContact CG-CD 4.31Å; K66-K70 WeakPolarHBondContact O-CA 3.24Å; K66-K70 WeakPolarHBondContact O-CB 3.38Å; K66-K70 PolarHBondContact O-N 2.88Å; K70-K73 WeakPolarHBondContact O-CE 3.49Å; K70-K73 PolarHBondContact O-NZ 2.99Å
71	H	95.2	Very high	97.6	Very high	110 Å²	110	74.7 Å²	74.7	51%	0.509	39%	0.393	S	S	.	.	I	π-helix	trans	-97.1	-45.3	-176.4	-62.3	-67	0	0	0	112.5	H67 K73	H67-H71 WeakPolarHBondContact O-CB 3.23Å; H67-H71 PolarHBondContact O-N 3.06Å; H71-K73 VanDerWaalsContact C-N 3.29Å; H71-K73 PolarHBondContact O-N 3.42Å
72	G	95.9	Very high	97.7	Very high	40 Å²	40	76.4 Å²	76.4	41%	0.412	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-12.8	178.9	0	0	0	0	0	114.5	H67 Q68 Q74	H67-G72 PolarHBondContact O-N 3.46Å; Q68-G72 CarbonylContact O-C 3.51Å; Q68-G72 WeakPolarHBondContact O-CA 3.17Å; Q68-G72 PolarHBondContact O-N 2.86Å; G72-Q74 PolarHBondContact O-N 2.82Å
73	K	97.1	Very high	97.7	Very high	166 Å²	166	75.2 Å²	75.2	72%	0.722	39%	0.388	S	S	*	.			trans	56	27.1	-178.2	-53.9	-55.3	-173.1	-169.3	0	113.5	Q68 I69 K70 H71	Q68-K73 PolarHBondContact O-N 3.47Å; Q68-K73 VanDerWaalsContact O-N 3.17Å; I69-K73 VanDerWaalsContact O-CA 3.26Å; I69-K73 WeakPolarHBondContact O-CA 3.31Å; I69-K73 PolarHBondContact O-N 3.34Å; I69-K73 VanDerWaalsContact O-N 3.14Å; K70-K73 WeakPolarHBondContact O-CE 3.49Å; K70-K73 PolarHBondContact O-NZ 2.99Å; H71-K73 VanDerWaalsContact C-N 3.29Å; H71-K73 PolarHBondContact O-N 3.42Å
74	Q	97.6	Very high	97.8	Very high	95 Å²	95	75 Å²	75	44%	0.444	39%	0.386	S	S	.	.			trans	-80	144.2	177.9	-60.2	-177.4	5.1	0	0	110.7	Q68 G72 L76	Q68-Q74 WeakPolarHBondContact O-CB 3.38Å; Q68-Q74 PolarHBondContact O-N 2.89Å; G72-Q74 PolarHBondContact O-N 2.82Å; Q74-L76 HydrophobicContact CB-CD2 4.31Å; Q74-L76 HydrophobicContact CB-CG 4.35Å
75	Y	97.6	Very high	97.8	Very high	150 Å²	150	72.3 Å²	72.3	59%	0.588	37%	0.371	S	S	*	.			trans	-96.7	121.8	166.6	177.6	-119.3	0	0	0	109.2	P77	Y75-P77 HydrophobicContact CD1-CG 4.4Å; Y75-P77 HydrophobicContact CE1-CB 3.8Å; Y75-P77 HydrophobicContact CE1-CG 3.99Å
76	L	97.9	Very high	97.8	Very high	28 Å²	28	70.4 Å²	70.4	15%	0.147	36%	0.361	C	S	.	.			trans	-122.9	89.4	-174.2	-61.5	179.4	0	0	0	109.7	L65 Q68 I69 Q74 L78 L106	L65-L76 HydrophobicContact CD2-CD1 4.11Å; Q68-L76 HydrophobicContact CB-CD1 3.82Å; I69-L76 HydrophobicContact CD1-CD1 4.33Å; I69-L76 HydrophobicContact CG1-CD1 3.95Å; I69-L76 HydrophobicContact CG1-CG 4.33Å; Q74-L76 HydrophobicContact CB-CD2 4.31Å; Q74-L76 HydrophobicContact CB-CG 4.35Å; L76-L78 HydrophobicContact CB-CD1 4.39Å; L76-L78 HydrophobicContact CB-CG 4.07Å; L76-L78 PolarHBondContact O-N 3.44Å; L76-L106 WeakPolarHBondContact O-CA 3.36Å
77	P	98.2	Very high	97.8	Very high	51 Å²	51	68 Å²	68	33%	0.331	35%	0.351	S	S	.	.			trans	-78	49.9	-176.6	33.8	-37	0	0	0	112.5	Y75 L79 Q80 L106	Y75-P77 HydrophobicContact CD1-CG 4.4Å; Y75-P77 HydrophobicContact CE1-CB 3.8Å; Y75-P77 HydrophobicContact CE1-CG 3.99Å; P77-L79 PolarHBondContact O-N 3.39Å; P77-Q80 HydrophobicContact CB-CB 4.21Å; P77-Q80 WeakPolarHBondContact O-CB 3.15Å; P77-Q80 PolarHBondContact O-N 3.03Å; P77-Q80 VanDerWaalsContact O-N 3.14Å; P77-L106 CarbonylContact C-O 3.59Å; P77-L106 VanDerWaalsContact CA-O 3.25Å; P77-L106 WeakPolarHBondContact CA-O 3.38Å
78	L	98.4	Very high	97.8	Very high	117 Å²	117	64.2 Å²	64.2	61%	0.613	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.8	-173.3	-58.6	177.9	0	0	0	113.6	L65 L76 L106	L65-L78 HydrophobicContact CD2-CD1 3.9Å; L76-L78 HydrophobicContact CB-CD1 4.39Å; L76-L78 HydrophobicContact CB-CG 4.07Å; L76-L78 PolarHBondContact O-N 3.44Å; L78-L106 HydrophobicContact CD1-CD2 4.41Å; L78-L106 PolarHBondContact N-O 3.34Å; L78-L106 VanDerWaalsContact N-O 3.15Å
79	L	98.6	Very high	97.6	Very high	45 Å²	45	64.4 Å²	64.4	24%	0.236	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	23	179.9	-58.9	-179.7	0	0	0	111.6	P77 G81 K82 F103 L106 G107 G108	P77-L79 PolarHBondContact O-N 3.39Å; L79-G81 PolarHBondContact O-N 3.37Å; L79-K82 HydrophobicContact CB-CB 4.24Å; L79-K82 HydrophobicContact CB-CG 4.4Å; L79-K82 VanDerWaalsContact O-CB 3.25Å; L79-K82 WeakPolarHBondContact O-CB 3.44Å; L79-K82 WeakPolarHBondContact O-CG 3.4Å; L79-K82 PolarHBondContact O-N 3.42Å; L79-F103 HydrophobicContact CD1-CD2 3.71Å; L79-F103 HydrophobicContact CD1-CE2 3.56Å; L79-F103 HydrophobicContact CD1-CG 4.28Å; L79-F103 HydrophobicContact CD1-CZ 4.01Å; L79-L106 CarbonylContact C-O 3.21Å; L79-L106 WeakPolarHBondContact CA-O 3.49Å; L79-L106 HydrophobicContact CB-CB 4.08Å; L79-L106 HydrophobicContact CD1-CB 3.92Å; L79-L106 HydrophobicContact CD1-CD1 3.8Å; L79-L106 HydrophobicContact CG-CB 3.94Å; L79-L106 HydrophobicContact CG-CD1 4.28Å; L79-L106 PolarHBondContact N-O 2.86Å; L79-G107 CarbonylContact O-C 3.54Å; L79-G108 VanDerWaalsContact O-CA 3.26Å; L79-G108 WeakPolarHBondContact O-CA 3.47Å; L79-G108 PolarHBondContact O-N 3.39Å
80	Q	98.7	Very high	97.2	Very high	146 Å²	146	64.6 Å²	64.6	68%	0.682	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	129.7	176.7	-170.8	173	35.1	0	0	111.5	P77 K82 G107	P77-Q80 HydrophobicContact CB-CB 4.21Å; P77-Q80 WeakPolarHBondContact O-CB 3.15Å; P77-Q80 PolarHBondContact O-N 3.03Å; P77-Q80 VanDerWaalsContact O-N 3.14Å; Q80-K82 PolarHBondContact O-N 3.02Å; Q80-G107 WeakPolarHBondContact CA-O 3.44Å
81	G	98.3	Very high	96.9	Very high	74 Å²	74	69.7 Å²	69.7	76%	0.763	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	12.4	-178.4	0	0	0	0	0	114.2	L79	L79-G81 PolarHBondContact O-N 3.37Å
82	K	98.7	Very high	96.8	Very high	91 Å²	91	65.3 Å²	65.3	40%	0.396	33%	0.332	S	S	.	.			trans	-101.7	148.4	174.5	-56.2	-65.6	175.4	-170	0	111.7	L79 Q80 F103 G108 H109 D138	L79-K82 HydrophobicContact CB-CB 4.24Å; L79-K82 HydrophobicContact CB-CG 4.4Å; L79-K82 VanDerWaalsContact O-CB 3.25Å; L79-K82 WeakPolarHBondContact O-CB 3.44Å; L79-K82 WeakPolarHBondContact O-CG 3.4Å; L79-K82 PolarHBondContact O-N 3.42Å; Q80-K82 PolarHBondContact O-N 3.02Å; K82-F103 HydrophobicContact CB-CE1 4.42Å; K82-F103 HydrophobicContact CB-CZ 4.18Å; K82-G108 CarbonylContact O-C 3.57Å; K82-G108 VanDerWaalsContact O-CA 3.29Å; K82-G108 WeakPolarHBondContact O-CA 3.34Å; K82-H109 PolarHBondContact O-N 3.28Å; K82-D138 WeakPolarHBondContact CA-OD2 3.45Å; K82-D138 HydrophobicContact CB-CB 4.45Å; K82-D138 HydrophobicContact CD-CB 4.06Å; K82-D138 WeakPolarHBondContact CD-OD1 3.23Å; K82-D138 WeakPolarHBondContact CD-OD2 3.3Å; K82-D138 IonicContact NZ-OD1 2.75Å; K82-D138 PolarHBondContact NZ-OD1 3.17Å
83	A	98.7	Very high	96.8	Very high	21 Å²	21	68.2 Å²	68.2	17%	0.174	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.6	175.3	0	0	0	0	0	111.9	H109 D138 I139	A83-H109 VanDerWaalsContact CA-O 3.31Å; A83-H109 WeakPolarHBondContact CA-O 3.44Å; A83-D138 PolarHBondContact N-OD2 3.15Å; A83-D138 PolarHBondContact O-N 3.01Å; A83-I139 PolarHBondContact O-N 2.94Å
84	I	98.8	Very high	96.8	Very high	8 Å²	8	64.7 Å²	64.7	4%	0.041	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.5	171.6	-175.3	170.5	0	0	0	110.2	M86 T99 F103 H109 P110 C111 I139 L141	I84-M86 HydrophobicContact CG1-CG 4.26Å; I84-M86 HydrophobicContact CG2-CG 4.33Å; I84-T99 HydrophobicContact CD1-CG2 3.99Å; I84-F103 HydrophobicContact CB-CD1 4.26Å; I84-F103 HydrophobicContact CB-CD2 3.98Å; I84-F103 HydrophobicContact CB-CE1 3.98Å; I84-F103 HydrophobicContact CB-CE2 3.68Å; I84-F103 HydrophobicContact CB-CG 4.25Å; I84-F103 HydrophobicContact CB-CZ 3.69Å; I84-F103 HydrophobicContact CD1-CD2 4.15Å; I84-F103 HydrophobicContact CD1-CE2 4.23Å; I84-F103 HydrophobicContact CG1-CE2 4.5Å; I84-F103 HydrophobicContact CG2-CB 4.07Å; I84-F103 HydrophobicContact CG2-CD1 3.5Å; I84-F103 VanDerWaalsContact CG2-CD1 3.5Å; I84-F103 HydrophobicContact CG2-CD2 3.64Å; I84-F103 HydrophobicContact CG2-CE1 3.71Å; I84-F103 HydrophobicContact CG2-CE2 3.84Å; I84-F103 HydrophobicContact CG2-CG 3.46Å; I84-F103 VanDerWaalsContact CG2-CG 3.46Å; I84-F103 HydrophobicContact CG2-CZ 3.88Å; I84-H109 PolarHBondContact N-O 2.88Å; I84-P110 HydrophobicContact CG2-CB 4.04Å; I84-C111 WeakPolarHBondContact O-CB 3.32Å; I84-C111 PolarHBondContact O-N 3.36Å; I84-I139 WeakPolarHBondContact CA-O 3.39Å; I84-I139 HydrophobicContact CD1-CB 4.48Å; I84-I139 HydrophobicContact CD1-CG2 4.14Å; I84-I139 HydrophobicContact CG1-CB 4.2Å; I84-I139 HydrophobicContact CG1-CG2 4.26Å; I84-L141 HydrophobicContact CD1-CB 3.96Å
85	A	98.6	Very high	96.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.6	168	0	0	0	0	0	109.5	L113 L133 C137 I139 V140 L141	A85-L113 HydrophobicContact CB-CD1 4.16Å; A85-L133 HydrophobicContact CB-CD1 4.39Å; A85-L133 HydrophobicContact CB-CD2 3.97Å; A85-C137 HydrophobicContact CB-CB 4.31Å; A85-I139 PolarHBondContact N-O 2.78Å; A85-V140 HydrophobicContact CB-CG2 4.33Å; A85-V140 CarbonylContact O-C 3.1Å; A85-V140 WeakPolarHBondContact O-CA 3.39Å; A85-L141 PolarHBondContact O-N 3.22Å
86	M	98.6	Very high	96.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	94.3	-176.9	-70.5	-170.9	-54.1	0	0	109.7	I84 F88 T99 E100 P110 C111 F112 L113 L141	I84-M86 HydrophobicContact CG1-CG 4.26Å; I84-M86 HydrophobicContact CG2-CG 4.33Å; M86-F88 HydrophobicContact CB-CD2 4.27Å; M86-F88 HydrophobicContact CB-CE2 3.89Å; M86-T99 HydrophobicContact CG-CG2 4.18Å; M86-T99 HydrophobicContact SD-CG2 3.52Å; M86-T99 VanDerWaalsContact SD-CG2 3.52Å; M86-E100 HydrophobicContact CE-CB 4.03Å; M86-E100 HydrophobicContact CE-CG 4.1Å; M86-E100 HydrophobicContact SD-CB 4.43Å; M86-P110 HydrophobicContact CE-CB 3.69Å; M86-P110 HydrophobicContact SD-CB 4.27Å; M86-C111 WeakPolarHBondContact CB-O 3.44Å; M86-C111 PolarHBondContact N-O 2.91Å; M86-F112 HydrophobicContact CB-CD2 4.39Å; M86-F112 HydrophobicContact CE-CB 3.91Å; M86-F112 HydrophobicContact CE-CD2 4.2Å; M86-L113 PolarHBondContact O-N 2.83Å; M86-L141 CarbonylContact C-O 3.56Å; M86-L141 WeakPolarHBondContact CA-O 3.3Å
87	I	98.2	Very high	96.9	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125	-178.9	-56.1	173.3	0	0	0	110.2	L113 I118 L120 L133 V140 L141 A142 R143	I87-L113 CarbonylContact C-O 3.56Å; I87-L113 WeakPolarHBondContact CA-O 3.46Å; I87-L113 HydrophobicContact CG1-CD1 4.37Å; I87-I118 HydrophobicContact CG1-CD1 4.39Å; I87-I118 HydrophobicContact CG2-CD1 3.84Å; I87-L120 HydrophobicContact CG2-CD2 4.31Å; I87-L133 HydrophobicContact CD1-CD1 3.77Å; I87-V140 HydrophobicContact CD1-CG1 3.99Å; I87-V140 HydrophobicContact CG1-CG1 4.36Å; I87-L141 PolarHBondContact N-O 2.95Å; I87-A142 HydrophobicContact CB-CB 4.34Å; I87-A142 WeakPolarHBondContact O-CA 3.29Å; I87-R143 PolarHBondContact O-N 2.97Å
88	F	97.6	Very high	96.9	Very high	10 Å²	10	61.5 Å²	61.5	4%	0.044	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	107	-178.8	-78.9	-109.2	0	0	0	112	M86 T95 R96 F112 L113 L141 R143	M86-F88 HydrophobicContact CB-CD2 4.27Å; M86-F88 HydrophobicContact CB-CE2 3.89Å; F88-T95 HydrophobicContact CE1-CG2 4.23Å; F88-T95 HydrophobicContact CZ-CG2 3.95Å; F88-R96 HydrophobicContact CE1-CB 4.32Å; F88-R96 HydrophobicContact CZ-CB 4.34Å; F88-F112 HydrophobicContact CB-CE2 3.99Å; F88-F112 HydrophobicContact CB-CZ 4.24Å; F88-F112 HydrophobicContact CD1-CE2 4.27Å; F88-F112 HydrophobicContact CD2-CD2 4Å; F88-F112 AromaticContact CD2-CE2 3.51Å; F88-F112 HydrophobicContact CD2-CE2 3.51Å; F88-F112 HydrophobicContact CE2-CD2 4.36Å; F88-F112 HydrophobicContact CE2-CE2 4.08Å; F88-F112 AromaticContact CG-CE2 3.65Å; F88-F112 HydrophobicContact CG-CE2 3.65Å; F88-F112 HydrophobicContact CG-CZ 4.32Å; F88-L113 PolarHBondContact N-O 3.15Å; F88-L141 HydrophobicContact CE2-CD2 3.7Å; F88-L141 HydrophobicContact CZ-CD2 3.79Å; F88-R143 HydrophobicContact CD1-CB 3.96Å; F88-R143 HydrophobicContact CD1-CG 4.28Å; F88-R143 HydrophobicContact CE1-CB 4.05Å; F88-R143 HydrophobicContact CE1-CG 4.46Å; F88-R143 HydrophobicContact CG-CB 4.29Å; F88-R143 HydrophobicContact CZ-CB 4.47Å
89	E	94.3	Very high	96.9	Very high	51 Å²	51	56.9 Å²	56.9	24%	0.238	29%	0.292	C	S	.	.	S	Bend	trans	-85	-18.1	169.6	-58.2	-175.4	150.4	0	0	112.4	R143 V144 Y145	E89-R143 PolarHBondContact N-O 2.81Å; E89-V144 HydrophobicContact CG-CG1 4.29Å; E89-V144 WeakPolarHBondContact OE2-CA 3.45Å; E89-V144 WeakPolarHBondContact OE2-CB 3.29Å; E89-Y145 HydrophobicContact CB-CD2 3.84Å; E89-Y145 HydrophobicContact CB-CE2 3.75Å; E89-Y145 VanDerWaalsContact OE2-CD2 3.3Å; E89-Y145 WeakPolarHBondContact OE2-CD2 3.28Å; E89-Y145 PolarHBondContact OE2-N 2.98Å
90	K	89.1	Confident	96.9	Very high	34 Å²	34	57.3 Å²	57.3	15%	0.148	29%	0.292	C	S	.	.	S	Bend	trans	-125.5	143.4	-179.8	-58.6	-176.5	82	164.3	0	110.4	S92 R143 Y145 L165 M270	K90-S92 PolarHBondContact O-N 3.28Å; K90-R143 HydrophobicContact CB-CG 4.47Å; K90-Y145 HydrophobicContact CD-CD1 3.72Å; K90-Y145 HydrophobicContact CD-CE1 3.52Å; K90-Y145 HydrophobicContact CD-CE2 4.38Å; K90-Y145 HydrophobicContact CD-CG 4.23Å; K90-Y145 VanDerWaalsContact CE-CE1 3.48Å; K90-Y145 HydrophobicContact CG-CD1 4.17Å; K90-Y145 HydrophobicContact CG-CD2 4.25Å; K90-Y145 HydrophobicContact CG-CE1 3.67Å; K90-Y145 HydrophobicContact CG-CE2 3.75Å; K90-Y145 HydrophobicContact CG-CG 4.43Å; K90-Y145 VanDerWaalsContact CG-CZ 3.43Å; K90-L165 HydrophobicContact CD-CD2 4.42Å; K90-M270 HydrophobicContact CB-CE 4.42Å; K90-M270 PolarHBondContact NZ-O 3.15Å
91	R	89	Confident	96.9	Very high	225 Å²	225	54.1 Å²	54.1	85%	0.849	28%	0.283	S	S	*	.			trans	-56.6	140.9	173.7	-64.5	-177.7	-178.9	-178.3	0.7	111	R143	R91-R143 PolarHBondContact O-NH2 3.38Å
92	S	93.1	Very high	96.9	Very high	19 Å²	19	51.9 Å²	51.9	13%	0.133	26%	0.26	C	S	.	.			trans	-155.7	128.8	170.4	-169.4	0	0	0	0	110.5	K90 T95 R96 R143	K90-S92 PolarHBondContact O-N 3.28Å; S92-T95 VanDerWaalsContact OG-CB 3.23Å; S92-T95 WeakPolarHBondContact OG-CB 3.45Å; S92-T95 PolarHBondContact OG-N 3.12Å; S92-T95 VanDerWaalsContact OG-N 3.15Å; S92-T95 PolarHBondContact OG-OG1 3.21Å; S92-R96 WeakPolarHBondContact O-CB 3.26Å; S92-R143 VanDerWaalsContact CB-CZ 3.46Å; S92-R143 PolarHBondContact OG-NH1 2.96Å; S92-R143 VanDerWaalsContact OG-NH1 3.13Å
93	T	95.5	Very high	96.9	Very high	101 Å²	101	48.3 Å²	48.3	62%	0.62	25%	0.245	S	C	*	.	S	Bend	trans	-86.2	-49.9	167.7	-52.1	0	0	0	0	110.2	M97	T93-M97 HydrophobicContact CG2-CG 4.2Å; T93-M97 VanDerWaalsContact O-CB 3.23Å; T93-M97 WeakPolarHBondContact O-CB 3.21Å; T93-M97 WeakPolarHBondContact O-CG 3.26Å; T93-M97 PolarHBondContact O-N 2.92Å
94	R	97.8	Very high	96.9	Very high	91 Å²	91	49.6 Å²	49.6	34%	0.343	26%	0.255	S	S	.	.	H	α-helix	trans	-68.9	-51.7	-170.7	-70	163.5	-66.5	-80.1	-8.5	112.5	R96 M97 S98 C305 L306 P307	R94-R96 VanDerWaalsContact C-N 3.32Å; R94-R96 PolarHBondContact O-N 3.42Å; R94-M97 PolarHBondContact O-N 3.5Å; R94-S98 VanDerWaalsContact O-CB 3.26Å; R94-S98 WeakPolarHBondContact O-CB 3.34Å; R94-S98 PolarHBondContact O-N 3.35Å; R94-S98 PolarHBondContact O-OG 3.08Å; R94-C305 PolarHBondContact NE-O 3.47Å; R94-L306 VanDerWaalsContact CZ-CB 3.47Å; R94-L306 PolarHBondContact NE-O 3.44Å; R94-L306 PolarHBondContact NH2-O 2.99Å; R94-P307 VanDerWaalsContact NH2-N 3.12Å
95	T	97.9	Very high	96.9	Very high	8 Å²	8	53.4 Å²	53.4	5%	0.049	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-44	178.7	-43.4	0	0	0	0	110.7	F88 S92 S98 T99 L141 R143 I172	F88-T95 HydrophobicContact CE1-CG2 4.23Å; F88-T95 HydrophobicContact CZ-CG2 3.95Å; S92-T95 VanDerWaalsContact OG-CB 3.23Å; S92-T95 WeakPolarHBondContact OG-CB 3.45Å; S92-T95 PolarHBondContact OG-N 3.12Å; S92-T95 VanDerWaalsContact OG-N 3.15Å; S92-T95 PolarHBondContact OG-OG1 3.21Å; T95-S98 PolarHBondContact O-OG 2.81Å; T95-T99 VanDerWaalsContact O-CB 3.26Å; T95-T99 WeakPolarHBondContact O-CB 3.38Å; T95-T99 PolarHBondContact O-N 3.29Å; T95-T99 VanDerWaalsContact O-N 3.08Å; T95-T99 PolarHBondContact O-OG1 3.45Å; T95-L141 HydrophobicContact CG2-CD2 4.23Å; T95-R143 PolarHBondContact OG1-NH1 2.63Å; T95-R143 VanDerWaalsContact OG1-NH1 3.09Å; T95-I172 HydrophobicContact CG2-CD1 3.88Å
96	R	98.1	Very high	96.9	Very high	87 Å²	87	54.7 Å²	54.7	33%	0.328	28%	0.282	S	S	.	.	H	α-helix	trans	-61.2	-58	178.2	-178.1	-175.4	167.2	-135.7	-13.3	110.9	F88 S92 R94 S98 T99 E100 F112	F88-R96 HydrophobicContact CE1-CB 4.32Å; F88-R96 HydrophobicContact CZ-CB 4.34Å; S92-R96 WeakPolarHBondContact O-CB 3.26Å; R94-R96 VanDerWaalsContact C-N 3.32Å; R94-R96 PolarHBondContact O-N 3.42Å; R96-S98 PolarHBondContact O-N 3.44Å; R96-T99 PolarHBondContact O-N 3.43Å; R96-E100 IonicContact CZ-OE2 2.69Å; R96-E100 IonicContact NE-OE2 2.83Å; R96-E100 PolarHBondContact NE-OE2 3.37Å; R96-E100 IonicContact NH2-OE1 3.79Å; R96-E100 PolarHBondContact NH2-OE1 3Å; R96-E100 IonicContact NH2-OE2 3.51Å; R96-E100 PolarHBondContact NH2-OE2 3.32Å; R96-E100 WeakPolarHBondContact O-CB 3.47Å; R96-E100 PolarHBondContact O-N 2.94Å; R96-F112 HydrophobicContact CG-CD2 4.11Å; R96-F112 HydrophobicContact CG-CE2 3.91Å
97	M	98.5	Very high	96.9	Very high	89 Å²	89	55.6 Å²	55.6	44%	0.438	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-43.8	-175.5	-71.5	-59.4	-58.9	0	0	112.5	T93 R94 T101	T93-M97 HydrophobicContact CG2-CG 4.2Å; T93-M97 VanDerWaalsContact O-CB 3.23Å; T93-M97 WeakPolarHBondContact O-CB 3.21Å; T93-M97 WeakPolarHBondContact O-CG 3.26Å; T93-M97 PolarHBondContact O-N 2.92Å; R94-M97 PolarHBondContact O-N 3.5Å; M97-T101 HydrophobicContact CE-CG2 4.03Å; M97-T101 WeakPolarHBondContact O-CB 3.43Å; M97-T101 WeakPolarHBondContact O-CG2 3.22Å; M97-T101 PolarHBondContact O-N 2.86Å; M97-T101 PolarHBondContact O-OG1 3.1Å
98	S	98.6	Very high	97	Very high	73 Å²	73	56.1 Å²	56.1	51%	0.51	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-41.8	179.5	55.6	0	0	0	0	112.3	R94 T95 R96 G102	R94-S98 VanDerWaalsContact O-CB 3.26Å; R94-S98 WeakPolarHBondContact O-CB 3.34Å; R94-S98 PolarHBondContact O-N 3.35Å; R94-S98 PolarHBondContact O-OG 3.08Å; T95-S98 PolarHBondContact O-OG 2.81Å; R96-S98 PolarHBondContact O-N 3.44Å; S98-G102 WeakPolarHBondContact O-CA 3.49Å; S98-G102 PolarHBondContact O-N 2.71Å
99	T	98.8	Very high	97	Very high	21 Å²	21	61.5 Å²	61.5	13%	0.129	32%	0.322	C	S	.	.	H	α-helix	trans	-71.5	-49.8	179.1	-50.7	0	0	0	0	111.1	I84 M86 T95 R96 G102 F103 L141	I84-T99 HydrophobicContact CD1-CG2 3.99Å; M86-T99 HydrophobicContact CG-CG2 4.18Å; M86-T99 HydrophobicContact SD-CG2 3.52Å; M86-T99 VanDerWaalsContact SD-CG2 3.52Å; T95-T99 VanDerWaalsContact O-CB 3.26Å; T95-T99 WeakPolarHBondContact O-CB 3.38Å; T95-T99 PolarHBondContact O-N 3.29Å; T95-T99 VanDerWaalsContact O-N 3.08Å; T95-T99 PolarHBondContact O-OG1 3.45Å; R96-T99 PolarHBondContact O-N 3.43Å; T99-G102 PolarHBondContact O-N 3.28Å; T99-F103 VanDerWaalsContact O-CB 3.25Å; T99-F103 WeakPolarHBondContact O-CB 3.38Å; T99-F103 PolarHBondContact O-N 3.37Å; T99-L141 HydrophobicContact CG2-CD1 3.98Å
100	E	98.8	Very high	97.2	Very high	53 Å²	53	60.4 Å²	60.4	25%	0.248	32%	0.319	C	S	.	.	H	α-helix	trans	-60.9	-51.7	-176.6	-166.9	175.4	133.7	0	0	110.7	M86 R96 A104 P110	M86-E100 HydrophobicContact CE-CB 4.03Å; M86-E100 HydrophobicContact CE-CG 4.1Å; M86-E100 HydrophobicContact SD-CB 4.43Å; R96-E100 IonicContact CZ-OE2 2.69Å; R96-E100 IonicContact NE-OE2 2.83Å; R96-E100 PolarHBondContact NE-OE2 3.37Å; R96-E100 IonicContact NH2-OE1 3.79Å; R96-E100 PolarHBondContact NH2-OE1 3Å; R96-E100 IonicContact NH2-OE2 3.51Å; R96-E100 PolarHBondContact NH2-OE2 3.32Å; R96-E100 WeakPolarHBondContact O-CB 3.47Å; R96-E100 PolarHBondContact O-N 2.94Å; E100-A104 WeakPolarHBondContact O-CB 3.5Å; E100-A104 PolarHBondContact O-N 3.08Å; E100-P110 HydrophobicContact CB-CB 4.4Å; E100-P110 HydrophobicContact CB-CG 4.49Å; E100-P110 HydrophobicContact CG-CB 4Å; E100-P110 HydrophobicContact CG-CG 3.76Å
101	T	98.8	Very high	97.7	Very high	79 Å²	79	60.9 Å²	60.9	49%	0.485	33%	0.326	S	S	.	.	H	α-helix	trans	-71.7	-36.6	179.1	63.1	0	0	0	0	112.6	M97 L105	M97-T101 HydrophobicContact CE-CG2 4.03Å; M97-T101 WeakPolarHBondContact O-CB 3.43Å; M97-T101 WeakPolarHBondContact O-CG2 3.22Å; M97-T101 PolarHBondContact O-N 2.86Å; M97-T101 PolarHBondContact O-OG1 3.1Å; T101-L105 WeakPolarHBondContact O-CB 3.3Å; T101-L105 PolarHBondContact O-N 2.84Å
102	G	98.6	Very high	98.1	Very high	27 Å²	27	53.6 Å²	53.6	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-66.9	-41.6	179.4	0	0	0	0	0	113	S98 T99 L105 L106	S98-G102 WeakPolarHBondContact O-CA 3.49Å; S98-G102 PolarHBondContact O-N 2.71Å; T99-G102 PolarHBondContact O-N 3.28Å; G102-L105 PolarHBondContact O-N 3.34Å; G102-L106 WeakPolarHBondContact O-CG 3.22Å; G102-L106 PolarHBondContact O-N 2.83Å
103	F	98.8	Very high	98.3	Very high	17 Å²	17	54 Å²	54	8%	0.075	30%	0.301	C	S	.	.	H	α-helix	trans	-70.1	-42.5	178.4	-156.4	-90.7	0	0	0	111.5	L79 K82 I84 T99 L105 L106 G108 I139	L79-F103 HydrophobicContact CD1-CD2 3.71Å; L79-F103 HydrophobicContact CD1-CE2 3.56Å; L79-F103 HydrophobicContact CD1-CG 4.28Å; L79-F103 HydrophobicContact CD1-CZ 4.01Å; K82-F103 HydrophobicContact CB-CE1 4.42Å; K82-F103 HydrophobicContact CB-CZ 4.18Å; I84-F103 HydrophobicContact CB-CD1 4.26Å; I84-F103 HydrophobicContact CB-CD2 3.98Å; I84-F103 HydrophobicContact CB-CE1 3.98Å; I84-F103 HydrophobicContact CB-CE2 3.68Å; I84-F103 HydrophobicContact CB-CG 4.25Å; I84-F103 HydrophobicContact CB-CZ 3.69Å; I84-F103 HydrophobicContact CD1-CD2 4.15Å; I84-F103 HydrophobicContact CD1-CE2 4.23Å; I84-F103 HydrophobicContact CG1-CE2 4.5Å; I84-F103 HydrophobicContact CG2-CB 4.07Å; I84-F103 HydrophobicContact CG2-CD1 3.5Å; I84-F103 VanDerWaalsContact CG2-CD1 3.5Å; I84-F103 HydrophobicContact CG2-CD2 3.64Å; I84-F103 HydrophobicContact CG2-CE1 3.71Å; I84-F103 HydrophobicContact CG2-CE2 3.84Å; I84-F103 HydrophobicContact CG2-CG 3.46Å; I84-F103 VanDerWaalsContact CG2-CG 3.46Å; I84-F103 HydrophobicContact CG2-CZ 3.88Å; T99-F103 VanDerWaalsContact O-CB 3.25Å; T99-F103 WeakPolarHBondContact O-CB 3.38Å; T99-F103 PolarHBondContact O-N 3.37Å; F103-L105 VanDerWaalsContact C-N 3.35Å; F103-L105 PolarHBondContact O-N 2.95Å; F103-L106 PolarHBondContact O-N 2.6Å; F103-G108 PolarHBondContact O-N 2.98Å; F103-G108 VanDerWaalsContact O-N 3.1Å; F103-I139 HydrophobicContact CE2-CD1 4.32Å
104	A	98.8	Very high	98.4	Very high	48 Å²	48	50.4 Å²	50.4	40%	0.397	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-39	174.5	0	0	0	0	0	112.6	E100 L106 G107 G108 P110	E100-A104 WeakPolarHBondContact O-CB 3.5Å; E100-A104 PolarHBondContact O-N 3.08Å; A104-L106 PolarHBondContact O-N 3.14Å; A104-G107 PolarHBondContact O-N 2.8Å; A104-G108 WeakPolarHBondContact CA-O 3.46Å; A104-P110 HydrophobicContact CB-CG 4.37Å
105	L	98.6	Very high	98.1	Very high	87 Å²	87	48.7 Å²	48.7	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-29.2	176.7	-178.9	61.1	0	0	0	112.9	I69 T101 G102 F103 G107	I69-L105 HydrophobicContact CD1-CD2 4.39Å; I69-L105 HydrophobicContact CG2-CD1 4.15Å; I69-L105 HydrophobicContact CG2-CD2 3.92Å; I69-L105 HydrophobicContact CG2-CG 4.25Å; T101-L105 WeakPolarHBondContact O-CB 3.3Å; T101-L105 PolarHBondContact O-N 2.84Å; G102-L105 PolarHBondContact O-N 3.34Å; F103-L105 VanDerWaalsContact C-N 3.35Å; F103-L105 PolarHBondContact O-N 2.95Å; L105-G107 VanDerWaalsContact C-N 3.3Å
106	L	98.7	Very high	97.9	Very high	27 Å²	27	56.2 Å²	56.2	14%	0.141	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	9.8	175.4	-62.1	176.5	0	0	0	113	L65 I69 L76 P77 L78 L79 G102 F103 A104	L65-L106 HydrophobicContact CD2-CD2 4.4Å; I69-L106 HydrophobicContact CD1-CD2 3.96Å; L76-L106 WeakPolarHBondContact O-CA 3.36Å; P77-L106 CarbonylContact C-O 3.59Å; P77-L106 VanDerWaalsContact CA-O 3.25Å; P77-L106 WeakPolarHBondContact CA-O 3.38Å; L78-L106 HydrophobicContact CD1-CD2 4.41Å; L78-L106 PolarHBondContact N-O 3.34Å; L78-L106 VanDerWaalsContact N-O 3.15Å; L79-L106 CarbonylContact C-O 3.21Å; L79-L106 WeakPolarHBondContact CA-O 3.49Å; L79-L106 HydrophobicContact CB-CB 4.08Å; L79-L106 HydrophobicContact CD1-CB 3.92Å; L79-L106 HydrophobicContact CD1-CD1 3.8Å; L79-L106 HydrophobicContact CG-CB 3.94Å; L79-L106 HydrophobicContact CG-CD1 4.28Å; L79-L106 PolarHBondContact N-O 2.86Å; G102-L106 WeakPolarHBondContact O-CG 3.22Å; G102-L106 PolarHBondContact O-N 2.83Å; F103-L106 PolarHBondContact O-N 2.6Å; A104-L106 PolarHBondContact O-N 3.14Å
107	G	98.6	Very high	97.6	Very high	20 Å²	20	56.9 Å²	56.9	21%	0.206	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	5.8	176	0	0	0	0	0	115.4	L79 Q80 A104 L105	L79-G107 CarbonylContact O-C 3.54Å; Q80-G107 WeakPolarHBondContact CA-O 3.44Å; A104-G107 PolarHBondContact O-N 2.8Å; L105-G107 VanDerWaalsContact C-N 3.3Å
108	G	98.6	Very high	97.4	Very high	11 Å²	11	54.3 Å²	54.3	11%	0.113	31%	0.313	C	S	.	.			trans	-90.3	171.1	178.2	0	0	0	0	0	113.8	L79 K82 F103 A104	L79-G108 VanDerWaalsContact O-CA 3.26Å; L79-G108 WeakPolarHBondContact O-CA 3.47Å; L79-G108 PolarHBondContact O-N 3.39Å; K82-G108 CarbonylContact O-C 3.57Å; K82-G108 VanDerWaalsContact O-CA 3.29Å; K82-G108 WeakPolarHBondContact O-CA 3.34Å; F103-G108 PolarHBondContact O-N 2.98Å; F103-G108 VanDerWaalsContact O-N 3.1Å; A104-G108 WeakPolarHBondContact CA-O 3.46Å
109	H	98.8	Very high	97.1	Very high	124 Å²	124	55.8 Å²	55.8	57%	0.574	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.7	178.3	-174.3	74.6	0	0	0	112	K82 A83 I84	K82-H109 PolarHBondContact O-N 3.28Å; A83-H109 VanDerWaalsContact CA-O 3.31Å; A83-H109 WeakPolarHBondContact CA-O 3.44Å; I84-H109 PolarHBondContact N-O 2.88Å
110	P	98.6	Very high	96.6	Very high	27 Å²	27	55.9 Å²	55.9	18%	0.175	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	123.2	173	33	-34.3	0	0	0	112	I84 M86 E100 A104	I84-P110 HydrophobicContact CG2-CB 4.04Å; M86-P110 HydrophobicContact CE-CB 3.69Å; M86-P110 HydrophobicContact SD-CB 4.27Å; E100-P110 HydrophobicContact CB-CB 4.4Å; E100-P110 HydrophobicContact CB-CG 4.49Å; E100-P110 HydrophobicContact CG-CB 4Å; E100-P110 HydrophobicContact CG-CG 3.76Å; A104-P110 HydrophobicContact CB-CG 4.37Å
111	C	98.4	Very high	95.7	Very high	44 Å²	44	56.9 Å²	56.9	30%	0.297	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	109.7	176.4	-176.3	0	0	0	0	110	I84 M86	I84-C111 WeakPolarHBondContact O-CB 3.32Å; I84-C111 PolarHBondContact O-N 3.36Å; M86-C111 WeakPolarHBondContact CB-O 3.44Å; M86-C111 PolarHBondContact N-O 2.91Å
112	F	98.3	Very high	95.1	Very high	72 Å²	72	58.6 Å²	58.6	32%	0.316	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.4	-177.6	-176	-109.6	0	0	0	111.7	M86 F88 R96 T114	M86-F112 HydrophobicContact CB-CD2 4.39Å; M86-F112 HydrophobicContact CE-CB 3.91Å; M86-F112 HydrophobicContact CE-CD2 4.2Å; F88-F112 HydrophobicContact CB-CE2 3.99Å; F88-F112 HydrophobicContact CB-CZ 4.24Å; F88-F112 HydrophobicContact CD1-CE2 4.27Å; F88-F112 HydrophobicContact CD2-CD2 4Å; F88-F112 AromaticContact CD2-CE2 3.51Å; F88-F112 HydrophobicContact CD2-CE2 3.51Å; F88-F112 HydrophobicContact CE2-CD2 4.36Å; F88-F112 HydrophobicContact CE2-CE2 4.08Å; F88-F112 AromaticContact CG-CE2 3.65Å; F88-F112 HydrophobicContact CG-CE2 3.65Å; F88-F112 HydrophobicContact CG-CZ 4.32Å; R96-F112 HydrophobicContact CG-CD2 4.11Å; R96-F112 HydrophobicContact CG-CE2 3.91Å; F112-T114 HydrophobicContact CD1-CG2 4.13Å; F112-T114 HydrophobicContact CE1-CG2 3.33Å; F112-T114 HydrophobicContact CZ-CG2 3.73Å
113	L	97.5	Very high	94.7	Very high	29 Å²	29	63.2 Å²	63.2	15%	0.152	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119	-173.2	-58.8	174.6	0	0	0	110	A85 M86 I87 F88 I118 L133	A85-L113 HydrophobicContact CB-CD1 4.16Å; M86-L113 PolarHBondContact O-N 2.83Å; I87-L113 CarbonylContact C-O 3.56Å; I87-L113 WeakPolarHBondContact CA-O 3.46Å; I87-L113 HydrophobicContact CG1-CD1 4.37Å; F88-L113 PolarHBondContact N-O 3.15Å; L113-I118 HydrophobicContact CB-CG2 3.83Å; L113-I118 HydrophobicContact CD1-CG2 4.13Å; L113-I118 HydrophobicContact CD2-CG2 3.94Å; L113-I118 HydrophobicContact CG-CG2 4.17Å; L113-L133 HydrophobicContact CD1-CD2 4.4Å
114	T	96.4	Very high	94.5	Very high	24 Å²	24	65.6 Å²	65.6	15%	0.147	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	166.6	173.8	72.2	0	0	0	0	111.3	F112 Q116 D117 I118	F112-T114 HydrophobicContact CD1-CG2 4.13Å; F112-T114 HydrophobicContact CE1-CG2 3.33Å; F112-T114 HydrophobicContact CZ-CG2 3.73Å; T114-Q116 PolarHBondContact O-N 3.18Å; T114-Q116 PolarHBondContact OG1-N 3.31Å; T114-Q116 PolarHBondContact OG1-OE1 3.27Å; T114-D117 WeakPolarHBondContact CA-OD2 3.46Å; T114-D117 VanDerWaalsContact CB-OD2 3.3Å; T114-D117 WeakPolarHBondContact CB-OD2 3.44Å; T114-D117 PolarHBondContact N-OD2 2.67Å; T114-D117 PolarHBondContact O-N 3.49Å; T114-D117 VanDerWaalsContact OG1-CG 3.28Å; T114-D117 PolarHBondContact OG1-OD2 3.19Å; T114-I118 PolarHBondContact O-N 3.03Å
115	S	91.6	Very high	94.3	Very high	56 Å²	56	65.7 Å²	65.7	39%	0.392	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-13.8	171.4	-50.8	0	0	0	0	114
116	Q	93.8	Very high	94.1	Very high	166 Å²	166	62.2 Å²	62.2	78%	0.776	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-18.9	173.1	-68.2	72.9	51.2	0	0	112.7	T114	T114-Q116 PolarHBondContact O-N 3.18Å; T114-Q116 PolarHBondContact OG1-N 3.31Å; T114-Q116 PolarHBondContact OG1-OE1 3.27Å
117	D	93.5	Very high	94	Very high	101 Å²	101	62.3 Å²	62.3	54%	0.54	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-34.8	-174.8	-53.8	-53.5	0	0	0	112.4	T114	T114-D117 WeakPolarHBondContact CA-OD2 3.46Å; T114-D117 VanDerWaalsContact CB-OD2 3.3Å; T114-D117 WeakPolarHBondContact CB-OD2 3.44Å; T114-D117 PolarHBondContact N-OD2 2.67Å; T114-D117 PolarHBondContact O-N 3.49Å; T114-D117 VanDerWaalsContact OG1-CG 3.28Å; T114-D117 PolarHBondContact OG1-OD2 3.19Å
118	I	92.7	Very high	93.9	Very high	34 Å²	34	65.1 Å²	65.1	17%	0.174	37%	0.369	C	S	.	.			trans	-109	160.3	-172	68.4	176.5	0	0	0	112.9	I87 L113 T114 L120	I87-I118 HydrophobicContact CG1-CD1 4.39Å; I87-I118 HydrophobicContact CG2-CD1 3.84Å; L113-I118 HydrophobicContact CB-CG2 3.83Å; L113-I118 HydrophobicContact CD1-CG2 4.13Å; L113-I118 HydrophobicContact CD2-CG2 3.94Å; L113-I118 HydrophobicContact CG-CG2 4.17Å; T114-I118 PolarHBondContact O-N 3.03Å; I118-L120 HydrophobicContact CD1-CB 3.64Å; I118-L120 HydrophobicContact CD1-CD2 4.1Å; I118-L120 HydrophobicContact CG1-CB 3.97Å
119	H	92.2	Very high	93.9	Very high	105 Å²	105	65 Å²	65	49%	0.486	37%	0.366	S	S	.	.			trans	-85.8	-7.3	-179	-69.8	-43.3	0	0	0	114.9	G121 V122 N123 E124	H119-G121 PolarHBondContact O-N 3.24Å; H119-V122 PolarHBondContact O-N 3.43Å; H119-N123 HydrophobicContact CB-CB 3.91Å; H119-N123 PolarHBondContact ND1-ND2 2.91Å; H119-N123 PolarHBondContact O-N 3.06Å; H119-E124 HydrophobicContact CB-CB 3.56Å; H119-E124 PolarHBondContact O-N 2.91Å
120	L	88.6	Confident	93.8	Very high	22 Å²	22	59.2 Å²	59.2	12%	0.115	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-51.5	121.8	-177.7	-179.2	62.8	0	0	0	111.7	I87 I118 V122 C126 T129	I87-L120 HydrophobicContact CG2-CD2 4.31Å; I118-L120 HydrophobicContact CD1-CB 3.64Å; I118-L120 HydrophobicContact CD1-CD2 4.1Å; I118-L120 HydrophobicContact CG1-CB 3.97Å; L120-V122 PolarHBondContact O-N 3.49Å; L120-C126 VanDerWaalsContact CD1-CA 3.49Å; L120-C126 HydrophobicContact CD1-CB 3.84Å; L120-T129 HydrophobicContact CB-CG2 4.46Å; L120-T129 HydrophobicContact CD1-CG2 4.37Å
121	G	79.7	Confident	93.8	Very high	74 Å²	74	64.8 Å²	64.8	76%	0.763	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-2	176.7	0	0	0	0	0	115.1	H119 E124	H119-G121 PolarHBondContact O-N 3.24Å; G121-E124 PolarHBondContact N-O 3.04Å; G121-E124 VanDerWaalsContact N-O 3.1Å
122	V	87.1	Confident	93.8	Very high	115 Å²	115	66.1 Å²	66.1	70%	0.697	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	-63.9	176.7	-174.5	0	0	0	0	110.9	H119 L120	H119-V122 PolarHBondContact O-N 3.43Å; L120-V122 PolarHBondContact O-N 3.49Å
123	N	90.1	Very high	93.8	Very high	125 Å²	125	63.5 Å²	63.5	67%	0.668	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-7.2	-176.1	-64.4	-27.8	0	0	0	113	H119	H119-N123 HydrophobicContact CB-CB 3.91Å; H119-N123 PolarHBondContact ND1-ND2 2.91Å; H119-N123 PolarHBondContact O-N 3.06Å
124	E	93.4	Very high	93.9	Very high	66 Å²	66	63 Å²	63	31%	0.308	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-140.9	143.3	-177.3	-166.1	173.3	-125.5	0	0	111.1	H119 G121 D128 T129	H119-E124 HydrophobicContact CB-CB 3.56Å; H119-E124 PolarHBondContact O-N 2.91Å; G121-E124 PolarHBondContact N-O 3.04Å; G121-E124 VanDerWaalsContact N-O 3.1Å; E124-D128 HydrophobicContact CG-CB 3.78Å; E124-T129 PolarHBondContact OE2-OG1 2.95Å
125	S	95.3	Very high	93.9	Very high	50 Å²	50	65.1 Å²	65.1	35%	0.35	38%	0.378	S	S	.	.			trans	-73.3	154	177.4	77.6	0	0	0	0	111	T127 D128 T129	S125-T127 PolarHBondContact O-N 3.43Å; S125-D128 PolarHBondContact O-N 3.32Å; S125-D128 WeakPolarHBondContact OG-CB 3.45Å; S125-D128 PolarHBondContact OG-N 3.04Å; S125-D128 PolarHBondContact OG-OD2 2.75Å; S125-T129 PolarHBondContact O-N 3.08Å; S125-T129 PolarHBondContact O-OG1 2.71Å
126	C	94.7	Very high	94.2	Very high	15 Å²	15	68.5 Å²	68.5	10%	0.101	39%	0.391	C	S	.	.	H	α-helix	trans	-60.5	-35.8	175	-177	0	0	0	0	111.8	L120 A130 E152 L153	L120-C126 VanDerWaalsContact CD1-CA 3.49Å; L120-C126 HydrophobicContact CD1-CB 3.84Å; C126-A130 VanDerWaalsContact O-CB 3.27Å; C126-A130 WeakPolarHBondContact O-CB 3.47Å; C126-A130 PolarHBondContact O-N 3.49Å; C126-E152 HydrophobicContact CB-CG 4.12Å; C126-E152 WeakPolarHBondContact CB-OE1 3.21Å; C126-L153 VanDerWaalsContact SG-CD2 3.6Å
127	T	96.1	Very high	94.4	Very high	29 Å²	29	61.6 Å²	61.6	18%	0.178	36%	0.361	C	S	.	.	H	α-helix	trans	-59.9	-49.5	174.6	-64.4	0	0	0	0	112.6	S125 A130 R131 E152 E156	S125-T127 PolarHBondContact O-N 3.43Å; T127-A130 PolarHBondContact O-N 2.81Å; T127-R131 WeakPolarHBondContact O-CG 3.48Å; T127-R131 PolarHBondContact O-N 3.34Å; T127-E152 PolarHBondContact OG1-OE1 3.18Å; T127-E156 HydrophobicContact CG2-CB 4.4Å; T127-E156 HydrophobicContact CG2-CG 3.91Å; T127-E156 WeakPolarHBondContact CG2-OE2 3.36Å
128	D	97.6	Very high	94.7	Very high	79 Å²	79	59.2 Å²	59.2	42%	0.422	35%	0.348	S	S	.	.	H	α-helix	trans	-68.4	-44.8	-178.5	-62.4	-40.8	0	0	0	111	E124 S125 A130 R131 V132	E124-D128 HydrophobicContact CG-CB 3.78Å; S125-D128 PolarHBondContact O-N 3.32Å; S125-D128 WeakPolarHBondContact OG-CB 3.45Å; S125-D128 PolarHBondContact OG-N 3.04Å; S125-D128 PolarHBondContact OG-OD2 2.75Å; D128-A130 VanDerWaalsContact C-N 3.31Å; D128-A130 PolarHBondContact O-N 2.93Å; D128-R131 PolarHBondContact O-N 3.39Å; D128-V132 WeakPolarHBondContact O-CG2 3.23Å; D128-V132 PolarHBondContact O-N 3.24Å
129	T	97.4	Very high	95	Very high	8 Å²	8	59.7 Å²	59.7	5%	0.049	35%	0.351	C	S	.	.	H	α-helix	trans	-56.8	-44.2	174.6	-60.7	0	0	0	0	111.4	L120 E124 S125 R131 V132 L133	L120-T129 HydrophobicContact CB-CG2 4.46Å; L120-T129 HydrophobicContact CD1-CG2 4.37Å; E124-T129 PolarHBondContact OE2-OG1 2.95Å; S125-T129 PolarHBondContact O-N 3.08Å; S125-T129 PolarHBondContact O-OG1 2.71Å; T129-R131 VanDerWaalsContact C-N 3.35Å; T129-R131 PolarHBondContact O-N 3.19Å; T129-V132 PolarHBondContact O-N 2.84Å; T129-L133 HydrophobicContact CG2-CD1 3.94Å; T129-L133 HydrophobicContact CG2-CG 4.33Å; T129-L133 WeakPolarHBondContact O-CB 3.5Å; T129-L133 VanDerWaalsContact O-CG 3.31Å; T129-L133 WeakPolarHBondContact O-CG 3.48Å; T129-L133 PolarHBondContact O-N 3.25Å
130	A	97.8	Very high	95.3	Very high	2 Å²	2	54.8 Å²	54.8	2%	0.017	33%	0.328	C	S	.	.	H	α-helix	trans	-59.6	-43.2	178.3	0	0	0	0	0	112.5	C126 T127 D128 S134 L153 E156 A157	C126-A130 VanDerWaalsContact O-CB 3.27Å; C126-A130 WeakPolarHBondContact O-CB 3.47Å; C126-A130 PolarHBondContact O-N 3.49Å; T127-A130 PolarHBondContact O-N 2.81Å; D128-A130 VanDerWaalsContact C-N 3.31Å; D128-A130 PolarHBondContact O-N 2.93Å; A130-S134 WeakPolarHBondContact O-CB 3.47Å; A130-S134 PolarHBondContact O-N 2.84Å; A130-S134 PolarHBondContact O-OG 3.06Å; A130-L153 HydrophobicContact CB-CD2 4.01Å; A130-E156 HydrophobicContact CB-CB 3.78Å; A130-A157 HydrophobicContact CB-CB 4.3Å
131	R	98.3	Very high	95.8	Very high	144 Å²	144	54 Å²	54	54%	0.543	32%	0.324	S	S	.	.	H	α-helix	trans	-69.5	-40.9	179.6	-69.4	175.3	-175.3	-176.6	5	112.2	T127 D128 T129 S134 G135 E156	T127-R131 WeakPolarHBondContact O-CG 3.48Å; T127-R131 PolarHBondContact O-N 3.34Å; D128-R131 PolarHBondContact O-N 3.39Å; T129-R131 VanDerWaalsContact C-N 3.35Å; T129-R131 PolarHBondContact O-N 3.19Å; R131-S134 WeakPolarHBondContact O-CB 3.24Å; R131-S134 PolarHBondContact O-N 2.91Å; R131-G135 PolarHBondContact O-N 2.99Å; R131-E156 IonicContact CZ-OE2 3.72Å; R131-E156 IonicContact NE-OE2 2.79Å; R131-E156 IonicContact NH2-OE2 3.81Å; R131-E156 PolarHBondContact NH2-OE2 3.22Å
132	V	98.3	Very high	96.7	Very high	72 Å²	72	50.5 Å²	50.5	44%	0.436	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-49.5	174.7	170.1	0	0	0	0	110.3	D128 T129 S134 G135 L136	D128-V132 WeakPolarHBondContact O-CG2 3.23Å; D128-V132 PolarHBondContact O-N 3.24Å; T129-V132 PolarHBondContact O-N 2.84Å; V132-S134 VanDerWaalsContact C-N 3.27Å; V132-S134 PolarHBondContact O-N 2.49Å; V132-G135 PolarHBondContact O-N 3.33Å; V132-G135 VanDerWaalsContact O-N 3.08Å; V132-L136 HydrophobicContact CG1-CD1 3.68Å; V132-L136 WeakPolarHBondContact O-CG 3.3Å; V132-L136 PolarHBondContact O-N 3.35Å
133	L	98.1	Very high	97.2	Very high	18 Å²	18	45.6 Å²	45.6	9%	0.094	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-35.2	179	-70.3	178	0	0	0	112.6	A85 I87 L113 T129 G135 L136 C137 V140	A85-L133 HydrophobicContact CB-CD1 4.39Å; A85-L133 HydrophobicContact CB-CD2 3.97Å; I87-L133 HydrophobicContact CD1-CD1 3.77Å; L113-L133 HydrophobicContact CD1-CD2 4.4Å; T129-L133 HydrophobicContact CG2-CD1 3.94Å; T129-L133 HydrophobicContact CG2-CG 4.33Å; T129-L133 WeakPolarHBondContact O-CB 3.5Å; T129-L133 VanDerWaalsContact O-CG 3.31Å; T129-L133 WeakPolarHBondContact O-CG 3.48Å; T129-L133 PolarHBondContact O-N 3.25Å; L133-G135 PolarHBondContact O-N 3.35Å; L133-L136 PolarHBondContact O-N 3.31Å; L133-L136 VanDerWaalsContact O-N 3.1Å; L133-C137 PolarHBondContact O-N 2.83Å; L133-V140 HydrophobicContact CB-CG2 4.27Å; L133-V140 HydrophobicContact CD1-CG2 4.19Å
134	S	98.3	Very high	97.5	Very high	18 Å²	18	39.6 Å²	39.6	13%	0.126	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-27.8	175.5	-62.1	0	0	0	0	113.8	A130 R131 V132 A157 S158	A130-S134 WeakPolarHBondContact O-CB 3.47Å; A130-S134 PolarHBondContact O-N 2.84Å; A130-S134 PolarHBondContact O-OG 3.06Å; R131-S134 WeakPolarHBondContact O-CB 3.24Å; R131-S134 PolarHBondContact O-N 2.91Å; V132-S134 VanDerWaalsContact C-N 3.27Å; V132-S134 PolarHBondContact O-N 2.49Å; S134-A157 VanDerWaalsContact OG-CA 3.23Å; S134-A157 WeakPolarHBondContact OG-CA 3.46Å; S134-A157 WeakPolarHBondContact OG-CB 3.23Å; S134-S158 WeakPolarHBondContact CB-OG 3.33Å; S134-S158 PolarHBondContact OG-N 3.05Å
135	G	97.8	Very high	97.5	Very high	69 Å²	69	42.2 Å²	42.2	71%	0.711	23%	0.233	S	C	*	.	H	α-helix	trans	-87.3	-14.1	175.4	0	0	0	0	0	114.5	R131 V132 L133	R131-G135 PolarHBondContact O-N 2.99Å; V132-G135 PolarHBondContact O-N 3.33Å; V132-G135 VanDerWaalsContact O-N 3.08Å; L133-G135 PolarHBondContact O-N 3.35Å
136	L	98.2	Very high	97.5	Very high	127 Å²	127	41.3 Å²	41.3	67%	0.665	23%	0.226	S	C	*	.	H	α-helix	trans	-115	-21.5	-170.9	-64.1	178.1	0	0	0	114	V132 L133	V132-L136 HydrophobicContact CG1-CD1 3.68Å; V132-L136 WeakPolarHBondContact O-CG 3.3Å; V132-L136 PolarHBondContact O-N 3.35Å; L133-L136 PolarHBondContact O-N 3.31Å; L133-L136 VanDerWaalsContact O-N 3.1Å
137	C	98.3	Very high	97.7	Very high	20 Å²	20	41.2 Å²	41.2	14%	0.135	22%	0.224	C	C	.	.			trans	-133.2	166.3	-174.7	-68.9	0	0	0	0	110.8	A85 L133 I159	A85-C137 HydrophobicContact CB-CB 4.31Å; L133-C137 PolarHBondContact O-N 2.83Å; C137-I159 HydrophobicContact CB-CD1 4.24Å; C137-I159 WeakPolarHBondContact O-CD1 3.06Å
138	D	98.8	Very high	97.7	Very high	51 Å²	51	42.9 Å²	42.9	27%	0.273	24%	0.237	S	C	.	.	S	Bend	trans	-98.5	-23.3	177.6	-61.2	-97.4	0	0	0	112.8	K82 A83 P160	K82-D138 WeakPolarHBondContact CA-OD2 3.45Å; K82-D138 HydrophobicContact CB-CB 4.45Å; K82-D138 HydrophobicContact CD-CB 4.06Å; K82-D138 WeakPolarHBondContact CD-OD1 3.23Å; K82-D138 WeakPolarHBondContact CD-OD2 3.3Å; K82-D138 IonicContact NZ-OD1 2.75Å; K82-D138 PolarHBondContact NZ-OD1 3.17Å; A83-D138 PolarHBondContact N-OD2 3.15Å; A83-D138 PolarHBondContact O-N 3.01Å; D138-P160 WeakPolarHBondContact O-CD 3.42Å
139	I	98.6	Very high	97.7	Very high	44 Å²	44	40.4 Å²	40.4	23%	0.226	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	147.8	-177.2	-56	179.7	0	0	0	108.9	A83 I84 A85 F103 I162	A83-I139 PolarHBondContact O-N 2.94Å; I84-I139 WeakPolarHBondContact CA-O 3.39Å; I84-I139 HydrophobicContact CD1-CB 4.48Å; I84-I139 HydrophobicContact CD1-CG2 4.14Å; I84-I139 HydrophobicContact CG1-CB 4.2Å; I84-I139 HydrophobicContact CG1-CG2 4.26Å; A85-I139 PolarHBondContact N-O 2.78Å; F103-I139 HydrophobicContact CE2-CD1 4.32Å; I139-I162 HydrophobicContact CG2-CG1 3.91Å
140	V	98.8	Very high	97.7	Very high	2 Å²	2	40 Å²	40	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.4	165.8	-176.6	0	0	0	0	109.6	A85 I87 L133 A142 I159 P160 I161 I162	A85-V140 HydrophobicContact CB-CG2 4.33Å; A85-V140 CarbonylContact O-C 3.1Å; A85-V140 WeakPolarHBondContact O-CA 3.39Å; I87-V140 HydrophobicContact CD1-CG1 3.99Å; I87-V140 HydrophobicContact CG1-CG1 4.36Å; L133-V140 HydrophobicContact CB-CG2 4.27Å; L133-V140 HydrophobicContact CD1-CG2 4.19Å; V140-A142 HydrophobicContact CG1-CB 4.3Å; V140-I159 HydrophobicContact CG2-CD1 3.78Å; V140-I159 HydrophobicContact CG2-CG1 4.34Å; V140-P160 PolarHBondContact N-O 2.83Å; V140-I161 HydrophobicContact CB-CD1 3.62Å; V140-I161 HydrophobicContact CG1-CD1 4.37Å; V140-I161 HydrophobicContact CG2-CD1 3.82Å; V140-I161 CarbonylContact O-C 3.41Å; V140-I161 WeakPolarHBondContact O-CA 3.23Å; V140-I162 PolarHBondContact O-N 3.1Å
141	L	98.8	Very high	97.7	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.037	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.9	158.5	178.8	145	0	0	0	108.4	I84 A85 M86 I87 F88 T95 T99 I162 I172	I84-L141 HydrophobicContact CD1-CB 3.96Å; A85-L141 PolarHBondContact O-N 3.22Å; M86-L141 CarbonylContact C-O 3.56Å; M86-L141 WeakPolarHBondContact CA-O 3.3Å; I87-L141 PolarHBondContact N-O 2.95Å; F88-L141 HydrophobicContact CE2-CD2 3.7Å; F88-L141 HydrophobicContact CZ-CD2 3.79Å; T95-L141 HydrophobicContact CG2-CD2 4.23Å; T99-L141 HydrophobicContact CG2-CD1 3.98Å; L141-I162 WeakPolarHBondContact CA-O 3.4Å; L141-I162 HydrophobicContact CB-CB 4.32Å; L141-I162 HydrophobicContact CD1-CB 4.48Å; L141-I162 HydrophobicContact CD1-CG2 4.11Å; L141-I162 HydrophobicContact CG-CB 4.48Å; L141-I172 HydrophobicContact CD1-CD1 4.46Å
142	A	98.5	Very high	97.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.8	-178.4	0	0	0	0	0	110.6	I87 V140 V144 L150 L153 I162 G164	I87-A142 HydrophobicContact CB-CB 4.34Å; I87-A142 WeakPolarHBondContact O-CA 3.29Å; V140-A142 HydrophobicContact CG1-CB 4.3Å; A142-V144 HydrophobicContact CB-CG1 4.19Å; A142-L150 HydrophobicContact CB-CD2 3.62Å; A142-L153 HydrophobicContact CB-CD1 3.89Å; A142-I162 PolarHBondContact N-O 3.34Å; A142-G164 PolarHBondContact O-N 3.22Å
143	R	97.9	Very high	97.7	Very high	11 Å²	11	37.5 Å²	37.5	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	104.1	170.2	174.6	170.1	177.9	130.1	-6.6	108.2	I87 F88 E89 K90 R91 S92 T95 L165	I87-R143 PolarHBondContact O-N 2.97Å; F88-R143 HydrophobicContact CD1-CB 3.96Å; F88-R143 HydrophobicContact CD1-CG 4.28Å; F88-R143 HydrophobicContact CE1-CB 4.05Å; F88-R143 HydrophobicContact CE1-CG 4.46Å; F88-R143 HydrophobicContact CG-CB 4.29Å; F88-R143 HydrophobicContact CZ-CB 4.47Å; E89-R143 PolarHBondContact N-O 2.81Å; K90-R143 HydrophobicContact CB-CG 4.47Å; R91-R143 PolarHBondContact O-NH2 3.38Å; S92-R143 VanDerWaalsContact CB-CZ 3.46Å; S92-R143 PolarHBondContact OG-NH1 2.96Å; S92-R143 VanDerWaalsContact OG-NH1 3.13Å; T95-R143 PolarHBondContact OG1-NH1 2.63Å; T95-R143 VanDerWaalsContact OG1-NH1 3.09Å; R143-L165 WeakPolarHBondContact CA-O 3.45Å; R143-L165 HydrophobicContact CG-CB 4.09Å; R143-L165 HydrophobicContact CG-CD2 4.37Å
144	V	95.9	Very high	97.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.223	C	C	.	.			trans	-123.9	168.9	-168.6	-64.4	0	0	0	0	111	E89 A142 S146 T149 L150 L165 S166	E89-V144 HydrophobicContact CG-CG1 4.29Å; E89-V144 WeakPolarHBondContact OE2-CA 3.45Å; E89-V144 WeakPolarHBondContact OE2-CB 3.29Å; A142-V144 HydrophobicContact CB-CG1 4.19Å; V144-S146 WeakPolarHBondContact CG2-O 3.39Å; V144-T149 HydrophobicContact CB-CG2 4.49Å; V144-T149 HydrophobicContact CG1-CG2 4.01Å; V144-L150 HydrophobicContact CG2-CD1 3.93Å; V144-L150 HydrophobicContact CG2-CD2 4.17Å; V144-L150 HydrophobicContact CG2-CG 3.65Å; V144-L165 PolarHBondContact N-O 2.81Å; V144-S166 WeakPolarHBondContact O-CA 3.32Å
145	Y	93.6	Very high	97.7	Very high	120 Å²	120	46.7 Å²	46.7	47%	0.471	25%	0.248	S	C	.	.	S	Bend	trans	-74.4	-66.9	167.6	-68	-88.4	0	0	0	110.4	E89 K90 E167	E89-Y145 HydrophobicContact CB-CD2 3.84Å; E89-Y145 HydrophobicContact CB-CE2 3.75Å; E89-Y145 VanDerWaalsContact OE2-CD2 3.3Å; E89-Y145 WeakPolarHBondContact OE2-CD2 3.28Å; E89-Y145 PolarHBondContact OE2-N 2.98Å; K90-Y145 HydrophobicContact CD-CD1 3.72Å; K90-Y145 HydrophobicContact CD-CE1 3.52Å; K90-Y145 HydrophobicContact CD-CE2 4.38Å; K90-Y145 HydrophobicContact CD-CG 4.23Å; K90-Y145 VanDerWaalsContact CE-CE1 3.48Å; K90-Y145 HydrophobicContact CG-CD1 4.17Å; K90-Y145 HydrophobicContact CG-CD2 4.25Å; K90-Y145 HydrophobicContact CG-CE1 3.67Å; K90-Y145 HydrophobicContact CG-CE2 3.75Å; K90-Y145 HydrophobicContact CG-CG 4.43Å; K90-Y145 VanDerWaalsContact CG-CZ 3.43Å; Y145-E167 VanDerWaalsContact O-CB 3.27Å; Y145-E167 WeakPolarHBondContact O-CB 3.17Å; Y145-E167 VanDerWaalsContact O-CG 3.29Å; Y145-E167 WeakPolarHBondContact O-CG 3.5Å; Y145-E167 PolarHBondContact O-N 2.87Å
146	S	95.9	Very high	97.7	Very high	31 Å²	31	45.6 Å²	45.6	22%	0.217	22%	0.224	C	C	.	.			trans	-78.6	136.4	-175.1	-179.9	0	0	0	0	112.7	V144 S148 T149	V144-S146 WeakPolarHBondContact CG2-O 3.39Å; S146-S148 PolarHBondContact O-N 3.09Å; S146-S148 PolarHBondContact OG-N 2.85Å; S146-S148 VanDerWaalsContact OG-N 3.07Å; S146-S148 PolarHBondContact OG-OG 3.13Å; S146-T149 PolarHBondContact O-N 3.15Å
147	H	97.9	Very high	97.7	Very high	13 Å²	13	40.3 Å²	40.3	6%	0.06	20%	0.199	C	C	.	.	H	α-helix	trans	-65.7	-29.1	170.1	-164.6	63.6	0	0	0	112.3	T149 L150 E151 S166 L168 Y169	H147-T149 PolarHBondContact O-N 3.5Å; H147-L150 WeakPolarHBondContact O-CB 3.05Å; H147-L150 PolarHBondContact O-N 2.93Å; H147-E151 IonicContact CD2-OE1 3.89Å; H147-E151 PolarHBondContact O-N 3.42Å; H147-S166 PolarHBondContact ND1-OG 2.97Å; H147-L168 HydrophobicContact CB-CB 3.87Å; H147-L168 HydrophobicContact CB-CD2 4.34Å; H147-Y169 AromaticContact CE1-CD2 3.66Å; H147-Y169 AromaticContact NE2-CD2 3.77Å; H147-Y169 AromaticContact NE2-CE2 3.99Å
148	S	97.4	Very high	97.8	Very high	64 Å²	64	44.5 Å²	44.5	45%	0.448	23%	0.228	S	C	.	.	H	α-helix	trans	-64	-28.1	179.6	71	0	0	0	0	112.9	S146 L150 E151 E152	S146-S148 PolarHBondContact O-N 3.09Å; S146-S148 PolarHBondContact OG-N 2.85Å; S146-S148 VanDerWaalsContact OG-N 3.07Å; S146-S148 PolarHBondContact OG-OG 3.13Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.4Å; S148-E151 PolarHBondContact O-N 2.94Å; S148-E152 PolarHBondContact O-N 2.74Å
149	T	96.3	Very high	97.8	Very high	28 Å²	28	43.1 Å²	43.1	17%	0.172	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-38.1	173.7	-56.2	0	0	0	0	110.9	V144 S146 H147 E152 L153	V144-T149 HydrophobicContact CB-CG2 4.49Å; V144-T149 HydrophobicContact CG1-CG2 4.01Å; S146-T149 PolarHBondContact O-N 3.15Å; H147-T149 PolarHBondContact O-N 3.5Å; T149-E152 PolarHBondContact O-N 2.89Å; T149-L153 HydrophobicContact CG2-CD1 4.44Å; T149-L153 WeakPolarHBondContact O-CB 3.02Å; T149-L153 VanDerWaalsContact O-CG 3.27Å; T149-L153 WeakPolarHBondContact O-CG 3.29Å; T149-L153 PolarHBondContact O-N 2.91Å
150	L	98.1	Very high	97.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.2	-40	175.6	-67.9	163.2	0	0	0	111.9	L45 A142 V144 H147 S148 E152 L153 D154 I161 N163	L45-L150 HydrophobicContact CD1-CB 4.34Å; L45-L150 HydrophobicContact CD2-CB 4.09Å; A142-L150 HydrophobicContact CB-CD2 3.62Å; V144-L150 HydrophobicContact CG2-CD1 3.93Å; V144-L150 HydrophobicContact CG2-CD2 4.17Å; V144-L150 HydrophobicContact CG2-CG 3.65Å; H147-L150 WeakPolarHBondContact O-CB 3.05Å; H147-L150 PolarHBondContact O-N 2.93Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.4Å; L150-E152 VanDerWaalsContact C-N 3.34Å; L150-L153 PolarHBondContact O-N 3.36Å; L150-D154 WeakPolarHBondContact O-CB 3.36Å; L150-D154 PolarHBondContact O-N 3.39Å; L150-I161 HydrophobicContact CD2-CG2 4.1Å; L150-N163 HydrophobicContact CD1-CB 3.75Å; L150-N163 WeakPolarHBondContact CD1-OD1 3.31Å; L150-N163 HydrophobicContact CD2-CB 4.48Å
151	E	98.4	Very high	97.8	Very high	104 Å²	104	42.2 Å²	42.2	49%	0.486	22%	0.217	S	C	.	.	H	α-helix	trans	-65.1	-38.4	177.2	-63.5	176.2	149.5	0	0	111.6	L45 H147 S148 R155	L45-E151 HydrophobicContact CD1-CG 4.27Å; H147-E151 IonicContact CD2-OE1 3.89Å; H147-E151 PolarHBondContact O-N 3.42Å; S148-E151 PolarHBondContact O-N 2.94Å; E151-R155 WeakPolarHBondContact O-CB 3.48Å; E151-R155 PolarHBondContact O-N 2.74Å
152	E	98.1	Very high	97.8	Very high	59 Å²	59	43.8 Å²	43.8	28%	0.276	23%	0.225	S	C	.	.	H	α-helix	trans	-68.3	-45.1	173.8	-176.9	173.2	175.4	0	0	112	C126 T127 S148 T149 L150 D154 R155 E156	C126-E152 HydrophobicContact CB-CG 4.12Å; C126-E152 WeakPolarHBondContact CB-OE1 3.21Å; T127-E152 PolarHBondContact OG1-OE1 3.18Å; S148-E152 PolarHBondContact O-N 2.74Å; T149-E152 PolarHBondContact O-N 2.89Å; L150-E152 VanDerWaalsContact C-N 3.34Å; E152-D154 VanDerWaalsContact C-N 3.29Å; E152-D154 PolarHBondContact O-N 3.25Å; E152-R155 PolarHBondContact O-N 3.3Å; E152-E156 HydrophobicContact CG-CG 4.49Å; E152-E156 WeakPolarHBondContact O-CG 3.5Å; E152-E156 PolarHBondContact O-N 3.19Å; E152-E156 VanDerWaalsContact O-N 3.09Å
153	L	98.1	Very high	97.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-55.6	-45.7	173.5	-75.4	172.3	0	0	0	111.1	C126 A130 A142 T149 L150 E156 A157 I161	C126-L153 VanDerWaalsContact SG-CD2 3.6Å; A130-L153 HydrophobicContact CB-CD2 4.01Å; A142-L153 HydrophobicContact CB-CD1 3.89Å; T149-L153 HydrophobicContact CG2-CD1 4.44Å; T149-L153 WeakPolarHBondContact O-CB 3.02Å; T149-L153 VanDerWaalsContact O-CG 3.27Å; T149-L153 WeakPolarHBondContact O-CG 3.29Å; T149-L153 PolarHBondContact O-N 2.91Å; L150-L153 PolarHBondContact O-N 3.36Å; L153-E156 PolarHBondContact O-N 3.06Å; L153-A157 WeakPolarHBondContact O-CB 3.5Å; L153-A157 PolarHBondContact O-N 3.35Å; L153-I161 HydrophobicContact CB-CD1 4.27Å; L153-I161 HydrophobicContact CB-CG1 4.26Å; L153-I161 HydrophobicContact CB-CG2 4.31Å
154	D	98.4	Very high	97.8	Very high	61 Å²	61	43.3 Å²	43.3	33%	0.326	22%	0.223	S	C	.	.	H	α-helix	trans	-67.9	-36	-178.8	-171.4	52.6	0	0	0	113	S43 L45 L150 E152 I161	S43-D154 WeakPolarHBondContact CB-OD1 3.26Å; S43-D154 PolarHBondContact OG-OD1 3.29Å; L45-D154 HydrophobicContact CD1-CB 3.86Å; L45-D154 HydrophobicContact CD2-CB 4.43Å; L150-D154 WeakPolarHBondContact O-CB 3.36Å; L150-D154 PolarHBondContact O-N 3.39Å; E152-D154 VanDerWaalsContact C-N 3.29Å; E152-D154 PolarHBondContact O-N 3.25Å; D154-I161 HydrophobicContact CB-CB 4.35Å; D154-I161 HydrophobicContact CB-CG1 4.08Å
155	R	98.4	Very high	97.9	Very high	169 Å²	169	44.1 Å²	44.1	64%	0.638	23%	0.228	S	C	*	.	H	α-helix	trans	-67.8	-38.1	177.1	-178.8	175.8	61.1	-136.2	-7.3	112.6	E151 E152	E151-R155 WeakPolarHBondContact O-CB 3.48Å; E151-R155 PolarHBondContact O-N 2.74Å; E152-R155 PolarHBondContact O-N 3.3Å
156	E	98.4	Very high	98.1	Very high	46 Å²	46	38.4 Å²	38.4	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-96.6	-22.3	-172.3	-61	-61.7	145.3	0	0	113.6	T127 A130 R131 E152 L153	T127-E156 HydrophobicContact CG2-CB 4.4Å; T127-E156 HydrophobicContact CG2-CG 3.91Å; T127-E156 WeakPolarHBondContact CG2-OE2 3.36Å; A130-E156 HydrophobicContact CB-CB 3.78Å; R131-E156 IonicContact CZ-OE2 3.72Å; R131-E156 IonicContact NE-OE2 2.79Å; R131-E156 IonicContact NH2-OE2 3.81Å; R131-E156 PolarHBondContact NH2-OE2 3.22Å; E152-E156 HydrophobicContact CG-CG 4.49Å; E152-E156 WeakPolarHBondContact O-CG 3.5Å; E152-E156 PolarHBondContact O-N 3.19Å; E152-E156 VanDerWaalsContact O-N 3.09Å; L153-E156 PolarHBondContact O-N 3.06Å
157	A	98.2	Very high	98.1	Very high	16 Å²	16	42.8 Å²	42.8	13%	0.132	22%	0.222	C	C	.	.			trans	-80.2	147.7	177.2	0	0	0	0	0	112.1	A130 S134 L153 I159 I161	A130-A157 HydrophobicContact CB-CB 4.3Å; S134-A157 VanDerWaalsContact OG-CA 3.23Å; S134-A157 WeakPolarHBondContact OG-CA 3.46Å; S134-A157 WeakPolarHBondContact OG-CB 3.23Å; L153-A157 WeakPolarHBondContact O-CB 3.5Å; L153-A157 PolarHBondContact O-N 3.35Å; A157-I159 HydrophobicContact CB-CG1 4.34Å; A157-I161 HydrophobicContact CB-CD1 3.8Å; A157-I161 HydrophobicContact CB-CG1 4.32Å
158	S	98.4	Very high	98.1	Very high	108 Å²	108	44.4 Å²	44.4	76%	0.755	23%	0.231	S	C	*	.	S	Bend	trans	-98.5	6.4	170.2	65.3	0	0	0	0	113.2	S134	S134-S158 WeakPolarHBondContact CB-OG 3.33Å; S134-S158 PolarHBondContact OG-N 3.05Å
159	I	98.7	Very high	98.1	Very high	22 Å²	22	42.2 Å²	42.2	11%	0.113	21%	0.213	C	C	.	.	S	Bend	trans	-121.5	154.6	179	59.4	171.9	0	0	0	110.9	C137 V140 A157	C137-I159 HydrophobicContact CB-CD1 4.24Å; C137-I159 WeakPolarHBondContact O-CD1 3.06Å; V140-I159 HydrophobicContact CG2-CD1 3.78Å; V140-I159 HydrophobicContact CG2-CG1 4.34Å; A157-I159 HydrophobicContact CB-CG1 4.34Å
160	P	98.7	Very high	98.2	Very high	26 Å²	26	41.4 Å²	41.4	17%	0.169	21%	0.207	C	C	.	.			trans	-60.4	137.8	-177.8	-25.6	36.1	0	0	0	113.9	D138 V140	D138-P160 WeakPolarHBondContact O-CD 3.42Å; V140-P160 PolarHBondContact N-O 2.83Å
161	I	98.8	Very high	98.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.6	174	-51.6	-56.3	0	0	0	110	S43 C44 L45 V140 L150 L153 D154 A157	S43-I161 CarbonylContact C-O 3.57Å; S43-I161 VanDerWaalsContact CA-O 3.29Å; S43-I161 WeakPolarHBondContact CA-O 3.35Å; S43-I161 WeakPolarHBondContact CB-O 3.4Å; S43-I161 PolarHBondContact OG-N 3.12Å; C44-I161 PolarHBondContact N-O 3.31Å; L45-I161 HydrophobicContact CD2-CB 4Å; L45-I161 HydrophobicContact CD2-CG2 3.79Å; V140-I161 HydrophobicContact CB-CD1 3.62Å; V140-I161 HydrophobicContact CG1-CD1 4.37Å; V140-I161 HydrophobicContact CG2-CD1 3.82Å; V140-I161 CarbonylContact O-C 3.41Å; V140-I161 WeakPolarHBondContact O-CA 3.23Å; L150-I161 HydrophobicContact CD2-CG2 4.1Å; L153-I161 HydrophobicContact CB-CD1 4.27Å; L153-I161 HydrophobicContact CB-CG1 4.26Å; L153-I161 HydrophobicContact CB-CG2 4.31Å; D154-I161 HydrophobicContact CB-CB 4.35Å; D154-I161 HydrophobicContact CB-CG1 4.08Å; A157-I161 HydrophobicContact CB-CD1 3.8Å; A157-I161 HydrophobicContact CB-CG1 4.32Å
162	I	98.9	Very high	98.3	Very high	40 Å²	40	38.6 Å²	38.6	21%	0.205	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.2	179.4	-51.6	-59.3	0	0	0	109.3	C44 I139 V140 L141 A142 G164 I172	C44-I162 HydrophobicContact CB-CD1 3.84Å; I139-I162 HydrophobicContact CG2-CG1 3.91Å; V140-I162 PolarHBondContact O-N 3.1Å; L141-I162 WeakPolarHBondContact CA-O 3.4Å; L141-I162 HydrophobicContact CB-CB 4.32Å; L141-I162 HydrophobicContact CD1-CB 4.48Å; L141-I162 HydrophobicContact CD1-CG2 4.11Å; L141-I162 HydrophobicContact CG-CB 4.48Å; A142-I162 PolarHBondContact N-O 3.34Å; I162-G164 PolarHBondContact O-N 2.79Å; I162-G164 VanDerWaalsContact O-N 3.15Å; I162-I172 HydrophobicContact CG2-CG2 4.14Å
163	N	98.8	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	105.3	174.9	-179.6	1.4	0	0	0	110.6	C44 L45 L150 L165 S166 Y169 P171	C44-N163 WeakPolarHBondContact O-CB 3.25Å; C44-N163 PolarHBondContact O-N 3.07Å; L45-N163 VanDerWaalsContact O-CB 3.3Å; L45-N163 WeakPolarHBondContact O-CB 3.41Å; L45-N163 PolarHBondContact O-ND2 2.85Å; L150-N163 HydrophobicContact CD1-CB 3.75Å; L150-N163 WeakPolarHBondContact CD1-OD1 3.31Å; L150-N163 HydrophobicContact CD2-CB 4.48Å; N163-L165 WeakPolarHBondContact OD1-CA 3.39Å; N163-L165 PolarHBondContact OD1-N 3.25Å; N163-S166 PolarHBondContact OD1-N 2.68Å; N163-Y169 PolarHBondContact ND2-O 2.97Å; N163-P171 HydrophobicContact CB-CG 3.92Å
164	G	98.3	Very high	98.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-21.9	174.6	0	0	0	0	0	114.2	A142 I162 H170	A142-G164 PolarHBondContact O-N 3.22Å; I162-G164 PolarHBondContact O-N 2.79Å; I162-G164 VanDerWaalsContact O-N 3.15Å; G164-H170 PolarHBondContact O-CE1 3.48Å; G164-H170 PolarHBondContact O-ND1 2.83Å
165	L	97.9	Very high	98.3	Very high	17 Å²	17	35.7 Å²	35.7	9%	0.089	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.5	136.9	167.3	169.1	153.8	0	0	0	107.3	K90 R143 V144 N163	K90-L165 HydrophobicContact CD-CD2 4.42Å; R143-L165 WeakPolarHBondContact CA-O 3.45Å; R143-L165 HydrophobicContact CG-CB 4.09Å; R143-L165 HydrophobicContact CG-CD2 4.37Å; V144-L165 PolarHBondContact N-O 2.81Å; N163-L165 WeakPolarHBondContact OD1-CA 3.39Å; N163-L165 PolarHBondContact OD1-N 3.25Å
166	S	97.6	Very high	98.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.169	C	C	.	.			trans	-127.4	175.7	164.6	72.1	0	0	0	0	110.6	V144 H147 N163 L168 Y169 N201	V144-S166 WeakPolarHBondContact O-CA 3.32Å; H147-S166 PolarHBondContact ND1-OG 2.97Å; N163-S166 PolarHBondContact OD1-N 2.68Å; S166-L168 PolarHBondContact O-N 2.96Å; S166-L168 PolarHBondContact OG-N 3.23Å; S166-Y169 PolarHBondContact N-O 2.98Å; S166-Y169 PolarHBondContact OG-N 2.91Å; S166-N201 PolarHBondContact O-ND2 3.35Å
167	E	95.6	Very high	98.4	Very high	123 Å²	123	28.3 Å²	28.3	58%	0.575	16%	0.162	S	C	*	.	S	Bend	trans	-59.9	-25.1	172.8	68.6	-164.7	-174.6	0	0	113.5	Y145	Y145-E167 VanDerWaalsContact O-CB 3.27Å; Y145-E167 WeakPolarHBondContact O-CB 3.17Å; Y145-E167 VanDerWaalsContact O-CG 3.29Å; Y145-E167 WeakPolarHBondContact O-CG 3.5Å; Y145-E167 PolarHBondContact O-N 2.87Å
168	L	97.8	Very high	98.4	Very high	47 Å²	47	27.6 Å²	27.6	25%	0.246	16%	0.156	C	C	.	.	S	Bend	trans	-97.5	-38.4	-175.5	-167.6	61.5	0	0	0	113.6	H147 S166 N201 H204 V231	H147-L168 HydrophobicContact CB-CB 3.87Å; H147-L168 HydrophobicContact CB-CD2 4.34Å; S166-L168 PolarHBondContact O-N 2.96Å; S166-L168 PolarHBondContact OG-N 3.23Å; L168-N201 WeakPolarHBondContact O-CA 3.44Å; L168-H204 WeakPolarHBondContact O-CB 3.13Å; L168-H204 PolarHBondContact O-ND1 3.07Å; L168-V231 HydrophobicContact CD1-CG2 4.31Å
169	Y	98.7	Very high	98.4	Very high	19 Å²	19	23.4 Å²	23.4	8%	0.075	13%	0.125	C	C	.	.			trans	-143.8	156.2	-175.4	-57.6	-68.6	0	0	0	113.5	T46 H147 N163 S166 H204 M208 V231	T46-Y169 HydrophobicContact CG2-CD2 4.45Å; T46-Y169 HydrophobicContact CG2-CE2 4.32Å; H147-Y169 AromaticContact CE1-CD2 3.66Å; H147-Y169 AromaticContact NE2-CD2 3.77Å; H147-Y169 AromaticContact NE2-CE2 3.99Å; N163-Y169 PolarHBondContact ND2-O 2.97Å; S166-Y169 PolarHBondContact N-O 2.98Å; S166-Y169 PolarHBondContact OG-N 2.91Å; Y169-H204 HydrophobicContact CD1-CB 3.82Å; Y169-H204 HydrophobicContact CE1-CB 3.88Å; Y169-M208 HydrophobicContact CD1-CG 4.44Å; Y169-M208 HydrophobicContact CE1-CG 3.82Å; Y169-V231 HydrophobicContact CE1-CG2 4.03Å
170	H	98.4	Very high	98.4	Very high	10 Å²	10	23.2 Å²	23.2	5%	0.046	13%	0.125	C	C	.	.			trans	-139.4	70.1	171.4	-165.9	6.5	0	0	0	110.7	G164 I172 Q173 S205	G164-H170 PolarHBondContact O-CE1 3.48Å; G164-H170 PolarHBondContact O-ND1 2.83Å; H170-I172 PolarHBondContact O-N 3.3Å; H170-Q173 HydrophobicContact CB-CB 4.35Å; H170-Q173 PolarHBondContact O-N 3.03Å; H170-S205 PolarHBondContact N-OG 3.23Å
171	P	98.7	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-39	-169.2	24.3	-34.4	0	0	0	113.4	L47 N163 Q173 I174 L175	L47-P171 HydrophobicContact CD1-CB 4.26Å; L47-P171 HydrophobicContact CD2-CB 4.37Å; L47-P171 HydrophobicContact CG-CB 3.72Å; N163-P171 HydrophobicContact CB-CG 3.92Å; P171-Q173 VanDerWaalsContact C-N 3.29Å; P171-Q173 PolarHBondContact O-N 3.31Å; P171-I174 PolarHBondContact O-N 3.03Å; P171-L175 PolarHBondContact O-N 2.77Å
172	I	98.6	Very high	98.4	Very high	46 Å²	46	23.8 Å²	23.8	24%	0.236	13%	0.125	C	C	.	.	H	α-helix	trans	-68	-26.5	-177.6	62.6	172.6	0	0	0	113.5	T95 L141 I162 H170 A176	T95-I172 HydrophobicContact CG2-CD1 3.88Å; L141-I172 HydrophobicContact CD1-CD1 4.46Å; I162-I172 HydrophobicContact CG2-CG2 4.14Å; H170-I172 PolarHBondContact O-N 3.3Å; I172-A176 PolarHBondContact O-N 3.19Å
173	Q	98.7	Very high	98.4	Very high	33 Å²	33	25.2 Å²	25.2	15%	0.154	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-45.1	173.5	178.2	62	54.5	0	0	110.4	H170 P171 L175 A176 D177 V202 C305	H170-Q173 HydrophobicContact CB-CB 4.35Å; H170-Q173 PolarHBondContact O-N 3.03Å; P171-Q173 VanDerWaalsContact C-N 3.29Å; P171-Q173 PolarHBondContact O-N 3.31Å; Q173-L175 VanDerWaalsContact C-N 3.3Å; Q173-L175 PolarHBondContact O-N 2.74Å; Q173-A176 WeakPolarHBondContact O-CA 3.27Å; Q173-A176 WeakPolarHBondContact O-CB 3.27Å; Q173-A176 PolarHBondContact O-N 3.13Å; Q173-D177 PolarHBondContact NE2-OD1 2.75Å; Q173-D177 VanDerWaalsContact O-CG 3.28Å; Q173-D177 PolarHBondContact O-N 2.86Å; Q173-V202 HydrophobicContact CG-CG1 4.49Å; Q173-C305 VanDerWaalsContact CD-CB 3.47Å; Q173-C305 HydrophobicContact CG-CB 3.81Å
174	I	98.6	Very high	98.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.6	-30.6	-177.4	-60.8	-49	0	0	0	112.5	L47 P171 A176 D177 F178 V202 F206 T209	L47-I174 HydrophobicContact CD1-CB 4.17Å; L47-I174 HydrophobicContact CD1-CG2 4.14Å; P171-I174 PolarHBondContact O-N 3.03Å; I174-A176 VanDerWaalsContact C-N 3.34Å; I174-D177 PolarHBondContact O-N 2.9Å; I174-F178 HydrophobicContact CG2-CD2 3.4Å; I174-F178 HydrophobicContact CG2-CE2 3.29Å; I174-F178 HydrophobicContact CG2-CZ 4.47Å; I174-F178 VanDerWaalsContact O-CD2 3.29Å; I174-F178 WeakPolarHBondContact O-CD2 3.32Å; I174-F178 PolarHBondContact O-N 3.32Å; I174-V202 HydrophobicContact CD1-CG1 4.01Å; I174-F206 HydrophobicContact CD1-CB 4.49Å; I174-F206 HydrophobicContact CD1-CD1 4.13Å; I174-F206 HydrophobicContact CD1-CD2 3.31Å; I174-F206 HydrophobicContact CD1-CE1 4.14Å; I174-F206 HydrophobicContact CD1-CE2 3.32Å; I174-F206 HydrophobicContact CD1-CG 3.72Å; I174-F206 HydrophobicContact CD1-CZ 3.75Å; I174-T209 HydrophobicContact CG2-CG2 4.01Å
175	L	98.8	Very high	98.4	Very high	26 Å²	26	32 Å²	32	14%	0.136	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-41.8	170.2	-66.3	176.3	0	0	0	111.5	L47 I55 L58 L59 P171 Q173 L179	L47-L175 HydrophobicContact CD1-CD2 4.17Å; L47-L175 HydrophobicContact CD1-CG 4.27Å; L47-L175 HydrophobicContact CD2-CD2 4.15Å; L47-L175 HydrophobicContact CD2-CG 4.45Å; I55-L175 HydrophobicContact CG2-CD2 4.17Å; L58-L175 HydrophobicContact CB-CD2 4.27Å; L58-L175 HydrophobicContact CD1-CD1 4.04Å; L58-L175 HydrophobicContact CD1-CD2 4.16Å; L59-L175 HydrophobicContact CD2-CD2 4.34Å; L59-L175 VanDerWaalsContact CD2-O 3.3Å; L59-L175 WeakPolarHBondContact CD2-O 3.33Å; P171-L175 PolarHBondContact O-N 2.77Å; Q173-L175 VanDerWaalsContact C-N 3.3Å; Q173-L175 PolarHBondContact O-N 2.74Å; L175-L179 WeakPolarHBondContact O-CB 3.17Å; L175-L179 PolarHBondContact O-N 3.35Å
176	A	98.8	Very high	98.3	Very high	48 Å²	48	33.4 Å²	33.4	40%	0.397	18%	0.179	S	C	.	.	H	α-helix	trans	-64.4	-46.7	175	0	0	0	0	0	111	I172 Q173 I174 F178 L179 T180	I172-A176 PolarHBondContact O-N 3.19Å; Q173-A176 WeakPolarHBondContact O-CA 3.27Å; Q173-A176 WeakPolarHBondContact O-CB 3.27Å; Q173-A176 PolarHBondContact O-N 3.13Å; I174-A176 VanDerWaalsContact C-N 3.34Å; A176-F178 PolarHBondContact O-N 3.33Å; A176-L179 PolarHBondContact O-N 2.81Å; A176-T180 PolarHBondContact O-N 2.91Å; A176-T180 PolarHBondContact O-OG1 3.21Å
177	D	98.8	Very high	98.2	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.064	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-49.1	180	-63.7	-16.6	0	0	0	111.4	Q173 I174 L179 T180 L181 F206 L303	Q173-D177 PolarHBondContact NE2-OD1 2.75Å; Q173-D177 VanDerWaalsContact O-CG 3.28Å; Q173-D177 PolarHBondContact O-N 2.86Å; I174-D177 PolarHBondContact O-N 2.9Å; D177-L179 PolarHBondContact O-N 3.47Å; D177-T180 PolarHBondContact O-N 3.4Å; D177-L181 VanDerWaalsContact O-CG 3.3Å; D177-L181 WeakPolarHBondContact O-CG 3.49Å; D177-L181 PolarHBondContact O-N 2.89Å; D177-F206 HydrophobicContact CB-CE1 4.49Å; D177-F206 HydrophobicContact CB-CZ 4Å; D177-F206 WeakPolarHBondContact OD2-CZ 3.13Å; D177-L303 HydrophobicContact CB-CD1 4.1Å
178	F	98.8	Very high	98.3	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-71.2	-29.2	179.8	-76.6	-54.4	0	0	0	113.7	L59 I174 A176 L181 Q182 L188 F206 T209 A210 L213 V215	L59-F178 HydrophobicContact CD1-CB 4.16Å; L59-F178 HydrophobicContact CD2-CB 4.32Å; I174-F178 HydrophobicContact CG2-CD2 3.4Å; I174-F178 HydrophobicContact CG2-CE2 3.29Å; I174-F178 HydrophobicContact CG2-CZ 4.47Å; I174-F178 VanDerWaalsContact O-CD2 3.29Å; I174-F178 WeakPolarHBondContact O-CD2 3.32Å; I174-F178 PolarHBondContact O-N 3.32Å; A176-F178 PolarHBondContact O-N 3.33Å; F178-L181 HydrophobicContact CD1-CD1 4.11Å; F178-L181 HydrophobicContact CE1-CD1 4.34Å; F178-Q182 VanDerWaalsContact O-CB 3.23Å; F178-Q182 WeakPolarHBondContact O-CB 3.34Å; F178-Q182 PolarHBondContact O-N 3.11Å; F178-L188 HydrophobicContact CB-CD1 3.91Å; F178-L188 HydrophobicContact CD1-CD1 4Å; F178-L188 HydrophobicContact CD1-CD2 4.01Å; F178-L188 HydrophobicContact CG-CD1 4.22Å; F178-F206 HydrophobicContact CE1-CE1 4.3Å; F178-F206 HydrophobicContact CE2-CD1 4.11Å; F178-F206 HydrophobicContact CE2-CE1 4.24Å; F178-F206 AromaticContact CZ-CD1 3.77Å; F178-F206 HydrophobicContact CZ-CD1 3.77Å; F178-F206 AromaticContact CZ-CE1 3.88Å; F178-F206 HydrophobicContact CZ-CE1 3.88Å; F178-T209 HydrophobicContact CD2-CG2 3.84Å; F178-T209 HydrophobicContact CE2-CG2 3.58Å; F178-A210 HydrophobicContact CZ-CB 4.11Å; F178-L213 HydrophobicContact CB-CD1 4.02Å; F178-L213 HydrophobicContact CD1-CD1 4.04Å; F178-L213 HydrophobicContact CD2-CD1 3.53Å; F178-L213 HydrophobicContact CE1-CD1 4.44Å; F178-L213 HydrophobicContact CE2-CD1 3.95Å; F178-L213 HydrophobicContact CG-CD1 3.59Å; F178-L213 HydrophobicContact CZ-CD1 4.39Å; F178-V215 HydrophobicContact CE1-CB 4.41Å; F178-V215 HydrophobicContact CE1-CG1 4.31Å; F178-V215 HydrophobicContact CE1-CG2 3.92Å
179	L	98.8	Very high	98.3	Very high	21 Å²	21	33 Å²	33	11%	0.11	19%	0.192	C	C	.	.	H	α-helix	trans	-63.5	-47.9	169.8	179	63.3	0	0	0	110.6	L59 A63 L175 A176 D177 L181 Q182 E183	L59-L179 HydrophobicContact CD2-CB 4.09Å; A63-L179 HydrophobicContact CB-CD1 4.08Å; L175-L179 WeakPolarHBondContact O-CB 3.17Å; L175-L179 PolarHBondContact O-N 3.35Å; A176-L179 PolarHBondContact O-N 2.81Å; D177-L179 PolarHBondContact O-N 3.47Å; L179-L181 VanDerWaalsContact C-N 3.34Å; L179-L181 PolarHBondContact O-N 3.28Å; L179-Q182 PolarHBondContact O-N 3.4Å; L179-E183 HydrophobicContact CD1-CG 4.39Å; L179-E183 WeakPolarHBondContact O-CG 3.44Å; L179-E183 PolarHBondContact O-N 3.01Å
180	T	98.8	Very high	98.3	Very high	17 Å²	17	33.9 Å²	33.9	10%	0.104	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-43.9	178.6	-63.8	0	0	0	0	111.6	A176 D177 E183 H184 L303 L324	A176-T180 PolarHBondContact O-N 2.91Å; A176-T180 PolarHBondContact O-OG1 3.21Å; D177-T180 PolarHBondContact O-N 3.4Å; T180-E183 PolarHBondContact O-N 2.77Å; T180-H184 WeakPolarHBondContact O-CB 3.48Å; T180-H184 PolarHBondContact O-N 2.92Å; T180-L303 HydrophobicContact CG2-CD2 4.38Å; T180-L324 HydrophobicContact CG2-CB 3.89Å; T180-L324 HydrophobicContact CG2-CD1 4.16Å
181	L	98.8	Very high	98.3	Very high	1 Å²	1	34 Å²	34	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-39.7	175.5	-67.7	179.3	0	0	0	112.3	D177 F178 L179 H184 Y185 L188 V193 V261 L303 L324	D177-L181 VanDerWaalsContact O-CG 3.3Å; D177-L181 WeakPolarHBondContact O-CG 3.49Å; D177-L181 PolarHBondContact O-N 2.89Å; F178-L181 HydrophobicContact CD1-CD1 4.11Å; F178-L181 HydrophobicContact CE1-CD1 4.34Å; L179-L181 VanDerWaalsContact C-N 3.34Å; L179-L181 PolarHBondContact O-N 3.28Å; L181-H184 PolarHBondContact O-N 3.34Å; L181-Y185 HydrophobicContact CD2-CD2 4.23Å; L181-Y185 HydrophobicContact CD2-CE2 3.94Å; L181-Y185 WeakPolarHBondContact O-CB 3.44Å; L181-Y185 WeakPolarHBondContact O-CD2 3.5Å; L181-Y185 PolarHBondContact O-N 3.41Å; L181-L188 HydrophobicContact CB-CD2 3.61Å; L181-V193 HydrophobicContact CD1-CG2 4.23Å; L181-V261 HydrophobicContact CD1-CG1 4.4Å; L181-V261 HydrophobicContact CD1-CG2 3.99Å; L181-V261 HydrophobicContact CD2-CB 4.35Å; L181-V261 HydrophobicContact CD2-CG1 3.87Å; L181-V261 HydrophobicContact CD2-CG2 3.5Å; L181-V261 HydrophobicContact CG-CG2 4.38Å; L181-L303 HydrophobicContact CD1-CD1 4.03Å; L181-L303 HydrophobicContact CD2-CD1 3.95Å; L181-L303 HydrophobicContact CD2-CG 4.49Å; L181-L303 HydrophobicContact CG-CD1 3.95Å; L181-L324 HydrophobicContact CD2-CD1 4.45Å
182	Q	98.4	Very high	98.3	Very high	39 Å²	39	34.8 Å²	34.8	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-41.3	176.6	-173.4	177.8	-82.1	0	0	111.3	F178 L179 H184 G186 L188	F178-Q182 VanDerWaalsContact O-CB 3.23Å; F178-Q182 WeakPolarHBondContact O-CB 3.34Å; F178-Q182 PolarHBondContact O-N 3.11Å; L179-Q182 PolarHBondContact O-N 3.4Å; Q182-H184 VanDerWaalsContact C-N 3.34Å; Q182-G186 WeakPolarHBondContact O-CA 3.4Å; Q182-G186 PolarHBondContact O-N 3.21Å; Q182-L188 HydrophobicContact CB-CD1 4.37Å; Q182-L188 HydrophobicContact CB-CD2 4.05Å; Q182-L188 HydrophobicContact CB-CG 4.03Å
183	E	98.3	Very high	98.4	Very high	70 Å²	70	32.6 Å²	32.6	33%	0.327	20%	0.203	S	C	.	.	H	α-helix	trans	-65	-37.6	175.8	-72.5	-179.4	160.4	0	0	112.2	K66 L179 T180	K66-E183 VanDerWaalsContact CD-OE1 3.3Å; K66-E183 WeakPolarHBondContact CD-OE1 3.37Å; K66-E183 WeakPolarHBondContact CE-OE1 3.37Å; K66-E183 IonicContact NZ-OE1 3.6Å; K66-E183 PolarHBondContact NZ-OE1 3.48Å; K66-E183 IonicContact NZ-OE2 2.8Å; K66-E183 PolarHBondContact NZ-OE2 3.4Å; L179-E183 HydrophobicContact CD1-CG 4.39Å; L179-E183 WeakPolarHBondContact O-CG 3.44Å; L179-E183 PolarHBondContact O-N 3.01Å; T180-E183 PolarHBondContact O-N 2.77Å
184	H	98.6	Very high	98.4	Very high	95 Å²	95	31 Å²	31	44%	0.44	20%	0.195	S	C	.	.	H	α-helix	trans	-75.4	-49.3	-179.7	-171.8	89.4	0	0	0	113.1	T180 L181 Q182 T301 L324	T180-H184 WeakPolarHBondContact O-CB 3.48Å; T180-H184 PolarHBondContact O-N 2.92Å; L181-H184 PolarHBondContact O-N 3.34Å; Q182-H184 VanDerWaalsContact C-N 3.34Å; H184-T301 VanDerWaalsContact NE2-CG2 3.34Å; H184-T301 WeakPolarHBondContact NE2-CG2 3.5Å; H184-L324 HydrophobicContact CB-CD1 3.84Å
185	Y	98.1	Very high	98.4	Very high	48 Å²	48	31.1 Å²	31.1	19%	0.188	20%	0.195	C	C	.	.	H	α-helix	trans	-93.6	-13.6	-173.4	-70.7	-80.6	0	0	0	113.7	L181 S187 L191 N260 V261 N299 T301	L181-Y185 HydrophobicContact CD2-CD2 4.23Å; L181-Y185 HydrophobicContact CD2-CE2 3.94Å; L181-Y185 WeakPolarHBondContact O-CB 3.44Å; L181-Y185 WeakPolarHBondContact O-CD2 3.5Å; L181-Y185 PolarHBondContact O-N 3.41Å; Y185-S187 PolarHBondContact O-N 3.05Å; Y185-S187 VanDerWaalsContact O-N 3.14Å; Y185-L191 HydrophobicContact CD1-CD2 3.91Å; Y185-L191 HydrophobicContact CD2-CD1 3.82Å; Y185-L191 HydrophobicContact CD2-CD2 4.35Å; Y185-L191 HydrophobicContact CE1-CD2 4.34Å; Y185-L191 HydrophobicContact CE2-CD1 4.47Å; Y185-L191 HydrophobicContact CG-CD1 3.99Å; Y185-L191 HydrophobicContact CG-CD2 3.91Å; Y185-N260 PolarHBondContact OH-O 3Å; Y185-V261 HydrophobicContact CE2-CG2 4.04Å; Y185-N299 PolarHBondContact OH-O 3.14Å; Y185-T301 HydrophobicContact CE2-CG2 4.19Å; Y185-T301 WeakPolarHBondContact CE2-OG1 3.41Å; Y185-T301 WeakPolarHBondContact OH-CG2 3.39Å; Y185-T301 PolarHBondContact OH-N 3.05Å; Y185-T301 PolarHBondContact OH-OG1 3.45Å
186	G	96.6	Very high	98.4	Very high	45 Å²	45	29.9 Å²	29.9	46%	0.464	19%	0.189	S	C	.	.	S	Bend	trans	77.2	-20.5	-175.7	0	0	0	0	0	114.8	Q182	Q182-G186 WeakPolarHBondContact O-CA 3.4Å; Q182-G186 PolarHBondContact O-N 3.21Å
187	S	95.9	Very high	98.4	Very high	65 Å²	65	27.6 Å²	27.6	46%	0.455	17%	0.17	S	C	.	.			trans	-151	146.9	173.5	179.2	0	0	0	0	110.1	Y185 S189	Y185-S187 PolarHBondContact O-N 3.05Å; Y185-S187 VanDerWaalsContact O-N 3.14Å; S187-S189 PolarHBondContact OG-N 2.86Å
188	L	98.3	Very high	98.3	Very high	10 Å²	10	27.6 Å²	27.6	5%	0.052	17%	0.17	C	C	.	.			trans	-89.8	-31.8	175.4	-62.9	178.1	0	0	0	112.8	L59 F178 L181 Q182 G190 L191 L213 V215	L59-L188 HydrophobicContact CD1-CD1 4.05Å; F178-L188 HydrophobicContact CB-CD1 3.91Å; F178-L188 HydrophobicContact CD1-CD1 4Å; F178-L188 HydrophobicContact CD1-CD2 4.01Å; F178-L188 HydrophobicContact CG-CD1 4.22Å; L181-L188 HydrophobicContact CB-CD2 3.61Å; Q182-L188 HydrophobicContact CB-CD1 4.37Å; Q182-L188 HydrophobicContact CB-CD2 4.05Å; Q182-L188 HydrophobicContact CB-CG 4.03Å; L188-G190 PolarHBondContact O-N 2.86Å; L188-L191 HydrophobicContact CD2-CD1 4.15Å; L188-L191 WeakPolarHBondContact O-CB 3.19Å; L188-L191 VanDerWaalsContact O-CG 3.32Å; L188-L191 WeakPolarHBondContact O-CG 3.33Å; L188-L191 PolarHBondContact O-N 3.42Å; L188-L191 VanDerWaalsContact O-N 3.1Å; L188-L213 HydrophobicContact CD1-CB 4.31Å; L188-L213 HydrophobicContact CD1-CD1 3.8Å; L188-L213 HydrophobicContact CD1-CG 4.49Å; L188-V215 HydrophobicContact CB-CG2 3.96Å; L188-V215 VanDerWaalsContact O-CG2 3.32Å; L188-V215 WeakPolarHBondContact O-CG2 3.34Å
189	S	97.8	Very high	98.3	Very high	86 Å²	86	28.1 Å²	28.1	60%	0.601	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	130.1	-174	-176.4	0	0	0	0	111.1	S187 L191	S187-S189 PolarHBondContact OG-N 2.86Å; S189-L191 VanDerWaalsContact C-N 3.31Å
190	G	98.1	Very high	98.2	Very high	39 Å²	39	27.7 Å²	27.7	40%	0.402	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	-2.6	-178.2	0	0	0	0	0	114.8	L188 G214	L188-G190 PolarHBondContact O-N 2.86Å; G190-G214 PolarHBondContact N-O 3.27Å
191	L	98.8	Very high	98.1	Very high	13 Å²	13	27.8 Å²	27.8	7%	0.068	17%	0.174	C	C	.	.			trans	-67.9	149	170.3	-64.5	-176.9	0	0	0	110.6	Y185 L188 S189 V215 H216 N260	Y185-L191 HydrophobicContact CD1-CD2 3.91Å; Y185-L191 HydrophobicContact CD2-CD1 3.82Å; Y185-L191 HydrophobicContact CD2-CD2 4.35Å; Y185-L191 HydrophobicContact CE1-CD2 4.34Å; Y185-L191 HydrophobicContact CE2-CD1 4.47Å; Y185-L191 HydrophobicContact CG-CD1 3.99Å; Y185-L191 HydrophobicContact CG-CD2 3.91Å; L188-L191 HydrophobicContact CD2-CD1 4.15Å; L188-L191 WeakPolarHBondContact O-CB 3.19Å; L188-L191 VanDerWaalsContact O-CG 3.32Å; L188-L191 WeakPolarHBondContact O-CG 3.33Å; L188-L191 PolarHBondContact O-N 3.42Å; L188-L191 VanDerWaalsContact O-N 3.1Å; S189-L191 VanDerWaalsContact C-N 3.31Å; L191-V215 HydrophobicContact CB-CG1 4.47Å; L191-V215 WeakPolarHBondContact O-CA 3.5Å; L191-H216 PolarHBondContact O-CD2 2.76Å; L191-H216 PolarHBondContact O-N 2.75Å; L191-N260 HydrophobicContact CB-CB 4.48Å; L191-N260 HydrophobicContact CD2-CB 4.02Å
192	T	98.9	Very high	98.1	Very high	16 Å²	16	28 Å²	28	10%	0.098	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117	168.4	-54	0	0	0	0	109.6	H216 K218 N260 V261	T192-H216 WeakPolarHBondContact CA-O 3.25Å; T192-H216 HydrophobicContact CG2-CB 4.24Å; T192-K218 HydrophobicContact CG2-CD 4Å; T192-K218 HydrophobicContact CG2-CG 4Å; T192-N260 PolarHBondContact N-OD1 3.45Å; T192-N260 WeakPolarHBondContact O-CA 3.47Å; T192-N260 WeakPolarHBondContact O-CB 3.33Å; T192-N260 PolarHBondContact O-N 3.18Å; T192-V261 PolarHBondContact O-N 3.05Å; T192-V261 VanDerWaalsContact O-N 3.07Å
193	V	98.9	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.1	171.3	174.6	0	0	0	0	108.4	L181 F206 V215 H216 L217 K218 V261 V263	L181-V193 HydrophobicContact CD1-CG2 4.23Å; V193-F206 HydrophobicContact CG1-CD1 4.38Å; V193-F206 HydrophobicContact CG1-CE1 4.19Å; V193-V215 HydrophobicContact CB-CG1 4.19Å; V193-V215 HydrophobicContact CG2-CG1 3.58Å; V193-H216 PolarHBondContact N-O 2.9Å; V193-L217 HydrophobicContact CB-CD1 4.02Å; V193-L217 HydrophobicContact CG1-CD1 3.88Å; V193-L217 WeakPolarHBondContact O-CA 3.4Å; V193-K218 PolarHBondContact O-N 3.37Å; V193-V261 HydrophobicContact CG2-CB 4.1Å; V193-V261 HydrophobicContact CG2-CG2 4.2Å; V193-V263 HydrophobicContact CG1-CG2 3.65Å
194	S	98.9	Very high	98.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112.3	174	-179.9	0	0	0	0	109.7	K218 A255 A256 S259 V261 V263	S194-K218 CarbonylContact C-O 3.59Å; S194-K218 VanDerWaalsContact CA-O 3.31Å; S194-K218 WeakPolarHBondContact CA-O 3.41Å; S194-A255 WeakPolarHBondContact CB-O 3.04Å; S194-A255 WeakPolarHBondContact OG-CB 3.27Å; S194-A255 PolarHBondContact OG-O 3.42Å; S194-A256 PolarHBondContact OG-N 3.46Å; S194-S259 WeakPolarHBondContact CB-OG 3.29Å; S194-V261 PolarHBondContact N-O 2.95Å; S194-V263 PolarHBondContact O-N 3Å
195	W	98.9	Very high	98.2	Very high	1 Å²	1	18.7 Å²	18.7	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.9	167.1	178.8	-91.1	0	0	0	110.2	D198 N200 V202 L203 F206 K218 V219 A220 V263 D265	W195-D198 WeakPolarHBondContact CZ2-O 3.48Å; W195-D198 PolarHBondContact NE1-O 3.39Å; W195-N200 WeakPolarHBondContact CZ2-OD1 3.25Å; W195-V202 HydrophobicContact CH2-CB 3.82Å; W195-V202 HydrophobicContact CH2-CG1 3.97Å; W195-V202 HydrophobicContact CZ3-CB 4.08Å; W195-V202 HydrophobicContact CZ3-CG1 3.7Å; W195-L203 HydrophobicContact CB-CD1 3.89Å; W195-L203 HydrophobicContact CD2-CB 3.95Å; W195-L203 HydrophobicContact CD2-CD1 4.08Å; W195-L203 HydrophobicContact CD2-CG 4.45Å; W195-L203 HydrophobicContact CE3-CB 4.42Å; W195-L203 HydrophobicContact CG-CB 4.34Å; W195-L203 HydrophobicContact CG-CD1 3.68Å; W195-L203 HydrophobicContact CG-CD2 4.42Å; W195-L203 HydrophobicContact CG-CG 4.34Å; W195-L203 HydrophobicContact CH2-CB 4.39Å; W195-L203 HydrophobicContact CZ2-CB 3.92Å; W195-F206 HydrophobicContact CE3-CD2 4.32Å; W195-F206 HydrophobicContact CZ3-CD2 4.45Å; W195-K218 PolarHBondContact N-O 2.91Å; W195-V219 HydrophobicContact CB-CG1 4.5Å; W195-V219 HydrophobicContact CB-CG2 4.45Å; W195-V219 CarbonylContact O-C 3.59Å; W195-V219 WeakPolarHBondContact O-CA 3.29Å; W195-A220 PolarHBondContact O-N 3.29Å; W195-V263 WeakPolarHBondContact CA-O 3.31Å; W195-V263 HydrophobicContact CE3-CB 4.12Å; W195-V263 HydrophobicContact CE3-CG1 3.71Å; W195-V263 HydrophobicContact CZ3-CG1 3.8Å; W195-D265 HydrophobicContact CH2-CB 3.56Å; W195-D265 HydrophobicContact CZ2-CB 4.16Å; W195-D265 HydrophobicContact CZ3-CB 4.4Å
196	I	98.9	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	110.7	175.1	-56.9	171.1	0	0	0	107.2	A220 P252 A255 A256 V263 T264 Y286 I288 T292	I196-A220 HydrophobicContact CG1-CB 4.34Å; I196-A220 HydrophobicContact CG2-CB 4.48Å; I196-P252 HydrophobicContact CD1-CB 4.37Å; I196-P252 HydrophobicContact CG2-CB 3.77Å; I196-P252 HydrophobicContact CG2-CG 4.11Å; I196-A255 HydrophobicContact CG1-CB 4.41Å; I196-A256 HydrophobicContact CD1-CB 4.18Å; I196-V263 PolarHBondContact N-O 2.95Å; I196-T264 WeakPolarHBondContact O-CB 3.42Å; I196-T264 PolarHBondContact O-OG1 2.81Å; I196-Y286 HydrophobicContact CG2-CD1 3.83Å; I196-Y286 HydrophobicContact CG2-CG 4.45Å; I196-Y286 WeakPolarHBondContact CG2-O 3.31Å; I196-I288 HydrophobicContact CB-CD1 4.15Å; I196-I288 HydrophobicContact CB-CG1 4.3Å; I196-I288 HydrophobicContact CD1-CD1 4.14Å; I196-I288 HydrophobicContact CD1-CG1 4.18Å; I196-I288 HydrophobicContact CG2-CG1 4.48Å; I196-T292 HydrophobicContact CD1-CG2 3.64Å
197	G	98.4	Very high	98.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	154.5	-143.7	-176.2	0	0	0	0	0	113.1	A220 T221 P222	G197-A220 PolarHBondContact N-O 2.69Å; G197-T221 WeakPolarHBondContact O-CA 3.43Å; G197-T221 WeakPolarHBondContact O-CG2 3.39Å; G197-P222 WeakPolarHBondContact O-CD 3.47Å
198	D	97.8	Very high	98.5	Very high	12 Å²	12	11.4 Å²	11.4	6%	0.064	8%	0.08	C	C	.	.			trans	-83.8	155	-174.5	-165.3	19	0	0	0	112.3	W195 N200 R279 F283	W195-D198 WeakPolarHBondContact CZ2-O 3.48Å; W195-D198 PolarHBondContact NE1-O 3.39Å; D198-N200 HydrophobicContact CB-CB 4.33Å; D198-N200 PolarHBondContact O-N 3.19Å; D198-R279 VanDerWaalsContact CG-NH1 3.31Å; D198-R279 IonicContact OD1-NH1 2.88Å; D198-R279 IonicContact OD2-CZ 3.52Å; D198-R279 IonicContact OD2-NH1 3.43Å; D198-R279 PolarHBondContact OD2-NH1 3.45Å; D198-R279 IonicContact OD2-NH2 3.61Å; D198-F283 HydrophobicContact CB-CE1 3.93Å; D198-F283 HydrophobicContact CB-CZ 3.85Å
199	G	97.8	Very high	98.5	Very high	12 Å²	12	11 Å²	11	12%	0.124	8%	0.078	C	C	.	.	S	Bend	trans	-76	53.7	174.4	0	0	0	0	0	113.3	H204 Y225	G199-H204 PolarHBondContact O-NE2 3.09Å; G199-Y225 WeakPolarHBondContact CA-O 3.38Å; G199-Y225 PolarHBondContact N-O 2.69Å
200	N	97.2	Very high	98.5	Very high	12 Å²	12	7 Å²	7	6%	0.064	5%	0.05	C	C	.	.			trans	-101.8	-177.6	-163.8	78.3	11.4	0	0	0	114.8	W195 D198 V202 L203 H204 D265	W195-N200 WeakPolarHBondContact CZ2-OD1 3.25Å; D198-N200 HydrophobicContact CB-CB 4.33Å; D198-N200 PolarHBondContact O-N 3.19Å; N200-V202 VanDerWaalsContact C-N 3.3Å; N200-V202 PolarHBondContact O-N 3Å; N200-V202 WeakPolarHBondContact OD1-CB 3.5Å; N200-V202 PolarHBondContact OD1-N 2.67Å; N200-L203 WeakPolarHBondContact O-CB 3.4Å; N200-L203 PolarHBondContact O-N 2.83Å; N200-L203 PolarHBondContact OD1-N 2.89Å; N200-H204 PolarHBondContact O-CD2 2.96Å; N200-H204 PolarHBondContact O-N 3.45Å; N200-D265 PolarHBondContact ND2-OD2 2.96Å
201	N	97.4	Very high	98.6	Very high	20 Å²	20	5.2 Å²	5.2	11%	0.107	3%	0.031	C	C	.	.	H	α-helix	trans	-56.8	-33	179.7	54.7	10.1	0	0	0	115.5	S166 L168 S205	S166-N201 PolarHBondContact O-ND2 3.35Å; L168-N201 WeakPolarHBondContact O-CA 3.44Å; N201-S205 WeakPolarHBondContact O-CB 3.3Å; N201-S205 PolarHBondContact O-N 2.93Å; N201-S205 VanDerWaalsContact O-N 3.11Å; N201-S205 PolarHBondContact O-OG 3.1Å
202	V	98.4	Very high	98.5	Very high	4 Å²	4	5.2 Å²	5.2	2%	0.024	3%	0.031	C	C	.	.	H	α-helix	trans	-70.5	-47.7	176.5	-178.8	0	0	0	0	109.2	Q173 I174 W195 N200 H204 S205 F206	Q173-V202 HydrophobicContact CG-CG1 4.49Å; I174-V202 HydrophobicContact CD1-CG1 4.01Å; W195-V202 HydrophobicContact CH2-CB 3.82Å; W195-V202 HydrophobicContact CH2-CG1 3.97Å; W195-V202 HydrophobicContact CZ3-CB 4.08Å; W195-V202 HydrophobicContact CZ3-CG1 3.7Å; N200-V202 VanDerWaalsContact C-N 3.3Å; N200-V202 PolarHBondContact O-N 3Å; N200-V202 WeakPolarHBondContact OD1-CB 3.5Å; N200-V202 PolarHBondContact OD1-N 2.67Å; V202-H204 VanDerWaalsContact C-N 3.35Å; V202-H204 PolarHBondContact O-N 3.01Å; V202-S205 WeakPolarHBondContact O-CB 3.32Å; V202-S205 PolarHBondContact O-N 3.04Å; V202-S205 VanDerWaalsContact O-N 3.12Å; V202-F206 HydrophobicContact CG1-CD2 4.17Å; V202-F206 HydrophobicContact CG1-CE2 4.09Å; V202-F206 PolarHBondContact O-N 3.32Å
203	L	98.8	Very high	98.5	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-57.2	-48	173.6	172.2	60.4	0	0	0	111.4	W195 N200 S205 F206 M207 L217 V219 T221 P227	W195-L203 HydrophobicContact CB-CD1 3.89Å; W195-L203 HydrophobicContact CD2-CB 3.95Å; W195-L203 HydrophobicContact CD2-CD1 4.08Å; W195-L203 HydrophobicContact CD2-CG 4.45Å; W195-L203 HydrophobicContact CE3-CB 4.42Å; W195-L203 HydrophobicContact CG-CB 4.34Å; W195-L203 HydrophobicContact CG-CD1 3.68Å; W195-L203 HydrophobicContact CG-CD2 4.42Å; W195-L203 HydrophobicContact CG-CG 4.34Å; W195-L203 HydrophobicContact CH2-CB 4.39Å; W195-L203 HydrophobicContact CZ2-CB 3.92Å; N200-L203 WeakPolarHBondContact O-CB 3.4Å; N200-L203 PolarHBondContact O-N 2.83Å; N200-L203 PolarHBondContact OD1-N 2.89Å; L203-S205 PolarHBondContact O-N 3.32Å; L203-F206 WeakPolarHBondContact O-CA 3.46Å; L203-F206 WeakPolarHBondContact O-CB 3.41Å; L203-F206 PolarHBondContact O-N 3.19Å; L203-M207 HydrophobicContact CD1-CG 3.92Å; L203-M207 HydrophobicContact CD1-SD 4.01Å; L203-M207 HydrophobicContact CD2-SD 4.21Å; L203-M207 HydrophobicContact CG-CG 4.21Å; L203-M207 HydrophobicContact CG-SD 3.77Å; L203-M207 VanDerWaalsContact O-CG 3.31Å; L203-M207 WeakPolarHBondContact O-CG 3.46Å; L203-M207 PolarHBondContact O-N 2.97Å; L203-L217 HydrophobicContact CD1-CD2 4.43Å; L203-V219 HydrophobicContact CD1-CG1 3.96Å; L203-V219 HydrophobicContact CD1-CG2 3.73Å; L203-V219 HydrophobicContact CD2-CG1 3.58Å; L203-V219 HydrophobicContact CG-CG1 4.43Å; L203-T221 HydrophobicContact CD2-CG2 4.29Å; L203-P227 HydrophobicContact CD2-CB 3.93Å; L203-P227 HydrophobicContact CD2-CG 4.08Å
204	H	98.9	Very high	98.5	Very high	9 Å²	9	5.9 Å²	5.9	4%	0.042	4%	0.038	C	C	.	.	H	α-helix	trans	-55.8	-38.3	178.2	-64.9	168	0	0	0	111.9	L168 Y169 G199 N200 V202 M207 M208 P227 D228 V231	L168-H204 WeakPolarHBondContact O-CB 3.13Å; L168-H204 PolarHBondContact O-ND1 3.07Å; Y169-H204 HydrophobicContact CD1-CB 3.82Å; Y169-H204 HydrophobicContact CE1-CB 3.88Å; G199-H204 PolarHBondContact O-NE2 3.09Å; N200-H204 PolarHBondContact O-CD2 2.96Å; N200-H204 PolarHBondContact O-N 3.45Å; V202-H204 VanDerWaalsContact C-N 3.35Å; V202-H204 PolarHBondContact O-N 3.01Å; H204-M207 WeakPolarHBondContact O-CB 3.27Å; H204-M207 PolarHBondContact O-N 2.89Å; H204-M208 WeakPolarHBondContact O-CG 3.35Å; H204-M208 PolarHBondContact O-N 3.39Å; H204-P227 WeakPolarHBondContact NE2-CA 3.46Å; H204-D228 PolarHBondContact NE2-N 2.83Å; H204-V231 HydrophobicContact CB-CG1 3.79Å; H204-V231 HydrophobicContact CB-CG2 4.26Å
205	S	98.8	Very high	98.5	Very high	1 Å²	1	6 Å²	6	1%	0.007	4%	0.039	C	C	.	.	H	α-helix	trans	-71.6	-36.2	178.8	-54.6	0	0	0	0	112.2	H170 N201 V202 L203 M207 M208 T209	H170-S205 PolarHBondContact N-OG 3.23Å; N201-S205 WeakPolarHBondContact O-CB 3.3Å; N201-S205 PolarHBondContact O-N 2.93Å; N201-S205 VanDerWaalsContact O-N 3.11Å; N201-S205 PolarHBondContact O-OG 3.1Å; V202-S205 WeakPolarHBondContact O-CB 3.32Å; V202-S205 PolarHBondContact O-N 3.04Å; V202-S205 VanDerWaalsContact O-N 3.12Å; L203-S205 PolarHBondContact O-N 3.32Å; S205-M207 VanDerWaalsContact C-N 3.35Å; S205-M208 PolarHBondContact O-N 3.05Å; S205-T209 WeakPolarHBondContact O-CB 3.45Å; S205-T209 PolarHBondContact O-N 3.27Å; S205-T209 PolarHBondContact O-OG1 3.21Å
206	F	98.8	Very high	98.5	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-59.4	-47	167.7	-90.5	-69.2	0	0	0	110.9	I174 D177 F178 V193 W195 V202 L203 M208 T209 A210 L217 V263	I174-F206 HydrophobicContact CD1-CB 4.49Å; I174-F206 HydrophobicContact CD1-CD1 4.13Å; I174-F206 HydrophobicContact CD1-CD2 3.31Å; I174-F206 HydrophobicContact CD1-CE1 4.14Å; I174-F206 HydrophobicContact CD1-CE2 3.32Å; I174-F206 HydrophobicContact CD1-CG 3.72Å; I174-F206 HydrophobicContact CD1-CZ 3.75Å; D177-F206 HydrophobicContact CB-CE1 4.49Å; D177-F206 HydrophobicContact CB-CZ 4Å; D177-F206 WeakPolarHBondContact OD2-CZ 3.13Å; F178-F206 HydrophobicContact CE1-CE1 4.3Å; F178-F206 HydrophobicContact CE2-CD1 4.11Å; F178-F206 HydrophobicContact CE2-CE1 4.24Å; F178-F206 AromaticContact CZ-CD1 3.77Å; F178-F206 HydrophobicContact CZ-CD1 3.77Å; F178-F206 AromaticContact CZ-CE1 3.88Å; F178-F206 HydrophobicContact CZ-CE1 3.88Å; V193-F206 HydrophobicContact CG1-CD1 4.38Å; V193-F206 HydrophobicContact CG1-CE1 4.19Å; W195-F206 HydrophobicContact CE3-CD2 4.32Å; W195-F206 HydrophobicContact CZ3-CD2 4.45Å; V202-F206 HydrophobicContact CG1-CD2 4.17Å; V202-F206 HydrophobicContact CG1-CE2 4.09Å; V202-F206 PolarHBondContact O-N 3.32Å; L203-F206 WeakPolarHBondContact O-CA 3.46Å; L203-F206 WeakPolarHBondContact O-CB 3.41Å; L203-F206 PolarHBondContact O-N 3.19Å; F206-M208 VanDerWaalsContact C-N 3.27Å; F206-M208 PolarHBondContact O-N 2.7Å; F206-T209 PolarHBondContact O-N 3.01Å; F206-A210 WeakPolarHBondContact O-CB 3.15Å; F206-A210 PolarHBondContact O-N 3.32Å; F206-L217 HydrophobicContact CB-CD1 4.48Å; F206-L217 HydrophobicContact CB-CD2 4.26Å; F206-V263 HydrophobicContact CE2-CG1 3.97Å; F206-V263 HydrophobicContact CZ-CG1 4.35Å; F206-V263 HydrophobicContact CZ-CG2 4.43Å
207	M	98.9	Very high	98.5	Very high	4 Å²	4	8.2 Å²	8.2	2%	0.02	5%	0.049	C	C	.	.	H	α-helix	trans	-60.8	-33.7	-179.5	-72.5	176.9	77.8	0	0	112.9	L203 H204 S205 T209 L217 P227 V231 A235	L203-M207 HydrophobicContact CD1-CG 3.92Å; L203-M207 HydrophobicContact CD1-SD 4.01Å; L203-M207 HydrophobicContact CD2-SD 4.21Å; L203-M207 HydrophobicContact CG-CG 4.21Å; L203-M207 HydrophobicContact CG-SD 3.77Å; L203-M207 VanDerWaalsContact O-CG 3.31Å; L203-M207 WeakPolarHBondContact O-CG 3.46Å; L203-M207 PolarHBondContact O-N 2.97Å; H204-M207 WeakPolarHBondContact O-CB 3.27Å; H204-M207 PolarHBondContact O-N 2.89Å; S205-M207 VanDerWaalsContact C-N 3.35Å; M207-T209 VanDerWaalsContact C-N 3.29Å; M207-T209 PolarHBondContact O-N 3.44Å; M207-L217 HydrophobicContact CB-CD2 4.39Å; M207-L217 HydrophobicContact CG-CD2 3.63Å; M207-P227 HydrophobicContact CE-CB 4.27Å; M207-P227 HydrophobicContact CE-CG 4.04Å; M207-P227 HydrophobicContact SD-CB 3.75Å; M207-P227 HydrophobicContact SD-CG 3.91Å; M207-V231 HydrophobicContact CB-CG1 4.04Å; M207-V231 HydrophobicContact CE-CG1 4.21Å; M207-V231 HydrophobicContact SD-CG1 4Å; M207-A235 HydrophobicContact CB-CB 3.76Å; M207-A235 HydrophobicContact CE-CB 3.61Å; M207-A235 HydrophobicContact CG-CB 4.29Å
208	M	98.8	Very high	98.5	Very high	1 Å²	1	10 Å²	10	1%	0.005	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-12.2	175.8	-67.8	-55.4	98.8	0	0	114.2	K48 Y169 H204 S205 F206 K212 V231 E234 A235	K48-M208 HydrophobicContact CB-CB 4.47Å; K48-M208 HydrophobicContact CB-CG 4.11Å; K48-M208 HydrophobicContact CB-SD 3.76Å; K48-M208 HydrophobicContact CD-SD 4.2Å; K48-M208 HydrophobicContact CG-SD 3.89Å; Y169-M208 HydrophobicContact CD1-CG 4.44Å; Y169-M208 HydrophobicContact CE1-CG 3.82Å; H204-M208 WeakPolarHBondContact O-CG 3.35Å; H204-M208 PolarHBondContact O-N 3.39Å; S205-M208 PolarHBondContact O-N 3.05Å; F206-M208 VanDerWaalsContact C-N 3.27Å; F206-M208 PolarHBondContact O-N 2.7Å; M208-K212 WeakPolarHBondContact O-CD 3.15Å; M208-K212 VanDerWaalsContact O-CE 3.24Å; M208-K212 WeakPolarHBondContact O-CE 3.45Å; M208-V231 HydrophobicContact CE-CB 4.41Å; M208-V231 HydrophobicContact CE-CG1 3.67Å; M208-V231 VanDerWaalsContact CE-O 3.29Å; M208-V231 WeakPolarHBondContact CE-O 3.21Å; M208-E234 HydrophobicContact CE-CB 3.88Å; M208-E234 HydrophobicContact CE-CG 3.79Å; M208-E234 HydrophobicContact SD-CB 4.38Å; M208-E234 HydrophobicContact SD-CG 3.74Å; M208-A235 HydrophobicContact CE-CB 4.25Å
209	T	98.8	Very high	98.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-40.9	-164.4	-48.2	0	0	0	0	114	L47 I55 I174 F178 S205 F206 M207 A211 K212 L213	L47-T209 WeakPolarHBondContact CB-OG1 3.45Å; L47-T209 HydrophobicContact CD1-CG2 3.94Å; L47-T209 WeakPolarHBondContact CD1-OG1 3.35Å; I55-T209 HydrophobicContact CD1-CG2 3.97Å; I55-T209 HydrophobicContact CG2-CG2 4.16Å; I174-T209 HydrophobicContact CG2-CG2 4.01Å; F178-T209 HydrophobicContact CD2-CG2 3.84Å; F178-T209 HydrophobicContact CE2-CG2 3.58Å; S205-T209 WeakPolarHBondContact O-CB 3.45Å; S205-T209 PolarHBondContact O-N 3.27Å; S205-T209 PolarHBondContact O-OG1 3.21Å; F206-T209 PolarHBondContact O-N 3.01Å; M207-T209 VanDerWaalsContact C-N 3.29Å; M207-T209 PolarHBondContact O-N 3.44Å; T209-A211 PolarHBondContact O-N 2.83Å; T209-K212 WeakPolarHBondContact O-CB 3.27Å; T209-K212 PolarHBondContact O-N 2.92Å; T209-L213 HydrophobicContact CG2-CD1 3.9Å; T209-L213 HydrophobicContact CG2-CG 4.37Å; T209-L213 PolarHBondContact O-N 3.3Å
210	A	98.8	Very high	98.6	Very high	2 Å²	2	8.9 Å²	8.9	2%	0.017	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-51.3	-170.2	0	0	0	0	0	112.4	F178 F206 K212 L213 G214 V215 L217	F178-A210 HydrophobicContact CZ-CB 4.11Å; F206-A210 WeakPolarHBondContact O-CB 3.15Å; F206-A210 PolarHBondContact O-N 3.32Å; A210-K212 VanDerWaalsContact C-N 3.29Å; A210-K212 PolarHBondContact O-N 2.94Å; A210-L213 CarbonylContact O-C 3.52Å; A210-L213 PolarHBondContact O-N 3.01Å; A210-G214 PolarHBondContact O-N 2.87Å; A210-V215 CarbonylContact C-O 3.53Å; A210-V215 HydrophobicContact CB-CB 4.04Å; A210-V215 HydrophobicContact CB-CG1 4.18Å; A210-V215 WeakPolarHBondContact O-CB 3.15Å; A210-V215 PolarHBondContact O-N 2.82Å; A210-L217 HydrophobicContact CB-CB 4.35Å
211	A	98.8	Very high	98.7	Very high	2 Å²	2	8.7 Å²	8.7	2%	0.017	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-57.7	-40.5	178.7	0	0	0	0	0	112.6	T209 L213 G214 L238 H242 T244	T209-A211 PolarHBondContact O-N 2.83Å; A211-L213 PolarHBondContact O-N 3.17Å; A211-G214 PolarHBondContact O-N 3.29Å; A211-L238 HydrophobicContact CB-CB 3.96Å; A211-H242 HydrophobicContact CB-CB 4.37Å; A211-H242 WeakPolarHBondContact O-CB 3.49Å; A211-T244 WeakPolarHBondContact CA-OG1 3.35Å; A211-T244 VanDerWaalsContact CB-OG1 3.29Å; A211-T244 WeakPolarHBondContact CB-OG1 3.24Å
212	K	98.6	Very high	98.7	Very high	13 Å²	13	8 Å²	8	6%	0.057	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-63.9	-24.3	179.3	-60.5	180	-179.7	178.8	0	112.6	L47 K48 F50 S52 I55 M208 T209 A210 L238	L47-K212 PolarHBondContact O-NZ 3.4Å; K48-K212 PolarHBondContact O-NZ 2.87Å; F50-K212 WeakPolarHBondContact O-CD 3.42Å; F50-K212 WeakPolarHBondContact O-CE 3.43Å; F50-K212 PolarHBondContact O-NZ 3.15Å; S52-K212 VanDerWaalsContact CB-O 3.27Å; S52-K212 WeakPolarHBondContact CB-O 3.46Å; S52-K212 PolarHBondContact OG-O 2.83Å; I55-K212 HydrophobicContact CD1-CB 4.18Å; I55-K212 HydrophobicContact CD1-CD 3.68Å; M208-K212 WeakPolarHBondContact O-CD 3.15Å; M208-K212 VanDerWaalsContact O-CE 3.24Å; M208-K212 WeakPolarHBondContact O-CE 3.45Å; T209-K212 WeakPolarHBondContact O-CB 3.27Å; T209-K212 PolarHBondContact O-N 2.92Å; A210-K212 VanDerWaalsContact C-N 3.29Å; A210-K212 PolarHBondContact O-N 2.94Å; K212-L238 HydrophobicContact CG-CD2 4.24Å
213	L	98.6	Very high	98.7	Very high	13 Å²	13	15.9 Å²	15.9	7%	0.068	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-98.1	6.3	176	-61	178.1	0	0	0	113	I55 K56 L59 F178 L188 T209 A210 A211 V215	I55-L213 HydrophobicContact CB-CD2 4.33Å; I55-L213 HydrophobicContact CG2-CD1 4.06Å; I55-L213 HydrophobicContact CG2-CD2 3.89Å; I55-L213 HydrophobicContact CG2-CG 4.29Å; K56-L213 HydrophobicContact CG-CD2 4.04Å; L59-L213 HydrophobicContact CD1-CD1 4.2Å; L59-L213 HydrophobicContact CD1-CD2 4.49Å; F178-L213 HydrophobicContact CB-CD1 4.02Å; F178-L213 HydrophobicContact CD1-CD1 4.04Å; F178-L213 HydrophobicContact CD2-CD1 3.53Å; F178-L213 HydrophobicContact CE1-CD1 4.44Å; F178-L213 HydrophobicContact CE2-CD1 3.95Å; F178-L213 HydrophobicContact CG-CD1 3.59Å; F178-L213 HydrophobicContact CZ-CD1 4.39Å; L188-L213 HydrophobicContact CD1-CB 4.31Å; L188-L213 HydrophobicContact CD1-CD1 3.8Å; L188-L213 HydrophobicContact CD1-CG 4.49Å; T209-L213 HydrophobicContact CG2-CD1 3.9Å; T209-L213 HydrophobicContact CG2-CG 4.37Å; T209-L213 PolarHBondContact O-N 3.3Å; A210-L213 CarbonylContact O-C 3.52Å; A210-L213 PolarHBondContact O-N 3.01Å; A211-L213 PolarHBondContact O-N 3.17Å; L213-V215 VanDerWaalsContact C-N 3.3Å; L213-V215 HydrophobicContact CB-CG2 4.2Å
214	G	98.5	Very high	98.6	Very high	18 Å²	18	19 Å²	19	19%	0.186	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	23.2	-178.5	0	0	0	0	0	113.5	G190 A210 A211	G190-G214 PolarHBondContact N-O 3.27Å; A210-G214 PolarHBondContact O-N 2.87Å; A211-G214 PolarHBondContact O-N 3.29Å
215	V	98.9	Very high	98.5	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.012	11%	0.112	C	C	.	.			trans	-96.5	131.8	179.7	177.2	0	0	0	0	109.2	F178 L188 L191 V193 A210 L213	F178-V215 HydrophobicContact CE1-CB 4.41Å; F178-V215 HydrophobicContact CE1-CG1 4.31Å; F178-V215 HydrophobicContact CE1-CG2 3.92Å; L188-V215 HydrophobicContact CB-CG2 3.96Å; L188-V215 VanDerWaalsContact O-CG2 3.32Å; L188-V215 WeakPolarHBondContact O-CG2 3.34Å; L191-V215 HydrophobicContact CB-CG1 4.47Å; L191-V215 WeakPolarHBondContact O-CA 3.5Å; V193-V215 HydrophobicContact CB-CG1 4.19Å; V193-V215 HydrophobicContact CG2-CG1 3.58Å; A210-V215 CarbonylContact C-O 3.53Å; A210-V215 HydrophobicContact CB-CB 4.04Å; A210-V215 HydrophobicContact CB-CG1 4.18Å; A210-V215 WeakPolarHBondContact O-CB 3.15Å; A210-V215 PolarHBondContact O-N 2.82Å; L213-V215 VanDerWaalsContact C-N 3.3Å; L213-V215 HydrophobicContact CB-CG2 4.2Å
216	H	98.9	Very high	98.5	Very high	42 Å²	42	24.5 Å²	24.5	19%	0.194	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	142.6	170.1	-51.8	-83.3	0	0	0	109.9	L191 T192 V193 Q245	L191-H216 PolarHBondContact O-CD2 2.76Å; L191-H216 PolarHBondContact O-N 2.75Å; T192-H216 WeakPolarHBondContact CA-O 3.25Å; T192-H216 HydrophobicContact CG2-CB 4.24Å; V193-H216 PolarHBondContact N-O 2.9Å; H216-Q245 WeakPolarHBondContact CA-O 3.41Å; H216-Q245 HydrophobicContact CB-CB 4.26Å; H216-Q245 PolarHBondContact ND1-N 3.28Å
217	L	98.9	Very high	98.4	Very high	5 Å²	5	25 Å²	25	3%	0.026	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.9	179.6	-172	63.1	0	0	0	110.6	V193 L203 F206 M207 A210 V219 Q245 L246 V247	V193-L217 HydrophobicContact CB-CD1 4.02Å; V193-L217 HydrophobicContact CG1-CD1 3.88Å; V193-L217 WeakPolarHBondContact O-CA 3.4Å; L203-L217 HydrophobicContact CD1-CD2 4.43Å; F206-L217 HydrophobicContact CB-CD1 4.48Å; F206-L217 HydrophobicContact CB-CD2 4.26Å; M207-L217 HydrophobicContact CB-CD2 4.39Å; M207-L217 HydrophobicContact CG-CD2 3.63Å; A210-L217 HydrophobicContact CB-CB 4.35Å; L217-V219 HydrophobicContact CD2-CG2 4.11Å; L217-V219 HydrophobicContact CG-CG2 3.87Å; L217-Q245 PolarHBondContact N-O 3.26Å; L217-L246 HydrophobicContact CB-CD1 4.02Å; L217-L246 HydrophobicContact CD2-CD1 4.07Å; L217-L246 HydrophobicContact CG-CD1 4.18Å; L217-L246 CarbonylContact O-C 3.55Å; L217-L246 VanDerWaalsContact O-CA 3.27Å; L217-L246 WeakPolarHBondContact O-CA 3.48Å; L217-V247 PolarHBondContact O-N 3.32Å
218	K	98.9	Very high	98.4	Very high	37 Å²	37	28.5 Å²	28.5	16%	0.161	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.8	169.1	-60.8	-176.5	172.4	-170	0	108.4	T192 V193 S194 W195 V247 A255 H257	T192-K218 HydrophobicContact CG2-CD 4Å; T192-K218 HydrophobicContact CG2-CG 4Å; V193-K218 PolarHBondContact O-N 3.37Å; S194-K218 CarbonylContact C-O 3.59Å; S194-K218 VanDerWaalsContact CA-O 3.31Å; S194-K218 WeakPolarHBondContact CA-O 3.41Å; W195-K218 PolarHBondContact N-O 2.91Å; K218-V247 CarbonylContact C-O 3.54Å; K218-V247 WeakPolarHBondContact CA-O 3.48Å; K218-V247 HydrophobicContact CB-CB 4.44Å; K218-V247 HydrophobicContact CG-CB 4.12Å; K218-V247 HydrophobicContact CG-CG2 4.3Å; K218-A255 HydrophobicContact CB-CB 4.2Å; K218-A255 WeakPolarHBondContact CD-O 3.49Å; K218-H257 PolarHBondContact NZ-O 3.06Å
219	V	98.9	Very high	98.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	120	-172.3	-177.3	0	0	0	0	108.4	W195 L203 L217 T221 L246 V247 L248 T249	W195-V219 HydrophobicContact CB-CG1 4.5Å; W195-V219 HydrophobicContact CB-CG2 4.45Å; W195-V219 CarbonylContact O-C 3.59Å; W195-V219 WeakPolarHBondContact O-CA 3.29Å; L203-V219 HydrophobicContact CD1-CG1 3.96Å; L203-V219 HydrophobicContact CD1-CG2 3.73Å; L203-V219 HydrophobicContact CD2-CG1 3.58Å; L203-V219 HydrophobicContact CG-CG1 4.43Å; L217-V219 HydrophobicContact CD2-CG2 4.11Å; L217-V219 HydrophobicContact CG-CG2 3.87Å; V219-T221 HydrophobicContact CG1-CG2 3.92Å; V219-L246 HydrophobicContact CG2-CD1 4.32Å; V219-V247 PolarHBondContact N-O 3.18Å; V219-L248 HydrophobicContact CB-CD2 3.63Å; V219-L248 HydrophobicContact CG1-CD2 4.17Å; V219-L248 HydrophobicContact CG2-CD2 3.77Å; V219-T249 WeakPolarHBondContact O-CG2 3.35Å; V219-T249 PolarHBondContact O-N 2.71Å
220	A	98.9	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.9	166.1	0	0	0	0	0	109.6	W195 I196 G197 T249 A255 Y286	W195-A220 PolarHBondContact O-N 3.29Å; I196-A220 HydrophobicContact CG1-CB 4.34Å; I196-A220 HydrophobicContact CG2-CB 4.48Å; G197-A220 PolarHBondContact N-O 2.69Å; A220-T249 WeakPolarHBondContact CA-O 3.38Å; A220-T249 HydrophobicContact CB-CG2 4.18Å; A220-A255 HydrophobicContact CB-CB 3.67Å; A220-Y286 HydrophobicContact CB-CE1 4.16Å
221	T	98.7	Very high	98.4	Very high	8 Å²	8	37.5 Å²	37.5	5%	0.049	21%	0.207	C	C	.	.			trans	-125.1	142	171.5	53.5	0	0	0	0	110.1	G197 L203 V219 Y225 T249 Y286	G197-T221 WeakPolarHBondContact O-CA 3.43Å; G197-T221 WeakPolarHBondContact O-CG2 3.39Å; L203-T221 HydrophobicContact CD2-CG2 4.29Å; V219-T221 HydrophobicContact CG1-CG2 3.92Å; T221-Y225 WeakPolarHBondContact CB-O 3.44Å; T221-T249 PolarHBondContact N-O 3.37Å; T221-T249 VanDerWaalsContact N-O 3.15Å; T221-Y286 PolarHBondContact O-OH 2.97Å; T221-Y286 VanDerWaalsContact O-OH 3.13Å
222	P	98.1	Very high	98.4	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.032	21%	0.211	C	C	.	.			trans	-58	151.2	169.5	-19.5	31.1	0	0	0	110.8	G197 G224 Y225 F283 Y286	G197-P222 WeakPolarHBondContact O-CD 3.47Å; P222-G224 PolarHBondContact O-N 3.37Å; P222-Y225 HydrophobicContact CB-CD2 3.89Å; P222-Y225 WeakPolarHBondContact O-CB 3.35Å; P222-Y225 PolarHBondContact O-N 3.2Å; P222-F283 HydrophobicContact CG-CB 4.49Å; P222-F283 HydrophobicContact CG-CD1 3.82Å; P222-F283 HydrophobicContact CG-CD2 3.79Å; P222-F283 HydrophobicContact CG-CE1 3.92Å; P222-F283 HydrophobicContact CG-CE2 3.89Å; P222-F283 HydrophobicContact CG-CG 3.77Å; P222-F283 HydrophobicContact CG-CZ 3.96Å; P222-Y286 WeakPolarHBondContact CA-OH 3.42Å; P222-Y286 HydrophobicContact CB-CE2 4.26Å; P222-Y286 HydrophobicContact CG-CD1 4.05Å; P222-Y286 HydrophobicContact CG-CD2 4.05Å; P222-Y286 HydrophobicContact CG-CE1 3.76Å; P222-Y286 HydrophobicContact CG-CE2 3.79Å; P222-Y286 HydrophobicContact CG-CG 4.19Å
223	K	96.8	Very high	98.4	Very high	171 Å²	171	42.6 Å²	42.6	74%	0.743	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	132.5	177.7	-67.1	-173.8	-179.9	180	0	110.7	Y225 E226	K223-Y225 VanDerWaalsContact C-N 3.32Å; K223-E226 WeakPolarHBondContact CA-OE1 3.24Å
224	G	96.4	Very high	98.4	Very high	65 Å²	65	43.5 Å²	43.5	67%	0.67	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	2.4	-175.5	0	0	0	0	0	114.6	P222 E226	P222-G224 PolarHBondContact O-N 3.37Å; G224-E226 VanDerWaalsContact C-OE2 3.26Å; G224-E226 WeakPolarHBondContact CA-OE2 3.42Å; G224-E226 VanDerWaalsContact N-CD 3.27Å; G224-E226 PolarHBondContact N-OE1 3.48Å; G224-E226 PolarHBondContact N-OE2 2.78Å
225	Y	97.4	Very high	98.4	Very high	20 Å²	20	42.7 Å²	42.7	8%	0.078	23%	0.227	C	C	.	.			trans	-122.9	26.2	175.8	-62	-93.5	0	0	0	110.9	G199 T221 P222 K223 R278 R279 D282 F283	G199-Y225 WeakPolarHBondContact CA-O 3.38Å; G199-Y225 PolarHBondContact N-O 2.69Å; T221-Y225 WeakPolarHBondContact CB-O 3.44Å; P222-Y225 HydrophobicContact CB-CD2 3.89Å; P222-Y225 WeakPolarHBondContact O-CB 3.35Å; P222-Y225 PolarHBondContact O-N 3.2Å; K223-Y225 VanDerWaalsContact C-N 3.32Å; Y225-R278 PolarHBondContact OH-NE 3.11Å; Y225-R279 HydrophobicContact CE1-CG 3.77Å; Y225-R279 VanDerWaalsContact CE1-CZ 3.5Å; Y225-D282 HydrophobicContact CE2-CB 3.72Å; Y225-D282 VanDerWaalsContact CE2-OD2 3.29Å; Y225-D282 WeakPolarHBondContact CE2-OD2 3.31Å; Y225-D282 PolarHBondContact OH-OD2 3.24Å; Y225-F283 AromaticContact CD1-CE2 3.61Å; Y225-F283 HydrophobicContact CD1-CE2 3.61Å; Y225-F283 AromaticContact CD1-CZ 3.86Å; Y225-F283 HydrophobicContact CD1-CZ 3.86Å; Y225-F283 AromaticContact CD2-CE2 3.98Å; Y225-F283 HydrophobicContact CD2-CE2 3.98Å; Y225-F283 AromaticContact CE1-CE2 3.72Å; Y225-F283 HydrophobicContact CE1-CE2 3.72Å; Y225-F283 HydrophobicContact CE1-CZ 4.37Å; Y225-F283 HydrophobicContact CE2-CE2 4.06Å; Y225-F283 AromaticContact CG-CE2 3.74Å; Y225-F283 HydrophobicContact CG-CE2 3.74Å; Y225-F283 AromaticContact CG-CZ 3.97Å; Y225-F283 HydrophobicContact CG-CZ 3.97Å; Y225-F283 AromaticContact CZ-CE2 3.92Å
226	E	98.4	Very high	98.4	Very high	105 Å²	105	47.6 Å²	47.6	49%	0.491	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-64.7	152.7	177.6	-61.8	81.3	-175.6	0	0	111.4	K223 G224	K223-E226 WeakPolarHBondContact CA-OE1 3.24Å; G224-E226 VanDerWaalsContact C-OE2 3.26Å; G224-E226 WeakPolarHBondContact CA-OE2 3.42Å; G224-E226 VanDerWaalsContact N-CD 3.27Å; G224-E226 PolarHBondContact N-OE1 3.48Å; G224-E226 PolarHBondContact N-OE2 2.78Å
227	P	98.3	Very high	98.4	Very high	10 Å²	10	51.3 Å²	51.3	7%	0.065	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-58.8	158.3	171.3	25.2	-34.5	0	0	0	111.8	L203 H204 M207 K229 T232	L203-P227 HydrophobicContact CD2-CB 3.93Å; L203-P227 HydrophobicContact CD2-CG 4.08Å; H204-P227 WeakPolarHBondContact NE2-CA 3.46Å; M207-P227 HydrophobicContact CE-CB 4.27Å; M207-P227 HydrophobicContact CE-CG 4.04Å; M207-P227 HydrophobicContact SD-CB 3.75Å; M207-P227 HydrophobicContact SD-CG 3.91Å; P227-K229 PolarHBondContact O-N 2.81Å; P227-T232 WeakPolarHBondContact CG-OG1 3.48Å
228	D	98.6	Very high	98.4	Very high	78 Å²	78	51.2 Å²	51.2	42%	0.417	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-50	140.6	175.5	174.1	-98	0	0	0	111.6	H204 G230 V231 T232	H204-D228 PolarHBondContact NE2-N 2.83Å; D228-G230 PolarHBondContact O-N 3.27Å; D228-G230 WeakPolarHBondContact OD1-CA 3.5Å; D228-G230 PolarHBondContact OD1-N 2.86Å; D228-V231 HydrophobicContact CB-CB 4.12Å; D228-V231 HydrophobicContact CB-CG2 3.87Å; D228-V231 PolarHBondContact O-N 3.01Å; D228-V231 PolarHBondContact OD1-N 3.32Å; D228-T232 WeakPolarHBondContact O-CB 3.31Å; D228-T232 PolarHBondContact O-N 3.45Å; D228-T232 PolarHBondContact O-OG1 2.99Å
229	K	98.4	Very high	98.4	Very high	152 Å²	152	50 Å²	50	66%	0.661	26%	0.258	S	S	*	.	H	α-helix	trans	-65.5	-41.9	-174.8	-176.1	178.8	171.4	-174.9	0	111.7	P227 T232 E233	P227-K229 PolarHBondContact O-N 2.81Å; K229-T232 WeakPolarHBondContact O-CB 3.35Å; K229-T232 PolarHBondContact O-N 3.46Å; K229-E233 WeakPolarHBondContact CE-OE1 3.33Å; K229-E233 IonicContact NZ-OE1 3.97Å; K229-E233 WeakPolarHBondContact O-CG 3.47Å; K229-E233 PolarHBondContact O-N 3.25Å
230	G	98.4	Very high	98.3	Very high	39 Å²	39	58.9 Å²	58.9	40%	0.402	30%	0.297	S	S	.	.	H	α-helix	trans	-66.3	-39.3	178.1	0	0	0	0	0	112	D228 T232 E234	D228-G230 PolarHBondContact O-N 3.27Å; D228-G230 WeakPolarHBondContact OD1-CA 3.5Å; D228-G230 PolarHBondContact OD1-N 2.86Å; G230-T232 VanDerWaalsContact C-N 3.32Å; G230-E234 WeakPolarHBondContact O-CB 3.49Å; G230-E234 PolarHBondContact O-N 3.32Å; G230-E234 VanDerWaalsContact O-N 3.14Å
231	V	98.8	Very high	98.3	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-43	171.5	176.3	0	0	0	0	111	L168 Y169 H204 M207 M208 D228 E234 A235	L168-V231 HydrophobicContact CD1-CG2 4.31Å; Y169-V231 HydrophobicContact CE1-CG2 4.03Å; H204-V231 HydrophobicContact CB-CG1 3.79Å; H204-V231 HydrophobicContact CB-CG2 4.26Å; M207-V231 HydrophobicContact CB-CG1 4.04Å; M207-V231 HydrophobicContact CE-CG1 4.21Å; M207-V231 HydrophobicContact SD-CG1 4Å; M208-V231 HydrophobicContact CE-CB 4.41Å; M208-V231 HydrophobicContact CE-CG1 3.67Å; M208-V231 VanDerWaalsContact CE-O 3.29Å; M208-V231 WeakPolarHBondContact CE-O 3.21Å; D228-V231 HydrophobicContact CB-CB 4.12Å; D228-V231 HydrophobicContact CB-CG2 3.87Å; D228-V231 PolarHBondContact O-N 3.01Å; D228-V231 PolarHBondContact OD1-N 3.32Å; V231-E234 PolarHBondContact O-N 3.45Å; V231-A235 WeakPolarHBondContact O-CB 3.29Å; V231-A235 PolarHBondContact O-N 3.07Å
232	T	98.8	Very high	98.3	Very high	18 Å²	18	67.3 Å²	67.3	11%	0.11	34%	0.335	C	S	.	.	H	α-helix	trans	-63	-48.7	179.9	-62.8	0	0	0	0	112.6	P227 D228 K229 G230 E234 A235 Q236 L248	P227-T232 WeakPolarHBondContact CG-OG1 3.48Å; D228-T232 WeakPolarHBondContact O-CB 3.31Å; D228-T232 PolarHBondContact O-N 3.45Å; D228-T232 PolarHBondContact O-OG1 2.99Å; K229-T232 WeakPolarHBondContact O-CB 3.35Å; K229-T232 PolarHBondContact O-N 3.46Å; G230-T232 VanDerWaalsContact C-N 3.32Å; T232-E234 VanDerWaalsContact C-N 3.31Å; T232-E234 PolarHBondContact O-N 3.23Å; T232-A235 PolarHBondContact O-N 3.17Å; T232-Q236 WeakPolarHBondContact O-CG 3.47Å; T232-Q236 PolarHBondContact O-N 3.05Å; T232-L248 HydrophobicContact CG2-CD1 3.61Å
233	E	98.7	Very high	98.3	Very high	105 Å²	105	70.2 Å²	70.2	49%	0.491	37%	0.366	S	S	.	.	H	α-helix	trans	-60	-42.8	178.2	-72.2	172.4	179.2	0	0	111.2	K229 Q236 R237	K229-E233 WeakPolarHBondContact CE-OE1 3.33Å; K229-E233 IonicContact NZ-OE1 3.97Å; K229-E233 WeakPolarHBondContact O-CG 3.47Å; K229-E233 PolarHBondContact O-N 3.25Å; E233-Q236 PolarHBondContact O-N 3Å; E233-R237 PolarHBondContact O-N 3.2Å
234	E	98.7	Very high	98.4	Very high	32 Å²	32	63 Å²	63	15%	0.15	34%	0.336	C	S	.	.	H	α-helix	trans	-66.5	-40.6	177.1	179.6	58.9	-172.4	0	0	112.2	K48 M208 G230 V231 T232 Q236 R237 L238	K48-E234 HydrophobicContact CD-CG 4.45Å; K48-E234 HydrophobicContact CG-CG 4.42Å; M208-E234 HydrophobicContact CE-CB 3.88Å; M208-E234 HydrophobicContact CE-CG 3.79Å; M208-E234 HydrophobicContact SD-CB 4.38Å; M208-E234 HydrophobicContact SD-CG 3.74Å; G230-E234 WeakPolarHBondContact O-CB 3.49Å; G230-E234 PolarHBondContact O-N 3.32Å; G230-E234 VanDerWaalsContact O-N 3.14Å; V231-E234 PolarHBondContact O-N 3.45Å; T232-E234 VanDerWaalsContact C-N 3.31Å; T232-E234 PolarHBondContact O-N 3.23Å; E234-Q236 VanDerWaalsContact C-N 3.33Å; E234-Q236 PolarHBondContact O-N 3.19Å; E234-R237 WeakPolarHBondContact O-CB 3.42Å; E234-R237 PolarHBondContact O-N 3.47Å; E234-R237 IonicContact OE1-CZ 2.67Å; E234-R237 IonicContact OE1-NE 3.92Å; E234-R237 PolarHBondContact OE1-NE 3.11Å; E234-R237 IonicContact OE1-NH2 3.34Å; E234-R237 PolarHBondContact OE1-NH2 3.2Å; E234-R237 IonicContact OE2-CZ 3.88Å; E234-R237 IonicContact OE2-NE 3.99Å; E234-R237 PolarHBondContact OE2-NE 3.17Å; E234-R237 IonicContact OE2-NH2 3.19Å; E234-L238 HydrophobicContact CG-CD1 4.17Å; E234-L238 HydrophobicContact CG-CG 4.49Å; E234-L238 WeakPolarHBondContact O-CG 3.49Å; E234-L238 PolarHBondContact O-N 3.43Å
235	A	98.8	Very high	98.5	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.008	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-37.9	177.4	0	0	0	0	0	112.4	M207 M208 V231 T232 L238 S239 L246	M207-A235 HydrophobicContact CB-CB 3.76Å; M207-A235 HydrophobicContact CE-CB 3.61Å; M207-A235 HydrophobicContact CG-CB 4.29Å; M208-A235 HydrophobicContact CE-CB 4.25Å; V231-A235 WeakPolarHBondContact O-CB 3.29Å; V231-A235 PolarHBondContact O-N 3.07Å; T232-A235 PolarHBondContact O-N 3.17Å; A235-L238 PolarHBondContact O-N 3.37Å; A235-S239 WeakPolarHBondContact O-CB 3.46Å; A235-S239 PolarHBondContact O-N 2.92Å; A235-S239 PolarHBondContact O-OG 3.1Å; A235-L246 HydrophobicContact CB-CD2 3.68Å
236	Q	98.8	Very high	98.6	Very high	105 Å²	105	66.2 Å²	66.2	49%	0.491	34%	0.336	S	S	.	.	H	α-helix	trans	-63.6	-44.1	172.8	-71.7	173.3	-11.6	0	0	111	T232 E233 E234 S239 K240 L246	T232-Q236 WeakPolarHBondContact O-CG 3.47Å; T232-Q236 PolarHBondContact O-N 3.05Å; E233-Q236 PolarHBondContact O-N 3Å; E234-Q236 VanDerWaalsContact C-N 3.33Å; E234-Q236 PolarHBondContact O-N 3.19Å; Q236-S239 PolarHBondContact O-N 2.81Å; Q236-K240 PolarHBondContact O-N 3.27Å; Q236-L246 HydrophobicContact CG-CD2 3.83Å
237	R	98.8	Very high	98.6	Very high	119 Å²	119	63.3 Å²	63.3	45%	0.449	33%	0.325	S	S	.	.	H	α-helix	trans	-59.3	-48.8	175.8	-167.6	-166.1	69.2	70.5	1.9	111.4	E233 E234 S239 K240 Q241	E233-R237 PolarHBondContact O-N 3.2Å; E234-R237 WeakPolarHBondContact O-CB 3.42Å; E234-R237 PolarHBondContact O-N 3.47Å; E234-R237 IonicContact OE1-CZ 2.67Å; E234-R237 IonicContact OE1-NE 3.92Å; E234-R237 PolarHBondContact OE1-NE 3.11Å; E234-R237 IonicContact OE1-NH2 3.34Å; E234-R237 PolarHBondContact OE1-NH2 3.2Å; E234-R237 IonicContact OE2-CZ 3.88Å; E234-R237 IonicContact OE2-NE 3.99Å; E234-R237 PolarHBondContact OE2-NE 3.17Å; E234-R237 IonicContact OE2-NH2 3.19Å; R237-S239 VanDerWaalsContact C-N 3.35Å; R237-S239 PolarHBondContact O-N 3.12Å; R237-K240 PolarHBondContact O-N 2.89Å; R237-Q241 WeakPolarHBondContact O-CB 3.29Å; R237-Q241 PolarHBondContact O-N 3.01Å
238	L	98.6	Very high	98.6	Very high	3 Å²	3	66.4 Å²	66.4	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-61.4	-42.4	177	-71.2	171	0	0	0	111.7	A211 K212 E234 A235 K240 Q241 H242	A211-L238 HydrophobicContact CB-CB 3.96Å; K212-L238 HydrophobicContact CG-CD2 4.24Å; E234-L238 HydrophobicContact CG-CD1 4.17Å; E234-L238 HydrophobicContact CG-CG 4.49Å; E234-L238 WeakPolarHBondContact O-CG 3.49Å; E234-L238 PolarHBondContact O-N 3.43Å; A235-L238 PolarHBondContact O-N 3.37Å; L238-K240 PolarHBondContact O-N 3.22Å; L238-Q241 PolarHBondContact O-N 3.27Å; L238-H242 PolarHBondContact O-CD2 3.02Å; L238-H242 VanDerWaalsContact O-CD2 3.32Å; L238-H242 PolarHBondContact O-N 2.95Å
239	S	98.5	Very high	98.6	Very high	11 Å²	11	63.8 Å²	63.8	8%	0.077	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-44.4	179.7	-60	0	0	0	0	111.7	A235 Q236 R237 H242 G243 T244 L246	A235-S239 WeakPolarHBondContact O-CB 3.46Å; A235-S239 PolarHBondContact O-N 2.92Å; A235-S239 PolarHBondContact O-OG 3.1Å; Q236-S239 PolarHBondContact O-N 2.81Å; R237-S239 VanDerWaalsContact C-N 3.35Å; R237-S239 PolarHBondContact O-N 3.12Å; S239-H242 PolarHBondContact O-N 2.72Å; S239-G243 PolarHBondContact O-N 3.34Å; S239-T244 WeakPolarHBondContact CA-OG1 3.49Å; S239-T244 PolarHBondContact O-N 3.06Å; S239-L246 WeakPolarHBondContact OG-CB 3.45Å
240	K	98.6	Very high	98.6	Very high	189 Å²	189	59.4 Å²	59.4	82%	0.822	32%	0.316	S	S	*	.	H	α-helix	trans	-62.4	-44.4	173.6	-174.3	179.2	179.7	-179.3	0	111.9	Q236 R237 L238 H242 G243	Q236-K240 PolarHBondContact O-N 3.27Å; R237-K240 PolarHBondContact O-N 2.89Å; L238-K240 PolarHBondContact O-N 3.22Å; K240-H242 VanDerWaalsContact C-N 3.31Å; K240-H242 PolarHBondContact O-N 2.83Å; K240-G243 PolarHBondContact O-N 3.25Å
241	Q	98.4	Very high	98.6	Very high	118 Å²	118	61.1 Å²	61.1	55%	0.551	32%	0.316	S	S	*	.	H	α-helix	trans	-60.6	-39.6	179.6	177.8	179.8	-19.9	0	0	112.4	R237 L238	R237-Q241 WeakPolarHBondContact O-CB 3.29Å; R237-Q241 PolarHBondContact O-N 3.01Å; L238-Q241 PolarHBondContact O-N 3.27Å
242	H	98.3	Very high	98.6	Very high	66 Å²	66	61.8 Å²	61.8	31%	0.306	32%	0.32	S	S	.	.	H	α-helix	trans	-99.6	3.7	-175.9	-70.2	-80	0	0	0	114.3	S52 A211 L238 S239 K240 T244	S52-H242 PolarHBondContact OG-CE1 3.47Å; S52-H242 VanDerWaalsContact OG-CE1 3.22Å; A211-H242 HydrophobicContact CB-CB 4.37Å; A211-H242 WeakPolarHBondContact O-CB 3.49Å; L238-H242 PolarHBondContact O-CD2 3.02Å; L238-H242 VanDerWaalsContact O-CD2 3.32Å; L238-H242 PolarHBondContact O-N 2.95Å; S239-H242 PolarHBondContact O-N 2.72Å; K240-H242 VanDerWaalsContact C-N 3.31Å; K240-H242 PolarHBondContact O-N 2.83Å; H242-T244 VanDerWaalsContact C-N 3.29Å; H242-T244 PolarHBondContact O-N 3.27Å
243	G	98.4	Very high	98.6	Very high	67 Å²	67	64.3 Å²	64.3	69%	0.691	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	29.9	179.7	0	0	0	0	0	114	S239 K240	S239-G243 PolarHBondContact O-N 3.34Å; K240-G243 PolarHBondContact O-N 3.25Å
244	T	98.8	Very high	98.6	Very high	18 Å²	18	64 Å²	64	11%	0.11	33%	0.33	C	S	.	.			trans	-102.2	170.2	177.1	53.7	0	0	0	0	110.9	A211 S239 H242	A211-T244 WeakPolarHBondContact CA-OG1 3.35Å; A211-T244 VanDerWaalsContact CB-OG1 3.29Å; A211-T244 WeakPolarHBondContact CB-OG1 3.24Å; S239-T244 WeakPolarHBondContact CA-OG1 3.49Å; S239-T244 PolarHBondContact O-N 3.06Å; H242-T244 VanDerWaalsContact C-N 3.29Å; H242-T244 PolarHBondContact O-N 3.27Å
245	Q	98.5	Very high	98.6	Very high	117 Å²	117	62.4 Å²	62.4	55%	0.547	32%	0.323	S	S	.	.			trans	-104.9	134.1	179.6	-68.3	-178.8	-7.3	0	0	109.1	H216 L217	H216-Q245 WeakPolarHBondContact CA-O 3.41Å; H216-Q245 HydrophobicContact CB-CB 4.26Å; H216-Q245 PolarHBondContact ND1-N 3.28Å; L217-Q245 PolarHBondContact N-O 3.26Å
246	L	98.8	Very high	98.6	Very high	36 Å²	36	62.4 Å²	62.4	19%	0.188	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.4	166.4	177.3	62.6	0	0	0	108.1	L217 V219 A235 Q236 S239 L248	L217-L246 HydrophobicContact CB-CD1 4.02Å; L217-L246 HydrophobicContact CD2-CD1 4.07Å; L217-L246 HydrophobicContact CG-CD1 4.18Å; L217-L246 CarbonylContact O-C 3.55Å; L217-L246 VanDerWaalsContact O-CA 3.27Å; L217-L246 WeakPolarHBondContact O-CA 3.48Å; V219-L246 HydrophobicContact CG2-CD1 4.32Å; A235-L246 HydrophobicContact CB-CD2 3.68Å; Q236-L246 HydrophobicContact CG-CD2 3.83Å; S239-L246 WeakPolarHBondContact OG-CB 3.45Å; L246-L248 HydrophobicContact CD1-CD2 4.05Å; L246-L248 HydrophobicContact CG-CD2 4.34Å
247	V	98.8	Very high	98.6	Very high	44 Å²	44	63.2 Å²	63.2	27%	0.267	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127	176.3	-178.4	0	0	0	0	108.3	L217 K218 V219	L217-V247 PolarHBondContact O-N 3.32Å; K218-V247 CarbonylContact C-O 3.54Å; K218-V247 WeakPolarHBondContact CA-O 3.48Å; K218-V247 HydrophobicContact CB-CB 4.44Å; K218-V247 HydrophobicContact CG-CB 4.12Å; K218-V247 HydrophobicContact CG-CG2 4.3Å; V219-V247 PolarHBondContact N-O 3.18Å
248	L	98.8	Very high	98.6	Very high	75 Å²	75	58.8 Å²	58.8	39%	0.393	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.3	171.6	-53.1	-179.3	0	0	0	107.8	V219 T232 L246	V219-L248 HydrophobicContact CB-CD2 3.63Å; V219-L248 HydrophobicContact CG1-CD2 4.17Å; V219-L248 HydrophobicContact CG2-CD2 3.77Å; T232-L248 HydrophobicContact CG2-CD1 3.61Å; L246-L248 HydrophobicContact CD1-CD2 4.05Å; L246-L248 HydrophobicContact CG-CD2 4.34Å
249	T	98.7	Very high	98.6	Very high	24 Å²	24	58.6 Å²	58.6	15%	0.147	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	172.7	-179.9	-176.6	0	0	0	0	110.3	V219 A220 T221 D251 E254 A255	V219-T249 WeakPolarHBondContact O-CG2 3.35Å; V219-T249 PolarHBondContact O-N 2.71Å; A220-T249 WeakPolarHBondContact CA-O 3.38Å; A220-T249 HydrophobicContact CB-CG2 4.18Å; T221-T249 PolarHBondContact N-O 3.37Å; T221-T249 VanDerWaalsContact N-O 3.15Å; T249-D251 WeakPolarHBondContact CG2-O 3.44Å; T249-D251 PolarHBondContact OG1-N 3.48Å; T249-D251 VanDerWaalsContact OG1-N 3.16Å; T249-E254 VanDerWaalsContact CB-OE2 3.3Å; T249-E254 WeakPolarHBondContact CB-OE2 3.35Å; T249-E254 HydrophobicContact CG2-CB 4.27Å; T249-E254 HydrophobicContact CG2-CG 4.47Å; T249-E254 PolarHBondContact OG1-OE2 2.84Å; T249-A255 HydrophobicContact CG2-CB 4.07Å
250	S	98.3	Very high	98.6	Very high	59 Å²	59	58.6 Å²	58.6	41%	0.413	32%	0.316	S	S	.	.	S	Bend	trans	-113.6	11.6	169.7	58.6	0	0	0	0	112.3	Y286	S250-Y286 VanDerWaalsContact C-OH 3.26Å; S250-Y286 WeakPolarHBondContact CA-OH 3.47Å; S250-Y286 PolarHBondContact O-OH 3.33Å
251	D	98.5	Very high	98.6	Very high	76 Å²	76	49.6 Å²	49.6	41%	0.406	28%	0.276	S	S	.	.			trans	-109	110.6	175.2	-174.6	-18.2	0	0	0	110.7	T249 M253 E254 A255	T249-D251 WeakPolarHBondContact CG2-O 3.44Å; T249-D251 PolarHBondContact OG1-N 3.48Å; T249-D251 VanDerWaalsContact OG1-N 3.16Å; D251-M253 PolarHBondContact O-N 2.97Å; D251-M253 WeakPolarHBondContact OD1-CA 3.48Å; D251-M253 WeakPolarHBondContact OD1-CB 3.29Å; D251-M253 PolarHBondContact OD1-N 2.81Å; D251-E254 HydrophobicContact CB-CB 3.83Å; D251-E254 PolarHBondContact O-N 3.3Å; D251-E254 PolarHBondContact OD1-N 2.8Å; D251-A255 PolarHBondContact O-N 3.41Å; D251-A255 VanDerWaalsContact O-N 3.17Å
252	P	98.7	Very high	98.7	Very high	14 Å²	14	44 Å²	44	9%	0.091	25%	0.25	C	S	.	.	H	α-helix	trans	-53.8	-36.7	174.7	-30.2	38.4	0	0	0	114.5	I196 A256 Y286	I196-P252 HydrophobicContact CD1-CB 4.37Å; I196-P252 HydrophobicContact CG2-CB 3.77Å; I196-P252 HydrophobicContact CG2-CG 4.11Å; P252-A256 VanDerWaalsContact O-CB 3.31Å; P252-A256 WeakPolarHBondContact O-CB 3.3Å; P252-A256 PolarHBondContact O-N 3.01Å; P252-Y286 HydrophobicContact CG-CD1 3.77Å; P252-Y286 HydrophobicContact CG-CD2 3.96Å; P252-Y286 HydrophobicContact CG-CE1 3.83Å; P252-Y286 HydrophobicContact CG-CE2 4Å; P252-Y286 HydrophobicContact CG-CG 3.82Å
253	M	98.6	Very high	98.7	Very high	71 Å²	71	41 Å²	41	35%	0.35	24%	0.236	S	C	.	.	H	α-helix	trans	-74.8	-35.2	-177.5	-61.2	-58.7	-71.6	0	0	111.3	D251 A256 H257 T292 V295	D251-M253 PolarHBondContact O-N 2.97Å; D251-M253 WeakPolarHBondContact OD1-CA 3.48Å; D251-M253 WeakPolarHBondContact OD1-CB 3.29Å; D251-M253 PolarHBondContact OD1-N 2.81Å; M253-A256 PolarHBondContact O-N 3.5Å; M253-H257 WeakPolarHBondContact O-CB 3.48Å; M253-H257 PolarHBondContact O-N 3.26Å; M253-T292 HydrophobicContact SD-CG2 4.5Å; M253-V295 HydrophobicContact CE-CB 4.16Å; M253-V295 HydrophobicContact CE-CG1 3.48Å; M253-V295 VanDerWaalsContact CE-CG1 3.48Å; M253-V295 HydrophobicContact CE-CG2 3.54Å; M253-V295 HydrophobicContact SD-CG2 4.3Å
254	E	98.6	Very high	98.7	Very high	98 Å²	98	37.8 Å²	37.8	46%	0.458	20%	0.204	S	C	.	.	H	α-helix	trans	-63.9	-43.6	173	-173.9	-173.2	-179.2	0	0	111.4	T249 D251 H257	T249-E254 VanDerWaalsContact CB-OE2 3.3Å; T249-E254 WeakPolarHBondContact CB-OE2 3.35Å; T249-E254 HydrophobicContact CG2-CB 4.27Å; T249-E254 HydrophobicContact CG2-CG 4.47Å; T249-E254 PolarHBondContact OG1-OE2 2.84Å; D251-E254 HydrophobicContact CB-CB 3.83Å; D251-E254 PolarHBondContact O-N 3.3Å; D251-E254 PolarHBondContact OD1-N 2.8Å; E254-H257 PolarHBondContact O-N 2.93Å
255	A	98.8	Very high	98.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-43.2	175.5	0	0	0	0	0	111.7	S194 I196 K218 A220 T249 D251 H257 S259	S194-A255 WeakPolarHBondContact CB-O 3.04Å; S194-A255 WeakPolarHBondContact OG-CB 3.27Å; S194-A255 PolarHBondContact OG-O 3.42Å; I196-A255 HydrophobicContact CG1-CB 4.41Å; K218-A255 HydrophobicContact CB-CB 4.2Å; K218-A255 WeakPolarHBondContact CD-O 3.49Å; A220-A255 HydrophobicContact CB-CB 3.67Å; T249-A255 HydrophobicContact CG2-CB 4.07Å; D251-A255 PolarHBondContact O-N 3.41Å; D251-A255 VanDerWaalsContact O-N 3.17Å; A255-H257 VanDerWaalsContact C-N 3.3Å; A255-H257 PolarHBondContact O-N 3.07Å; A255-S259 PolarHBondContact O-OG 2.84Å
256	A	98.8	Very high	98.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.6	-30	178.6	0	0	0	0	0	113.3	S194 I196 P252 M253 G258 S259 L262 T292 V295 A296	S194-A256 PolarHBondContact OG-N 3.46Å; I196-A256 HydrophobicContact CD1-CB 4.18Å; P252-A256 VanDerWaalsContact O-CB 3.31Å; P252-A256 WeakPolarHBondContact O-CB 3.3Å; P252-A256 PolarHBondContact O-N 3.01Å; M253-A256 PolarHBondContact O-N 3.5Å; A256-G258 PolarHBondContact O-N 3.06Å; A256-G258 VanDerWaalsContact O-N 3.15Å; A256-S259 VanDerWaalsContact O-CB 3.29Å; A256-S259 WeakPolarHBondContact O-CB 3.39Å; A256-S259 PolarHBondContact O-N 3.2Å; A256-S259 PolarHBondContact O-OG 3.17Å; A256-L262 HydrophobicContact CB-CD2 3.93Å; A256-T292 HydrophobicContact CB-CG2 3.64Å; A256-V295 HydrophobicContact CB-CG2 3.67Å; A256-A296 WeakPolarHBondContact O-CA 3.22Å
257	H	98.8	Very high	98	Very high	122 Å²	122	31.3 Å²	31.3	57%	0.565	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	118.7	-172.1	-178.3	-91.4	0	0	0	112.8	K218 M253 E254 A255 S259 V295	K218-H257 PolarHBondContact NZ-O 3.06Å; M253-H257 WeakPolarHBondContact O-CB 3.48Å; M253-H257 PolarHBondContact O-N 3.26Å; E254-H257 PolarHBondContact O-N 2.93Å; A255-H257 VanDerWaalsContact C-N 3.3Å; A255-H257 PolarHBondContact O-N 3.07Å; H257-S259 PolarHBondContact O-N 2.99Å; H257-V295 CarbonylContact C-O 3.53Å; H257-V295 VanDerWaalsContact CA-O 3.31Å; H257-V295 WeakPolarHBondContact CA-O 3.37Å
258	G	98.6	Very high	97.2	Very high	26 Å²	26	29.8 Å²	29.8	27%	0.268	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	14.2	179.3	0	0	0	0	0	115	A256 V295 K297	A256-G258 PolarHBondContact O-N 3.06Å; A256-G258 VanDerWaalsContact O-N 3.15Å; G258-V295 PolarHBondContact N-O 2.8Å; G258-K297 WeakPolarHBondContact O-CE 3.18Å; G258-K297 WeakPolarHBondContact O-CG 3.26Å
259	S	98.8	Very high	96.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.			trans	-79.5	149.8	-179.6	-66.6	0	0	0	0	112.5	S194 A255 A256 H257 K297	S194-S259 WeakPolarHBondContact CB-OG 3.29Å; A255-S259 PolarHBondContact O-OG 2.84Å; A256-S259 VanDerWaalsContact O-CB 3.29Å; A256-S259 WeakPolarHBondContact O-CB 3.39Å; A256-S259 PolarHBondContact O-N 3.2Å; A256-S259 PolarHBondContact O-OG 3.17Å; H257-S259 PolarHBondContact O-N 2.99Å; S259-K297 WeakPolarHBondContact O-CB 3.4Å; S259-K297 PolarHBondContact O-N 2.82Å
260	N	98.9	Very high	94.7	Very high	10 Å²	10	30.6 Å²	30.6	5%	0.053	17%	0.167	C	C	.	.	S	Bend	trans	-84.3	-39.3	173.3	-70	91.5	0	0	0	111.1	Y185 L191 T192 K297 W300 T301	Y185-N260 PolarHBondContact OH-O 3Å; L191-N260 HydrophobicContact CB-CB 4.48Å; L191-N260 HydrophobicContact CD2-CB 4.02Å; T192-N260 PolarHBondContact N-OD1 3.45Å; T192-N260 WeakPolarHBondContact O-CA 3.47Å; T192-N260 WeakPolarHBondContact O-CB 3.33Å; T192-N260 PolarHBondContact O-N 3.18Å; N260-K297 WeakPolarHBondContact ND2-CD 3.42Å; N260-K297 PolarHBondContact OD1-NZ 3.41Å; N260-W300 CarbonylContact O-C 3.52Å; N260-W300 WeakPolarHBondContact O-CA 3.1Å; N260-T301 PolarHBondContact O-N 2.96Å
261	V	98.9	Very high	93.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.7	-173.7	-168.9	0	0	0	0	108.7	L181 Y185 T192 V193 S194 V263 T301 L303	L181-V261 HydrophobicContact CD1-CG1 4.4Å; L181-V261 HydrophobicContact CD1-CG2 3.99Å; L181-V261 HydrophobicContact CD2-CB 4.35Å; L181-V261 HydrophobicContact CD2-CG1 3.87Å; L181-V261 HydrophobicContact CD2-CG2 3.5Å; L181-V261 HydrophobicContact CG-CG2 4.38Å; Y185-V261 HydrophobicContact CE2-CG2 4.04Å; T192-V261 PolarHBondContact O-N 3.05Å; T192-V261 VanDerWaalsContact O-N 3.07Å; V193-V261 HydrophobicContact CG2-CB 4.1Å; V193-V261 HydrophobicContact CG2-CG2 4.2Å; S194-V261 PolarHBondContact N-O 2.95Å; V261-V263 HydrophobicContact CG1-CG2 3.81Å; V261-T301 WeakPolarHBondContact CA-O 3.38Å; V261-L303 HydrophobicContact CG1-CD1 3.88Å; V261-L303 HydrophobicContact CG1-CG 3.97Å
262	L	98.9	Very high	92.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.9	169.6	-58.4	-175.4	0	0	0	108.7	A256 I288 T292 A296 W300 T301 F302 L303	A256-L262 HydrophobicContact CB-CD2 3.93Å; L262-I288 HydrophobicContact CB-CD1 4.26Å; L262-I288 HydrophobicContact CD1-CG2 4.26Å; L262-T292 HydrophobicContact CD1-CG2 4.16Å; L262-A296 HydrophobicContact CD1-CB 4.42Å; L262-A296 HydrophobicContact CD2-CB 4.26Å; L262-A296 HydrophobicContact CG-CB 4.47Å; L262-W300 HydrophobicContact CD1-CD2 4.37Å; L262-W300 HydrophobicContact CD1-CE3 3.87Å; L262-W300 HydrophobicContact CD1-CZ3 4.07Å; L262-W300 HydrophobicContact CG-CE3 4.17Å; L262-T301 PolarHBondContact N-O 2.87Å; L262-F302 HydrophobicContact CB-CD2 4.32Å; L262-F302 CarbonylContact O-C 3.58Å; L262-F302 VanDerWaalsContact O-CA 3.31Å; L262-F302 WeakPolarHBondContact O-CA 3.49Å; L262-F302 WeakPolarHBondContact O-CD2 3.45Å; L262-L303 PolarHBondContact O-N 3.44Å
263	V	98.9	Very high	91.3	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.4	-176.6	-169	0	0	0	0	109.1	V193 S194 W195 I196 F206 V261 L303	V193-V263 HydrophobicContact CG1-CG2 3.65Å; S194-V263 PolarHBondContact O-N 3Å; W195-V263 WeakPolarHBondContact CA-O 3.31Å; W195-V263 HydrophobicContact CE3-CB 4.12Å; W195-V263 HydrophobicContact CE3-CG1 3.71Å; W195-V263 HydrophobicContact CZ3-CG1 3.8Å; I196-V263 PolarHBondContact N-O 2.95Å; F206-V263 HydrophobicContact CE2-CG1 3.97Å; F206-V263 HydrophobicContact CZ-CG1 4.35Å; F206-V263 HydrophobicContact CZ-CG2 4.43Å; V261-V263 HydrophobicContact CG1-CG2 3.81Å; V263-L303 WeakPolarHBondContact CA-O 3.48Å; V263-L303 HydrophobicContact CG1-CB 4.26Å; V263-L303 HydrophobicContact CG2-CB 4.13Å; V263-L303 HydrophobicContact CG2-CD1 4.39Å
264	T	98.7	Very high	90.5	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	173.7	169.1	-163.8	0	0	0	0	110.1	I196 I288 F302 L303 H304 E312 V313	I196-T264 WeakPolarHBondContact O-CB 3.42Å; I196-T264 PolarHBondContact O-OG1 2.81Å; T264-I288 HydrophobicContact CG2-CD1 3.93Å; T264-I288 HydrophobicContact CG2-CG1 4.38Å; T264-F302 HydrophobicContact CG2-CE2 3.88Å; T264-F302 HydrophobicContact CG2-CZ 3.9Å; T264-L303 PolarHBondContact N-O 3.13Å; T264-H304 PolarHBondContact O-CD2 3.15Å; T264-E312 HydrophobicContact CG2-CB 3.95Å; T264-E312 HydrophobicContact CG2-CG 4.16Å; T264-V313 HydrophobicContact CG2-CB 4.25Å
265	D	97.5	Very high	89.8	Confident	9 Å²	9	38.2 Å²	38.2	5%	0.048	21%	0.208	C	C	.	.			trans	-149.9	169.3	178.2	-173.9	20	0	0	0	109.2	W195 N200 W267 H304 C305 E312	W195-D265 HydrophobicContact CH2-CB 3.56Å; W195-D265 HydrophobicContact CZ2-CB 4.16Å; W195-D265 HydrophobicContact CZ3-CB 4.4Å; N200-D265 PolarHBondContact ND2-OD2 2.96Å; D265-W267 VanDerWaalsContact O-CD1 3.24Å; D265-W267 PolarHBondContact O-N 3.22Å; D265-H304 IonicContact OD1-CE1 3.42Å; D265-C305 PolarHBondContact OD1-SG 2.97Å; D265-E312 WeakPolarHBondContact O-CB 3.33Å
266	T	93.4	Very high	89.3	Confident	13 Å²	13	42.8 Å²	42.8	8%	0.08	23%	0.228	C	C	.	.			trans	-54.9	123	176	178.3	0	0	0	0	110.8	V268 K309	T266-V268 PolarHBondContact O-N 3.47Å; T266-V268 PolarHBondContact OG1-N 3.41Å; T266-V268 PolarHBondContact OG1-O 3.02Å; T266-K309 PolarHBondContact OG1-NZ 3.49Å
267	W	89.9	Confident	88.7	Confident	13 Å²	13	51.7 Å²	51.7	5%	0.049	27%	0.267	C	S	.	.	S	Bend	trans	-69.8	-21.1	177.7	-52.7	-19.6	0	0	0	113.1	D265 R279 L280 F283 Q287 E311 E312	D265-W267 VanDerWaalsContact O-CD1 3.24Å; D265-W267 PolarHBondContact O-N 3.22Å; W267-R279 WeakPolarHBondContact O-CD 3.39Å; W267-R279 PolarHBondContact O-NH1 2.9Å; W267-L280 HydrophobicContact CE3-CD2 4.27Å; W267-F283 HydrophobicContact CB-CD1 3.67Å; W267-F283 HydrophobicContact CB-CE1 3.78Å; W267-F283 HydrophobicContact CB-CG 4.1Å; W267-F283 HydrophobicContact CB-CZ 4.31Å; W267-F283 AromaticContact CD1-CD1 3.54Å; W267-F283 AromaticContact CD1-CE1 3.78Å; W267-F283 HydrophobicContact CD2-CB 3.63Å; W267-F283 AromaticContact CD2-CD1 3.46Å; W267-F283 HydrophobicContact CD2-CD1 3.46Å; W267-F283 VanDerWaalsContact CD2-CD1 3.46Å; W267-F283 HydrophobicContact CD2-CE1 4.36Å; W267-F283 AromaticContact CD2-CG 3.81Å; W267-F283 HydrophobicContact CD2-CG 3.81Å; W267-F283 AromaticContact CE2-CD1 3.8Å; W267-F283 HydrophobicContact CE3-CB 3.31Å; W267-F283 HydrophobicContact CE3-CD1 4.06Å; W267-F283 AromaticContact CE3-CG 3.92Å; W267-F283 HydrophobicContact CE3-CG 3.92Å; W267-F283 HydrophobicContact CG-CB 4.28Å; W267-F283 AromaticContact CG-CD1 3.26Å; W267-F283 HydrophobicContact CG-CD1 3.26Å; W267-F283 AromaticContact CG-CE1 3.7Å; W267-F283 HydrophobicContact CG-CE1 3.7Å; W267-F283 AromaticContact CG-CG 3.92Å; W267-F283 HydrophobicContact CG-CG 3.92Å; W267-F283 HydrophobicContact CH2-CB 4.03Å; W267-F283 WeakPolarHBondContact CH2-O 3.44Å; W267-F283 HydrophobicContact CZ2-CB 4.31Å; W267-F283 HydrophobicContact CZ3-CB 3.53Å; W267-F283 AromaticContact NE1-CD1 3.85Å; W267-Q287 HydrophobicContact CH2-CB 4.2Å; W267-Q287 HydrophobicContact CZ2-CB 4.38Å; W267-E311 HydrophobicContact CE3-CB 4.04Å; W267-E311 WeakPolarHBondContact CH2-O 3.37Å; W267-E311 VanDerWaalsContact CZ2-O 3.24Å; W267-E311 WeakPolarHBondContact CZ2-O 3.36Å; W267-E311 HydrophobicContact CZ3-CB 3.97Å; W267-E312 HydrophobicContact CZ2-CB 4.33Å
268	V	83.3	Confident	88.4	Confident	12 Å²	12	52.1 Å²	52.1	7%	0.073	26%	0.264	C	S	.	.	S	Bend	trans	-115.4	99.4	177.6	-175.5	0	0	0	0	107.7	T266 Q272 K276 R279 K309	T266-V268 PolarHBondContact O-N 3.47Å; T266-V268 PolarHBondContact OG1-N 3.41Å; T266-V268 PolarHBondContact OG1-O 3.02Å; V268-Q272 HydrophobicContact CG1-CB 4.23Å; V268-K276 HydrophobicContact CG1-CB 4.26Å; V268-K276 HydrophobicContact CG2-CB 4.32Å; V268-K276 HydrophobicContact CG2-CG 4.18Å; V268-R279 HydrophobicContact CG2-CB 4.15Å; V268-K309 PolarHBondContact O-NZ 2.97Å
269	S	76.2	Confident	88.2	Confident	28 Å²	28	51.6 Å²	51.6	20%	0.196	25%	0.253	C	S	.	.			trans	-73	161.3	178.2	-71.8	0	0	0	0	111.5	G271 Q272	S269-G271 PolarHBondContact O-N 3.37Å; S269-Q272 WeakPolarHBondContact O-CB 3.17Å; S269-Q272 PolarHBondContact O-N 3.46Å
270	M	68.5	Low	87.8	Confident	88 Å²	88	54.5 Å²	54.5	43%	0.433	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	119.4	173.3	-70.6	-175.7	-69.6	0	0	110.3	K90	K90-M270 HydrophobicContact CB-CE 4.42Å; K90-M270 PolarHBondContact NZ-O 3.15Å
271	G	71.6	Confident	87.6	Confident	63 Å²	63	62 Å²	62	65%	0.649	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.3	-1.5	-174.3	0	0	0	0	0	114.5	S269 E273	S269-G271 PolarHBondContact O-N 3.37Å; G271-E273 WeakPolarHBondContact CA-OE2 3.27Å; G271-E273 PolarHBondContact N-OE1 2.85Å; G271-E273 PolarHBondContact N-OE2 2.74Å
272	Q	75.1	Confident	87.5	Confident	49 Å²	49	65 Å²	65	23%	0.229	32%	0.317	C	S	.	.			trans	-112.1	22.5	179.5	-64.6	176	-26.2	0	0	112.9	V268 S269 E274 E275 K276 R279	V268-Q272 HydrophobicContact CG1-CB 4.23Å; S269-Q272 WeakPolarHBondContact O-CB 3.17Å; S269-Q272 PolarHBondContact O-N 3.46Å; Q272-E274 VanDerWaalsContact C-N 3.27Å; Q272-E274 PolarHBondContact O-N 3.39Å; Q272-E275 PolarHBondContact O-N 3.43Å; Q272-K276 PolarHBondContact O-N 2.93Å; Q272-R279 VanDerWaalsContact NE2-NH2 3.16Å
273	E	76.9	Confident	87.4	Confident	113 Å²	113	65 Å²	65	53%	0.528	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-61.9	-34.8	-172.8	-69.2	74	-165.1	0	0	112.6	G271 E275 K276	G271-E273 WeakPolarHBondContact CA-OE2 3.27Å; G271-E273 PolarHBondContact N-OE1 2.85Å; G271-E273 PolarHBondContact N-OE2 2.74Å; E273-E275 VanDerWaalsContact C-N 3.25Å; E273-E275 PolarHBondContact O-N 3.02Å; E273-K276 WeakPolarHBondContact O-CB 3.42Å; E273-K276 PolarHBondContact O-N 2.86Å
274	E	82.3	Confident	87.2	Confident	187 Å²	187	72.6 Å²	72.6	87%	0.874	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-65.4	-27.9	175.9	-62.7	-56.9	143.2	0	0	112.5	Q272 K276	Q272-E274 VanDerWaalsContact C-N 3.27Å; Q272-E274 PolarHBondContact O-N 3.39Å; E274-K276 VanDerWaalsContact C-N 3.34Å
275	E	84.1	Confident	87.1	Confident	65 Å²	65	75.2 Å²	75.2	30%	0.304	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-86.3	-6.6	179.1	-53.4	-163.6	147.7	0	0	113.3	Q272 E273 K277 R278 R279	Q272-E275 PolarHBondContact O-N 3.43Å; E273-E275 VanDerWaalsContact C-N 3.25Å; E273-E275 PolarHBondContact O-N 3.02Å; E275-K277 VanDerWaalsContact C-N 3.3Å; E275-K277 PolarHBondContact O-N 2.95Å; E275-K277 VanDerWaalsContact O-N 3.15Å; E275-R278 PolarHBondContact O-N 3.5Å; E275-R278 IonicContact OE1-CZ 3.91Å; E275-R278 IonicContact OE1-NH2 2.83Å; E275-R278 PolarHBondContact OE1-NH2 2.73Å; E275-R278 IonicContact OE2-NH2 3.11Å; E275-R278 PolarHBondContact OE2-NH2 2.89Å; E275-R278 VanDerWaalsContact OE2-NH2 3.11Å; E275-R279 HydrophobicContact CB-CG 4.31Å; E275-R279 PolarHBondContact O-N 2.87Å; E275-R279 IonicContact OE2-CZ 3.22Å; E275-R279 IonicContact OE2-NE 2.69Å; E275-R279 PolarHBondContact OE2-NE 2.79Å; E275-R279 IonicContact OE2-NH2 2.81Å; E275-R279 PolarHBondContact OE2-NH2 3.44Å
276	K	86.7	Confident	87.2	Confident	96 Å²	96	75.6 Å²	75.6	42%	0.417	38%	0.38	S	S	.	.	H	α-helix	trans	-50	-48.4	-170	177.6	171.4	-174.8	-178.1	0	112.5	V268 Q272 E273 E274 R278 R279 L280	V268-K276 HydrophobicContact CG1-CB 4.26Å; V268-K276 HydrophobicContact CG2-CB 4.32Å; V268-K276 HydrophobicContact CG2-CG 4.18Å; Q272-K276 PolarHBondContact O-N 2.93Å; E273-K276 WeakPolarHBondContact O-CB 3.42Å; E273-K276 PolarHBondContact O-N 2.86Å; E274-K276 VanDerWaalsContact C-N 3.34Å; K276-R278 VanDerWaalsContact C-N 3.35Å; K276-R278 PolarHBondContact O-N 3.31Å; K276-R279 PolarHBondContact O-N 3.2Å; K276-L280 HydrophobicContact CG-CD1 3.99Å; K276-L280 HydrophobicContact CG-CG 4.35Å; K276-L280 VanDerWaalsContact O-CG 3.26Å; K276-L280 WeakPolarHBondContact O-CG 3.33Å; K276-L280 PolarHBondContact O-N 3.42Å
277	K	87.6	Confident	87.4	Confident	188 Å²	188	78.4 Å²	78.4	82%	0.817	39%	0.392	S	S	*	.	H	α-helix	trans	-62.3	-41.1	-177.8	-70.7	-176.7	-178.4	175.1	0	112.5	E275 K281	E275-K277 VanDerWaalsContact C-N 3.3Å; E275-K277 PolarHBondContact O-N 2.95Å; E275-K277 VanDerWaalsContact O-N 3.15Å; K277-K281 PolarHBondContact O-N 3.35Å
278	R	92.1	Very high	87.9	Confident	130 Å²	130	77.8 Å²	77.8	49%	0.491	39%	0.39	S	S	.	.	H	α-helix	trans	-66.9	-50.5	178.1	-177.2	-176.2	70.9	-159.8	-5.8	110.2	Y225 E275 K276 L280 K281 D282	Y225-R278 PolarHBondContact OH-NE 3.11Å; E275-R278 PolarHBondContact O-N 3.5Å; E275-R278 IonicContact OE1-CZ 3.91Å; E275-R278 IonicContact OE1-NH2 2.83Å; E275-R278 PolarHBondContact OE1-NH2 2.73Å; E275-R278 IonicContact OE2-NH2 3.11Å; E275-R278 PolarHBondContact OE2-NH2 2.89Å; E275-R278 VanDerWaalsContact OE2-NH2 3.11Å; K276-R278 VanDerWaalsContact C-N 3.35Å; K276-R278 PolarHBondContact O-N 3.31Å; R278-L280 PolarHBondContact O-N 2.96Å; R278-K281 WeakPolarHBondContact O-CB 3.39Å; R278-K281 PolarHBondContact O-N 2.79Å; R278-D282 WeakPolarHBondContact CG-OD2 3.42Å; R278-D282 PolarHBondContact O-N 2.79Å
279	R	93.3	Very high	88.6	Confident	15 Å²	15	78.4 Å²	78.4	6%	0.057	39%	0.394	C	S	.	.	H	α-helix	trans	-57.8	-44.5	179.7	-75.3	175.1	168	-92.2	-6.6	112.5	D198 Y225 W267 V268 Q272 E275 K276 K281 D282 F283	D198-R279 VanDerWaalsContact CG-NH1 3.31Å; D198-R279 IonicContact OD1-NH1 2.88Å; D198-R279 IonicContact OD2-CZ 3.52Å; D198-R279 IonicContact OD2-NH1 3.43Å; D198-R279 PolarHBondContact OD2-NH1 3.45Å; D198-R279 IonicContact OD2-NH2 3.61Å; Y225-R279 HydrophobicContact CE1-CG 3.77Å; Y225-R279 VanDerWaalsContact CE1-CZ 3.5Å; W267-R279 WeakPolarHBondContact O-CD 3.39Å; W267-R279 PolarHBondContact O-NH1 2.9Å; V268-R279 HydrophobicContact CG2-CB 4.15Å; Q272-R279 VanDerWaalsContact NE2-NH2 3.16Å; E275-R279 HydrophobicContact CB-CG 4.31Å; E275-R279 PolarHBondContact O-N 2.87Å; E275-R279 IonicContact OE2-CZ 3.22Å; E275-R279 IonicContact OE2-NE 2.69Å; E275-R279 PolarHBondContact OE2-NE 2.79Å; E275-R279 IonicContact OE2-NH2 2.81Å; E275-R279 PolarHBondContact OE2-NH2 3.44Å; K276-R279 PolarHBondContact O-N 3.2Å; R279-K281 PolarHBondContact O-N 3.45Å; R279-D282 PolarHBondContact O-N 2.69Å; R279-F283 HydrophobicContact CB-CD2 4.29Å; R279-F283 HydrophobicContact CB-CE2 4.37Å; R279-F283 HydrophobicContact CG-CE2 4.33Å; R279-F283 VanDerWaalsContact O-CB 3.3Å; R279-F283 WeakPolarHBondContact O-CB 3.44Å; R279-F283 WeakPolarHBondContact O-CD2 3.43Å; R279-F283 PolarHBondContact O-N 3.44Å
280	L	91.7	Very high	89.6	Confident	61 Å²	61	79.7 Å²	79.7	32%	0.319	40%	0.397	S	S	.	.	H	α-helix	trans	-60.4	-31.1	177.2	-69.8	177.9	0	0	0	113.6	W267 K276 R278 E311	W267-L280 HydrophobicContact CE3-CD2 4.27Å; K276-L280 HydrophobicContact CG-CD1 3.99Å; K276-L280 HydrophobicContact CG-CG 4.35Å; K276-L280 VanDerWaalsContact O-CG 3.26Å; K276-L280 WeakPolarHBondContact O-CG 3.33Å; K276-L280 PolarHBondContact O-N 3.42Å; R278-L280 PolarHBondContact O-N 2.96Å; L280-E311 HydrophobicContact CD2-CB 4.09Å; L280-E311 HydrophobicContact CD2-CG 3.68Å
281	K	94.3	Very high	91.1	Very high	167 Å²	167	82.4 Å²	82.4	73%	0.726	41%	0.409	S	S	*	.	H	α-helix	trans	-75.1	-47.2	175	-175	-174.1	175.6	-172.6	0	111.2	K277 R278 R279 F283 H284	K277-K281 PolarHBondContact O-N 3.35Å; R278-K281 WeakPolarHBondContact O-CB 3.39Å; R278-K281 PolarHBondContact O-N 2.79Å; R279-K281 PolarHBondContact O-N 3.45Å; K281-F283 VanDerWaalsContact C-N 3.31Å; K281-F283 PolarHBondContact O-N 3.01Å; K281-H284 VanDerWaalsContact O-CB 3.29Å; K281-H284 WeakPolarHBondContact O-CB 3.33Å; K281-H284 PolarHBondContact O-N 2.63Å
282	D	95.9	Very high	92.3	Very high	65 Å²	65	79.7 Å²	79.7	35%	0.348	38%	0.38	S	S	.	.	H	α-helix	trans	-69	-31.7	-175.5	-61.7	-16.6	0	0	0	112.2	Y225 R278 R279 H284	Y225-D282 HydrophobicContact CE2-CB 3.72Å; Y225-D282 VanDerWaalsContact CE2-OD2 3.29Å; Y225-D282 WeakPolarHBondContact CE2-OD2 3.31Å; Y225-D282 PolarHBondContact OH-OD2 3.24Å; R278-D282 WeakPolarHBondContact CG-OD2 3.42Å; R278-D282 PolarHBondContact O-N 2.79Å; R279-D282 PolarHBondContact O-N 2.69Å; D282-H284 VanDerWaalsContact C-N 3.27Å; D282-H284 PolarHBondContact O-N 2.92Å
283	F	96.9	Very high	93.4	Very high	0 Å²	0	77.4 Å²	77.4	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	9	178.6	-73.5	-116	0	0	0	112.8	D198 P222 Y225 W267 R279 K281 G285 Y286	D198-F283 HydrophobicContact CB-CE1 3.93Å; D198-F283 HydrophobicContact CB-CZ 3.85Å; P222-F283 HydrophobicContact CG-CB 4.49Å; P222-F283 HydrophobicContact CG-CD1 3.82Å; P222-F283 HydrophobicContact CG-CD2 3.79Å; P222-F283 HydrophobicContact CG-CE1 3.92Å; P222-F283 HydrophobicContact CG-CE2 3.89Å; P222-F283 HydrophobicContact CG-CG 3.77Å; P222-F283 HydrophobicContact CG-CZ 3.96Å; Y225-F283 AromaticContact CD1-CE2 3.61Å; Y225-F283 HydrophobicContact CD1-CE2 3.61Å; Y225-F283 AromaticContact CD1-CZ 3.86Å; Y225-F283 HydrophobicContact CD1-CZ 3.86Å; Y225-F283 AromaticContact CD2-CE2 3.98Å; Y225-F283 HydrophobicContact CD2-CE2 3.98Å; Y225-F283 AromaticContact CE1-CE2 3.72Å; Y225-F283 HydrophobicContact CE1-CE2 3.72Å; Y225-F283 HydrophobicContact CE1-CZ 4.37Å; Y225-F283 HydrophobicContact CE2-CE2 4.06Å; Y225-F283 AromaticContact CG-CE2 3.74Å; Y225-F283 HydrophobicContact CG-CE2 3.74Å; Y225-F283 AromaticContact CG-CZ 3.97Å; Y225-F283 HydrophobicContact CG-CZ 3.97Å; Y225-F283 AromaticContact CZ-CE2 3.92Å; W267-F283 HydrophobicContact CB-CD1 3.67Å; W267-F283 HydrophobicContact CB-CE1 3.78Å; W267-F283 HydrophobicContact CB-CG 4.1Å; W267-F283 HydrophobicContact CB-CZ 4.31Å; W267-F283 AromaticContact CD1-CD1 3.54Å; W267-F283 AromaticContact CD1-CE1 3.78Å; W267-F283 HydrophobicContact CD2-CB 3.63Å; W267-F283 AromaticContact CD2-CD1 3.46Å; W267-F283 HydrophobicContact CD2-CD1 3.46Å; W267-F283 VanDerWaalsContact CD2-CD1 3.46Å; W267-F283 HydrophobicContact CD2-CE1 4.36Å; W267-F283 AromaticContact CD2-CG 3.81Å; W267-F283 HydrophobicContact CD2-CG 3.81Å; W267-F283 AromaticContact CE2-CD1 3.8Å; W267-F283 HydrophobicContact CE3-CB 3.31Å; W267-F283 HydrophobicContact CE3-CD1 4.06Å; W267-F283 AromaticContact CE3-CG 3.92Å; W267-F283 HydrophobicContact CE3-CG 3.92Å; W267-F283 HydrophobicContact CG-CB 4.28Å; W267-F283 AromaticContact CG-CD1 3.26Å; W267-F283 HydrophobicContact CG-CD1 3.26Å; W267-F283 AromaticContact CG-CE1 3.7Å; W267-F283 HydrophobicContact CG-CE1 3.7Å; W267-F283 AromaticContact CG-CG 3.92Å; W267-F283 HydrophobicContact CG-CG 3.92Å; W267-F283 HydrophobicContact CH2-CB 4.03Å; W267-F283 WeakPolarHBondContact CH2-O 3.44Å; W267-F283 HydrophobicContact CZ2-CB 4.31Å; W267-F283 HydrophobicContact CZ3-CB 3.53Å; W267-F283 AromaticContact NE1-CD1 3.85Å; R279-F283 HydrophobicContact CB-CD2 4.29Å; R279-F283 HydrophobicContact CB-CE2 4.37Å; R279-F283 HydrophobicContact CG-CE2 4.33Å; R279-F283 VanDerWaalsContact O-CB 3.3Å; R279-F283 WeakPolarHBondContact O-CB 3.44Å; R279-F283 WeakPolarHBondContact O-CD2 3.43Å; R279-F283 PolarHBondContact O-N 3.44Å; K281-F283 VanDerWaalsContact C-N 3.31Å; K281-F283 PolarHBondContact O-N 3.01Å; F283-G285 PolarHBondContact O-N 2.83Å; F283-Y286 VanDerWaalsContact O-CB 3.31Å; F283-Y286 WeakPolarHBondContact O-CB 3.31Å; F283-Y286 PolarHBondContact O-N 2.86Å
284	H	95.6	Very high	94.5	Very high	162 Å²	162	78.1 Å²	78.1	75%	0.75	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	128.6	174.8	-172.4	74.3	0	0	0	110.5	K281 D282	K281-H284 VanDerWaalsContact O-CB 3.29Å; K281-H284 WeakPolarHBondContact O-CB 3.33Å; K281-H284 PolarHBondContact O-N 2.63Å; D282-H284 VanDerWaalsContact C-N 3.27Å; D282-H284 PolarHBondContact O-N 2.92Å
285	G	97.1	Very high	95.2	Very high	56 Å²	56	71.5 Å²	71.5	58%	0.577	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	-3.6	-174.7	0	0	0	0	0	115.4	F283	F283-G285 PolarHBondContact O-N 2.83Å
286	Y	98.5	Very high	95.9	Very high	16 Å²	16	69 Å²	69	6%	0.063	34%	0.34	C	S	.	.			trans	-91	-5.3	178	-77.1	-109.8	0	0	0	114	I196 A220 T221 P222 S250 P252 F283 I288	I196-Y286 HydrophobicContact CG2-CD1 3.83Å; I196-Y286 HydrophobicContact CG2-CG 4.45Å; I196-Y286 WeakPolarHBondContact CG2-O 3.31Å; A220-Y286 HydrophobicContact CB-CE1 4.16Å; T221-Y286 PolarHBondContact O-OH 2.97Å; T221-Y286 VanDerWaalsContact O-OH 3.13Å; P222-Y286 WeakPolarHBondContact CA-OH 3.42Å; P222-Y286 HydrophobicContact CB-CE2 4.26Å; P222-Y286 HydrophobicContact CG-CD1 4.05Å; P222-Y286 HydrophobicContact CG-CD2 4.05Å; P222-Y286 HydrophobicContact CG-CE1 3.76Å; P222-Y286 HydrophobicContact CG-CE2 3.79Å; P222-Y286 HydrophobicContact CG-CG 4.19Å; S250-Y286 VanDerWaalsContact C-OH 3.26Å; S250-Y286 WeakPolarHBondContact CA-OH 3.47Å; S250-Y286 PolarHBondContact O-OH 3.33Å; P252-Y286 HydrophobicContact CG-CD1 3.77Å; P252-Y286 HydrophobicContact CG-CD2 3.96Å; P252-Y286 HydrophobicContact CG-CE1 3.83Å; P252-Y286 HydrophobicContact CG-CE2 4Å; P252-Y286 HydrophobicContact CG-CG 3.82Å; F283-Y286 VanDerWaalsContact O-CB 3.31Å; F283-Y286 WeakPolarHBondContact O-CB 3.31Å; F283-Y286 PolarHBondContact O-N 2.86Å; Y286-I288 PolarHBondContact O-N 3.4Å
287	Q	98.6	Very high	96.5	Very high	73 Å²	73	67.9 Å²	67.9	34%	0.341	34%	0.335	S	S	.	.			trans	-62.3	125.4	177.5	-176.5	-178.9	55.2	0	0	109.7	W267 T289 M310 E311	W267-Q287 HydrophobicContact CH2-CB 4.2Å; W267-Q287 HydrophobicContact CZ2-CB 4.38Å; Q287-T289 HydrophobicContact CG-CG2 4.12Å; Q287-T289 PolarHBondContact O-N 2.95Å; Q287-M310 PolarHBondContact NE2-O 3.26Å; Q287-E311 VanDerWaalsContact CB-O 3.27Å; Q287-E311 WeakPolarHBondContact CB-O 3.29Å; Q287-E311 VanDerWaalsContact CG-O 3.24Å; Q287-E311 WeakPolarHBondContact CG-O 3.45Å
288	I	98.7	Very high	97	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-74.7	122	173.9	-63.4	-173.6	0	0	0	108.9	I196 L262 T264 Y286 T292 F302 E312 V313 D314 V317	I196-I288 HydrophobicContact CB-CD1 4.15Å; I196-I288 HydrophobicContact CB-CG1 4.3Å; I196-I288 HydrophobicContact CD1-CD1 4.14Å; I196-I288 HydrophobicContact CD1-CG1 4.18Å; I196-I288 HydrophobicContact CG2-CG1 4.48Å; L262-I288 HydrophobicContact CB-CD1 4.26Å; L262-I288 HydrophobicContact CD1-CG2 4.26Å; T264-I288 HydrophobicContact CG2-CD1 3.93Å; T264-I288 HydrophobicContact CG2-CG1 4.38Å; Y286-I288 PolarHBondContact O-N 3.4Å; I288-T292 HydrophobicContact CG2-CG2 4.45Å; I288-F302 HydrophobicContact CB-CE2 4.43Å; I288-F302 HydrophobicContact CD1-CD2 4.45Å; I288-F302 HydrophobicContact CD1-CE2 3.97Å; I288-F302 HydrophobicContact CG2-CD2 4.26Å; I288-F302 HydrophobicContact CG2-CE2 4.2Å; I288-E312 PolarHBondContact N-O 2.89Å; I288-V313 HydrophobicContact CB-CB 4.37Å; I288-V313 HydrophobicContact CB-CG2 4.15Å; I288-V313 HydrophobicContact CG2-CG2 4.35Å; I288-V313 WeakPolarHBondContact O-CA 3.2Å; I288-V313 WeakPolarHBondContact O-CG2 3.37Å; I288-D314 PolarHBondContact O-N 3.2Å; I288-D314 VanDerWaalsContact O-N 3.1Å; I288-V317 HydrophobicContact CG2-CG1 4.06Å; I288-V317 HydrophobicContact CG2-CG2 4.46Å
289	T	98.7	Very high	97.2	Very high	24 Å²	24	62.3 Å²	62.3	15%	0.147	33%	0.33	C	S	.	.			trans	-129.3	177.9	176.2	67.8	0	0	0	0	110.1	Q287 Q291 T292 G293 D314	Q287-T289 HydrophobicContact CG-CG2 4.12Å; Q287-T289 PolarHBondContact O-N 2.95Å; T289-Q291 PolarHBondContact O-N 3.02Å; T289-Q291 WeakPolarHBondContact OG1-CB 3.37Å; T289-Q291 PolarHBondContact OG1-N 3.28Å; T289-T292 PolarHBondContact N-OG1 2.94Å; T289-T292 VanDerWaalsContact N-OG1 3.17Å; T289-T292 VanDerWaalsContact O-CB 3.29Å; T289-T292 WeakPolarHBondContact O-CB 3.44Å; T289-T292 PolarHBondContact O-N 2.85Å; T289-T292 PolarHBondContact O-OG1 2.79Å; T289-G293 PolarHBondContact O-N 3.44Å; T289-G293 VanDerWaalsContact O-N 3.11Å; T289-D314 WeakPolarHBondContact CB-OD2 3.48Å; T289-D314 HydrophobicContact CG2-CB 4.42Å
290	M	98.3	Very high	97.5	Very high	55 Å²	55	62 Å²	62	27%	0.271	33%	0.329	S	S	.	.	H	α-helix	trans	-58.8	-26.4	171.9	-71.7	-65.3	176.2	0	0	112.8	G293 N294 W300 Q316 V317	M290-G293 CarbonylContact O-C 3.54Å; M290-G293 WeakPolarHBondContact O-CA 3.27Å; M290-G293 PolarHBondContact O-N 2.74Å; M290-N294 PolarHBondContact O-N 3.37Å; M290-N294 PolarHBondContact O-ND2 2.97Å; M290-N294 PolarHBondContact O-OD1 3.17Å; M290-W300 HydrophobicContact SD-CH2 4.23Å; M290-W300 HydrophobicContact SD-CZ2 3.89Å; M290-Q316 HydrophobicContact CE-CB 4.12Å; M290-Q316 VanDerWaalsContact CE-O 3.25Å; M290-Q316 WeakPolarHBondContact CE-O 3.38Å; M290-Q316 HydrophobicContact CG-CB 4.2Å; M290-V317 HydrophobicContact CE-CG2 4.24Å; M290-V317 HydrophobicContact CG-CG2 4.21Å; M290-V317 HydrophobicContact SD-CG2 4.18Å
291	Q	98.3	Very high	97.8	Very high	145 Å²	145	59.2 Å²	59.2	68%	0.678	31%	0.314	S	S	*	.	H	α-helix	trans	-64.5	-42.3	174.4	-62.9	180	-13.6	0	0	111.3	T289 G293 N294	T289-Q291 PolarHBondContact O-N 3.02Å; T289-Q291 WeakPolarHBondContact OG1-CB 3.37Å; T289-Q291 PolarHBondContact OG1-N 3.28Å; Q291-G293 VanDerWaalsContact C-N 3.3Å; Q291-G293 PolarHBondContact O-N 3.21Å; Q291-N294 WeakPolarHBondContact O-CB 3.24Å; Q291-N294 PolarHBondContact O-N 3.02Å
292	T	98.6	Very high	98	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.043	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-42.7	171.7	-40.1	0	0	0	0	110.8	I196 M253 A256 L262 I288 T289 N294 V295	I196-T292 HydrophobicContact CD1-CG2 3.64Å; M253-T292 HydrophobicContact SD-CG2 4.5Å; A256-T292 HydrophobicContact CB-CG2 3.64Å; L262-T292 HydrophobicContact CD1-CG2 4.16Å; I288-T292 HydrophobicContact CG2-CG2 4.45Å; T289-T292 PolarHBondContact N-OG1 2.94Å; T289-T292 VanDerWaalsContact N-OG1 3.17Å; T289-T292 VanDerWaalsContact O-CB 3.29Å; T289-T292 WeakPolarHBondContact O-CB 3.44Å; T289-T292 PolarHBondContact O-N 2.85Å; T289-T292 PolarHBondContact O-OG1 2.79Å; T292-N294 VanDerWaalsContact C-N 3.3Å; T292-N294 PolarHBondContact O-N 3.41Å; T292-V295 WeakPolarHBondContact O-CG2 3.31Å; T292-V295 PolarHBondContact O-N 3.39Å
293	G	98.1	Very high	98.2	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-30.9	174.7	0	0	0	0	0	114.5	T289 M290 Q291 V295 A296 W300	T289-G293 PolarHBondContact O-N 3.44Å; T289-G293 VanDerWaalsContact O-N 3.11Å; M290-G293 CarbonylContact O-C 3.54Å; M290-G293 WeakPolarHBondContact O-CA 3.27Å; M290-G293 PolarHBondContact O-N 2.74Å; Q291-G293 VanDerWaalsContact C-N 3.3Å; Q291-G293 PolarHBondContact O-N 3.21Å; G293-V295 VanDerWaalsContact C-N 3.29Å; G293-V295 PolarHBondContact O-N 3.25Å; G293-A296 WeakPolarHBondContact O-CB 3Å; G293-A296 PolarHBondContact O-N 3.27Å; G293-W300 VanDerWaalsContact O-CD1 3.24Å; G293-W300 PolarHBondContact O-NE1 3.21Å; G293-W300 VanDerWaalsContact O-NE1 3.13Å
294	N	98.2	Very high	98.3	Very high	128 Å²	128	48.7 Å²	48.7	68%	0.684	27%	0.265	S	S	*	.	H	α-helix	trans	-69.8	-23.4	-177.2	-72	-23.3	0	0	0	113.8	M290 Q291 T292	M290-N294 PolarHBondContact O-N 3.37Å; M290-N294 PolarHBondContact O-ND2 2.97Å; M290-N294 PolarHBondContact O-OD1 3.17Å; Q291-N294 WeakPolarHBondContact O-CB 3.24Å; Q291-N294 PolarHBondContact O-N 3.02Å; T292-N294 VanDerWaalsContact C-N 3.3Å; T292-N294 PolarHBondContact O-N 3.41Å
295	V	98.6	Very high	98.3	Very high	48 Å²	48	41.7 Å²	41.7	29%	0.291	23%	0.234	S	C	.	.	H	α-helix	trans	-91.3	-11.7	174	-61.1	0	0	0	0	112.8	M253 A256 H257 G258 T292 G293	M253-V295 HydrophobicContact CE-CB 4.16Å; M253-V295 HydrophobicContact CE-CG1 3.48Å; M253-V295 VanDerWaalsContact CE-CG1 3.48Å; M253-V295 HydrophobicContact CE-CG2 3.54Å; M253-V295 HydrophobicContact SD-CG2 4.3Å; A256-V295 HydrophobicContact CB-CG2 3.67Å; H257-V295 CarbonylContact C-O 3.53Å; H257-V295 VanDerWaalsContact CA-O 3.31Å; H257-V295 WeakPolarHBondContact CA-O 3.37Å; G258-V295 PolarHBondContact N-O 2.8Å; T292-V295 WeakPolarHBondContact O-CG2 3.31Å; T292-V295 PolarHBondContact O-N 3.39Å; G293-V295 VanDerWaalsContact C-N 3.29Å; G293-V295 PolarHBondContact O-N 3.25Å
296	A	98.8	Very high	98.3	Very high	12 Å²	12	40.7 Å²	40.7	10%	0.099	22%	0.216	C	C	.	.	S	Bend	trans	-76.3	176.8	173	0	0	0	0	0	111.6	A256 L262 G293 W300	A256-A296 WeakPolarHBondContact O-CA 3.22Å; L262-A296 HydrophobicContact CD1-CB 4.42Å; L262-A296 HydrophobicContact CD2-CB 4.26Å; L262-A296 HydrophobicContact CG-CB 4.47Å; G293-A296 WeakPolarHBondContact O-CB 3Å; G293-A296 PolarHBondContact O-N 3.27Å; A296-W300 HydrophobicContact CB-CB 3.76Å; A296-W300 HydrophobicContact CB-CG 3.93Å
297	K	98.7	Very high	98.1	Very high	72 Å²	72	43.5 Å²	43.5	31%	0.313	24%	0.236	S	C	.	.			trans	-64.8	150.1	176.8	-76.5	173.7	177.1	167.1	0	111.3	G258 S259 N260 N299 W300	G258-K297 WeakPolarHBondContact O-CE 3.18Å; G258-K297 WeakPolarHBondContact O-CG 3.26Å; S259-K297 WeakPolarHBondContact O-CB 3.4Å; S259-K297 PolarHBondContact O-N 2.82Å; N260-K297 WeakPolarHBondContact ND2-CD 3.42Å; N260-K297 PolarHBondContact OD1-NZ 3.41Å; K297-N299 PolarHBondContact O-N 3.42Å; K297-W300 VanDerWaalsContact O-CB 3.27Å; K297-W300 WeakPolarHBondContact O-CB 3.34Å; K297-W300 PolarHBondContact O-N 2.93Å
298	P	98.1	Very high	98	Very high	114 Å²	114	42 Å²	42	74%	0.74	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-26	-178.9	-28.3	35.4	0	0	0	115.6	R322	P298-R322 VanDerWaalsContact O-CZ 3.24Å; P298-R322 PolarHBondContact O-NH1 2.95Å; P298-R322 PolarHBondContact O-NH2 3.03Å
299	N	96.5	Very high	97.7	Very high	87 Å²	87	45.8 Å²	45.8	47%	0.465	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	24.9	176.7	69	-31.3	0	0	0	113.4	Y185 K297	Y185-N299 PolarHBondContact OH-O 3.14Å; K297-N299 PolarHBondContact O-N 3.42Å
300	W	98.8	Very high	97.5	Very high	9 Å²	9	49.2 Å²	49.2	3%	0.034	26%	0.259	C	S	.	.			trans	-59	148.9	-179.5	69.5	-94.2	0	0	0	112.9	N260 L262 M290 G293 A296 K297 F302 V317 R322	N260-W300 CarbonylContact O-C 3.52Å; N260-W300 WeakPolarHBondContact O-CA 3.1Å; L262-W300 HydrophobicContact CD1-CD2 4.37Å; L262-W300 HydrophobicContact CD1-CE3 3.87Å; L262-W300 HydrophobicContact CD1-CZ3 4.07Å; L262-W300 HydrophobicContact CG-CE3 4.17Å; M290-W300 HydrophobicContact SD-CH2 4.23Å; M290-W300 HydrophobicContact SD-CZ2 3.89Å; G293-W300 VanDerWaalsContact O-CD1 3.24Å; G293-W300 PolarHBondContact O-NE1 3.21Å; G293-W300 VanDerWaalsContact O-NE1 3.13Å; A296-W300 HydrophobicContact CB-CB 3.76Å; A296-W300 HydrophobicContact CB-CG 3.93Å; K297-W300 VanDerWaalsContact O-CB 3.27Å; K297-W300 WeakPolarHBondContact O-CB 3.34Å; K297-W300 PolarHBondContact O-N 2.93Å; W300-F302 HydrophobicContact CZ3-CB 4.01Å; W300-V317 HydrophobicContact CH2-CG1 4.02Å; W300-V317 HydrophobicContact CH2-CG2 4.19Å; W300-V317 HydrophobicContact CZ3-CG1 4.11Å; W300-R322 HydrophobicContact CE3-CB 4.44Å; W300-R322 HydrophobicContact CH2-CB 4.39Å; W300-R322 HydrophobicContact CZ3-CB 4.28Å; W300-R322 WeakPolarHBondContact O-CD 3.29Å; W300-R322 PolarHBondContact O-NH1 3.47Å
301	T	98.9	Very high	97.4	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	162.4	174.9	52.7	0	0	0	0	111.3	H184 Y185 N260 V261 L262 R322 L324	H184-T301 VanDerWaalsContact NE2-CG2 3.34Å; H184-T301 WeakPolarHBondContact NE2-CG2 3.5Å; Y185-T301 HydrophobicContact CE2-CG2 4.19Å; Y185-T301 WeakPolarHBondContact CE2-OG1 3.41Å; Y185-T301 WeakPolarHBondContact OH-CG2 3.39Å; Y185-T301 PolarHBondContact OH-N 3.05Å; Y185-T301 PolarHBondContact OH-OG1 3.45Å; N260-T301 PolarHBondContact O-N 2.96Å; V261-T301 WeakPolarHBondContact CA-O 3.38Å; L262-T301 PolarHBondContact N-O 2.87Å; T301-R322 CarbonylContact C-O 3.59Å; T301-R322 VanDerWaalsContact CA-O 3.24Å; T301-R322 WeakPolarHBondContact CA-O 3.33Å; T301-R322 WeakPolarHBondContact CB-O 3.09Å; T301-L324 HydrophobicContact CG2-CD1 3.81Å; T301-L324 HydrophobicContact CG2-CG 4.17Å
302	F	98.9	Very high	97.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.4	180	176.1	-104.4	0	0	0	112.5	L262 T264 I288 W300 H304 V313 V317 F318 R322 L324 V325	L262-F302 HydrophobicContact CB-CD2 4.32Å; L262-F302 CarbonylContact O-C 3.58Å; L262-F302 VanDerWaalsContact O-CA 3.31Å; L262-F302 WeakPolarHBondContact O-CA 3.49Å; L262-F302 WeakPolarHBondContact O-CD2 3.45Å; T264-F302 HydrophobicContact CG2-CE2 3.88Å; T264-F302 HydrophobicContact CG2-CZ 3.9Å; I288-F302 HydrophobicContact CB-CE2 4.43Å; I288-F302 HydrophobicContact CD1-CD2 4.45Å; I288-F302 HydrophobicContact CD1-CE2 3.97Å; I288-F302 HydrophobicContact CG2-CD2 4.26Å; I288-F302 HydrophobicContact CG2-CE2 4.2Å; W300-F302 HydrophobicContact CZ3-CB 4.01Å; F302-H304 HydrophobicContact CE1-CB 3.8Å; F302-H304 HydrophobicContact CZ-CB 3.84Å; F302-V313 HydrophobicContact CE1-CG1 4.32Å; F302-V313 HydrophobicContact CE1-CG2 4.07Å; F302-V313 HydrophobicContact CE2-CB 4.3Å; F302-V313 HydrophobicContact CE2-CG2 3.87Å; F302-V313 HydrophobicContact CZ-CB 3.82Å; F302-V313 HydrophobicContact CZ-CG1 3.85Å; F302-V313 HydrophobicContact CZ-CG2 3.57Å; F302-V317 HydrophobicContact CB-CG1 4.02Å; F302-V317 HydrophobicContact CD1-CG1 4.08Å; F302-V317 HydrophobicContact CD2-CG1 3.79Å; F302-V317 HydrophobicContact CE2-CG1 4.28Å; F302-V317 HydrophobicContact CG-CG1 3.68Å; F302-F318 AromaticContact CE1-CD2 3.92Å; F302-F318 HydrophobicContact CE1-CD2 3.92Å; F302-R322 PolarHBondContact N-O 3.16Å; F302-L324 PolarHBondContact O-N 2.65Å; F302-V325 HydrophobicContact CD1-CG2 3.79Å; F302-V325 HydrophobicContact CE1-CG2 3.72Å
303	L	98.9	Very high	97.3	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.4	171.8	-64.1	175.5	0	0	0	111.5	D177 T180 L181 V261 L262 V263 T264 L324	D177-L303 HydrophobicContact CB-CD1 4.1Å; T180-L303 HydrophobicContact CG2-CD2 4.38Å; L181-L303 HydrophobicContact CD1-CD1 4.03Å; L181-L303 HydrophobicContact CD2-CD1 3.95Å; L181-L303 HydrophobicContact CD2-CG 4.49Å; L181-L303 HydrophobicContact CG-CD1 3.95Å; V261-L303 HydrophobicContact CG1-CD1 3.88Å; V261-L303 HydrophobicContact CG1-CG 3.97Å; L262-L303 PolarHBondContact O-N 3.44Å; V263-L303 WeakPolarHBondContact CA-O 3.48Å; V263-L303 HydrophobicContact CG1-CB 4.26Å; V263-L303 HydrophobicContact CG2-CB 4.13Å; V263-L303 HydrophobicContact CG2-CD1 4.39Å; T264-L303 PolarHBondContact N-O 3.13Å; L303-L324 HydrophobicContact CD2-CB 3.7Å
304	H	98.7	Very high	97.3	Very high	7 Å²	7	43.6 Å²	43.6	3%	0.032	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	130.4	173.3	-172.8	-68.1	0	0	0	108.7	T264 D265 F302 L306 R308 E312 F318 V325	T264-H304 PolarHBondContact O-CD2 3.15Å; D265-H304 IonicContact OD1-CE1 3.42Å; F302-H304 HydrophobicContact CE1-CB 3.8Å; F302-H304 HydrophobicContact CZ-CB 3.84Å; H304-L306 VanDerWaalsContact C-N 3.28Å; H304-L306 WeakPolarHBondContact ND1-CA 3.3Å; H304-L306 PolarHBondContact ND1-N 3.34Å; H304-L306 PolarHBondContact O-N 2.7Å; H304-R308 VanDerWaalsContact CE1-CA 3.5Å; H304-R308 WeakPolarHBondContact CE1-CA 3.41Å; H304-E312 IonicContact CE1-OE1 3.06Å; H304-E312 IonicContact NE2-OE1 2.99Å; H304-E312 PolarHBondContact NE2-OE1 2.87Å; H304-F318 HydrophobicContact CB-CE2 4.46Å; H304-V325 HydrophobicContact CB-CG2 3.84Å
305	C	97.1	Very high	97.4	Very high	15 Å²	15	41 Å²	41	10%	0.101	22%	0.218	C	C	.	.			trans	-74.9	-16.4	-172.8	68.6	0	0	0	0	114.5	R94 Q173 D265	R94-C305 PolarHBondContact NE-O 3.47Å; Q173-C305 VanDerWaalsContact CD-CB 3.47Å; Q173-C305 HydrophobicContact CG-CB 3.81Å; D265-C305 PolarHBondContact OD1-SG 2.97Å
306	L	97	Very high	97.3	Very high	35 Å²	35	45 Å²	45	18%	0.183	23%	0.234	C	C	.	.	S	Bend	trans	71.5	152.7	-178.2	-60	171.8	0	0	0	112.8	R94 H304 R308 F318 V325 F326	R94-L306 VanDerWaalsContact CZ-CB 3.47Å; R94-L306 PolarHBondContact NE-O 3.44Å; R94-L306 PolarHBondContact NH2-O 2.99Å; H304-L306 VanDerWaalsContact C-N 3.28Å; H304-L306 WeakPolarHBondContact ND1-CA 3.3Å; H304-L306 PolarHBondContact ND1-N 3.34Å; H304-L306 PolarHBondContact O-N 2.7Å; L306-R308 HydrophobicContact CD2-CB 3.87Å; L306-F318 HydrophobicContact CD2-CE2 3.99Å; L306-F318 HydrophobicContact CD2-CZ 3.77Å; L306-V325 HydrophobicContact CD1-CG1 3.91Å; L306-V325 HydrophobicContact CD2-CG1 3.71Å; L306-V325 HydrophobicContact CG-CG1 3.82Å; L306-F326 HydrophobicContact CD1-CE1 4.41Å
307	P	94.9	Very high	97.3	Very high	76 Å²	76	44.4 Å²	44.4	49%	0.494	23%	0.229	S	C	.	.			cis	-81.3	133.8	5.3	32.9	-25.3	0	0	0	111.1	R94	R94-P307 VanDerWaalsContact NH2-N 3.12Å
308	R	95.4	Very high	97.3	Very high	42 Å²	42	41.3 Å²	41.3	16%	0.158	22%	0.216	C	C	.	.			trans	-82	144	177.9	175.9	-95.7	179	164	1.7	111	H304 L306 M310 E312 V313 D314 D315 F318	H304-R308 VanDerWaalsContact CE1-CA 3.5Å; H304-R308 WeakPolarHBondContact CE1-CA 3.41Å; L306-R308 HydrophobicContact CD2-CB 3.87Å; R308-M310 VanDerWaalsContact CZ-SD 3.52Å; R308-M310 PolarHBondContact NH1-SD 2.89Å; R308-M310 VanDerWaalsContact NH1-SD 3.45Å; R308-M310 PolarHBondContact NH2-SD 3.46Å; R308-E312 WeakPolarHBondContact CA-OE1 3.44Å; R308-V313 HydrophobicContact CG-CG1 3.56Å; R308-V313 PolarHBondContact NE-O 2.85Å; R308-V313 PolarHBondContact NH2-O 3.48Å; R308-D314 PolarHBondContact NH2-O 3.43Å; R308-D315 IonicContact CZ-OD1 2.69Å; R308-D315 IonicContact NH1-OD1 3.44Å; R308-D315 PolarHBondContact NH1-OD1 3.48Å; R308-D315 IonicContact NH2-OD1 2.79Å; R308-D315 PolarHBondContact NH2-OD1 3.03Å; R308-F318 HydrophobicContact CB-CD2 4.06Å; R308-F318 HydrophobicContact CB-CE2 3.4Å; R308-F318 HydrophobicContact CB-CZ 3.85Å; R308-F318 HydrophobicContact CG-CD2 3.55Å; R308-F318 HydrophobicContact CG-CE2 3.45Å; R308-F318 VanDerWaalsContact CG-CE2 3.45Å; R308-F318 HydrophobicContact CG-CG 4.32Å; R308-F318 HydrophobicContact CG-CZ 4.16Å
309	K	93.6	Very high	97.4	Very high	79 Å²	79	43.3 Å²	43.3	34%	0.343	21%	0.21	S	C	.	.			trans	-120.4	170	167.5	-47.2	171.4	179.4	152.5	0	109.7	T266 V268 E311 E312	T266-K309 PolarHBondContact OG1-NZ 3.49Å; V268-K309 PolarHBondContact O-NZ 2.97Å; K309-E311 WeakPolarHBondContact CB-OE2 3.46Å; K309-E311 PolarHBondContact O-N 3.19Å; K309-E312 WeakPolarHBondContact CB-OE2 3.32Å; K309-E312 PolarHBondContact N-OE1 3.22Å; K309-E312 VanDerWaalsContact O-CD 3.29Å
310	M	94.1	Very high	97.5	Very high	95 Å²	95	40.2 Å²	40.2	47%	0.468	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.6	-173.3	-67.6	-62.4	-61.6	0	0	112.3	Q287 R308	Q287-M310 PolarHBondContact NE2-O 3.26Å; R308-M310 VanDerWaalsContact CZ-SD 3.52Å; R308-M310 PolarHBondContact NH1-SD 2.89Å; R308-M310 VanDerWaalsContact NH1-SD 3.45Å; R308-M310 PolarHBondContact NH2-SD 3.46Å
311	E	95.4	Very high	97.4	Very high	60 Å²	60	45.7 Å²	45.7	28%	0.28	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-43.1	-171.7	-63.8	93.9	150	0	0	112.2	W267 L280 Q287 K309	W267-E311 HydrophobicContact CE3-CB 4.04Å; W267-E311 WeakPolarHBondContact CH2-O 3.37Å; W267-E311 VanDerWaalsContact CZ2-O 3.24Å; W267-E311 WeakPolarHBondContact CZ2-O 3.36Å; W267-E311 HydrophobicContact CZ3-CB 3.97Å; L280-E311 HydrophobicContact CD2-CB 4.09Å; L280-E311 HydrophobicContact CD2-CG 3.68Å; Q287-E311 VanDerWaalsContact CB-O 3.27Å; Q287-E311 WeakPolarHBondContact CB-O 3.29Å; Q287-E311 VanDerWaalsContact CG-O 3.24Å; Q287-E311 WeakPolarHBondContact CG-O 3.45Å; K309-E311 WeakPolarHBondContact CB-OE2 3.46Å; K309-E311 PolarHBondContact O-N 3.19Å
312	E	96.9	Very high	97.4	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.009	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-27.1	-175.6	57.9	-93.9	-149.8	0	0	115.1	T264 D265 W267 I288 H304 R308 K309	T264-E312 HydrophobicContact CG2-CB 3.95Å; T264-E312 HydrophobicContact CG2-CG 4.16Å; D265-E312 WeakPolarHBondContact O-CB 3.33Å; W267-E312 HydrophobicContact CZ2-CB 4.33Å; I288-E312 PolarHBondContact N-O 2.89Å; H304-E312 IonicContact CE1-OE1 3.06Å; H304-E312 IonicContact NE2-OE1 2.99Å; H304-E312 PolarHBondContact NE2-OE1 2.87Å; R308-E312 WeakPolarHBondContact CA-OE1 3.44Å; K309-E312 WeakPolarHBondContact CB-OE2 3.32Å; K309-E312 PolarHBondContact N-OE1 3.22Å; K309-E312 VanDerWaalsContact O-CD 3.29Å
313	V	98.6	Very high	97.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-154.5	144.6	-179.4	62.9	0	0	0	0	109.9	T264 I288 F302 R308 V317 F318	T264-V313 HydrophobicContact CG2-CB 4.25Å; I288-V313 HydrophobicContact CB-CB 4.37Å; I288-V313 HydrophobicContact CB-CG2 4.15Å; I288-V313 HydrophobicContact CG2-CG2 4.35Å; I288-V313 WeakPolarHBondContact O-CA 3.2Å; I288-V313 WeakPolarHBondContact O-CG2 3.37Å; F302-V313 HydrophobicContact CE1-CG1 4.32Å; F302-V313 HydrophobicContact CE1-CG2 4.07Å; F302-V313 HydrophobicContact CE2-CB 4.3Å; F302-V313 HydrophobicContact CE2-CG2 3.87Å; F302-V313 HydrophobicContact CZ-CB 3.82Å; F302-V313 HydrophobicContact CZ-CG1 3.85Å; F302-V313 HydrophobicContact CZ-CG2 3.57Å; R308-V313 HydrophobicContact CG-CG1 3.56Å; R308-V313 PolarHBondContact NE-O 2.85Å; R308-V313 PolarHBondContact NH2-O 3.48Å; V313-V317 HydrophobicContact CG2-CB 3.66Å; V313-V317 HydrophobicContact CG2-CG1 3.66Å; V313-F318 HydrophobicContact CG1-CB 4.16Å; V313-F318 HydrophobicContact CG1-CD2 3.87Å; V313-F318 HydrophobicContact CG1-CG 4.42Å; V313-F318 HydrophobicContact CG2-CB 4.36Å
314	D	98.3	Very high	97.4	Very high	28 Å²	28	51 Å²	51	15%	0.15	26%	0.259	C	S	.	.			trans	-79.7	166.3	174.3	75.3	16	0	0	0	113.3	I288 T289 R308 Q316 V317 F318	I288-D314 PolarHBondContact O-N 3.2Å; I288-D314 VanDerWaalsContact O-N 3.1Å; T289-D314 WeakPolarHBondContact CB-OD2 3.48Å; T289-D314 HydrophobicContact CG2-CB 4.42Å; R308-D314 PolarHBondContact NH2-O 3.43Å; D314-Q316 VanDerWaalsContact C-N 3.26Å; D314-Q316 PolarHBondContact O-N 3.37Å; D314-Q316 PolarHBondContact OD1-N 2.97Å; D314-Q316 VanDerWaalsContact OD1-N 3.11Å; D314-V317 WeakPolarHBondContact OD1-CB 3.44Å; D314-V317 WeakPolarHBondContact OD1-CG2 3.49Å; D314-V317 PolarHBondContact OD1-N 3.41Å; D314-F318 VanDerWaalsContact O-CB 3.25Å; D314-F318 WeakPolarHBondContact O-CB 3.34Å; D314-F318 PolarHBondContact O-N 3.42Å
315	D	98.6	Very high	97.4	Very high	73 Å²	73	51.6 Å²	51.6	39%	0.39	26%	0.262	S	S	.	.	H	α-helix	trans	-66.7	-30	179.4	-76.6	-9	0	0	0	112.6	R308 Y319	R308-D315 IonicContact CZ-OD1 2.69Å; R308-D315 IonicContact NH1-OD1 3.44Å; R308-D315 PolarHBondContact NH1-OD1 3.48Å; R308-D315 IonicContact NH2-OD1 2.79Å; R308-D315 PolarHBondContact NH2-OD1 3.03Å; D315-Y319 HydrophobicContact CB-CD2 4.07Å; D315-Y319 HydrophobicContact CB-CE2 4.41Å; D315-Y319 WeakPolarHBondContact O-CB 3.39Å; D315-Y319 PolarHBondContact O-N 3.01Å
316	Q	98.4	Very high	97.4	Very high	133 Å²	133	57.5 Å²	57.5	62%	0.621	29%	0.286	S	S	*	.	H	α-helix	trans	-63.5	-45.7	-178.6	-64.2	-172	20.8	0	0	110.2	M290 D314 S320	M290-Q316 HydrophobicContact CE-CB 4.12Å; M290-Q316 VanDerWaalsContact CE-O 3.25Å; M290-Q316 WeakPolarHBondContact CE-O 3.38Å; M290-Q316 HydrophobicContact CG-CB 4.2Å; D314-Q316 VanDerWaalsContact C-N 3.26Å; D314-Q316 PolarHBondContact O-N 3.37Å; D314-Q316 PolarHBondContact OD1-N 2.97Å; D314-Q316 VanDerWaalsContact OD1-N 3.11Å; Q316-S320 WeakPolarHBondContact O-CA 3.48Å; Q316-S320 WeakPolarHBondContact O-CB 3.29Å; Q316-S320 PolarHBondContact O-N 3.15Å
317	V	98.6	Very high	96.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-71.6	-50.4	176	173.8	0	0	0	0	110.3	I288 M290 W300 F302 V313 D314 Y319 S320	I288-V317 HydrophobicContact CG2-CG1 4.06Å; I288-V317 HydrophobicContact CG2-CG2 4.46Å; M290-V317 HydrophobicContact CE-CG2 4.24Å; M290-V317 HydrophobicContact CG-CG2 4.21Å; M290-V317 HydrophobicContact SD-CG2 4.18Å; W300-V317 HydrophobicContact CH2-CG1 4.02Å; W300-V317 HydrophobicContact CH2-CG2 4.19Å; W300-V317 HydrophobicContact CZ3-CG1 4.11Å; F302-V317 HydrophobicContact CB-CG1 4.02Å; F302-V317 HydrophobicContact CD1-CG1 4.08Å; F302-V317 HydrophobicContact CD2-CG1 3.79Å; F302-V317 HydrophobicContact CE2-CG1 4.28Å; F302-V317 HydrophobicContact CG-CG1 3.68Å; V313-V317 HydrophobicContact CG2-CB 3.66Å; V313-V317 HydrophobicContact CG2-CG1 3.66Å; D314-V317 WeakPolarHBondContact OD1-CB 3.44Å; D314-V317 WeakPolarHBondContact OD1-CG2 3.49Å; D314-V317 PolarHBondContact OD1-N 3.41Å; V317-Y319 VanDerWaalsContact C-N 3.3Å; V317-Y319 PolarHBondContact O-N 2.97Å; V317-S320 WeakPolarHBondContact O-CB 3.3Å; V317-S320 PolarHBondContact O-N 2.88Å; V317-S320 VanDerWaalsContact O-N 3.08Å; V317-S320 PolarHBondContact O-OG 3.11Å
318	F	98.8	Very high	96.9	Very high	7 Å²	7	59.9 Å²	59.9	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-38.5	-171.8	-173.2	-94.6	0	0	0	113.1	F302 H304 L306 R308 V313 D314 S323 V325 F326	F302-F318 AromaticContact CE1-CD2 3.92Å; F302-F318 HydrophobicContact CE1-CD2 3.92Å; H304-F318 HydrophobicContact CB-CE2 4.46Å; L306-F318 HydrophobicContact CD2-CE2 3.99Å; L306-F318 HydrophobicContact CD2-CZ 3.77Å; R308-F318 HydrophobicContact CB-CD2 4.06Å; R308-F318 HydrophobicContact CB-CE2 3.4Å; R308-F318 HydrophobicContact CB-CZ 3.85Å; R308-F318 HydrophobicContact CG-CD2 3.55Å; R308-F318 HydrophobicContact CG-CE2 3.45Å; R308-F318 VanDerWaalsContact CG-CE2 3.45Å; R308-F318 HydrophobicContact CG-CG 4.32Å; R308-F318 HydrophobicContact CG-CZ 4.16Å; V313-F318 HydrophobicContact CG1-CB 4.16Å; V313-F318 HydrophobicContact CG1-CD2 3.87Å; V313-F318 HydrophobicContact CG1-CG 4.42Å; V313-F318 HydrophobicContact CG2-CB 4.36Å; D314-F318 VanDerWaalsContact O-CB 3.25Å; D314-F318 WeakPolarHBondContact O-CB 3.34Å; D314-F318 PolarHBondContact O-N 3.42Å; F318-S323 WeakPolarHBondContact O-CB 3.38Å; F318-S323 PolarHBondContact O-OG 2.98Å; F318-V325 HydrophobicContact CD2-CG2 4.29Å; F318-V325 HydrophobicContact CE2-CB 4.34Å; F318-V325 HydrophobicContact CE2-CG1 3.79Å; F318-V325 HydrophobicContact CE2-CG2 3.98Å; F318-V325 HydrophobicContact CZ-CG1 3.8Å; F318-F326 HydrophobicContact CE1-CE2 4.12Å; F318-F326 HydrophobicContact CE1-CZ 4.05Å; F318-F326 HydrophobicContact CZ-CE2 4.46Å; F318-F326 HydrophobicContact CZ-CZ 4.2Å
319	Y	98.6	Very high	97	Very high	155 Å²	155	60.8 Å²	60.8	61%	0.608	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	8.3	177.6	-61.4	-67	0	0	0	113.7	D315 V317 F326	D315-Y319 HydrophobicContact CB-CD2 4.07Å; D315-Y319 HydrophobicContact CB-CE2 4.41Å; D315-Y319 WeakPolarHBondContact O-CB 3.39Å; D315-Y319 PolarHBondContact O-N 3.01Å; V317-Y319 VanDerWaalsContact C-N 3.3Å; V317-Y319 PolarHBondContact O-N 2.97Å; Y319-F326 HydrophobicContact CE1-CE2 4.43Å
320	S	98.3	Very high	97.2	Very high	22 Å²	22	59.8 Å²	59.8	15%	0.154	31%	0.305	C	S	.	.	S	Bend	trans	-64.5	160.9	175.4	67.6	0	0	0	0	112	Q316 V317 R322 S323	Q316-S320 WeakPolarHBondContact O-CA 3.48Å; Q316-S320 WeakPolarHBondContact O-CB 3.29Å; Q316-S320 PolarHBondContact O-N 3.15Å; V317-S320 WeakPolarHBondContact O-CB 3.3Å; V317-S320 PolarHBondContact O-N 2.88Å; V317-S320 VanDerWaalsContact O-N 3.08Å; V317-S320 PolarHBondContact O-OG 3.11Å; S320-R322 PolarHBondContact O-N 2.83Å; S320-R322 WeakPolarHBondContact OG-CB 3Å; S320-R322 PolarHBondContact OG-N 2.58Å; S320-S323 VanDerWaalsContact O-CB 3.29Å; S320-S323 WeakPolarHBondContact O-CB 3.09Å; S320-S323 PolarHBondContact O-N 3.36Å; S320-S323 PolarHBondContact OG-N 2.92Å
321	S	97.9	Very high	97.4	Very high	125 Å²	125	57.7 Å²	57.7	87%	0.874	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-7.1	167.8	64.2	0	0	0	0	114.3
322	R	98.4	Very high	97.5	Very high	81 Å²	81	57.6 Å²	57.6	31%	0.306	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-13	175.6	-61.4	177.6	175.1	-87	2.6	112.3	P298 W300 T301 F302 S320	P298-R322 VanDerWaalsContact O-CZ 3.24Å; P298-R322 PolarHBondContact O-NH1 2.95Å; P298-R322 PolarHBondContact O-NH2 3.03Å; W300-R322 HydrophobicContact CE3-CB 4.44Å; W300-R322 HydrophobicContact CH2-CB 4.39Å; W300-R322 HydrophobicContact CZ3-CB 4.28Å; W300-R322 WeakPolarHBondContact O-CD 3.29Å; W300-R322 PolarHBondContact O-NH1 3.47Å; T301-R322 CarbonylContact C-O 3.59Å; T301-R322 VanDerWaalsContact CA-O 3.24Å; T301-R322 WeakPolarHBondContact CA-O 3.33Å; T301-R322 WeakPolarHBondContact CB-O 3.09Å; F302-R322 PolarHBondContact N-O 3.16Å; S320-R322 PolarHBondContact O-N 2.83Å; S320-R322 WeakPolarHBondContact OG-CB 3Å; S320-R322 PolarHBondContact OG-N 2.58Å
323	S	98.8	Very high	97.5	Very high	18 Å²	18	61.3 Å²	61.3	13%	0.126	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-74.4	125	178.8	-174.7	0	0	0	0	110.9	F318 S320 V325	F318-S323 WeakPolarHBondContact O-CB 3.38Å; F318-S323 PolarHBondContact O-OG 2.98Å; S320-S323 VanDerWaalsContact O-CB 3.29Å; S320-S323 WeakPolarHBondContact O-CB 3.09Å; S320-S323 PolarHBondContact O-N 3.36Å; S320-S323 PolarHBondContact OG-N 2.92Å; S323-V325 VanDerWaalsContact OG-CG2 3.28Å; S323-V325 WeakPolarHBondContact OG-CG2 3.37Å
324	L	98.8	Very high	97.4	Very high	19 Å²	19	65.6 Å²	65.6	10%	0.099	34%	0.338	C	S	.	.			trans	-110	28.7	175	-57.9	-178	0	0	0	111.2	T180 L181 H184 T301 F302 L303 F326 P327	T180-L324 HydrophobicContact CG2-CB 3.89Å; T180-L324 HydrophobicContact CG2-CD1 4.16Å; L181-L324 HydrophobicContact CD2-CD1 4.45Å; H184-L324 HydrophobicContact CB-CD1 3.84Å; T301-L324 HydrophobicContact CG2-CD1 3.81Å; T301-L324 HydrophobicContact CG2-CG 4.17Å; F302-L324 PolarHBondContact O-N 2.65Å; L303-L324 HydrophobicContact CD2-CB 3.7Å; L324-F326 PolarHBondContact O-N 3.33Å; L324-P327 HydrophobicContact CD2-CG 4.29Å
325	V	98.3	Very high	97.4	Very high	19 Å²	19	68.5 Å²	68.5	12%	0.115	35%	0.353	C	S	.	.	S	Bend	trans	-69.2	-30.3	-178.1	172.9	0	0	0	0	113.3	F302 H304 L306 F318 S323	F302-V325 HydrophobicContact CD1-CG2 3.79Å; F302-V325 HydrophobicContact CE1-CG2 3.72Å; H304-V325 HydrophobicContact CB-CG2 3.84Å; L306-V325 HydrophobicContact CD1-CG1 3.91Å; L306-V325 HydrophobicContact CD2-CG1 3.71Å; L306-V325 HydrophobicContact CG-CG1 3.82Å; F318-V325 HydrophobicContact CD2-CG2 4.29Å; F318-V325 HydrophobicContact CE2-CB 4.34Å; F318-V325 HydrophobicContact CE2-CG1 3.79Å; F318-V325 HydrophobicContact CE2-CG2 3.98Å; F318-V325 HydrophobicContact CZ-CG1 3.8Å; S323-V325 VanDerWaalsContact OG-CG2 3.28Å; S323-V325 WeakPolarHBondContact OG-CG2 3.37Å
326	F	97.4	Very high	97.3	Very high	138 Å²	138	68.2 Å²	68.2	61%	0.605	35%	0.35	S	S	*	.			trans	-107.2	-30.9	-175.2	-62	-66.9	0	0	0	117.6	L306 F318 Y319 L324	L306-F326 HydrophobicContact CD1-CE1 4.41Å; F318-F326 HydrophobicContact CE1-CE2 4.12Å; F318-F326 HydrophobicContact CE1-CZ 4.05Å; F318-F326 HydrophobicContact CZ-CE2 4.46Å; F318-F326 HydrophobicContact CZ-CZ 4.2Å; Y319-F326 HydrophobicContact CE1-CE2 4.43Å; L324-F326 PolarHBondContact O-N 3.33Å
327	P	84.9	Confident	97.2	Very high	101 Å²	101	62.3 Å²	62.3	66%	0.656	33%	0.325	S	S	*	.			trans	-52	0	178.4	-29.5	37.1	0	0	0	115.1	L324	L324-P327 HydrophobicContact CD2-CG 4.29Å

Retrieved 327 of 327 residues in 184.2 ms (Link to these results)

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