A0A077Z0T5_TRITR Loading...

threonine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077Z0T5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 707 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	37.4	Very low	34.4	Very low	248 Å²	248	140.7 Å²	140.7	100%	1.222	82%	0.82	S	S	*	*				0	107.5	0	-75.1	176.3	-178.2	0	0	106.9
2	V	31.5	Very low	34.5	Very low	142 Å²	142	139.3 Å²	139.3	86%	0.861	82%	0.818	S	S	*	*			trans	-82.9	119.9	177.1	179	0	0	0	0	106.5
3	N	36	Very low	34.5	Very low	169 Å²	169	141.3 Å²	141.3	90%	0.904	82%	0.821	S	S	*	*			trans	-108.8	119.7	164.4	-112.8	1.5	0	0	0	108.1
4	A	33.2	Very low	34.3	Very low	74 Å²	74	144.4 Å²	144.4	61%	0.612	82%	0.824	S	S	*	*			trans	-87	166	175.5	0	0	0	0	0	110.5
5	T	34.2	Very low	34.4	Very low	123 Å²	123	140.3 Å²	140.3	76%	0.755	82%	0.815	S	S	*	*			trans	69.9	102.7	157.5	49.4	0	0	0	0	118.2
6	D	36.4	Very low	34	Very low	158 Å²	158	139.3 Å²	139.3	85%	0.845	81%	0.814	S	S	*	*				-150.1	109.2	121.1	-92.1	-30.2	0	0	0	109.4
7	V	34.5	Very low	33.9	Very low	134 Å²	134	138.9 Å²	138.9	81%	0.812	81%	0.813	S	S	*	*			trans	-93.6	97.8	171.7	175	0	0	0	0	106.5
8	L	34.6	Very low	33.7	Very low	150 Å²	150	136.7 Å²	136.7	79%	0.785	80%	0.804	S	S	*	*			trans	-90.1	106.8	171.3	-82	163.4	0	0	0	109.4	T10	L8-T10 PolarHBondContact O-N 3.47Å
9	V	33.6	Very low	33.5	Very low	126 Å²	126	136.3 Å²	136.3	76%	0.764	81%	0.806	S	S	*	*			trans	-72.7	101.9	165.5	177.3	0	0	0	0	107.5
10	T	32.8	Very low	33.2	Very low	124 Å²	124	135.6 Å²	135.6	76%	0.761	80%	0.798	S	S	*	*			trans	-95.1	115.7	168.7	52.5	0	0	0	0	109.6	L8	L8-T10 PolarHBondContact O-N 3.47Å
11	S	34.2	Very low	33.2	Very low	100 Å²	100	136.8 Å²	136.8	70%	0.699	80%	0.8	S	S	*	*			trans	-54.4	151	171.4	-49.3	0	0	0	0	112.1	I13	S11-I13 PolarHBondContact O-N 3.28Å
12	P	36	Very low	32.8	Very low	123 Å²	123	132.2 Å²	132.2	80%	0.799	78%	0.776	S	S	*	*			trans	-67.5	131.8	-171.5	25.1	-32.2	0	0	0	112.4	E14	P12-E14 PolarHBondContact O-N 3.21Å
13	I	34	Very low	32.8	Very low	166 Å²	166	129.6 Å²	129.6	85%	0.851	77%	0.769	S	S	*	*			trans	-60	112.8	171.1	-65.2	165.7	0	0	0	108.1	S11 A15	S11-I13 PolarHBondContact O-N 3.28Å; I13-A15 PolarHBondContact O-N 3.21Å
14	E	31.5	Very low	32.7	Very low	185 Å²	185	127.8 Å²	127.8	86%	0.864	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-57.6	119.1	166.6	-78	-178.4	154	0	0	109	P12	P12-E14 PolarHBondContact O-N 3.21Å
15	A	36	Very low	32.8	Very low	83 Å²	83	134.3 Å²	134.3	69%	0.686	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-64.3	140.8	174.6	0	0	0	0	0	109.9	I13 V17	I13-A15 PolarHBondContact O-N 3.21Å; A15-V17 PolarHBondContact O-N 3.13Å
16	P	28.9	Very low	33.5	Very low	124 Å²	124	131.4 Å²	131.4	81%	0.805	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-65.3	125.7	-175.6	24.9	-31.5	0	0	0	110.8
17	V	31.6	Very low	34.6	Very low	132 Å²	132	130.2 Å²	130.2	80%	0.8	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-56.6	127.2	168.1	178	0	0	0	0	108.3	A15	A15-V17 PolarHBondContact O-N 3.13Å
18	P	30.9	Very low	36.8	Very low	99 Å²	99	125.9 Å²	125.9	64%	0.643	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-64.6	145.5	-175.4	24.2	-31.8	0	0	0	111.3	N20	P18-N20 PolarHBondContact O-N 2.67Å; P18-N20 VanDerWaalsContact O-N 3.14Å
19	P	29.5	Very low	39.3	Very low	130 Å²	130	120.6 Å²	120.6	84%	0.844	70%	0.696	S	S	*	*	S	Bend	trans	-65.4	116.2	-174.8	25.5	-32	0	0	0	111.2
20	N	28.1	Very low	41.9	Very low	122 Å²	122	119.8 Å²	119.8	65%	0.652	68%	0.682	S	S	*	*			trans	39.5	92.8	152	-148.6	0.7	0	0	0	117.3	P18 E22	P18-N20 PolarHBondContact O-N 2.67Å; P18-N20 VanDerWaalsContact O-N 3.14Å; N20-E22 PolarHBondContact O-N 3.27Å
21	L	31.3	Very low	44.7	Very low	161 Å²	161	115 Å²	115	84%	0.843	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	18.5	174.2	-101	154.6	0	0	0	115.1
22	E	30.5	Very low	47.3	Very low	151 Å²	151	117 Å²	117	71%	0.706	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-3.7	-176	-75.6	-165.6	145	0	0	115.9	N20 T24	N20-E22 PolarHBondContact O-N 3.27Å; E22-T24 PolarHBondContact O-N 3Å
23	A	31.2	Very low	50	Low	88 Å²	88	113.5 Å²	113.5	73%	0.727	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	66.8	-176.7	0	0	0	0	0	113.6
24	T	32.9	Very low	52.9	Low	131 Å²	131	106.5 Å²	106.5	80%	0.804	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	176.5	61.3	145	26.5	0	0	0	0	109.6	E22 N26	E22-T24 PolarHBondContact O-N 3Å; T24-N26 PolarHBondContact O-N 3.19Å
25	R	35.2	Very low	55.8	Low	211 Å²	211	100.6 Å²	100.6	80%	0.796	58%	0.579	S	S	*	*			trans	-64.7	92.6	154.7	-80.1	-178.1	174.8	168.4	0.9	106.7	L27	R25-L27 PolarHBondContact O-N 3.14Å
26	N	50.1	Low	58.5	Low	62 Å²	62	103 Å²	103	33%	0.332	58%	0.58	S	S	.	*			trans	-57.5	97.8	146.9	-82.2	-16.9	0	0	0	103.9	T24 V28	T24-N26 PolarHBondContact O-N 3.19Å; N26-V28 PolarHBondContact O-N 3Å
27	L	59.8	Low	61.5	Low	132 Å²	132	102.2 Å²	102.2	69%	0.691	58%	0.575	S	S	*	*			trans	-58	106.1	173.7	-77	158.7	0	0	0	105.6	R25 D197	R25-L27 PolarHBondContact O-N 3.14Å; L27-D197 WeakPolarHBondContact O-CB 3.18Å; L27-D197 VanDerWaalsContact O-OD2 3.12Å
28	V	80.7	Confident	64.5	Low	44 Å²	44	98.2 Å²	98.2	27%	0.267	55%	0.545	S	S	.	.			trans	-94.9	101.4	168.9	-171	0	0	0	0	105.9	N26 W38 D197 P241	N26-V28 PolarHBondContact O-N 3Å; V28-W38 HydrophobicContact CB-CH2 4.27Å; V28-W38 HydrophobicContact CG1-CH2 3.59Å; V28-W38 HydrophobicContact CG1-CZ2 4.4Å; V28-W38 HydrophobicContact CG1-CZ3 4.44Å; V28-D197 WeakPolarHBondContact CA-OD2 3.15Å; V28-P241 HydrophobicContact CG1-CG 4.23Å
29	S	86.3	Confident	67.4	Low	39 Å²	39	94.9 Å²	94.9	27%	0.273	52%	0.524	S	S	.	.			trans	-73.6	134.8	178.9	56.6	0	0	0	0	110	R152 C193 D197	S29-R152 PolarHBondContact O-NH2 3.12Å; S29-C193 WeakPolarHBondContact OG-CB 3.4Å; S29-D197 WeakPolarHBondContact CB-OD1 3.24Å; S29-D197 PolarHBondContact N-OD2 3.25Å; S29-D197 VanDerWaalsContact OG-CG 3.26Å; S29-D197 PolarHBondContact OG-OD1 3.47Å; S29-D197 PolarHBondContact OG-OD2 3.02Å
30	K	88.1	Confident	70.6	Confident	109 Å²	109	94.6 Å²	94.6	47%	0.474	52%	0.515	S	S	.	.			trans	-99.6	148.9	177.8	-66.4	-168	176.1	-168.7	0	111.7	E34 D36 W38	K30-E34 VanDerWaalsContact CA-OE1 3.32Å; K30-E34 WeakPolarHBondContact CA-OE1 3.35Å; K30-D36 IonicContact NZ-OD1 3.81Å; K30-D36 PolarHBondContact NZ-OD1 3.15Å; K30-W38 HydrophobicContact CD-CZ2 4.29Å; K30-W38 HydrophobicContact CG-CZ2 3.94Å
31	V	90.7	Very high	73.8	Confident	23 Å²	23	90 Å²	90	14%	0.139	49%	0.489	C	S	.	.			trans	-113.5	152.3	166.5	-70.4	0	0	0	0	110.9	C33 E34 I190 C193	V31-C33 WeakPolarHBondContact CG2-SG 3.38Å; V31-C33 PolarHBondContact O-N 3.38Å; V31-E34 HydrophobicContact CG2-CG 3.96Å; V31-E34 WeakPolarHBondContact CG2-OE1 3.44Å; V31-E34 PolarHBondContact N-OE1 2.7Å; V31-E34 PolarHBondContact O-N 2.97Å; V31-I190 HydrophobicContact CG2-CB 4.28Å; V31-I190 HydrophobicContact CG2-CD1 4.44Å; V31-I190 HydrophobicContact CG2-CG1 3.33Å; V31-C193 WeakPolarHBondContact CG1-SG 3.01Å
32	P	90.2	Very high	76.8	Confident	142 Å²	142	82.6 Å²	82.6	92%	0.922	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.3	-172.4	-25.1	35	0	0	0	116.1	E34	P32-E34 VanDerWaalsContact C-N 3.3Å
33	C	92.7	Very high	79.9	Confident	50 Å²	50	82.6 Å²	82.6	34%	0.338	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-6.6	-178.8	57.2	0	0	0	0	113.9	V31 Y153 A186	V31-C33 WeakPolarHBondContact CG2-SG 3.38Å; V31-C33 PolarHBondContact O-N 3.38Å; C33-Y153 HydrophobicContact CB-CD2 4.42Å; C33-Y153 HydrophobicContact CB-CE2 4.18Å; C33-Y153 WeakPolarHBondContact O-CD2 3.49Å; C33-Y153 WeakPolarHBondContact O-CE2 3.46Å; C33-A186 HydrophobicContact CB-CB 4.17Å
34	E	94	Very high	82.9	Confident	19 Å²	19	82.8 Å²	82.8	9%	0.089	43%	0.433	C	S	.	.	S	Bend	trans	-76	159.1	-178.2	-68.1	172.4	-132.8	0	0	113.4	K30 V31 P32 W38 R152 I190	K30-E34 VanDerWaalsContact CA-OE1 3.32Å; K30-E34 WeakPolarHBondContact CA-OE1 3.35Å; V31-E34 HydrophobicContact CG2-CG 3.96Å; V31-E34 WeakPolarHBondContact CG2-OE1 3.44Å; V31-E34 PolarHBondContact N-OE1 2.7Å; V31-E34 PolarHBondContact O-N 2.97Å; P32-E34 VanDerWaalsContact C-N 3.3Å; E34-W38 VanDerWaalsContact OE2-CE2 3.32Å; E34-W38 WeakPolarHBondContact OE2-CZ2 3.29Å; E34-W38 PolarHBondContact OE2-NE1 3.02Å; E34-R152 HydrophobicContact CG-CB 4.21Å; E34-R152 IonicContact OE1-CZ 2.69Å; E34-R152 IonicContact OE1-NE 2.79Å; E34-R152 IonicContact OE1-NH2 3.94Å; E34-R152 PolarHBondContact OE1-NH2 3.15Å; E34-R152 IonicContact OE2-CZ 2.69Å; E34-R152 IonicContact OE2-NE 2.89Å; E34-R152 PolarHBondContact OE2-NE 2.65Å; E34-R152 IonicContact OE2-NH2 2.83Å; E34-R152 PolarHBondContact OE2-NH2 3.24Å; E34-I190 HydrophobicContact CG-CD1 3.58Å; E34-I190 HydrophobicContact CG-CG1 3.69Å
35	L	93.3	Very high	85.9	Confident	61 Å²	61	76.6 Å²	76.6	32%	0.319	40%	0.395	S	S	.	.			trans	-60.3	135.6	165.3	-62.8	175.5	0	0	0	110	P37 W38 P39 R152	L35-P37 CarbonylContact C-O 3.56Å; L35-W38 PolarHBondContact O-NE1 3.38Å; L35-P39 HydrophobicContact CD1-CG 4.35Å; L35-R152 WeakPolarHBondContact CB-O 3.43Å; L35-R152 PolarHBondContact N-O 3.49Å
36	D	91.6	Very high	88.8	Confident	134 Å²	134	68.7 Å²	68.7	72%	0.717	37%	0.368	S	S	*	.	S	Bend	trans	-137	110.7	171.8	-160.3	37	0	0	0	110	K30	K30-D36 IonicContact NZ-OD1 3.81Å; K30-D36 PolarHBondContact NZ-OD1 3.15Å
37	P	92.2	Very high	91	Very high	107 Å²	107	70.8 Å²	70.8	70%	0.695	38%	0.379	S	S	*	.	S	Bend	cis	-72	162.6	-0.8	33	-36	0	0	0	112.8	L35	L35-P37 CarbonylContact C-O 3.56Å
38	W	93.8	Very high	92.8	Very high	47 Å²	47	66.1 Å²	66.1	18%	0.178	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-66.6	160.3	164.2	-65.9	-24.6	0	0	0	111	V28 K30 E34 L35 I42 R152 P241	V28-W38 HydrophobicContact CB-CH2 4.27Å; V28-W38 HydrophobicContact CG1-CH2 3.59Å; V28-W38 HydrophobicContact CG1-CZ2 4.4Å; V28-W38 HydrophobicContact CG1-CZ3 4.44Å; K30-W38 HydrophobicContact CD-CZ2 4.29Å; K30-W38 HydrophobicContact CG-CZ2 3.94Å; E34-W38 VanDerWaalsContact OE2-CE2 3.32Å; E34-W38 WeakPolarHBondContact OE2-CZ2 3.29Å; E34-W38 PolarHBondContact OE2-NE1 3.02Å; L35-W38 PolarHBondContact O-NE1 3.38Å; W38-I42 HydrophobicContact CB-CD1 4.08Å; W38-I42 HydrophobicContact CE3-CG2 4.37Å; W38-I42 HydrophobicContact CG-CD1 4.48Å; W38-R152 HydrophobicContact CD2-CG 4.26Å; W38-R152 HydrophobicContact CZ2-CG 4.02Å; W38-P241 HydrophobicContact CH2-CG 4.48Å; W38-P241 HydrophobicContact CZ3-CB 4.09Å; W38-P241 HydrophobicContact CZ3-CG 4.27Å
39	P	93.8	Very high	93.6	Very high	30 Å²	30	64.1 Å²	64.1	20%	0.195	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-56.2	140.5	176.3	-25.4	34.3	0	0	0	113.8	L35 Y41 I42	L35-P39 HydrophobicContact CD1-CG 4.35Å; P39-Y41 HydrophobicContact CB-CD1 3.49Å; P39-Y41 VanDerWaalsContact CB-CD1 3.49Å; P39-Y41 HydrophobicContact CB-CD2 4.45Å; P39-Y41 HydrophobicContact CB-CE1 3.14Å; P39-Y41 HydrophobicContact CB-CE2 4.15Å; P39-Y41 HydrophobicContact CB-CG 4.14Å; P39-Y41 VanDerWaalsContact CB-CZ 3.49Å; P39-Y41 HydrophobicContact CG-CE1 3.75Å; P39-Y41 PolarHBondContact O-N 3.41Å; P39-Y41 VanDerWaalsContact O-N 3.17Å; P39-I42 WeakPolarHBondContact O-CB 3.31Å; P39-I42 PolarHBondContact O-N 2.97Å
40	D	95.4	Very high	94.1	Very high	123 Å²	123	67.5 Å²	67.5	66%	0.658	35%	0.354	S	S	*	.	H	α-helix	trans	-58.9	-32.6	-175.5	-71.3	-39.3	0	0	0	113.4	I42 K43 E44	D40-I42 PolarHBondContact O-N 2.85Å; D40-I42 VanDerWaalsContact O-N 3.07Å; D40-K43 WeakPolarHBondContact O-CB 3.43Å; D40-K43 PolarHBondContact O-N 2.88Å; D40-E44 PolarHBondContact O-N 3.47Å; D40-E44 VanDerWaalsContact O-N 3.1Å
41	Y	95.4	Very high	94.5	Very high	26 Å²	26	68.7 Å²	68.7	10%	0.102	36%	0.359	C	S	.	.	H	α-helix	trans	-56.8	-28.2	178.6	63.1	-111.7	0	0	0	112.8	P39 E44 R45 E151 G155 G156 Y217	P39-Y41 HydrophobicContact CB-CD1 3.49Å; P39-Y41 VanDerWaalsContact CB-CD1 3.49Å; P39-Y41 HydrophobicContact CB-CD2 4.45Å; P39-Y41 HydrophobicContact CB-CE1 3.14Å; P39-Y41 HydrophobicContact CB-CE2 4.15Å; P39-Y41 HydrophobicContact CB-CG 4.14Å; P39-Y41 VanDerWaalsContact CB-CZ 3.49Å; P39-Y41 HydrophobicContact CG-CE1 3.75Å; P39-Y41 PolarHBondContact O-N 3.41Å; P39-Y41 VanDerWaalsContact O-N 3.17Å; Y41-E44 PolarHBondContact O-N 2.83Å; Y41-R45 VanDerWaalsContact O-CG 3.24Å; Y41-R45 WeakPolarHBondContact O-CG 3.46Å; Y41-R45 PolarHBondContact O-N 2.92Å; Y41-E151 HydrophobicContact CE2-CG 4.45Å; Y41-G155 PolarHBondContact OH-O 2.92Å; Y41-G156 PolarHBondContact OH-O 2.72Å; Y41-Y217 VanDerWaalsContact CB-CG 3.47Å; Y41-Y217 AromaticContact CD1-CD2 3.53Å; Y41-Y217 HydrophobicContact CD1-CD2 3.53Å; Y41-Y217 AromaticContact CD1-CE2 3.79Å; Y41-Y217 HydrophobicContact CD1-CE2 3.79Å; Y41-Y217 HydrophobicContact CD1-CG 4.16Å; Y41-Y217 HydrophobicContact CD2-CD1 4.49Å; Y41-Y217 AromaticContact CD2-CD2 3.82Å; Y41-Y217 HydrophobicContact CD2-CD2 3.82Å; Y41-Y217 HydrophobicContact CD2-CE1 4.05Å; Y41-Y217 AromaticContact CD2-CE2 3.27Å; Y41-Y217 HydrophobicContact CD2-CE2 3.27Å; Y41-Y217 HydrophobicContact CD2-CG 4.39Å; Y41-Y217 AromaticContact CD2-CZ 3.39Å; Y41-Y217 HydrophobicContact CE1-CD2 4.03Å; Y41-Y217 HydrophobicContact CE1-CE2 4.01Å; Y41-Y217 HydrophobicContact CE2-CD2 4.34Å; Y41-Y217 AromaticContact CE2-CE2 3.58Å; Y41-Y217 HydrophobicContact CE2-CE2 3.58Å; Y41-Y217 AromaticContact CE2-CZ 3.93Å; Y41-Y217 HydrophobicContact CG-CD1 4.17Å; Y41-Y217 AromaticContact CG-CD2 3.42Å; Y41-Y217 HydrophobicContact CG-CD2 3.42Å; Y41-Y217 VanDerWaalsContact CG-CD2 3.42Å; Y41-Y217 HydrophobicContact CG-CE1 4.19Å; Y41-Y217 AromaticContact CG-CE2 3.42Å; Y41-Y217 HydrophobicContact CG-CE2 3.42Å; Y41-Y217 VanDerWaalsContact CG-CE2 3.42Å; Y41-Y217 AromaticContact CG-CG 3.8Å; Y41-Y217 HydrophobicContact CG-CG 3.8Å; Y41-Y217 AromaticContact CG-CZ 3.82Å; Y41-Y217 AromaticContact CZ-CE2 3.94Å
42	I	95.1	Very high	94.8	Very high	5 Å²	5	68.3 Å²	68.3	3%	0.026	36%	0.355	C	S	.	.	H	α-helix	trans	-65.3	-42.7	177.2	-59.9	-169	0	0	0	110.2	W38 P39 D40 R45 L46 E151 P241	W38-I42 HydrophobicContact CB-CD1 4.08Å; W38-I42 HydrophobicContact CE3-CG2 4.37Å; W38-I42 HydrophobicContact CG-CD1 4.48Å; P39-I42 WeakPolarHBondContact O-CB 3.31Å; P39-I42 PolarHBondContact O-N 2.97Å; D40-I42 PolarHBondContact O-N 2.85Å; D40-I42 VanDerWaalsContact O-N 3.07Å; I42-R45 VanDerWaalsContact O-CG 3.27Å; I42-R45 WeakPolarHBondContact O-CG 3.3Å; I42-L46 HydrophobicContact CG2-CD1 4.17Å; I42-L46 WeakPolarHBondContact O-CD1 3.49Å; I42-L46 WeakPolarHBondContact O-CG 3.36Å; I42-L46 PolarHBondContact O-N 2.97Å; I42-E151 HydrophobicContact CD1-CB 4.13Å; I42-P241 HydrophobicContact CG2-CB 3.87Å
43	K	94.6	Very high	95.1	Very high	152 Å²	152	62.5 Å²	62.5	66%	0.661	32%	0.316	S	S	*	.	H	α-helix	trans	-69.6	-42.5	178.3	-175.2	-177.8	176.2	-174.2	0	111.1	D40 L46 L47	D40-K43 WeakPolarHBondContact O-CB 3.43Å; D40-K43 PolarHBondContact O-N 2.88Å; K43-L46 PolarHBondContact O-N 3.42Å; K43-L47 WeakPolarHBondContact O-CG 3.38Å; K43-L47 PolarHBondContact O-N 2.88Å; K43-L47 VanDerWaalsContact O-N 3.16Å
44	E	95.8	Very high	95.3	Very high	91 Å²	91	65.1 Å²	65.1	43%	0.425	32%	0.323	S	S	.	.	H	α-helix	trans	-60.4	-49.8	-179.9	-68.1	-176.5	-172.7	0	0	112.2	D40 Y41 L46 L47 L48	D40-E44 PolarHBondContact O-N 3.47Å; D40-E44 VanDerWaalsContact O-N 3.1Å; Y41-E44 PolarHBondContact O-N 2.83Å; E44-L46 VanDerWaalsContact C-N 3.29Å; E44-L46 PolarHBondContact O-N 3.1Å; E44-L47 PolarHBondContact O-N 3.46Å; E44-L48 PolarHBondContact O-N 3.04Å; E44-L48 VanDerWaalsContact O-N 3.14Å
45	R	95.7	Very high	95.4	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-32.8	178.9	68.2	-176.8	-172.3	-168.6	-10.2	112.7	Y41 I42 L48 W49 E151 M214 Y217 P241 I243	Y41-R45 VanDerWaalsContact O-CG 3.24Å; Y41-R45 WeakPolarHBondContact O-CG 3.46Å; Y41-R45 PolarHBondContact O-N 2.92Å; I42-R45 VanDerWaalsContact O-CG 3.27Å; I42-R45 WeakPolarHBondContact O-CG 3.3Å; R45-L48 PolarHBondContact O-N 2.92Å; R45-W49 WeakPolarHBondContact O-CB 3.39Å; R45-W49 PolarHBondContact O-N 2.96Å; R45-E151 IonicContact CZ-OE1 2.65Å; R45-E151 IonicContact CZ-OE2 2.85Å; R45-E151 IonicContact NH1-OE1 3.26Å; R45-E151 PolarHBondContact NH1-OE1 3.46Å; R45-E151 IonicContact NH1-OE2 2.87Å; R45-E151 PolarHBondContact NH1-OE2 3Å; R45-E151 IonicContact NH2-OE1 2.83Å; R45-E151 IonicContact NH2-OE2 3.59Å; R45-E151 PolarHBondContact NH2-OE2 2.89Å; R45-M214 HydrophobicContact CB-CG 3.89Å; R45-Y217 PolarHBondContact NH1-OH 2.69Å; R45-Y217 VanDerWaalsContact NH1-OH 3.1Å; R45-P241 PolarHBondContact NE-O 2.95Å; R45-P241 PolarHBondContact NH2-O 3.49Å; R45-I243 HydrophobicContact CB-CD1 4Å; R45-I243 HydrophobicContact CG-CD1 3.84Å; R45-I243 HydrophobicContact CG-CG1 4.44Å; R45-I243 VanDerWaalsContact O-CD1 3.31Å; R45-I243 WeakPolarHBondContact O-CD1 3.47Å
46	L	95.8	Very high	95.4	Very high	44 Å²	44	67.6 Å²	67.6	23%	0.23	33%	0.328	C	S	.	.	H	α-helix	trans	-66.9	-37.3	176.4	-75.6	171.3	0	0	0	112.3	I42 K43 E44 W49 Q50 P241 I243	I42-L46 HydrophobicContact CG2-CD1 4.17Å; I42-L46 WeakPolarHBondContact O-CD1 3.49Å; I42-L46 WeakPolarHBondContact O-CG 3.36Å; I42-L46 PolarHBondContact O-N 2.97Å; K43-L46 PolarHBondContact O-N 3.42Å; E44-L46 VanDerWaalsContact C-N 3.29Å; E44-L46 PolarHBondContact O-N 3.1Å; L46-W49 PolarHBondContact O-N 3.14Å; L46-Q50 PolarHBondContact O-N 3.43Å; L46-P241 HydrophobicContact CD1-CB 4.4Å; L46-I243 HydrophobicContact CD2-CD1 4.29Å
47	L	96.8	Very high	95.6	Very high	106 Å²	106	67.1 Å²	67.1	56%	0.555	32%	0.32	S	S	*	.	H	α-helix	trans	-65.2	-44.1	173.8	-69.6	171.3	0	0	0	111.3	K43 E44 Q50 K51	K43-L47 WeakPolarHBondContact O-CG 3.38Å; K43-L47 PolarHBondContact O-N 2.88Å; K43-L47 VanDerWaalsContact O-N 3.16Å; E44-L47 PolarHBondContact O-N 3.46Å; L47-Q50 PolarHBondContact O-N 2.96Å; L47-K51 PolarHBondContact O-N 3.28Å
48	L	97.2	Very high	95.7	Very high	34 Å²	34	68.2 Å²	68.2	18%	0.178	31%	0.313	C	S	.	.	H	α-helix	trans	-62.2	-44.1	174.9	-69	174.5	0	0	0	111.5	E44 R45 Q50 K51 Y52 E213 M214	E44-L48 PolarHBondContact O-N 3.04Å; E44-L48 VanDerWaalsContact O-N 3.14Å; R45-L48 PolarHBondContact O-N 2.92Å; L48-Q50 VanDerWaalsContact C-N 3.35Å; L48-Q50 PolarHBondContact O-N 2.83Å; L48-K51 WeakPolarHBondContact O-CB 3.49Å; L48-K51 PolarHBondContact O-N 3.38Å; L48-Y52 HydrophobicContact CB-CD2 4.4Å; L48-Y52 HydrophobicContact CB-CE2 3.89Å; L48-Y52 HydrophobicContact CD2-CE2 4.49Å; L48-Y52 WeakPolarHBondContact O-CD2 3.44Å; L48-Y52 VanDerWaalsContact O-CG 3.3Å; L48-Y52 PolarHBondContact O-N 3.37Å; L48-E213 HydrophobicContact CD1-CG 4.17Å; L48-M214 HydrophobicContact CB-CE 3.97Å; L48-M214 HydrophobicContact CD1-CB 4.12Å; L48-M214 HydrophobicContact CD1-CG 4.47Å
49	W	97.2	Very high	95.8	Very high	2 Å²	2	70.9 Å²	70.9	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-58	-45.7	175.8	-174.7	-92.5	0	0	0	112.5	R45 L46 K51 Y52 M53 E202 L204 M214 A236 R238 I243	R45-W49 WeakPolarHBondContact O-CB 3.39Å; R45-W49 PolarHBondContact O-N 2.96Å; L46-W49 PolarHBondContact O-N 3.14Å; W49-K51 VanDerWaalsContact C-N 3.33Å; W49-K51 PolarHBondContact O-N 3.35Å; W49-Y52 PolarHBondContact O-N 3.48Å; W49-M53 HydrophobicContact CD2-CG 4.38Å; W49-M53 HydrophobicContact CG-CG 4.36Å; W49-M53 HydrophobicContact CZ2-CG 4.17Å; W49-M53 HydrophobicContact CZ2-SD 4.31Å; W49-M53 VanDerWaalsContact O-CB 3.29Å; W49-M53 WeakPolarHBondContact O-CB 3.29Å; W49-M53 PolarHBondContact O-N 3.4Å; W49-E202 VanDerWaalsContact CH2-O 3.28Å; W49-E202 WeakPolarHBondContact CH2-O 3.45Å; W49-E202 HydrophobicContact CZ2-CB 3.77Å; W49-E202 VanDerWaalsContact CZ2-O 3.31Å; W49-E202 WeakPolarHBondContact CZ2-O 3.25Å; W49-E202 PolarHBondContact NE1-OE2 3.35Å; W49-L204 HydrophobicContact CD2-CD1 4.06Å; W49-L204 HydrophobicContact CE3-CD1 4.03Å; W49-L204 HydrophobicContact CH2-CB 3.8Å; W49-L204 HydrophobicContact CH2-CD1 4Å; W49-L204 HydrophobicContact CH2-CG 3.82Å; W49-L204 HydrophobicContact CZ2-CB 4.38Å; W49-L204 HydrophobicContact CZ2-CD1 4Å; W49-L204 HydrophobicContact CZ2-CG 3.9Å; W49-L204 HydrophobicContact CZ3-CB 4.08Å; W49-L204 HydrophobicContact CZ3-CD1 4.02Å; W49-L204 HydrophobicContact CZ3-CG 4.26Å; W49-M214 HydrophobicContact CE3-CE 4.36Å; W49-A236 HydrophobicContact CZ3-CB 3.96Å; W49-R238 HydrophobicContact CD2-CB 3.94Å; W49-R238 VanDerWaalsContact CE2-CB 3.46Å; W49-R238 HydrophobicContact CE3-CB 4.26Å; W49-R238 HydrophobicContact CH2-CB 3.78Å; W49-R238 HydrophobicContact CZ2-CB 3.41Å; W49-R238 VanDerWaalsContact CZ2-CB 3.41Å; W49-R238 HydrophobicContact CZ3-CB 4.18Å; W49-I243 HydrophobicContact CB-CD1 3.48Å; W49-I243 VanDerWaalsContact CB-CD1 3.48Å; W49-I243 HydrophobicContact CD2-CD1 4.01Å; W49-I243 HydrophobicContact CD2-CG1 4.36Å; W49-I243 HydrophobicContact CE3-CD1 3.87Å; W49-I243 HydrophobicContact CE3-CG1 4.11Å; W49-I243 HydrophobicContact CE3-CG2 3.65Å; W49-I243 HydrophobicContact CG-CD1 3.87Å; W49-I243 HydrophobicContact CZ3-CG2 3.76Å
50	Q	96.2	Very high	95.7	Very high	110 Å²	110	71.2 Å²	71.2	51%	0.514	33%	0.328	S	S	.	.	H	α-helix	trans	-58.5	-46.9	178.5	-175.6	174.7	7.5	0	0	111.3	L46 L47 L48 Y52 M53 E54	L46-Q50 PolarHBondContact O-N 3.43Å; L47-Q50 PolarHBondContact O-N 2.96Å; L48-Q50 VanDerWaalsContact C-N 3.35Å; L48-Q50 PolarHBondContact O-N 2.83Å; Q50-Y52 PolarHBondContact O-N 3.11Å; Q50-M53 PolarHBondContact O-N 3.26Å; Q50-E54 WeakPolarHBondContact O-CB 3.44Å; Q50-E54 PolarHBondContact O-N 3.22Å
51	K	96.9	Very high	95.6	Very high	135 Å²	135	68.7 Å²	68.7	59%	0.587	32%	0.324	S	S	*	.	H	α-helix	trans	-57	-48	175.7	175.2	-175.4	176	-177.9	0	111.7	L47 L48 W49 R55	L47-K51 PolarHBondContact O-N 3.28Å; L48-K51 WeakPolarHBondContact O-CB 3.49Å; L48-K51 PolarHBondContact O-N 3.38Å; W49-K51 VanDerWaalsContact C-N 3.33Å; W49-K51 PolarHBondContact O-N 3.35Å; K51-R55 PolarHBondContact O-N 3.24Å
52	Y	97.1	Very high	95.6	Very high	14 Å²	14	71.3 Å²	71.3	6%	0.055	35%	0.351	C	S	.	.	H	α-helix	trans	-74.2	-35	-177.5	-56.7	-43.1	0	0	0	113.1	L48 W49 Q50 E54 R55 Y56 L206 E210 M214	L48-Y52 HydrophobicContact CB-CD2 4.4Å; L48-Y52 HydrophobicContact CB-CE2 3.89Å; L48-Y52 HydrophobicContact CD2-CE2 4.49Å; L48-Y52 WeakPolarHBondContact O-CD2 3.44Å; L48-Y52 VanDerWaalsContact O-CG 3.3Å; L48-Y52 PolarHBondContact O-N 3.37Å; W49-Y52 PolarHBondContact O-N 3.48Å; Q50-Y52 PolarHBondContact O-N 3.11Å; Y52-E54 VanDerWaalsContact C-N 3.34Å; Y52-R55 PolarHBondContact O-N 3.37Å; Y52-Y56 PolarHBondContact O-N 2.88Å; Y52-L206 HydrophobicContact CD2-CD1 4.24Å; Y52-L206 HydrophobicContact CD2-CD2 3.86Å; Y52-L206 HydrophobicContact CG-CD2 3.78Å; Y52-E210 HydrophobicContact CE1-CB 4.3Å; Y52-E210 HydrophobicContact CE1-CG 4.01Å; Y52-E210 WeakPolarHBondContact CE1-OE1 3.48Å; Y52-E210 HydrophobicContact CE2-CB 4.03Å; Y52-M214 HydrophobicContact CD2-CE 3.73Å; Y52-M214 HydrophobicContact CE2-CE 3.83Å
53	M	96.2	Very high	95.5	Very high	20 Å²	20	75.9 Å²	75.9	10%	0.099	37%	0.371	C	S	.	.	H	α-helix	trans	-63.5	-40.1	173.4	-92.5	-56.1	-97.1	0	0	111.8	W49 Q50 R55 Y56 K57 E202 L204	W49-M53 HydrophobicContact CD2-CG 4.38Å; W49-M53 HydrophobicContact CG-CG 4.36Å; W49-M53 HydrophobicContact CZ2-CG 4.17Å; W49-M53 HydrophobicContact CZ2-SD 4.31Å; W49-M53 VanDerWaalsContact O-CB 3.29Å; W49-M53 WeakPolarHBondContact O-CB 3.29Å; W49-M53 PolarHBondContact O-N 3.4Å; Q50-M53 PolarHBondContact O-N 3.26Å; M53-R55 VanDerWaalsContact C-N 3.33Å; M53-Y56 PolarHBondContact O-N 2.92Å; M53-Y56 HydrophobicContact SD-CD1 4.24Å; M53-K57 WeakPolarHBondContact O-CB 3.39Å; M53-K57 VanDerWaalsContact O-CG 3.31Å; M53-K57 WeakPolarHBondContact O-CG 3.4Å; M53-K57 PolarHBondContact O-N 3.43Å; M53-E202 HydrophobicContact CE-CB 4.26Å; M53-L204 HydrophobicContact CB-CD1 4.36Å; M53-L204 HydrophobicContact CG-CD1 3.68Å; M53-L204 HydrophobicContact CG-CD2 4.31Å; M53-L204 HydrophobicContact CG-CG 4.05Å; M53-L204 HydrophobicContact SD-CD1 3.77Å; M53-L204 HydrophobicContact SD-CD2 3.34Å; M53-L204 WeakPolarHBondContact SD-CD2 3.18Å; M53-L204 HydrophobicContact SD-CG 3.44Å; M53-L204 WeakPolarHBondContact SD-CG 3.42Å
54	E	96.4	Very high	95.4	Very high	105 Å²	105	74.1 Å²	74.1	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-43.4	176.4	-167.3	-171.9	158.7	0	0	111.1	Q50 Y52 K57 K58	Q50-E54 WeakPolarHBondContact O-CB 3.44Å; Q50-E54 PolarHBondContact O-N 3.22Å; Y52-E54 VanDerWaalsContact C-N 3.34Å; E54-K57 PolarHBondContact O-N 3.11Å; E54-K58 WeakPolarHBondContact O-CG 3.16Å; E54-K58 PolarHBondContact O-N 3.28Å; E54-K58 VanDerWaalsContact O-N 3.1Å; E54-K58 VanDerWaalsContact OE1-CE 3.29Å; E54-K58 WeakPolarHBondContact OE1-CE 3.32Å; E54-K58 IonicContact OE1-NZ 3.13Å; E54-K58 PolarHBondContact OE1-NZ 3.5Å
55	R	96.4	Very high	95.3	Very high	73 Å²	73	72 Å²	72	28%	0.275	37%	0.368	S	S	.	.	H	α-helix	trans	-58.9	-51.8	173.4	179	-178.7	65.9	-150.7	1.4	111.3	K51 Y52 M53 K57 K58 E59 E210	K51-R55 PolarHBondContact O-N 3.24Å; Y52-R55 PolarHBondContact O-N 3.37Å; M53-R55 VanDerWaalsContact C-N 3.33Å; R55-K57 VanDerWaalsContact C-N 3.33Å; R55-K57 PolarHBondContact O-N 3.29Å; R55-K58 WeakPolarHBondContact O-CB 3.41Å; R55-K58 PolarHBondContact O-N 3.07Å; R55-K58 VanDerWaalsContact O-N 3.14Å; R55-E59 WeakPolarHBondContact CD-OE1 3.44Å; R55-E59 HydrophobicContact CG-CG 4.4Å; R55-E59 WeakPolarHBondContact CG-OE1 3.36Å; R55-E59 IonicContact NE-OE1 3.45Å; R55-E59 WeakPolarHBondContact O-CG 3.47Å; R55-E59 PolarHBondContact O-N 3.39Å; R55-E210 IonicContact CZ-OE1 2.97Å; R55-E210 VanDerWaalsContact CZ-OE1 3.24Å; R55-E210 IonicContact CZ-OE2 3.94Å; R55-E210 IonicContact NH1-OE1 3.39Å; R55-E210 PolarHBondContact NH1-OE1 3.17Å; R55-E210 IonicContact NH1-OE2 2.75Å; R55-E210 IonicContact NH2-OE1 3.68Å; R55-E210 PolarHBondContact NH2-OE1 3.44Å; R55-E210 IonicContact NH2-OE2 3.51Å; R55-E210 PolarHBondContact NH2-OE2 3.43Å
56	Y	94.7	Very high	95.3	Very high	60 Å²	60	78.1 Å²	78.1	24%	0.235	40%	0.397	C	S	.	.	H	α-helix	trans	-58.5	-43.2	-179.7	172.6	-106.8	0	0	0	112.5	Y52 M53 K58 E59 L60 L204	Y52-Y56 PolarHBondContact O-N 2.88Å; M53-Y56 PolarHBondContact O-N 2.92Å; M53-Y56 HydrophobicContact SD-CD1 4.24Å; Y56-K58 VanDerWaalsContact C-N 3.33Å; Y56-K58 PolarHBondContact O-N 3.17Å; Y56-E59 PolarHBondContact O-N 3.27Å; Y56-L60 HydrophobicContact CE1-CD2 4.27Å; Y56-L60 WeakPolarHBondContact O-CB 3.29Å; Y56-L60 PolarHBondContact O-N 2.85Å; Y56-L204 HydrophobicContact CD1-CD2 3.65Å; Y56-L204 HydrophobicContact CD2-CD2 4.13Å; Y56-L204 HydrophobicContact CE1-CD2 4.49Å; Y56-L204 HydrophobicContact CG-CD2 3.43Å; Y56-L204 VanDerWaalsContact CG-CD2 3.43Å
57	K	94.3	Very high	95.4	Very high	124 Å²	124	83.8 Å²	83.8	54%	0.539	42%	0.419	S	S	.	.	H	α-helix	trans	-62	-39.9	176.8	-74.8	176.7	-178.9	177.6	0	112.1	M53 E54 R55 A61	M53-K57 WeakPolarHBondContact O-CB 3.39Å; M53-K57 VanDerWaalsContact O-CG 3.31Å; M53-K57 WeakPolarHBondContact O-CG 3.4Å; M53-K57 PolarHBondContact O-N 3.43Å; E54-K57 PolarHBondContact O-N 3.11Å; R55-K57 VanDerWaalsContact C-N 3.33Å; R55-K57 PolarHBondContact O-N 3.29Å; K57-A61 VanDerWaalsContact O-CB 3.3Å; K57-A61 WeakPolarHBondContact O-CB 3.29Å; K57-A61 PolarHBondContact O-N 3.13Å
58	K	95.7	Very high	95.4	Very high	129 Å²	129	79.3 Å²	79.3	56%	0.561	40%	0.396	S	S	*	.	H	α-helix	trans	-64.4	-44.9	174.5	-72.4	174.1	-175.1	168.9	0	111.3	E54 R55 Y56 A61 A62	E54-K58 WeakPolarHBondContact O-CG 3.16Å; E54-K58 PolarHBondContact O-N 3.28Å; E54-K58 VanDerWaalsContact O-N 3.1Å; E54-K58 VanDerWaalsContact OE1-CE 3.29Å; E54-K58 WeakPolarHBondContact OE1-CE 3.32Å; E54-K58 IonicContact OE1-NZ 3.13Å; E54-K58 PolarHBondContact OE1-NZ 3.5Å; R55-K58 WeakPolarHBondContact O-CB 3.41Å; R55-K58 PolarHBondContact O-N 3.07Å; R55-K58 VanDerWaalsContact O-N 3.14Å; Y56-K58 VanDerWaalsContact C-N 3.33Å; Y56-K58 PolarHBondContact O-N 3.17Å; K58-A61 PolarHBondContact O-N 2.79Å; K58-A62 WeakPolarHBondContact O-CB 3.34Å; K58-A62 PolarHBondContact O-N 3.13Å
59	E	94.5	Very high	95.4	Very high	104 Å²	104	83.6 Å²	83.6	49%	0.486	42%	0.415	S	S	.	.	H	α-helix	trans	-61.9	-45.9	176.8	-71.2	171.7	-173	0	0	111.8	R55 Y56 A61 A62 K63	R55-E59 WeakPolarHBondContact CD-OE1 3.44Å; R55-E59 HydrophobicContact CG-CG 4.4Å; R55-E59 WeakPolarHBondContact CG-OE1 3.36Å; R55-E59 IonicContact NE-OE1 3.45Å; R55-E59 WeakPolarHBondContact O-CG 3.47Å; R55-E59 PolarHBondContact O-N 3.39Å; Y56-E59 PolarHBondContact O-N 3.27Å; E59-A61 PolarHBondContact O-N 2.91Å; E59-A62 PolarHBondContact O-N 3.46Å; E59-K63 WeakPolarHBondContact O-CG 3.14Å; E59-K63 PolarHBondContact O-N 3.23Å; E59-K63 VanDerWaalsContact O-N 3.11Å
60	L	92.5	Very high	95.4	Very high	36 Å²	36	83.5 Å²	83.5	19%	0.188	41%	0.414	C	S	.	.	H	α-helix	trans	-64.3	-39.3	178.1	-175.9	66	0	0	0	112.3	Y56 A62 K63 W83 R84 P117	Y56-L60 HydrophobicContact CE1-CD2 4.27Å; Y56-L60 WeakPolarHBondContact O-CB 3.29Å; Y56-L60 PolarHBondContact O-N 2.85Å; L60-A62 VanDerWaalsContact C-N 3.3Å; L60-K63 WeakPolarHBondContact O-CB 3.47Å; L60-K63 PolarHBondContact O-N 2.85Å; L60-W83 HydrophobicContact CD1-CB 4.17Å; L60-W83 HydrophobicContact CD1-CE3 4.04Å; L60-R84 PolarHBondContact O-NH1 3.22Å; L60-P117 HydrophobicContact CD1-CG 4.48Å; L60-P117 HydrophobicContact CD2-CG 4.35Å
61	A	92.9	Very high	95.5	Very high	71 Å²	71	80.7 Å²	80.7	59%	0.587	41%	0.405	S	S	*	.	H	α-helix	trans	-65.7	-34.5	174.9	0	0	0	0	0	112.1	K57 K58 E59 K63 R84	K57-A61 VanDerWaalsContact O-CB 3.3Å; K57-A61 WeakPolarHBondContact O-CB 3.29Å; K57-A61 PolarHBondContact O-N 3.13Å; K58-A61 PolarHBondContact O-N 2.79Å; E59-A61 PolarHBondContact O-N 2.91Å; A61-K63 VanDerWaalsContact C-N 3.35Å; A61-R84 PolarHBondContact O-NH2 3.12Å
62	A	94.9	Very high	95.5	Very high	81 Å²	81	74.9 Å²	74.9	67%	0.669	38%	0.38	S	S	*	.	H	α-helix	trans	-76.2	-17.3	177.6	0	0	0	0	0	113.9	K58 E59 L60 V64	K58-A62 WeakPolarHBondContact O-CB 3.34Å; K58-A62 PolarHBondContact O-N 3.13Å; E59-A62 PolarHBondContact O-N 3.46Å; L60-A62 VanDerWaalsContact C-N 3.3Å; A62-V64 PolarHBondContact O-N 2.99Å
63	K	93.6	Very high	95.3	Very high	100 Å²	100	78.2 Å²	78.2	44%	0.435	40%	0.404	S	S	.	.	S	Bend	trans	-61.6	129.6	173.6	-69.6	-75.7	-175.3	168.7	0	110.3	E59 L60 A61 S65 W83 R84	E59-K63 WeakPolarHBondContact O-CG 3.14Å; E59-K63 PolarHBondContact O-N 3.23Å; E59-K63 VanDerWaalsContact O-N 3.11Å; L60-K63 WeakPolarHBondContact O-CB 3.47Å; L60-K63 PolarHBondContact O-N 2.85Å; A61-K63 VanDerWaalsContact C-N 3.35Å; K63-S65 PolarHBondContact O-N 3.41Å; K63-W83 HydrophobicContact CB-CB 4.04Å; K63-W83 HydrophobicContact CB-CD2 4.21Å; K63-W83 HydrophobicContact CB-CG 3.8Å; K63-W83 HydrophobicContact CD-CD2 4.32Å; K63-W83 HydrophobicContact CD-CZ2 4.49Å; K63-W83 HydrophobicContact CG-CD2 4.13Å; K63-W83 HydrophobicContact CG-CE3 4.39Å; K63-W83 HydrophobicContact CG-CG 4.26Å; K63-R84 PolarHBondContact O-NH2 3.13Å
64	V	92.9	Very high	95.1	Very high	115 Å²	115	83.1 Å²	83.1	70%	0.697	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-67.1	128.2	171.9	-178.1	0	0	0	0	108.4	A62	A62-V64 PolarHBondContact O-N 2.99Å
65	S	94.2	Very high	94.9	Very high	47 Å²	47	80.5 Å²	80.5	33%	0.329	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-95.7	131.1	179.2	-170.1	0	0	0	0	109.6	K63 S82 R84	K63-S65 PolarHBondContact O-N 3.41Å; S65-S82 WeakPolarHBondContact CB-O 3.16Å; S65-S82 PolarHBondContact OG-O 2.82Å; S65-R84 WeakPolarHBondContact OG-CG 3.38Å
66	E	95.7	Very high	94.8	Very high	131 Å²	131	82.4 Å²	82.4	61%	0.612	44%	0.442	S	S	*	.			trans	-121.5	154.2	-179.4	-64.1	-179.6	170.9	0	0	109.9	I68 D81 S82	E66-I68 PolarHBondContact O-N 2.95Å; E66-D81 WeakPolarHBondContact O-CA 3.45Å; E66-S82 PolarHBondContact N-OG 3.01Å; E66-S82 PolarHBondContact O-N 2.94Å; E66-S82 PolarHBondContact O-OG 3.15Å
67	K	96.9	Very high	94.9	Very high	163 Å²	163	83.2 Å²	83.2	71%	0.709	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	127	174.8	-68.2	-70.8	172.8	-162.4	0	109.6	D81	K67-D81 VanDerWaalsContact CD-OD1 3.24Å; K67-D81 WeakPolarHBondContact CD-OD1 3.2Å; K67-D81 WeakPolarHBondContact CE-OD1 3.47Å; K67-D81 VanDerWaalsContact NZ-CG 3.3Å; K67-D81 IonicContact NZ-OD1 3.57Å; K67-D81 PolarHBondContact NZ-OD1 3.37Å; K67-D81 IonicContact NZ-OD2 3.1Å; K67-D81 PolarHBondContact NZ-OD2 2.93Å; K67-D81 VanDerWaalsContact NZ-OD2 3.13Å
68	I	97.2	Very high	94.9	Very high	11 Å²	11	78.4 Å²	78.4	6%	0.056	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	158.4	-179.1	58.5	164.6	0	0	0	111.1	E66 A80 L118 A120	E66-I68 PolarHBondContact O-N 2.95Å; I68-A80 HydrophobicContact CD1-CB 4.14Å; I68-A80 HydrophobicContact CG1-CB 3.81Å; I68-A80 WeakPolarHBondContact CG1-O 3.33Å; I68-A80 PolarHBondContact N-O 3.37Å; I68-A80 PolarHBondContact O-N 2.9Å; I68-L118 HydrophobicContact CD1-CB 3.81Å; I68-A120 WeakPolarHBondContact CD1-O 3.44Å
69	E	97.3	Very high	94.9	Very high	124 Å²	124	75.8 Å²	75.8	58%	0.579	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.1	-179.9	-67.7	-172.7	161.9	0	0	110.8	V77 S121 C122	E69-V77 HydrophobicContact CB-CG1 3.8Å; E69-V77 HydrophobicContact CG-CG1 4.09Å; E69-S121 PolarHBondContact N-OG 2.98Å; E69-S121 CarbonylContact O-C 3.56Å; E69-S121 WeakPolarHBondContact O-CA 3.25Å; E69-S121 VanDerWaalsContact O-CB 3.32Å; E69-S121 WeakPolarHBondContact O-CB 3.44Å; E69-C122 PolarHBondContact O-N 3.43Å
70	V	97.4	Very high	95	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	112.5	179	-177.5	0	0	0	0	109.3	V77 I78 A80 L118 C122 L124	V70-V77 CarbonylContact O-C 3.53Å; V70-V77 WeakPolarHBondContact O-CA 3.21Å; V70-I78 PolarHBondContact N-O 3.46Å; V70-I78 PolarHBondContact O-N 3.44Å; V70-A80 HydrophobicContact CG2-CB 3.68Å; V70-L118 HydrophobicContact CG1-CD1 4.44Å; V70-L118 HydrophobicContact CG2-CD1 3.51Å; V70-C122 WeakPolarHBondContact CA-O 3.4Å; V70-L124 HydrophobicContact CG1-CB 3.41Å; V70-L124 VanDerWaalsContact CG1-CB 3.41Å; V70-L124 HydrophobicContact CG1-CD2 3.72Å; V70-L124 HydrophobicContact CG1-CG 4.2Å
71	T	97.7	Very high	95.3	Very high	52 Å²	52	71.5 Å²	71.5	32%	0.319	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.1	-178.6	-54.6	0	0	0	0	110.5	V77 C122 R123 L124	T71-V77 HydrophobicContact CG2-CG2 4.5Å; T71-C122 PolarHBondContact N-O 2.8Å; T71-R123 CarbonylContact O-C 3.53Å; T71-R123 WeakPolarHBondContact O-CA 3.49Å; T71-L124 PolarHBondContact O-N 2.8Å
72	L	96.3	Very high	95.5	Very high	13 Å²	13	68.2 Å²	68.2	7%	0.068	39%	0.389	C	S	.	.			trans	-86.5	165.7	176.1	-61.8	-177.7	0	0	0	111.7	D74 G75 K76 I78 I90 I94 L124	L72-D74 VanDerWaalsContact CB-OD1 3.29Å; L72-D74 WeakPolarHBondContact CB-OD1 3.18Å; L72-D74 PolarHBondContact O-N 2.85Å; L72-G75 PolarHBondContact O-N 2.88Å; L72-K76 HydrophobicContact CB-CB 4.42Å; L72-K76 HydrophobicContact CD1-CB 4.34Å; L72-K76 HydrophobicContact CD1-CD 4.39Å; L72-K76 PolarHBondContact N-O 3.31Å; L72-I78 HydrophobicContact CD1-CD1 3.69Å; L72-I78 HydrophobicContact CD1-CG1 4.45Å; L72-I78 HydrophobicContact CG-CD1 4.3Å; L72-I90 HydrophobicContact CD2-CG2 4.42Å; L72-I94 HydrophobicContact CD1-CD1 3.6Å; L72-I94 HydrophobicContact CD1-CG1 4.32Å; L72-I94 HydrophobicContact CD2-CD1 4.41Å; L72-L124 HydrophobicContact CD2-CB 4.3Å; L72-L124 HydrophobicContact CD2-CD2 4.23Å; L72-L124 HydrophobicContact CD2-CG 4.37Å
73	P	92.9	Very high	95.5	Very high	84 Å²	84	67.2 Å²	67.2	55%	0.545	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.2	-177.4	-24.5	36.2	0	0	0	114.8	G75 L124 E125	P73-G75 PolarHBondContact O-N 2.87Å; P73-L124 WeakPolarHBondContact CD-O 3.34Å; P73-E125 HydrophobicContact CG-CB 4.35Å; P73-E125 HydrophobicContact CG-CG 4.08Å
74	D	93.1	Very high	95.6	Very high	122 Å²	122	67 Å²	67	65%	0.652	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	3.5	174.9	65	-6.5	0	0	0	113	L72 K76	L72-D74 VanDerWaalsContact CB-OD1 3.29Å; L72-D74 WeakPolarHBondContact CB-OD1 3.18Å; L72-D74 PolarHBondContact O-N 2.85Å; D74-K76 VanDerWaalsContact C-N 3.29Å; D74-K76 PolarHBondContact O-N 3.29Å; D74-K76 WeakPolarHBondContact OD1-CB 3.36Å; D74-K76 PolarHBondContact OD1-N 3.5Å
75	G	92.2	Very high	95.8	Very high	50 Å²	50	61.9 Å²	61.9	52%	0.515	33%	0.333	S	S	.	.	S	Bend	trans	82.7	-1.3	-177.2	0	0	0	0	0	114.1	L72 P73 V77	L72-G75 PolarHBondContact O-N 2.88Å; P73-G75 PolarHBondContact O-N 2.87Å; G75-V77 PolarHBondContact O-N 2.98Å
76	K	94.5	Very high	96	Very high	114 Å²	114	60.3 Å²	60.3	50%	0.496	32%	0.321	S	S	.	.			trans	-68.6	130.2	178.1	-175.1	177.5	-180	178.2	0	110.5	L72 D74 I78	L72-K76 HydrophobicContact CB-CB 4.42Å; L72-K76 HydrophobicContact CD1-CB 4.34Å; L72-K76 HydrophobicContact CD1-CD 4.39Å; L72-K76 PolarHBondContact N-O 3.31Å; D74-K76 VanDerWaalsContact C-N 3.29Å; D74-K76 PolarHBondContact O-N 3.29Å; D74-K76 WeakPolarHBondContact OD1-CB 3.36Å; D74-K76 PolarHBondContact OD1-N 3.5Å; K76-I78 HydrophobicContact CG-CG1 4.44Å
77	V	95.7	Very high	96.1	Very high	76 Å²	76	54 Å²	54	46%	0.461	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.3	175.6	-175.8	0	0	0	0	109.9	E69 V70 T71 G75	E69-V77 HydrophobicContact CB-CG1 3.8Å; E69-V77 HydrophobicContact CG-CG1 4.09Å; V70-V77 CarbonylContact O-C 3.53Å; V70-V77 WeakPolarHBondContact O-CA 3.21Å; T71-V77 HydrophobicContact CG2-CG2 4.5Å; G75-V77 PolarHBondContact O-N 2.98Å
78	I	95.3	Very high	96.1	Very high	23 Å²	23	48.2 Å²	48.2	12%	0.118	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.4	177.8	-60.1	178.2	0	0	0	109	V70 L72 K76 I90 I94	V70-I78 PolarHBondContact N-O 3.46Å; V70-I78 PolarHBondContact O-N 3.44Å; L72-I78 HydrophobicContact CD1-CD1 3.69Å; L72-I78 HydrophobicContact CD1-CG1 4.45Å; L72-I78 HydrophobicContact CG-CD1 4.3Å; K76-I78 HydrophobicContact CG-CG1 4.44Å; I78-I90 HydrophobicContact CB-CD1 4.45Å; I78-I90 HydrophobicContact CD1-CG2 3.85Å; I78-I90 HydrophobicContact CG2-CD1 3.72Å; I78-I94 HydrophobicContact CD1-CD1 4.49Å; I78-I94 HydrophobicContact CD1-CG1 4.22Å
79	A	96.1	Very high	96.2	Very high	74 Å²	74	51.9 Å²	51.9	61%	0.612	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	134.4	173.1	0	0	0	0	0	111.4
80	A	96.7	Very high	96.1	Very high	1 Å²	1	46 Å²	46	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	169.7	179	0	0	0	0	0	110.8	I68 V70 T85 I90	I68-A80 HydrophobicContact CD1-CB 4.14Å; I68-A80 HydrophobicContact CG1-CB 3.81Å; I68-A80 WeakPolarHBondContact CG1-O 3.33Å; I68-A80 PolarHBondContact N-O 3.37Å; I68-A80 PolarHBondContact O-N 2.9Å; V70-A80 HydrophobicContact CG2-CB 3.68Å; A80-T85 HydrophobicContact CB-CG2 3.69Å; A80-I90 HydrophobicContact CB-CD1 4.34Å
81	D	97.2	Very high	96.1	Very high	50 Å²	50	46 Å²	46	27%	0.267	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.8	178.8	-71.4	-56.7	0	0	0	108.9	E66 K67 R84 T85	E66-D81 WeakPolarHBondContact O-CA 3.45Å; K67-D81 VanDerWaalsContact CD-OD1 3.24Å; K67-D81 WeakPolarHBondContact CD-OD1 3.2Å; K67-D81 WeakPolarHBondContact CE-OD1 3.47Å; K67-D81 VanDerWaalsContact NZ-CG 3.3Å; K67-D81 IonicContact NZ-OD1 3.57Å; K67-D81 PolarHBondContact NZ-OD1 3.37Å; K67-D81 IonicContact NZ-OD2 3.1Å; K67-D81 PolarHBondContact NZ-OD2 2.93Å; K67-D81 VanDerWaalsContact NZ-OD2 3.13Å; D81-R84 HydrophobicContact CB-CB 3.97Å; D81-R84 HydrophobicContact CB-CG 4.45Å; D81-R84 PolarHBondContact O-N 3.06Å; D81-T85 PolarHBondContact N-OG1 2.89Å; D81-T85 WeakPolarHBondContact O-CB 3.3Å; D81-T85 PolarHBondContact O-N 2.87Å; D81-T85 PolarHBondContact O-OG1 2.87Å
82	S	97	Very high	96	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.014	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	144.1	179.9	66.9	0	0	0	0	110.6	S65 E66 R84 L118 E119	S65-S82 WeakPolarHBondContact CB-O 3.16Å; S65-S82 PolarHBondContact OG-O 2.82Å; E66-S82 PolarHBondContact N-OG 3.01Å; E66-S82 PolarHBondContact O-N 2.94Å; E66-S82 PolarHBondContact O-OG 3.15Å; S82-R84 PolarHBondContact O-N 2.8Å; S82-L118 CarbonylContact C-O 3.59Å; S82-L118 WeakPolarHBondContact CA-O 3.11Å; S82-E119 WeakPolarHBondContact CB-O 3.28Å
83	W	95.9	Very high	95.9	Very high	59 Å²	59	51.1 Å²	51.1	22%	0.223	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	10.7	-177.7	-47.1	100.3	0	0	0	115	L60 K63 L118 E119	L60-W83 HydrophobicContact CD1-CB 4.17Å; L60-W83 HydrophobicContact CD1-CE3 4.04Å; K63-W83 HydrophobicContact CB-CB 4.04Å; K63-W83 HydrophobicContact CB-CD2 4.21Å; K63-W83 HydrophobicContact CB-CG 3.8Å; K63-W83 HydrophobicContact CD-CD2 4.32Å; K63-W83 HydrophobicContact CD-CZ2 4.49Å; K63-W83 HydrophobicContact CG-CD2 4.13Å; K63-W83 HydrophobicContact CG-CE3 4.39Å; K63-W83 HydrophobicContact CG-CG 4.26Å; W83-L118 PolarHBondContact N-O 3.19Å; W83-E119 HydrophobicContact CE3-CG 4.08Å; W83-E119 HydrophobicContact CH2-CB 3.85Å; W83-E119 HydrophobicContact CH2-CG 3.52Å; W83-E119 VanDerWaalsContact CH2-OE2 3.28Å; W83-E119 WeakPolarHBondContact CH2-OE2 3.25Å; W83-E119 HydrophobicContact CZ2-CB 3.9Å; W83-E119 HydrophobicContact CZ2-CG 4.08Å; W83-E119 HydrophobicContact CZ3-CB 4.26Å; W83-E119 HydrophobicContact CZ3-CG 3.52Å
84	R	96.1	Very high	95.9	Very high	97 Å²	97	50.2 Å²	50.2	37%	0.366	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-45.8	-179.1	-60	-64.8	179.2	-89.6	-3.9	112.6	L60 A61 K63 S65 D81 S82 Q89	L60-R84 PolarHBondContact O-NH1 3.22Å; A61-R84 PolarHBondContact O-NH2 3.12Å; K63-R84 PolarHBondContact O-NH2 3.13Å; S65-R84 WeakPolarHBondContact OG-CG 3.38Å; D81-R84 HydrophobicContact CB-CB 3.97Å; D81-R84 HydrophobicContact CB-CG 4.45Å; D81-R84 PolarHBondContact O-N 3.06Å; S82-R84 PolarHBondContact O-N 2.8Å; R84-Q89 PolarHBondContact O-OE1 2.92Å
85	T	97.3	Very high	96	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.043	25%	0.252	C	S	.	.			trans	-84.4	132.3	-178	-57.2	0	0	0	0	111.1	A80 D81 Q89 I90 P117 L118	A80-T85 HydrophobicContact CB-CG2 3.69Å; D81-T85 PolarHBondContact N-OG1 2.89Å; D81-T85 WeakPolarHBondContact O-CB 3.3Å; D81-T85 PolarHBondContact O-N 2.87Å; D81-T85 PolarHBondContact O-OG1 2.87Å; T85-Q89 VanDerWaalsContact CA-OE1 3.26Å; T85-I90 HydrophobicContact CG2-CD1 3.69Å; T85-I90 HydrophobicContact CG2-CG1 3.91Å; T85-P117 WeakPolarHBondContact O-CA 3.38Å; T85-L118 PolarHBondContact O-N 3.21Å
86	T	97.7	Very high	96.1	Very high	13 Å²	13	49 Å²	49	8%	0.08	25%	0.249	C	C	.	.			trans	-108.8	157.5	177.6	73.4	0	0	0	0	111.8	Y88 Q89 I90 L114 D115 P117	T86-Y88 PolarHBondContact O-N 2.87Å; T86-Q89 WeakPolarHBondContact O-CB 3.5Å; T86-Q89 PolarHBondContact O-N 3.19Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.37Å; T86-Q89 PolarHBondContact OG1-N 2.88Å; T86-I90 PolarHBondContact O-N 2.9Å; T86-I90 VanDerWaalsContact O-N 3.13Å; T86-L114 VanDerWaalsContact CB-O 3.29Å; T86-L114 WeakPolarHBondContact CB-O 3.37Å; T86-L114 PolarHBondContact OG1-O 3.01Å; T86-D115 WeakPolarHBondContact CG2-O 3.33Å; T86-P117 HydrophobicContact CG2-CG 4.37Å
87	P	97.9	Very high	96.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-53.3	-36.1	171.4	-29	36.2	0	0	0	113.8	I90 A91 S105 L114 R116 L118 L124 L126	P87-I90 PolarHBondContact O-N 3.45Å; P87-A91 PolarHBondContact O-N 3.04Å; P87-S105 WeakPolarHBondContact CB-OG 3.28Å; P87-S105 WeakPolarHBondContact CG-OG 3.48Å; P87-L114 HydrophobicContact CB-CD2 3.97Å; P87-L114 WeakPolarHBondContact CD-O 3.45Å; P87-R116 WeakPolarHBondContact CD-O 3.44Å; P87-L118 HydrophobicContact CG-CD2 4.02Å; P87-L124 HydrophobicContact CB-CD1 3.91Å; P87-L124 HydrophobicContact CB-CD2 4.38Å; P87-L124 HydrophobicContact CG-CD1 4.11Å; P87-L126 HydrophobicContact CB-CD2 4.46Å
88	Y	97.4	Very high	96.1	Very high	41 Å²	41	45 Å²	45	16%	0.161	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-44.8	175.4	-176.2	-110.4	0	0	0	112.1	T86 I90 A91 C92 A99 L114 R252	T86-Y88 PolarHBondContact O-N 2.87Å; Y88-I90 VanDerWaalsContact C-N 3.3Å; Y88-I90 PolarHBondContact O-N 3.22Å; Y88-A91 WeakPolarHBondContact O-CB 3.35Å; Y88-A91 PolarHBondContact O-N 2.92Å; Y88-A91 VanDerWaalsContact O-N 3.17Å; Y88-C92 VanDerWaalsContact CE1-SG 3.52Å; Y88-C92 PolarHBondContact O-N 3.24Å; Y88-C92 PolarHBondContact O-SG 3.19Å; Y88-C92 VanDerWaalsContact O-SG 3.37Å; Y88-A99 HydrophobicContact CD2-CB 4.22Å; Y88-A99 HydrophobicContact CE2-CB 3.73Å; Y88-L114 WeakPolarHBondContact CB-O 3.36Å; Y88-L114 PolarHBondContact N-O 2.86Å; Y88-R252 VanDerWaalsContact CE1-CZ 3.5Å; Y88-R252 VanDerWaalsContact CE1-NH1 3.27Å; Y88-R252 PolarHBondContact OH-NH1 2.89Å
89	Q	97.6	Very high	96	Very high	87 Å²	87	43.9 Å²	43.9	41%	0.407	23%	0.231	S	C	.	.	H	α-helix	trans	-63.9	-37.8	177.8	-69.1	171.3	-8.2	0	0	111.5	R84 T85 T86 C92 K93	R84-Q89 PolarHBondContact O-OE1 2.92Å; T85-Q89 VanDerWaalsContact CA-OE1 3.26Å; T86-Q89 WeakPolarHBondContact O-CB 3.5Å; T86-Q89 PolarHBondContact O-N 3.19Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.37Å; T86-Q89 PolarHBondContact OG1-N 2.88Å; Q89-C92 PolarHBondContact O-N 3.21Å; Q89-K93 WeakPolarHBondContact O-CG 3.43Å; Q89-K93 PolarHBondContact O-N 3.38Å
90	I	96.9	Very high	95.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-45.8	172.3	-60.6	-64.5	0	0	0	110.6	L72 I78 A80 T85 T86 P87 Y88 C92 K93 I94 L124	L72-I90 HydrophobicContact CD2-CG2 4.42Å; I78-I90 HydrophobicContact CB-CD1 4.45Å; I78-I90 HydrophobicContact CD1-CG2 3.85Å; I78-I90 HydrophobicContact CG2-CD1 3.72Å; A80-I90 HydrophobicContact CB-CD1 4.34Å; T85-I90 HydrophobicContact CG2-CD1 3.69Å; T85-I90 HydrophobicContact CG2-CG1 3.91Å; T86-I90 PolarHBondContact O-N 2.9Å; T86-I90 VanDerWaalsContact O-N 3.13Å; P87-I90 PolarHBondContact O-N 3.45Å; Y88-I90 VanDerWaalsContact C-N 3.3Å; Y88-I90 PolarHBondContact O-N 3.22Å; I90-C92 VanDerWaalsContact C-N 3.33Å; I90-C92 PolarHBondContact O-N 2.99Å; I90-K93 WeakPolarHBondContact O-CB 3.47Å; I90-K93 PolarHBondContact O-N 3.12Å; I90-K93 VanDerWaalsContact O-N 3.15Å; I90-I94 HydrophobicContact CG2-CD1 4.34Å; I90-I94 WeakPolarHBondContact O-CG1 3.49Å; I90-I94 PolarHBondContact O-N 3Å; I90-I94 VanDerWaalsContact O-N 3.13Å; I90-L124 HydrophobicContact CB-CD2 3.96Å; I90-L124 HydrophobicContact CG1-CD2 4.27Å; I90-L124 HydrophobicContact CG2-CD2 3.76Å
91	A	96.4	Very high	95.8	Very high	1 Å²	1	49 Å²	49	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-58.5	-43.6	176.5	0	0	0	0	0	111.9	P87 Y88 K93 I94 S95 A99 L126	P87-A91 PolarHBondContact O-N 3.04Å; Y88-A91 WeakPolarHBondContact O-CB 3.35Å; Y88-A91 PolarHBondContact O-N 2.92Å; Y88-A91 VanDerWaalsContact O-N 3.17Å; A91-K93 PolarHBondContact O-N 2.88Å; A91-I94 WeakPolarHBondContact O-CB 3.5Å; A91-I94 PolarHBondContact O-N 3.32Å; A91-I94 VanDerWaalsContact O-N 3.12Å; A91-S95 CarbonylContact O-C 3.54Å; A91-S95 PolarHBondContact O-N 2.89Å; A91-A99 HydrophobicContact CB-CB 3.76Å; A91-L126 HydrophobicContact CB-CD1 3.64Å; A91-L126 HydrophobicContact CB-CD2 4.27Å
92	C	96.3	Very high	95.8	Very high	41 Å²	41	46.7 Å²	46.7	28%	0.277	23%	0.232	S	C	.	.	H	α-helix	trans	-63.1	-38	175.9	-69.5	0	0	0	0	112.8	Y88 Q89 I90 I94 A99	Y88-C92 VanDerWaalsContact CE1-SG 3.52Å; Y88-C92 PolarHBondContact O-N 3.24Å; Y88-C92 PolarHBondContact O-SG 3.19Å; Y88-C92 VanDerWaalsContact O-SG 3.37Å; Q89-C92 PolarHBondContact O-N 3.21Å; I90-C92 VanDerWaalsContact C-N 3.33Å; I90-C92 PolarHBondContact O-N 2.99Å; C92-I94 PolarHBondContact O-N 3.44Å; C92-A99 VanDerWaalsContact SG-CB 3.55Å
93	K	93.6	Very high	95.8	Very high	132 Å²	132	46.8 Å²	46.8	57%	0.574	23%	0.233	S	C	*	.	H	α-helix	trans	-63.3	-29.1	174	-74.3	176.8	-178	177.9	0	112.4	Q89 I90 A91	Q89-K93 WeakPolarHBondContact O-CG 3.43Å; Q89-K93 PolarHBondContact O-N 3.38Å; I90-K93 WeakPolarHBondContact O-CB 3.47Å; I90-K93 PolarHBondContact O-N 3.12Å; I90-K93 VanDerWaalsContact O-N 3.15Å; A91-K93 PolarHBondContact O-N 2.88Å
94	I	93.5	Very high	95.9	Very high	64 Å²	64	44 Å²	44	33%	0.328	22%	0.222	S	C	.	.	H	α-helix	trans	-77.9	-59.8	174.6	-60.2	164.9	0	0	0	109.6	L72 I78 I90 A91 C92 L98 L126	L72-I94 HydrophobicContact CD1-CD1 3.6Å; L72-I94 HydrophobicContact CD1-CG1 4.32Å; L72-I94 HydrophobicContact CD2-CD1 4.41Å; I78-I94 HydrophobicContact CD1-CD1 4.49Å; I78-I94 HydrophobicContact CD1-CG1 4.22Å; I90-I94 HydrophobicContact CG2-CD1 4.34Å; I90-I94 WeakPolarHBondContact O-CG1 3.49Å; I90-I94 PolarHBondContact O-N 3Å; I90-I94 VanDerWaalsContact O-N 3.13Å; A91-I94 WeakPolarHBondContact O-CB 3.5Å; A91-I94 PolarHBondContact O-N 3.32Å; A91-I94 VanDerWaalsContact O-N 3.12Å; C92-I94 PolarHBondContact O-N 3.44Å; I94-L98 HydrophobicContact CB-CD2 4.04Å; I94-L98 HydrophobicContact CD1-CD2 4.04Å; I94-L98 HydrophobicContact CG2-CD2 3.69Å; I94-L126 HydrophobicContact CD1-CD1 4.1Å
95	S	95.3	Very high	96	Very high	48 Å²	48	39.4 Å²	39.4	34%	0.336	21%	0.205	S	C	.	.			trans	-167.3	148.7	169.3	67.5	0	0	0	0	111.6	A91 S97 L98 A99	A91-S95 CarbonylContact O-C 3.54Å; A91-S95 PolarHBondContact O-N 2.89Å; S95-S97 VanDerWaalsContact C-N 3.3Å; S95-S97 PolarHBondContact O-N 3.27Å; S95-L98 PolarHBondContact O-N 3.31Å; S95-L98 WeakPolarHBondContact OG-CB 3.28Å; S95-L98 PolarHBondContact OG-N 2.78Å; S95-L98 VanDerWaalsContact OG-N 3.13Å; S95-A99 PolarHBondContact O-N 3.43Å; S95-A99 VanDerWaalsContact O-N 3.11Å
96	Q	94.7	Very high	96	Very high	98 Å²	98	40.6 Å²	40.6	46%	0.458	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-40.1	174.8	-170.1	60.6	45.4	0	0	112.1	L98 A99 D100	Q96-L98 VanDerWaalsContact C-N 3.31Å; Q96-L98 PolarHBondContact O-N 2.77Å; Q96-A99 PolarHBondContact O-N 3.24Å; Q96-D100 PolarHBondContact NE2-OD1 2.99Å; Q96-D100 WeakPolarHBondContact O-CB 3.45Å; Q96-D100 VanDerWaalsContact O-CG 3.27Å; Q96-D100 PolarHBondContact O-N 3.43Å
97	S	94.5	Very high	96	Very high	71 Å²	71	40.5 Å²	40.5	50%	0.497	21%	0.209	S	C	.	.	H	α-helix	trans	-61.9	-37.8	178.5	-176.7	0	0	0	0	112.5	S95 Q101	S95-S97 VanDerWaalsContact C-N 3.3Å; S95-S97 PolarHBondContact O-N 3.27Å; S97-Q101 VanDerWaalsContact O-CG 3.3Å; S97-Q101 WeakPolarHBondContact O-CG 3.45Å; S97-Q101 PolarHBondContact O-N 3.13Å
98	L	94.1	Very high	95.9	Very high	36 Å²	36	44.9 Å²	44.9	19%	0.188	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-50.2	174.9	179.1	61.7	0	0	0	109.9	I94 S95 Q96 D100 Q101 T102 L126	I94-L98 HydrophobicContact CB-CD2 4.04Å; I94-L98 HydrophobicContact CD1-CD2 4.04Å; I94-L98 HydrophobicContact CG2-CD2 3.69Å; S95-L98 PolarHBondContact O-N 3.31Å; S95-L98 WeakPolarHBondContact OG-CB 3.28Å; S95-L98 PolarHBondContact OG-N 2.78Å; S95-L98 VanDerWaalsContact OG-N 3.13Å; Q96-L98 VanDerWaalsContact C-N 3.31Å; Q96-L98 PolarHBondContact O-N 2.77Å; L98-D100 PolarHBondContact O-N 3.04Å; L98-Q101 PolarHBondContact O-N 3.09Å; L98-T102 PolarHBondContact O-N 3.38Å; L98-T102 PolarHBondContact O-OG1 3.25Å; L98-L126 HydrophobicContact CD2-CD1 3.81Å; L98-L126 HydrophobicContact CG-CD1 4.22Å
99	A	94.7	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.2	-36.2	179.1	0	0	0	0	0	113.3	Y88 A91 C92 S95 Q96	Y88-A99 HydrophobicContact CD2-CB 4.22Å; Y88-A99 HydrophobicContact CE2-CB 3.73Å; A91-A99 HydrophobicContact CB-CB 3.76Å; C92-A99 VanDerWaalsContact SG-CB 3.55Å; S95-A99 PolarHBondContact O-N 3.43Å; S95-A99 VanDerWaalsContact O-N 3.11Å; Q96-A99 PolarHBondContact O-N 3.24Å
100	D	92.9	Very high	95.7	Very high	86 Å²	86	50.5 Å²	50.5	46%	0.46	26%	0.263	S	S	.	.	H	α-helix	trans	-75.2	-31.6	178.4	-68.6	-18.5	0	0	0	112.9	Q96 L98 K256	Q96-D100 PolarHBondContact NE2-OD1 2.99Å; Q96-D100 WeakPolarHBondContact O-CB 3.45Å; Q96-D100 VanDerWaalsContact O-CG 3.27Å; Q96-D100 PolarHBondContact O-N 3.43Å; L98-D100 PolarHBondContact O-N 3.04Å; D100-K256 PolarHBondContact O-NZ 2.97Å
101	Q	94.5	Very high	95.7	Very high	97 Å²	97	53.1 Å²	53.1	45%	0.453	28%	0.279	S	S	.	.	H	α-helix	trans	-83.4	-25.7	177	-71.6	177	7.9	0	0	113.5	S97 L98 I103 K128	S97-Q101 VanDerWaalsContact O-CG 3.3Å; S97-Q101 WeakPolarHBondContact O-CG 3.45Å; S97-Q101 PolarHBondContact O-N 3.13Å; L98-Q101 PolarHBondContact O-N 3.09Å; Q101-I103 PolarHBondContact O-N 2.95Å; Q101-K128 HydrophobicContact CB-CD 4.44Å
102	T	97.5	Very high	95.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.282	C	S	.	.			trans	-64.6	131.1	178.8	-55.3	0	0	0	0	110.5	L98 I104 L114 L126 K256	L98-T102 PolarHBondContact O-N 3.38Å; L98-T102 PolarHBondContact O-OG1 3.25Å; T102-I104 WeakPolarHBondContact CG2-O 3.34Å; T102-L114 HydrophobicContact CG2-CD1 3.96Å; T102-L114 HydrophobicContact CG2-CD2 3.76Å; T102-L114 HydrophobicContact CG2-CG 4.44Å; T102-L126 HydrophobicContact CG2-CB 3.9Å; T102-L126 HydrophobicContact CG2-CD2 4.15Å; T102-K256 PolarHBondContact O-NZ 3.1Å
103	I	97.4	Very high	95.8	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	27%	0.273	C	S	.	.			trans	-92.5	-48.4	177.3	-61.5	-52.4	0	0	0	110	Q101 L127 F129 A134 Y138 V251 P288	Q101-I103 PolarHBondContact O-N 2.95Å; I103-L127 PolarHBondContact N-O 2.85Å; I103-F129 HydrophobicContact CG1-CB 4.01Å; I103-A134 HydrophobicContact CB-CB 4.1Å; I103-A134 HydrophobicContact CG2-CB 4.18Å; I103-Y138 HydrophobicContact CD1-CD2 3.93Å; I103-Y138 HydrophobicContact CD1-CE2 4.22Å; I103-Y138 HydrophobicContact CG2-CD2 4.09Å; I103-V251 HydrophobicContact CG2-CG1 3.87Å; I103-P288 HydrophobicContact CD1-CB 4.41Å
104	I	97.9	Very high	96	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	170.8	-177.1	-160.7	58.6	0	0	0	110.9	T102 W112 L127 A134 V137 P249	T102-I104 WeakPolarHBondContact CG2-O 3.34Å; I104-W112 WeakPolarHBondContact CD1-O 3.45Å; I104-W112 WeakPolarHBondContact CG1-O 3.07Å; I104-L127 HydrophobicContact CG2-CB 3.96Å; I104-L127 HydrophobicContact CG2-CD1 4.07Å; I104-L127 HydrophobicContact CG2-CG 4.41Å; I104-L127 PolarHBondContact N-O 2.91Å; I104-L127 PolarHBondContact O-N 2.69Å; I104-A134 HydrophobicContact CG2-CB 4.11Å; I104-V137 HydrophobicContact CB-CG1 4.17Å; I104-V137 HydrophobicContact CD1-CG1 4.07Å; I104-V137 HydrophobicContact CG1-CG1 4.03Å; I104-V137 HydrophobicContact CG1-CG2 4.27Å; I104-P249 HydrophobicContact CD1-CB 3.73Å; I104-P249 HydrophobicContact CD1-CG 3.64Å; I104-P249 HydrophobicContact CG1-CB 4.42Å; I104-P249 HydrophobicContact CG1-CG 3.78Å
105	S	97.8	Very high	96.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	161.1	171.3	44.7	0	0	0	0	112.8	P87 V111 W112 E125	P87-S105 WeakPolarHBondContact CB-OG 3.28Å; P87-S105 WeakPolarHBondContact CG-OG 3.48Å; S105-V111 WeakPolarHBondContact O-CA 3.15Å; S105-W112 PolarHBondContact N-O 2.68Å; S105-W112 PolarHBondContact O-N 2.83Å; S105-W112 PolarHBondContact OG-O 3.17Å; S105-E125 CarbonylContact C-O 3.57Å; S105-E125 WeakPolarHBondContact CA-O 3.34Å; S105-E125 WeakPolarHBondContact CB-O 3.16Å
106	K	97.7	Very high	96.2	Very high	32 Å²	32	46.6 Å²	46.6	14%	0.139	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137	159	-79.5	179.8	172.1	-179.7	0	110.5	E110 V111 L124 E125 L127 D133	K106-E110 CarbonylContact C-O 3.49Å; K106-E110 WeakPolarHBondContact CA-O 3.47Å; K106-V111 HydrophobicContact CG-CG1 4.33Å; K106-L124 WeakPolarHBondContact O-CA 3.46Å; K106-E125 HydrophobicContact CB-CB 4.17Å; K106-E125 HydrophobicContact CB-CG 4.41Å; K106-E125 PolarHBondContact N-O 3.37Å; K106-E125 PolarHBondContact O-N 2.9Å; K106-L127 HydrophobicContact CD-CD1 4.11Å; K106-L127 HydrophobicContact CG-CD1 3.92Å; K106-D133 WeakPolarHBondContact CE-OD2 3.47Å; K106-D133 IonicContact NZ-OD2 3.02Å; K106-D133 PolarHBondContact NZ-OD2 2.75Å
107	V	97.6	Very high	96.3	Very high	12 Å²	12	42.8 Å²	42.8	7%	0.073	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	113.4	174.2	175.1	0	0	0	0	107.1	D109 E110 W112 L118 C122 R123 L124	V107-D109 VanDerWaalsContact C-N 3.29Å; V107-D109 PolarHBondContact O-N 2.66Å; V107-E110 PolarHBondContact N-O 3.48Å; V107-E110 PolarHBondContact O-N 3.45Å; V107-E110 VanDerWaalsContact O-N 3.13Å; V107-W112 HydrophobicContact CB-CB 4.16Å; V107-W112 HydrophobicContact CB-CD2 4.08Å; V107-W112 HydrophobicContact CB-CE3 4.05Å; V107-W112 HydrophobicContact CB-CG 4.17Å; V107-W112 HydrophobicContact CG1-CE3 4.48Å; V107-W112 HydrophobicContact CG2-CB 3.7Å; V107-W112 HydrophobicContact CG2-CD2 3.87Å; V107-W112 HydrophobicContact CG2-CE3 4.37Å; V107-W112 HydrophobicContact CG2-CG 3.58Å; V107-L118 HydrophobicContact CG1-CD2 4.4Å; V107-L118 HydrophobicContact CG2-CD2 3.7Å; V107-C122 HydrophobicContact CG1-CB 3.66Å; V107-R123 WeakPolarHBondContact CA-O 3.44Å; V107-L124 HydrophobicContact CG2-CD1 4.12Å
108	N	96.7	Very high	96.4	Very high	92 Å²	92	39.4 Å²	39.4	49%	0.492	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	50.1	-173.5	-58.4	-26.9	0	0	0	112.2	E110 C122 R123	N108-E110 PolarHBondContact O-N 2.95Å; N108-E110 VanDerWaalsContact O-N 3.1Å; N108-C122 WeakPolarHBondContact OD1-CA 3.2Å; N108-C122 WeakPolarHBondContact OD1-CB 3.09Å; N108-R123 PolarHBondContact N-O 2.86Å; N108-R123 PolarHBondContact OD1-N 2.85Å
109	D	93.8	Very high	96.5	Very high	108 Å²	108	41.3 Å²	41.3	58%	0.578	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.1	-1	179.9	-52	-45.2	0	0	0	116.3	V107 R123	V107-D109 VanDerWaalsContact C-N 3.29Å; V107-D109 PolarHBondContact O-N 2.66Å; D109-R123 IonicContact OD1-NH1 3.48Å; D109-R123 PolarHBondContact OD1-NH1 2.8Å; D109-R123 VanDerWaalsContact OD1-NH1 3.12Å
110	E	95.9	Very high	96.6	Very high	137 Å²	137	44.1 Å²	44.1	64%	0.64	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	138	172.1	-63.5	-171.6	168	0	0	112.3	K106 V107 N108	K106-E110 CarbonylContact C-O 3.49Å; K106-E110 WeakPolarHBondContact CA-O 3.47Å; V107-E110 PolarHBondContact N-O 3.48Å; V107-E110 PolarHBondContact O-N 3.45Å; V107-E110 VanDerWaalsContact O-N 3.13Å; N108-E110 PolarHBondContact O-N 2.95Å; N108-E110 VanDerWaalsContact O-N 3.1Å
111	V	96.5	Very high	96.8	Very high	55 Å²	55	43.1 Å²	43.1	33%	0.333	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	137.7	177.3	-71.4	0	0	0	0	112.2	S105 K106 D133 P249	S105-V111 WeakPolarHBondContact O-CA 3.15Å; K106-V111 HydrophobicContact CG-CG1 4.33Å; V111-D133 HydrophobicContact CG1-CB 4.04Å; V111-P249 HydrophobicContact CB-CG 3.86Å; V111-P249 VanDerWaalsContact CG2-CD 3.47Å; V111-P249 HydrophobicContact CG2-CG 3.99Å
112	W	97.7	Very high	97	Very high	18 Å²	18	39 Å²	39	7%	0.068	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	133.8	-168.4	-163.2	-84.4	0	0	0	112.5	I104 S105 V107 R116 P117 E119	I104-W112 WeakPolarHBondContact CD1-O 3.45Å; I104-W112 WeakPolarHBondContact CG1-O 3.07Å; S105-W112 PolarHBondContact N-O 2.68Å; S105-W112 PolarHBondContact O-N 2.83Å; S105-W112 PolarHBondContact OG-O 3.17Å; V107-W112 HydrophobicContact CB-CB 4.16Å; V107-W112 HydrophobicContact CB-CD2 4.08Å; V107-W112 HydrophobicContact CB-CE3 4.05Å; V107-W112 HydrophobicContact CB-CG 4.17Å; V107-W112 HydrophobicContact CG1-CE3 4.48Å; V107-W112 HydrophobicContact CG2-CB 3.7Å; V107-W112 HydrophobicContact CG2-CD2 3.87Å; V107-W112 HydrophobicContact CG2-CE3 4.37Å; V107-W112 HydrophobicContact CG2-CG 3.58Å; W112-R116 HydrophobicContact CD2-CG 4.46Å; W112-R116 VanDerWaalsContact CH2-NE 3.32Å; W112-R116 VanDerWaalsContact CZ2-CD 3.46Å; W112-R116 HydrophobicContact CZ2-CG 3.69Å; W112-R116 VanDerWaalsContact NE1-CG 3.35Å; W112-R116 PolarHBondContact NE1-O 3.39Å; W112-P117 WeakPolarHBondContact CZ2-O 3.28Å; W112-E119 HydrophobicContact CH2-CG 4.05Å; W112-E119 WeakPolarHBondContact CH2-OE1 3.32Å; W112-E119 HydrophobicContact CZ2-CG 4.12Å
113	D	97.7	Very high	97	Very high	15 Å²	15	43.7 Å²	43.7	8%	0.08	23%	0.23	C	C	.	.			trans	-62	137.4	178.8	-49.3	-95.2	0	0	0	112	D115 R116 Y237 P249 H250	D113-D115 PolarHBondContact O-N 3.41Å; D113-D115 VanDerWaalsContact O-N 3.15Å; D113-R116 HydrophobicContact CB-CB 3.81Å; D113-R116 PolarHBondContact O-N 2.89Å; D113-Y237 VanDerWaalsContact OD1-CE1 3.32Å; D113-Y237 WeakPolarHBondContact OD1-CE1 3.37Å; D113-Y237 PolarHBondContact OD1-OH 2.95Å; D113-Y237 VanDerWaalsContact OD1-OH 3.12Å; D113-Y237 PolarHBondContact OD2-OH 3.34Å; D113-P249 HydrophobicContact CB-CB 4.24Å; D113-P249 VanDerWaalsContact OD1-CA 3.28Å; D113-P249 WeakPolarHBondContact OD1-CA 3.34Å; D113-P249 WeakPolarHBondContact OD1-CB 3.31Å; D113-P249 WeakPolarHBondContact OD2-CB 3.4Å; D113-H250 PolarHBondContact OD1-N 3.12Å
114	L	97.5	Very high	97	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.7	-178.8	-71.5	176.2	0	0	0	113.6	T86 P87 Y88 T102 L126 R252	T86-L114 VanDerWaalsContact CB-O 3.29Å; T86-L114 WeakPolarHBondContact CB-O 3.37Å; T86-L114 PolarHBondContact OG1-O 3.01Å; P87-L114 HydrophobicContact CB-CD2 3.97Å; P87-L114 WeakPolarHBondContact CD-O 3.45Å; Y88-L114 WeakPolarHBondContact CB-O 3.36Å; Y88-L114 PolarHBondContact N-O 2.86Å; T102-L114 HydrophobicContact CG2-CD1 3.96Å; T102-L114 HydrophobicContact CG2-CD2 3.76Å; T102-L114 HydrophobicContact CG2-CG 4.44Å; L114-L126 HydrophobicContact CD2-CD2 4.23Å; L114-R252 HydrophobicContact CB-CG 3.81Å; L114-R252 HydrophobicContact CD1-CG 3.97Å; L114-R252 HydrophobicContact CG-CG 4.5Å
115	D	96.5	Very high	97	Very high	64 Å²	64	45.1 Å²	45.1	34%	0.342	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-1.5	177.3	-63.6	-63.3	0	0	0	113.2	T86 D113 P117 R252	T86-D115 WeakPolarHBondContact CG2-O 3.33Å; D113-D115 PolarHBondContact O-N 3.41Å; D113-D115 VanDerWaalsContact O-N 3.15Å; D115-P117 WeakPolarHBondContact O-CD 3.3Å; D115-R252 VanDerWaalsContact CG-NE 3.28Å; D115-R252 IonicContact OD1-CZ 2.69Å; D115-R252 IonicContact OD1-NE 2.82Å; D115-R252 PolarHBondContact OD1-NE 2.88Å; D115-R252 IonicContact OD1-NH2 3.34Å; D115-R252 PolarHBondContact OD1-NH2 3.3Å; D115-R252 WeakPolarHBondContact OD2-CB 3.31Å; D115-R252 WeakPolarHBondContact OD2-CG 3.28Å; D115-R252 IonicContact OD2-CZ 2.67Å; D115-R252 IonicContact OD2-NE 3.62Å; D115-R252 PolarHBondContact OD2-NE 2.8Å; D115-R252 IonicContact OD2-NH2 3.63Å
116	R	95.7	Very high	97	Very high	51 Å²	51	46.8 Å²	46.8	19%	0.192	25%	0.245	C	C	.	.	S	Bend	trans	-77.6	123.1	174.8	178	179.7	176	-166.3	-2.7	109.5	P87 W112 D113 E119	P87-R116 WeakPolarHBondContact CD-O 3.44Å; W112-R116 HydrophobicContact CD2-CG 4.46Å; W112-R116 VanDerWaalsContact CH2-NE 3.32Å; W112-R116 VanDerWaalsContact CZ2-CD 3.46Å; W112-R116 HydrophobicContact CZ2-CG 3.69Å; W112-R116 VanDerWaalsContact NE1-CG 3.35Å; W112-R116 PolarHBondContact NE1-O 3.39Å; D113-R116 HydrophobicContact CB-CB 3.81Å; D113-R116 PolarHBondContact O-N 2.89Å; R116-E119 IonicContact CZ-OE1 3.24Å; R116-E119 IonicContact NE-OE1 2.95Å; R116-E119 IonicContact NH2-OE1 2.66Å; R116-E119 PolarHBondContact NH2-OE1 2.72Å
117	P	97	Very high	97	Very high	17 Å²	17	45.7 Å²	45.7	11%	0.11	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-60.2	143.9	178.8	-23.4	33.7	0	0	0	112.6	L60 T85 T86 W112 D115	L60-P117 HydrophobicContact CD1-CG 4.48Å; L60-P117 HydrophobicContact CD2-CG 4.35Å; T85-P117 WeakPolarHBondContact O-CA 3.38Å; T86-P117 HydrophobicContact CG2-CG 4.37Å; W112-P117 WeakPolarHBondContact CZ2-O 3.28Å; D115-P117 WeakPolarHBondContact O-CD 3.3Å
118	L	97.6	Very high	96.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-71.8	139.2	172.8	-62.3	173.9	0	0	0	110	I68 V70 S82 W83 T85 P87 V107	I68-L118 HydrophobicContact CD1-CB 3.81Å; V70-L118 HydrophobicContact CG1-CD1 4.44Å; V70-L118 HydrophobicContact CG2-CD1 3.51Å; S82-L118 CarbonylContact C-O 3.59Å; S82-L118 WeakPolarHBondContact CA-O 3.11Å; W83-L118 PolarHBondContact N-O 3.19Å; T85-L118 PolarHBondContact O-N 3.21Å; P87-L118 HydrophobicContact CG-CD2 4.02Å; V107-L118 HydrophobicContact CG1-CD2 4.4Å; V107-L118 HydrophobicContact CG2-CD2 3.7Å
119	E	96.1	Very high	96.9	Very high	76 Å²	76	45.6 Å²	45.6	36%	0.355	24%	0.235	S	C	.	.			trans	-100	-28.2	-171.4	-56.2	-175	-165.7	0	0	112.6	S82 W83 W112 R116	S82-E119 WeakPolarHBondContact CB-O 3.28Å; W83-E119 HydrophobicContact CE3-CG 4.08Å; W83-E119 HydrophobicContact CH2-CB 3.85Å; W83-E119 HydrophobicContact CH2-CG 3.52Å; W83-E119 VanDerWaalsContact CH2-OE2 3.28Å; W83-E119 WeakPolarHBondContact CH2-OE2 3.25Å; W83-E119 HydrophobicContact CZ2-CB 3.9Å; W83-E119 HydrophobicContact CZ2-CG 4.08Å; W83-E119 HydrophobicContact CZ3-CB 4.26Å; W83-E119 HydrophobicContact CZ3-CG 3.52Å; W112-E119 HydrophobicContact CH2-CG 4.05Å; W112-E119 WeakPolarHBondContact CH2-OE1 3.32Å; W112-E119 HydrophobicContact CZ2-CG 4.12Å; R116-E119 IonicContact CZ-OE1 3.24Å; R116-E119 IonicContact NE-OE1 2.95Å; R116-E119 IonicContact NH2-OE1 2.66Å; R116-E119 PolarHBondContact NH2-OE1 2.72Å
120	A	96.5	Very high	96.8	Very high	58 Å²	58	46.3 Å²	46.3	48%	0.479	24%	0.239	S	C	.	.	S	Bend	trans	-154	174.2	-178.9	0	0	0	0	0	110.2	I68 C122	I68-A120 WeakPolarHBondContact CD1-O 3.44Å; A120-C122 PolarHBondContact O-N 3.21Å
121	S	97.9	Very high	96.8	Very high	66 Å²	66	43 Å²	43	46%	0.462	22%	0.223	S	C	.	.	S	Bend	trans	-56.1	136	170.2	-59.7	0	0	0	0	110.5	E69	E69-S121 PolarHBondContact N-OG 2.98Å; E69-S121 CarbonylContact O-C 3.56Å; E69-S121 WeakPolarHBondContact O-CA 3.25Å; E69-S121 VanDerWaalsContact O-CB 3.32Å; E69-S121 WeakPolarHBondContact O-CB 3.44Å
122	C	97.6	Very high	96.6	Very high	11 Å²	11	45.4 Å²	45.4	7%	0.074	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	163.1	-169.9	66	0	0	0	0	113.3	E69 V70 T71 V107 N108 A120	E69-C122 PolarHBondContact O-N 3.43Å; V70-C122 WeakPolarHBondContact CA-O 3.4Å; T71-C122 PolarHBondContact N-O 2.8Å; V107-C122 HydrophobicContact CG1-CB 3.66Å; N108-C122 WeakPolarHBondContact OD1-CA 3.2Å; N108-C122 WeakPolarHBondContact OD1-CB 3.09Å; A120-C122 PolarHBondContact O-N 3.21Å
123	R	97.6	Very high	96.4	Very high	97 Å²	97	47.2 Å²	47.2	37%	0.366	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.7	165	-173.9	173	179.3	-94.1	-13.9	108.9	T71 V107 N108 D109 E125	T71-R123 CarbonylContact O-C 3.53Å; T71-R123 WeakPolarHBondContact O-CA 3.49Å; V107-R123 WeakPolarHBondContact CA-O 3.44Å; N108-R123 PolarHBondContact N-O 2.86Å; N108-R123 PolarHBondContact OD1-N 2.85Å; D109-R123 IonicContact OD1-NH1 3.48Å; D109-R123 PolarHBondContact OD1-NH1 2.8Å; D109-R123 VanDerWaalsContact OD1-NH1 3.12Å; R123-E125 IonicContact CZ-OE1 2.71Å; R123-E125 IonicContact NH1-OE1 3.43Å; R123-E125 PolarHBondContact NH1-OE1 3.1Å; R123-E125 IonicContact NH2-OE1 3.27Å; R123-E125 PolarHBondContact NH2-OE1 3.13Å
124	L	98	Very high	96.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.1	-178.6	174.2	66	0	0	0	110.7	V70 T71 L72 P73 P87 I90 K106 V107 L126	V70-L124 HydrophobicContact CG1-CB 3.41Å; V70-L124 VanDerWaalsContact CG1-CB 3.41Å; V70-L124 HydrophobicContact CG1-CD2 3.72Å; V70-L124 HydrophobicContact CG1-CG 4.2Å; T71-L124 PolarHBondContact O-N 2.8Å; L72-L124 HydrophobicContact CD2-CB 4.3Å; L72-L124 HydrophobicContact CD2-CD2 4.23Å; L72-L124 HydrophobicContact CD2-CG 4.37Å; P73-L124 WeakPolarHBondContact CD-O 3.34Å; P87-L124 HydrophobicContact CB-CD1 3.91Å; P87-L124 HydrophobicContact CB-CD2 4.38Å; P87-L124 HydrophobicContact CG-CD1 4.11Å; I90-L124 HydrophobicContact CB-CD2 3.96Å; I90-L124 HydrophobicContact CG1-CD2 4.27Å; I90-L124 HydrophobicContact CG2-CD2 3.76Å; K106-L124 WeakPolarHBondContact O-CA 3.46Å; V107-L124 HydrophobicContact CG2-CD1 4.12Å; L124-L126 HydrophobicContact CD1-CD2 4.3Å; L124-L126 HydrophobicContact CD2-CD2 4.31Å; L124-L126 HydrophobicContact CG-CD2 4.35Å
125	E	97.5	Very high	96.4	Very high	36 Å²	36	48.9 Å²	48.9	17%	0.168	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.8	167.6	-44.3	-168.3	158.2	0	0	110.4	P73 S105 K106 R123 L127	P73-E125 HydrophobicContact CG-CB 4.35Å; P73-E125 HydrophobicContact CG-CG 4.08Å; S105-E125 CarbonylContact C-O 3.57Å; S105-E125 WeakPolarHBondContact CA-O 3.34Å; S105-E125 WeakPolarHBondContact CB-O 3.16Å; K106-E125 HydrophobicContact CB-CB 4.17Å; K106-E125 HydrophobicContact CB-CG 4.41Å; K106-E125 PolarHBondContact N-O 3.37Å; K106-E125 PolarHBondContact O-N 2.9Å; R123-E125 IonicContact CZ-OE1 2.71Å; R123-E125 IonicContact NH1-OE1 3.43Å; R123-E125 PolarHBondContact NH1-OE1 3.1Å; R123-E125 IonicContact NH2-OE1 3.27Å; R123-E125 PolarHBondContact NH2-OE1 3.13Å; E125-L127 HydrophobicContact CB-CD2 4.21Å
126	L	97.5	Very high	96.4	Very high	34 Å²	34	49.1 Å²	49.1	18%	0.178	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.7	176.9	-62.2	175.3	0	0	0	108.7	P87 A91 I94 L98 T102 L114 L124	P87-L126 HydrophobicContact CB-CD2 4.46Å; A91-L126 HydrophobicContact CB-CD1 3.64Å; A91-L126 HydrophobicContact CB-CD2 4.27Å; I94-L126 HydrophobicContact CD1-CD1 4.1Å; L98-L126 HydrophobicContact CD2-CD1 3.81Å; L98-L126 HydrophobicContact CG-CD1 4.22Å; T102-L126 HydrophobicContact CG2-CB 3.9Å; T102-L126 HydrophobicContact CG2-CD2 4.15Å; L114-L126 HydrophobicContact CD2-CD2 4.23Å; L124-L126 HydrophobicContact CD1-CD2 4.3Å; L124-L126 HydrophobicContact CD2-CD2 4.31Å; L124-L126 HydrophobicContact CG-CD2 4.35Å
127	L	97.7	Very high	96.5	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.052	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.3	-172.3	-53.5	-173.7	0	0	0	111.4	I103 I104 K106 E125 H131 D133 A134	I103-L127 PolarHBondContact N-O 2.85Å; I104-L127 HydrophobicContact CG2-CB 3.96Å; I104-L127 HydrophobicContact CG2-CD1 4.07Å; I104-L127 HydrophobicContact CG2-CG 4.41Å; I104-L127 PolarHBondContact N-O 2.91Å; I104-L127 PolarHBondContact O-N 2.69Å; K106-L127 HydrophobicContact CD-CD1 4.11Å; K106-L127 HydrophobicContact CG-CD1 3.92Å; E125-L127 HydrophobicContact CB-CD2 4.21Å; L127-H131 HydrophobicContact CB-CB 4.33Å; L127-D133 HydrophobicContact CD1-CB 4.04Å; L127-A134 HydrophobicContact CB-CB 4.03Å
128	K	96.5	Very high	96.5	Very high	78 Å²	78	46.3 Å²	46.3	34%	0.339	24%	0.239	S	C	.	.			trans	-93.4	171.6	170.8	-60.6	-176.8	-172	-169.8	0	109.8	Q101 D130 H131 A134	Q101-K128 HydrophobicContact CB-CD 4.44Å; K128-D130 WeakPolarHBondContact CB-OD1 3.19Å; K128-D130 PolarHBondContact O-N 2.69Å; K128-D130 VanDerWaalsContact O-N 3.12Å; K128-H131 PolarHBondContact O-N 3.12Å; K128-H131 VanDerWaalsContact O-N 3.15Å; K128-A134 WeakPolarHBondContact O-CB 3.25Å
129	F	95.6	Very high	96.5	Very high	24 Å²	24	46.8 Å²	46.8	11%	0.105	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.8	-173.9	-173	-100	0	0	0	115.1	I103 H131 K135 Y138 W139 F287 P288 L292	I103-F129 HydrophobicContact CG1-CB 4.01Å; F129-H131 VanDerWaalsContact C-N 3.3Å; F129-K135 HydrophobicContact CD2-CG 4.4Å; F129-K135 HydrophobicContact CE1-CG 4.39Å; F129-K135 HydrophobicContact CE2-CG 4.19Å; F129-K135 HydrophobicContact CZ-CG 4.19Å; F129-K135 WeakPolarHBondContact O-CE 3.18Å; F129-K135 WeakPolarHBondContact O-CG 3.32Å; F129-Y138 HydrophobicContact CD2-CD1 4.1Å; F129-Y138 HydrophobicContact CD2-CD2 4.12Å; F129-Y138 AromaticContact CD2-CG 3.82Å; F129-Y138 HydrophobicContact CD2-CG 3.82Å; F129-Y138 AromaticContact CE2-CD1 3.47Å; F129-Y138 HydrophobicContact CE2-CD1 3.47Å; F129-Y138 VanDerWaalsContact CE2-CD1 3.47Å; F129-Y138 HydrophobicContact CE2-CD2 4.31Å; F129-Y138 HydrophobicContact CE2-CE1 4.01Å; F129-Y138 AromaticContact CE2-CG 3.63Å; F129-Y138 HydrophobicContact CE2-CG 3.63Å; F129-Y138 HydrophobicContact CZ-CD1 4.42Å; F129-W139 HydrophobicContact CZ-CZ2 4.41Å; F129-F287 AromaticContact CE1-CD1 3.64Å; F129-F287 HydrophobicContact CE1-CD1 3.64Å; F129-F287 HydrophobicContact CE1-CE1 4.16Å; F129-F287 AromaticContact CZ-CD1 3.72Å; F129-F287 HydrophobicContact CZ-CD1 3.72Å; F129-F287 HydrophobicContact CZ-CE1 4.21Å; F129-P288 HydrophobicContact CB-CG 3.71Å; F129-P288 HydrophobicContact CD1-CG 3.83Å; F129-P288 HydrophobicContact CD2-CG 3.96Å; F129-P288 HydrophobicContact CE1-CG 4.48Å; F129-P288 HydrophobicContact CG-CG 3.54Å; F129-L292 HydrophobicContact CD1-CD1 3.84Å; F129-L292 HydrophobicContact CE1-CD1 4.01Å
130	D	92.7	Very high	96.6	Very high	123 Å²	123	44.8 Å²	44.8	66%	0.658	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.4	174.7	51.1	-2.4	0	0	0	113.1	K128 K135	K128-D130 WeakPolarHBondContact CB-OD1 3.19Å; K128-D130 PolarHBondContact O-N 2.69Å; K128-D130 VanDerWaalsContact O-N 3.12Å; D130-K135 WeakPolarHBondContact O-CE 3.47Å; D130-K135 PolarHBondContact O-NZ 3.32Å; D130-K135 VanDerWaalsContact O-NZ 3.11Å
131	H	94.8	Very high	96.7	Very high	67 Å²	67	42 Å²	42	31%	0.31	21%	0.208	S	C	.	.	S	Bend	trans	-77	139.1	175.9	-165.9	-70.1	0	0	0	112.3	L127 K128 F129 D133 A134 K135	L127-H131 HydrophobicContact CB-CB 4.33Å; K128-H131 PolarHBondContact O-N 3.12Å; K128-H131 VanDerWaalsContact O-N 3.15Å; F129-H131 VanDerWaalsContact C-N 3.3Å; H131-D133 IonicContact CE1-OD2 2.8Å; H131-D133 PolarHBondContact CE1-OD2 3.28Å; H131-D133 VanDerWaalsContact CE1-OD2 3.22Å; H131-D133 PolarHBondContact ND1-N 2.8Å; H131-D133 VanDerWaalsContact ND1-N 3.2Å; H131-D133 IonicContact ND1-OD2 3.63Å; H131-D133 PolarHBondContact O-N 2.89Å; H131-A134 HydrophobicContact CB-CB 4.23Å; H131-A134 WeakPolarHBondContact O-CB 3.44Å; H131-A134 PolarHBondContact O-N 2.99Å; H131-A134 VanDerWaalsContact O-N 3.1Å; H131-K135 PolarHBondContact O-N 2.65Å
132	D	92.8	Very high	96.7	Very high	106 Å²	106	38.9 Å²	38.9	57%	0.567	19%	0.187	S	C	*	.	H	α-helix	trans	-64.1	-44.7	-174	-69.9	-22.6	0	0	0	113.3	A134 K135 Q136	D132-A134 PolarHBondContact O-N 2.69Å; D132-K135 WeakPolarHBondContact O-CB 3.47Å; D132-K135 PolarHBondContact O-N 2.84Å; D132-K135 IonicContact OD1-NZ 3.21Å; D132-K135 PolarHBondContact OD1-NZ 3.16Å; D132-Q136 WeakPolarHBondContact O-CG 3.5Å; D132-Q136 PolarHBondContact O-N 2.96Å
133	D	94.8	Very high	96.7	Very high	56 Å²	56	38.3 Å²	38.3	30%	0.299	18%	0.183	S	C	.	.	H	α-helix	trans	-56.6	-36.6	173.1	-64.1	-30.3	0	0	0	113.1	K106 V111 L127 H131 Q136 V137	K106-D133 WeakPolarHBondContact CE-OD2 3.47Å; K106-D133 IonicContact NZ-OD2 3.02Å; K106-D133 PolarHBondContact NZ-OD2 2.75Å; V111-D133 HydrophobicContact CG1-CB 4.04Å; L127-D133 HydrophobicContact CD1-CB 4.04Å; H131-D133 IonicContact CE1-OD2 2.8Å; H131-D133 PolarHBondContact CE1-OD2 3.28Å; H131-D133 VanDerWaalsContact CE1-OD2 3.22Å; H131-D133 PolarHBondContact ND1-N 2.8Å; H131-D133 VanDerWaalsContact ND1-N 3.2Å; H131-D133 IonicContact ND1-OD2 3.63Å; H131-D133 PolarHBondContact O-N 2.89Å; D133-Q136 PolarHBondContact O-N 2.98Å; D133-V137 WeakPolarHBondContact O-CG2 3.47Å; D133-V137 PolarHBondContact O-N 3.33Å
134	A	96.9	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-69.5	-38.9	176.8	0	0	0	0	0	111.8	I103 I104 L127 K128 H131 D132 Y138	I103-A134 HydrophobicContact CB-CB 4.1Å; I103-A134 HydrophobicContact CG2-CB 4.18Å; I104-A134 HydrophobicContact CG2-CB 4.11Å; L127-A134 HydrophobicContact CB-CB 4.03Å; K128-A134 WeakPolarHBondContact O-CB 3.25Å; H131-A134 HydrophobicContact CB-CB 4.23Å; H131-A134 WeakPolarHBondContact O-CB 3.44Å; H131-A134 PolarHBondContact O-N 2.99Å; H131-A134 VanDerWaalsContact O-N 3.1Å; D132-A134 PolarHBondContact O-N 2.69Å; A134-Y138 WeakPolarHBondContact O-CB 3.36Å; A134-Y138 PolarHBondContact O-N 2.79Å
135	K	96.9	Very high	96.8	Very high	51 Å²	51	33.8 Å²	33.8	22%	0.222	17%	0.166	C	C	.	.	H	α-helix	trans	-61.5	-46.5	173.5	-64.3	174.9	-163.4	143	0	111.1	F129 D130 H131 D132 V137 Y138 W139	F129-K135 HydrophobicContact CD2-CG 4.4Å; F129-K135 HydrophobicContact CE1-CG 4.39Å; F129-K135 HydrophobicContact CE2-CG 4.19Å; F129-K135 HydrophobicContact CZ-CG 4.19Å; F129-K135 WeakPolarHBondContact O-CE 3.18Å; F129-K135 WeakPolarHBondContact O-CG 3.32Å; D130-K135 WeakPolarHBondContact O-CE 3.47Å; D130-K135 PolarHBondContact O-NZ 3.32Å; D130-K135 VanDerWaalsContact O-NZ 3.11Å; H131-K135 PolarHBondContact O-N 2.65Å; D132-K135 WeakPolarHBondContact O-CB 3.47Å; D132-K135 PolarHBondContact O-N 2.84Å; D132-K135 IonicContact OD1-NZ 3.21Å; D132-K135 PolarHBondContact OD1-NZ 3.16Å; K135-V137 PolarHBondContact O-N 3.1Å; K135-Y138 PolarHBondContact O-N 3.47Å; K135-W139 HydrophobicContact CB-CD2 4.4Å; K135-W139 HydrophobicContact CB-CE3 4.18Å; K135-W139 HydrophobicContact CB-CH2 3.86Å; K135-W139 HydrophobicContact CB-CZ2 4.11Å; K135-W139 HydrophobicContact CB-CZ3 3.9Å; K135-W139 HydrophobicContact CD-CH2 4.05Å; K135-W139 HydrophobicContact CD-CZ2 4.4Å; K135-W139 HydrophobicContact CG-CH2 4.39Å; K135-W139 HydrophobicContact CG-CZ2 4.47Å; K135-W139 WeakPolarHBondContact O-CB 3.26Å; K135-W139 PolarHBondContact O-N 3.02Å
136	Q	96.5	Very high	96.8	Very high	69 Å²	69	32 Å²	32	32%	0.322	16%	0.158	S	C	.	.	H	α-helix	trans	-58.4	-49.7	178.7	-65.8	-58.9	-39.1	0	0	111.1	D132 D133 Y138 W139 H140 P163	D132-Q136 WeakPolarHBondContact O-CG 3.5Å; D132-Q136 PolarHBondContact O-N 2.96Å; D133-Q136 PolarHBondContact O-N 2.98Å; Q136-Y138 VanDerWaalsContact C-N 3.34Å; Q136-Y138 PolarHBondContact O-N 3.07Å; Q136-W139 PolarHBondContact O-N 3.24Å; Q136-H140 WeakPolarHBondContact O-CB 3.2Å; Q136-H140 PolarHBondContact O-N 3.35Å; Q136-P163 HydrophobicContact CB-CG 4.26Å; Q136-P163 VanDerWaalsContact O-CB 3.3Å; Q136-P163 WeakPolarHBondContact O-CB 3.33Å; Q136-P163 VanDerWaalsContact OE1-CB 3.23Å
137	V	97.5	Very high	96.8	Very high	10 Å²	10	30.4 Å²	30.4	6%	0.061	15%	0.149	C	C	.	.	H	α-helix	trans	-62.8	-40	177	169.6	0	0	0	0	112.1	I104 D133 K135 S141 P249	I104-V137 HydrophobicContact CB-CG1 4.17Å; I104-V137 HydrophobicContact CD1-CG1 4.07Å; I104-V137 HydrophobicContact CG1-CG1 4.03Å; I104-V137 HydrophobicContact CG1-CG2 4.27Å; D133-V137 WeakPolarHBondContact O-CG2 3.47Å; D133-V137 PolarHBondContact O-N 3.33Å; K135-V137 PolarHBondContact O-N 3.1Å; V137-S141 WeakPolarHBondContact O-CB 3.31Å; V137-S141 PolarHBondContact O-N 3.39Å; V137-S141 PolarHBondContact O-OG 3.21Å; V137-P249 HydrophobicContact CG1-CG 4.47Å; V137-P249 HydrophobicContact CG2-CG 3.96Å
138	Y	98	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-47.2	179.8	-173.7	-86.7	0	0	0	112.4	I103 F129 A134 K135 Q136 S141 T142 V251 K256 I257 S286 F287 P288	I103-Y138 HydrophobicContact CD1-CD2 3.93Å; I103-Y138 HydrophobicContact CD1-CE2 4.22Å; I103-Y138 HydrophobicContact CG2-CD2 4.09Å; F129-Y138 HydrophobicContact CD2-CD1 4.1Å; F129-Y138 HydrophobicContact CD2-CD2 4.12Å; F129-Y138 AromaticContact CD2-CG 3.82Å; F129-Y138 HydrophobicContact CD2-CG 3.82Å; F129-Y138 AromaticContact CE2-CD1 3.47Å; F129-Y138 HydrophobicContact CE2-CD1 3.47Å; F129-Y138 VanDerWaalsContact CE2-CD1 3.47Å; F129-Y138 HydrophobicContact CE2-CD2 4.31Å; F129-Y138 HydrophobicContact CE2-CE1 4.01Å; F129-Y138 AromaticContact CE2-CG 3.63Å; F129-Y138 HydrophobicContact CE2-CG 3.63Å; F129-Y138 HydrophobicContact CZ-CD1 4.42Å; A134-Y138 WeakPolarHBondContact O-CB 3.36Å; A134-Y138 PolarHBondContact O-N 2.79Å; K135-Y138 PolarHBondContact O-N 3.47Å; Q136-Y138 VanDerWaalsContact C-N 3.34Å; Q136-Y138 PolarHBondContact O-N 3.07Å; Y138-S141 PolarHBondContact O-N 2.83Å; Y138-T142 PolarHBondContact O-N 3.31Å; Y138-T142 PolarHBondContact O-OG1 3.06Å; Y138-V251 HydrophobicContact CD2-CG1 4.07Å; Y138-K256 PolarHBondContact OH-O 3.5Å; Y138-I257 VanDerWaalsContact OH-CA 3.25Å; Y138-I257 WeakPolarHBondContact OH-CA 3.37Å; Y138-S286 VanDerWaalsContact CE1-OG 3.25Å; Y138-S286 WeakPolarHBondContact CE1-OG 3.36Å; Y138-F287 PolarHBondContact OH-O 3.25Å; Y138-P288 HydrophobicContact CE2-CB 4.04Å; Y138-P288 VanDerWaalsContact OH-CA 3.25Å; Y138-P288 WeakPolarHBondContact OH-CA 3.13Å
139	W	98.2	Very high	96.8	Very high	11 Å²	11	26.3 Å²	26.3	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-68.1	-39.2	177.3	-65.9	-31.8	0	0	0	111.8	F129 K135 Q136 S141 T142 A143 P163 I164 G167 F168 S286	F129-W139 HydrophobicContact CZ-CZ2 4.41Å; K135-W139 HydrophobicContact CB-CD2 4.4Å; K135-W139 HydrophobicContact CB-CE3 4.18Å; K135-W139 HydrophobicContact CB-CH2 3.86Å; K135-W139 HydrophobicContact CB-CZ2 4.11Å; K135-W139 HydrophobicContact CB-CZ3 3.9Å; K135-W139 HydrophobicContact CD-CH2 4.05Å; K135-W139 HydrophobicContact CD-CZ2 4.4Å; K135-W139 HydrophobicContact CG-CH2 4.39Å; K135-W139 HydrophobicContact CG-CZ2 4.47Å; K135-W139 WeakPolarHBondContact O-CB 3.26Å; K135-W139 PolarHBondContact O-N 3.02Å; Q136-W139 PolarHBondContact O-N 3.24Å; W139-S141 VanDerWaalsContact C-N 3.31Å; W139-S141 PolarHBondContact O-N 2.95Å; W139-T142 CarbonylContact O-C 3.57Å; W139-T142 WeakPolarHBondContact O-CA 3.27Å; W139-T142 WeakPolarHBondContact O-CB 3.19Å; W139-T142 PolarHBondContact O-N 3.35Å; W139-A143 PolarHBondContact O-N 2.92Å; W139-P163 HydrophobicContact CB-CB 4.02Å; W139-I164 VanDerWaalsContact CE3-O 3.28Å; W139-I164 WeakPolarHBondContact CZ3-O 3.4Å; W139-G167 VanDerWaalsContact CB-O 3.29Å; W139-G167 WeakPolarHBondContact CB-O 3.46Å; W139-F168 HydrophobicContact CB-CB 4.19Å; W139-F168 HydrophobicContact CB-CD1 4.04Å; W139-F168 WeakPolarHBondContact O-CD1 3.47Å; W139-F168 WeakPolarHBondContact O-CG 3.18Å; W139-S286 PolarHBondContact NE1-O 3.4Å; W139-S286 VanDerWaalsContact NE1-O 3.07Å
140	H	97.8	Very high	96.8	Very high	33 Å²	33	25.3 Å²	25.3	15%	0.153	13%	0.127	C	C	.	.	H	α-helix	trans	-59.3	-42.6	173	-175.3	-159.7	0	0	0	112.2	Q136 T142 A143 H144 G161 P163 C246 H250	Q136-H140 WeakPolarHBondContact O-CB 3.2Å; Q136-H140 PolarHBondContact O-N 3.35Å; H140-T142 VanDerWaalsContact C-N 3.27Å; H140-T142 PolarHBondContact O-N 2.83Å; H140-A143 VanDerWaalsContact O-CB 3.25Å; H140-A143 WeakPolarHBondContact O-CB 3.44Å; H140-A143 PolarHBondContact O-N 2.67Å; H140-A143 VanDerWaalsContact O-N 3.16Å; H140-H144 AromaticContact CD2-CD2 3.96Å; H140-H144 AromaticContact CD2-NE2 3.99Å; H140-H144 AromaticContact NE2-CD2 4Å; H140-H144 AromaticContact NE2-NE2 3.54Å; H140-H144 PolarHBondContact O-CD2 2.99Å; H140-H144 PolarHBondContact O-N 2.81Å; H140-G161 PolarHBondContact CD2-O 2.95Å; H140-G161 VanDerWaalsContact CD2-O 3.3Å; H140-P163 HydrophobicContact CB-CB 4.22Å; H140-P163 HydrophobicContact CB-CG 4.02Å; H140-C246 PolarHBondContact CE1-SG 3.06Å; H140-H250 AromaticContact CD2-CE1 3.93Å; H140-H250 AromaticContact CE1-CE1 3.72Å; H140-H250 AromaticContact CE1-NE2 3.78Å; H140-H250 AromaticContact CG-CE1 3.8Å; H140-H250 AromaticContact ND1-CE1 3.63Å; H140-H250 AromaticContact ND1-NE2 3.99Å; H140-H250 AromaticContact NE2-CE1 3.9Å
141	S	98.2	Very high	97	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.6	-34.5	174.3	-55.1	0	0	0	0	112.4	V137 Y138 W139 H144 V145 F201 H250 V251	V137-S141 WeakPolarHBondContact O-CB 3.31Å; V137-S141 PolarHBondContact O-N 3.39Å; V137-S141 PolarHBondContact O-OG 3.21Å; Y138-S141 PolarHBondContact O-N 2.83Å; W139-S141 VanDerWaalsContact C-N 3.31Å; W139-S141 PolarHBondContact O-N 2.95Å; S141-H144 PolarHBondContact O-N 2.76Å; S141-V145 PolarHBondContact O-N 2.97Å; S141-F201 WeakPolarHBondContact O-CZ 3.46Å; S141-H250 WeakPolarHBondContact CA-ND1 3.29Å; S141-H250 WeakPolarHBondContact OG-CA 3.37Å; S141-H250 PolarHBondContact OG-ND1 2.88Å; S141-H250 VanDerWaalsContact OG-ND1 3.08Å; S141-V251 PolarHBondContact OG-N 3.14Å
142	T	98.3	Very high	97	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-72.5	-32.3	175.2	-47.5	0	0	0	0	111.7	Y138 W139 H140 H144 V145 L146 F168 M191 I257 S286	Y138-T142 PolarHBondContact O-N 3.31Å; Y138-T142 PolarHBondContact O-OG1 3.06Å; W139-T142 CarbonylContact O-C 3.57Å; W139-T142 WeakPolarHBondContact O-CA 3.27Å; W139-T142 WeakPolarHBondContact O-CB 3.19Å; W139-T142 PolarHBondContact O-N 3.35Å; H140-T142 VanDerWaalsContact C-N 3.27Å; H140-T142 PolarHBondContact O-N 2.83Å; T142-H144 VanDerWaalsContact C-N 3.3Å; T142-H144 PolarHBondContact O-N 3.37Å; T142-V145 WeakPolarHBondContact O-CB 2.96Å; T142-V145 PolarHBondContact O-N 2.93Å; T142-V145 VanDerWaalsContact O-N 3.14Å; T142-L146 PolarHBondContact O-N 3.01Å; T142-F168 VanDerWaalsContact CB-CE1 3.47Å; T142-F168 HydrophobicContact CG2-CD1 4.31Å; T142-F168 HydrophobicContact CG2-CE1 3.34Å; T142-F168 HydrophobicContact CG2-CE2 4.14Å; T142-F168 HydrophobicContact CG2-CZ 3.24Å; T142-M191 HydrophobicContact CG2-CE 4.06Å; T142-I257 HydrophobicContact CG2-CD1 4.12Å; T142-I257 HydrophobicContact CG2-CG2 4.32Å; T142-I257 WeakPolarHBondContact OG1-CD1 3.34Å; T142-S286 WeakPolarHBondContact CB-OG 3.25Å; T142-S286 WeakPolarHBondContact CG2-OG 3.42Å; T142-S286 PolarHBondContact OG1-OG 3.14Å
143	A	98	Very high	97.2	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-56.6	-46.2	171.2	0	0	0	0	0	110.4	W139 H140 V145 L146 G147 G161 F168 Y170	W139-A143 PolarHBondContact O-N 2.92Å; H140-A143 VanDerWaalsContact O-CB 3.25Å; H140-A143 WeakPolarHBondContact O-CB 3.44Å; H140-A143 PolarHBondContact O-N 2.67Å; H140-A143 VanDerWaalsContact O-N 3.16Å; A143-V145 VanDerWaalsContact C-N 3.31Å; A143-V145 PolarHBondContact O-N 3.13Å; A143-L146 CarbonylContact O-C 3.52Å; A143-L146 WeakPolarHBondContact O-CA 3.31Å; A143-L146 WeakPolarHBondContact O-CB 3.49Å; A143-L146 PolarHBondContact O-N 3.33Å; A143-G147 PolarHBondContact O-N 3.18Å; A143-G161 VanDerWaalsContact CB-O 3.29Å; A143-G161 WeakPolarHBondContact CB-O 3.34Å; A143-F168 VanDerWaalsContact CA-CD2 3.43Å; A143-F168 HydrophobicContact CB-CB 3.95Å; A143-F168 HydrophobicContact CB-CD2 3.66Å; A143-F168 HydrophobicContact CB-CE2 4.5Å; A143-F168 HydrophobicContact CB-CG 4.02Å; A143-Y170 VanDerWaalsContact C-CD2 3.47Å; A143-Y170 HydrophobicContact CB-CD2 3.86Å; A143-Y170 HydrophobicContact CB-CE2 4.33Å; A143-Y170 WeakPolarHBondContact O-CD2 3.32Å; A143-Y170 VanDerWaalsContact O-CE2 3.3Å; A143-Y170 WeakPolarHBondContact O-CE2 3.22Å
144	H	98	Very high	97.2	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-57.3	-42	175.2	-79.6	-133.9	0	0	0	112.6	H140 S141 T142 L146 G147 E148 F201 L242 D244 H250	H140-H144 AromaticContact CD2-CD2 3.96Å; H140-H144 AromaticContact CD2-NE2 3.99Å; H140-H144 AromaticContact NE2-CD2 4Å; H140-H144 AromaticContact NE2-NE2 3.54Å; H140-H144 PolarHBondContact O-CD2 2.99Å; H140-H144 PolarHBondContact O-N 2.81Å; S141-H144 PolarHBondContact O-N 2.76Å; T142-H144 VanDerWaalsContact C-N 3.3Å; T142-H144 PolarHBondContact O-N 3.37Å; H144-L146 VanDerWaalsContact C-N 3.28Å; H144-L146 PolarHBondContact O-N 3.21Å; H144-G147 WeakPolarHBondContact O-CA 3.3Å; H144-G147 PolarHBondContact O-N 3.01Å; H144-G147 VanDerWaalsContact O-N 3.08Å; H144-E148 PolarHBondContact O-N 2.82Å; H144-F201 HydrophobicContact CB-CE1 3.77Å; H144-F201 HydrophobicContact CB-CZ 4.22Å; H144-L242 HydrophobicContact CB-CD2 3.87Å; H144-L242 WeakPolarHBondContact O-CD2 3.34Å; H144-D244 IonicContact CE1-OD2 2.67Å; H144-D244 IonicContact NE2-OD2 3.22Å; H144-H250 AromaticContact CD2-CE1 3.43Å; H144-H250 PolarHBondContact CD2-CE1 3.38Å; H144-H250 VanDerWaalsContact CD2-CE1 3.43Å; H144-H250 AromaticContact CD2-NE2 4Å; H144-H250 AromaticContact CE1-CE1 3.48Å; H144-H250 PolarHBondContact CE1-CE1 3.34Å; H144-H250 VanDerWaalsContact CE1-CE1 3.48Å; H144-H250 AromaticContact CE1-NE2 3.27Å; H144-H250 PolarHBondContact CE1-NE2 2.88Å; H144-H250 VanDerWaalsContact CE1-NE2 3.27Å; H144-H250 AromaticContact CG-CE1 3.66Å; H144-H250 AromaticContact ND1-CE1 3.7Å; H144-H250 AromaticContact ND1-NE2 3.77Å; H144-H250 AromaticContact NE2-CE1 3.32Å; H144-H250 PolarHBondContact NE2-CE1 3.42Å; H144-H250 VanDerWaalsContact NE2-CE1 3.32Å; H144-H250 AromaticContact NE2-NE2 3.43Å; H144-H250 PolarHBondContact NE2-NE2 2.88Å
145	V	98.1	Very high	97	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.8	-37	174.6	-178.1	0	0	0	0	112.1	S141 T142 A143 A149 M191 A194 I195 F201 T254 I257	S141-V145 PolarHBondContact O-N 2.97Å; T142-V145 WeakPolarHBondContact O-CB 2.96Å; T142-V145 PolarHBondContact O-N 2.93Å; T142-V145 VanDerWaalsContact O-N 3.14Å; A143-V145 VanDerWaalsContact C-N 3.31Å; A143-V145 PolarHBondContact O-N 3.13Å; V145-A149 PolarHBondContact O-N 3Å; V145-A149 VanDerWaalsContact O-N 3.16Å; V145-M191 HydrophobicContact CB-CE 4.39Å; V145-M191 HydrophobicContact CG1-CB 3.94Å; V145-M191 HydrophobicContact CG1-CE 4.18Å; V145-M191 HydrophobicContact CG1-CG 4.05Å; V145-A194 HydrophobicContact CG1-CB 4.04Å; V145-I195 HydrophobicContact CG1-CD1 4.35Å; V145-I195 HydrophobicContact CG1-CG1 4.08Å; V145-F201 HydrophobicContact CG2-CZ 4.45Å; V145-T254 HydrophobicContact CG2-CG2 3.61Å; V145-I257 HydrophobicContact CG2-CD1 3.74Å
146	L	98.1	Very high	96.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-68.3	-38	172.7	174.8	62	0	0	0	112	T142 A143 H144 A149 A150 F168 L187 M191 V262 I282	T142-L146 PolarHBondContact O-N 3.01Å; A143-L146 CarbonylContact O-C 3.52Å; A143-L146 WeakPolarHBondContact O-CA 3.31Å; A143-L146 WeakPolarHBondContact O-CB 3.49Å; A143-L146 PolarHBondContact O-N 3.33Å; H144-L146 VanDerWaalsContact C-N 3.28Å; H144-L146 PolarHBondContact O-N 3.21Å; L146-A149 PolarHBondContact O-N 2.74Å; L146-A150 WeakPolarHBondContact O-CB 3.43Å; L146-A150 PolarHBondContact O-N 2.89Å; L146-F168 HydrophobicContact CB-CE2 4.01Å; L146-F168 HydrophobicContact CD2-CD2 4.26Å; L146-F168 HydrophobicContact CD2-CE2 3.74Å; L146-L187 HydrophobicContact CD1-CB 4.5Å; L146-L187 HydrophobicContact CD1-CD1 4.39Å; L146-M191 HydrophobicContact CB-CE 3.94Å; L146-M191 HydrophobicContact CB-SD 4.01Å; L146-M191 HydrophobicContact CD1-SD 3.78Å; L146-M191 HydrophobicContact CG-SD 4.49Å; L146-V262 HydrophobicContact CD1-CG2 4.38Å; L146-I282 HydrophobicContact CD1-CG2 4.05Å; L146-I282 HydrophobicContact CD2-CB 4.01Å; L146-I282 HydrophobicContact CD2-CG2 3.88Å
147	G	97.3	Very high	96.5	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.4	-45.5	174.8	0	0	0	0	0	112	A143 H144 A149 A150 E151	A143-G147 PolarHBondContact O-N 3.18Å; H144-G147 WeakPolarHBondContact O-CA 3.3Å; H144-G147 PolarHBondContact O-N 3.01Å; H144-G147 VanDerWaalsContact O-N 3.08Å; G147-A149 VanDerWaalsContact C-N 3.34Å; G147-A149 PolarHBondContact O-N 3.08Å; G147-A150 PolarHBondContact O-N 2.62Å; G147-E151 PolarHBondContact O-N 3.47Å
148	E	97	Very high	96.5	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-56.9	-49.1	172.7	-177.5	-170.9	159.2	0	0	111	H144 A150 E151 R152 A194 Q199 P241 L242	H144-E148 PolarHBondContact O-N 2.82Å; E148-A150 VanDerWaalsContact C-N 3.27Å; E148-A150 PolarHBondContact O-N 2.78Å; E148-E151 PolarHBondContact O-N 3.25Å; E148-R152 HydrophobicContact CG-CG 4.45Å; E148-R152 WeakPolarHBondContact O-CB 3.28Å; E148-R152 VanDerWaalsContact O-CG 3.25Å; E148-R152 WeakPolarHBondContact O-CG 3.44Å; E148-R152 PolarHBondContact O-N 2.76Å; E148-R152 IonicContact OE1-CZ 3.12Å; E148-R152 IonicContact OE1-NH1 3.87Å; E148-R152 PolarHBondContact OE1-NH1 3.32Å; E148-A194 WeakPolarHBondContact OE2-CB 3.49Å; E148-Q199 PolarHBondContact OE1-NE2 3.05Å; E148-Q199 PolarHBondContact OE2-NE2 3.33Å; E148-Q199 PolarHBondContact OE2-OE1 3.18Å; E148-P241 VanDerWaalsContact CD-CD 3.49Å; E148-P241 HydrophobicContact CG-CG 3.81Å; E148-P241 VanDerWaalsContact OE1-CD 3.26Å; E148-P241 WeakPolarHBondContact OE1-CD 3.25Å; E148-P241 WeakPolarHBondContact OE1-CG 3.3Å; E148-L242 HydrophobicContact CB-CB 3.93Å; E148-L242 HydrophobicContact CB-CD2 4.43Å; E148-L242 HydrophobicContact CG-CB 4.36Å
149	A	97.2	Very high	96.3	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.008	4%	0.042	C	C	.	.	H	α-helix	trans	-60.6	-38.8	179.4	0	0	0	0	0	112.1	V145 L146 G147 R152 Y153 L187 I190 M191	V145-A149 PolarHBondContact O-N 3Å; V145-A149 VanDerWaalsContact O-N 3.16Å; L146-A149 PolarHBondContact O-N 2.74Å; G147-A149 VanDerWaalsContact C-N 3.34Å; G147-A149 PolarHBondContact O-N 3.08Å; A149-R152 PolarHBondContact O-N 2.95Å; A149-Y153 WeakPolarHBondContact O-CB 3.26Å; A149-Y153 PolarHBondContact O-N 3.1Å; A149-L187 HydrophobicContact CB-CD2 4.22Å; A149-I190 HydrophobicContact CB-CB 3.87Å; A149-I190 HydrophobicContact CB-CG2 3.85Å; A149-M191 HydrophobicContact CB-CG 3.6Å
150	A	96.3	Very high	96.1	Very high	2 Å²	2	9.4 Å²	9.4	2%	0.017	5%	0.05	C	C	.	.	H	α-helix	trans	-67.3	-43.8	178.5	0	0	0	0	0	112.3	L146 G147 E148 R152 Y153 F154 G155 L158 M172	L146-A150 WeakPolarHBondContact O-CB 3.43Å; L146-A150 PolarHBondContact O-N 2.89Å; G147-A150 PolarHBondContact O-N 2.62Å; E148-A150 VanDerWaalsContact C-N 3.27Å; E148-A150 PolarHBondContact O-N 2.78Å; A150-R152 VanDerWaalsContact C-N 3.34Å; A150-R152 PolarHBondContact O-N 3.26Å; A150-Y153 PolarHBondContact O-N 3.22Å; A150-F154 HydrophobicContact CB-CD2 4.39Å; A150-F154 WeakPolarHBondContact O-CA 3.32Å; A150-F154 VanDerWaalsContact O-CB 3.3Å; A150-F154 WeakPolarHBondContact O-CB 3.25Å; A150-F154 PolarHBondContact O-N 3.22Å; A150-G155 PolarHBondContact O-N 3.49Å; A150-L158 HydrophobicContact CB-CD2 4.17Å; A150-M172 HydrophobicContact CB-CE 4.31Å; A150-M172 HydrophobicContact CB-SD 3.83Å
151	E	96.1	Very high	95.9	Very high	3 Å²	3	8.3 Å²	8.3	1%	0.014	5%	0.048	C	C	.	.	H	α-helix	trans	-64.4	-38.4	175.2	-72.7	-178.9	145	0	0	112.2	Y41 I42 R45 G147 E148 G155 L158 Y217 L242	Y41-E151 HydrophobicContact CE2-CG 4.45Å; I42-E151 HydrophobicContact CD1-CB 4.13Å; R45-E151 IonicContact CZ-OE1 2.65Å; R45-E151 IonicContact CZ-OE2 2.85Å; R45-E151 IonicContact NH1-OE1 3.26Å; R45-E151 PolarHBondContact NH1-OE1 3.46Å; R45-E151 IonicContact NH1-OE2 2.87Å; R45-E151 PolarHBondContact NH1-OE2 3Å; R45-E151 IonicContact NH2-OE1 2.83Å; R45-E151 IonicContact NH2-OE2 3.59Å; R45-E151 PolarHBondContact NH2-OE2 2.89Å; G147-E151 PolarHBondContact O-N 3.47Å; E148-E151 PolarHBondContact O-N 3.25Å; E151-G155 WeakPolarHBondContact O-CA 2.97Å; E151-G155 PolarHBondContact O-N 2.79Å; E151-L158 HydrophobicContact CG-CD1 3.72Å; E151-L158 HydrophobicContact CG-CD2 4.25Å; E151-L158 HydrophobicContact CG-CG 3.69Å; E151-Y217 PolarHBondContact OE1-OH 2.85Å; E151-L242 WeakPolarHBondContact OE2-CD1 3.36Å
152	R	95.4	Very high	95.7	Very high	1 Å²	1	10.2 Å²	10.2	0%	0.004	6%	0.06	C	C	.	.	H	α-helix	trans	-71.5	-30.5	179.3	-68.3	169.9	64.5	171.6	1.7	113.3	S29 E34 L35 W38 E148 A149 A150 I190	S29-R152 PolarHBondContact O-NH2 3.12Å; E34-R152 HydrophobicContact CG-CB 4.21Å; E34-R152 IonicContact OE1-CZ 2.69Å; E34-R152 IonicContact OE1-NE 2.79Å; E34-R152 IonicContact OE1-NH2 3.94Å; E34-R152 PolarHBondContact OE1-NH2 3.15Å; E34-R152 IonicContact OE2-CZ 2.69Å; E34-R152 IonicContact OE2-NE 2.89Å; E34-R152 PolarHBondContact OE2-NE 2.65Å; E34-R152 IonicContact OE2-NH2 2.83Å; E34-R152 PolarHBondContact OE2-NH2 3.24Å; L35-R152 WeakPolarHBondContact CB-O 3.43Å; L35-R152 PolarHBondContact N-O 3.49Å; W38-R152 HydrophobicContact CD2-CG 4.26Å; W38-R152 HydrophobicContact CZ2-CG 4.02Å; E148-R152 HydrophobicContact CG-CG 4.45Å; E148-R152 WeakPolarHBondContact O-CB 3.28Å; E148-R152 VanDerWaalsContact O-CG 3.25Å; E148-R152 WeakPolarHBondContact O-CG 3.44Å; E148-R152 PolarHBondContact O-N 2.76Å; E148-R152 IonicContact OE1-CZ 3.12Å; E148-R152 IonicContact OE1-NH1 3.87Å; E148-R152 PolarHBondContact OE1-NH1 3.32Å; A149-R152 PolarHBondContact O-N 2.95Å; A150-R152 VanDerWaalsContact C-N 3.34Å; A150-R152 PolarHBondContact O-N 3.26Å; R152-I190 HydrophobicContact CB-CD1 4.5Å; R152-I190 HydrophobicContact CB-CG2 4.27Å
153	Y	96.1	Very high	95.6	Very high	34 Å²	34	11.8 Å²	11.8	13%	0.133	7%	0.07	C	C	.	.	H	α-helix	trans	-95	-40	-177	-175.3	-113.6	0	0	0	113.7	C33 A149 A150 R177 D183 A186 L187 I190	C33-Y153 HydrophobicContact CB-CD2 4.42Å; C33-Y153 HydrophobicContact CB-CE2 4.18Å; C33-Y153 WeakPolarHBondContact O-CD2 3.49Å; C33-Y153 WeakPolarHBondContact O-CE2 3.46Å; A149-Y153 WeakPolarHBondContact O-CB 3.26Å; A149-Y153 PolarHBondContact O-N 3.1Å; A150-Y153 PolarHBondContact O-N 3.22Å; Y153-R177 VanDerWaalsContact CE1-NH2 3.28Å; Y153-R177 PolarHBondContact OH-NH2 2.63Å; Y153-R177 VanDerWaalsContact OH-NH2 3.15Å; Y153-D183 HydrophobicContact CE1-CB 3.85Å; Y153-D183 VanDerWaalsContact CE1-OD1 3.24Å; Y153-D183 WeakPolarHBondContact CE1-OD1 3.37Å; Y153-D183 PolarHBondContact OH-OD1 2.67Å; Y153-A186 HydrophobicContact CD2-CB 4.05Å; Y153-A186 HydrophobicContact CE1-CB 4.38Å; Y153-A186 HydrophobicContact CE2-CB 3.58Å; Y153-L187 HydrophobicContact CD1-CD2 4.04Å; Y153-L187 HydrophobicContact CD1-CG 4.43Å; Y153-L187 HydrophobicContact CG-CD2 4.32Å; Y153-I190 HydrophobicContact CD2-CD1 4.24Å; Y153-I190 HydrophobicContact CG-CD1 4.26Å
154	F	95.1	Very high	95.2	Very high	20 Å²	20	14.4 Å²	14.4	9%	0.088	8%	0.084	C	C	.	.	H	α-helix	trans	-109.1	-26.9	-174.7	-67	-68.2	0	0	0	113.6	A150 G156 M172 M174 R177 V179 D183 L187 I282	A150-F154 HydrophobicContact CB-CD2 4.39Å; A150-F154 WeakPolarHBondContact O-CA 3.32Å; A150-F154 VanDerWaalsContact O-CB 3.3Å; A150-F154 WeakPolarHBondContact O-CB 3.25Å; A150-F154 PolarHBondContact O-N 3.22Å; F154-G156 PolarHBondContact O-N 3.05Å; F154-M172 HydrophobicContact CB-CE 3.67Å; F154-M172 HydrophobicContact CB-SD 3.91Å; F154-M172 HydrophobicContact CD2-CE 3.32Å; F154-M172 HydrophobicContact CD2-SD 4.25Å; F154-M172 HydrophobicContact CE2-CE 4Å; F154-M172 HydrophobicContact CG-CE 3.64Å; F154-M172 HydrophobicContact CG-SD 4.46Å; F154-M174 HydrophobicContact CB-SD 3.5Å; F154-M174 WeakPolarHBondContact CB-SD 3.42Å; F154-M174 HydrophobicContact CD1-CE 4.04Å; F154-M174 HydrophobicContact CD1-SD 3.53Å; F154-M174 VanDerWaalsContact CD1-SD 3.53Å; F154-M174 HydrophobicContact CD2-SD 4.47Å; F154-M174 HydrophobicContact CE1-CE 4.27Å; F154-M174 HydrophobicContact CE1-SD 4.33Å; F154-M174 HydrophobicContact CG-CE 4.28Å; F154-M174 HydrophobicContact CG-SD 3.62Å; F154-R177 VanDerWaalsContact CD1-CZ 3.4Å; F154-V179 HydrophobicContact CE1-CG2 4.37Å; F154-V179 HydrophobicContact CE2-CG2 3.9Å; F154-V179 HydrophobicContact CZ-CB 4.34Å; F154-V179 HydrophobicContact CZ-CG1 4.17Å; F154-V179 HydrophobicContact CZ-CG2 3.73Å; F154-D183 HydrophobicContact CE1-CB 4.39Å; F154-D183 HydrophobicContact CZ-CB 3.77Å; F154-L187 HydrophobicContact CD2-CD2 4.22Å; F154-L187 HydrophobicContact CE2-CD1 4.04Å; F154-L187 HydrophobicContact CE2-CD2 3.86Å; F154-L187 HydrophobicContact CE2-CG 4.29Å; F154-I282 HydrophobicContact CE2-CD1 4.19Å
155	G	93.7	Very high	94.4	Very high	18 Å²	18	21.7 Å²	21.7	19%	0.186	12%	0.118	C	C	.	.			trans	69.7	11.4	-175.2	0	0	0	0	0	114.9	Y41 A150 E151	Y41-G155 PolarHBondContact OH-O 2.92Å; A150-G155 PolarHBondContact O-N 3.49Å; E151-G155 WeakPolarHBondContact O-CA 2.97Å; E151-G155 PolarHBondContact O-N 2.79Å
156	G	89.2	Confident	93.8	Very high	7 Å²	7	26.5 Å²	26.5	7%	0.072	14%	0.143	C	C	.	.			trans	-74.1	172.1	-177.3	0	0	0	0	0	114.8	Y41 F154 F173	Y41-G156 PolarHBondContact OH-O 2.72Å; F154-G156 PolarHBondContact O-N 3.05Å; G156-F173 CarbonylContact C-O 3.59Å; G156-F173 VanDerWaalsContact CA-O 3.26Å; G156-F173 WeakPolarHBondContact CA-O 3.38Å
157	C	93.9	Very high	93.6	Very high	23 Å²	23	26.5 Å²	26.5	16%	0.155	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	110.5	178.1	-73.9	0	0	0	0	111.2	C159 M172 F173 F220	C157-C159 PolarHBondContact O-SG 3.06Å; C157-M172 CarbonylContact O-C 3.53Å; C157-M172 WeakPolarHBondContact O-CA 3.34Å; C157-F173 HydrophobicContact CB-CB 4.28Å; C157-F173 PolarHBondContact N-O 3.37Å; C157-F173 PolarHBondContact O-N 3.35Å; C157-F220 HydrophobicContact CB-CD2 4.09Å; C157-F220 HydrophobicContact CB-CE2 4.43Å
158	L	96.2	Very high	93.6	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	138.3	174.8	-68.1	-173.8	0	0	0	112.6	A150 E151 Y170 M172 N218 K221 L242	A150-L158 HydrophobicContact CB-CD2 4.17Å; E151-L158 HydrophobicContact CG-CD1 3.72Å; E151-L158 HydrophobicContact CG-CD2 4.25Å; E151-L158 HydrophobicContact CG-CG 3.69Å; L158-Y170 HydrophobicContact CB-CE1 3.74Å; L158-Y170 HydrophobicContact CD1-CE1 4.06Å; L158-Y170 HydrophobicContact CD2-CD1 3.88Å; L158-Y170 HydrophobicContact CD2-CE1 3.78Å; L158-Y170 HydrophobicContact CG-CE1 4.06Å; L158-M172 HydrophobicContact CD2-CB 4.29Å; L158-M172 HydrophobicContact CD2-CG 4.33Å; L158-N218 PolarHBondContact N-ND2 3.14Å; L158-N218 PolarHBondContact O-ND2 3Å; L158-K221 WeakPolarHBondContact O-CE 3.41Å; L158-L242 HydrophobicContact CD1-CD1 3.47Å; L158-L242 VanDerWaalsContact CD1-CD1 3.47Å
159	C	95.1	Very high	93.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.			trans	-117.1	-106.2	-175.1	-68.5	0	0	0	0	110.9	C157 D171 F220 K221 W270 L279	C157-C159 PolarHBondContact O-SG 3.06Å; C159-D171 HydrophobicContact CB-CB 3.7Å; C159-D171 WeakPolarHBondContact CB-O 3.47Å; C159-D171 PolarHBondContact N-O 3.25Å; C159-F220 VanDerWaalsContact SG-CB 3.58Å; C159-F220 WeakPolarHBondContact SG-CG 3.35Å; C159-K221 WeakPolarHBondContact O-CE 3.28Å; C159-K221 PolarHBondContact O-NZ 3.15Å; C159-W270 HydrophobicContact CB-CZ3 3.91Å; C159-L279 HydrophobicContact CB-CD1 4.38Å
160	Y	93.2	Very high	93.6	Very high	52 Å²	52	28.4 Å²	28.4	20%	0.204	15%	0.151	C	C	.	.			trans	-99.3	131.8	177.3	-65.4	-66.8	0	0	0	111	P162 Y170 D171 I224 K228 W270	Y160-P162 VanDerWaalsContact C-CD 3.47Å; Y160-Y170 CarbonylContact O-C 3.55Å; Y160-Y170 WeakPolarHBondContact O-CA 3.25Å; Y160-D171 PolarHBondContact O-N 3.16Å; Y160-I224 HydrophobicContact CD1-CD1 4.09Å; Y160-I224 HydrophobicContact CE1-CD1 3.54Å; Y160-I224 HydrophobicContact CE1-CG1 3.87Å; Y160-K228 PolarHBondContact OH-NZ 2.8Å; Y160-W270 HydrophobicContact CD2-CZ3 4.08Å; Y160-W270 HydrophobicContact CE2-CE3 4.16Å; Y160-W270 AromaticContact CE2-CH2 3.72Å; Y160-W270 HydrophobicContact CE2-CH2 3.72Å; Y160-W270 HydrophobicContact CE2-CZ2 4.35Å; Y160-W270 AromaticContact CE2-CZ3 3.6Å; Y160-W270 HydrophobicContact CE2-CZ3 3.6Å; Y160-W270 AromaticContact CZ-CH2 3.92Å
161	G	93.7	Very high	93.6	Very high	10 Å²	10	28.4 Å²	28.4	10%	0.103	15%	0.151	C	C	.	.			trans	-127.2	51.4	176.8	0	0	0	0	0	114.6	H140 A143 Y169	H140-G161 PolarHBondContact CD2-O 2.95Å; H140-G161 VanDerWaalsContact CD2-O 3.3Å; A143-G161 VanDerWaalsContact CB-O 3.29Å; A143-G161 WeakPolarHBondContact CB-O 3.34Å; G161-Y169 CarbonylContact C-O 3.27Å; G161-Y169 VanDerWaalsContact CA-O 3.23Å; G161-Y169 WeakPolarHBondContact CA-O 3.47Å
162	P	94.1	Very high	93.5	Very high	40 Å²	40	28.3 Å²	28.3	26%	0.26	15%	0.15	S	C	.	.			trans	-78.7	157.7	-172.8	35.4	-35.9	0	0	0	112.2	Y160 Y169	Y160-P162 VanDerWaalsContact C-CD 3.47Å; P162-Y169 VanDerWaalsContact CD-CE2 3.44Å; P162-Y169 VanDerWaalsContact CD-CZ 3.45Å; P162-Y169 HydrophobicContact CG-CD1 4.23Å; P162-Y169 HydrophobicContact CG-CE1 3.48Å; P162-Y169 VanDerWaalsContact CG-CE1 3.48Å; P162-Y169 HydrophobicContact CG-CE2 3.84Å; P162-Y169 VanDerWaalsContact CG-OH 3.27Å; P162-Y169 WeakPolarHBondContact CG-OH 3.2Å; P162-Y169 PolarHBondContact O-N 3.17Å
163	P	95.6	Very high	93.5	Very high	32 Å²	32	29.4 Å²	29.4	21%	0.208	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	153.7	160.2	35.1	-35	0	0	0	109.8	Q136 W139 H140	Q136-P163 HydrophobicContact CB-CG 4.26Å; Q136-P163 VanDerWaalsContact O-CB 3.3Å; Q136-P163 WeakPolarHBondContact O-CB 3.33Å; Q136-P163 VanDerWaalsContact OE1-CB 3.23Å; W139-P163 HydrophobicContact CB-CB 4.02Å; H140-P163 HydrophobicContact CB-CB 4.22Å; H140-P163 HydrophobicContact CB-CG 4.02Å
164	I	90.1	Very high	93.3	Very high	56 Å²	56	28.8 Å²	28.8	29%	0.287	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	172.2	172.7	57.1	172.5	0	0	0	108.9	W139 N166 G167 Y169 Y283	W139-I164 VanDerWaalsContact CE3-O 3.28Å; W139-I164 WeakPolarHBondContact CZ3-O 3.4Å; I164-N166 PolarHBondContact O-N 3.07Å; I164-N166 VanDerWaalsContact O-N 3.14Å; I164-G167 PolarHBondContact N-O 2.92Å; I164-G167 PolarHBondContact O-N 3.37Å; I164-Y169 HydrophobicContact CD1-CD1 4.48Å; I164-Y169 HydrophobicContact CG2-CD1 3.57Å; I164-Y169 HydrophobicContact CG2-CE1 3.6Å; I164-Y283 HydrophobicContact CD1-CD1 4.07Å; I164-Y283 HydrophobicContact CD1-CE1 4.39Å
165	E	82.2	Confident	92.7	Very high	154 Å²	154	34.1 Å²	34.1	72%	0.72	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	123	169.7	-161.6	-174.7	172.2	0	0	109.8	G167	E165-G167 PolarHBondContact O-N 3.45Å
166	N	84.2	Confident	92.1	Very high	100 Å²	100	41.3 Å²	41.3	54%	0.535	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	35.7	-178.3	-55.8	-55.6	0	0	0	115.3	I164 I285	I164-N166 PolarHBondContact O-N 3.07Å; I164-N166 VanDerWaalsContact O-N 3.14Å; N166-I285 WeakPolarHBondContact O-CD1 3.39Å; N166-I285 WeakPolarHBondContact O-CG1 3.19Å
167	G	94.6	Very high	92	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.4	-144.6	169.3	0	0	0	0	0	113.9	W139 I164 E165 G284	W139-G167 VanDerWaalsContact CB-O 3.29Å; W139-G167 WeakPolarHBondContact CB-O 3.46Å; I164-G167 PolarHBondContact N-O 2.92Å; I164-G167 PolarHBondContact O-N 3.37Å; E165-G167 PolarHBondContact O-N 3.45Å; G167-G284 WeakPolarHBondContact CA-O 3.32Å
168	F	97.4	Very high	91.7	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	165.7	179.5	56.9	-84.2	0	0	0	110.6	W139 T142 A143 L146 M191 Y283 G284	W139-F168 HydrophobicContact CB-CB 4.19Å; W139-F168 HydrophobicContact CB-CD1 4.04Å; W139-F168 WeakPolarHBondContact O-CD1 3.47Å; W139-F168 WeakPolarHBondContact O-CG 3.18Å; T142-F168 VanDerWaalsContact CB-CE1 3.47Å; T142-F168 HydrophobicContact CG2-CD1 4.31Å; T142-F168 HydrophobicContact CG2-CE1 3.34Å; T142-F168 HydrophobicContact CG2-CE2 4.14Å; T142-F168 HydrophobicContact CG2-CZ 3.24Å; A143-F168 VanDerWaalsContact CA-CD2 3.43Å; A143-F168 HydrophobicContact CB-CB 3.95Å; A143-F168 HydrophobicContact CB-CD2 3.66Å; A143-F168 HydrophobicContact CB-CE2 4.5Å; A143-F168 HydrophobicContact CB-CG 4.02Å; L146-F168 HydrophobicContact CB-CE2 4.01Å; L146-F168 HydrophobicContact CD2-CD2 4.26Å; L146-F168 HydrophobicContact CD2-CE2 3.74Å; F168-M191 HydrophobicContact CZ-CE 4.49Å; F168-Y283 WeakPolarHBondContact O-CA 3.44Å; F168-G284 WeakPolarHBondContact CD1-O 3.29Å; F168-G284 WeakPolarHBondContact CE1-O 3.35Å; F168-G284 PolarHBondContact N-O 2.71Å; F168-G284 PolarHBondContact O-N 3.15Å
169	Y	96.8	Very high	91.5	Very high	36 Å²	36	48.8 Å²	48.8	14%	0.141	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	165.6	162.4	69.4	-98.2	0	0	0	110.9	G161 P162 I164 D171 R281 I282 Y283	G161-Y169 CarbonylContact C-O 3.27Å; G161-Y169 VanDerWaalsContact CA-O 3.23Å; G161-Y169 WeakPolarHBondContact CA-O 3.47Å; P162-Y169 VanDerWaalsContact CD-CE2 3.44Å; P162-Y169 VanDerWaalsContact CD-CZ 3.45Å; P162-Y169 HydrophobicContact CG-CD1 4.23Å; P162-Y169 HydrophobicContact CG-CE1 3.48Å; P162-Y169 VanDerWaalsContact CG-CE1 3.48Å; P162-Y169 HydrophobicContact CG-CE2 3.84Å; P162-Y169 VanDerWaalsContact CG-OH 3.27Å; P162-Y169 WeakPolarHBondContact CG-OH 3.2Å; P162-Y169 PolarHBondContact O-N 3.17Å; I164-Y169 HydrophobicContact CD1-CD1 4.48Å; I164-Y169 HydrophobicContact CG2-CD1 3.57Å; I164-Y169 HydrophobicContact CG2-CE1 3.6Å; Y169-D171 WeakPolarHBondContact CE2-OD2 3.08Å; Y169-R281 HydrophobicContact CD2-CG 3.74Å; Y169-R281 VanDerWaalsContact CD2-NE 3.34Å; Y169-R281 VanDerWaalsContact CE2-NE 3.35Å; Y169-R281 VanDerWaalsContact CE2-NH2 3.29Å; Y169-R281 HydrophobicContact CG-CG 3.92Å; Y169-R281 VanDerWaalsContact CZ-CZ 3.45Å; Y169-R281 PolarHBondContact OH-NH2 2.88Å; Y169-I282 CarbonylContact C-O 3.55Å; Y169-I282 WeakPolarHBondContact CA-O 3.33Å; Y169-I282 WeakPolarHBondContact CB-O 3.41Å; Y169-Y283 HydrophobicContact CD1-CE1 4.48Å
170	Y	97.2	Very high	91.4	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.2	166.3	-136.7	-63.1	0	0	0	110.8	A143 L158 Y160 D244 I282	A143-Y170 VanDerWaalsContact C-CD2 3.47Å; A143-Y170 HydrophobicContact CB-CD2 3.86Å; A143-Y170 HydrophobicContact CB-CE2 4.33Å; A143-Y170 WeakPolarHBondContact O-CD2 3.32Å; A143-Y170 VanDerWaalsContact O-CE2 3.3Å; A143-Y170 WeakPolarHBondContact O-CE2 3.22Å; L158-Y170 HydrophobicContact CB-CE1 3.74Å; L158-Y170 HydrophobicContact CD1-CE1 4.06Å; L158-Y170 HydrophobicContact CD2-CD1 3.88Å; L158-Y170 HydrophobicContact CD2-CE1 3.78Å; L158-Y170 HydrophobicContact CG-CE1 4.06Å; Y160-Y170 CarbonylContact O-C 3.55Å; Y160-Y170 WeakPolarHBondContact O-CA 3.25Å; Y170-D244 PolarHBondContact OH-OD1 3.31Å; Y170-D244 PolarHBondContact OH-OD2 3.46Å; Y170-I282 PolarHBondContact N-O 2.92Å; Y170-I282 PolarHBondContact O-N 3.4Å
171	D	95.8	Very high	91.2	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.011	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.7	173.2	-71.2	-22.3	0	0	0	110.8	C159 Y160 Y169 L279 Q280 R281	C159-D171 HydrophobicContact CB-CB 3.7Å; C159-D171 WeakPolarHBondContact CB-O 3.47Å; C159-D171 PolarHBondContact N-O 3.25Å; Y160-D171 PolarHBondContact O-N 3.16Å; Y169-D171 WeakPolarHBondContact CE2-OD2 3.08Å; D171-L279 HydrophobicContact CB-CB 4.49Å; D171-L279 HydrophobicContact CB-CD1 4.11Å; D171-Q280 CarbonylContact C-O 3.56Å; D171-Q280 WeakPolarHBondContact CA-O 3.45Å; D171-R281 WeakPolarHBondContact OD1-CA 3.42Å; D171-R281 WeakPolarHBondContact OD1-CB 3.44Å; D171-R281 WeakPolarHBondContact OD1-CD 3.46Å; D171-R281 WeakPolarHBondContact OD1-CG 3.13Å; D171-R281 IonicContact OD1-CZ 2.68Å; D171-R281 IonicContact OD1-NE 2.96Å; D171-R281 PolarHBondContact OD1-NE 2.92Å; D171-R281 IonicContact OD1-NH2 3.54Å; D171-R281 PolarHBondContact OD1-NH2 3.16Å; D171-R281 IonicContact OD2-CZ 3.9Å; D171-R281 IonicContact OD2-NE 2.63Å; D171-R281 PolarHBondContact OD2-NE 2.83Å; D171-R281 IonicContact OD2-NH2 3.14Å; D171-R281 PolarHBondContact OD2-NH2 3.45Å
172	M	95.1	Very high	91.2	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	138.5	176.1	-179.6	-177.5	57.2	0	0	109.8	A150 F154 C157 L158 M174 V179 Q280	A150-M172 HydrophobicContact CB-CE 4.31Å; A150-M172 HydrophobicContact CB-SD 3.83Å; F154-M172 HydrophobicContact CB-CE 3.67Å; F154-M172 HydrophobicContact CB-SD 3.91Å; F154-M172 HydrophobicContact CD2-CE 3.32Å; F154-M172 HydrophobicContact CD2-SD 4.25Å; F154-M172 HydrophobicContact CE2-CE 4Å; F154-M172 HydrophobicContact CG-CE 3.64Å; F154-M172 HydrophobicContact CG-SD 4.46Å; C157-M172 CarbonylContact O-C 3.53Å; C157-M172 WeakPolarHBondContact O-CA 3.34Å; L158-M172 HydrophobicContact CD2-CB 4.29Å; L158-M172 HydrophobicContact CD2-CG 4.33Å; M172-M174 HydrophobicContact CE-CE 3.55Å; M172-M174 HydrophobicContact CE-CG 3.84Å; M172-M174 HydrophobicContact CE-SD 3.54Å; M172-M174 VanDerWaalsContact CE-SD 3.54Å; M172-M174 HydrophobicContact CG-CG 4.38Å; M172-M174 HydrophobicContact SD-CG 4.29Å; M172-M174 HydrophobicContact SD-SD 4.5Å; M172-V179 HydrophobicContact CE-CG2 4.41Å; M172-Q280 PolarHBondContact N-O 3.04Å; M172-Q280 PolarHBondContact O-N 2.85Å
173	F	95.2	Very high	91.3	Very high	24 Å²	24	57.4 Å²	57.4	11%	0.105	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.9	170.3	176.3	-99.3	0	0	0	110.7	G156 C157 D175 F220 E277 T278 L279	G156-F173 CarbonylContact C-O 3.59Å; G156-F173 VanDerWaalsContact CA-O 3.26Å; G156-F173 WeakPolarHBondContact CA-O 3.38Å; C157-F173 HydrophobicContact CB-CB 4.28Å; C157-F173 PolarHBondContact N-O 3.37Å; C157-F173 PolarHBondContact O-N 3.35Å; F173-D175 WeakPolarHBondContact CE1-OD1 3.39Å; F173-D175 VanDerWaalsContact CZ-OD1 3.27Å; F173-D175 WeakPolarHBondContact CZ-OD1 2.82Å; F173-F220 HydrophobicContact CB-CD2 3.93Å; F173-F220 HydrophobicContact CB-CE2 3.15Å; F173-F220 HydrophobicContact CB-CZ 3.56Å; F173-F220 AromaticContact CD1-CE2 3.53Å; F173-F220 HydrophobicContact CD1-CE2 3.53Å; F173-F220 HydrophobicContact CD1-CZ 4.04Å; F173-F220 AromaticContact CD2-CE2 3.9Å; F173-F220 HydrophobicContact CD2-CE2 3.9Å; F173-F220 AromaticContact CD2-CZ 3.57Å; F173-F220 HydrophobicContact CD2-CZ 3.57Å; F173-F220 HydrophobicContact CE1-CE2 4.37Å; F173-F220 HydrophobicContact CE2-CZ 4.28Å; F173-F220 HydrophobicContact CG-CD2 4.39Å; F173-F220 AromaticContact CG-CE2 3.23Å; F173-F220 HydrophobicContact CG-CE2 3.23Å; F173-F220 AromaticContact CG-CZ 3.44Å; F173-F220 HydrophobicContact CG-CZ 3.44Å; F173-F220 VanDerWaalsContact CG-CZ 3.44Å; F173-E277 HydrophobicContact CD2-CB 4.03Å; F173-E277 HydrophobicContact CE2-CB 3.88Å; F173-E277 HydrophobicContact CE2-CG 4.09Å; F173-T278 WeakPolarHBondContact CD2-O 2.98Å; F173-L279 HydrophobicContact CB-CD2 3.87Å; F173-L279 HydrophobicContact CD2-CD2 4.21Å
174	M	91.5	Very high	91.4	Very high	22 Å²	22	56.8 Å²	56.8	11%	0.108	30%	0.302	C	S	.	.			trans	-139.3	140.1	172	-64.6	-176	-76.4	0	0	107.5	F154 M172 R177 V179 Q280	F154-M174 HydrophobicContact CB-SD 3.5Å; F154-M174 WeakPolarHBondContact CB-SD 3.42Å; F154-M174 HydrophobicContact CD1-CE 4.04Å; F154-M174 HydrophobicContact CD1-SD 3.53Å; F154-M174 VanDerWaalsContact CD1-SD 3.53Å; F154-M174 HydrophobicContact CD2-SD 4.47Å; F154-M174 HydrophobicContact CE1-CE 4.27Å; F154-M174 HydrophobicContact CE1-SD 4.33Å; F154-M174 HydrophobicContact CG-CE 4.28Å; F154-M174 HydrophobicContact CG-SD 3.62Å; M172-M174 HydrophobicContact CE-CE 3.55Å; M172-M174 HydrophobicContact CE-CG 3.84Å; M172-M174 HydrophobicContact CE-SD 3.54Å; M172-M174 VanDerWaalsContact CE-SD 3.54Å; M172-M174 HydrophobicContact CG-CG 4.38Å; M172-M174 HydrophobicContact SD-CG 4.29Å; M172-M174 HydrophobicContact SD-SD 4.5Å; M174-R177 HydrophobicContact CB-CB 4.41Å; M174-R177 HydrophobicContact CE-CB 4.31Å; M174-R177 HydrophobicContact CE-CG 4.38Å; M174-R177 WeakPolarHBondContact CE-O 3.36Å; M174-R177 HydrophobicContact SD-CB 3.97Å; M174-R177 HydrophobicContact SD-CG 4.25Å; M174-V179 HydrophobicContact CE-CG2 3.65Å; M174-Q280 HydrophobicContact CE-CB 4.22Å; M174-Q280 HydrophobicContact CE-CG 3.63Å
175	D	82.1	Confident	91.7	Very high	131 Å²	131	58.1 Å²	58.1	70%	0.701	31%	0.314	S	S	*	.	S	Bend	trans	-69	-56.1	-176.9	-64.9	-64.7	0	0	0	111.9	F173	F173-D175 WeakPolarHBondContact CE1-OD1 3.39Å; F173-D175 VanDerWaalsContact CZ-OD1 3.27Å; F173-D175 WeakPolarHBondContact CZ-OD1 2.82Å
176	D	81	Confident	92.5	Very high	170 Å²	170	51.5 Å²	51.5	91%	0.909	29%	0.286	S	S	*	.	S	Bend	trans	-122.4	24	-170.5	-63.8	-41.9	0	0	0	114.1
177	R	86.3	Confident	93.1	Very high	96 Å²	96	46.7 Å²	46.7	36%	0.362	26%	0.26	S	S	.	.			trans	-135.6	142.2	179	-168.9	168.9	176.2	-166.8	-2.4	111.9	Y153 F154 M174 D183	Y153-R177 VanDerWaalsContact CE1-NH2 3.28Å; Y153-R177 PolarHBondContact OH-NH2 2.63Å; Y153-R177 VanDerWaalsContact OH-NH2 3.15Å; F154-R177 VanDerWaalsContact CD1-CZ 3.4Å; M174-R177 HydrophobicContact CB-CB 4.41Å; M174-R177 HydrophobicContact CE-CB 4.31Å; M174-R177 HydrophobicContact CE-CG 4.38Å; M174-R177 WeakPolarHBondContact CE-O 3.36Å; M174-R177 HydrophobicContact SD-CB 3.97Å; M174-R177 HydrophobicContact SD-CG 4.25Å; R177-D183 IonicContact CZ-OD1 3.47Å; R177-D183 IonicContact NH2-OD1 3.85Å; R177-D183 PolarHBondContact NH2-OD1 2.96Å
178	T	89	Confident	93.3	Very high	88 Å²	88	48.5 Å²	48.5	54%	0.54	27%	0.268	S	S	.	.			trans	-113.4	143.8	174.4	-63.9	0	0	0	0	108.7
179	V	92.2	Very high	93.3	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.024	28%	0.283	C	S	.	.			trans	-76.3	128.3	174.3	179.3	0	0	0	0	108.9	F154 M172 M174 D183 L184 N265 Q280 I282	F154-V179 HydrophobicContact CE1-CG2 4.37Å; F154-V179 HydrophobicContact CE2-CG2 3.9Å; F154-V179 HydrophobicContact CZ-CB 4.34Å; F154-V179 HydrophobicContact CZ-CG1 4.17Å; F154-V179 HydrophobicContact CZ-CG2 3.73Å; M172-V179 HydrophobicContact CE-CG2 4.41Å; M174-V179 HydrophobicContact CE-CG2 3.65Å; V179-D183 HydrophobicContact CG1-CB 4.43Å; V179-L184 HydrophobicContact CG1-CD2 4.18Å; V179-N265 HydrophobicContact CB-CB 4.22Å; V179-N265 HydrophobicContact CG1-CB 3.73Å; V179-N265 PolarHBondContact O-OD1 2.73Å; V179-Q280 HydrophobicContact CB-CB 4.34Å; V179-Q280 HydrophobicContact CG2-CB 3.59Å; V179-Q280 HydrophobicContact CG2-CG 4.02Å; V179-Q280 VanDerWaalsContact N-OE1 3.09Å; V179-I282 HydrophobicContact CG1-CD1 4.07Å; V179-I282 HydrophobicContact CG1-CG1 4.12Å; V179-I282 HydrophobicContact CG2-CD1 3.92Å; V179-I282 HydrophobicContact CG2-CG1 4.16Å
180	T	91.7	Very high	93.3	Very high	62 Å²	62	48.8 Å²	48.8	38%	0.38	28%	0.276	S	S	.	.			trans	-109.7	168.6	177.3	68.8	0	0	0	0	111.2	D182 D183 N265	T180-D182 PolarHBondContact O-N 3.35Å; T180-D182 PolarHBondContact OG1-N 2.74Å; T180-D183 PolarHBondContact N-OD2 3.36Å; T180-D183 PolarHBondContact O-N 3.31Å; T180-D183 PolarHBondContact OG1-OD2 2.98Å; T180-N265 PolarHBondContact O-ND2 3.1Å
181	A	89.8	Confident	93.4	Very high	67 Å²	67	48.6 Å²	48.6	55%	0.554	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-62.9	-29.6	174.6	0	0	0	0	0	112.2	D183 L184 N265	A181-D183 VanDerWaalsContact C-N 3.26Å; A181-D183 PolarHBondContact O-N 3.14Å; A181-L184 WeakPolarHBondContact O-CG 3.25Å; A181-L184 PolarHBondContact O-N 2.92Å; A181-N265 PolarHBondContact N-ND2 3Å
182	D	94.3	Very high	93.4	Very high	144 Å²	144	54 Å²	54	77%	0.77	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-73.3	-18.7	-179.4	-62.6	-24	0	0	0	112.7	T180 P185	T180-D182 PolarHBondContact O-N 3.35Å; T180-D182 PolarHBondContact OG1-N 2.74Å; D182-P185 WeakPolarHBondContact O-CD 3.5Å
183	D	96.1	Very high	93.5	Very high	10 Å²	10	55 Å²	55	5%	0.053	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-77.6	-22.6	175.2	-64.6	-63.4	0	0	0	112.7	Y153 F154 R177 V179 T180 A181 A186 L187	Y153-D183 HydrophobicContact CE1-CB 3.85Å; Y153-D183 VanDerWaalsContact CE1-OD1 3.24Å; Y153-D183 WeakPolarHBondContact CE1-OD1 3.37Å; Y153-D183 PolarHBondContact OH-OD1 2.67Å; F154-D183 HydrophobicContact CE1-CB 4.39Å; F154-D183 HydrophobicContact CZ-CB 3.77Å; R177-D183 IonicContact CZ-OD1 3.47Å; R177-D183 IonicContact NH2-OD1 3.85Å; R177-D183 PolarHBondContact NH2-OD1 2.96Å; V179-D183 HydrophobicContact CG1-CB 4.43Å; T180-D183 PolarHBondContact N-OD2 3.36Å; T180-D183 PolarHBondContact O-N 3.31Å; T180-D183 PolarHBondContact OG1-OD2 2.98Å; A181-D183 VanDerWaalsContact C-N 3.26Å; A181-D183 PolarHBondContact O-N 3.14Å; D183-A186 WeakPolarHBondContact O-CB 3.48Å; D183-A186 PolarHBondContact O-N 3.08Å; D183-A186 VanDerWaalsContact O-N 3.14Å; D183-L187 PolarHBondContact O-N 3.42Å; D183-L187 VanDerWaalsContact O-N 3.15Å
184	L	96.9	Very high	93.5	Very high	20 Å²	20	53.8 Å²	53.8	11%	0.105	30%	0.3	C	S	.	.	H	α-helix	trans	-62.6	-42.4	-171.9	-51	-171.6	0	0	0	113.3	V179 A181 A186 L187 E188 V262 N265 I282	V179-L184 HydrophobicContact CG1-CD2 4.18Å; A181-L184 WeakPolarHBondContact O-CG 3.25Å; A181-L184 PolarHBondContact O-N 2.92Å; L184-A186 VanDerWaalsContact C-N 3.28Å; L184-A186 PolarHBondContact O-N 3.38Å; L184-L187 HydrophobicContact CD2-CD1 4.24Å; L184-L187 PolarHBondContact O-N 3.49Å; L184-E188 WeakPolarHBondContact O-CG 3.22Å; L184-E188 PolarHBondContact O-N 3.08Å; L184-V262 HydrophobicContact CB-CB 4.49Å; L184-V262 HydrophobicContact CB-CG1 4.17Å; L184-V262 HydrophobicContact CD1-CG1 4.14Å; L184-V262 HydrophobicContact CD2-CG1 3.81Å; L184-V262 HydrophobicContact CG-CG1 4.24Å; L184-N265 HydrophobicContact CD2-CB 4.49Å; L184-I282 HydrophobicContact CD2-CG2 4.3Å
185	P	97.4	Very high	93.7	Very high	83 Å²	83	53.8 Å²	53.8	54%	0.539	30%	0.3	S	S	.	.	H	α-helix	trans	-59.8	-34.9	174.7	-25.2	35.9	0	0	0	113.8	D182 E188 S189	D182-P185 WeakPolarHBondContact O-CD 3.5Å; P185-E188 PolarHBondContact O-N 3.09Å; P185-S189 PolarHBondContact O-N 2.81Å
186	A	97.3	Very high	94.4	Very high	15 Å²	15	55.7 Å²	55.7	12%	0.124	30%	0.302	C	S	.	.	H	α-helix	trans	-67.8	-44.2	177.5	0	0	0	0	0	111.1	C33 Y153 D183 L184 S189 I190	C33-A186 HydrophobicContact CB-CB 4.17Å; Y153-A186 HydrophobicContact CD2-CB 4.05Å; Y153-A186 HydrophobicContact CE1-CB 4.38Å; Y153-A186 HydrophobicContact CE2-CB 3.58Å; D183-A186 WeakPolarHBondContact O-CB 3.48Å; D183-A186 PolarHBondContact O-N 3.08Å; D183-A186 VanDerWaalsContact O-N 3.14Å; L184-A186 VanDerWaalsContact C-N 3.28Å; L184-A186 PolarHBondContact O-N 3.38Å; A186-S189 WeakPolarHBondContact O-CB 3.41Å; A186-S189 PolarHBondContact O-N 2.9Å; A186-I190 PolarHBondContact O-N 3.28Å; A186-I190 VanDerWaalsContact O-N 3.16Å
187	L	97.7	Very high	95.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.4	-47.1	173.5	-65.8	169.7	0	0	0	111.4	L146 A149 Y153 F154 D183 L184 S189 I190 M191 I282	L146-L187 HydrophobicContact CD1-CB 4.5Å; L146-L187 HydrophobicContact CD1-CD1 4.39Å; A149-L187 HydrophobicContact CB-CD2 4.22Å; Y153-L187 HydrophobicContact CD1-CD2 4.04Å; Y153-L187 HydrophobicContact CD1-CG 4.43Å; Y153-L187 HydrophobicContact CG-CD2 4.32Å; F154-L187 HydrophobicContact CD2-CD2 4.22Å; F154-L187 HydrophobicContact CE2-CD1 4.04Å; F154-L187 HydrophobicContact CE2-CD2 3.86Å; F154-L187 HydrophobicContact CE2-CG 4.29Å; D183-L187 PolarHBondContact O-N 3.42Å; D183-L187 VanDerWaalsContact O-N 3.15Å; L184-L187 HydrophobicContact CD2-CD1 4.24Å; L184-L187 PolarHBondContact O-N 3.49Å; L187-S189 PolarHBondContact O-N 3Å; L187-I190 PolarHBondContact O-N 2.67Å; L187-I190 VanDerWaalsContact O-N 3.16Å; L187-M191 VanDerWaalsContact O-CG 3.28Å; L187-M191 WeakPolarHBondContact O-CG 3.42Å; L187-M191 PolarHBondContact O-N 2.94Å; L187-I282 HydrophobicContact CD1-CD1 3.65Å; L187-I282 HydrophobicContact CD1-CG2 4.26Å
188	E	98	Very high	95.5	Very high	38 Å²	38	51.2 Å²	51.2	18%	0.178	28%	0.279	C	S	.	.	H	α-helix	trans	-59.8	-35.2	176.8	-73.1	-167.4	168.4	0	0	112.7	L184 P185 K192 F260 K261 V262	L184-E188 WeakPolarHBondContact O-CG 3.22Å; L184-E188 PolarHBondContact O-N 3.08Å; P185-E188 PolarHBondContact O-N 3.09Å; E188-K192 WeakPolarHBondContact O-CB 3.32Å; E188-K192 VanDerWaalsContact O-CG 3.28Å; E188-K192 WeakPolarHBondContact O-CG 3.24Å; E188-K192 PolarHBondContact O-N 2.86Å; E188-F260 HydrophobicContact CB-CE2 4.16Å; E188-F260 HydrophobicContact CB-CZ 4.49Å; E188-F260 HydrophobicContact CG-CE2 3.98Å; E188-K261 WeakPolarHBondContact OE1-CA 3.28Å; E188-V262 HydrophobicContact CG-CB 3.98Å; E188-V262 HydrophobicContact CG-CG2 3.62Å; E188-V262 PolarHBondContact OE1-N 2.84Å
189	S	97.8	Very high	95.9	Very high	44 Å²	44	47.2 Å²	47.2	31%	0.308	25%	0.254	S	S	.	.	H	α-helix	trans	-63.8	-43.8	176.1	-170.7	0	0	0	0	111.9	P185 A186 L187 K192 C193	P185-S189 PolarHBondContact O-N 2.81Å; A186-S189 WeakPolarHBondContact O-CB 3.41Å; A186-S189 PolarHBondContact O-N 2.9Å; L187-S189 PolarHBondContact O-N 3Å; S189-K192 PolarHBondContact O-N 3.16Å; S189-C193 PolarHBondContact O-N 3.04Å; S189-C193 PolarHBondContact O-SG 3.27Å
190	I	97.6	Very high	96.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-69.4	-43.3	177.6	-60	161.1	0	0	0	110.7	V31 E34 A149 R152 Y153 A186 L187 K192 C193 A194	V31-I190 HydrophobicContact CG2-CB 4.28Å; V31-I190 HydrophobicContact CG2-CD1 4.44Å; V31-I190 HydrophobicContact CG2-CG1 3.33Å; E34-I190 HydrophobicContact CG-CD1 3.58Å; E34-I190 HydrophobicContact CG-CG1 3.69Å; A149-I190 HydrophobicContact CB-CB 3.87Å; A149-I190 HydrophobicContact CB-CG2 3.85Å; R152-I190 HydrophobicContact CB-CD1 4.5Å; R152-I190 HydrophobicContact CB-CG2 4.27Å; Y153-I190 HydrophobicContact CD2-CD1 4.24Å; Y153-I190 HydrophobicContact CG-CD1 4.26Å; A186-I190 PolarHBondContact O-N 3.28Å; A186-I190 VanDerWaalsContact O-N 3.16Å; L187-I190 PolarHBondContact O-N 2.67Å; L187-I190 VanDerWaalsContact O-N 3.16Å; I190-K192 VanDerWaalsContact C-N 3.31Å; I190-K192 PolarHBondContact O-N 3.43Å; I190-C193 WeakPolarHBondContact O-CA 3.48Å; I190-C193 WeakPolarHBondContact O-CB 3.47Å; I190-C193 PolarHBondContact O-N 3.39Å; I190-A194 PolarHBondContact O-N 3.48Å
191	M	97.9	Very high	96.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58	-42.2	175.1	-69.1	178.9	72.2	0	0	111.7	T142 V145 L146 A149 F168 L187 C193 A194 I195 F260 V262	T142-M191 HydrophobicContact CG2-CE 4.06Å; V145-M191 HydrophobicContact CB-CE 4.39Å; V145-M191 HydrophobicContact CG1-CB 3.94Å; V145-M191 HydrophobicContact CG1-CE 4.18Å; V145-M191 HydrophobicContact CG1-CG 4.05Å; L146-M191 HydrophobicContact CB-CE 3.94Å; L146-M191 HydrophobicContact CB-SD 4.01Å; L146-M191 HydrophobicContact CD1-SD 3.78Å; L146-M191 HydrophobicContact CG-SD 4.49Å; A149-M191 HydrophobicContact CB-CG 3.6Å; F168-M191 HydrophobicContact CZ-CE 4.49Å; L187-M191 VanDerWaalsContact O-CG 3.28Å; L187-M191 WeakPolarHBondContact O-CG 3.42Å; L187-M191 PolarHBondContact O-N 2.94Å; M191-C193 VanDerWaalsContact C-N 3.25Å; M191-C193 PolarHBondContact O-N 3.4Å; M191-A194 PolarHBondContact O-N 3.43Å; M191-I195 WeakPolarHBondContact O-CB 3.44Å; M191-I195 WeakPolarHBondContact O-CD1 3.44Å; M191-I195 VanDerWaalsContact O-CG1 3.25Å; M191-I195 WeakPolarHBondContact O-CG1 3.48Å; M191-I195 PolarHBondContact O-N 3.43Å; M191-F260 HydrophobicContact CB-CE1 4.49Å; M191-F260 HydrophobicContact CB-CE2 3.66Å; M191-F260 HydrophobicContact CB-CZ 3.53Å; M191-F260 HydrophobicContact CE-CD2 3.73Å; M191-F260 HydrophobicContact CE-CE2 3.76Å; M191-F260 HydrophobicContact CE-CG 4.5Å; M191-F260 HydrophobicContact CG-CE2 4.31Å; M191-F260 HydrophobicContact SD-CD2 4.17Å; M191-F260 HydrophobicContact SD-CE2 3.7Å; M191-V262 HydrophobicContact SD-CG2 3.78Å
192	K	97.2	Very high	96.8	Very high	115 Å²	115	47.8 Å²	47.8	50%	0.5	24%	0.243	S	C	.	.	H	α-helix	trans	-58	-38.7	174.3	-81.5	164.3	-168.2	163.4	0	111.7	E188 S189 I190 K196 F260	E188-K192 WeakPolarHBondContact O-CB 3.32Å; E188-K192 VanDerWaalsContact O-CG 3.28Å; E188-K192 WeakPolarHBondContact O-CG 3.24Å; E188-K192 PolarHBondContact O-N 2.86Å; S189-K192 PolarHBondContact O-N 3.16Å; I190-K192 VanDerWaalsContact C-N 3.31Å; I190-K192 PolarHBondContact O-N 3.43Å; K192-K196 VanDerWaalsContact O-CB 3.28Å; K192-K196 WeakPolarHBondContact O-CB 3.44Å; K192-K196 PolarHBondContact O-N 3.06Å; K192-F260 HydrophobicContact CG-CE1 3.79Å; K192-F260 HydrophobicContact CG-CZ 3.74Å
193	C	95.7	Very high	96.9	Very high	21 Å²	21	43 Å²	43	14%	0.142	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-50.8	177.1	-66.3	0	0	0	0	111.4	S29 V31 S189 I190 M191 I195 K196 D197	S29-C193 WeakPolarHBondContact OG-CB 3.4Å; V31-C193 WeakPolarHBondContact CG1-SG 3.01Å; S189-C193 PolarHBondContact O-N 3.04Å; S189-C193 PolarHBondContact O-SG 3.27Å; I190-C193 WeakPolarHBondContact O-CA 3.48Å; I190-C193 WeakPolarHBondContact O-CB 3.47Å; I190-C193 PolarHBondContact O-N 3.39Å; M191-C193 VanDerWaalsContact C-N 3.25Å; M191-C193 PolarHBondContact O-N 3.4Å; C193-I195 VanDerWaalsContact C-N 3.27Å; C193-I195 PolarHBondContact O-N 3.43Å; C193-K196 WeakPolarHBondContact O-CB 3.17Å; C193-K196 PolarHBondContact O-N 3.32Å; C193-D197 PolarHBondContact O-N 3.42Å
194	A	95.9	Very high	97	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.2	-38.5	176.2	0	0	0	0	0	112.9	V145 E148 I190 M191 T254	V145-A194 HydrophobicContact CG1-CB 4.04Å; E148-A194 WeakPolarHBondContact OE2-CB 3.49Å; I190-A194 PolarHBondContact O-N 3.48Å; M191-A194 PolarHBondContact O-N 3.43Å; A194-T254 PolarHBondContact O-OG1 3.3Å
195	I	96.7	Very high	96.9	Very high	21 Å²	21	46 Å²	46	11%	0.108	23%	0.227	C	C	.	.	H	α-helix	trans	-67.3	-43.9	174.9	-71	165.6	0	0	0	111.6	V145 M191 C193 D197 K198 G255 I257 F260	V145-I195 HydrophobicContact CG1-CD1 4.35Å; V145-I195 HydrophobicContact CG1-CG1 4.08Å; M191-I195 WeakPolarHBondContact O-CB 3.44Å; M191-I195 WeakPolarHBondContact O-CD1 3.44Å; M191-I195 VanDerWaalsContact O-CG1 3.25Å; M191-I195 WeakPolarHBondContact O-CG1 3.48Å; M191-I195 PolarHBondContact O-N 3.43Å; C193-I195 VanDerWaalsContact C-N 3.27Å; C193-I195 PolarHBondContact O-N 3.43Å; I195-D197 VanDerWaalsContact C-N 3.29Å; I195-D197 PolarHBondContact O-N 2.93Å; I195-K198 PolarHBondContact O-N 3.45Å; I195-K198 VanDerWaalsContact O-N 3.12Å; I195-G255 WeakPolarHBondContact O-CA 3.32Å; I195-I257 HydrophobicContact CD1-CB 3.99Å; I195-I257 HydrophobicContact CD1-CG2 3.73Å; I195-I257 HydrophobicContact CG1-CB 4.2Å; I195-I257 HydrophobicContact CG1-CG2 4.48Å; I195-I257 WeakPolarHBondContact CG2-O 3.47Å; I195-F260 HydrophobicContact CD1-CD1 3.57Å; I195-F260 HydrophobicContact CD1-CE1 3.42Å; I195-F260 VanDerWaalsContact CD1-CE1 3.42Å; I195-F260 HydrophobicContact CD1-CG 4.43Å; I195-F260 HydrophobicContact CD1-CZ 4.17Å
196	K	95.8	Very high	96.8	Very high	171 Å²	171	42.1 Å²	42.1	74%	0.743	20%	0.202	S	C	*	.	H	α-helix	trans	-63.8	-36.1	178.5	-175.9	-177.3	176.6	-173.3	0	111.9	K192 C193 K198	K192-K196 VanDerWaalsContact O-CB 3.28Å; K192-K196 WeakPolarHBondContact O-CB 3.44Å; K192-K196 PolarHBondContact O-N 3.06Å; C193-K196 WeakPolarHBondContact O-CB 3.17Å; C193-K196 PolarHBondContact O-N 3.32Å; K196-K198 PolarHBondContact O-N 3.19Å
197	D	95.4	Very high	96.8	Very high	42 Å²	42	46.4 Å²	46.4	23%	0.225	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.6	177.1	-67.3	-14.2	0	0	0	112.6	L27 V28 S29 C193 I195 Q199	L27-D197 WeakPolarHBondContact O-CB 3.18Å; L27-D197 VanDerWaalsContact O-OD2 3.12Å; V28-D197 WeakPolarHBondContact CA-OD2 3.15Å; S29-D197 WeakPolarHBondContact CB-OD1 3.24Å; S29-D197 PolarHBondContact N-OD2 3.25Å; S29-D197 VanDerWaalsContact OG-CG 3.26Å; S29-D197 PolarHBondContact OG-OD1 3.47Å; S29-D197 PolarHBondContact OG-OD2 3.02Å; C193-D197 PolarHBondContact O-N 3.42Å; I195-D197 VanDerWaalsContact C-N 3.29Å; I195-D197 PolarHBondContact O-N 2.93Å; D197-Q199 HydrophobicContact CB-CG 3.85Å; D197-Q199 PolarHBondContact O-N 3.22Å
198	K	95.8	Very high	96.6	Very high	130 Å²	130	48.8 Å²	48.8	57%	0.565	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	44.2	-178.4	-56.7	-178.2	-178.7	176	0	112.1	I195 K196 N200 T254	I195-K198 PolarHBondContact O-N 3.45Å; I195-K198 VanDerWaalsContact O-N 3.12Å; K196-K198 PolarHBondContact O-N 3.19Å; K198-N200 PolarHBondContact O-N 2.9Å; K198-T254 WeakPolarHBondContact CA-OG1 3.34Å
199	Q	96.8	Very high	96.5	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.019	24%	0.244	C	C	.	.			trans	-59.1	128.7	-179.5	-56.9	171.7	-3.6	0	0	110.1	E148 D197 G240 H253 T254	E148-Q199 PolarHBondContact OE1-NE2 3.05Å; E148-Q199 PolarHBondContact OE2-NE2 3.33Å; E148-Q199 PolarHBondContact OE2-OE1 3.18Å; D197-Q199 HydrophobicContact CB-CG 3.85Å; D197-Q199 PolarHBondContact O-N 3.22Å; Q199-G240 VanDerWaalsContact CD-CA 3.45Å; Q199-G240 VanDerWaalsContact OE1-CA 3.26Å; Q199-H253 CarbonylContact O-C 3.57Å; Q199-H253 WeakPolarHBondContact O-CA 3.46Å; Q199-H253 WeakPolarHBondContact O-CB 3.32Å; Q199-T254 HydrophobicContact CB-CG2 3.96Å; Q199-T254 PolarHBondContact N-OG1 3.19Å; Q199-T254 PolarHBondContact O-N 2.9Å
200	N	97.2	Very high	96.4	Very high	82 Å²	82	51.3 Å²	51.3	44%	0.439	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-72.5	144.5	178.7	-65.2	-32	0	0	0	110.6	K198 E202 R238 R252	K198-N200 PolarHBondContact O-N 2.9Å; N200-E202 HydrophobicContact CB-CG 4.49Å; N200-R238 VanDerWaalsContact O-O 3.12Å; N200-R252 WeakPolarHBondContact CA-O 3.49Å
201	F	97.9	Very high	96.4	Very high	19 Å²	19	51.3 Å²	51.3	8%	0.083	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	115	164.3	-75	-93	0	0	0	108.8	S141 H144 V145 R238 C239 H250 V251 R252 T254	S141-F201 WeakPolarHBondContact O-CZ 3.46Å; H144-F201 HydrophobicContact CB-CE1 3.77Å; H144-F201 HydrophobicContact CB-CZ 4.22Å; V145-F201 HydrophobicContact CG2-CZ 4.45Å; F201-R238 CarbonylContact C-O 3.54Å; F201-R238 VanDerWaalsContact CA-O 3.3Å; F201-R238 WeakPolarHBondContact CA-O 3.48Å; F201-C239 HydrophobicContact CD1-CB 3.81Å; F201-C239 HydrophobicContact CD2-CB 4.44Å; F201-C239 HydrophobicContact CE1-CB 3.65Å; F201-C239 HydrophobicContact CE2-CB 4.32Å; F201-C239 HydrophobicContact CG-CB 4.21Å; F201-C239 HydrophobicContact CZ-CB 3.92Å; F201-H250 HydrophobicContact CB-CB 3.82Å; F201-H250 HydrophobicContact CD1-CB 3.51Å; F201-H250 AromaticContact CD1-CG 3.57Å; F201-H250 AromaticContact CD1-ND1 3.92Å; F201-H250 HydrophobicContact CD2-CB 4.32Å; F201-H250 HydrophobicContact CE1-CB 4.13Å; F201-H250 AromaticContact CE1-CG 3.9Å; F201-H250 AromaticContact CE1-ND1 3.74Å; F201-H250 HydrophobicContact CG-CB 3.62Å; F201-V251 WeakPolarHBondContact CB-O 3.5Å; F201-V251 HydrophobicContact CD2-CG2 4.07Å; F201-V251 WeakPolarHBondContact CD2-O 3.48Å; F201-V251 HydrophobicContact CE2-CG2 3.83Å; F201-V251 WeakPolarHBondContact CG-O 3.26Å; F201-R252 PolarHBondContact N-O 3.15Å; F201-T254 HydrophobicContact CE2-CG2 3.87Å; F201-T254 HydrophobicContact CZ-CG2 4.25Å
202	E	97	Very high	96.3	Very high	44 Å²	44	53.7 Å²	53.7	21%	0.206	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.5	179.9	-58.7	-175.5	121.8	0	0	109.4	W49 M53 N200 Y237 R238	W49-E202 VanDerWaalsContact CH2-O 3.28Å; W49-E202 WeakPolarHBondContact CH2-O 3.45Å; W49-E202 HydrophobicContact CZ2-CB 3.77Å; W49-E202 VanDerWaalsContact CZ2-O 3.31Å; W49-E202 WeakPolarHBondContact CZ2-O 3.25Å; W49-E202 PolarHBondContact NE1-OE2 3.35Å; M53-E202 HydrophobicContact CE-CB 4.26Å; N200-E202 HydrophobicContact CB-CG 4.49Å; E202-Y237 CarbonylContact O-C 3.52Å; E202-Y237 VanDerWaalsContact O-CA 3.28Å; E202-Y237 WeakPolarHBondContact O-CA 3.13Å; E202-R238 HydrophobicContact CB-CB 4.39Å; E202-R238 PolarHBondContact N-O 3.07Å; E202-R238 PolarHBondContact O-N 3.41Å; E202-R238 WeakPolarHBondContact OE2-CD 3.36Å; E202-R238 IonicContact OE2-CZ 2.8Å; E202-R238 IonicContact OE2-NE 3.76Å; E202-R238 IonicContact OE2-NH1 3.01Å; E202-R238 PolarHBondContact OE2-NH1 2.86Å
203	R	97.1	Very high	96.3	Very high	44 Å²	44	52.3 Å²	52.3	17%	0.166	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	138	179.5	-176.9	-176.3	-178.1	-83.9	1.9	111.2	T235 Y237	R203-T235 VanDerWaalsContact NH2-CG2 3.27Å; R203-Y237 HydrophobicContact CB-CD1 4.1Å; R203-Y237 HydrophobicContact CB-CE1 3.55Å; R203-Y237 VanDerWaalsContact CD-OH 3.25Å; R203-Y237 WeakPolarHBondContact CD-OH 3.46Å; R203-Y237 HydrophobicContact CG-CE1 3.92Å; R203-Y237 HydrophobicContact CG-CE2 4.04Å
204	L	97.1	Very high	96.3	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.4	162.8	-81.1	-175.9	0	0	0	111.9	W49 M53 Y56 L206 T235 A236	W49-L204 HydrophobicContact CD2-CD1 4.06Å; W49-L204 HydrophobicContact CE3-CD1 4.03Å; W49-L204 HydrophobicContact CH2-CB 3.8Å; W49-L204 HydrophobicContact CH2-CD1 4Å; W49-L204 HydrophobicContact CH2-CG 3.82Å; W49-L204 HydrophobicContact CZ2-CB 4.38Å; W49-L204 HydrophobicContact CZ2-CD1 4Å; W49-L204 HydrophobicContact CZ2-CG 3.9Å; W49-L204 HydrophobicContact CZ3-CB 4.08Å; W49-L204 HydrophobicContact CZ3-CD1 4.02Å; W49-L204 HydrophobicContact CZ3-CG 4.26Å; M53-L204 HydrophobicContact CB-CD1 4.36Å; M53-L204 HydrophobicContact CG-CD1 3.68Å; M53-L204 HydrophobicContact CG-CD2 4.31Å; M53-L204 HydrophobicContact CG-CG 4.05Å; M53-L204 HydrophobicContact SD-CD1 3.77Å; M53-L204 HydrophobicContact SD-CD2 3.34Å; M53-L204 WeakPolarHBondContact SD-CD2 3.18Å; M53-L204 HydrophobicContact SD-CG 3.44Å; M53-L204 WeakPolarHBondContact SD-CG 3.42Å; Y56-L204 HydrophobicContact CD1-CD2 3.65Å; Y56-L204 HydrophobicContact CD2-CD2 4.13Å; Y56-L204 HydrophobicContact CE1-CD2 4.49Å; Y56-L204 HydrophobicContact CG-CD2 3.43Å; Y56-L204 VanDerWaalsContact CG-CD2 3.43Å; L204-L206 HydrophobicContact CB-CD1 4.45Å; L204-L206 HydrophobicContact CB-CD2 4.32Å; L204-L206 HydrophobicContact CB-CG 4.07Å; L204-L206 HydrophobicContact CD1-CD2 4.17Å; L204-T235 CarbonylContact O-C 3.6Å; L204-T235 WeakPolarHBondContact O-CA 3.29Å; L204-A236 PolarHBondContact N-O 2.97Å; L204-A236 PolarHBondContact O-N 3.33Å
205	E	95.4	Very high	96.4	Very high	91 Å²	91	51.6 Å²	51.6	43%	0.425	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.6	162.1	-173.9	178.1	101.1	0	0	108.4	K233 T235	E205-K233 HydrophobicContact CG-CB 3.84Å; E205-K233 HydrophobicContact CG-CD 4.1Å; E205-K233 VanDerWaalsContact OE1-CD 3.25Å; E205-K233 WeakPolarHBondContact OE1-CD 2.99Å; E205-T235 HydrophobicContact CB-CG2 4.38Å
206	L	96.4	Very high	96.4	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.2	-173.7	-65.7	176	0	0	0	109.8	Y52 L204 E210 L211 M214 K233 T234 A236	Y52-L206 HydrophobicContact CD2-CD1 4.24Å; Y52-L206 HydrophobicContact CD2-CD2 3.86Å; Y52-L206 HydrophobicContact CG-CD2 3.78Å; L204-L206 HydrophobicContact CB-CD1 4.45Å; L204-L206 HydrophobicContact CB-CD2 4.32Å; L204-L206 HydrophobicContact CB-CG 4.07Å; L204-L206 HydrophobicContact CD1-CD2 4.17Å; L206-E210 HydrophobicContact CB-CB 4.49Å; L206-L211 HydrophobicContact CB-CD1 4.08Å; L206-L211 HydrophobicContact CB-CD2 4.07Å; L206-L211 HydrophobicContact CB-CG 3.8Å; L206-L211 HydrophobicContact CD1-CD2 3.73Å; L206-L211 HydrophobicContact CD1-CG 4.29Å; L206-L211 HydrophobicContact CG-CD2 4.49Å; L206-M214 HydrophobicContact CD1-CE 4.04Å; L206-K233 VanDerWaalsContact O-CA 3.25Å; L206-K233 WeakPolarHBondContact O-CA 3.44Å; L206-T234 PolarHBondContact N-O 2.63Å; L206-T234 PolarHBondContact O-N 2.93Å; L206-T234 VanDerWaalsContact O-O 3.11Å; L206-A236 HydrophobicContact CD1-CB 4.25Å
207	R	96	Very high	96.3	Very high	105 Å²	105	50.1 Å²	50.1	40%	0.396	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	150.2	171.4	-67.5	175	-69.2	-165.1	6.1	110.1	E209 E210 L211 E232 K233	R207-E209 PolarHBondContact O-N 2.92Å; R207-E210 HydrophobicContact CB-CG 4.17Å; R207-E210 IonicContact CZ-OE1 3.49Å; R207-E210 PolarHBondContact N-OE2 3.48Å; R207-E210 VanDerWaalsContact N-OE2 3.13Å; R207-E210 IonicContact NE-OE1 2.67Å; R207-E210 PolarHBondContact NE-OE1 3.05Å; R207-E210 IonicContact NE-OE2 2.89Å; R207-E210 PolarHBondContact NE-OE2 3.48Å; R207-E210 IonicContact NH2-OE1 2.62Å; R207-E210 PolarHBondContact NH2-OE1 3.23Å; R207-E210 WeakPolarHBondContact O-CB 3.08Å; R207-E210 PolarHBondContact O-N 3.11Å; R207-L211 PolarHBondContact O-N 2.92Å; R207-E232 WeakPolarHBondContact CA-O 3.5Å; R207-K233 HydrophobicContact CG-CG 4.15Å
208	K	94.5	Very high	96.4	Very high	50 Å²	50	48.1 Å²	48.1	22%	0.217	22%	0.215	C	C	.	.	H	α-helix	trans	-51.9	-43.5	178.9	-171.7	169.9	179.6	164.8	0	111.3	E210 L211 M212 L225 V229 E232	K208-E210 VanDerWaalsContact C-N 3.31Å; K208-E210 PolarHBondContact O-N 3.13Å; K208-L211 PolarHBondContact O-N 3.05Å; K208-M212 HydrophobicContact CG-CG 4.48Å; K208-M212 VanDerWaalsContact O-CG 3.26Å; K208-M212 WeakPolarHBondContact O-CG 3.22Å; K208-M212 PolarHBondContact O-N 2.89Å; K208-L225 WeakPolarHBondContact CE-O 3.4Å; K208-L225 PolarHBondContact NZ-O 3.47Å; K208-V229 PolarHBondContact NZ-O 2.89Å; K208-E232 PolarHBondContact N-O 2.78Å
209	E	95	Very high	96.3	Very high	123 Å²	123	45.6 Å²	45.6	58%	0.575	20%	0.204	S	C	*	.	H	α-helix	trans	-63.8	-34	-179.7	-58.6	70.4	-148.4	0	0	112.9	R207 M212 E213	R207-E209 PolarHBondContact O-N 2.92Å; E209-M212 PolarHBondContact O-N 3.43Å; E209-E213 PolarHBondContact O-N 3.47Å; E209-E213 VanDerWaalsContact O-N 3.08Å
210	E	96.7	Very high	96.3	Very high	13 Å²	13	45.4 Å²	45.4	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-71.8	-35.8	178.4	-63.3	178	141.6	0	0	111.6	Y52 R55 L206 R207 K208 M214	Y52-E210 HydrophobicContact CE1-CB 4.3Å; Y52-E210 HydrophobicContact CE1-CG 4.01Å; Y52-E210 WeakPolarHBondContact CE1-OE1 3.48Å; Y52-E210 HydrophobicContact CE2-CB 4.03Å; R55-E210 IonicContact CZ-OE1 2.97Å; R55-E210 VanDerWaalsContact CZ-OE1 3.24Å; R55-E210 IonicContact CZ-OE2 3.94Å; R55-E210 IonicContact NH1-OE1 3.39Å; R55-E210 PolarHBondContact NH1-OE1 3.17Å; R55-E210 IonicContact NH1-OE2 2.75Å; R55-E210 IonicContact NH2-OE1 3.68Å; R55-E210 PolarHBondContact NH2-OE1 3.44Å; R55-E210 IonicContact NH2-OE2 3.51Å; R55-E210 PolarHBondContact NH2-OE2 3.43Å; L206-E210 HydrophobicContact CB-CB 4.49Å; R207-E210 HydrophobicContact CB-CG 4.17Å; R207-E210 IonicContact CZ-OE1 3.49Å; R207-E210 PolarHBondContact N-OE2 3.48Å; R207-E210 VanDerWaalsContact N-OE2 3.13Å; R207-E210 IonicContact NE-OE1 2.67Å; R207-E210 PolarHBondContact NE-OE1 3.05Å; R207-E210 IonicContact NE-OE2 2.89Å; R207-E210 PolarHBondContact NE-OE2 3.48Å; R207-E210 IonicContact NH2-OE1 2.62Å; R207-E210 PolarHBondContact NH2-OE1 3.23Å; R207-E210 WeakPolarHBondContact O-CB 3.08Å; R207-E210 PolarHBondContact O-N 3.11Å; K208-E210 VanDerWaalsContact C-N 3.31Å; K208-E210 PolarHBondContact O-N 3.13Å; E210-M214 VanDerWaalsContact O-CB 3.3Å; E210-M214 WeakPolarHBondContact O-CB 3.46Å; E210-M214 PolarHBondContact O-N 3.3Å
211	L	96.6	Very high	96.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-71.6	-38.1	174	-68.1	162.6	0	0	0	111.3	L206 R207 K208 E213 M214 F215 L225 T234 A236 L245	L206-L211 HydrophobicContact CB-CD1 4.08Å; L206-L211 HydrophobicContact CB-CD2 4.07Å; L206-L211 HydrophobicContact CB-CG 3.8Å; L206-L211 HydrophobicContact CD1-CD2 3.73Å; L206-L211 HydrophobicContact CD1-CG 4.29Å; L206-L211 HydrophobicContact CG-CD2 4.49Å; R207-L211 PolarHBondContact O-N 2.92Å; K208-L211 PolarHBondContact O-N 3.05Å; L211-E213 VanDerWaalsContact C-N 3.34Å; L211-E213 PolarHBondContact O-N 3.06Å; L211-M214 PolarHBondContact O-N 3.11Å; L211-F215 HydrophobicContact CB-CD2 4.49Å; L211-F215 HydrophobicContact CD2-CD2 4.38Å; L211-F215 HydrophobicContact CD2-CE2 3.92Å; L211-F215 WeakPolarHBondContact O-CB 3.3Å; L211-F215 WeakPolarHBondContact O-CD2 3.41Å; L211-F215 PolarHBondContact O-N 2.86Å; L211-L225 HydrophobicContact CB-CD1 3.78Å; L211-L225 HydrophobicContact CB-CD2 3.86Å; L211-L225 HydrophobicContact CD1-CD2 3.97Å; L211-T234 HydrophobicContact CD1-CG2 3.21Å; L211-A236 HydrophobicContact CD2-CB 3.9Å; L211-L245 HydrophobicContact CD1-CD1 4.02Å; L211-L245 HydrophobicContact CD2-CD1 4.31Å
212	M	95.8	Very high	96.1	Very high	49 Å²	49	42.6 Å²	42.6	24%	0.241	19%	0.189	C	C	.	.	H	α-helix	trans	-59.8	-44.8	174.2	-67.6	-62.8	-76.4	0	0	111.2	K208 E209 K216 L222 L225 E226	K208-M212 HydrophobicContact CG-CG 4.48Å; K208-M212 VanDerWaalsContact O-CG 3.26Å; K208-M212 WeakPolarHBondContact O-CG 3.22Å; K208-M212 PolarHBondContact O-N 2.89Å; E209-M212 PolarHBondContact O-N 3.43Å; M212-K216 PolarHBondContact O-N 3.03Å; M212-K216 VanDerWaalsContact O-N 3.09Å; M212-L222 HydrophobicContact CB-CD2 4.46Å; M212-L222 HydrophobicContact CE-CB 4.39Å; M212-L222 HydrophobicContact CE-CD2 3.86Å; M212-L222 WeakPolarHBondContact O-CD2 3.39Å; M212-L222 HydrophobicContact SD-CD2 3.77Å; M212-L225 HydrophobicContact CG-CD1 4.3Å; M212-L225 HydrophobicContact SD-CB 3.61Å; M212-L225 HydrophobicContact SD-CD1 3.62Å; M212-L225 HydrophobicContact SD-CG 4.24Å; M212-E226 HydrophobicContact CE-CG 3.89Å; M212-E226 VanDerWaalsContact CE-OE1 3.31Å; M212-E226 WeakPolarHBondContact CE-OE1 3.19Å; M212-E226 HydrophobicContact SD-CG 4.46Å
213	E	97	Very high	96	Very high	86 Å²	86	43.4 Å²	43.4	40%	0.402	19%	0.19	S	C	.	.	H	α-helix	trans	-65.2	-44.2	174.6	177.4	57.2	-156.7	0	0	111.8	L48 E209 L211 F215 K216	L48-E213 HydrophobicContact CD1-CG 4.17Å; E209-E213 PolarHBondContact O-N 3.47Å; E209-E213 VanDerWaalsContact O-N 3.08Å; L211-E213 VanDerWaalsContact C-N 3.34Å; L211-E213 PolarHBondContact O-N 3.06Å; E213-F215 VanDerWaalsContact C-N 3.32Å; E213-F215 PolarHBondContact O-N 3.47Å; E213-K216 WeakPolarHBondContact O-CG 3.33Å; E213-K216 PolarHBondContact O-N 2.96Å; E213-K216 IonicContact OE1-NZ 3.82Å; E213-K216 PolarHBondContact OE1-NZ 3.2Å
214	M	96.7	Very high	95.9	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-36.6	-179.1	-176.8	178.2	-72	0	0	113.2	R45 L48 W49 Y52 L206 E210 L211 I243	R45-M214 HydrophobicContact CB-CG 3.89Å; L48-M214 HydrophobicContact CB-CE 3.97Å; L48-M214 HydrophobicContact CD1-CB 4.12Å; L48-M214 HydrophobicContact CD1-CG 4.47Å; W49-M214 HydrophobicContact CE3-CE 4.36Å; Y52-M214 HydrophobicContact CD2-CE 3.73Å; Y52-M214 HydrophobicContact CE2-CE 3.83Å; L206-M214 HydrophobicContact CD1-CE 4.04Å; E210-M214 VanDerWaalsContact O-CB 3.3Å; E210-M214 WeakPolarHBondContact O-CB 3.46Å; E210-M214 PolarHBondContact O-N 3.3Å; L211-M214 PolarHBondContact O-N 3.11Å; M214-I243 HydrophobicContact SD-CD1 4.45Å; M214-I243 HydrophobicContact SD-CG2 3.68Å
215	F	97	Very high	95.7	Very high	1 Å²	1	42 Å²	42	0%	0.004	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	17.6	-177.3	-67.4	-71.3	0	0	0	113.5	L211 E213 Y217 N218 K221 L222 I243 L245	L211-F215 HydrophobicContact CB-CD2 4.49Å; L211-F215 HydrophobicContact CD2-CD2 4.38Å; L211-F215 HydrophobicContact CD2-CE2 3.92Å; L211-F215 WeakPolarHBondContact O-CB 3.3Å; L211-F215 WeakPolarHBondContact O-CD2 3.41Å; L211-F215 PolarHBondContact O-N 2.86Å; E213-F215 VanDerWaalsContact C-N 3.32Å; E213-F215 PolarHBondContact O-N 3.47Å; F215-Y217 HydrophobicContact CD1-CE1 4.17Å; F215-Y217 PolarHBondContact O-N 2.87Å; F215-N218 PolarHBondContact O-N 3.19Å; F215-K221 HydrophobicContact CB-CB 3.82Å; F215-K221 HydrophobicContact CD1-CB 4.11Å; F215-K221 HydrophobicContact CD1-CG 4.03Å; F215-K221 HydrophobicContact CE1-CG 4.49Å; F215-K221 HydrophobicContact CG-CB 3.95Å; F215-K221 HydrophobicContact CG-CG 4.37Å; F215-L222 HydrophobicContact CB-CD2 4.47Å; F215-I243 WeakPolarHBondContact CE1-O 3.47Å; F215-I243 HydrophobicContact CZ-CG2 4.25Å; F215-L245 HydrophobicContact CE2-CB 4.06Å; F215-L245 HydrophobicContact CZ-CB 4.31Å
216	K	96.4	Very high	95.7	Very high	106 Å²	106	43.2 Å²	43.2	46%	0.461	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.2	-178.5	70	-173.8	175.9	-169.7	0	114.7	M212 E213 N218	M212-K216 PolarHBondContact O-N 3.03Å; M212-K216 VanDerWaalsContact O-N 3.09Å; E213-K216 WeakPolarHBondContact O-CG 3.33Å; E213-K216 PolarHBondContact O-N 2.96Å; E213-K216 IonicContact OE1-NZ 3.82Å; E213-K216 PolarHBondContact OE1-NZ 3.2Å; K216-N218 VanDerWaalsContact C-N 3.34Å
217	Y	94.9	Very high	95.4	Very high	55 Å²	55	48.2 Å²	48.2	22%	0.216	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-21.9	176.7	73.2	-85.9	0	0	0	113.4	Y41 R45 E151 F215	Y41-Y217 VanDerWaalsContact CB-CG 3.47Å; Y41-Y217 AromaticContact CD1-CD2 3.53Å; Y41-Y217 HydrophobicContact CD1-CD2 3.53Å; Y41-Y217 AromaticContact CD1-CE2 3.79Å; Y41-Y217 HydrophobicContact CD1-CE2 3.79Å; Y41-Y217 HydrophobicContact CD1-CG 4.16Å; Y41-Y217 HydrophobicContact CD2-CD1 4.49Å; Y41-Y217 AromaticContact CD2-CD2 3.82Å; Y41-Y217 HydrophobicContact CD2-CD2 3.82Å; Y41-Y217 HydrophobicContact CD2-CE1 4.05Å; Y41-Y217 AromaticContact CD2-CE2 3.27Å; Y41-Y217 HydrophobicContact CD2-CE2 3.27Å; Y41-Y217 HydrophobicContact CD2-CG 4.39Å; Y41-Y217 AromaticContact CD2-CZ 3.39Å; Y41-Y217 HydrophobicContact CE1-CD2 4.03Å; Y41-Y217 HydrophobicContact CE1-CE2 4.01Å; Y41-Y217 HydrophobicContact CE2-CD2 4.34Å; Y41-Y217 AromaticContact CE2-CE2 3.58Å; Y41-Y217 HydrophobicContact CE2-CE2 3.58Å; Y41-Y217 AromaticContact CE2-CZ 3.93Å; Y41-Y217 HydrophobicContact CG-CD1 4.17Å; Y41-Y217 AromaticContact CG-CD2 3.42Å; Y41-Y217 HydrophobicContact CG-CD2 3.42Å; Y41-Y217 VanDerWaalsContact CG-CD2 3.42Å; Y41-Y217 HydrophobicContact CG-CE1 4.19Å; Y41-Y217 AromaticContact CG-CE2 3.42Å; Y41-Y217 HydrophobicContact CG-CE2 3.42Å; Y41-Y217 VanDerWaalsContact CG-CE2 3.42Å; Y41-Y217 AromaticContact CG-CG 3.8Å; Y41-Y217 HydrophobicContact CG-CG 3.8Å; Y41-Y217 AromaticContact CG-CZ 3.82Å; Y41-Y217 AromaticContact CZ-CE2 3.94Å; R45-Y217 PolarHBondContact NH1-OH 2.69Å; R45-Y217 VanDerWaalsContact NH1-OH 3.1Å; E151-Y217 PolarHBondContact OE1-OH 2.85Å; F215-Y217 HydrophobicContact CD1-CE1 4.17Å; F215-Y217 PolarHBondContact O-N 2.87Å
218	N	96.5	Very high	95	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.216	C	C	.	.			trans	-113.7	92.6	-170.6	-173.2	-26.2	0	0	0	110.6	L158 F215 K216 F220 K221 L222	L158-N218 PolarHBondContact N-ND2 3.14Å; L158-N218 PolarHBondContact O-ND2 3Å; F215-N218 PolarHBondContact O-N 3.19Å; K216-N218 VanDerWaalsContact C-N 3.34Å; N218-F220 PolarHBondContact O-N 2.98Å; N218-F220 WeakPolarHBondContact OD1-CB 3.22Å; N218-F220 PolarHBondContact OD1-N 3.29Å; N218-F220 VanDerWaalsContact OD1-N 3.1Å; N218-K221 HydrophobicContact CB-CB 4.23Å; N218-K221 HydrophobicContact CB-CG 4.21Å; N218-K221 WeakPolarHBondContact ND2-CG 3.14Å; N218-K221 PolarHBondContact O-N 3.16Å; N218-K221 PolarHBondContact OD1-N 3.42Å; N218-L222 PolarHBondContact O-N 3.34Å; N218-L222 VanDerWaalsContact O-N 3.13Å
219	K	95.2	Very high	94.7	Very high	77 Å²	77	46 Å²	46	34%	0.335	21%	0.209	S	C	.	.	H	α-helix	trans	-51.8	-29.2	179.5	63.7	178	176.6	171.2	0	114.1	R223 E277	K219-R223 WeakPolarHBondContact O-CG 3.47Å; K219-R223 PolarHBondContact O-N 2.82Å; K219-R223 VanDerWaalsContact O-N 3.08Å; K219-E277 WeakPolarHBondContact CE-OE1 3.45Å; K219-E277 IonicContact NZ-OE1 3.67Å; K219-E277 PolarHBondContact NZ-OE1 3.41Å
220	F	95.6	Very high	94.5	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-75.9	-40.3	-179.1	-60.7	-78.1	0	0	0	112.3	C157 C159 F173 N218 L222 R223 I224 W270 E277 L279	C157-F220 HydrophobicContact CB-CD2 4.09Å; C157-F220 HydrophobicContact CB-CE2 4.43Å; C159-F220 VanDerWaalsContact SG-CB 3.58Å; C159-F220 WeakPolarHBondContact SG-CG 3.35Å; F173-F220 HydrophobicContact CB-CD2 3.93Å; F173-F220 HydrophobicContact CB-CE2 3.15Å; F173-F220 HydrophobicContact CB-CZ 3.56Å; F173-F220 AromaticContact CD1-CE2 3.53Å; F173-F220 HydrophobicContact CD1-CE2 3.53Å; F173-F220 HydrophobicContact CD1-CZ 4.04Å; F173-F220 AromaticContact CD2-CE2 3.9Å; F173-F220 HydrophobicContact CD2-CE2 3.9Å; F173-F220 AromaticContact CD2-CZ 3.57Å; F173-F220 HydrophobicContact CD2-CZ 3.57Å; F173-F220 HydrophobicContact CE1-CE2 4.37Å; F173-F220 HydrophobicContact CE2-CZ 4.28Å; F173-F220 HydrophobicContact CG-CD2 4.39Å; F173-F220 AromaticContact CG-CE2 3.23Å; F173-F220 HydrophobicContact CG-CE2 3.23Å; F173-F220 AromaticContact CG-CZ 3.44Å; F173-F220 HydrophobicContact CG-CZ 3.44Å; F173-F220 VanDerWaalsContact CG-CZ 3.44Å; N218-F220 PolarHBondContact O-N 2.98Å; N218-F220 WeakPolarHBondContact OD1-CB 3.22Å; N218-F220 PolarHBondContact OD1-N 3.29Å; N218-F220 VanDerWaalsContact OD1-N 3.1Å; F220-L222 VanDerWaalsContact C-N 3.33Å; F220-R223 PolarHBondContact O-N 3.02Å; F220-I224 WeakPolarHBondContact O-CG1 3.2Å; F220-I224 PolarHBondContact O-N 3.48Å; F220-W270 HydrophobicContact CB-CE3 4.34Å; F220-W270 HydrophobicContact CB-CH2 3.66Å; F220-W270 HydrophobicContact CB-CZ2 4.43Å; F220-W270 HydrophobicContact CB-CZ3 3.62Å; F220-W270 AromaticContact CD1-CD2 3.55Å; F220-W270 HydrophobicContact CD1-CD2 3.55Å; F220-W270 AromaticContact CD1-CE3 3.21Å; F220-W270 HydrophobicContact CD1-CE3 3.21Å; F220-W270 HydrophobicContact CD1-CG 4.24Å; F220-W270 AromaticContact CD1-CH2 3.89Å; F220-W270 HydrophobicContact CD1-CH2 3.89Å; F220-W270 HydrophobicContact CD1-CZ2 4.2Å; F220-W270 AromaticContact CD1-CZ3 3.41Å; F220-W270 HydrophobicContact CD1-CZ3 3.41Å; F220-W270 VanDerWaalsContact CD1-CZ3 3.41Å; F220-W270 HydrophobicContact CE1-CB 4.37Å; F220-W270 AromaticContact CE1-CD2 3.96Å; F220-W270 HydrophobicContact CE1-CD2 3.96Å; F220-W270 AromaticContact CE1-CE3 3.79Å; F220-W270 HydrophobicContact CE1-CE3 3.79Å; F220-W270 HydrophobicContact CE1-CG 4.2Å; F220-W270 HydrophobicContact CE1-CZ3 4.39Å; F220-W270 HydrophobicContact CG-CE3 4.11Å; F220-W270 HydrophobicContact CG-CH2 4.26Å; F220-W270 AromaticContact CG-CZ3 3.88Å; F220-W270 HydrophobicContact CG-CZ3 3.88Å; F220-E277 HydrophobicContact CE1-CB 4Å; F220-E277 HydrophobicContact CE1-CG 4.35Å; F220-E277 HydrophobicContact CZ-CB 3.85Å; F220-E277 HydrophobicContact CZ-CG 4.08Å; F220-L279 HydrophobicContact CD1-CD2 4.46Å; F220-L279 HydrophobicContact CE1-CD2 3.82Å; F220-L279 HydrophobicContact CZ-CD2 3.87Å
221	K	95.9	Very high	94.1	Very high	7 Å²	7	49.2 Å²	49.2	3%	0.03	24%	0.24	C	C	.	.	H	α-helix	trans	-66.9	-37.1	173.8	-67.4	-61.8	-169.8	179.8	0	111.5	L158 C159 F215 N218 I224 L225 D244 L245	L158-K221 WeakPolarHBondContact O-CE 3.41Å; C159-K221 WeakPolarHBondContact O-CE 3.28Å; C159-K221 PolarHBondContact O-NZ 3.15Å; F215-K221 HydrophobicContact CB-CB 3.82Å; F215-K221 HydrophobicContact CD1-CB 4.11Å; F215-K221 HydrophobicContact CD1-CG 4.03Å; F215-K221 HydrophobicContact CE1-CG 4.49Å; F215-K221 HydrophobicContact CG-CB 3.95Å; F215-K221 HydrophobicContact CG-CG 4.37Å; N218-K221 HydrophobicContact CB-CB 4.23Å; N218-K221 HydrophobicContact CB-CG 4.21Å; N218-K221 WeakPolarHBondContact ND2-CG 3.14Å; N218-K221 PolarHBondContact O-N 3.16Å; N218-K221 PolarHBondContact OD1-N 3.42Å; K221-I224 HydrophobicContact CD-CD1 4.22Å; K221-I224 PolarHBondContact O-N 2.96Å; K221-L225 WeakPolarHBondContact O-CG 3.49Å; K221-L225 PolarHBondContact O-N 3.28Å; K221-D244 WeakPolarHBondContact CE-OD1 3.37Å; K221-D244 IonicContact NZ-OD1 2.94Å; K221-D244 PolarHBondContact NZ-OD1 3.27Å; K221-D244 IonicContact NZ-OD2 3.81Å; K221-D244 PolarHBondContact NZ-OD2 2.84Å; K221-L245 HydrophobicContact CD-CB 4.23Å
222	L	96.4	Very high	93.9	Very high	36 Å²	36	55.8 Å²	55.8	19%	0.188	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-49	172.2	-61.5	-179.1	0	0	0	111.7	M212 F215 N218 F220 I224 L225 E226	M212-L222 HydrophobicContact CB-CD2 4.46Å; M212-L222 HydrophobicContact CE-CB 4.39Å; M212-L222 HydrophobicContact CE-CD2 3.86Å; M212-L222 WeakPolarHBondContact O-CD2 3.39Å; M212-L222 HydrophobicContact SD-CD2 3.77Å; F215-L222 HydrophobicContact CB-CD2 4.47Å; N218-L222 PolarHBondContact O-N 3.34Å; N218-L222 VanDerWaalsContact O-N 3.13Å; F220-L222 VanDerWaalsContact C-N 3.33Å; L222-I224 VanDerWaalsContact C-N 3.33Å; L222-I224 PolarHBondContact O-N 2.99Å; L222-L225 WeakPolarHBondContact O-CB 3.34Å; L222-L225 PolarHBondContact O-N 3.46Å; L222-L225 VanDerWaalsContact O-N 3.13Å; L222-E226 WeakPolarHBondContact O-CG 3.39Å; L222-E226 PolarHBondContact O-N 3.46Å
223	R	95	Very high	93.7	Very high	60 Å²	60	58 Å²	58	23%	0.226	28%	0.28	C	S	.	.	H	α-helix	trans	-56.8	-44.7	174.8	-72.6	178.1	-166.3	167.8	6.1	112.2	K219 F220 L225 E226 E227 W270 E277	K219-R223 WeakPolarHBondContact O-CG 3.47Å; K219-R223 PolarHBondContact O-N 2.82Å; K219-R223 VanDerWaalsContact O-N 3.08Å; F220-R223 PolarHBondContact O-N 3.02Å; R223-L225 VanDerWaalsContact C-N 3.33Å; R223-L225 PolarHBondContact O-N 3.21Å; R223-E226 PolarHBondContact O-N 3Å; R223-E227 VanDerWaalsContact O-CB 3.29Å; R223-E227 WeakPolarHBondContact O-CB 3.45Å; R223-E227 WeakPolarHBondContact O-CG 3.27Å; R223-E227 PolarHBondContact O-N 2.85Å; R223-W270 HydrophobicContact CB-CZ2 4.07Å; R223-E277 IonicContact CZ-OE1 3.8Å; R223-E277 IonicContact CZ-OE2 2.9Å; R223-E277 IonicContact NH1-OE1 2.85Å; R223-E277 PolarHBondContact NH1-OE1 3.3Å; R223-E277 IonicContact NH1-OE2 3.72Å; R223-E277 PolarHBondContact NH1-OE2 2.95Å; R223-E277 IonicContact NH2-OE1 2.72Å; R223-E277 PolarHBondContact NH2-OE1 3.46Å; R223-E277 IonicContact NH2-OE2 3.22Å
224	I	93.4	Very high	93.5	Very high	17 Å²	17	54.8 Å²	54.8	9%	0.087	27%	0.266	C	S	.	.	H	α-helix	trans	-59.7	-43.9	176.8	-68.9	162.3	0	0	0	111.4	Y160 F220 K221 L222 K228 V229 L245 W270	Y160-I224 HydrophobicContact CD1-CD1 4.09Å; Y160-I224 HydrophobicContact CE1-CD1 3.54Å; Y160-I224 HydrophobicContact CE1-CG1 3.87Å; F220-I224 WeakPolarHBondContact O-CG1 3.2Å; F220-I224 PolarHBondContact O-N 3.48Å; K221-I224 HydrophobicContact CD-CD1 4.22Å; K221-I224 PolarHBondContact O-N 2.96Å; L222-I224 VanDerWaalsContact C-N 3.33Å; L222-I224 PolarHBondContact O-N 2.99Å; I224-K228 HydrophobicContact CG2-CB 4.5Å; I224-K228 WeakPolarHBondContact O-CA 3.36Å; I224-K228 WeakPolarHBondContact O-CB 3.48Å; I224-K228 PolarHBondContact O-N 3.22Å; I224-V229 PolarHBondContact O-N 2.87Å; I224-L245 HydrophobicContact CB-CD2 4.34Å; I224-L245 HydrophobicContact CG2-CD2 3.75Å; I224-W270 HydrophobicContact CD1-CH2 3.79Å; I224-W270 HydrophobicContact CG1-CH2 3.78Å; I224-W270 HydrophobicContact CG1-CZ2 4.21Å
225	L	94.1	Very high	93.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-46.1	177	-73.2	164.5	0	0	0	111.2	K208 L211 M212 K221 L222 R223 V229 T234 L245	K208-L225 WeakPolarHBondContact CE-O 3.4Å; K208-L225 PolarHBondContact NZ-O 3.47Å; L211-L225 HydrophobicContact CB-CD1 3.78Å; L211-L225 HydrophobicContact CB-CD2 3.86Å; L211-L225 HydrophobicContact CD1-CD2 3.97Å; M212-L225 HydrophobicContact CG-CD1 4.3Å; M212-L225 HydrophobicContact SD-CB 3.61Å; M212-L225 HydrophobicContact SD-CD1 3.62Å; M212-L225 HydrophobicContact SD-CG 4.24Å; K221-L225 WeakPolarHBondContact O-CG 3.49Å; K221-L225 PolarHBondContact O-N 3.28Å; L222-L225 WeakPolarHBondContact O-CB 3.34Å; L222-L225 PolarHBondContact O-N 3.46Å; L222-L225 VanDerWaalsContact O-N 3.13Å; R223-L225 VanDerWaalsContact C-N 3.33Å; R223-L225 PolarHBondContact O-N 3.21Å; L225-V229 HydrophobicContact CD2-CG2 4.2Å; L225-V229 WeakPolarHBondContact O-CB 3.24Å; L225-V229 PolarHBondContact O-N 2.84Å; L225-T234 HydrophobicContact CD2-CG2 4.26Å; L225-L245 HydrophobicContact CD1-CD2 4.49Å; L225-L245 HydrophobicContact CD2-CD1 3.77Å; L225-L245 HydrophobicContact CD2-CD2 3.61Å; L225-L245 HydrophobicContact CD2-CG 4.35Å; L225-L245 HydrophobicContact CG-CD2 3.67Å
226	E	94.2	Very high	93.5	Very high	116 Å²	116	55 Å²	55	54%	0.542	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-48.7	-178.9	-73	172.8	174.2	0	0	112	M212 L222 R223	M212-E226 HydrophobicContact CE-CG 3.89Å; M212-E226 VanDerWaalsContact CE-OE1 3.31Å; M212-E226 WeakPolarHBondContact CE-OE1 3.19Å; M212-E226 HydrophobicContact SD-CG 4.46Å; L222-E226 WeakPolarHBondContact O-CG 3.39Å; L222-E226 PolarHBondContact O-N 3.46Å; R223-E226 PolarHBondContact O-N 3Å
227	E	91.6	Very high	93.5	Very high	107 Å²	107	50.1 Å²	50.1	50%	0.5	25%	0.246	S	C	.	.	H	α-helix	trans	-89	-34.4	-168.5	-63.2	170.3	175.4	0	0	113.6	R223	R223-E227 VanDerWaalsContact O-CB 3.29Å; R223-E227 WeakPolarHBondContact O-CB 3.45Å; R223-E227 WeakPolarHBondContact O-CG 3.27Å; R223-E227 PolarHBondContact O-N 2.85Å
228	K	86.9	Confident	93.6	Very high	97 Å²	97	49.9 Å²	49.9	42%	0.422	25%	0.245	S	C	.	.	H	α-helix	trans	-112.8	-14.9	-169.4	-59.9	-172.6	176.3	-179.4	0	114.6	Y160 I224 E271	Y160-K228 PolarHBondContact OH-NZ 2.8Å; I224-K228 HydrophobicContact CG2-CB 4.5Å; I224-K228 WeakPolarHBondContact O-CA 3.36Å; I224-K228 WeakPolarHBondContact O-CB 3.48Å; I224-K228 PolarHBondContact O-N 3.22Å; K228-E271 IonicContact NZ-OE1 2.79Å
229	V	88.6	Confident	93.6	Very high	12 Å²	12	49.9 Å²	49.9	7%	0.073	25%	0.245	C	C	.	.			trans	-102.7	101.1	178.2	-177.1	0	0	0	0	109.5	K208 I224 L225 T234	K208-V229 PolarHBondContact NZ-O 2.89Å; I224-V229 PolarHBondContact O-N 2.87Å; L225-V229 HydrophobicContact CD2-CG2 4.2Å; L225-V229 WeakPolarHBondContact O-CB 3.24Å; L225-V229 PolarHBondContact O-N 2.84Å; V229-T234 HydrophobicContact CG1-CG2 3.87Å; V229-T234 HydrophobicContact CG2-CG2 4.23Å
230	T	89.4	Confident	93.6	Very high	143 Å²	143	46.2 Å²	46.2	88%	0.877	23%	0.229	S	C	*	.			trans	-91	-18.7	179	53.3	0	0	0	0	113.3
231	S	89.1	Confident	93.6	Very high	60 Å²	60	46.4 Å²	46.4	42%	0.42	23%	0.23	S	C	.	.	S	Bend	trans	-80.7	152.9	176.6	53.7	0	0	0	0	112.2	K233	S231-K233 WeakPolarHBondContact CB-O 3.3Å; S231-K233 PolarHBondContact O-N 3.41Å; S231-K233 PolarHBondContact OG-O 2.88Å
232	E	91.6	Very high	93.6	Very high	137 Å²	137	46.1 Å²	46.1	64%	0.64	23%	0.229	S	C	*	.	S	Bend	trans	-61.7	-31.8	175.2	-171	-169.1	157.4	0	0	112	R207 K208	R207-E232 WeakPolarHBondContact CA-O 3.5Å; K208-E232 PolarHBondContact N-O 2.78Å
233	K	92.1	Very high	93.7	Very high	97 Å²	97	44.4 Å²	44.4	42%	0.422	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.9	179.7	-63.1	-178.1	-176.7	178.1	0	111.4	E205 L206 R207 S231	E205-K233 HydrophobicContact CG-CB 3.84Å; E205-K233 HydrophobicContact CG-CD 4.1Å; E205-K233 VanDerWaalsContact OE1-CD 3.25Å; E205-K233 WeakPolarHBondContact OE1-CD 2.99Å; L206-K233 VanDerWaalsContact O-CA 3.25Å; L206-K233 WeakPolarHBondContact O-CA 3.44Å; R207-K233 HydrophobicContact CG-CG 4.15Å; S231-K233 WeakPolarHBondContact CB-O 3.3Å; S231-K233 PolarHBondContact O-N 3.41Å; S231-K233 PolarHBondContact OG-O 2.88Å
234	T	93.8	Very high	93.7	Very high	18 Å²	18	41.8 Å²	41.8	11%	0.11	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	178.5	168.3	-165.2	0	0	0	0	109.3	L206 L211 L225 V229 L245	L206-T234 PolarHBondContact N-O 2.63Å; L206-T234 PolarHBondContact O-N 2.93Å; L206-T234 VanDerWaalsContact O-O 3.11Å; L211-T234 HydrophobicContact CD1-CG2 3.21Å; L225-T234 HydrophobicContact CD2-CG2 4.26Å; V229-T234 HydrophobicContact CG1-CG2 3.87Å; V229-T234 HydrophobicContact CG2-CG2 4.23Å; T234-L245 HydrophobicContact CG2-CD1 3.62Å
235	T	95.3	Very high	93.8	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.067	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	147.6	-170.8	52	0	0	0	0	112.5	R203 L204 E205 C246 R247	R203-T235 VanDerWaalsContact NH2-CG2 3.27Å; L204-T235 CarbonylContact O-C 3.6Å; L204-T235 WeakPolarHBondContact O-CA 3.29Å; E205-T235 HydrophobicContact CB-CG2 4.38Å; T235-C246 CarbonylContact C-O 3.6Å; T235-C246 VanDerWaalsContact C-O 3.27Å; T235-C246 WeakPolarHBondContact CB-O 3.25Å; T235-C246 CarbonylContact O-C 3.58Å; T235-C246 PolarHBondContact O-N 3.41Å; T235-C246 PolarHBondContact OG1-O 3.32Å; T235-R247 WeakPolarHBondContact OG1-CA 3.23Å; T235-R247 PolarHBondContact OG1-O 2.82Å
236	A	97.1	Very high	93.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.6	167.1	0	0	0	0	0	109.2	W49 L204 L206 L211 I243 D244	W49-A236 HydrophobicContact CZ3-CB 3.96Å; L204-A236 PolarHBondContact N-O 2.97Å; L204-A236 PolarHBondContact O-N 3.33Å; L206-A236 HydrophobicContact CD1-CB 4.25Å; L211-A236 HydrophobicContact CD2-CB 3.9Å; A236-I243 HydrophobicContact CB-CG2 4.39Å; A236-D244 VanDerWaalsContact CA-O 3.28Å; A236-D244 WeakPolarHBondContact CA-O 2.92Å
237	Y	97.8	Very high	93.7	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.8	174.3	-78	-101	0	0	0	110.3	D113 E202 R203 I243 D244 C246 H250	D113-Y237 VanDerWaalsContact OD1-CE1 3.32Å; D113-Y237 WeakPolarHBondContact OD1-CE1 3.37Å; D113-Y237 PolarHBondContact OD1-OH 2.95Å; D113-Y237 VanDerWaalsContact OD1-OH 3.12Å; D113-Y237 PolarHBondContact OD2-OH 3.34Å; E202-Y237 CarbonylContact O-C 3.52Å; E202-Y237 VanDerWaalsContact O-CA 3.28Å; E202-Y237 WeakPolarHBondContact O-CA 3.13Å; R203-Y237 HydrophobicContact CB-CD1 4.1Å; R203-Y237 HydrophobicContact CB-CE1 3.55Å; R203-Y237 VanDerWaalsContact CD-OH 3.25Å; R203-Y237 WeakPolarHBondContact CD-OH 3.46Å; R203-Y237 HydrophobicContact CG-CE1 3.92Å; R203-Y237 HydrophobicContact CG-CE2 4.04Å; Y237-I243 CarbonylContact O-C 3.56Å; Y237-I243 WeakPolarHBondContact O-CA 3.1Å; Y237-D244 PolarHBondContact N-O 3.4Å; Y237-D244 PolarHBondContact O-N 2.94Å; Y237-C246 HydrophobicContact CD2-CB 4.06Å; Y237-C246 WeakPolarHBondContact CD2-O 3.42Å; Y237-H250 HydrophobicContact CD1-CB 4.31Å; Y237-H250 AromaticContact CD1-CD2 3.47Å; Y237-H250 VanDerWaalsContact CD1-CD2 3.47Å; Y237-H250 WeakPolarHBondContact CD1-CD2 3.42Å; Y237-H250 AromaticContact CD2-CD2 3.77Å; Y237-H250 HydrophobicContact CE1-CB 4.36Å; Y237-H250 AromaticContact CE1-CD2 3.82Å; Y237-H250 AromaticContact CG-CD2 3.42Å; Y237-H250 VanDerWaalsContact CG-CD2 3.42Å
238	R	97	Very high	93.7	Very high	50 Å²	50	42.2 Å²	42.2	19%	0.189	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.1	169.5	178.2	-175.6	170.8	-151	10.7	110.2	W49 N200 F201 E202 G240 L242 I243	W49-R238 HydrophobicContact CD2-CB 3.94Å; W49-R238 VanDerWaalsContact CE2-CB 3.46Å; W49-R238 HydrophobicContact CE3-CB 4.26Å; W49-R238 HydrophobicContact CH2-CB 3.78Å; W49-R238 HydrophobicContact CZ2-CB 3.41Å; W49-R238 VanDerWaalsContact CZ2-CB 3.41Å; W49-R238 HydrophobicContact CZ3-CB 4.18Å; N200-R238 VanDerWaalsContact O-O 3.12Å; F201-R238 CarbonylContact C-O 3.54Å; F201-R238 VanDerWaalsContact CA-O 3.3Å; F201-R238 WeakPolarHBondContact CA-O 3.48Å; E202-R238 HydrophobicContact CB-CB 4.39Å; E202-R238 PolarHBondContact N-O 3.07Å; E202-R238 PolarHBondContact O-N 3.41Å; E202-R238 WeakPolarHBondContact OE2-CD 3.36Å; E202-R238 IonicContact OE2-CZ 2.8Å; E202-R238 IonicContact OE2-NE 3.76Å; E202-R238 IonicContact OE2-NH1 3.01Å; E202-R238 PolarHBondContact OE2-NH1 2.86Å; R238-G240 PolarHBondContact NE-O 2.85Å; R238-L242 CarbonylContact C-O 3.55Å; R238-L242 WeakPolarHBondContact CA-O 3.31Å; R238-L242 WeakPolarHBondContact CG-O 3.46Å; R238-I243 HydrophobicContact CB-CG1 4.02Å; R238-I243 HydrophobicContact CG-CG1 3.94Å
239	C	95.4	Very high	94.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	116.9	159.8	60	0	0	0	0	108.8	F201 L242 T254	F201-C239 HydrophobicContact CD1-CB 3.81Å; F201-C239 HydrophobicContact CD2-CB 4.44Å; F201-C239 HydrophobicContact CE1-CB 3.65Å; F201-C239 HydrophobicContact CE2-CB 4.32Å; F201-C239 HydrophobicContact CG-CB 4.21Å; F201-C239 HydrophobicContact CZ-CB 3.92Å; C239-L242 PolarHBondContact N-O 3.43Å; C239-L242 WeakPolarHBondContact O-CB 3.46Å; C239-L242 PolarHBondContact O-N 3.22Å; C239-T254 HydrophobicContact CB-CG2 4.43Å
240	G	95	Very high	94.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-124.4	-175.3	0	0	0	0	0	112.6	Q199 R238	Q199-G240 VanDerWaalsContact CD-CA 3.45Å; Q199-G240 VanDerWaalsContact OE1-CA 3.26Å; R238-G240 PolarHBondContact NE-O 2.85Å
241	P	95.4	Very high	95	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.026	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-15	175.2	34.7	-33.6	0	0	0	113.6	V28 W38 I42 R45 L46 E148	V28-P241 HydrophobicContact CG1-CG 4.23Å; W38-P241 HydrophobicContact CH2-CG 4.48Å; W38-P241 HydrophobicContact CZ3-CB 4.09Å; W38-P241 HydrophobicContact CZ3-CG 4.27Å; I42-P241 HydrophobicContact CG2-CB 3.87Å; R45-P241 PolarHBondContact NE-O 2.95Å; R45-P241 PolarHBondContact NH2-O 3.49Å; L46-P241 HydrophobicContact CD1-CB 4.4Å; E148-P241 VanDerWaalsContact CD-CD 3.49Å; E148-P241 HydrophobicContact CG-CG 3.81Å; E148-P241 VanDerWaalsContact OE1-CD 3.26Å; E148-P241 WeakPolarHBondContact OE1-CD 3.25Å; E148-P241 WeakPolarHBondContact OE1-CG 3.3Å
242	L	96.8	Very high	95.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	134	177.6	177.1	67.2	0	0	0	110.3	H144 E148 E151 L158 R238 C239 D244	H144-L242 HydrophobicContact CB-CD2 3.87Å; H144-L242 WeakPolarHBondContact O-CD2 3.34Å; E148-L242 HydrophobicContact CB-CB 3.93Å; E148-L242 HydrophobicContact CB-CD2 4.43Å; E148-L242 HydrophobicContact CG-CB 4.36Å; E151-L242 WeakPolarHBondContact OE2-CD1 3.36Å; L158-L242 HydrophobicContact CD1-CD1 3.47Å; L158-L242 VanDerWaalsContact CD1-CD1 3.47Å; R238-L242 CarbonylContact C-O 3.55Å; R238-L242 WeakPolarHBondContact CA-O 3.31Å; R238-L242 WeakPolarHBondContact CG-O 3.46Å; C239-L242 PolarHBondContact N-O 3.43Å; C239-L242 WeakPolarHBondContact O-CB 3.46Å; C239-L242 PolarHBondContact O-N 3.22Å; L242-D244 HydrophobicContact CG-CB 4.48Å
243	I	97.2	Very high	95.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.6	162.6	-57.4	170.6	0	0	0	107.1	R45 L46 W49 M214 F215 A236 Y237 R238	R45-I243 HydrophobicContact CB-CD1 4Å; R45-I243 HydrophobicContact CG-CD1 3.84Å; R45-I243 HydrophobicContact CG-CG1 4.44Å; R45-I243 VanDerWaalsContact O-CD1 3.31Å; R45-I243 WeakPolarHBondContact O-CD1 3.47Å; L46-I243 HydrophobicContact CD2-CD1 4.29Å; W49-I243 HydrophobicContact CB-CD1 3.48Å; W49-I243 VanDerWaalsContact CB-CD1 3.48Å; W49-I243 HydrophobicContact CD2-CD1 4.01Å; W49-I243 HydrophobicContact CD2-CG1 4.36Å; W49-I243 HydrophobicContact CE3-CD1 3.87Å; W49-I243 HydrophobicContact CE3-CG1 4.11Å; W49-I243 HydrophobicContact CE3-CG2 3.65Å; W49-I243 HydrophobicContact CG-CD1 3.87Å; W49-I243 HydrophobicContact CZ3-CG2 3.76Å; M214-I243 HydrophobicContact SD-CD1 4.45Å; M214-I243 HydrophobicContact SD-CG2 3.68Å; F215-I243 WeakPolarHBondContact CE1-O 3.47Å; F215-I243 HydrophobicContact CZ-CG2 4.25Å; A236-I243 HydrophobicContact CB-CG2 4.39Å; Y237-I243 CarbonylContact O-C 3.56Å; Y237-I243 WeakPolarHBondContact O-CA 3.1Å; R238-I243 HydrophobicContact CB-CG1 4.02Å; R238-I243 HydrophobicContact CG-CG1 3.94Å
244	D	96.4	Very high	95.9	Very high	6 Å²	6	21 Å²	21	3%	0.032	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.2	-177.2	-162.6	42.8	0	0	0	112.5	H144 Y170 K221 A236 Y237 L242 C246	H144-D244 IonicContact CE1-OD2 2.67Å; H144-D244 IonicContact NE2-OD2 3.22Å; Y170-D244 PolarHBondContact OH-OD1 3.31Å; Y170-D244 PolarHBondContact OH-OD2 3.46Å; K221-D244 WeakPolarHBondContact CE-OD1 3.37Å; K221-D244 IonicContact NZ-OD1 2.94Å; K221-D244 PolarHBondContact NZ-OD1 3.27Å; K221-D244 IonicContact NZ-OD2 3.81Å; K221-D244 PolarHBondContact NZ-OD2 2.84Å; A236-D244 VanDerWaalsContact CA-O 3.28Å; A236-D244 WeakPolarHBondContact CA-O 2.92Å; Y237-D244 PolarHBondContact N-O 3.4Å; Y237-D244 PolarHBondContact O-N 2.94Å; L242-D244 HydrophobicContact CG-CB 4.48Å; D244-C246 PolarHBondContact O-N 2.85Å
245	L	94.2	Very high	96	Very high	19 Å²	19	20.3 Å²	20.3	10%	0.099	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	109.6	171.9	175.3	66.5	0	0	0	108.8	L211 F215 K221 I224 L225 T234	L211-L245 HydrophobicContact CD1-CD1 4.02Å; L211-L245 HydrophobicContact CD2-CD1 4.31Å; F215-L245 HydrophobicContact CE2-CB 4.06Å; F215-L245 HydrophobicContact CZ-CB 4.31Å; K221-L245 HydrophobicContact CD-CB 4.23Å; I224-L245 HydrophobicContact CB-CD2 4.34Å; I224-L245 HydrophobicContact CG2-CD2 3.75Å; L225-L245 HydrophobicContact CD1-CD2 4.49Å; L225-L245 HydrophobicContact CD2-CD1 3.77Å; L225-L245 HydrophobicContact CD2-CD2 3.61Å; L225-L245 HydrophobicContact CD2-CG 4.35Å; L225-L245 HydrophobicContact CG-CD2 3.67Å; T234-L245 HydrophobicContact CG2-CD1 3.62Å
246	C	94.1	Very high	96.1	Very high	9 Å²	9	20.8 Å²	20.8	6%	0.061	9%	0.093	C	C	.	.			trans	-157	131.6	-166.2	177	0	0	0	0	111.6	H140 T235 Y237 D244 G248 H250	H140-C246 PolarHBondContact CE1-SG 3.06Å; T235-C246 CarbonylContact C-O 3.6Å; T235-C246 VanDerWaalsContact C-O 3.27Å; T235-C246 WeakPolarHBondContact CB-O 3.25Å; T235-C246 CarbonylContact O-C 3.58Å; T235-C246 PolarHBondContact O-N 3.41Å; T235-C246 PolarHBondContact OG1-O 3.32Å; Y237-C246 HydrophobicContact CD2-CB 4.06Å; Y237-C246 WeakPolarHBondContact CD2-O 3.42Å; D244-C246 PolarHBondContact O-N 2.85Å; C246-G248 VanDerWaalsContact C-N 3.26Å; C246-G248 PolarHBondContact O-N 2.94Å; C246-G248 PolarHBondContact SG-N 3.49Å; C246-H250 PolarHBondContact SG-NE2 2.84Å
247	R	92.3	Very high	96.1	Very high	200 Å²	200	20.9 Å²	20.9	76%	0.755	9%	0.094	S	C	*	.			trans	-66.3	-29	173.5	-68.7	-172.7	-178.3	-173.7	1.1	113	T235	T235-R247 WeakPolarHBondContact OG1-CA 3.23Å; T235-R247 PolarHBondContact OG1-O 2.82Å
248	G	92.9	Very high	96	Very high	20 Å²	20	26.9 Å²	26.9	21%	0.206	12%	0.12	C	C	.	.			trans	64.9	-158.9	-172.4	0	0	0	0	0	112.1	C246	C246-G248 VanDerWaalsContact C-N 3.26Å; C246-G248 PolarHBondContact O-N 2.94Å; C246-G248 PolarHBondContact SG-N 3.49Å
249	P	96.6	Very high	96	Very high	6 Å²	6	25 Å²	25	4%	0.039	12%	0.115	C	C	.	.			cis	-76.3	177.9	-2.3	35.3	-38.8	0	0	0	112.8	I104 V111 D113 V137	I104-P249 HydrophobicContact CD1-CB 3.73Å; I104-P249 HydrophobicContact CD1-CG 3.64Å; I104-P249 HydrophobicContact CG1-CB 4.42Å; I104-P249 HydrophobicContact CG1-CG 3.78Å; V111-P249 HydrophobicContact CB-CG 3.86Å; V111-P249 VanDerWaalsContact CG2-CD 3.47Å; V111-P249 HydrophobicContact CG2-CG 3.99Å; D113-P249 HydrophobicContact CB-CB 4.24Å; D113-P249 VanDerWaalsContact OD1-CA 3.28Å; D113-P249 WeakPolarHBondContact OD1-CA 3.34Å; D113-P249 WeakPolarHBondContact OD1-CB 3.31Å; D113-P249 WeakPolarHBondContact OD2-CB 3.4Å; V137-P249 HydrophobicContact CG1-CG 4.47Å; V137-P249 HydrophobicContact CG2-CG 3.96Å
250	H	97.8	Very high	96.1	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.014	12%	0.122	C	C	.	.			trans	-126.8	163.8	175.2	-74.7	-78.9	0	0	0	112.8	D113 H140 S141 H144 F201 Y237 C246	D113-H250 PolarHBondContact OD1-N 3.12Å; H140-H250 AromaticContact CD2-CE1 3.93Å; H140-H250 AromaticContact CE1-CE1 3.72Å; H140-H250 AromaticContact CE1-NE2 3.78Å; H140-H250 AromaticContact CG-CE1 3.8Å; H140-H250 AromaticContact ND1-CE1 3.63Å; H140-H250 AromaticContact ND1-NE2 3.99Å; H140-H250 AromaticContact NE2-CE1 3.9Å; S141-H250 WeakPolarHBondContact CA-ND1 3.29Å; S141-H250 WeakPolarHBondContact OG-CA 3.37Å; S141-H250 PolarHBondContact OG-ND1 2.88Å; S141-H250 VanDerWaalsContact OG-ND1 3.08Å; H144-H250 AromaticContact CD2-CE1 3.43Å; H144-H250 PolarHBondContact CD2-CE1 3.38Å; H144-H250 VanDerWaalsContact CD2-CE1 3.43Å; H144-H250 AromaticContact CD2-NE2 4Å; H144-H250 AromaticContact CE1-CE1 3.48Å; H144-H250 PolarHBondContact CE1-CE1 3.34Å; H144-H250 VanDerWaalsContact CE1-CE1 3.48Å; H144-H250 AromaticContact CE1-NE2 3.27Å; H144-H250 PolarHBondContact CE1-NE2 2.88Å; H144-H250 VanDerWaalsContact CE1-NE2 3.27Å; H144-H250 AromaticContact CG-CE1 3.66Å; H144-H250 AromaticContact ND1-CE1 3.7Å; H144-H250 AromaticContact ND1-NE2 3.77Å; H144-H250 AromaticContact NE2-CE1 3.32Å; H144-H250 PolarHBondContact NE2-CE1 3.42Å; H144-H250 VanDerWaalsContact NE2-CE1 3.32Å; H144-H250 AromaticContact NE2-NE2 3.43Å; H144-H250 PolarHBondContact NE2-NE2 2.88Å; F201-H250 HydrophobicContact CB-CB 3.82Å; F201-H250 HydrophobicContact CD1-CB 3.51Å; F201-H250 AromaticContact CD1-CG 3.57Å; F201-H250 AromaticContact CD1-ND1 3.92Å; F201-H250 HydrophobicContact CD2-CB 4.32Å; F201-H250 HydrophobicContact CE1-CB 4.13Å; F201-H250 AromaticContact CE1-CG 3.9Å; F201-H250 AromaticContact CE1-ND1 3.74Å; F201-H250 HydrophobicContact CG-CB 3.62Å; Y237-H250 HydrophobicContact CD1-CB 4.31Å; Y237-H250 AromaticContact CD1-CD2 3.47Å; Y237-H250 VanDerWaalsContact CD1-CD2 3.47Å; Y237-H250 WeakPolarHBondContact CD1-CD2 3.42Å; Y237-H250 AromaticContact CD2-CD2 3.77Å; Y237-H250 HydrophobicContact CE1-CB 4.36Å; Y237-H250 AromaticContact CE1-CD2 3.82Å; Y237-H250 AromaticContact CG-CD2 3.42Å; Y237-H250 VanDerWaalsContact CG-CD2 3.42Å; C246-H250 PolarHBondContact SG-NE2 2.84Å
251	V	97.5	Very high	96.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	14%	0.14	C	C	.	.			trans	-63.5	154.6	168	-56.4	0	0	0	0	110	I103 Y138 S141 F201 H253 K256	I103-V251 HydrophobicContact CG2-CG1 3.87Å; Y138-V251 HydrophobicContact CD2-CG1 4.07Å; S141-V251 PolarHBondContact OG-N 3.14Å; F201-V251 WeakPolarHBondContact CB-O 3.5Å; F201-V251 HydrophobicContact CD2-CG2 4.07Å; F201-V251 WeakPolarHBondContact CD2-O 3.48Å; F201-V251 HydrophobicContact CE2-CG2 3.83Å; F201-V251 WeakPolarHBondContact CG-O 3.26Å; V251-H253 VanDerWaalsContact C-N 3.35Å; V251-H253 PolarHBondContact O-N 2.88Å; V251-K256 HydrophobicContact CB-CB 4.3Å; V251-K256 HydrophobicContact CB-CG 4.36Å; V251-K256 HydrophobicContact CG2-CB 4.19Å
252	R	97.2	Very high	96.3	Very high	50 Å²	50	31 Å²	31	19%	0.189	14%	0.141	C	C	.	.	S	Bend	trans	-53.8	-46	-175.1	-58.6	-172.7	63.8	-136.5	0.6	114.6	Y88 L114 D115 N200 F201	Y88-R252 VanDerWaalsContact CE1-CZ 3.5Å; Y88-R252 VanDerWaalsContact CE1-NH1 3.27Å; Y88-R252 PolarHBondContact OH-NH1 2.89Å; L114-R252 HydrophobicContact CB-CG 3.81Å; L114-R252 HydrophobicContact CD1-CG 3.97Å; L114-R252 HydrophobicContact CG-CG 4.5Å; D115-R252 VanDerWaalsContact CG-NE 3.28Å; D115-R252 IonicContact OD1-CZ 2.69Å; D115-R252 IonicContact OD1-NE 2.82Å; D115-R252 PolarHBondContact OD1-NE 2.88Å; D115-R252 IonicContact OD1-NH2 3.34Å; D115-R252 PolarHBondContact OD1-NH2 3.3Å; D115-R252 WeakPolarHBondContact OD2-CB 3.31Å; D115-R252 WeakPolarHBondContact OD2-CG 3.28Å; D115-R252 IonicContact OD2-CZ 2.67Å; D115-R252 IonicContact OD2-NE 3.62Å; D115-R252 PolarHBondContact OD2-NE 2.8Å; D115-R252 IonicContact OD2-NH2 3.63Å; N200-R252 WeakPolarHBondContact CA-O 3.49Å; F201-R252 PolarHBondContact N-O 3.15Å
253	H	97	Very high	96.1	Very high	40 Å²	40	33.8 Å²	33.8	19%	0.185	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-153.7	154.9	-178.8	63.5	70.5	0	0	0	111.4	Q199 V251 G255 K256	Q199-H253 CarbonylContact O-C 3.57Å; Q199-H253 WeakPolarHBondContact O-CA 3.46Å; Q199-H253 WeakPolarHBondContact O-CB 3.32Å; V251-H253 VanDerWaalsContact C-N 3.35Å; V251-H253 PolarHBondContact O-N 2.88Å; H253-G255 VanDerWaalsContact ND1-CA 3.31Å; H253-G255 WeakPolarHBondContact ND1-CA 3Å; H253-G255 PolarHBondContact ND1-N 2.93Å; H253-G255 VanDerWaalsContact ND1-N 3.13Å; H253-G255 PolarHBondContact O-N 2.85Å; H253-G255 VanDerWaalsContact O-N 3.09Å; H253-K256 PolarHBondContact ND1-N 2.85Å; H253-K256 WeakPolarHBondContact O-CB 3.41Å; H253-K256 PolarHBondContact O-N 2.83Å
254	T	97.4	Very high	95.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-55.6	-31.4	-177.9	59.2	0	0	0	0	113.1	V145 A194 K198 Q199 F201 C239 K256 I257	V145-T254 HydrophobicContact CG2-CG2 3.61Å; A194-T254 PolarHBondContact O-OG1 3.3Å; K198-T254 WeakPolarHBondContact CA-OG1 3.34Å; Q199-T254 HydrophobicContact CB-CG2 3.96Å; Q199-T254 PolarHBondContact N-OG1 3.19Å; Q199-T254 PolarHBondContact O-N 2.9Å; F201-T254 HydrophobicContact CE2-CG2 3.87Å; F201-T254 HydrophobicContact CZ-CG2 4.25Å; C239-T254 HydrophobicContact CB-CG2 4.43Å; T254-K256 PolarHBondContact O-N 2.8Å; T254-I257 VanDerWaalsContact O-CB 3.3Å; T254-I257 WeakPolarHBondContact O-CB 3.48Å; T254-I257 PolarHBondContact O-N 3.01Å
255	G	96.4	Very high	95.6	Very high	4 Å²	4	41.4 Å²	41.4	4%	0.041	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-63.4	-6.3	175.2	0	0	0	0	0	116.3	I195 H253 K258	I195-G255 WeakPolarHBondContact O-CA 3.32Å; H253-G255 VanDerWaalsContact ND1-CA 3.31Å; H253-G255 WeakPolarHBondContact ND1-CA 3Å; H253-G255 PolarHBondContact ND1-N 2.93Å; H253-G255 VanDerWaalsContact ND1-N 3.13Å; H253-G255 PolarHBondContact O-N 2.85Å; H253-G255 VanDerWaalsContact O-N 3.09Å; G255-K258 WeakPolarHBondContact O-CE 3.24Å; G255-K258 PolarHBondContact O-NZ 3.13Å
256	K	96	Very high	95.4	Very high	22 Å²	22	42.2 Å²	42.2	10%	0.096	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-68.5	-22.9	165.6	-75	-68.2	-149.2	176.6	0	111.5	D100 T102 Y138 V251 H253 T254 K258	D100-K256 PolarHBondContact O-NZ 2.97Å; T102-K256 PolarHBondContact O-NZ 3.1Å; Y138-K256 PolarHBondContact OH-O 3.5Å; V251-K256 HydrophobicContact CB-CB 4.3Å; V251-K256 HydrophobicContact CB-CG 4.36Å; V251-K256 HydrophobicContact CG2-CB 4.19Å; H253-K256 PolarHBondContact ND1-N 2.85Å; H253-K256 WeakPolarHBondContact O-CB 3.41Å; H253-K256 PolarHBondContact O-N 2.83Å; T254-K256 PolarHBondContact O-N 2.8Å; K256-K258 PolarHBondContact O-N 3.25Å
257	I	97.4	Very high	95	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	22%	0.222	C	C	.	.			trans	-78.5	108	177.2	-56.6	157.1	0	0	0	109.5	Y138 T142 V145 I195 T254 F260	Y138-I257 VanDerWaalsContact OH-CA 3.25Å; Y138-I257 WeakPolarHBondContact OH-CA 3.37Å; T142-I257 HydrophobicContact CG2-CD1 4.12Å; T142-I257 HydrophobicContact CG2-CG2 4.32Å; T142-I257 WeakPolarHBondContact OG1-CD1 3.34Å; V145-I257 HydrophobicContact CG2-CD1 3.74Å; I195-I257 HydrophobicContact CD1-CB 3.99Å; I195-I257 HydrophobicContact CD1-CG2 3.73Å; I195-I257 HydrophobicContact CG1-CB 4.2Å; I195-I257 HydrophobicContact CG1-CG2 4.48Å; I195-I257 WeakPolarHBondContact CG2-O 3.47Å; T254-I257 VanDerWaalsContact O-CB 3.3Å; T254-I257 WeakPolarHBondContact O-CB 3.48Å; T254-I257 PolarHBondContact O-N 3.01Å; I257-F260 HydrophobicContact CG2-CB 4.23Å; I257-F260 HydrophobicContact CG2-CD1 4.39Å
258	K	96.3	Very high	94.7	Very high	128 Å²	128	37.3 Å²	37.3	56%	0.557	20%	0.196	S	C	*	.			trans	-100	-36.5	-174.8	-60.8	-51.2	-171.2	-172.6	0	114	G255 K256 F287 P288	G255-K258 WeakPolarHBondContact O-CE 3.24Å; G255-K258 PolarHBondContact O-NZ 3.13Å; K256-K258 PolarHBondContact O-N 3.25Å; K258-F287 PolarHBondContact N-O 3.08Å; K258-P288 VanDerWaalsContact CB-O 3.31Å; K258-P288 WeakPolarHBondContact CB-O 3.36Å; K258-P288 WeakPolarHBondContact CG-O 3.45Å
259	A	97	Very high	94.5	Very high	11 Å²	11	40.2 Å²	40.2	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.2	175	0	0	0	0	0	109.1	S286 F287 T290 M293	A259-S286 CarbonylContact O-C 3.58Å; A259-S286 WeakPolarHBondContact O-CA 3.5Å; A259-S286 WeakPolarHBondContact O-CB 3.3Å; A259-F287 PolarHBondContact N-O 3.06Å; A259-F287 PolarHBondContact O-N 2.95Å; A259-T290 HydrophobicContact CB-CG2 4.29Å; A259-M293 HydrophobicContact CB-CB 3.67Å; A259-M293 HydrophobicContact CB-CG 4.07Å
260	F	97.6	Very high	94.2	Very high	32 Å²	32	40 Å²	40	14%	0.14	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	162	175.1	74.3	-83.9	0	0	0	110.6	E188 M191 K192 I195 I257 I285	E188-F260 HydrophobicContact CB-CE2 4.16Å; E188-F260 HydrophobicContact CB-CZ 4.49Å; E188-F260 HydrophobicContact CG-CE2 3.98Å; M191-F260 HydrophobicContact CB-CE1 4.49Å; M191-F260 HydrophobicContact CB-CE2 3.66Å; M191-F260 HydrophobicContact CB-CZ 3.53Å; M191-F260 HydrophobicContact CE-CD2 3.73Å; M191-F260 HydrophobicContact CE-CE2 3.76Å; M191-F260 HydrophobicContact CE-CG 4.5Å; M191-F260 HydrophobicContact CG-CE2 4.31Å; M191-F260 HydrophobicContact SD-CD2 4.17Å; M191-F260 HydrophobicContact SD-CE2 3.7Å; K192-F260 HydrophobicContact CG-CE1 3.79Å; K192-F260 HydrophobicContact CG-CZ 3.74Å; I195-F260 HydrophobicContact CD1-CD1 3.57Å; I195-F260 HydrophobicContact CD1-CE1 3.42Å; I195-F260 VanDerWaalsContact CD1-CE1 3.42Å; I195-F260 HydrophobicContact CD1-CG 4.43Å; I195-F260 HydrophobicContact CD1-CZ 4.17Å; I257-F260 HydrophobicContact CG2-CB 4.23Å; I257-F260 HydrophobicContact CG2-CD1 4.39Å; F260-I285 CarbonylContact C-O 3.48Å; F260-I285 WeakPolarHBondContact CA-O 3.47Å; F260-I285 WeakPolarHBondContact CB-O 3.43Å
261	K	96.9	Very high	93.5	Very high	91 Å²	91	43.3 Å²	43.3	40%	0.396	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	133.8	172.2	-177.8	165.2	-176.6	170.7	0	109.7	E188 T263 G284 I285 M293	E188-K261 WeakPolarHBondContact OE1-CA 3.28Å; K261-T263 HydrophobicContact CG-CG2 4.46Å; K261-G284 CarbonylContact O-C 3.46Å; K261-G284 VanDerWaalsContact O-CA 3.24Å; K261-G284 WeakPolarHBondContact O-CA 3.5Å; K261-I285 HydrophobicContact CB-CG2 4.5Å; K261-I285 PolarHBondContact N-O 3.43Å; K261-I285 PolarHBondContact O-N 3.36Å; K261-M293 HydrophobicContact CB-CE 3.49Å; K261-M293 VanDerWaalsContact CB-CE 3.49Å; K261-M293 HydrophobicContact CD-CE 3.98Å; K261-M293 HydrophobicContact CG-CE 4.37Å
262	V	97.5	Very high	92.5	Very high	6 Å²	6	46.1 Å²	46.1	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119.8	166.5	-177.6	0	0	0	0	106.9	L146 L184 E188 M191 I282 Y283	L146-V262 HydrophobicContact CD1-CG2 4.38Å; L184-V262 HydrophobicContact CB-CB 4.49Å; L184-V262 HydrophobicContact CB-CG1 4.17Å; L184-V262 HydrophobicContact CD1-CG1 4.14Å; L184-V262 HydrophobicContact CD2-CG1 3.81Å; L184-V262 HydrophobicContact CG-CG1 4.24Å; E188-V262 HydrophobicContact CG-CB 3.98Å; E188-V262 HydrophobicContact CG-CG2 3.62Å; E188-V262 PolarHBondContact OE1-N 2.84Å; M191-V262 HydrophobicContact SD-CG2 3.78Å; V262-I282 HydrophobicContact CG1-CG2 3.56Å; V262-Y283 CarbonylContact C-O 3.53Å; V262-Y283 WeakPolarHBondContact CA-O 3.26Å; V262-Y283 WeakPolarHBondContact CG1-O 3.39Å
263	T	92.8	Very high	91.6	Very high	60 Å²	60	48.2 Å²	48.2	37%	0.368	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-39.6	-162.3	54.8	0	0	0	0	113.4	K261 Y283 I285 W296	K261-T263 HydrophobicContact CG-CG2 4.46Å; T263-Y283 PolarHBondContact N-O 2.92Å; T263-Y283 WeakPolarHBondContact OG1-CB 3.36Å; T263-Y283 PolarHBondContact OG1-O 3.22Å; T263-I285 HydrophobicContact CG2-CG2 4.1Å; T263-W296 HydrophobicContact CG2-CH2 3.84Å; T263-W296 HydrophobicContact CG2-CZ2 4.34Å
264	K	91.8	Very high	90.7	Very high	117 Å²	117	49.9 Å²	49.9	51%	0.509	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	168.5	179.6	62	179.1	-177.6	178.7	0	111	Y283	K264-Y283 HydrophobicContact CD-CD2 4.16Å; K264-Y283 HydrophobicContact CD-CE2 4.45Å; K264-Y283 HydrophobicContact CD-CG 4.42Å; K264-Y283 HydrophobicContact CG-CD2 3.53Å; K264-Y283 HydrophobicContact CG-CE2 4.23Å; K264-Y283 HydrophobicContact CG-CG 3.82Å; K264-Y283 PolarHBondContact O-N 2.84Å
265	N	91.4	Very high	90.1	Very high	48 Å²	48	56.8 Å²	56.8	26%	0.257	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	159.2	164.8	62.6	67.8	0	0	0	110.1	V179 T180 A181 L184 R281	V179-N265 HydrophobicContact CB-CB 4.22Å; V179-N265 HydrophobicContact CG1-CB 3.73Å; V179-N265 PolarHBondContact O-OD1 2.73Å; T180-N265 PolarHBondContact O-ND2 3.1Å; A181-N265 PolarHBondContact N-ND2 3Å; L184-N265 HydrophobicContact CD2-CB 4.49Å; N265-R281 CarbonylContact C-O 3.49Å; N265-R281 VanDerWaalsContact CA-O 3.23Å; N265-R281 WeakPolarHBondContact CA-O 3.42Å
266	S	89.5	Confident	89.7	Confident	37 Å²	37	59.6 Å²	59.6	26%	0.259	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	166.4	169.3	69.6	0	0	0	0	110.6	R281 Y283	S266-R281 PolarHBondContact N-O 2.86Å; S266-R281 PolarHBondContact O-N 2.8Å; S266-Y283 VanDerWaalsContact OG-CE2 3.32Å; S266-Y283 WeakPolarHBondContact OG-CE2 3.39Å; S266-Y283 PolarHBondContact OG-OH 2.78Å
267	S	86.7	Confident	89.5	Confident	73 Å²	73	60.5 Å²	60.5	51%	0.51	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	145.2	167.7	177.7	0	0	0	0	110.6	T278 L279	S267-T278 WeakPolarHBondContact OG-CG2 3.46Å; S267-L279 WeakPolarHBondContact CA-O 3.35Å
268	T	86.1	Confident	89.2	Confident	33 Å²	33	63.3 Å²	63.3	20%	0.202	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	171.1	173.9	-165	0	0	0	0	110.4	T278 L279 R281	T268-T278 CarbonylContact O-C 3.57Å; T268-T278 WeakPolarHBondContact O-CA 3.46Å; T268-L279 HydrophobicContact CG2-CB 3.88Å; T268-L279 HydrophobicContact CG2-CD1 4.26Å; T268-L279 HydrophobicContact CG2-CG 4.48Å; T268-L279 PolarHBondContact N-O 3.37Å; T268-L279 PolarHBondContact O-N 2.88Å; T268-R281 HydrophobicContact CG2-CB 4.41Å
269	F	87.6	Confident	89.1	Confident	81 Å²	81	57.3 Å²	57.3	36%	0.355	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	148.8	176	-60.8	-74.8	0	0	0	110.5	E271 G272 K273 A274 T278	F269-E271 PolarHBondContact O-N 3.02Å; F269-G272 PolarHBondContact O-N 3.4Å; F269-K273 WeakPolarHBondContact CB-O 3.38Å; F269-A274 HydrophobicContact CD2-CB 4.37Å; F269-A274 HydrophobicContact CE2-CB 4.27Å; F269-T278 WeakPolarHBondContact CE1-OG1 3.39Å
270	W	90.1	Very high	88.9	Confident	1 Å²	1	57.4 Å²	57.4	0%	0.004	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-54	124.1	172	-177	-105.1	0	0	0	110.5	C159 Y160 F220 R223 I224 G272 K273 M276 E277 L279	C159-W270 HydrophobicContact CB-CZ3 3.91Å; Y160-W270 HydrophobicContact CD2-CZ3 4.08Å; Y160-W270 HydrophobicContact CE2-CE3 4.16Å; Y160-W270 AromaticContact CE2-CH2 3.72Å; Y160-W270 HydrophobicContact CE2-CH2 3.72Å; Y160-W270 HydrophobicContact CE2-CZ2 4.35Å; Y160-W270 AromaticContact CE2-CZ3 3.6Å; Y160-W270 HydrophobicContact CE2-CZ3 3.6Å; Y160-W270 AromaticContact CZ-CH2 3.92Å; F220-W270 HydrophobicContact CB-CE3 4.34Å; F220-W270 HydrophobicContact CB-CH2 3.66Å; F220-W270 HydrophobicContact CB-CZ2 4.43Å; F220-W270 HydrophobicContact CB-CZ3 3.62Å; F220-W270 AromaticContact CD1-CD2 3.55Å; F220-W270 HydrophobicContact CD1-CD2 3.55Å; F220-W270 AromaticContact CD1-CE3 3.21Å; F220-W270 HydrophobicContact CD1-CE3 3.21Å; F220-W270 HydrophobicContact CD1-CG 4.24Å; F220-W270 AromaticContact CD1-CH2 3.89Å; F220-W270 HydrophobicContact CD1-CH2 3.89Å; F220-W270 HydrophobicContact CD1-CZ2 4.2Å; F220-W270 AromaticContact CD1-CZ3 3.41Å; F220-W270 HydrophobicContact CD1-CZ3 3.41Å; F220-W270 VanDerWaalsContact CD1-CZ3 3.41Å; F220-W270 HydrophobicContact CE1-CB 4.37Å; F220-W270 AromaticContact CE1-CD2 3.96Å; F220-W270 HydrophobicContact CE1-CD2 3.96Å; F220-W270 AromaticContact CE1-CE3 3.79Å; F220-W270 HydrophobicContact CE1-CE3 3.79Å; F220-W270 HydrophobicContact CE1-CG 4.2Å; F220-W270 HydrophobicContact CE1-CZ3 4.39Å; F220-W270 HydrophobicContact CG-CE3 4.11Å; F220-W270 HydrophobicContact CG-CH2 4.26Å; F220-W270 AromaticContact CG-CZ3 3.88Å; F220-W270 HydrophobicContact CG-CZ3 3.88Å; R223-W270 HydrophobicContact CB-CZ2 4.07Å; I224-W270 HydrophobicContact CD1-CH2 3.79Å; I224-W270 HydrophobicContact CG1-CH2 3.78Å; I224-W270 HydrophobicContact CG1-CZ2 4.21Å; W270-G272 PolarHBondContact O-N 3.37Å; W270-K273 PolarHBondContact O-N 2.9Å; W270-M276 HydrophobicContact CB-CB 3.97Å; W270-E277 PolarHBondContact N-O 2.98Å; W270-L279 HydrophobicContact CB-CD1 4.48Å; W270-L279 HydrophobicContact CE3-CD1 3.84Å
271	E	83.5	Confident	88.8	Confident	73 Å²	73	58 Å²	58	34%	0.341	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	53.1	20.5	-172.9	-52.9	-161	128.1	0	0	115.6	K228 F269 K273	K228-E271 IonicContact NZ-OE1 2.79Å; F269-E271 PolarHBondContact O-N 3.02Å; E271-K273 HydrophobicContact CB-CD 4.24Å; E271-K273 HydrophobicContact CB-CG 4.45Å; E271-K273 PolarHBondContact O-N 3.34Å; E271-K273 IonicContact OE2-NZ 2.77Å; E271-K273 PolarHBondContact OE2-NZ 3.13Å
272	G	77.3	Confident	88.8	Confident	59 Å²	59	53.8 Å²	53.8	61%	0.608	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	70.8	10.9	-175.2	0	0	0	0	0	114.5	F269 W270	F269-G272 PolarHBondContact O-N 3.4Å; W270-G272 PolarHBondContact O-N 3.37Å
273	K	77.8	Confident	88.7	Confident	94 Å²	94	55.2 Å²	55.2	41%	0.409	31%	0.309	S	S	.	.			trans	-91.2	111	-178.1	-70.2	168.9	-179.9	161	0	110.3	F269 W270 E271 N275 M276	F269-K273 WeakPolarHBondContact CB-O 3.38Å; W270-K273 PolarHBondContact O-N 2.9Å; E271-K273 HydrophobicContact CB-CD 4.24Å; E271-K273 HydrophobicContact CB-CG 4.45Å; E271-K273 PolarHBondContact O-N 3.34Å; E271-K273 IonicContact OE2-NZ 2.77Å; E271-K273 PolarHBondContact OE2-NZ 3.13Å; K273-N275 PolarHBondContact O-N 2.98Å; K273-M276 HydrophobicContact CB-CB 4.22Å; K273-M276 HydrophobicContact CB-CG 3.81Å; K273-M276 HydrophobicContact CB-SD 3.88Å; K273-M276 HydrophobicContact CD-CE 4.12Å; K273-M276 HydrophobicContact CD-CG 4.36Å; K273-M276 HydrophobicContact CD-SD 3.47Å; K273-M276 WeakPolarHBondContact CD-SD 3.39Å; K273-M276 HydrophobicContact CG-SD 4.29Å; K273-M276 WeakPolarHBondContact O-CB 3.4Å; K273-M276 PolarHBondContact O-N 3.23Å
274	A	78.5	Confident	88.9	Confident	76 Å²	76	52.6 Å²	52.6	63%	0.628	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.9	-174.8	0	0	0	0	0	115.4	F269	F269-A274 HydrophobicContact CD2-CB 4.37Å; F269-A274 HydrophobicContact CE2-CB 4.27Å
275	N	83.2	Confident	89.2	Confident	144 Å²	144	47 Å²	47	77%	0.77	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	1.1	174.8	66.7	-35.8	0	0	0	113.6	K273	K273-N275 PolarHBondContact O-N 2.98Å
276	M	89.3	Confident	89.5	Confident	63 Å²	63	44.8 Å²	44.8	31%	0.31	26%	0.258	S	S	.	.	S	Bend	trans	-104.5	175.9	178.1	-65	-169.8	145.3	0	0	111.5	W270 K273 T278	W270-M276 HydrophobicContact CB-CB 3.97Å; K273-M276 HydrophobicContact CB-CB 4.22Å; K273-M276 HydrophobicContact CB-CG 3.81Å; K273-M276 HydrophobicContact CB-SD 3.88Å; K273-M276 HydrophobicContact CD-CE 4.12Å; K273-M276 HydrophobicContact CD-CG 4.36Å; K273-M276 HydrophobicContact CD-SD 3.47Å; K273-M276 WeakPolarHBondContact CD-SD 3.39Å; K273-M276 HydrophobicContact CG-SD 4.29Å; K273-M276 WeakPolarHBondContact O-CB 3.4Å; K273-M276 PolarHBondContact O-N 3.23Å; M276-T278 PolarHBondContact O-N 3.13Å
277	E	92.1	Very high	89.8	Confident	41 Å²	41	43.9 Å²	43.9	19%	0.192	25%	0.249	C	C	.	.			trans	-56.8	139.6	-175	-63.7	98.8	145.5	0	0	113	F173 K219 F220 R223 W270	F173-E277 HydrophobicContact CD2-CB 4.03Å; F173-E277 HydrophobicContact CE2-CB 3.88Å; F173-E277 HydrophobicContact CE2-CG 4.09Å; K219-E277 WeakPolarHBondContact CE-OE1 3.45Å; K219-E277 IonicContact NZ-OE1 3.67Å; K219-E277 PolarHBondContact NZ-OE1 3.41Å; F220-E277 HydrophobicContact CE1-CB 4Å; F220-E277 HydrophobicContact CE1-CG 4.35Å; F220-E277 HydrophobicContact CZ-CB 3.85Å; F220-E277 HydrophobicContact CZ-CG 4.08Å; R223-E277 IonicContact CZ-OE1 3.8Å; R223-E277 IonicContact CZ-OE2 2.9Å; R223-E277 IonicContact NH1-OE1 2.85Å; R223-E277 PolarHBondContact NH1-OE1 3.3Å; R223-E277 IonicContact NH1-OE2 3.72Å; R223-E277 PolarHBondContact NH1-OE2 2.95Å; R223-E277 IonicContact NH2-OE1 2.72Å; R223-E277 PolarHBondContact NH2-OE1 3.46Å; R223-E277 IonicContact NH2-OE2 3.22Å; W270-E277 PolarHBondContact N-O 2.98Å
278	T	90.3	Very high	90.3	Very high	62 Å²	62	42 Å²	42	38%	0.38	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.1	173.9	-58.5	0	0	0	0	109.6	F173 S267 T268 F269 M276	F173-T278 WeakPolarHBondContact CD2-O 2.98Å; S267-T278 WeakPolarHBondContact OG-CG2 3.46Å; T268-T278 CarbonylContact O-C 3.57Å; T268-T278 WeakPolarHBondContact O-CA 3.46Å; F269-T278 WeakPolarHBondContact CE1-OG1 3.39Å; M276-T278 PolarHBondContact O-N 3.13Å
279	L	93.6	Very high	90.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	150.8	179.4	-46.5	176.7	0	0	0	110.1	C159 D171 F173 F220 S267 T268 W270	C159-L279 HydrophobicContact CB-CD1 4.38Å; D171-L279 HydrophobicContact CB-CB 4.49Å; D171-L279 HydrophobicContact CB-CD1 4.11Å; F173-L279 HydrophobicContact CB-CD2 3.87Å; F173-L279 HydrophobicContact CD2-CD2 4.21Å; F220-L279 HydrophobicContact CD1-CD2 4.46Å; F220-L279 HydrophobicContact CE1-CD2 3.82Å; F220-L279 HydrophobicContact CZ-CD2 3.87Å; S267-L279 WeakPolarHBondContact CA-O 3.35Å; T268-L279 HydrophobicContact CG2-CB 3.88Å; T268-L279 HydrophobicContact CG2-CD1 4.26Å; T268-L279 HydrophobicContact CG2-CG 4.48Å; T268-L279 PolarHBondContact N-O 3.37Å; T268-L279 PolarHBondContact O-N 2.88Å; W270-L279 HydrophobicContact CB-CD1 4.48Å; W270-L279 HydrophobicContact CE3-CD1 3.84Å
280	Q	93.8	Very high	91	Very high	14 Å²	14	44 Å²	44	7%	0.065	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.2	170.4	-55.9	-61.9	-45.1	0	0	109	D171 M172 M174 V179	D171-Q280 CarbonylContact C-O 3.56Å; D171-Q280 WeakPolarHBondContact CA-O 3.45Å; M172-Q280 PolarHBondContact N-O 3.04Å; M172-Q280 PolarHBondContact O-N 2.85Å; M174-Q280 HydrophobicContact CE-CB 4.22Å; M174-Q280 HydrophobicContact CE-CG 3.63Å; V179-Q280 HydrophobicContact CB-CB 4.34Å; V179-Q280 HydrophobicContact CG2-CB 3.59Å; V179-Q280 HydrophobicContact CG2-CG 4.02Å; V179-Q280 VanDerWaalsContact N-OE1 3.09Å
281	R	94.6	Very high	91.2	Very high	44 Å²	44	50.7 Å²	50.7	17%	0.166	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.8	178.5	-175.9	168.1	-73.9	-173.4	-3.9	110.2	Y169 D171 N265 S266 T268 Y283	Y169-R281 HydrophobicContact CD2-CG 3.74Å; Y169-R281 VanDerWaalsContact CD2-NE 3.34Å; Y169-R281 VanDerWaalsContact CE2-NE 3.35Å; Y169-R281 VanDerWaalsContact CE2-NH2 3.29Å; Y169-R281 HydrophobicContact CG-CG 3.92Å; Y169-R281 VanDerWaalsContact CZ-CZ 3.45Å; Y169-R281 PolarHBondContact OH-NH2 2.88Å; D171-R281 WeakPolarHBondContact OD1-CA 3.42Å; D171-R281 WeakPolarHBondContact OD1-CB 3.44Å; D171-R281 WeakPolarHBondContact OD1-CD 3.46Å; D171-R281 WeakPolarHBondContact OD1-CG 3.13Å; D171-R281 IonicContact OD1-CZ 2.68Å; D171-R281 IonicContact OD1-NE 2.96Å; D171-R281 PolarHBondContact OD1-NE 2.92Å; D171-R281 IonicContact OD1-NH2 3.54Å; D171-R281 PolarHBondContact OD1-NH2 3.16Å; D171-R281 IonicContact OD2-CZ 3.9Å; D171-R281 IonicContact OD2-NE 2.63Å; D171-R281 PolarHBondContact OD2-NE 2.83Å; D171-R281 IonicContact OD2-NH2 3.14Å; D171-R281 PolarHBondContact OD2-NH2 3.45Å; N265-R281 CarbonylContact C-O 3.49Å; N265-R281 VanDerWaalsContact CA-O 3.23Å; N265-R281 WeakPolarHBondContact CA-O 3.42Å; S266-R281 PolarHBondContact N-O 2.86Å; S266-R281 PolarHBondContact O-N 2.8Å; T268-R281 HydrophobicContact CG2-CB 4.41Å; R281-Y283 HydrophobicContact CB-CE2 4.21Å; R281-Y283 WeakPolarHBondContact CD-OH 3.27Å; R281-Y283 HydrophobicContact CG-CD2 4.16Å; R281-Y283 HydrophobicContact CG-CE1 4.37Å; R281-Y283 HydrophobicContact CG-CE2 3.58Å
282	I	96.3	Very high	91.8	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.9	178.8	-49.4	178.3	0	0	0	108.6	L146 F154 Y169 Y170 V179 L184 L187 V262	L146-I282 HydrophobicContact CD1-CG2 4.05Å; L146-I282 HydrophobicContact CD2-CB 4.01Å; L146-I282 HydrophobicContact CD2-CG2 3.88Å; F154-I282 HydrophobicContact CE2-CD1 4.19Å; Y169-I282 CarbonylContact C-O 3.55Å; Y169-I282 WeakPolarHBondContact CA-O 3.33Å; Y169-I282 WeakPolarHBondContact CB-O 3.41Å; Y170-I282 PolarHBondContact N-O 2.92Å; Y170-I282 PolarHBondContact O-N 3.4Å; V179-I282 HydrophobicContact CG1-CD1 4.07Å; V179-I282 HydrophobicContact CG1-CG1 4.12Å; V179-I282 HydrophobicContact CG2-CD1 3.92Å; V179-I282 HydrophobicContact CG2-CG1 4.16Å; L184-I282 HydrophobicContact CD2-CG2 4.3Å; L187-I282 HydrophobicContact CD1-CD1 3.65Å; L187-I282 HydrophobicContact CD1-CG2 4.26Å; V262-I282 HydrophobicContact CG1-CG2 3.56Å
283	Y	96.8	Very high	92.6	Very high	37 Å²	37	47.4 Å²	47.4	15%	0.145	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	147	-176.5	-61.3	-103.2	0	0	0	111	I164 F168 Y169 V262 T263 K264 S266 R281	I164-Y283 HydrophobicContact CD1-CD1 4.07Å; I164-Y283 HydrophobicContact CD1-CE1 4.39Å; F168-Y283 WeakPolarHBondContact O-CA 3.44Å; Y169-Y283 HydrophobicContact CD1-CE1 4.48Å; V262-Y283 CarbonylContact C-O 3.53Å; V262-Y283 WeakPolarHBondContact CA-O 3.26Å; V262-Y283 WeakPolarHBondContact CG1-O 3.39Å; T263-Y283 PolarHBondContact N-O 2.92Å; T263-Y283 WeakPolarHBondContact OG1-CB 3.36Å; T263-Y283 PolarHBondContact OG1-O 3.22Å; K264-Y283 HydrophobicContact CD-CD2 4.16Å; K264-Y283 HydrophobicContact CD-CE2 4.45Å; K264-Y283 HydrophobicContact CD-CG 4.42Å; K264-Y283 HydrophobicContact CG-CD2 3.53Å; K264-Y283 HydrophobicContact CG-CE2 4.23Å; K264-Y283 HydrophobicContact CG-CG 3.82Å; K264-Y283 PolarHBondContact O-N 2.84Å; S266-Y283 VanDerWaalsContact OG-CE2 3.32Å; S266-Y283 WeakPolarHBondContact OG-CE2 3.39Å; S266-Y283 PolarHBondContact OG-OH 2.78Å; R281-Y283 HydrophobicContact CB-CE2 4.21Å; R281-Y283 WeakPolarHBondContact CD-OH 3.27Å; R281-Y283 HydrophobicContact CG-CD2 4.16Å; R281-Y283 HydrophobicContact CG-CE1 4.37Å; R281-Y283 HydrophobicContact CG-CE2 3.58Å
284	G	96.9	Very high	93.4	Very high	4 Å²	4	49.8 Å²	49.8	4%	0.041	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	168.1	174.2	0	0	0	0	0	112.8	G167 F168 K261	G167-G284 WeakPolarHBondContact CA-O 3.32Å; F168-G284 WeakPolarHBondContact CD1-O 3.29Å; F168-G284 WeakPolarHBondContact CE1-O 3.35Å; F168-G284 PolarHBondContact N-O 2.71Å; F168-G284 PolarHBondContact O-N 3.15Å; K261-G284 CarbonylContact O-C 3.46Å; K261-G284 VanDerWaalsContact O-CA 3.24Å; K261-G284 WeakPolarHBondContact O-CA 3.5Å
285	I	97	Very high	94.1	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.9	170.3	-162.1	170.5	0	0	0	109.6	N166 F260 K261 T263 F287 M293 W296	N166-I285 WeakPolarHBondContact O-CD1 3.39Å; N166-I285 WeakPolarHBondContact O-CG1 3.19Å; F260-I285 CarbonylContact C-O 3.48Å; F260-I285 WeakPolarHBondContact CA-O 3.47Å; F260-I285 WeakPolarHBondContact CB-O 3.43Å; K261-I285 HydrophobicContact CB-CG2 4.5Å; K261-I285 PolarHBondContact N-O 3.43Å; K261-I285 PolarHBondContact O-N 3.36Å; T263-I285 HydrophobicContact CG2-CG2 4.1Å; I285-F287 HydrophobicContact CD1-CE2 3.74Å; I285-F287 HydrophobicContact CD1-CZ 3.5Å; I285-F287 VanDerWaalsContact CD1-CZ 3.5Å; I285-F287 HydrophobicContact CG1-CE2 3.83Å; I285-F287 HydrophobicContact CG1-CZ 3.91Å; I285-F287 HydrophobicContact CG2-CE2 4.3Å; I285-M293 HydrophobicContact CG2-SD 4.49Å; I285-W296 HydrophobicContact CB-CZ2 4.46Å; I285-W296 HydrophobicContact CD1-CD2 3.94Å; I285-W296 VanDerWaalsContact CD1-CE2 3.45Å; I285-W296 HydrophobicContact CD1-CG 4.03Å; I285-W296 HydrophobicContact CD1-CZ2 3.99Å; I285-W296 HydrophobicContact CG2-CD2 4.2Å; I285-W296 HydrophobicContact CG2-CE3 4.09Å; I285-W296 HydrophobicContact CG2-CH2 3.68Å; I285-W296 HydrophobicContact CG2-CZ2 3.76Å; I285-W296 HydrophobicContact CG2-CZ3 3.85Å
286	S	98	Very high	94.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	157.8	178.6	56.2	0	0	0	0	112.6	Y138 W139 T142 A259	Y138-S286 VanDerWaalsContact CE1-OG 3.25Å; Y138-S286 WeakPolarHBondContact CE1-OG 3.36Å; W139-S286 PolarHBondContact NE1-O 3.4Å; W139-S286 VanDerWaalsContact NE1-O 3.07Å; T142-S286 WeakPolarHBondContact CB-OG 3.25Å; T142-S286 WeakPolarHBondContact CG2-OG 3.42Å; T142-S286 PolarHBondContact OG1-OG 3.14Å; A259-S286 CarbonylContact O-C 3.58Å; A259-S286 WeakPolarHBondContact O-CA 3.5Å; A259-S286 WeakPolarHBondContact O-CB 3.3Å
287	F	97.4	Very high	94.6	Very high	19 Å²	19	46.3 Å²	46.3	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146.8	-177.4	-62.7	-78.7	0	0	0	112	F129 Y138 K258 A259 I285 D289 L292 M293 W296	F129-F287 AromaticContact CE1-CD1 3.64Å; F129-F287 HydrophobicContact CE1-CD1 3.64Å; F129-F287 HydrophobicContact CE1-CE1 4.16Å; F129-F287 AromaticContact CZ-CD1 3.72Å; F129-F287 HydrophobicContact CZ-CD1 3.72Å; F129-F287 HydrophobicContact CZ-CE1 4.21Å; Y138-F287 PolarHBondContact OH-O 3.25Å; K258-F287 PolarHBondContact N-O 3.08Å; A259-F287 PolarHBondContact N-O 3.06Å; A259-F287 PolarHBondContact O-N 2.95Å; I285-F287 HydrophobicContact CD1-CE2 3.74Å; I285-F287 HydrophobicContact CD1-CZ 3.5Å; I285-F287 VanDerWaalsContact CD1-CZ 3.5Å; I285-F287 HydrophobicContact CG1-CE2 3.83Å; I285-F287 HydrophobicContact CG1-CZ 3.91Å; I285-F287 HydrophobicContact CG2-CE2 4.3Å; F287-D289 WeakPolarHBondContact CB-O 3.39Å; F287-D289 PolarHBondContact O-N 3.3Å; F287-L292 HydrophobicContact CB-CB 3.86Å; F287-L292 HydrophobicContact CB-CD1 4.49Å; F287-L292 HydrophobicContact CD1-CB 3.66Å; F287-L292 HydrophobicContact CD1-CD1 4.27Å; F287-L292 HydrophobicContact CE1-CB 4.4Å; F287-L292 HydrophobicContact CG-CB 3.82Å; F287-M293 HydrophobicContact CD2-CB 3.97Å; F287-M293 HydrophobicContact CD2-CG 4.47Å; F287-M293 HydrophobicContact CD2-SD 3.67Å; F287-M293 HydrophobicContact CE2-SD 3.81Å; F287-W296 HydrophobicContact CE2-CB 3.68Å; F287-W296 HydrophobicContact CE2-CD2 4.17Å; F287-W296 AromaticContact CE2-CG 3.78Å; F287-W296 HydrophobicContact CE2-CG 3.78Å; F287-W296 HydrophobicContact CZ-CB 3.6Å; F287-W296 AromaticContact CZ-CD1 3.88Å; F287-W296 HydrophobicContact CZ-CD2 4.45Å; F287-W296 AromaticContact CZ-CG 3.68Å; F287-W296 HydrophobicContact CZ-CG 3.68Å
288	P	96.1	Very high	94.6	Very high	34 Å²	34	50.6 Å²	50.6	22%	0.221	24%	0.243	C	C	.	.	S	Bend	trans	-73.6	-4.9	-178.8	33.1	-40	0	0	0	112.9	I103 F129 Y138 K258 L292	I103-P288 HydrophobicContact CD1-CB 4.41Å; F129-P288 HydrophobicContact CB-CG 3.71Å; F129-P288 HydrophobicContact CD1-CG 3.83Å; F129-P288 HydrophobicContact CD2-CG 3.96Å; F129-P288 HydrophobicContact CE1-CG 4.48Å; F129-P288 HydrophobicContact CG-CG 3.54Å; Y138-P288 HydrophobicContact CE2-CB 4.04Å; Y138-P288 VanDerWaalsContact OH-CA 3.25Å; Y138-P288 WeakPolarHBondContact OH-CA 3.13Å; K258-P288 VanDerWaalsContact CB-O 3.31Å; K258-P288 WeakPolarHBondContact CB-O 3.36Å; K258-P288 WeakPolarHBondContact CG-O 3.45Å; P288-L292 HydrophobicContact CG-CD1 4.06Å
289	D	93.6	Very high	94.4	Very high	64 Å²	64	51.3 Å²	51.3	34%	0.342	24%	0.241	S	C	.	.	S	Bend	trans	-148.2	162.8	171.5	72.1	64.1	0	0	0	111.6	F287 K291 L292	F287-D289 WeakPolarHBondContact CB-O 3.39Å; F287-D289 PolarHBondContact O-N 3.3Å; D289-K291 VanDerWaalsContact C-N 3.35Å; D289-K291 WeakPolarHBondContact OD1-CA 3.21Å; D289-K291 VanDerWaalsContact OD1-CB 3.26Å; D289-K291 WeakPolarHBondContact OD1-CB 3.37Å; D289-K291 PolarHBondContact OD1-N 3.48Å; D289-L292 PolarHBondContact OD1-N 2.74Å; D289-L292 WeakPolarHBondContact OD2-CD1 3.18Å
290	T	94.3	Very high	94	Very high	92 Å²	92	55.2 Å²	55.2	56%	0.564	26%	0.259	S	S	*	.	H	α-helix	trans	-77.4	-17.5	-178.5	52.9	0	0	0	0	114	A259 K294	A259-T290 HydrophobicContact CB-CG2 4.29Å; T290-K294 WeakPolarHBondContact O-CG 3.43Å; T290-K294 PolarHBondContact O-N 2.8Å
291	K	96	Very high	93.7	Very high	140 Å²	140	61.1 Å²	61.1	61%	0.609	29%	0.287	S	S	*	.	H	α-helix	trans	-72.8	-46.7	-179.7	-173.2	-166.2	177.8	-145.6	0	109.6	D289 M293 K294 E295	D289-K291 VanDerWaalsContact C-N 3.35Å; D289-K291 WeakPolarHBondContact OD1-CA 3.21Å; D289-K291 VanDerWaalsContact OD1-CB 3.26Å; D289-K291 WeakPolarHBondContact OD1-CB 3.37Å; D289-K291 PolarHBondContact OD1-N 3.48Å; K291-M293 PolarHBondContact O-N 3.36Å; K291-K294 WeakPolarHBondContact O-CB 3.23Å; K291-K294 PolarHBondContact O-N 3.34Å; K291-E295 WeakPolarHBondContact CE-OE1 3.18Å; K291-E295 IonicContact NZ-OE1 3.62Å; K291-E295 PolarHBondContact NZ-OE1 3.36Å; K291-E295 WeakPolarHBondContact O-CG 3.27Å; K291-E295 PolarHBondContact O-N 3.21Å
292	L	94.1	Very high	93.4	Very high	50 Å²	50	62.8 Å²	62.8	26%	0.262	30%	0.296	S	S	.	.	H	α-helix	trans	-57.8	-38.3	173.6	-69.5	174.5	0	0	0	111.8	F129 F287 P288 D289 E295 W296	F129-L292 HydrophobicContact CD1-CD1 3.84Å; F129-L292 HydrophobicContact CE1-CD1 4.01Å; F287-L292 HydrophobicContact CB-CB 3.86Å; F287-L292 HydrophobicContact CB-CD1 4.49Å; F287-L292 HydrophobicContact CD1-CB 3.66Å; F287-L292 HydrophobicContact CD1-CD1 4.27Å; F287-L292 HydrophobicContact CE1-CB 4.4Å; F287-L292 HydrophobicContact CG-CB 3.82Å; P288-L292 HydrophobicContact CG-CD1 4.06Å; D289-L292 PolarHBondContact OD1-N 2.74Å; D289-L292 WeakPolarHBondContact OD2-CD1 3.18Å; L292-E295 PolarHBondContact O-N 2.83Å; L292-W296 WeakPolarHBondContact O-CB 3.45Å; L292-W296 PolarHBondContact O-N 2.78Å
293	M	95	Very high	92.7	Very high	13 Å²	13	63.3 Å²	63.3	6%	0.064	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-42.4	174.2	-174.8	64.3	-168.9	0	0	112.4	A259 K261 I285 F287 K291 W296 Q297	A259-M293 HydrophobicContact CB-CB 3.67Å; A259-M293 HydrophobicContact CB-CG 4.07Å; K261-M293 HydrophobicContact CB-CE 3.49Å; K261-M293 VanDerWaalsContact CB-CE 3.49Å; K261-M293 HydrophobicContact CD-CE 3.98Å; K261-M293 HydrophobicContact CG-CE 4.37Å; I285-M293 HydrophobicContact CG2-SD 4.49Å; F287-M293 HydrophobicContact CD2-CB 3.97Å; F287-M293 HydrophobicContact CD2-CG 4.47Å; F287-M293 HydrophobicContact CD2-SD 3.67Å; F287-M293 HydrophobicContact CE2-SD 3.81Å; K291-M293 PolarHBondContact O-N 3.36Å; M293-W296 HydrophobicContact CE-CE3 3.65Å; M293-W296 HydrophobicContact CE-CZ3 3.57Å; M293-W296 PolarHBondContact O-N 2.79Å; M293-W296 HydrophobicContact SD-CE3 3.88Å; M293-W296 HydrophobicContact SD-CZ3 4.35Å; M293-Q297 HydrophobicContact CE-CG 3.94Å; M293-Q297 WeakPolarHBondContact O-CB 3.32Å; M293-Q297 VanDerWaalsContact O-CG 3.27Å; M293-Q297 WeakPolarHBondContact O-CG 3.49Å; M293-Q297 PolarHBondContact O-N 2.92Å
294	K	95.1	Very high	92.2	Very high	145 Å²	145	64.4 Å²	64.4	63%	0.63	32%	0.318	S	S	*	.	H	α-helix	trans	-67	-40.9	176.6	-72.5	177.5	-179.6	-177.1	0	111.9	T290 K291 W296 Q297 K298	T290-K294 WeakPolarHBondContact O-CG 3.43Å; T290-K294 PolarHBondContact O-N 2.8Å; K291-K294 WeakPolarHBondContact O-CB 3.23Å; K291-K294 PolarHBondContact O-N 3.34Å; K294-W296 VanDerWaalsContact C-N 3.35Å; K294-Q297 PolarHBondContact O-N 2.85Å; K294-K298 WeakPolarHBondContact O-CB 3.37Å; K294-K298 PolarHBondContact O-N 2.87Å
295	E	92.8	Very high	91.7	Very high	96 Å²	96	66.6 Å²	66.6	45%	0.449	34%	0.335	S	S	.	.	H	α-helix	trans	-60.8	-45.7	174.4	-71.5	173.1	-172.8	0	0	110.5	K291 L292 K298 F299	K291-E295 WeakPolarHBondContact CE-OE1 3.18Å; K291-E295 IonicContact NZ-OE1 3.62Å; K291-E295 PolarHBondContact NZ-OE1 3.36Å; K291-E295 WeakPolarHBondContact O-CG 3.27Å; K291-E295 PolarHBondContact O-N 3.21Å; L292-E295 PolarHBondContact O-N 2.83Å; E295-K298 PolarHBondContact O-N 3.29Å; E295-F299 WeakPolarHBondContact O-CB 3.44Å; E295-F299 PolarHBondContact O-N 2.73Å
296	W	90.9	Very high	91.4	Very high	44 Å²	44	70.3 Å²	70.3	17%	0.167	35%	0.35	C	S	.	.	H	α-helix	trans	-61.9	-43.9	174.2	177.4	82.3	0	0	0	112.4	T263 I285 F287 L292 M293 K294 F299 Q300	T263-W296 HydrophobicContact CG2-CH2 3.84Å; T263-W296 HydrophobicContact CG2-CZ2 4.34Å; I285-W296 HydrophobicContact CB-CZ2 4.46Å; I285-W296 HydrophobicContact CD1-CD2 3.94Å; I285-W296 VanDerWaalsContact CD1-CE2 3.45Å; I285-W296 HydrophobicContact CD1-CG 4.03Å; I285-W296 HydrophobicContact CD1-CZ2 3.99Å; I285-W296 HydrophobicContact CG2-CD2 4.2Å; I285-W296 HydrophobicContact CG2-CE3 4.09Å; I285-W296 HydrophobicContact CG2-CH2 3.68Å; I285-W296 HydrophobicContact CG2-CZ2 3.76Å; I285-W296 HydrophobicContact CG2-CZ3 3.85Å; F287-W296 HydrophobicContact CE2-CB 3.68Å; F287-W296 HydrophobicContact CE2-CD2 4.17Å; F287-W296 AromaticContact CE2-CG 3.78Å; F287-W296 HydrophobicContact CE2-CG 3.78Å; F287-W296 HydrophobicContact CZ-CB 3.6Å; F287-W296 AromaticContact CZ-CD1 3.88Å; F287-W296 HydrophobicContact CZ-CD2 4.45Å; F287-W296 AromaticContact CZ-CG 3.68Å; F287-W296 HydrophobicContact CZ-CG 3.68Å; L292-W296 WeakPolarHBondContact O-CB 3.45Å; L292-W296 PolarHBondContact O-N 2.78Å; M293-W296 HydrophobicContact CE-CE3 3.65Å; M293-W296 HydrophobicContact CE-CZ3 3.57Å; M293-W296 PolarHBondContact O-N 2.79Å; M293-W296 HydrophobicContact SD-CE3 3.88Å; M293-W296 HydrophobicContact SD-CZ3 4.35Å; K294-W296 VanDerWaalsContact C-N 3.35Å; W296-F299 WeakPolarHBondContact O-CB 3.09Å; W296-F299 PolarHBondContact O-N 3.49Å; W296-Q300 HydrophobicContact CD2-CG 3.91Å; W296-Q300 VanDerWaalsContact CE2-CG 3.5Å; W296-Q300 HydrophobicContact CE3-CG 4.25Å; W296-Q300 HydrophobicContact CH2-CG 3.87Å; W296-Q300 HydrophobicContact CZ2-CG 3.5Å; W296-Q300 VanDerWaalsContact CZ2-CG 3.5Å; W296-Q300 HydrophobicContact CZ3-CG 4.22Å; W296-Q300 WeakPolarHBondContact O-CG 3.34Å; W296-Q300 PolarHBondContact O-N 3.39Å
297	Q	92	Very high	91.1	Very high	70 Å²	70	71.7 Å²	71.7	33%	0.327	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-48.1	177.4	-77.6	173	-29.5	0	0	112.1	M293 K294 F299 Q300 E301	M293-Q297 HydrophobicContact CE-CG 3.94Å; M293-Q297 WeakPolarHBondContact O-CB 3.32Å; M293-Q297 VanDerWaalsContact O-CG 3.27Å; M293-Q297 WeakPolarHBondContact O-CG 3.49Å; M293-Q297 PolarHBondContact O-N 2.92Å; K294-Q297 PolarHBondContact O-N 2.85Å; Q297-F299 PolarHBondContact O-N 3.46Å; Q297-Q300 PolarHBondContact O-N 2.75Å; Q297-Q300 VanDerWaalsContact O-N 3.13Å; Q297-E301 WeakPolarHBondContact O-CG 3.45Å; Q297-E301 PolarHBondContact O-N 3.35Å
298	K	91.5	Very high	90.9	Very high	130 Å²	130	71 Å²	71	57%	0.565	35%	0.354	S	S	*	.	H	α-helix	trans	-57.5	-41.9	175.3	-176.7	-177.9	175.6	-170.5	0	111	K294 E295 E301 E302	K294-K298 WeakPolarHBondContact O-CB 3.37Å; K294-K298 PolarHBondContact O-N 2.87Å; E295-K298 PolarHBondContact O-N 3.29Å; K298-E301 PolarHBondContact O-N 3.49Å; K298-E302 WeakPolarHBondContact CE-OE1 3.16Å; K298-E302 WeakPolarHBondContact O-CG 3.17Å; K298-E302 PolarHBondContact O-N 2.69Å
299	F	86.6	Confident	90.7	Very high	77 Å²	77	74.6 Å²	74.6	34%	0.338	36%	0.363	S	S	.	.	H	α-helix	trans	-64.7	-39.2	176.9	-171.5	-100.7	0	0	0	113.1	E295 W296 Q297 E302 A303 M537	E295-F299 WeakPolarHBondContact O-CB 3.44Å; E295-F299 PolarHBondContact O-N 2.73Å; W296-F299 WeakPolarHBondContact O-CB 3.09Å; W296-F299 PolarHBondContact O-N 3.49Å; Q297-F299 PolarHBondContact O-N 3.46Å; F299-E302 PolarHBondContact O-N 3.1Å; F299-A303 WeakPolarHBondContact O-CB 3.12Å; F299-A303 PolarHBondContact O-N 2.96Å; F299-M537 HydrophobicContact CD1-CE 4.22Å; F299-M537 HydrophobicContact CD2-CE 3.62Å; F299-M537 HydrophobicContact CE1-CE 4.12Å; F299-M537 HydrophobicContact CE2-CE 3.51Å; F299-M537 HydrophobicContact CG-CE 4.03Å; F299-M537 HydrophobicContact CZ-CB 4Å; F299-M537 HydrophobicContact CZ-CE 3.81Å; F299-M537 WeakPolarHBondContact CZ-O 3.49Å; F299-M537 WeakPolarHBondContact O-CE 3.48Å
300	Q	86	Confident	90.7	Very high	84 Å²	84	75.4 Å²	75.4	39%	0.393	36%	0.364	S	S	.	.	H	α-helix	trans	-65.9	-38.3	173.8	-66.7	-52.8	-61.1	0	0	112.1	W296 Q297 A303 A304	W296-Q300 HydrophobicContact CD2-CG 3.91Å; W296-Q300 VanDerWaalsContact CE2-CG 3.5Å; W296-Q300 HydrophobicContact CE3-CG 4.25Å; W296-Q300 HydrophobicContact CH2-CG 3.87Å; W296-Q300 HydrophobicContact CZ2-CG 3.5Å; W296-Q300 VanDerWaalsContact CZ2-CG 3.5Å; W296-Q300 HydrophobicContact CZ3-CG 4.22Å; W296-Q300 WeakPolarHBondContact O-CG 3.34Å; W296-Q300 PolarHBondContact O-N 3.39Å; Q297-Q300 PolarHBondContact O-N 2.75Å; Q297-Q300 VanDerWaalsContact O-N 3.13Å; Q300-A303 PolarHBondContact O-N 2.88Å; Q300-A304 WeakPolarHBondContact O-CB 3.44Å; Q300-A304 PolarHBondContact O-N 2.8Å
301	E	87.8	Confident	90.7	Very high	138 Å²	138	71.9 Å²	71.9	65%	0.645	34%	0.341	S	S	*	.	H	α-helix	trans	-63.2	-45	175.2	-72.1	171.6	-173.9	0	0	111.4	Q297 K298 A304 A305	Q297-E301 WeakPolarHBondContact O-CG 3.45Å; Q297-E301 PolarHBondContact O-N 3.35Å; K298-E301 PolarHBondContact O-N 3.49Å; E301-A304 PolarHBondContact O-N 3.35Å; E301-A305 WeakPolarHBondContact O-CB 3.4Å; E301-A305 PolarHBondContact O-N 2.72Å
302	E	86.7	Confident	90.7	Very high	78 Å²	78	65.2 Å²	65.2	36%	0.364	31%	0.312	S	S	.	.	H	α-helix	trans	-62.3	-41.6	174.1	-72.3	176.9	-170.6	0	0	111.7	K298 F299 A305 R306 M537	K298-E302 WeakPolarHBondContact CE-OE1 3.16Å; K298-E302 WeakPolarHBondContact O-CG 3.17Å; K298-E302 PolarHBondContact O-N 2.69Å; F299-E302 PolarHBondContact O-N 3.1Å; E302-A305 PolarHBondContact O-N 2.93Å; E302-R306 WeakPolarHBondContact O-CG 3.33Å; E302-R306 PolarHBondContact O-N 3.03Å; E302-R306 VanDerWaalsContact O-N 3.1Å; E302-M537 HydrophobicContact CB-CE 3.87Å
303	A	82.9	Confident	90.7	Very high	14 Å²	14	70.7 Å²	70.7	12%	0.116	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-44	177.3	0	0	0	0	0	111.6	F299 Q300 A305 R306 D307 M537	F299-A303 WeakPolarHBondContact O-CB 3.12Å; F299-A303 PolarHBondContact O-N 2.96Å; Q300-A303 PolarHBondContact O-N 2.88Å; A303-A305 VanDerWaalsContact C-N 3.29Å; A303-A305 PolarHBondContact O-N 2.85Å; A303-R306 PolarHBondContact O-N 2.96Å; A303-D307 PolarHBondContact O-N 2.78Å; A303-M537 HydrophobicContact CB-CE 3.85Å; A303-M537 HydrophobicContact CB-CG 4.44Å
304	A	85	Confident	90.7	Very high	60 Å²	60	75.8 Å²	75.8	50%	0.496	35%	0.353	S	S	.	.	H	α-helix	trans	-66	-32	177.2	0	0	0	0	0	112.3	Q300 E301 R306	Q300-A304 WeakPolarHBondContact O-CB 3.44Å; Q300-A304 PolarHBondContact O-N 2.8Å; E301-A304 PolarHBondContact O-N 3.35Å; A304-R306 VanDerWaalsContact C-N 3.34Å
305	A	87.5	Confident	90.7	Very high	49 Å²	49	69.7 Å²	69.7	41%	0.405	33%	0.327	S	S	.	.	H	α-helix	trans	-69.7	-31.6	174.4	0	0	0	0	0	112.7	E301 E302 A303	E301-A305 WeakPolarHBondContact O-CB 3.4Å; E301-A305 PolarHBondContact O-N 2.72Å; E302-A305 PolarHBondContact O-N 2.93Å; A303-A305 VanDerWaalsContact C-N 3.29Å; A303-A305 PolarHBondContact O-N 2.85Å
306	R	90.3	Very high	90.9	Very high	80 Å²	80	70.4 Å²	70.4	30%	0.302	33%	0.33	S	S	.	.	H	α-helix	trans	-90.8	-8.4	-179.2	-67.1	-179.2	-176.3	-163.7	5	114.4	E302 A303 A304 H308 A536 E590	E302-R306 WeakPolarHBondContact O-CG 3.33Å; E302-R306 PolarHBondContact O-N 3.03Å; E302-R306 VanDerWaalsContact O-N 3.1Å; A303-R306 PolarHBondContact O-N 2.96Å; A304-R306 VanDerWaalsContact C-N 3.34Å; R306-H308 PolarHBondContact O-N 2.88Å; R306-H308 VanDerWaalsContact O-N 3.15Å; R306-A536 VanDerWaalsContact NH1-CB 3.29Å; R306-E590 WeakPolarHBondContact O-CG 3.5Å
307	D	90.8	Very high	91.2	Very high	29 Å²	29	68.3 Å²	68.3	16%	0.155	32%	0.322	C	S	.	.			trans	-47.5	118.4	-177.9	-173.3	-34.6	0	0	0	112	A303 R309 K310 M311	A303-D307 PolarHBondContact O-N 2.78Å; D307-R309 PolarHBondContact O-N 3.25Å; D307-R309 VanDerWaalsContact OD1-CB 3.22Å; D307-R309 WeakPolarHBondContact OD1-CB 3.48Å; D307-R309 WeakPolarHBondContact OD1-CG 3.26Å; D307-R309 IonicContact OD1-CZ 2.64Å; D307-R309 PolarHBondContact OD1-N 3.11Å; D307-R309 IonicContact OD1-NE 3.53Å; D307-R309 PolarHBondContact OD1-NE 2.93Å; D307-R309 IonicContact OD1-NH2 3.79Å; D307-R309 IonicContact OD2-CZ 3.17Å; D307-R309 VanDerWaalsContact OD2-CZ 3.27Å; D307-R309 IonicContact OD2-NE 3.01Å; D307-R309 PolarHBondContact OD2-NE 2.84Å; D307-R309 VanDerWaalsContact OD2-NE 3.13Å; D307-R309 IonicContact OD2-NH2 3.66Å; D307-R309 PolarHBondContact OD2-NH2 2.94Å; D307-K310 HydrophobicContact CB-CB 4.36Å; D307-K310 WeakPolarHBondContact O-CB 3.41Å; D307-K310 PolarHBondContact O-N 3Å; D307-M311 WeakPolarHBondContact O-CG 3.42Å; D307-M311 PolarHBondContact O-N 3.41Å
308	H	93.8	Very high	91.5	Very high	4 Å²	4	65.4 Å²	65.4	2%	0.019	31%	0.308	C	S	.	.	H	α-helix	trans	-58	-25.3	-176.4	68.6	-76.9	0	0	0	112.9	R306 G312 F318 G436 L437 A586 T589 E590	R306-H308 PolarHBondContact O-N 2.88Å; R306-H308 VanDerWaalsContact O-N 3.15Å; H308-G312 VanDerWaalsContact O-CA 3.3Å; H308-G312 WeakPolarHBondContact O-CA 3.49Å; H308-G312 PolarHBondContact O-N 2.6Å; H308-F318 AromaticContact CD2-CZ 3.84Å; H308-F318 VanDerWaalsContact O-CZ 3.31Å; H308-F318 WeakPolarHBondContact O-CZ 3.48Å; H308-G436 WeakPolarHBondContact NE2-CA 3.39Å; H308-L437 PolarHBondContact NE2-N 2.87Å; H308-A586 HydrophobicContact CB-CB 4.27Å; H308-T589 HydrophobicContact CB-CG2 4.07Å; H308-E590 HydrophobicContact CB-CG 4.07Å; H308-E590 IonicContact CE1-OE1 3.49Å; H308-E590 IonicContact CG-OE1 3.5Å; H308-E590 PolarHBondContact N-OE1 3.4Å; H308-E590 VanDerWaalsContact N-OE1 3.09Å; H308-E590 IonicContact ND1-OE1 3.61Å; H308-E590 PolarHBondContact ND1-OE1 3.42Å
309	R	93.3	Very high	91.8	Very high	110 Å²	110	61.7 Å²	61.7	42%	0.415	30%	0.296	S	S	.	.	H	α-helix	trans	-71.1	-36.7	177.2	-58.5	169.6	-70.6	-171.1	-1.9	111.5	D307 R313	D307-R309 PolarHBondContact O-N 3.25Å; D307-R309 VanDerWaalsContact OD1-CB 3.22Å; D307-R309 WeakPolarHBondContact OD1-CB 3.48Å; D307-R309 WeakPolarHBondContact OD1-CG 3.26Å; D307-R309 IonicContact OD1-CZ 2.64Å; D307-R309 PolarHBondContact OD1-N 3.11Å; D307-R309 IonicContact OD1-NE 3.53Å; D307-R309 PolarHBondContact OD1-NE 2.93Å; D307-R309 IonicContact OD1-NH2 3.79Å; D307-R309 IonicContact OD2-CZ 3.17Å; D307-R309 VanDerWaalsContact OD2-CZ 3.27Å; D307-R309 IonicContact OD2-NE 3.01Å; D307-R309 PolarHBondContact OD2-NE 2.84Å; D307-R309 VanDerWaalsContact OD2-NE 3.13Å; D307-R309 IonicContact OD2-NH2 3.66Å; D307-R309 PolarHBondContact OD2-NH2 2.94Å; R309-R313 PolarHBondContact O-NH1 2.72Å; R309-R313 VanDerWaalsContact O-NH1 3.11Å
310	K	93.5	Very high	92.2	Very high	81 Å²	81	61.4 Å²	61.4	35%	0.352	30%	0.295	S	S	.	.	H	α-helix	trans	-72.4	-53.7	174.9	178.9	-176.6	169.6	-174.3	0	109.4	D307 G312 R313 E314	D307-K310 HydrophobicContact CB-CB 4.36Å; D307-K310 WeakPolarHBondContact O-CB 3.41Å; D307-K310 PolarHBondContact O-N 3Å; K310-G312 VanDerWaalsContact C-N 3.32Å; K310-G312 PolarHBondContact O-N 3.15Å; K310-R313 PolarHBondContact O-N 3.31Å; K310-R313 VanDerWaalsContact O-N 3.11Å; K310-E314 WeakPolarHBondContact CE-OE1 3.38Å; K310-E314 IonicContact NZ-OE1 3.59Å; K310-E314 WeakPolarHBondContact O-CG 3.29Å; K310-E314 PolarHBondContact O-N 2.91Å
311	M	93.2	Very high	92.5	Very high	17 Å²	17	61.6 Å²	61.6	8%	0.084	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-39.1	-179	-60.5	-148.9	75.5	0	0	112.6	D307 R313 E314 Q315 T589 G593 G594	D307-M311 WeakPolarHBondContact O-CG 3.42Å; D307-M311 PolarHBondContact O-N 3.41Å; M311-R313 VanDerWaalsContact C-N 3.25Å; M311-R313 PolarHBondContact O-N 2.84Å; M311-E314 PolarHBondContact O-N 3Å; M311-Q315 WeakPolarHBondContact O-CB 3.36Å; M311-Q315 PolarHBondContact O-N 2.86Å; M311-T589 HydrophobicContact CB-CG2 3.61Å; M311-T589 HydrophobicContact CG-CG2 4.28Å; M311-T589 HydrophobicContact SD-CG2 4.11Å; M311-G593 VanDerWaalsContact CE-C 3.43Å; M311-G593 VanDerWaalsContact CE-O 3.29Å; M311-G593 WeakPolarHBondContact CE-O 3.27Å; M311-G594 VanDerWaalsContact CE-CA 3.43Å; M311-G594 PolarHBondContact SD-N 3.44Å; M311-G594 VanDerWaalsContact SD-N 3.4Å
312	G	95.9	Very high	92.7	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-32.4	176.7	0	0	0	0	0	112.9	H308 K310 E316 L317	H308-G312 VanDerWaalsContact O-CA 3.3Å; H308-G312 WeakPolarHBondContact O-CA 3.49Å; H308-G312 PolarHBondContact O-N 2.6Å; K310-G312 VanDerWaalsContact C-N 3.32Å; K310-G312 PolarHBondContact O-N 3.15Å; G312-E316 PolarHBondContact O-N 3.47Å; G312-L317 PolarHBondContact O-N 3.44Å
313	R	94.3	Very high	93.1	Very high	166 Å²	166	66.3 Å²	66.3	63%	0.626	32%	0.322	S	S	*	.	H	α-helix	trans	-75.1	-48.3	170.2	-70.5	-170.5	-59.3	-90.5	1.4	111.8	R309 K310 M311 Q315 E316	R309-R313 PolarHBondContact O-NH1 2.72Å; R309-R313 VanDerWaalsContact O-NH1 3.11Å; K310-R313 PolarHBondContact O-N 3.31Å; K310-R313 VanDerWaalsContact O-N 3.11Å; M311-R313 VanDerWaalsContact C-N 3.25Å; M311-R313 PolarHBondContact O-N 2.84Å; R313-Q315 PolarHBondContact O-N 2.86Å; R313-E316 PolarHBondContact O-N 2.81Å; R313-E316 VanDerWaalsContact O-N 3.12Å
314	E	94.3	Very high	93.6	Very high	119 Å²	119	67.6 Å²	67.6	56%	0.556	33%	0.33	S	S	*	.	H	α-helix	trans	-60.8	-31.8	-178.3	-70.8	174.2	168.4	0	0	112.9	K310 M311	K310-E314 WeakPolarHBondContact CE-OE1 3.38Å; K310-E314 IonicContact NZ-OE1 3.59Å; K310-E314 WeakPolarHBondContact O-CG 3.29Å; K310-E314 PolarHBondContact O-N 2.91Å; M311-E314 PolarHBondContact O-N 3Å
315	Q	96.2	Very high	93.8	Very high	18 Å²	18	67.7 Å²	67.7	8%	0.084	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.2	178.5	-64.7	-171.6	-5.6	0	0	113.8	M311 R313 L317 R333 G594	M311-Q315 WeakPolarHBondContact O-CB 3.36Å; M311-Q315 PolarHBondContact O-N 2.86Å; R313-Q315 PolarHBondContact O-N 2.86Å; Q315-L317 HydrophobicContact CB-CD1 4.24Å; Q315-L317 HydrophobicContact CB-CD2 3.96Å; Q315-L317 HydrophobicContact CB-CG 3.78Å; Q315-R333 PolarHBondContact O-NH1 3.38Å; Q315-R333 VanDerWaalsContact O-NH1 3.08Å; Q315-G594 PolarHBondContact NE2-O 2.59Å
316	E	96.5	Very high	94	Very high	110 Å²	110	65.7 Å²	65.7	51%	0.514	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	51.1	-176.3	-53.2	173.7	108.2	0	0	111.9	G312 R313 Y331 R333	G312-E316 PolarHBondContact O-N 3.47Å; R313-E316 PolarHBondContact O-N 2.81Å; R313-E316 VanDerWaalsContact O-N 3.12Å; E316-Y331 WeakPolarHBondContact O-CB 3.32Å; E316-R333 IonicContact OE2-CZ 3.96Å; E316-R333 IonicContact OE2-NH1 3.4Å; E316-R333 PolarHBondContact OE2-NH1 3.19Å; E316-R333 IonicContact OE2-NH2 3.99Å
317	L	98	Very high	94.2	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.005	30%	0.303	C	S	.	.			trans	-88.8	-47	179.7	-55.7	-177.3	0	0	0	111.5	G312 Q315 Y331 R333 G334 I337 W596 P602	G312-L317 PolarHBondContact O-N 3.44Å; Q315-L317 HydrophobicContact CB-CD1 4.24Å; Q315-L317 HydrophobicContact CB-CD2 3.96Å; Q315-L317 HydrophobicContact CB-CG 3.78Å; L317-Y331 PolarHBondContact O-N 3.4Å; L317-R333 HydrophobicContact CD2-CB 4.1Å; L317-G334 WeakPolarHBondContact O-CA 3.29Å; L317-I337 HydrophobicContact CD1-CD1 4.09Å; L317-I337 HydrophobicContact CD2-CD1 3.87Å; L317-W596 HydrophobicContact CD1-CZ2 3.91Å; L317-P602 HydrophobicContact CD2-CG 4.32Å
318	F	98	Very high	94.5	Very high	8 Å²	8	62.4 Å²	62.4	4%	0.035	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	160.9	-177.6	59.4	-92	0	0	0	112.1	H308 F320 F329 F330 L437	H308-F318 AromaticContact CD2-CZ 3.84Å; H308-F318 VanDerWaalsContact O-CZ 3.31Å; H308-F318 WeakPolarHBondContact O-CZ 3.48Å; F318-F320 HydrophobicContact CD2-CD2 4.24Å; F318-F320 AromaticContact CD2-CE2 3.86Å; F318-F320 HydrophobicContact CD2-CE2 3.86Å; F318-F320 HydrophobicContact CE2-CD2 4.42Å; F318-F320 AromaticContact CE2-CE2 3.9Å; F318-F320 HydrophobicContact CE2-CE2 3.9Å; F318-F329 CarbonylContact C-O 3.56Å; F318-F329 WeakPolarHBondContact CA-O 3.31Å; F318-F329 VanDerWaalsContact CB-O 3.32Å; F318-F329 WeakPolarHBondContact CB-O 3.37Å; F318-F330 HydrophobicContact CB-CD1 4.06Å; F318-F330 HydrophobicContact CB-CE1 4.28Å; F318-F330 HydrophobicContact CB-CG 4.45Å; F318-F330 HydrophobicContact CD1-CE1 4.43Å; F318-L437 HydrophobicContact CD1-CD1 3.53Å; F318-L437 HydrophobicContact CD1-CG 4.25Å; F318-L437 HydrophobicContact CD2-CD1 4.35Å; F318-L437 HydrophobicContact CD2-CD2 4.38Å; F318-L437 HydrophobicContact CD2-CG 4.18Å; F318-L437 HydrophobicContact CE1-CD1 3.32Å; F318-L437 HydrophobicContact CE1-CG 4Å; F318-L437 HydrophobicContact CE2-CD1 4.18Å; F318-L437 HydrophobicContact CE2-CG 3.93Å; F318-L437 HydrophobicContact CG-CD1 4.07Å; F318-L437 HydrophobicContact CG-CD2 4.47Å; F318-L437 HydrophobicContact CG-CG 4.34Å; F318-L437 HydrophobicContact CZ-CD1 3.69Å; F318-L437 HydrophobicContact CZ-CG 3.84Å
319	V	97	Very high	94.7	Very high	53 Å²	53	67 Å²	67	32%	0.321	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.1	173.9	66.4	0	0	0	0	110.4	F329 Y331	V319-F329 HydrophobicContact CG1-CB 3.81Å; V319-F329 HydrophobicContact CG1-CG 4.49Å; V319-F329 PolarHBondContact N-O 2.94Å; V319-F329 PolarHBondContact O-N 3.35Å; V319-Y331 HydrophobicContact CB-CE2 3.91Å; V319-Y331 HydrophobicContact CG1-CE2 3.76Å
320	F	94.6	Very high	95	Very high	70 Å²	70	63.8 Å²	63.8	31%	0.307	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	138.7	170	-75	-91.2	0	0	0	109	F318 S327 A328 G436 L437 V440	F318-F320 HydrophobicContact CD2-CD2 4.24Å; F318-F320 AromaticContact CD2-CE2 3.86Å; F318-F320 HydrophobicContact CD2-CE2 3.86Å; F318-F320 HydrophobicContact CE2-CD2 4.42Å; F318-F320 AromaticContact CE2-CE2 3.9Å; F318-F320 HydrophobicContact CE2-CE2 3.9Å; F320-S327 WeakPolarHBondContact CD1-O 3.48Å; F320-A328 HydrophobicContact CE1-CB 3.89Å; F320-A328 HydrophobicContact CE2-CB 4.15Å; F320-A328 HydrophobicContact CZ-CB 3.67Å; F320-G436 VanDerWaalsContact CZ-C 3.46Å; F320-G436 WeakPolarHBondContact CZ-O 3.36Å; F320-L437 HydrophobicContact CE2-CD2 4.32Å; F320-L437 HydrophobicContact CZ-CD2 3.98Å; F320-V440 HydrophobicContact CE1-CG1 4.11Å; F320-V440 HydrophobicContact CZ-CG1 4.03Å
321	H	93.8	Very high	95.2	Very high	89 Å²	89	65.4 Å²	65.4	41%	0.412	32%	0.316	S	S	.	.			trans	-120.2	141	179	-162.8	-85.8	0	0	0	110.3	L323 S324 F329	H321-L323 WeakPolarHBondContact ND1-CB 3.31Å; H321-L323 PolarHBondContact ND1-N 2.96Å; H321-L323 PolarHBondContact O-N 3.48Å; H321-S324 CarbonylContact O-C 3.56Å; H321-S324 VanDerWaalsContact O-C 3.23Å; H321-S324 PolarHBondContact O-N 3.33Å; H321-F329 HydrophobicContact CB-CD2 4.21Å; H321-F329 HydrophobicContact CB-CE2 3.58Å; H321-F329 HydrophobicContact CB-CZ 4.14Å
322	E	91.3	Very high	95.4	Very high	167 Å²	167	69.7 Å²	69.7	78%	0.78	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.6	-176.9	63.9	-176.7	174.1	0	0	113.8	S324 P325	E322-S324 VanDerWaalsContact C-N 3.25Å; E322-S324 PolarHBondContact O-N 3.35Å; E322-P325 WeakPolarHBondContact O-CD 3.32Å
323	L	94.6	Very high	95.5	Very high	147 Å²	147	72.1 Å²	72.1	77%	0.77	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-12.3	175.1	-60.3	178.4	0	0	0	113.9	H321	H321-L323 WeakPolarHBondContact ND1-CB 3.31Å; H321-L323 PolarHBondContact ND1-N 2.96Å; H321-L323 PolarHBondContact O-N 3.48Å
324	S	94	Very high	95.7	Very high	41 Å²	41	64.2 Å²	64.2	29%	0.287	33%	0.325	S	S	.	.	S	Bend	trans	-138	66.9	171.7	-163.7	0	0	0	0	109.5	H321 E322 G326 S327	H321-S324 CarbonylContact O-C 3.56Å; H321-S324 VanDerWaalsContact O-C 3.23Å; H321-S324 PolarHBondContact O-N 3.33Å; E322-S324 VanDerWaalsContact C-N 3.25Å; E322-S324 PolarHBondContact O-N 3.35Å; S324-G326 PolarHBondContact O-N 3.46Å; S324-S327 WeakPolarHBondContact O-CB 3.41Å; S324-S327 PolarHBondContact O-N 3.06Å; S324-S327 VanDerWaalsContact O-N 3.09Å; S324-S327 VanDerWaalsContact OG-CB 3.25Å; S324-S327 WeakPolarHBondContact OG-CB 3.5Å; S324-S327 PolarHBondContact OG-OG 2.71Å
325	P	88.9	Confident	95.9	Very high	62 Å²	62	61 Å²	61	40%	0.403	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	132.8	-170.5	26.4	-31.5	0	0	0	110.3	E322 S327 R441	E322-P325 WeakPolarHBondContact O-CD 3.32Å; P325-S327 VanDerWaalsContact C-N 3.27Å; P325-S327 PolarHBondContact O-N 3.3Å; P325-R441 VanDerWaalsContact O-CD 3.28Å; P325-R441 WeakPolarHBondContact O-CD 3.5Å
326	G	91.3	Very high	96	Very high	8 Å²	8	61.6 Å²	61.6	8%	0.082	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	8	-176.8	0	0	0	0	0	114.7	S324 V440 R441	S324-G326 PolarHBondContact O-N 3.46Å; G326-V440 CarbonylContact O-C 3.52Å; G326-V440 WeakPolarHBondContact O-CA 3.1Å; G326-V440 VanDerWaalsContact O-CB 3.23Å; G326-V440 WeakPolarHBondContact O-CB 3.16Å; G326-R441 PolarHBondContact O-N 2.65Å
327	S	95.7	Very high	96.1	Very high	21 Å²	21	56.4 Å²	56.4	15%	0.147	29%	0.291	C	S	.	.			trans	-115.9	122.9	174.2	-55.2	0	0	0	0	109.8	F320 S324 P325	F320-S327 WeakPolarHBondContact CD1-O 3.48Å; S324-S327 WeakPolarHBondContact O-CB 3.41Å; S324-S327 PolarHBondContact O-N 3.06Å; S324-S327 VanDerWaalsContact O-N 3.09Å; S324-S327 VanDerWaalsContact OG-CB 3.25Å; S324-S327 WeakPolarHBondContact OG-CB 3.5Å; S324-S327 PolarHBondContact OG-OG 2.71Å; P325-S327 VanDerWaalsContact C-N 3.27Å; P325-S327 PolarHBondContact O-N 3.3Å
328	A	97.2	Very high	96.1	Very high	18 Å²	18	57.2 Å²	57.2	15%	0.149	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	137.4	-180	0	0	0	0	0	111.6	F320 F330 L437	F320-A328 HydrophobicContact CE1-CB 3.89Å; F320-A328 HydrophobicContact CE2-CB 4.15Å; F320-A328 HydrophobicContact CZ-CB 3.67Å; A328-F330 HydrophobicContact CB-CD2 4.4Å; A328-F330 HydrophobicContact CB-CE2 3.96Å; A328-F330 HydrophobicContact CB-CZ 4.46Å; A328-L437 HydrophobicContact CB-CD2 3.43Å; A328-L437 VanDerWaalsContact CB-CD2 3.43Å
329	F	97.9	Very high	96.1	Very high	100 Å²	100	60.4 Å²	60.4	44%	0.439	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.8	166.5	-63.5	-104.4	0	0	0	107.4	F318 V319 H321	F318-F329 CarbonylContact C-O 3.56Å; F318-F329 WeakPolarHBondContact CA-O 3.31Å; F318-F329 VanDerWaalsContact CB-O 3.32Å; F318-F329 WeakPolarHBondContact CB-O 3.37Å; V319-F329 HydrophobicContact CG1-CB 3.81Å; V319-F329 HydrophobicContact CG1-CG 4.49Å; V319-F329 PolarHBondContact N-O 2.94Å; V319-F329 PolarHBondContact O-N 3.35Å; H321-F329 HydrophobicContact CB-CD2 4.21Å; H321-F329 HydrophobicContact CB-CE2 3.58Å; H321-F329 HydrophobicContact CB-CZ 4.14Å
330	F	98.3	Very high	96.2	Very high	44 Å²	44	58.7 Å²	58.7	19%	0.193	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.6	176.6	-74.4	-90	0	0	0	110.6	F318 A328 T335 Y338 L437 E582 I585	F318-F330 HydrophobicContact CB-CD1 4.06Å; F318-F330 HydrophobicContact CB-CE1 4.28Å; F318-F330 HydrophobicContact CB-CG 4.45Å; F318-F330 HydrophobicContact CD1-CE1 4.43Å; A328-F330 HydrophobicContact CB-CD2 4.4Å; A328-F330 HydrophobicContact CB-CE2 3.96Å; A328-F330 HydrophobicContact CB-CZ 4.46Å; F330-T335 WeakPolarHBondContact CB-OG1 3.48Å; F330-Y338 HydrophobicContact CE1-CD2 4.26Å; F330-Y338 HydrophobicContact CE2-CD2 4.15Å; F330-Y338 HydrophobicContact CE2-CE2 4.25Å; F330-Y338 HydrophobicContact CZ-CD2 4.01Å; F330-Y338 HydrophobicContact CZ-CE2 4.36Å; F330-L437 HydrophobicContact CE1-CD1 4.21Å; F330-L437 HydrophobicContact CE2-CD2 4.43Å; F330-L437 HydrophobicContact CZ-CD1 4.13Å; F330-L437 HydrophobicContact CZ-CD2 3.86Å; F330-E582 HydrophobicContact CE2-CG 4.06Å; F330-E582 HydrophobicContact CZ-CG 4.03Å; F330-I585 HydrophobicContact CE1-CD1 3.71Å; F330-I585 HydrophobicContact CZ-CD1 4.12Å
331	Y	98.2	Very high	96.3	Very high	114 Å²	114	55.3 Å²	55.3	45%	0.447	29%	0.286	S	S	.	.			trans	-78.9	166.7	169.5	-77.5	-59.6	0	0	0	110.4	E316 L317 V319 R333 G334 T335	E316-Y331 WeakPolarHBondContact O-CB 3.32Å; L317-Y331 PolarHBondContact O-N 3.4Å; V319-Y331 HydrophobicContact CB-CE2 3.91Å; V319-Y331 HydrophobicContact CG1-CE2 3.76Å; Y331-R333 PolarHBondContact O-N 3.44Å; Y331-G334 PolarHBondContact O-N 2.9Å; Y331-T335 PolarHBondContact O-N 2.99Å; Y331-T335 PolarHBondContact O-OG1 3.22Å
332	P	98.1	Very high	96.6	Very high	107 Å²	107	51.5 Å²	51.5	70%	0.695	27%	0.269	S	S	*	.	H	α-helix	trans	-48.1	-42.2	-175.2	-31.4	36.4	0	0	0	114.6	T335 Y336	P332-T335 PolarHBondContact O-N 3.38Å; P332-Y336 PolarHBondContact O-N 3.1Å
333	R	97.8	Very high	96.9	Very high	51 Å²	51	47.5 Å²	47.5	19%	0.192	25%	0.25	C	S	.	.	H	α-helix	trans	-74.6	-31.9	-178.7	-64.7	-158.4	-63.4	-116.9	174	113.3	Q315 E316 L317 Y331 I337 P602 R603	Q315-R333 PolarHBondContact O-NH1 3.38Å; Q315-R333 VanDerWaalsContact O-NH1 3.08Å; E316-R333 IonicContact OE2-CZ 3.96Å; E316-R333 IonicContact OE2-NH1 3.4Å; E316-R333 PolarHBondContact OE2-NH1 3.19Å; E316-R333 IonicContact OE2-NH2 3.99Å; L317-R333 HydrophobicContact CD2-CB 4.1Å; Y331-R333 PolarHBondContact O-N 3.44Å; R333-I337 WeakPolarHBondContact O-CG1 3.41Å; R333-I337 PolarHBondContact O-N 3.07Å; R333-P602 HydrophobicContact CB-CB 3.62Å; R333-P602 HydrophobicContact CB-CG 3.88Å; R333-P602 HydrophobicContact CG-CB 3.99Å; R333-P602 WeakPolarHBondContact O-CB 3.32Å; R333-R603 VanDerWaalsContact NH2-NH2 3.14Å
334	G	98.1	Very high	97	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-70	-39.3	168.5	0	0	0	0	0	112.5	L317 Y331 Y336 I337 Y338	L317-G334 WeakPolarHBondContact O-CA 3.29Å; Y331-G334 PolarHBondContact O-N 2.9Å; G334-Y336 VanDerWaalsContact C-N 3.32Å; G334-Y336 PolarHBondContact O-N 3.23Å; G334-I337 PolarHBondContact O-N 3.41Å; G334-Y338 WeakPolarHBondContact O-CB 3.4Å; G334-Y338 PolarHBondContact O-N 3.05Å
335	T	98.5	Very high	97.2	Very high	51 Å²	51	38.7 Å²	38.7	31%	0.313	20%	0.2	S	C	.	.	H	α-helix	trans	-63.4	-36.8	176	-58.8	0	0	0	0	111.9	F330 Y331 P332 Y338 N339	F330-T335 WeakPolarHBondContact CB-OG1 3.48Å; Y331-T335 PolarHBondContact O-N 2.99Å; Y331-T335 PolarHBondContact O-OG1 3.22Å; P332-T335 PolarHBondContact O-N 3.38Å; T335-Y338 WeakPolarHBondContact O-CB 3.47Å; T335-Y338 PolarHBondContact O-N 3.5Å; T335-N339 WeakPolarHBondContact O-CB 3.04Å; T335-N339 PolarHBondContact O-N 2.79Å; T335-N339 PolarHBondContact O-ND2 3.19Å
336	Y	98.3	Very high	97.6	Very high	32 Å²	32	39.8 Å²	39.8	13%	0.125	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-49.6	173	179.2	-87.2	0	0	0	111.9	P332 G334 Y338 N339 T340 S601 P602 Q604 E631	P332-Y336 PolarHBondContact O-N 3.1Å; G334-Y336 VanDerWaalsContact C-N 3.32Å; G334-Y336 PolarHBondContact O-N 3.23Å; Y336-Y338 VanDerWaalsContact C-N 3.32Å; Y336-Y338 PolarHBondContact O-N 2.87Å; Y336-N339 PolarHBondContact O-N 3.47Å; Y336-T340 VanDerWaalsContact O-CB 3.27Å; Y336-T340 WeakPolarHBondContact O-CB 3.46Å; Y336-T340 PolarHBondContact O-N 2.95Å; Y336-T340 PolarHBondContact O-OG1 2.84Å; Y336-S601 WeakPolarHBondContact CE1-O 3.46Å; Y336-P602 HydrophobicContact CD1-CB 3.87Å; Y336-P602 HydrophobicContact CG-CB 4.16Å; Y336-Q604 VanDerWaalsContact OH-CD 3.3Å; Y336-Q604 PolarHBondContact OH-NE2 3.4Å; Y336-Q604 PolarHBondContact OH-OE1 3.12Å; Y336-E631 HydrophobicContact CD2-CG 3.55Å; Y336-E631 WeakPolarHBondContact CD2-OE1 3.45Å; Y336-E631 HydrophobicContact CE1-CG 4.34Å; Y336-E631 HydrophobicContact CE2-CG 3.23Å; Y336-E631 VanDerWaalsContact CE2-OE1 3.25Å; Y336-E631 WeakPolarHBondContact CE2-OE1 3.4Å; Y336-E631 HydrophobicContact CG-CG 4.21Å
337	I	98.3	Very high	97.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-47.3	177.3	-63	169.1	0	0	0	109.8	L317 R333 G334 N339 T340 L341 I585 W596 L600 P602	L317-I337 HydrophobicContact CD1-CD1 4.09Å; L317-I337 HydrophobicContact CD2-CD1 3.87Å; R333-I337 WeakPolarHBondContact O-CG1 3.41Å; R333-I337 PolarHBondContact O-N 3.07Å; G334-I337 PolarHBondContact O-N 3.41Å; I337-N339 PolarHBondContact O-N 3.32Å; I337-T340 PolarHBondContact O-N 3.38Å; I337-L341 HydrophobicContact CG2-CD1 4.26Å; I337-L341 WeakPolarHBondContact O-CG 3.32Å; I337-L341 PolarHBondContact O-N 2.75Å; I337-I585 HydrophobicContact CG2-CD1 4.33Å; I337-I585 HydrophobicContact CG2-CG1 3.97Å; I337-W596 HydrophobicContact CD1-CD2 4.08Å; I337-W596 HydrophobicContact CD1-CE3 4.43Å; I337-W596 HydrophobicContact CD1-CH2 3.97Å; I337-W596 HydrophobicContact CD1-CZ2 3.59Å; I337-W596 HydrophobicContact CD1-CZ3 4.37Å; I337-W596 HydrophobicContact CG2-CH2 4.28Å; I337-W596 HydrophobicContact CG2-CZ3 4.17Å; I337-L600 HydrophobicContact CB-CD1 4.46Å; I337-L600 HydrophobicContact CG2-CD1 3.8Å; I337-L600 HydrophobicContact CG2-CG 4.11Å; I337-P602 HydrophobicContact CD1-CG 4.02Å; I337-P602 HydrophobicContact CG1-CB 4.47Å; I337-P602 HydrophobicContact CG1-CG 4.11Å
338	Y	98.6	Very high	98	Very high	19 Å²	19	42.4 Å²	42.4	8%	0.075	20%	0.203	C	C	.	.	H	α-helix	trans	-55.5	-54.2	-180	-166.3	-71.8	0	0	0	112	F330 G334 T335 Y336 T340 L341 V342 Q444 I581 I585	F330-Y338 HydrophobicContact CE1-CD2 4.26Å; F330-Y338 HydrophobicContact CE2-CD2 4.15Å; F330-Y338 HydrophobicContact CE2-CE2 4.25Å; F330-Y338 HydrophobicContact CZ-CD2 4.01Å; F330-Y338 HydrophobicContact CZ-CE2 4.36Å; G334-Y338 WeakPolarHBondContact O-CB 3.4Å; G334-Y338 PolarHBondContact O-N 3.05Å; T335-Y338 WeakPolarHBondContact O-CB 3.47Å; T335-Y338 PolarHBondContact O-N 3.5Å; Y336-Y338 VanDerWaalsContact C-N 3.32Å; Y336-Y338 PolarHBondContact O-N 2.87Å; Y338-T340 VanDerWaalsContact C-N 3.35Å; Y338-T340 PolarHBondContact O-N 3.03Å; Y338-L341 PolarHBondContact O-N 3.28Å; Y338-V342 HydrophobicContact CD1-CG2 4.13Å; Y338-V342 HydrophobicContact CE1-CG2 4.01Å; Y338-V342 WeakPolarHBondContact O-CG2 3.42Å; Y338-V342 PolarHBondContact O-N 3.32Å; Y338-Q444 VanDerWaalsContact OH-CB 3.26Å; Y338-Q444 WeakPolarHBondContact OH-CB 3.43Å; Y338-Q444 VanDerWaalsContact OH-CD 3.28Å; Y338-Q444 WeakPolarHBondContact OH-CG 3.11Å; Y338-Q444 PolarHBondContact OH-OE1 2.91Å; Y338-I581 HydrophobicContact CD1-CG2 4.01Å; Y338-I581 HydrophobicContact CD2-CB 4.18Å; Y338-I581 HydrophobicContact CD2-CG2 3.46Å; Y338-I581 VanDerWaalsContact CD2-CG2 3.46Å; Y338-I581 HydrophobicContact CE1-CB 4.3Å; Y338-I581 HydrophobicContact CE1-CG1 4.35Å; Y338-I581 HydrophobicContact CE1-CG2 4.01Å; Y338-I581 HydrophobicContact CE2-CB 3.63Å; Y338-I581 HydrophobicContact CE2-CG1 4.48Å; Y338-I581 HydrophobicContact CE2-CG2 3.45Å; Y338-I581 VanDerWaalsContact CE2-CG2 3.45Å; Y338-I581 HydrophobicContact CG-CG2 3.73Å; Y338-I585 HydrophobicContact CD2-CD1 3.76Å; Y338-I585 HydrophobicContact CG-CD1 4.3Å
339	N	98.2	Very high	98	Very high	74 Å²	74	41.9 Å²	41.9	40%	0.396	20%	0.197	S	C	.	.	H	α-helix	trans	-62.6	-45.4	179.8	-70.6	-18.9	0	0	0	110.2	T335 Y336 I337 L341 V342 E343	T335-N339 WeakPolarHBondContact O-CB 3.04Å; T335-N339 PolarHBondContact O-N 2.79Å; T335-N339 PolarHBondContact O-ND2 3.19Å; Y336-N339 PolarHBondContact O-N 3.47Å; I337-N339 PolarHBondContact O-N 3.32Å; N339-L341 VanDerWaalsContact C-N 3.26Å; N339-L341 PolarHBondContact O-N 3.44Å; N339-V342 CarbonylContact O-C 3.54Å; N339-V342 WeakPolarHBondContact O-CA 3.4Å; N339-V342 WeakPolarHBondContact O-CB 3.47Å; N339-V342 PolarHBondContact O-N 3.06Å; N339-E343 WeakPolarHBondContact CB-OE2 3.43Å; N339-E343 PolarHBondContact O-N 2.89Å
340	T	98.2	Very high	97.9	Very high	17 Å²	17	47.4 Å²	47.4	10%	0.104	22%	0.215	C	C	.	.	H	α-helix	trans	-55.5	-39.4	178.7	-60.7	0	0	0	0	112.8	Y336 I337 Y338 F344 W599 L600	Y336-T340 VanDerWaalsContact O-CB 3.27Å; Y336-T340 WeakPolarHBondContact O-CB 3.46Å; Y336-T340 PolarHBondContact O-N 2.95Å; Y336-T340 PolarHBondContact O-OG1 2.84Å; I337-T340 PolarHBondContact O-N 3.38Å; Y338-T340 VanDerWaalsContact C-N 3.35Å; Y338-T340 PolarHBondContact O-N 3.03Å; T340-F344 VanDerWaalsContact O-CB 3.26Å; T340-F344 WeakPolarHBondContact O-CB 3.38Å; T340-F344 PolarHBondContact O-N 3.04Å; T340-W599 HydrophobicContact CG2-CE3 3.8Å; T340-W599 HydrophobicContact CG2-CZ3 3.91Å; T340-W599 WeakPolarHBondContact CG2-O 3.38Å; T340-L600 HydrophobicContact CG2-CD1 3.81Å
341	L	98.3	Very high	97.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.6	-42.5	173.4	-69.1	171.1	0	0	0	112.3	I337 Y338 N339 F344 L345 F475 L578 I581 M584 I585 L588 L600	I337-L341 HydrophobicContact CG2-CD1 4.26Å; I337-L341 WeakPolarHBondContact O-CG 3.32Å; I337-L341 PolarHBondContact O-N 2.75Å; Y338-L341 PolarHBondContact O-N 3.28Å; N339-L341 VanDerWaalsContact C-N 3.26Å; N339-L341 PolarHBondContact O-N 3.44Å; L341-F344 WeakPolarHBondContact O-CB 3.37Å; L341-F344 PolarHBondContact O-N 3.13Å; L341-L345 PolarHBondContact O-N 2.64Å; L341-L345 VanDerWaalsContact O-N 3.1Å; L341-F475 HydrophobicContact CD2-CE1 3.99Å; L341-F475 HydrophobicContact CD2-CZ 3.65Å; L341-L578 HydrophobicContact CB-CD1 4.28Å; L341-I581 HydrophobicContact CD1-CG2 4.13Å; L341-M584 HydrophobicContact CD1-CG 4.37Å; L341-I585 HydrophobicContact CD1-CD1 4.47Å; L341-I585 HydrophobicContact CD1-CG1 3.72Å; L341-L588 HydrophobicContact CD1-CD1 4.14Å; L341-L588 HydrophobicContact CD2-CD1 3.85Å; L341-L600 HydrophobicContact CD2-CD1 4Å; L341-L600 HydrophobicContact CD2-CD2 4.4Å; L341-L600 HydrophobicContact CG-CD1 3.99Å
342	V	98.3	Very high	97.8	Very high	8 Å²	8	50 Å²	50	5%	0.048	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-46.4	175.9	173.3	0	0	0	0	110.9	Y338 N339 F344 L345 R346 F422 I581	Y338-V342 HydrophobicContact CD1-CG2 4.13Å; Y338-V342 HydrophobicContact CE1-CG2 4.01Å; Y338-V342 WeakPolarHBondContact O-CG2 3.42Å; Y338-V342 PolarHBondContact O-N 3.32Å; N339-V342 CarbonylContact O-C 3.54Å; N339-V342 WeakPolarHBondContact O-CA 3.4Å; N339-V342 WeakPolarHBondContact O-CB 3.47Å; N339-V342 PolarHBondContact O-N 3.06Å; V342-F344 VanDerWaalsContact C-N 3.33Å; V342-F344 PolarHBondContact O-N 2.72Å; V342-L345 PolarHBondContact O-N 3.49Å; V342-R346 HydrophobicContact CG1-CG 4.41Å; V342-R346 VanDerWaalsContact CG1-CZ 3.48Å; V342-R346 WeakPolarHBondContact O-CB 3.49Å; V342-R346 WeakPolarHBondContact O-CG 3.48Å; V342-R346 PolarHBondContact O-N 3.34Å; V342-F422 HydrophobicContact CG1-CD2 4.03Å; V342-F422 HydrophobicContact CG1-CE1 4.45Å; V342-F422 HydrophobicContact CG1-CE2 3.82Å; V342-F422 HydrophobicContact CG1-CG 4.44Å; V342-F422 HydrophobicContact CG1-CZ 4.05Å; V342-F422 HydrophobicContact CG2-CD1 4.28Å; V342-F422 HydrophobicContact CG2-CE1 4.17Å; V342-I581 HydrophobicContact CG2-CD1 4.41Å; V342-I581 HydrophobicContact CG2-CG1 4.38Å
343	E	97.4	Very high	97.8	Very high	83 Å²	83	46.8 Å²	46.8	39%	0.388	21%	0.214	S	C	.	.	H	α-helix	trans	-61.4	-40.3	175.6	-88.2	83.8	-120.2	0	0	112.2	N339 L345 R346 K347	N339-E343 WeakPolarHBondContact CB-OE2 3.43Å; N339-E343 PolarHBondContact O-N 2.89Å; E343-L345 PolarHBondContact O-N 2.98Å; E343-R346 PolarHBondContact O-N 2.99Å; E343-R346 IonicContact OE1-NH1 3.65Å; E343-R346 PolarHBondContact OE1-NH1 3.2Å; E343-K347 WeakPolarHBondContact O-CG 3.38Å; E343-K347 PolarHBondContact O-N 3.15Å
344	F	97.9	Very high	97.8	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.013	21%	0.209	C	C	.	.	H	α-helix	trans	-57.3	-48.5	175.4	168.2	-114.9	0	0	0	111.4	T340 L341 V342 K347 Q348 F470 V471 T474 F475 W599 Y699	T340-F344 VanDerWaalsContact O-CB 3.26Å; T340-F344 WeakPolarHBondContact O-CB 3.38Å; T340-F344 PolarHBondContact O-N 3.04Å; L341-F344 WeakPolarHBondContact O-CB 3.37Å; L341-F344 PolarHBondContact O-N 3.13Å; V342-F344 VanDerWaalsContact C-N 3.33Å; V342-F344 PolarHBondContact O-N 2.72Å; F344-K347 PolarHBondContact O-N 3.09Å; F344-Q348 PolarHBondContact O-N 3.41Å; F344-F470 AromaticContact CE2-CE1 3.73Å; F344-F470 HydrophobicContact CE2-CE1 3.73Å; F344-F470 HydrophobicContact CE2-CZ 4.32Å; F344-F470 HydrophobicContact CZ-CD1 4.34Å; F344-F470 AromaticContact CZ-CE1 3.72Å; F344-F470 HydrophobicContact CZ-CE1 3.72Å; F344-V471 HydrophobicContact CE1-CB 4.22Å; F344-V471 HydrophobicContact CE1-CG1 3.88Å; F344-V471 HydrophobicContact CE1-CG2 3.74Å; F344-V471 HydrophobicContact CZ-CB 4.5Å; F344-V471 HydrophobicContact CZ-CG2 4.02Å; F344-T474 HydrophobicContact CE2-CG2 4.2Å; F344-T474 HydrophobicContact CZ-CG2 4.05Å; F344-F475 HydrophobicContact CD1-CZ 4.47Å; F344-F475 HydrophobicContact CE1-CZ 4.23Å; F344-W599 HydrophobicContact CB-CZ3 4.22Å; F344-W599 HydrophobicContact CD1-CH2 4.49Å; F344-W599 HydrophobicContact CG-CH2 4.32Å; F344-W599 HydrophobicContact CG-CZ3 4.33Å; F344-Y699 AromaticContact CD2-CD1 4Å; F344-Y699 HydrophobicContact CD2-CD1 4Å; F344-Y699 AromaticContact CD2-CE1 3.47Å; F344-Y699 HydrophobicContact CD2-CE1 3.47Å; F344-Y699 VanDerWaalsContact CD2-CE1 3.47Å; F344-Y699 HydrophobicContact CD2-CE2 4.11Å; F344-Y699 AromaticContact CD2-CZ 3.53Å; F344-Y699 HydrophobicContact CE2-CD1 4.15Å; F344-Y699 HydrophobicContact CE2-CD2 4.07Å; F344-Y699 AromaticContact CE2-CE1 3.93Å; F344-Y699 HydrophobicContact CE2-CE1 3.93Å; F344-Y699 AromaticContact CE2-CE2 3.83Å; F344-Y699 HydrophobicContact CE2-CE2 3.83Å; F344-Y699 HydrophobicContact CE2-CG 4.23Å; F344-Y699 AromaticContact CE2-CZ 3.76Å
345	L	97.9	Very high	97.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.9	-41.3	175.7	-67.9	-177	0	0	0	112.6	L341 V342 E343 K347 Q348 Y349 F422 D446 F467 V471 L578	L341-L345 PolarHBondContact O-N 2.64Å; L341-L345 VanDerWaalsContact O-N 3.1Å; V342-L345 PolarHBondContact O-N 3.49Å; E343-L345 PolarHBondContact O-N 2.98Å; L345-K347 VanDerWaalsContact C-N 3.25Å; L345-K347 PolarHBondContact O-N 2.62Å; L345-Q348 CarbonylContact O-C 3.52Å; L345-Q348 WeakPolarHBondContact O-CA 3.46Å; L345-Q348 WeakPolarHBondContact O-CB 3.49Å; L345-Q348 PolarHBondContact O-N 2.97Å; L345-Y349 HydrophobicContact CB-CE1 4.27Å; L345-Y349 WeakPolarHBondContact O-CD1 2.73Å; L345-Y349 PolarHBondContact O-N 3.31Å; L345-F422 HydrophobicContact CB-CZ 4.09Å; L345-F422 HydrophobicContact CD1-CE1 3.95Å; L345-F422 HydrophobicContact CD1-CZ 3.82Å; L345-D446 HydrophobicContact CD1-CB 3.34Å; L345-F467 HydrophobicContact CD2-CE2 4.14Å; L345-F467 HydrophobicContact CD2-CZ 3.8Å; L345-V471 HydrophobicContact CD2-CG2 4.09Å; L345-L578 HydrophobicContact CD1-CD1 3.51Å; L345-L578 HydrophobicContact CD1-CG 3.82Å; L345-L578 HydrophobicContact CD2-CD1 4.32Å; L345-L578 HydrophobicContact CD2-CG 4.23Å; L345-L578 HydrophobicContact CG-CD1 3.93Å; L345-L578 HydrophobicContact CG-CG 4.33Å
346	R	97.5	Very high	97.7	Very high	85 Å²	85	53.2 Å²	53.2	32%	0.321	24%	0.24	S	C	.	.	H	α-helix	trans	-58	-36.5	177	-78	174.8	169.8	151	1.1	112.7	V342 E343 Q348 Y349 R350 E356 F422	V342-R346 HydrophobicContact CG1-CG 4.41Å; V342-R346 VanDerWaalsContact CG1-CZ 3.48Å; V342-R346 WeakPolarHBondContact O-CB 3.49Å; V342-R346 WeakPolarHBondContact O-CG 3.48Å; V342-R346 PolarHBondContact O-N 3.34Å; E343-R346 PolarHBondContact O-N 2.99Å; E343-R346 IonicContact OE1-NH1 3.65Å; E343-R346 PolarHBondContact OE1-NH1 3.2Å; R346-Q348 VanDerWaalsContact C-N 3.29Å; R346-Q348 PolarHBondContact O-N 3.49Å; R346-Y349 WeakPolarHBondContact O-CB 3.39Å; R346-Y349 PolarHBondContact O-N 3.36Å; R346-R350 PolarHBondContact O-N 2.83Å; R346-R350 VanDerWaalsContact O-N 3.13Å; R346-E356 IonicContact CZ-OE1 3.27Å; R346-E356 IonicContact CZ-OE2 3.9Å; R346-E356 IonicContact NE-OE1 3.69Å; R346-E356 PolarHBondContact NE-OE1 2.93Å; R346-E356 VanDerWaalsContact NE-OE1 3.14Å; R346-E356 IonicContact NE-OE2 2.87Å; R346-E356 PolarHBondContact NE-OE2 3.36Å; R346-E356 IonicContact NH2-OE1 3.8Å; R346-E356 PolarHBondContact NH2-OE1 3.12Å; R346-E356 IonicContact NH2-OE2 3.36Å; R346-F422 HydrophobicContact CG-CE2 4.3Å
347	K	97.1	Very high	97.7	Very high	81 Å²	81	52.5 Å²	52.5	35%	0.352	24%	0.239	S	C	.	.	H	α-helix	trans	-60.5	-40.1	172.2	-73.9	178.2	177.7	-173.3	0	111.2	E343 F344 L345 K351 D697 Y699	E343-K347 WeakPolarHBondContact O-CG 3.38Å; E343-K347 PolarHBondContact O-N 3.15Å; F344-K347 PolarHBondContact O-N 3.09Å; L345-K347 VanDerWaalsContact C-N 3.25Å; L345-K347 PolarHBondContact O-N 2.62Å; K347-K351 WeakPolarHBondContact O-CG 3.25Å; K347-K351 PolarHBondContact O-N 2.67Å; K347-D697 IonicContact NZ-OD1 3.9Å; K347-Y699 WeakPolarHBondContact CD-OH 3.47Å
348	Q	97.3	Very high	97.7	Very high	3 Å²	3	60 Å²	60	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-74.7	-34.8	176.9	-58.2	-55.5	-33.9	0	0	112.6	F344 L345 R346 R350 K351 R352 F467 F470	F344-Q348 PolarHBondContact O-N 3.41Å; L345-Q348 CarbonylContact O-C 3.52Å; L345-Q348 WeakPolarHBondContact O-CA 3.46Å; L345-Q348 WeakPolarHBondContact O-CB 3.49Å; L345-Q348 PolarHBondContact O-N 2.97Å; R346-Q348 VanDerWaalsContact C-N 3.29Å; R346-Q348 PolarHBondContact O-N 3.49Å; Q348-R350 VanDerWaalsContact C-N 3.33Å; Q348-R350 PolarHBondContact O-N 3.21Å; Q348-K351 PolarHBondContact O-N 2.91Å; Q348-R352 WeakPolarHBondContact O-CB 3.32Å; Q348-R352 PolarHBondContact O-N 3.15Å; Q348-F467 HydrophobicContact CB-CD2 4.09Å; Q348-F467 HydrophobicContact CB-CE2 3.31Å; Q348-F467 HydrophobicContact CB-CZ 3.67Å; Q348-F467 HydrophobicContact CG-CD2 4.43Å; Q348-F467 HydrophobicContact CG-CE2 3.7Å; Q348-F467 HydrophobicContact CG-CZ 4.44Å; Q348-F470 HydrophobicContact CG-CD1 4.1Å; Q348-F470 HydrophobicContact CG-CE1 3.82Å
349	Y	98	Very high	97.7	Very high	7 Å²	7	59.5 Å²	59.5	3%	0.027	28%	0.276	C	S	.	.	H	α-helix	trans	-56.9	-45.9	174.4	-73.5	0	0	0	0	111.8	L345 R346 K351 R352 G353 Y354 A420 F422 D446 F467	L345-Y349 HydrophobicContact CB-CE1 4.27Å; L345-Y349 WeakPolarHBondContact O-CD1 2.73Å; L345-Y349 PolarHBondContact O-N 3.31Å; R346-Y349 WeakPolarHBondContact O-CB 3.39Å; R346-Y349 PolarHBondContact O-N 3.36Å; Y349-K351 PolarHBondContact O-N 2.72Å; Y349-R352 CarbonylContact O-C 3.53Å; Y349-R352 PolarHBondContact O-N 3.39Å; Y349-G353 PolarHBondContact O-N 3.01Å; Y349-Y354 AromaticContact CD1-CD2 3.91Å; Y349-Y354 HydrophobicContact CD1-CD2 3.91Å; Y349-Y354 HydrophobicContact CD1-CE2 4.41Å; Y349-Y354 HydrophobicContact CD1-CG 4.02Å; Y349-Y354 HydrophobicContact CG-CD2 4.38Å; Y349-Y354 HydrophobicContact CG-CG 4.21Å; Y349-Y354 PolarHBondContact O-N 3.31Å; Y349-A420 HydrophobicContact CD2-CB 3.89Å; Y349-A420 HydrophobicContact CE2-CB 3.52Å; Y349-F422 HydrophobicContact CD2-CE2 4.41Å; Y349-F422 AromaticContact CE2-CE2 3.55Å; Y349-F422 HydrophobicContact CE2-CE2 3.55Å; Y349-F422 AromaticContact CE2-CZ 3.81Å; Y349-F422 HydrophobicContact CE2-CZ 3.81Å; Y349-D446 PolarHBondContact OH-O 2.86Å; Y349-D446 VanDerWaalsContact OH-O 3.13Å; Y349-F467 HydrophobicContact CD1-CE1 4.03Å; Y349-F467 HydrophobicContact CD1-CZ 4.06Å; Y349-F467 AromaticContact CE1-CE1 3.75Å; Y349-F467 HydrophobicContact CE1-CE1 3.75Å; Y349-F467 AromaticContact CE1-CZ 3.88Å; Y349-F467 HydrophobicContact CE1-CZ 3.88Å
350	R	96.5	Very high	97.6	Very high	217 Å²	217	59.7 Å²	59.7	82%	0.819	28%	0.282	S	S	*	.	H	α-helix	trans	-60.6	-44.4	175.7	-70.1	-179.8	-178.8	174.2	1.5	112.4	R346 Q348 R352	R346-R350 PolarHBondContact O-N 2.83Å; R346-R350 VanDerWaalsContact O-N 3.13Å; Q348-R350 VanDerWaalsContact C-N 3.33Å; Q348-R350 PolarHBondContact O-N 3.21Å; R350-R352 VanDerWaalsContact C-N 3.3Å; R350-R352 PolarHBondContact O-N 3.13Å
351	K	96.8	Very high	97.5	Very high	158 Å²	158	62.2 Å²	62.2	69%	0.687	29%	0.294	S	S	*	.	H	α-helix	trans	-65.9	-32.9	178.1	-68.3	178.2	179.4	-176	0	112.5	K347 Q348 Y349	K347-K351 WeakPolarHBondContact O-CG 3.25Å; K347-K351 PolarHBondContact O-N 2.67Å; Q348-K351 PolarHBondContact O-N 2.91Å; Y349-K351 PolarHBondContact O-N 2.72Å
352	R	97.6	Very high	97.4	Very high	53 Å²	53	66 Å²	66	20%	0.2	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	16.8	-175.2	-67.4	174.3	169.7	64.9	-0	113.4	Q348 Y349 R350 Y354 R418 D466	Q348-R352 WeakPolarHBondContact O-CB 3.32Å; Q348-R352 PolarHBondContact O-N 3.15Å; Y349-R352 CarbonylContact O-C 3.53Å; Y349-R352 PolarHBondContact O-N 3.39Å; R350-R352 VanDerWaalsContact C-N 3.3Å; R350-R352 PolarHBondContact O-N 3.13Å; R352-Y354 VanDerWaalsContact C-N 3.29Å; R352-Y354 HydrophobicContact CB-CD2 3.75Å; R352-Y354 HydrophobicContact CB-CE2 3.73Å; R352-Y354 PolarHBondContact O-N 3.42Å; R352-R418 PolarHBondContact O-NH1 2.96Å; R352-D466 IonicContact CZ-OD2 2.76Å; R352-D466 IonicContact NE-OD2 3.94Å; R352-D466 IonicContact NH2-OD2 3.49Å; R352-D466 PolarHBondContact NH2-OD2 3.34Å
353	G	97.3	Very high	97.4	Very high	41 Å²	41	67 Å²	67	42%	0.423	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	17.3	171.2	0	0	0	0	0	116.3	Y349	Y349-G353 PolarHBondContact O-N 3.01Å
354	Y	98.2	Very high	97.3	Very high	20 Å²	20	65.2 Å²	65.2	8%	0.078	31%	0.31	C	S	.	.			trans	-70	146.5	175.4	-74.5	-90.7	0	0	0	111.9	Y349 R352 R418 A420 A448 H450 F467 R575	Y349-Y354 AromaticContact CD1-CD2 3.91Å; Y349-Y354 HydrophobicContact CD1-CD2 3.91Å; Y349-Y354 HydrophobicContact CD1-CE2 4.41Å; Y349-Y354 HydrophobicContact CD1-CG 4.02Å; Y349-Y354 HydrophobicContact CG-CD2 4.38Å; Y349-Y354 HydrophobicContact CG-CG 4.21Å; Y349-Y354 PolarHBondContact O-N 3.31Å; R352-Y354 VanDerWaalsContact C-N 3.29Å; R352-Y354 HydrophobicContact CB-CD2 3.75Å; R352-Y354 HydrophobicContact CB-CE2 3.73Å; R352-Y354 PolarHBondContact O-N 3.42Å; Y354-R418 HydrophobicContact CD1-CB 3.59Å; Y354-R418 HydrophobicContact CE1-CB 3.84Å; Y354-R418 HydrophobicContact CE1-CG 4.5Å; Y354-R418 HydrophobicContact CG-CB 4.15Å; Y354-A420 HydrophobicContact CD1-CB 3.96Å; Y354-A420 HydrophobicContact CG-CB 4.45Å; Y354-A448 HydrophobicContact CD1-CB 4.18Å; Y354-A448 HydrophobicContact CE1-CB 3.75Å; Y354-H450 AromaticContact CE1-CD2 3.85Å; Y354-H450 AromaticContact CE1-NE2 3.14Å; Y354-H450 WeakPolarHBondContact CE1-NE2 3.37Å; Y354-H450 AromaticContact CZ-CE1 3.8Å; Y354-H450 AromaticContact CZ-NE2 3.3Å; Y354-H450 VanDerWaalsContact CZ-NE2 3.3Å; Y354-H450 PolarHBondContact OH-CE1 2.89Å; Y354-H450 PolarHBondContact OH-NE2 3.01Å; Y354-F467 HydrophobicContact CE2-CD1 4.36Å; Y354-F467 HydrophobicContact CE2-CE1 4.35Å; Y354-R575 VanDerWaalsContact CZ-NH2 3.31Å; Y354-R575 PolarHBondContact OH-NE 2.81Å
355	K	97.3	Very high	97.2	Very high	129 Å²	129	65.7 Å²	65.7	56%	0.561	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	108.8	174.5	-56.7	-59.3	-179.1	-176.8	0	108.5	R418 F419 A420	K355-R418 PolarHBondContact N-O 2.88Å; K355-F419 HydrophobicContact CB-CD1 4.26Å; K355-F419 WeakPolarHBondContact O-CA 3.31Å; K355-A420 PolarHBondContact O-N 3.49Å
356	E	97.6	Very high	97.2	Very high	87 Å²	87	70.7 Å²	70.7	41%	0.407	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.8	178.7	-163.9	171.3	161.6	0	0	110.2	R346 A420	R346-E356 IonicContact CZ-OE1 3.27Å; R346-E356 IonicContact CZ-OE2 3.9Å; R346-E356 IonicContact NE-OE1 3.69Å; R346-E356 PolarHBondContact NE-OE1 2.93Å; R346-E356 VanDerWaalsContact NE-OE1 3.14Å; R346-E356 IonicContact NE-OE2 2.87Å; R346-E356 PolarHBondContact NE-OE2 3.36Å; R346-E356 IonicContact NH2-OE1 3.8Å; R346-E356 PolarHBondContact NH2-OE1 3.12Å; R346-E356 IonicContact NH2-OE2 3.36Å; E356-A420 CarbonylContact C-O 3.56Å; E356-A420 VanDerWaalsContact CA-O 3.25Å; E356-A420 WeakPolarHBondContact CA-O 3.27Å
357	V	98.1	Very high	97.2	Very high	17 Å²	17	67.3 Å²	67.3	10%	0.103	33%	0.325	C	S	.	.			trans	-126.9	163.4	179.9	-62.4	0	0	0	0	110.3	M404 F419 A420 D421	V357-M404 HydrophobicContact CB-CE 3.74Å; V357-M404 HydrophobicContact CB-SD 4.1Å; V357-M404 HydrophobicContact CG1-CE 3.59Å; V357-M404 HydrophobicContact CG1-SD 4.39Å; V357-M404 HydrophobicContact CG2-CE 4.41Å; V357-M404 HydrophobicContact CG2-SD 4.17Å; V357-F419 HydrophobicContact CG1-CB 4.39Å; V357-F419 HydrophobicContact CG1-CD1 3.62Å; V357-F419 HydrophobicContact CG1-CE1 4.02Å; V357-F419 HydrophobicContact CG1-CG 4.03Å; V357-F419 HydrophobicContact CG2-CB 4.16Å; V357-F419 HydrophobicContact CG2-CG 4.49Å; V357-A420 PolarHBondContact N-O 2.65Å; V357-D421 HydrophobicContact CG2-CB 3.94Å
358	I	97.7	Very high	97.1	Very high	158 Å²	158	63.5 Å²	63.5	81%	0.81	31%	0.308	S	S	*	.			trans	-125.2	126.5	174.1	-60.4	174.8	0	0	0	107.5
359	T	97.6	Very high	97.1	Very high	8 Å²	8	66.4 Å²	66.4	5%	0.049	32%	0.321	C	S	.	.			trans	-116.1	150.4	178.4	53.8	0	0	0	0	112.2	K394 M404 D421	T359-K394 PolarHBondContact O-NZ 2.97Å; T359-K394 PolarHBondContact OG1-NZ 2.94Å; T359-M404 HydrophobicContact CG2-SD 3.75Å; T359-D421 WeakPolarHBondContact CB-OD2 3.49Å; T359-D421 VanDerWaalsContact CG2-OD2 3.25Å; T359-D421 WeakPolarHBondContact CG2-OD2 3.5Å; T359-D421 PolarHBondContact OG1-OD2 3.43Å
360	P	97.2	Very high	97	Very high	79 Å²	79	68.7 Å²	68.7	51%	0.513	33%	0.334	S	S	.	.			trans	-54.2	159	175	-27.8	33.2	0	0	0	114.8	Y363 K394	P360-Y363 HydrophobicContact CB-CE1 4.27Å; P360-Y363 HydrophobicContact CB-CE2 4.26Å; P360-Y363 WeakPolarHBondContact CD-OH 3.46Å; P360-Y363 HydrophobicContact CG-CE1 4.33Å; P360-Y363 VanDerWaalsContact O-CE2 3.25Å; P360-Y363 WeakPolarHBondContact O-CE2 3.47Å; P360-K394 WeakPolarHBondContact O-CD 3.47Å; P360-K394 WeakPolarHBondContact O-CE 3.26Å; P360-K394 PolarHBondContact O-NZ 2.84Å
361	N	96.4	Very high	97	Very high	69 Å²	69	58.4 Å²	58.4	37%	0.369	30%	0.295	S	S	.	.	S	Bend	trans	-92.5	-20.3	178.3	-72.4	32.4	0	0	0	113.7	L393 K394	N361-L393 CarbonylContact O-C 3.58Å; N361-L393 VanDerWaalsContact O-CA 3.32Å; N361-L393 WeakPolarHBondContact O-CA 3.29Å; N361-K394 PolarHBondContact O-N 3.02Å
362	M	96.1	Very high	96.7	Very high	80 Å²	80	50.9 Å²	50.9	39%	0.394	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.4	-172.8	-173.2	172.4	68.9	0	0	109.5	I384 I386 F391 G392 L393	M362-I384 HydrophobicContact SD-CD1 4.31Å; M362-I386 HydrophobicContact CE-CD1 3.75Å; M362-I386 HydrophobicContact SD-CD1 3.92Å; M362-F391 HydrophobicContact CE-CD1 4.44Å; M362-F391 HydrophobicContact CG-CB 4.14Å; M362-F391 HydrophobicContact CG-CD1 4.12Å; M362-F391 HydrophobicContact SD-CB 4.27Å; M362-G392 WeakPolarHBondContact CA-O 3.46Å; M362-L393 HydrophobicContact CB-CD2 4.37Å
363	Y	97.2	Very high	96.5	Very high	29 Å²	29	48.5 Å²	48.5	11%	0.114	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	151.6	-178.8	-65.7	-89.1	0	0	0	110.6	P360 L367 W368 F391 G392 K394 L403	P360-Y363 HydrophobicContact CB-CE1 4.27Å; P360-Y363 HydrophobicContact CB-CE2 4.26Å; P360-Y363 WeakPolarHBondContact CD-OH 3.46Å; P360-Y363 HydrophobicContact CG-CE1 4.33Å; P360-Y363 VanDerWaalsContact O-CE2 3.25Å; P360-Y363 WeakPolarHBondContact O-CE2 3.47Å; Y363-L367 HydrophobicContact CD1-CD2 3.27Å; Y363-L367 HydrophobicContact CD2-CD2 4.08Å; Y363-L367 HydrophobicContact CE1-CD2 3.71Å; Y363-L367 HydrophobicContact CE2-CD2 4.46Å; Y363-L367 HydrophobicContact CG-CD2 3.44Å; Y363-L367 VanDerWaalsContact CG-CD2 3.44Å; Y363-W368 HydrophobicContact CD2-CH2 4.25Å; Y363-W368 AromaticContact CD2-CZ2 3.7Å; Y363-W368 HydrophobicContact CD2-CZ2 3.7Å; Y363-W368 HydrophobicContact CG-CZ2 4.16Å; Y363-F391 VanDerWaalsContact C-CD1 3.48Å; Y363-F391 CarbonylContact O-C 3.56Å; Y363-F391 VanDerWaalsContact O-CA 3.31Å; Y363-F391 WeakPolarHBondContact O-CA 3.33Å; Y363-G392 PolarHBondContact N-O 2.87Å; Y363-G392 PolarHBondContact O-N 3.01Å; Y363-K394 HydrophobicContact CD2-CB 4.1Å; Y363-K394 HydrophobicContact CE2-CB 4.03Å; Y363-K394 HydrophobicContact CE2-CD 4.17Å; Y363-K394 HydrophobicContact CE2-CG 4.42Å; Y363-L403 HydrophobicContact CE1-CD1 4.4Å
364	N	97	Very high	96.3	Very high	46 Å²	46	49.5 Å²	49.5	25%	0.246	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	146	168.3	178.7	-65.6	0	0	0	110.1	H366 L367 E389 F391	N364-H366 PolarHBondContact O-N 2.97Å; N364-H366 VanDerWaalsContact O-N 3.12Å; N364-H366 WeakPolarHBondContact OD1-CB 3.4Å; N364-H366 PolarHBondContact OD1-N 2.71Å; N364-L367 PolarHBondContact O-N 3.01Å; N364-L367 VanDerWaalsContact O-N 3.14Å; N364-E389 PolarHBondContact ND2-OE2 2.83Å; N364-F391 HydrophobicContact CB-CD1 4.29Å; N364-F391 HydrophobicContact CB-CE1 3.9Å; N364-F391 HydrophobicContact CB-CZ 4.06Å
365	S	95.8	Very high	95.9	Very high	13 Å²	13	54.2 Å²	54.2	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-53.9	-31.4	-178.2	66.7	0	0	0	0	113.3	L367 W368 E369 Q390	S365-L367 PolarHBondContact O-N 2.96Å; S365-W368 WeakPolarHBondContact O-CA 3.34Å; S365-W368 WeakPolarHBondContact O-CB 3.42Å; S365-W368 PolarHBondContact O-N 3.17Å; S365-E369 PolarHBondContact O-N 2.84Å; S365-E369 PolarHBondContact OG-OE1 3.28Å; S365-E369 VanDerWaalsContact OG-OE1 3.12Å; S365-Q390 WeakPolarHBondContact CB-O 3.22Å; S365-Q390 PolarHBondContact N-O 3.47Å; S365-Q390 PolarHBondContact OG-O 2.85Å
366	H	96.4	Very high	95.4	Very high	105 Å²	105	51.5 Å²	51.5	49%	0.486	26%	0.257	S	S	.	.	H	α-helix	trans	-55.9	-35	179.8	-168	55.2	0	0	0	113.1	N364 W368 E369 I370	N364-H366 PolarHBondContact O-N 2.97Å; N364-H366 VanDerWaalsContact O-N 3.12Å; N364-H366 WeakPolarHBondContact OD1-CB 3.4Å; N364-H366 PolarHBondContact OD1-N 2.71Å; H366-W368 VanDerWaalsContact C-N 3.27Å; H366-W368 PolarHBondContact O-N 3.27Å; H366-E369 IonicContact ND1-OE2 3.83Å; H366-E369 PolarHBondContact ND1-OE2 3.15Å; H366-E369 PolarHBondContact O-N 2.99Å; H366-I370 VanDerWaalsContact O-CG1 3.29Å; H366-I370 WeakPolarHBondContact O-CG1 3.45Å; H366-I370 PolarHBondContact O-N 3.45Å
367	L	97.7	Very high	94.9	Very high	14 Å²	14	49.9 Å²	49.9	7%	0.073	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-43.5	174.4	179.8	64.6	0	0	0	111.5	Y363 N364 S365 S371 P399 L403 F556	Y363-L367 HydrophobicContact CD1-CD2 3.27Å; Y363-L367 HydrophobicContact CD2-CD2 4.08Å; Y363-L367 HydrophobicContact CE1-CD2 3.71Å; Y363-L367 HydrophobicContact CE2-CD2 4.46Å; Y363-L367 HydrophobicContact CG-CD2 3.44Å; Y363-L367 VanDerWaalsContact CG-CD2 3.44Å; N364-L367 PolarHBondContact O-N 3.01Å; N364-L367 VanDerWaalsContact O-N 3.14Å; S365-L367 PolarHBondContact O-N 2.96Å; L367-S371 WeakPolarHBondContact O-CB 3.43Å; L367-S371 PolarHBondContact O-N 3.43Å; L367-S371 VanDerWaalsContact O-N 3.1Å; L367-S371 PolarHBondContact O-OG 3.07Å; L367-P399 HydrophobicContact CD1-CB 3.97Å; L367-P399 HydrophobicContact CD2-CB 4.08Å; L367-P399 HydrophobicContact CG-CB 3.89Å; L367-L403 HydrophobicContact CD1-CD1 3.82Å; L367-L403 HydrophobicContact CD1-CD2 4.1Å; L367-L403 HydrophobicContact CD1-CG 3.93Å; L367-L403 HydrophobicContact CD2-CD1 4.39Å; L367-F556 HydrophobicContact CD1-CE1 3.51Å; L367-F556 HydrophobicContact CD1-CZ 3.55Å
368	W	96.4	Very high	94.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-74.4	-32.6	-177.9	-49.7	114.8	0	0	0	111.2	Y363 S365 H366 S371 G372 H373 W374 M381 K394 M396 P399	Y363-W368 HydrophobicContact CD2-CH2 4.25Å; Y363-W368 AromaticContact CD2-CZ2 3.7Å; Y363-W368 HydrophobicContact CD2-CZ2 3.7Å; Y363-W368 HydrophobicContact CG-CZ2 4.16Å; S365-W368 WeakPolarHBondContact O-CA 3.34Å; S365-W368 WeakPolarHBondContact O-CB 3.42Å; S365-W368 PolarHBondContact O-N 3.17Å; H366-W368 VanDerWaalsContact C-N 3.27Å; H366-W368 PolarHBondContact O-N 3.27Å; W368-S371 WeakPolarHBondContact CA-OG 3.43Å; W368-S371 PolarHBondContact O-N 2.85Å; W368-S371 PolarHBondContact O-OG 2.76Å; W368-G372 CarbonylContact O-C 3.5Å; W368-G372 PolarHBondContact O-N 3.14Å; W368-H373 HydrophobicContact CB-CB 4.48Å; W368-H373 HydrophobicContact CE3-CB 4.3Å; W368-H373 PolarHBondContact O-N 3.16Å; W368-W374 HydrophobicContact CB-CB 4.05Å; W368-W374 HydrophobicContact CB-CE3 4.21Å; W368-W374 PolarHBondContact O-N 3.46Å; W368-M381 HydrophobicContact CB-CE 4.49Å; W368-M381 VanDerWaalsContact CD1-CE 3.42Å; W368-M381 HydrophobicContact CD2-CE 3.59Å; W368-M381 VanDerWaalsContact CE2-CE 3.46Å; W368-M381 HydrophobicContact CE3-CE 4.34Å; W368-M381 HydrophobicContact CG-CE 3.6Å; W368-M381 HydrophobicContact CG-SD 4.28Å; W368-M381 HydrophobicContact CZ2-CE 4.13Å; W368-K394 HydrophobicContact CH2-CB 3.61Å; W368-K394 HydrophobicContact CZ2-CB 3.8Å; W368-M396 HydrophobicContact CE3-CE 3.65Å; W368-M396 HydrophobicContact CH2-CE 4.45Å; W368-M396 HydrophobicContact CZ3-CE 3.44Å; W368-M396 VanDerWaalsContact CZ3-CE 3.44Å; W368-P399 HydrophobicContact CE3-CG 3.98Å; W368-P399 HydrophobicContact CZ3-CB 4.22Å; W368-P399 HydrophobicContact CZ3-CG 3.59Å
369	E	95.9	Very high	94.1	Very high	64 Å²	64	50.7 Å²	50.7	30%	0.299	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-47.7	172.5	-67.2	161.7	-162	0	0	111.6	S365 H366 S371 G372 W374 R555	S365-E369 PolarHBondContact O-N 2.84Å; S365-E369 PolarHBondContact OG-OE1 3.28Å; S365-E369 VanDerWaalsContact OG-OE1 3.12Å; H366-E369 IonicContact ND1-OE2 3.83Å; H366-E369 PolarHBondContact ND1-OE2 3.15Å; H366-E369 PolarHBondContact O-N 2.99Å; E369-S371 VanDerWaalsContact C-N 3.32Å; E369-S371 PolarHBondContact O-N 3.32Å; E369-G372 PolarHBondContact O-N 2.89Å; E369-W374 HydrophobicContact CB-CB 4.45Å; E369-W374 HydrophobicContact CG-CB 3.88Å; E369-W374 HydrophobicContact CG-CD2 4.49Å; E369-W374 HydrophobicContact CG-CG 3.86Å; E369-R555 PolarHBondContact O-NH1 3.45Å
370	I	96.8	Very high	93.8	Very high	55 Å²	55	53 Å²	53	28%	0.282	26%	0.257	S	S	.	.	H	α-helix	trans	-55.6	-51.8	174.8	-67.6	165.1	0	0	0	109	H366 G372 R555 F556	H366-I370 VanDerWaalsContact O-CG1 3.29Å; H366-I370 WeakPolarHBondContact O-CG1 3.45Å; H366-I370 PolarHBondContact O-N 3.45Å; I370-G372 PolarHBondContact O-N 2.91Å; I370-R555 WeakPolarHBondContact CG2-O 3.48Å; I370-R555 WeakPolarHBondContact O-CB 3.5Å; I370-R555 VanDerWaalsContact O-CD 3.24Å; I370-R555 WeakPolarHBondContact O-CD 3.29Å; I370-R555 PolarHBondContact O-NH1 3.44Å; I370-F556 HydrophobicContact CB-CE1 4.47Å; I370-F556 HydrophobicContact CB-CZ 4.26Å; I370-F556 HydrophobicContact CG2-CD1 3.97Å; I370-F556 HydrophobicContact CG2-CD2 4.05Å; I370-F556 HydrophobicContact CG2-CE1 3.86Å; I370-F556 HydrophobicContact CG2-CE2 3.94Å; I370-F556 HydrophobicContact CG2-CG 4.05Å; I370-F556 HydrophobicContact CG2-CZ 3.82Å
371	S	95	Very high	93.7	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	23%	0.233	C	C	.	.	H	α-helix	trans	-68.5	-14.1	-177	74.9	0	0	0	0	115.2	L367 W368 E369 H373	L367-S371 WeakPolarHBondContact O-CB 3.43Å; L367-S371 PolarHBondContact O-N 3.43Å; L367-S371 VanDerWaalsContact O-N 3.1Å; L367-S371 PolarHBondContact O-OG 3.07Å; W368-S371 WeakPolarHBondContact CA-OG 3.43Å; W368-S371 PolarHBondContact O-N 2.85Å; W368-S371 PolarHBondContact O-OG 2.76Å; E369-S371 VanDerWaalsContact C-N 3.32Å; E369-S371 PolarHBondContact O-N 3.32Å; S371-H373 VanDerWaalsContact C-N 3.26Å; S371-H373 WeakPolarHBondContact CB-ND1 3.3Å; S371-H373 PolarHBondContact O-N 3.48Å; S371-H373 WeakPolarHBondContact OG-CB 3.49Å; S371-H373 PolarHBondContact OG-N 3.06Å; S371-H373 PolarHBondContact OG-ND1 2.92Å
372	G	92	Very high	93.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	85.4	-14.9	-172.5	0	0	0	0	0	114.6	W368 E369 I370 W374 Q375 H376 R555	W368-G372 CarbonylContact O-C 3.5Å; W368-G372 PolarHBondContact O-N 3.14Å; E369-G372 PolarHBondContact O-N 2.89Å; I370-G372 PolarHBondContact O-N 2.91Å; G372-W374 PolarHBondContact O-N 3.23Å; G372-Q375 VanDerWaalsContact C-OE1 3.27Å; G372-Q375 VanDerWaalsContact CA-OE1 3.29Å; G372-Q375 PolarHBondContact O-N 2.92Å; G372-Q375 VanDerWaalsContact O-N 3.14Å; G372-Q375 PolarHBondContact O-OE1 3.35Å; G372-H376 PolarHBondContact O-CD2 2.9Å; G372-H376 VanDerWaalsContact O-CD2 3.32Å; G372-H376 PolarHBondContact O-N 2.94Å; G372-R555 VanDerWaalsContact CA-NH1 3.34Å; G372-R555 VanDerWaalsContact N-NH1 3.19Å
373	H	92.8	Very high	93.5	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.019	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-23.4	-179.4	-68.9	89.4	0	0	0	113.7	W368 S371 Q375 Y377 A378 M396 F524 Y525	W368-H373 HydrophobicContact CB-CB 4.48Å; W368-H373 HydrophobicContact CE3-CB 4.3Å; W368-H373 PolarHBondContact O-N 3.16Å; S371-H373 VanDerWaalsContact C-N 3.26Å; S371-H373 WeakPolarHBondContact CB-ND1 3.3Å; S371-H373 PolarHBondContact O-N 3.48Å; S371-H373 WeakPolarHBondContact OG-CB 3.49Å; S371-H373 PolarHBondContact OG-N 3.06Å; S371-H373 PolarHBondContact OG-ND1 2.92Å; H373-Q375 VanDerWaalsContact C-N 3.32Å; H373-Q375 PolarHBondContact O-N 3.35Å; H373-Y377 CarbonylContact O-C 3.51Å; H373-Y377 VanDerWaalsContact O-CA 3.26Å; H373-Y377 WeakPolarHBondContact O-CA 3.46Å; H373-Y377 VanDerWaalsContact O-CB 3.22Å; H373-Y377 WeakPolarHBondContact O-CB 3.46Å; H373-Y377 PolarHBondContact O-N 3.19Å; H373-A378 PolarHBondContact O-N 3.38Å; H373-M396 HydrophobicContact CB-CE 3.6Å; H373-M396 WeakPolarHBondContact CD2-CE 3.48Å; H373-M396 PolarHBondContact CD2-SD 2.94Å; H373-F524 AromaticContact CD2-CE1 3.8Å; H373-F524 AromaticContact CD2-CZ 3.6Å; H373-F524 AromaticContact CE1-CZ 3.9Å; H373-F524 AromaticContact CG-CZ 3.92Å; H373-F524 AromaticContact NE2-CE1 3.91Å; H373-F524 AromaticContact NE2-CZ 3.62Å; H373-Y525 AromaticContact NE2-CE1 3.9Å
374	W	92.5	Very high	93.3	Very high	61 Å²	61	53.7 Å²	53.7	23%	0.231	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-43.1	174.7	-170.9	-103.2	0	0	0	111.4	W368 E369 G372 A378 R383 Q390	W368-W374 HydrophobicContact CB-CB 4.05Å; W368-W374 HydrophobicContact CB-CE3 4.21Å; W368-W374 PolarHBondContact O-N 3.46Å; E369-W374 HydrophobicContact CB-CB 4.45Å; E369-W374 HydrophobicContact CG-CB 3.88Å; E369-W374 HydrophobicContact CG-CD2 4.49Å; E369-W374 HydrophobicContact CG-CG 3.86Å; G372-W374 PolarHBondContact O-N 3.23Å; W374-A378 HydrophobicContact CD2-CB 3.9Å; W374-A378 HydrophobicContact CE3-CB 3.94Å; W374-A378 HydrophobicContact CG-CB 4.3Å; W374-A378 HydrophobicContact CZ3-CB 4.38Å; W374-A378 WeakPolarHBondContact O-CB 3.35Å; W374-A378 PolarHBondContact O-N 3.37Å; W374-R383 HydrophobicContact CH2-CG 4.36Å; W374-R383 HydrophobicContact CZ3-CG 4.43Å; W374-Q390 HydrophobicContact CH2-CB 4.31Å
375	Q	90.1	Very high	93.3	Very high	119 Å²	119	57.6 Å²	57.6	56%	0.556	26%	0.263	S	S	*	.	H	α-helix	trans	-71.1	-39.8	-177.7	-65.1	78.5	3.1	0	0	111.7	G372 H373	G372-Q375 VanDerWaalsContact C-OE1 3.27Å; G372-Q375 VanDerWaalsContact CA-OE1 3.29Å; G372-Q375 PolarHBondContact O-N 2.92Å; G372-Q375 VanDerWaalsContact O-N 3.14Å; G372-Q375 PolarHBondContact O-OE1 3.35Å; H373-Q375 VanDerWaalsContact C-N 3.32Å; H373-Q375 PolarHBondContact O-N 3.35Å
376	H	86.4	Confident	93.2	Very high	73 Å²	73	59.6 Å²	59.6	34%	0.338	27%	0.272	S	S	.	.	H	α-helix	trans	-94.9	-25	-175.1	-64.1	-91.1	0	0	0	114.2	G372 D489 F524	G372-H376 PolarHBondContact O-CD2 2.9Å; G372-H376 VanDerWaalsContact O-CD2 3.32Å; G372-H376 PolarHBondContact O-N 2.94Å; H376-D489 IonicContact CE1-OD2 2.69Å; H376-D489 IonicContact ND1-OD2 3.99Å; H376-D489 PolarHBondContact ND1-OD2 2.81Å; H376-F524 HydrophobicContact CB-CD1 4.06Å; H376-F524 HydrophobicContact CB-CE1 4.13Å; H376-F524 HydrophobicContact CB-CG 4.29Å; H376-F524 HydrophobicContact CB-CZ 4.41Å; H376-F524 AromaticContact CD2-CD2 3.79Å; H376-F524 AromaticContact CD2-CE2 3.97Å
377	Y	88.9	Confident	93.1	Very high	52 Å²	52	63.4 Å²	63.4	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-130.9	-6.7	-165.7	-155.4	-96.3	0	0	0	115.5	H373 K379 N380 M381 P395 R427	H373-Y377 CarbonylContact O-C 3.51Å; H373-Y377 VanDerWaalsContact O-CA 3.26Å; H373-Y377 WeakPolarHBondContact O-CA 3.46Å; H373-Y377 VanDerWaalsContact O-CB 3.22Å; H373-Y377 WeakPolarHBondContact O-CB 3.46Å; H373-Y377 PolarHBondContact O-N 3.19Å; Y377-K379 PolarHBondContact O-N 3.33Å; Y377-N380 HydrophobicContact CD1-CB 4.06Å; Y377-N380 HydrophobicContact CE1-CB 3.61Å; Y377-N380 HydrophobicContact CE2-CB 4.18Å; Y377-N380 HydrophobicContact CG-CB 4.5Å; Y377-N380 PolarHBondContact O-N 3.49Å; Y377-M381 HydrophobicContact CD1-CG 4.01Å; Y377-P395 HydrophobicContact CD1-CB 4.13Å; Y377-P395 HydrophobicContact CD1-CG 3.88Å; Y377-P395 HydrophobicContact CE1-CB 3.6Å; Y377-P395 HydrophobicContact CE1-CG 3.88Å; Y377-R427 HydrophobicContact CE1-CG 4.44Å; Y377-R427 WeakPolarHBondContact OH-CD 3.31Å; Y377-R427 WeakPolarHBondContact OH-CG 3.33Å
378	A	89.5	Confident	92.8	Very high	11 Å²	11	71.8 Å²	71.8	9%	0.091	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-57.6	-26.7	-174.1	0	0	0	0	0	115	H373 W374 N380 M381	H373-A378 PolarHBondContact O-N 3.38Å; W374-A378 HydrophobicContact CD2-CB 3.9Å; W374-A378 HydrophobicContact CE3-CB 3.94Å; W374-A378 HydrophobicContact CG-CB 4.3Å; W374-A378 HydrophobicContact CZ3-CB 4.38Å; W374-A378 WeakPolarHBondContact O-CB 3.35Å; W374-A378 PolarHBondContact O-N 3.37Å; A378-N380 PolarHBondContact O-N 2.83Å; A378-M381 PolarHBondContact O-N 3.21Å
379	K	88.1	Confident	92.8	Very high	181 Å²	181	76.8 Å²	76.8	79%	0.787	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-62.3	-29.2	176	-66.2	179.9	-176.8	171.8	0	112.5	Y377	Y377-K379 PolarHBondContact O-N 3.33Å
380	N	91.3	Very high	92.8	Very high	56 Å²	56	76.9 Å²	76.9	30%	0.299	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-98.5	12.8	-179.2	-64.8	79.7	0	0	0	112.4	Y377 A378 N428	Y377-N380 HydrophobicContact CD1-CB 4.06Å; Y377-N380 HydrophobicContact CE1-CB 3.61Å; Y377-N380 HydrophobicContact CE2-CB 4.18Å; Y377-N380 HydrophobicContact CG-CB 4.5Å; Y377-N380 PolarHBondContact O-N 3.49Å; A378-N380 PolarHBondContact O-N 2.83Å; N380-N428 PolarHBondContact O-N 3.13Å
381	M	94.9	Very high	92.8	Very high	2 Å²	2	76.3 Å²	76.3	1%	0.01	35%	0.345	C	S	.	.	S	Bend	trans	-102.2	143.7	176.2	-65	-179.1	70	0	0	111.4	W368 Y377 A378 R383 P395	W368-M381 HydrophobicContact CB-CE 4.49Å; W368-M381 VanDerWaalsContact CD1-CE 3.42Å; W368-M381 HydrophobicContact CD2-CE 3.59Å; W368-M381 VanDerWaalsContact CE2-CE 3.46Å; W368-M381 HydrophobicContact CE3-CE 4.34Å; W368-M381 HydrophobicContact CG-CE 3.6Å; W368-M381 HydrophobicContact CG-SD 4.28Å; W368-M381 HydrophobicContact CZ2-CE 4.13Å; Y377-M381 HydrophobicContact CD1-CG 4.01Å; A378-M381 PolarHBondContact O-N 3.21Å; M381-R383 HydrophobicContact CB-CG 4.39Å; M381-R383 PolarHBondContact O-N 3.38Å; M381-P395 HydrophobicContact CE-CG 4.17Å; M381-P395 HydrophobicContact CG-CG 3.91Å; M381-P395 HydrophobicContact SD-CG 4.27Å
382	F	94.8	Very high	92.8	Very high	56 Å²	56	76.2 Å²	76.2	25%	0.246	35%	0.345	C	S	.	.			trans	-77.4	117.9	163.8	-67.8	-78	0	0	0	108.4	G392 L393 H426 R427 N428 R441	F382-G392 CarbonylContact O-C 3.5Å; F382-G392 WeakPolarHBondContact O-CA 3.49Å; F382-L393 HydrophobicContact CB-CB 4.26Å; F382-L393 HydrophobicContact CB-CD1 4Å; F382-L393 HydrophobicContact CB-CG 4.19Å; F382-L393 HydrophobicContact CD2-CD1 4.36Å; F382-L393 HydrophobicContact CG-CD1 4.36Å; F382-L393 PolarHBondContact O-N 2.89Å; F382-H426 HydrophobicContact CD2-CB 3.77Å; F382-H426 HydrophobicContact CE2-CB 4.09Å; F382-R427 VanDerWaalsContact CE2-C 3.49Å; F382-R427 WeakPolarHBondContact CE2-O 3.27Å; F382-N428 HydrophobicContact CD1-CB 4.22Å; F382-N428 HydrophobicContact CD2-CB 4.21Å; F382-N428 HydrophobicContact CE1-CB 4.03Å; F382-N428 WeakPolarHBondContact CE1-OD1 3.23Å; F382-N428 HydrophobicContact CE2-CB 4.05Å; F382-N428 HydrophobicContact CG-CB 4.31Å; F382-N428 HydrophobicContact CZ-CB 3.95Å; F382-R441 HydrophobicContact CE2-CB 4.32Å; F382-R441 HydrophobicContact CZ-CB 4.23Å; F382-R441 HydrophobicContact CZ-CG 4.11Å
383	R	93.7	Very high	93	Very high	143 Å²	143	78.1 Å²	78.1	54%	0.54	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.9	-176.4	-64.6	174.1	-70.2	170.2	2.8	109.8	W374 M381 F391	W374-R383 HydrophobicContact CH2-CG 4.36Å; W374-R383 HydrophobicContact CZ3-CG 4.43Å; M381-R383 HydrophobicContact CB-CG 4.39Å; M381-R383 PolarHBondContact O-N 3.38Å; R383-F391 CarbonylContact C-O 3.58Å; R383-F391 VanDerWaalsContact CA-O 3.3Å; R383-F391 WeakPolarHBondContact CA-O 2.86Å
384	I	94	Very high	93.2	Very high	72 Å²	72	78 Å²	78	37%	0.369	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	126.7	-177.6	-52.6	174.3	0	0	0	106.8	M362 I386 F391	M362-I384 HydrophobicContact SD-CD1 4.31Å; I384-I386 HydrophobicContact CG2-CD1 4.38Å; I384-I386 HydrophobicContact CG2-CG1 3.95Å; I384-F391 PolarHBondContact N-O 2.95Å; I384-F391 WeakPolarHBondContact O-CA 3.45Å; I384-F391 PolarHBondContact O-N 3.44Å
385	E	95.8	Very high	93.4	Very high	127 Å²	127	75.1 Å²	75.1	59%	0.593	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.5	171.7	-170.4	177.7	161.6	0	0	109.3	E389	E385-E389 WeakPolarHBondContact CA-O 3.37Å
386	I	94.7	Very high	93.6	Very high	55 Å²	55	70.6 Å²	70.6	28%	0.282	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	119.1	178	-56	179.2	0	0	0	106.7	M362 I384 K388 E389 F391	M362-I386 HydrophobicContact CE-CD1 3.75Å; M362-I386 HydrophobicContact SD-CD1 3.92Å; I384-I386 HydrophobicContact CG2-CD1 4.38Å; I384-I386 HydrophobicContact CG2-CG1 3.95Å; I386-K388 PolarHBondContact O-N 2.84Å; I386-K388 VanDerWaalsContact O-N 3.14Å; I386-E389 PolarHBondContact N-O 2.91Å; I386-E389 WeakPolarHBondContact O-CA 3.22Å; I386-E389 PolarHBondContact O-N 3.42Å; I386-F391 HydrophobicContact CB-CD2 3.77Å; I386-F391 HydrophobicContact CB-CE2 4Å; I386-F391 HydrophobicContact CD1-CB 4.08Å; I386-F391 HydrophobicContact CD1-CD1 4.4Å; I386-F391 HydrophobicContact CD1-CD2 3.95Å; I386-F391 HydrophobicContact CD1-CG 3.88Å; I386-F391 HydrophobicContact CG1-CB 4.48Å; I386-F391 HydrophobicContact CG1-CD2 4.02Å; I386-F391 HydrophobicContact CG1-CG 4.37Å
387	E	93.4	Very high	94.1	Very high	185 Å²	185	67.1 Å²	67.1	86%	0.864	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	37.5	176.2	-60.2	-176.7	176.4	0	0	114.4	E389	E387-E389 PolarHBondContact O-N 3.28Å
388	K	92.6	Very high	94.5	Very high	191 Å²	191	64.8 Å²	64.8	83%	0.83	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	4.4	-175.5	-48.8	173.9	179.7	175.6	0	115.1	I386	I386-K388 PolarHBondContact O-N 2.84Å; I386-K388 VanDerWaalsContact O-N 3.14Å
389	E	95.6	Very high	94.9	Very high	105 Å²	105	64.2 Å²	64.2	49%	0.491	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	150.4	168.8	-66.4	-169.4	167.7	0	0	110.8	N364 E385 I386 E387 F391	N364-E389 PolarHBondContact ND2-OE2 2.83Å; E385-E389 WeakPolarHBondContact CA-O 3.37Å; I386-E389 PolarHBondContact N-O 2.91Å; I386-E389 WeakPolarHBondContact O-CA 3.22Å; I386-E389 PolarHBondContact O-N 3.42Å; E387-E389 PolarHBondContact O-N 3.28Å; E389-F391 HydrophobicContact CB-CD2 4.33Å; E389-F391 HydrophobicContact CB-CE2 3.86Å
390	Q	95.5	Very high	95.3	Very high	66 Å²	66	55.8 Å²	55.8	31%	0.308	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.7	176.5	-69	-66.5	-41	0	0	109.8	S365 W374	S365-Q390 WeakPolarHBondContact CB-O 3.22Å; S365-Q390 PolarHBondContact N-O 3.47Å; S365-Q390 PolarHBondContact OG-O 2.85Å; W374-Q390 HydrophobicContact CH2-CB 4.31Å
391	F	96.5	Very high	95.7	Very high	42 Å²	42	53.1 Å²	53.1	18%	0.184	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	162.6	171.3	-76.4	-105.2	0	0	0	109.7	M362 Y363 N364 R383 I384 I386 E389	M362-F391 HydrophobicContact CE-CD1 4.44Å; M362-F391 HydrophobicContact CG-CB 4.14Å; M362-F391 HydrophobicContact CG-CD1 4.12Å; M362-F391 HydrophobicContact SD-CB 4.27Å; Y363-F391 VanDerWaalsContact C-CD1 3.48Å; Y363-F391 CarbonylContact O-C 3.56Å; Y363-F391 VanDerWaalsContact O-CA 3.31Å; Y363-F391 WeakPolarHBondContact O-CA 3.33Å; N364-F391 HydrophobicContact CB-CD1 4.29Å; N364-F391 HydrophobicContact CB-CE1 3.9Å; N364-F391 HydrophobicContact CB-CZ 4.06Å; R383-F391 CarbonylContact C-O 3.58Å; R383-F391 VanDerWaalsContact CA-O 3.3Å; R383-F391 WeakPolarHBondContact CA-O 2.86Å; I384-F391 PolarHBondContact N-O 2.95Å; I384-F391 WeakPolarHBondContact O-CA 3.45Å; I384-F391 PolarHBondContact O-N 3.44Å; I386-F391 HydrophobicContact CB-CD2 3.77Å; I386-F391 HydrophobicContact CB-CE2 4Å; I386-F391 HydrophobicContact CD1-CB 4.08Å; I386-F391 HydrophobicContact CD1-CD1 4.4Å; I386-F391 HydrophobicContact CD1-CD2 3.95Å; I386-F391 HydrophobicContact CD1-CG 3.88Å; I386-F391 HydrophobicContact CG1-CB 4.48Å; I386-F391 HydrophobicContact CG1-CD2 4.02Å; I386-F391 HydrophobicContact CG1-CG 4.37Å; E389-F391 HydrophobicContact CB-CD2 4.33Å; E389-F391 HydrophobicContact CB-CE2 3.86Å
392	G	94.8	Very high	95.8	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	150.9	171.1	0	0	0	0	0	113.2	M362 Y363 F382	M362-G392 WeakPolarHBondContact CA-O 3.46Å; Y363-G392 PolarHBondContact N-O 2.87Å; Y363-G392 PolarHBondContact O-N 3.01Å; F382-G392 CarbonylContact O-C 3.5Å; F382-G392 WeakPolarHBondContact O-CA 3.49Å
393	L	96.7	Very high	96	Very high	40 Å²	40	54.1 Å²	54.1	21%	0.209	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	136.5	166.8	-60.1	179.1	0	0	0	109.1	N361 M362 F382 P395 H426	N361-L393 CarbonylContact O-C 3.58Å; N361-L393 VanDerWaalsContact O-CA 3.32Å; N361-L393 WeakPolarHBondContact O-CA 3.29Å; M362-L393 HydrophobicContact CB-CD2 4.37Å; F382-L393 HydrophobicContact CB-CB 4.26Å; F382-L393 HydrophobicContact CB-CD1 4Å; F382-L393 HydrophobicContact CB-CG 4.19Å; F382-L393 HydrophobicContact CD2-CD1 4.36Å; F382-L393 HydrophobicContact CG-CD1 4.36Å; F382-L393 PolarHBondContact O-N 2.89Å; L393-P395 WeakPolarHBondContact O-CD 3.45Å; L393-H426 HydrophobicContact CB-CB 3.79Å; L393-H426 HydrophobicContact CD1-CB 4.03Å
394	K	96.9	Very high	96.2	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	24%	0.239	C	C	.	.			trans	-65.1	128.6	-177	59.7	165.4	175.3	-178.2	0	112.4	T359 P360 N361 Y363 W368 N397 V424 L425 H426	T359-K394 PolarHBondContact O-NZ 2.97Å; T359-K394 PolarHBondContact OG1-NZ 2.94Å; P360-K394 WeakPolarHBondContact O-CD 3.47Å; P360-K394 WeakPolarHBondContact O-CE 3.26Å; P360-K394 PolarHBondContact O-NZ 2.84Å; N361-K394 PolarHBondContact O-N 3.02Å; Y363-K394 HydrophobicContact CD2-CB 4.1Å; Y363-K394 HydrophobicContact CE2-CB 4.03Å; Y363-K394 HydrophobicContact CE2-CD 4.17Å; Y363-K394 HydrophobicContact CE2-CG 4.42Å; W368-K394 HydrophobicContact CH2-CB 3.61Å; W368-K394 HydrophobicContact CZ2-CB 3.8Å; K394-N397 PolarHBondContact NZ-OD1 2.87Å; K394-V424 WeakPolarHBondContact CE-O 3.43Å; K394-L425 HydrophobicContact CD-CD2 3.75Å; K394-L425 HydrophobicContact CG-CD2 3.94Å; K394-L425 WeakPolarHBondContact O-CA 3.25Å; K394-H426 PolarHBondContact O-N 2.91Å
395	P	96.2	Very high	96.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-95.5	-9	173.1	35.7	-34.5	0	0	0	114.2	Y377 M381 L393 H426 R427	Y377-P395 HydrophobicContact CD1-CB 4.13Å; Y377-P395 HydrophobicContact CD1-CG 3.88Å; Y377-P395 HydrophobicContact CE1-CB 3.6Å; Y377-P395 HydrophobicContact CE1-CG 3.88Å; M381-P395 HydrophobicContact CE-CG 4.17Å; M381-P395 HydrophobicContact CG-CG 3.91Å; M381-P395 HydrophobicContact SD-CG 4.27Å; L393-P395 WeakPolarHBondContact O-CD 3.45Å; P395-H426 VanDerWaalsContact CA-O 3.24Å; P395-H426 WeakPolarHBondContact CA-O 3.12Å; P395-H426 VanDerWaalsContact CB-O 3.3Å; P395-H426 WeakPolarHBondContact CB-O 3.46Å; P395-R427 HydrophobicContact CB-CG 3.85Å; P395-R427 PolarHBondContact O-NE 2.77Å; P395-R427 VanDerWaalsContact O-NE 3.1Å; P395-R427 PolarHBondContact O-NH2 2.9Å
396	M	95.4	Very high	96.5	Very high	24 Å²	24	43.4 Å²	43.4	12%	0.118	22%	0.215	C	C	.	.			trans	-153.6	163.2	172.4	55.2	-101.2	146.7	0	0	110.8	W368 H373	W368-M396 HydrophobicContact CE3-CE 3.65Å; W368-M396 HydrophobicContact CH2-CE 4.45Å; W368-M396 HydrophobicContact CZ3-CE 3.44Å; W368-M396 VanDerWaalsContact CZ3-CE 3.44Å; H373-M396 HydrophobicContact CB-CE 3.6Å; H373-M396 WeakPolarHBondContact CD2-CE 3.48Å; H373-M396 PolarHBondContact CD2-SD 2.94Å
397	N	97.1	Very high	96.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.233	C	C	.	.	S	Bend	trans	-92.1	-18.1	-178.3	-56.8	-66.1	0	0	0	114.4	K394 P399 G400 H401 L425 D447	K394-N397 PolarHBondContact NZ-OD1 2.87Å; N397-P399 VanDerWaalsContact O-N 3.17Å; N397-G400 PolarHBondContact O-N 3.4Å; N397-H401 PolarHBondContact O-N 3.4Å; N397-L425 WeakPolarHBondContact OD1-CD2 3.38Å; N397-D447 VanDerWaalsContact CB-OD2 3.32Å; N397-D447 WeakPolarHBondContact CB-OD2 3.47Å; N397-D447 PolarHBondContact N-OD2 3.21Å; N397-D447 VanDerWaalsContact ND2-CB 3.35Å; N397-D447 WeakPolarHBondContact ND2-CB 3.41Å; N397-D447 PolarHBondContact ND2-OD2 2.68Å
398	C	96.9	Very high	96.8	Very high	2 Å²	2	42 Å²	42	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-48.9	-46	-170	61.6	0	0	0	0	115	G400 H401 C402 H449 L552	C398-G400 VanDerWaalsContact C-N 3.31Å; C398-G400 PolarHBondContact O-N 2.82Å; C398-H401 PolarHBondContact O-N 3.28Å; C398-H401 VanDerWaalsContact O-N 3.11Å; C398-C402 PolarHBondContact O-N 2.93Å; C398-C402 VanDerWaalsContact O-N 3.12Å; C398-C402 PolarHBondContact O-SG 3.05Å; C398-C402 VanDerWaalsContact O-SG 3.37Å; C398-H449 WeakPolarHBondContact CB-NE2 3.45Å; C398-L552 HydrophobicContact CB-CD1 3.78Å
399	P	97.4	Very high	97	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-72.4	-29.3	-175.1	-21.1	41.2	0	0	0	111.8	L367 W368 N397 H401 C402 L403 F556	L367-P399 HydrophobicContact CD1-CB 3.97Å; L367-P399 HydrophobicContact CD2-CB 4.08Å; L367-P399 HydrophobicContact CG-CB 3.89Å; W368-P399 HydrophobicContact CE3-CG 3.98Å; W368-P399 HydrophobicContact CZ3-CB 4.22Å; W368-P399 HydrophobicContact CZ3-CG 3.59Å; N397-P399 VanDerWaalsContact O-N 3.17Å; P399-H401 VanDerWaalsContact C-N 3.33Å; P399-C402 WeakPolarHBondContact O-CB 3.15Å; P399-C402 PolarHBondContact O-N 3.15Å; P399-L403 PolarHBondContact O-N 2.87Å; P399-F556 HydrophobicContact CB-CE2 4.18Å; P399-F556 HydrophobicContact CB-CZ 3.78Å
400	G	97.6	Very high	97	Very high	3 Å²	3	34.4 Å²	34.4	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-38.1	172.1	0	0	0	0	0	112.1	N397 C398 L403 M404	N397-G400 PolarHBondContact O-N 3.4Å; C398-G400 VanDerWaalsContact C-N 3.31Å; C398-G400 PolarHBondContact O-N 2.82Å; G400-L403 PolarHBondContact O-N 3.49Å; G400-M404 WeakPolarHBondContact O-CG 3.49Å; G400-M404 PolarHBondContact O-N 2.92Å; G400-M404 VanDerWaalsContact O-N 3.14Å
401	H	98.4	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-70	-33.9	176.9	-67.9	-171.3	0	0	0	111.7	N397 C398 P399 M404 F405 F419 D421 H449 F451	N397-H401 PolarHBondContact O-N 3.4Å; C398-H401 PolarHBondContact O-N 3.28Å; C398-H401 VanDerWaalsContact O-N 3.11Å; P399-H401 VanDerWaalsContact C-N 3.33Å; H401-M404 PolarHBondContact O-N 3.22Å; H401-F405 PolarHBondContact O-N 3.3Å; H401-F419 HydrophobicContact CB-CD2 4.29Å; H401-D421 IonicContact CD2-OD2 3.59Å; H401-D421 VanDerWaalsContact CE1-CB 3.43Å; H401-D421 WeakPolarHBondContact CE1-CB 3.43Å; H401-D421 IonicContact CE1-OD2 2.7Å; H401-D421 VanDerWaalsContact NE2-CB 3.25Å; H401-D421 WeakPolarHBondContact NE2-CB 3.43Å; H401-D421 IonicContact NE2-OD2 3.14Å; H401-D421 PolarHBondContact NE2-OD2 3.48Å; H401-H449 HydrophobicContact CB-CB 4.27Å; H401-H449 AromaticContact CE1-ND1 3.4Å; H401-H449 PolarHBondContact CE1-ND1 3.21Å; H401-H449 AromaticContact CG-ND1 3.66Å; H401-H449 AromaticContact ND1-CE1 3.87Å; H401-H449 AromaticContact ND1-CG 3.52Å; H401-H449 AromaticContact ND1-ND1 2.8Å; H401-H449 PolarHBondContact ND1-ND1 3.12Å; H401-F451 HydrophobicContact CB-CE2 4.24Å; H401-F451 HydrophobicContact CB-CZ 4.07Å
402	C	98.6	Very high	97.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-45	171.3	-61.5	0	0	0	0	111.8	C398 P399 M404 F405 A406 F556 L558	C398-C402 PolarHBondContact O-N 2.93Å; C398-C402 VanDerWaalsContact O-N 3.12Å; C398-C402 PolarHBondContact O-SG 3.05Å; C398-C402 VanDerWaalsContact O-SG 3.37Å; P399-C402 WeakPolarHBondContact O-CB 3.15Å; P399-C402 PolarHBondContact O-N 3.15Å; C402-M404 VanDerWaalsContact C-N 3.32Å; C402-M404 PolarHBondContact O-N 3.4Å; C402-F405 PolarHBondContact O-N 3.03Å; C402-A406 WeakPolarHBondContact O-CB 3.31Å; C402-A406 PolarHBondContact O-N 3.03Å; C402-F556 HydrophobicContact CB-CB 4.07Å; C402-F556 HydrophobicContact CB-CD1 3.8Å; C402-F556 HydrophobicContact CB-CD2 3.78Å; C402-F556 HydrophobicContact CB-CE1 4.18Å; C402-F556 HydrophobicContact CB-CE2 4.16Å; C402-F556 HydrophobicContact CB-CG 3.59Å; C402-F556 HydrophobicContact CB-CZ 4.37Å; C402-L558 HydrophobicContact CB-CD1 4.02Å; C402-L558 HydrophobicContact CB-CD2 4.33Å
403	L	98.3	Very high	97.2	Very high	80 Å²	80	42.5 Å²	42.5	42%	0.419	23%	0.229	S	C	.	.	H	α-helix	trans	-59.9	-42.4	174.9	-64.4	-178.7	0	0	0	112	Y363 L367 P399 G400 A406 S407 F556	Y363-L403 HydrophobicContact CE1-CD1 4.4Å; L367-L403 HydrophobicContact CD1-CD1 3.82Å; L367-L403 HydrophobicContact CD1-CD2 4.1Å; L367-L403 HydrophobicContact CD1-CG 3.93Å; L367-L403 HydrophobicContact CD2-CD1 4.39Å; P399-L403 PolarHBondContact O-N 2.87Å; G400-L403 PolarHBondContact O-N 3.49Å; L403-A406 PolarHBondContact O-N 3.33Å; L403-S407 WeakPolarHBondContact O-CB 3.13Å; L403-S407 PolarHBondContact O-N 2.96Å; L403-F556 HydrophobicContact CD2-CD1 4.25Å; L403-F556 HydrophobicContact CD2-CE1 3.95Å; L403-F556 HydrophobicContact CG-CE1 4.41Å
404	M	98.2	Very high	97.2	Very high	59 Å²	59	43.1 Å²	43.1	29%	0.291	23%	0.231	S	C	.	.	H	α-helix	trans	-67	-35.6	177.4	-66.6	-177.1	70.2	0	0	112.6	V357 T359 G400 H401 C402 S407 R410 F419	V357-M404 HydrophobicContact CB-CE 3.74Å; V357-M404 HydrophobicContact CB-SD 4.1Å; V357-M404 HydrophobicContact CG1-CE 3.59Å; V357-M404 HydrophobicContact CG1-SD 4.39Å; V357-M404 HydrophobicContact CG2-CE 4.41Å; V357-M404 HydrophobicContact CG2-SD 4.17Å; T359-M404 HydrophobicContact CG2-SD 3.75Å; G400-M404 WeakPolarHBondContact O-CG 3.49Å; G400-M404 PolarHBondContact O-N 2.92Å; G400-M404 VanDerWaalsContact O-N 3.14Å; H401-M404 PolarHBondContact O-N 3.22Å; C402-M404 VanDerWaalsContact C-N 3.32Å; C402-M404 PolarHBondContact O-N 3.4Å; M404-S407 PolarHBondContact O-OG 2.72Å; M404-S407 VanDerWaalsContact O-OG 3.11Å; M404-R410 PolarHBondContact O-NH2 3.47Å; M404-F419 HydrophobicContact CB-CE2 3.9Å
405	F	98.4	Very high	97.3	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-49.2	173.2	-175.2	-86.2	0	0	0	110.4	H401 C402 S407 R410 L415 L417 F451 L558 H559 P570	H401-F405 PolarHBondContact O-N 3.3Å; C402-F405 PolarHBondContact O-N 3.03Å; F405-S407 VanDerWaalsContact C-N 3.28Å; F405-S407 PolarHBondContact O-N 3.11Å; F405-R410 HydrophobicContact CD1-CG 4.18Å; F405-R410 HydrophobicContact CD2-CG 4.27Å; F405-R410 HydrophobicContact CE1-CB 4.26Å; F405-R410 HydrophobicContact CE1-CG 3.82Å; F405-R410 HydrophobicContact CE2-CB 4.36Å; F405-R410 HydrophobicContact CE2-CG 3.92Å; F405-R410 HydrophobicContact CG-CG 4.4Å; F405-R410 HydrophobicContact CZ-CB 3.87Å; F405-R410 HydrophobicContact CZ-CG 3.68Å; F405-R410 PolarHBondContact O-NE 3.42Å; F405-L415 HydrophobicContact CE2-CD2 3.99Å; F405-L415 HydrophobicContact CZ-CD2 4.5Å; F405-L417 HydrophobicContact CD2-CD2 4.17Å; F405-F451 HydrophobicContact CB-CD1 4.13Å; F405-F451 HydrophobicContact CB-CE1 3.76Å; F405-F451 HydrophobicContact CB-CE2 4.25Å; F405-F451 HydrophobicContact CB-CZ 3.84Å; F405-F451 HydrophobicContact CD1-CD1 4.47Å; F405-F451 HydrophobicContact CD2-CB 3.7Å; F405-F451 AromaticContact CD2-CD1 3.45Å; F405-F451 HydrophobicContact CD2-CD1 3.45Å; F405-F451 VanDerWaalsContact CD2-CD1 3.45Å; F405-F451 AromaticContact CD2-CD2 3.77Å; F405-F451 HydrophobicContact CD2-CD2 3.77Å; F405-F451 AromaticContact CD2-CE1 3.99Å; F405-F451 HydrophobicContact CD2-CE1 3.99Å; F405-F451 HydrophobicContact CD2-CE2 4.29Å; F405-F451 AromaticContact CD2-CG 3.33Å; F405-F451 HydrophobicContact CD2-CG 3.33Å; F405-F451 HydrophobicContact CD2-CZ 4.39Å; F405-F451 HydrophobicContact CE2-CB 3.52Å; F405-F451 AromaticContact CE2-CD1 3.91Å; F405-F451 HydrophobicContact CE2-CD1 3.91Å; F405-F451 HydrophobicContact CE2-CD2 4.47Å; F405-F451 AromaticContact CE2-CG 3.71Å; F405-F451 HydrophobicContact CE2-CG 3.71Å; F405-F451 AromaticContact CG-CD1 3.77Å; F405-F451 HydrophobicContact CG-CD1 3.77Å; F405-F451 AromaticContact CG-CE1 3.91Å; F405-F451 HydrophobicContact CG-CE1 3.91Å; F405-F451 HydrophobicContact CG-CG 4.1Å; F405-F451 HydrophobicContact CG-CZ 4.37Å; F405-F451 HydrophobicContact CZ-CB 4.49Å; F405-L558 HydrophobicContact CD1-CB 4.01Å; F405-L558 HydrophobicContact CD1-CD1 4.26Å; F405-L558 HydrophobicContact CD1-CD2 4.13Å; F405-L558 HydrophobicContact CD1-CG 4.38Å; F405-L558 HydrophobicContact CE1-CB 4.12Å; F405-H559 WeakPolarHBondContact CE1-O 3.35Å; F405-P570 HydrophobicContact CE1-CG 3.98Å; F405-P570 HydrophobicContact CE2-CG 4.49Å; F405-P570 HydrophobicContact CZ-CB 4.33Å; F405-P570 HydrophobicContact CZ-CG 3.83Å
406	A	97.7	Very high	97.4	Very high	56 Å²	56	45.6 Å²	45.6	46%	0.463	25%	0.246	S	C	.	.	H	α-helix	trans	-69.6	-16.8	-178.2	0	0	0	0	0	114.6	C402 L403 R408 L558	C402-A406 WeakPolarHBondContact O-CB 3.31Å; C402-A406 PolarHBondContact O-N 3.03Å; L403-A406 PolarHBondContact O-N 3.33Å; A406-R408 PolarHBondContact O-N 2.85Å; A406-L558 HydrophobicContact CB-CD2 3.79Å
407	S	97.2	Very high	97.5	Very high	94 Å²	94	45.3 Å²	45.3	66%	0.657	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.9	-173	80.5	0	0	0	0	114.6	L403 M404 F405	L403-S407 WeakPolarHBondContact O-CB 3.13Å; L403-S407 PolarHBondContact O-N 2.96Å; M404-S407 PolarHBondContact O-OG 2.72Å; M404-S407 VanDerWaalsContact O-OG 3.11Å; F405-S407 VanDerWaalsContact C-N 3.28Å; F405-S407 PolarHBondContact O-N 3.11Å
408	R	96.1	Very high	97.5	Very high	118 Å²	118	48.2 Å²	48.2	45%	0.445	26%	0.256	S	S	.	.	S	Bend	trans	-150.8	157.9	172.8	67.9	172.1	-178	83.3	-7.4	111	A406 R410 E414	A406-R408 PolarHBondContact O-N 2.85Å; R408-R410 PolarHBondContact O-N 2.92Å; R408-E414 IonicContact CZ-OE1 3.68Å; R408-E414 IonicContact CZ-OE2 3.32Å; R408-E414 IonicContact NH1-OE1 2.85Å; R408-E414 PolarHBondContact NH1-OE1 2.92Å; R408-E414 IonicContact NH1-OE2 3.24Å; R408-E414 PolarHBondContact NH1-OE2 3.46Å; R408-E414 IonicContact NH2-OE1 3.4Å; R408-E414 IonicContact NH2-OE2 3.75Å; R408-E414 PolarHBondContact NH2-OE2 3.17Å
409	P	96.7	Very high	97.6	Very high	118 Å²	118	48.9 Å²	48.9	77%	0.766	26%	0.259	S	S	*	.			trans	-53.7	137	169.7	-24.9	34.7	0	0	0	111.7
410	R	97.6	Very high	97.7	Very high	18 Å²	18	48.9 Å²	48.9	7%	0.068	26%	0.259	C	S	.	.			trans	-116.7	148.9	179.2	-57.8	-59.7	-178.6	159.8	0.7	110.1	M404 F405 R408 E414 Y560 T561	M404-R410 PolarHBondContact O-NH2 3.47Å; F405-R410 HydrophobicContact CD1-CG 4.18Å; F405-R410 HydrophobicContact CD2-CG 4.27Å; F405-R410 HydrophobicContact CE1-CB 4.26Å; F405-R410 HydrophobicContact CE1-CG 3.82Å; F405-R410 HydrophobicContact CE2-CB 4.36Å; F405-R410 HydrophobicContact CE2-CG 3.92Å; F405-R410 HydrophobicContact CG-CG 4.4Å; F405-R410 HydrophobicContact CZ-CB 3.87Å; F405-R410 HydrophobicContact CZ-CG 3.68Å; F405-R410 PolarHBondContact O-NE 3.42Å; R408-R410 PolarHBondContact O-N 2.92Å; R410-E414 IonicContact NH1-OE2 3.96Å; R410-E414 PolarHBondContact NH1-OE2 3.35Å; R410-E414 VanDerWaalsContact NH1-OE2 3.14Å; R410-Y560 CarbonylContact O-C 3.55Å; R410-Y560 VanDerWaalsContact O-CA 3.29Å; R410-Y560 WeakPolarHBondContact O-CA 3.43Å; R410-T561 PolarHBondContact O-N 3.07Å
411	T	97.6	Very high	97.7	Very high	57 Å²	57	48.9 Å²	48.9	35%	0.35	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-121	155.8	175.9	72.2	0	0	0	0	110.5	K413 E414 T561	T411-K413 PolarHBondContact O-N 3.07Å; T411-E414 WeakPolarHBondContact O-CB 3.37Å; T411-E414 PolarHBondContact O-N 3.09Å; T411-T561 WeakPolarHBondContact CA-O 3.24Å
412	F	96.9	Very high	97.6	Very high	53 Å²	53	49.7 Å²	49.7	23%	0.232	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-55.7	-25.4	179.8	75.7	-82	0	0	0	114	E414 L415 R453 Y560 T561 E563	F412-E414 PolarHBondContact O-N 3.24Å; F412-L415 PolarHBondContact O-N 3.43Å; F412-R453 PolarHBondContact O-NH1 3.44Å; F412-Y560 HydrophobicContact CB-CD2 3.82Å; F412-Y560 HydrophobicContact CB-CE2 3.77Å; F412-T561 PolarHBondContact N-O 2.68Å; F412-E563 HydrophobicContact CD1-CB 4.46Å; F412-E563 HydrophobicContact CE1-CB 3.85Å; F412-E563 HydrophobicContact CE2-CB 4.44Å; F412-E563 HydrophobicContact CZ-CB 3.82Å
413	K	96.6	Very high	97.5	Very high	167 Å²	167	50.1 Å²	50.1	73%	0.726	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-68.4	-20.7	178.4	-62.7	-179.7	-179.8	177	0	113.5	T411 L415	T411-K413 PolarHBondContact O-N 3.07Å; K413-L415 VanDerWaalsContact C-N 3.32Å
414	E	96.3	Very high	97.4	Very high	54 Å²	54	47.5 Å²	47.5	25%	0.252	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-83.2	-10.9	176	-63.2	-178	-133.1	0	0	112.5	R408 R410 T411 F412 P416	R408-E414 IonicContact CZ-OE1 3.68Å; R408-E414 IonicContact CZ-OE2 3.32Å; R408-E414 IonicContact NH1-OE1 2.85Å; R408-E414 PolarHBondContact NH1-OE1 2.92Å; R408-E414 IonicContact NH1-OE2 3.24Å; R408-E414 PolarHBondContact NH1-OE2 3.46Å; R408-E414 IonicContact NH2-OE1 3.4Å; R408-E414 IonicContact NH2-OE2 3.75Å; R408-E414 PolarHBondContact NH2-OE2 3.17Å; R410-E414 IonicContact NH1-OE2 3.96Å; R410-E414 PolarHBondContact NH1-OE2 3.35Å; R410-E414 VanDerWaalsContact NH1-OE2 3.14Å; T411-E414 WeakPolarHBondContact O-CB 3.37Å; T411-E414 PolarHBondContact O-N 3.09Å; F412-E414 PolarHBondContact O-N 3.24Å; E414-P416 CarbonylContact O-C 3.23Å
415	L	97.9	Very high	97.4	Very high	11 Å²	11	44.7 Å²	44.7	6%	0.058	24%	0.239	C	C	.	.			trans	-97.8	135.3	-173.6	-51.4	-174.4	0	0	0	111.4	F405 F412 K413 L417 F451 R453 Q456 Y560	F405-L415 HydrophobicContact CE2-CD2 3.99Å; F405-L415 HydrophobicContact CZ-CD2 4.5Å; F412-L415 PolarHBondContact O-N 3.43Å; K413-L415 VanDerWaalsContact C-N 3.32Å; L415-L417 HydrophobicContact CD2-CB 4.06Å; L415-F451 HydrophobicContact CD2-CB 4.29Å; L415-F451 WeakPolarHBondContact CD2-O 3.37Å; L415-R453 HydrophobicContact CB-CG 4.3Å; L415-R453 HydrophobicContact CD1-CG 3.91Å; L415-Q456 PolarHBondContact O-NE2 3.06Å; L415-Y560 HydrophobicContact CD1-CD1 3.53Å; L415-Y560 HydrophobicContact CD1-CD2 4.08Å; L415-Y560 HydrophobicContact CD1-CE1 3.79Å; L415-Y560 HydrophobicContact CD1-CE2 4.32Å; L415-Y560 HydrophobicContact CD1-CG 3.68Å
416	P	98	Very high	97.4	Very high	41 Å²	41	46.3 Å²	46.3	27%	0.266	25%	0.247	S	C	.	.	S	Bend	cis	-81.8	132.2	10.7	33.3	-32	0	0	0	112.3	E414 F451 C452 E460	E414-P416 CarbonylContact O-C 3.23Å; P416-F451 WeakPolarHBondContact CA-O 3.34Å; P416-C452 HydrophobicContact CB-CB 4.04Å; P416-E460 HydrophobicContact CB-CG 4.15Å; P416-E460 VanDerWaalsContact CG-OE1 3.28Å; P416-E460 WeakPolarHBondContact CG-OE1 3.49Å
417	L	98.1	Very high	97.3	Very high	19 Å²	19	46.7 Å²	46.7	10%	0.099	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	109.1	175.2	178.1	62.3	0	0	0	109.2	F405 L415 F419 H450 F451	F405-L417 HydrophobicContact CD2-CD2 4.17Å; L415-L417 HydrophobicContact CD2-CB 4.06Å; L417-F419 HydrophobicContact CD1-CD1 4.3Å; L417-F419 HydrophobicContact CD1-CE1 3.85Å; L417-F419 HydrophobicContact CD1-CZ 4.39Å; L417-F419 HydrophobicContact CD2-CE1 3.92Å; L417-F419 HydrophobicContact CD2-CE2 4.07Å; L417-F419 HydrophobicContact CD2-CZ 3.59Å; L417-F419 HydrophobicContact CG-CD1 4.29Å; L417-F419 HydrophobicContact CG-CE1 3.95Å; L417-F419 HydrophobicContact CG-CZ 4.11Å; L417-H450 WeakPolarHBondContact O-CA 3.42Å; L417-F451 HydrophobicContact CB-CB 4.38Å; L417-F451 PolarHBondContact N-O 3.06Å; L417-F451 PolarHBondContact O-N 3.33Å
418	R	98.3	Very high	97.1	Very high	62 Å²	62	45 Å²	45	23%	0.234	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	91.6	-173.6	-55.8	175.4	-176.1	148.4	3	110.9	R352 Y354 K355 H450 E460	R352-R418 PolarHBondContact O-NH1 2.96Å; Y354-R418 HydrophobicContact CD1-CB 3.59Å; Y354-R418 HydrophobicContact CE1-CB 3.84Å; Y354-R418 HydrophobicContact CE1-CG 4.5Å; Y354-R418 HydrophobicContact CG-CB 4.15Å; K355-R418 PolarHBondContact N-O 2.88Å; R418-H450 HydrophobicContact CG-CB 4.27Å; R418-E460 IonicContact CZ-OE1 3.5Å; R418-E460 IonicContact CZ-OE2 2.72Å; R418-E460 IonicContact NE-OE1 3.52Å; R418-E460 IonicContact NE-OE2 3.6Å; R418-E460 PolarHBondContact NE-OE2 3.29Å; R418-E460 IonicContact NH2-OE1 3.56Å; R418-E460 PolarHBondContact NH2-OE1 3.44Å; R418-E460 IonicContact NH2-OE2 3.76Å; R418-E460 PolarHBondContact NH2-OE2 2.93Å
419	F	98.5	Very high	96.7	Very high	16 Å²	16	40.3 Å²	40.3	7%	0.07	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	126.9	173.1	-71.9	-29.1	0	0	0	110.5	K355 V357 H401 M404 L417 A448 H449 F451	K355-F419 HydrophobicContact CB-CD1 4.26Å; K355-F419 WeakPolarHBondContact O-CA 3.31Å; V357-F419 HydrophobicContact CG1-CB 4.39Å; V357-F419 HydrophobicContact CG1-CD1 3.62Å; V357-F419 HydrophobicContact CG1-CE1 4.02Å; V357-F419 HydrophobicContact CG1-CG 4.03Å; V357-F419 HydrophobicContact CG2-CB 4.16Å; V357-F419 HydrophobicContact CG2-CG 4.49Å; H401-F419 HydrophobicContact CB-CD2 4.29Å; M404-F419 HydrophobicContact CB-CE2 3.9Å; L417-F419 HydrophobicContact CD1-CD1 4.3Å; L417-F419 HydrophobicContact CD1-CE1 3.85Å; L417-F419 HydrophobicContact CD1-CZ 4.39Å; L417-F419 HydrophobicContact CD2-CE1 3.92Å; L417-F419 HydrophobicContact CD2-CE2 4.07Å; L417-F419 HydrophobicContact CD2-CZ 3.59Å; L417-F419 HydrophobicContact CG-CD1 4.29Å; L417-F419 HydrophobicContact CG-CE1 3.95Å; L417-F419 HydrophobicContact CG-CZ 4.11Å; F419-A448 CarbonylContact O-C 3.43Å; F419-A448 WeakPolarHBondContact O-CA 3.35Å; F419-A448 WeakPolarHBondContact O-CB 3.43Å; F419-H449 PolarHBondContact N-O 3.33Å; F419-H449 PolarHBondContact O-N 2.93Å; F419-F451 HydrophobicContact CD2-CD2 4.35Å; F419-F451 AromaticContact CD2-CE2 3.73Å; F419-F451 HydrophobicContact CD2-CE2 3.73Å; F419-F451 HydrophobicContact CE2-CE2 4.19Å
420	A	98.3	Very high	95.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.8	173.3	0	0	0	0	0	110.2	Y349 Y354 K355 E356 V357 D447 A448	Y349-A420 HydrophobicContact CD2-CB 3.89Å; Y349-A420 HydrophobicContact CE2-CB 3.52Å; Y354-A420 HydrophobicContact CD1-CB 3.96Å; Y354-A420 HydrophobicContact CG-CB 4.45Å; K355-A420 PolarHBondContact O-N 3.49Å; E356-A420 CarbonylContact C-O 3.56Å; E356-A420 VanDerWaalsContact CA-O 3.25Å; E356-A420 WeakPolarHBondContact CA-O 3.27Å; V357-A420 PolarHBondContact N-O 2.65Å; A420-D447 CarbonylContact C-O 3.46Å; A420-D447 WeakPolarHBondContact CA-O 3.32Å; A420-A448 HydrophobicContact CB-CB 4.28Å
421	D	97.8	Very high	94.9	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	116.8	-171.4	-168.7	-12.8	0	0	0	111	V357 T359 H401 G423 Q445 D447	V357-D421 HydrophobicContact CG2-CB 3.94Å; T359-D421 WeakPolarHBondContact CB-OD2 3.49Å; T359-D421 VanDerWaalsContact CG2-OD2 3.25Å; T359-D421 WeakPolarHBondContact CG2-OD2 3.5Å; T359-D421 PolarHBondContact OG1-OD2 3.43Å; H401-D421 IonicContact CD2-OD2 3.59Å; H401-D421 VanDerWaalsContact CE1-CB 3.43Å; H401-D421 WeakPolarHBondContact CE1-CB 3.43Å; H401-D421 IonicContact CE1-OD2 2.7Å; H401-D421 VanDerWaalsContact NE2-CB 3.25Å; H401-D421 WeakPolarHBondContact NE2-CB 3.43Å; H401-D421 IonicContact NE2-OD2 3.14Å; H401-D421 PolarHBondContact NE2-OD2 3.48Å; D421-G423 PolarHBondContact O-N 3.14Å; D421-G423 WeakPolarHBondContact OD1-CA 3.19Å; D421-G423 PolarHBondContact OD1-N 2.89Å; D421-Q445 VanDerWaalsContact O-O 3.07Å; D421-D447 PolarHBondContact N-O 3.09Å; D421-D447 PolarHBondContact O-N 3.12Å
422	F	96.7	Very high	93.7	Very high	17 Å²	17	45.6 Å²	45.6	8%	0.075	25%	0.249	C	C	.	.			trans	-86.8	36.3	169.5	-68.6	-75.6	0	0	0	111.4	V342 L345 R346 Y349 Q444 Q445 D446 I581	V342-F422 HydrophobicContact CG1-CD2 4.03Å; V342-F422 HydrophobicContact CG1-CE1 4.45Å; V342-F422 HydrophobicContact CG1-CE2 3.82Å; V342-F422 HydrophobicContact CG1-CG 4.44Å; V342-F422 HydrophobicContact CG1-CZ 4.05Å; V342-F422 HydrophobicContact CG2-CD1 4.28Å; V342-F422 HydrophobicContact CG2-CE1 4.17Å; L345-F422 HydrophobicContact CB-CZ 4.09Å; L345-F422 HydrophobicContact CD1-CE1 3.95Å; L345-F422 HydrophobicContact CD1-CZ 3.82Å; R346-F422 HydrophobicContact CG-CE2 4.3Å; Y349-F422 HydrophobicContact CD2-CE2 4.41Å; Y349-F422 AromaticContact CE2-CE2 3.55Å; Y349-F422 HydrophobicContact CE2-CE2 3.55Å; Y349-F422 AromaticContact CE2-CZ 3.81Å; Y349-F422 HydrophobicContact CE2-CZ 3.81Å; F422-Q444 WeakPolarHBondContact O-CG 3.35Å; F422-Q444 PolarHBondContact O-NE2 3.09Å; F422-Q445 WeakPolarHBondContact CA-O 3.26Å; F422-D446 HydrophobicContact CD1-CB 4.33Å; F422-D446 HydrophobicContact CE1-CB 3.56Å; F422-D446 HydrophobicContact CZ-CB 4.18Å; F422-I581 HydrophobicContact CE1-CD1 4.17Å
423	G	95.7	Very high	92.6	Very high	8 Å²	8	44.6 Å²	44.6	8%	0.082	25%	0.251	C	S	.	.			trans	-60.6	146	-176.7	0	0	0	0	0	112.7	D421 L425	D421-G423 PolarHBondContact O-N 3.14Å; D421-G423 WeakPolarHBondContact OD1-CA 3.19Å; D421-G423 PolarHBondContact OD1-N 2.89Å; G423-L425 PolarHBondContact O-N 2.9Å
424	V	97.4	Very high	92.1	Very high	26 Å²	26	38.7 Å²	38.7	16%	0.158	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	119	176.5	-176	0	0	0	0	110	K394 R442 Q444	K394-V424 WeakPolarHBondContact CE-O 3.43Å; V424-R442 HydrophobicContact CG1-CG 3.81Å; V424-Q444 HydrophobicContact CB-CG 4.4Å; V424-Q444 HydrophobicContact CG2-CG 3.91Å
425	L	97.9	Very high	91.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	147.8	-179.8	-58.6	-176.6	0	0	0	110.9	K394 N397 G423 R442 F443 Q445	K394-L425 HydrophobicContact CD-CD2 3.75Å; K394-L425 HydrophobicContact CG-CD2 3.94Å; K394-L425 WeakPolarHBondContact O-CA 3.25Å; N397-L425 WeakPolarHBondContact OD1-CD2 3.38Å; G423-L425 PolarHBondContact O-N 2.9Å; L425-R442 WeakPolarHBondContact O-CA 3.4Å; L425-F443 HydrophobicContact CB-CD2 4.15Å; L425-F443 HydrophobicContact CB-CE1 4.11Å; L425-F443 HydrophobicContact CB-CE2 3.69Å; L425-F443 HydrophobicContact CB-CZ 3.62Å; L425-F443 HydrophobicContact CD1-CD2 4.39Å; L425-F443 HydrophobicContact CD1-CE2 3.65Å; L425-F443 HydrophobicContact CD1-CZ 4.13Å; L425-F443 HydrophobicContact CG-CE2 4.24Å; L425-F443 PolarHBondContact N-O 2.82Å; L425-F443 PolarHBondContact O-N 3.02Å; L425-F443 VanDerWaalsContact O-N 3.07Å; L425-Q445 HydrophobicContact CD1-CB 4.31Å; L425-Q445 HydrophobicContact CD1-CG 3.98Å
426	H	97.6	Very high	91.4	Very high	35 Å²	35	38.4 Å²	38.4	16%	0.162	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.9	175.4	-64.5	81.6	0	0	0	111.9	F382 L393 K394 P395 R441	F382-H426 HydrophobicContact CD2-CB 3.77Å; F382-H426 HydrophobicContact CE2-CB 4.09Å; L393-H426 HydrophobicContact CB-CB 3.79Å; L393-H426 HydrophobicContact CD1-CB 4.03Å; K394-H426 PolarHBondContact O-N 2.91Å; P395-H426 VanDerWaalsContact CA-O 3.24Å; P395-H426 WeakPolarHBondContact CA-O 3.12Å; P395-H426 VanDerWaalsContact CB-O 3.3Å; P395-H426 WeakPolarHBondContact CB-O 3.46Å; H426-R441 CarbonylContact C-O 3.34Å; H426-R441 WeakPolarHBondContact CA-O 3.22Å
427	R	95.5	Very high	91.2	Very high	64 Å²	64	36.4 Å²	36.4	24%	0.242	22%	0.221	C	C	.	.			trans	-123.2	128.2	173.9	-68.3	176.8	-179.6	165.1	14.4	109.1	Y377 F382 P395 E429 R441 F443	Y377-R427 HydrophobicContact CE1-CG 4.44Å; Y377-R427 WeakPolarHBondContact OH-CD 3.31Å; Y377-R427 WeakPolarHBondContact OH-CG 3.33Å; F382-R427 VanDerWaalsContact CE2-C 3.49Å; F382-R427 WeakPolarHBondContact CE2-O 3.27Å; P395-R427 HydrophobicContact CB-CG 3.85Å; P395-R427 PolarHBondContact O-NE 2.77Å; P395-R427 VanDerWaalsContact O-NE 3.1Å; P395-R427 PolarHBondContact O-NH2 2.9Å; R427-E429 HydrophobicContact CB-CG 4.2Å; R427-E429 PolarHBondContact O-N 3.04Å; R427-R441 PolarHBondContact N-O 2.99Å; R427-R441 WeakPolarHBondContact O-CA 3.39Å; R427-R441 WeakPolarHBondContact O-CG 3.3Å; R427-F443 HydrophobicContact CB-CE1 4.18Å; R427-F443 HydrophobicContact CG-CE1 3.82Å; R427-F443 HydrophobicContact CG-CZ 3.89Å
428	N	93.3	Very high	90.9	Very high	58 Å²	58	36.7 Å²	36.7	31%	0.31	22%	0.224	S	C	.	.			trans	-76.5	66.2	177.3	-172.7	25.4	0	0	0	110.5	N380 F382	N380-N428 PolarHBondContact O-N 3.13Å; F382-N428 HydrophobicContact CD1-CB 4.22Å; F382-N428 HydrophobicContact CD2-CB 4.21Å; F382-N428 HydrophobicContact CE1-CB 4.03Å; F382-N428 WeakPolarHBondContact CE1-OD1 3.23Å; F382-N428 HydrophobicContact CE2-CB 4.05Å; F382-N428 HydrophobicContact CG-CB 4.31Å; F382-N428 HydrophobicContact CZ-CB 3.95Å
429	E	87.7	Confident	90.6	Very high	19 Å²	19	39 Å²	39	9%	0.089	23%	0.232	C	C	.	.			trans	-66	138	174.7	-66.9	-66.7	163.4	0	0	110.4	R427 S431 L434 R439 R441	R427-E429 HydrophobicContact CB-CG 4.2Å; R427-E429 PolarHBondContact O-N 3.04Å; E429-S431 PolarHBondContact O-N 3.32Å; E429-L434 HydrophobicContact CB-CD2 3.76Å; E429-R439 HydrophobicContact CG-CG 4.43Å; E429-R439 IonicContact OE1-NE 2.75Å; E429-R439 IonicContact OE1-NH2 2.71Å; E429-R439 IonicContact OE2-CZ 2.88Å; E429-R439 IonicContact OE2-NE 2.85Å; E429-R439 PolarHBondContact OE2-NE 3.38Å; E429-R439 IonicContact OE2-NH2 3.97Å; E429-R439 PolarHBondContact OE2-NH2 3.06Å; E429-R441 HydrophobicContact CB-CG 4.24Å; E429-R441 PolarHBondContact O-NE 2.84Å; E429-R441 PolarHBondContact O-NH2 2.83Å
430	L	79.8	Confident	90.5	Very high	136 Å²	136	38.6 Å²	38.6	71%	0.712	23%	0.231	S	C	*	.			trans	-58.9	137	174.2	-65	175.4	0	0	0	109.5	G432 A433	L430-G432 PolarHBondContact O-N 2.99Å; L430-G432 VanDerWaalsContact O-N 3.11Å; L430-A433 HydrophobicContact CB-CB 4.43Å; L430-A433 WeakPolarHBondContact O-CB 3.2Å; L430-A433 PolarHBondContact O-N 2.88Å
431	S	77.7	Confident	90.3	Very high	85 Å²	85	40.2 Å²	40.2	59%	0.594	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-55.7	-35.7	-175.4	-56.1	0	0	0	0	112.8	E429 A433 L434 R441	E429-S431 PolarHBondContact O-N 3.32Å; S431-A433 VanDerWaalsContact C-N 3.28Å; S431-A433 PolarHBondContact O-N 3.05Å; S431-L434 PolarHBondContact O-N 3.13Å; S431-R441 PolarHBondContact OG-NH2 3.15Å
432	G	71.2	Confident	90.3	Very high	83 Å²	83	42.8 Å²	42.8	86%	0.856	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-73.3	-12.8	177.2	0	0	0	0	0	115.3	L430	L430-G432 PolarHBondContact O-N 2.99Å; L430-G432 VanDerWaalsContact O-N 3.11Å
433	A	75.2	Confident	90.4	Very high	32 Å²	32	42.4 Å²	42.4	26%	0.264	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-92.5	-12.4	175.8	0	0	0	0	0	112.9	L430 S431 R439	L430-A433 HydrophobicContact CB-CB 4.43Å; L430-A433 WeakPolarHBondContact O-CB 3.2Å; L430-A433 PolarHBondContact O-N 2.88Å; S431-A433 VanDerWaalsContact C-N 3.28Å; S431-A433 PolarHBondContact O-N 3.05Å; A433-R439 VanDerWaalsContact O-CD 3.26Å; A433-R439 WeakPolarHBondContact O-CD 3.16Å
434	L	84.8	Confident	90.4	Very high	44 Å²	44	43.9 Å²	43.9	23%	0.23	25%	0.25	C	S	.	.			trans	-66.5	136.3	179.3	-58.7	175.2	0	0	0	110.7	E429 S431 R441	E429-L434 HydrophobicContact CB-CD2 3.76Å; S431-L434 PolarHBondContact O-N 3.13Å; L434-R441 HydrophobicContact CD2-CG 4.01Å
435	S	87	Confident	90.4	Very high	43 Å²	43	44 Å²	44	30%	0.301	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-150	93.8	-177.8	174.7	0	0	0	0	110.9	L437 T438 R439	S435-L437 PolarHBondContact O-N 3.11Å; S435-T438 PolarHBondContact O-N 2.83Å; S435-T438 PolarHBondContact O-OG1 3.03Å; S435-T438 PolarHBondContact OG-OG1 3.23Å; S435-R439 PolarHBondContact N-O 3.21Å; S435-R439 VanDerWaalsContact N-O 3.11Å; S435-R439 PolarHBondContact O-N 3.34Å
436	G	92	Very high	90.3	Very high	15 Å²	15	44 Å²	44	16%	0.155	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	-131.7	180	0	0	0	0	0	111.6	H308 F320 V440	H308-G436 WeakPolarHBondContact NE2-CA 3.39Å; F320-G436 VanDerWaalsContact CZ-C 3.46Å; F320-G436 WeakPolarHBondContact CZ-O 3.36Å; G436-V440 WeakPolarHBondContact O-CG1 3.39Å
437	L	95.6	Very high	90.3	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-9.8	176.1	-70.3	-177.8	0	0	0	114.1	H308 F318 F320 A328 F330 S435 E582 R583 I585 A586	H308-L437 PolarHBondContact NE2-N 2.87Å; F318-L437 HydrophobicContact CD1-CD1 3.53Å; F318-L437 HydrophobicContact CD1-CG 4.25Å; F318-L437 HydrophobicContact CD2-CD1 4.35Å; F318-L437 HydrophobicContact CD2-CD2 4.38Å; F318-L437 HydrophobicContact CD2-CG 4.18Å; F318-L437 HydrophobicContact CE1-CD1 3.32Å; F318-L437 HydrophobicContact CE1-CG 4Å; F318-L437 HydrophobicContact CE2-CD1 4.18Å; F318-L437 HydrophobicContact CE2-CG 3.93Å; F318-L437 HydrophobicContact CG-CD1 4.07Å; F318-L437 HydrophobicContact CG-CD2 4.47Å; F318-L437 HydrophobicContact CG-CG 4.34Å; F318-L437 HydrophobicContact CZ-CD1 3.69Å; F318-L437 HydrophobicContact CZ-CG 3.84Å; F320-L437 HydrophobicContact CE2-CD2 4.32Å; F320-L437 HydrophobicContact CZ-CD2 3.98Å; A328-L437 HydrophobicContact CB-CD2 3.43Å; A328-L437 VanDerWaalsContact CB-CD2 3.43Å; F330-L437 HydrophobicContact CE1-CD1 4.21Å; F330-L437 HydrophobicContact CE2-CD2 4.43Å; F330-L437 HydrophobicContact CZ-CD1 4.13Å; F330-L437 HydrophobicContact CZ-CD2 3.86Å; S435-L437 PolarHBondContact O-N 3.11Å; L437-E582 HydrophobicContact CB-CB 4.35Å; L437-E582 WeakPolarHBondContact CB-O 3.19Å; L437-E582 HydrophobicContact CD2-CB 4.04Å; L437-E582 HydrophobicContact CD2-CG 4.14Å; L437-E582 CarbonylContact O-C 3.41Å; L437-R583 WeakPolarHBondContact O-CA 3.27Å; L437-R583 PolarHBondContact O-N 3.4Å; L437-I585 HydrophobicContact CD1-CB 4.19Å; L437-I585 HydrophobicContact CD1-CG2 3.86Å; L437-A586 HydrophobicContact CB-CB 3.83Å
438	T	91.9	Very high	90.4	Very high	24 Å²	24	40 Å²	40	15%	0.147	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-27.2	-178.7	60.5	0	0	0	0	112.7	S435 R583 A586	S435-T438 PolarHBondContact O-N 2.83Å; S435-T438 PolarHBondContact O-OG1 3.03Å; S435-T438 PolarHBondContact OG-OG1 3.23Å; T438-R583 PolarHBondContact O-NE 2.86Å; T438-R583 PolarHBondContact O-NH2 3.29Å; T438-A586 HydrophobicContact CG2-CB 3.67Å
439	R	91.7	Very high	90.6	Very high	111 Å²	111	37.3 Å²	37.3	42%	0.419	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-145.1	111.7	174.7	-168.7	158.1	-177.9	164.5	6	111	E429 A433 S435	E429-R439 HydrophobicContact CG-CG 4.43Å; E429-R439 IonicContact OE1-NE 2.75Å; E429-R439 IonicContact OE1-NH2 2.71Å; E429-R439 IonicContact OE2-CZ 2.88Å; E429-R439 IonicContact OE2-NE 2.85Å; E429-R439 PolarHBondContact OE2-NE 3.38Å; E429-R439 IonicContact OE2-NH2 3.97Å; E429-R439 PolarHBondContact OE2-NH2 3.06Å; A433-R439 VanDerWaalsContact O-CD 3.26Å; A433-R439 WeakPolarHBondContact O-CD 3.16Å; S435-R439 PolarHBondContact N-O 3.21Å; S435-R439 VanDerWaalsContact N-O 3.11Å; S435-R439 PolarHBondContact O-N 3.34Å
440	V	95.1	Very high	91.2	Very high	8 Å²	8	36.5 Å²	36.5	5%	0.048	22%	0.215	C	C	.	.			trans	-133.1	162.4	-170.6	-70	0	0	0	0	110.8	F320 G326 G436 R442 F443 E582	F320-V440 HydrophobicContact CE1-CG1 4.11Å; F320-V440 HydrophobicContact CZ-CG1 4.03Å; G326-V440 CarbonylContact O-C 3.52Å; G326-V440 WeakPolarHBondContact O-CA 3.1Å; G326-V440 VanDerWaalsContact O-CB 3.23Å; G326-V440 WeakPolarHBondContact O-CB 3.16Å; G436-V440 WeakPolarHBondContact O-CG1 3.39Å; V440-R442 VanDerWaalsContact CG2-O 3.31Å; V440-R442 WeakPolarHBondContact CG2-O 2.98Å; V440-F443 HydrophobicContact CG2-CB 3.73Å; V440-F443 HydrophobicContact CG2-CD1 4.06Å; V440-F443 HydrophobicContact CG2-CG 4.22Å; V440-E582 HydrophobicContact CG2-CB 4.41Å
441	R	95.8	Very high	92	Very high	34 Å²	34	30 Å²	30	13%	0.128	18%	0.181	C	C	.	.	S	Bend	trans	-87	-35.1	175.3	-76.9	170	169.4	169.7	6.6	112.7	P325 G326 F382 H426 R427 E429 S431 L434	P325-R441 VanDerWaalsContact O-CD 3.28Å; P325-R441 WeakPolarHBondContact O-CD 3.5Å; G326-R441 PolarHBondContact O-N 2.65Å; F382-R441 HydrophobicContact CE2-CB 4.32Å; F382-R441 HydrophobicContact CZ-CB 4.23Å; F382-R441 HydrophobicContact CZ-CG 4.11Å; H426-R441 CarbonylContact C-O 3.34Å; H426-R441 WeakPolarHBondContact CA-O 3.22Å; R427-R441 PolarHBondContact N-O 2.99Å; R427-R441 WeakPolarHBondContact O-CA 3.39Å; R427-R441 WeakPolarHBondContact O-CG 3.3Å; E429-R441 HydrophobicContact CB-CG 4.24Å; E429-R441 PolarHBondContact O-NE 2.84Å; E429-R441 PolarHBondContact O-NH2 2.83Å; S431-R441 PolarHBondContact OG-NH2 3.15Å; L434-R441 HydrophobicContact CD2-CG 4.01Å
442	R	96.9	Very high	93	Very high	56 Å²	56	26 Å²	26	21%	0.211	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.3	174.6	178.5	-86.7	176.9	-158.3	1.7	109.4	V424 L425 V440 Q444 E582	V424-R442 HydrophobicContact CG1-CG 3.81Å; L425-R442 WeakPolarHBondContact O-CA 3.4Å; V440-R442 VanDerWaalsContact CG2-O 3.31Å; V440-R442 WeakPolarHBondContact CG2-O 2.98Å; R442-Q444 VanDerWaalsContact NH2-OE1 3.08Å; R442-E582 IonicContact CZ-OE1 2.76Å; R442-E582 IonicContact NH1-OE1 3.02Å; R442-E582 PolarHBondContact NH1-OE1 3.31Å
443	F	97.8	Very high	94.2	Very high	10 Å²	10	24.4 Å²	24.4	4%	0.044	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	168	176.4	55.1	-77.5	0	0	0	112	L425 R427 V440 Q445 E582	L425-F443 HydrophobicContact CB-CD2 4.15Å; L425-F443 HydrophobicContact CB-CE1 4.11Å; L425-F443 HydrophobicContact CB-CE2 3.69Å; L425-F443 HydrophobicContact CB-CZ 3.62Å; L425-F443 HydrophobicContact CD1-CD2 4.39Å; L425-F443 HydrophobicContact CD1-CE2 3.65Å; L425-F443 HydrophobicContact CD1-CZ 4.13Å; L425-F443 HydrophobicContact CG-CE2 4.24Å; L425-F443 PolarHBondContact N-O 2.82Å; L425-F443 PolarHBondContact O-N 3.02Å; L425-F443 VanDerWaalsContact O-N 3.07Å; R427-F443 HydrophobicContact CB-CE1 4.18Å; R427-F443 HydrophobicContact CG-CE1 3.82Å; R427-F443 HydrophobicContact CG-CZ 3.89Å; V440-F443 HydrophobicContact CG2-CB 3.73Å; V440-F443 HydrophobicContact CG2-CD1 4.06Å; V440-F443 HydrophobicContact CG2-CG 4.22Å; F443-Q445 HydrophobicContact CD2-CG 3.64Å; F443-Q445 HydrophobicContact CE2-CG 3.59Å; F443-E582 WeakPolarHBondContact CA-OE1 3.4Å; F443-E582 WeakPolarHBondContact CA-OE2 3.39Å; F443-E582 HydrophobicContact CB-CG 4.39Å; F443-E582 VanDerWaalsContact CB-OE2 3.23Å; F443-E582 WeakPolarHBondContact CB-OE2 3.46Å
444	Q	97.4	Very high	95	Very high	39 Å²	39	27.4 Å²	27.4	18%	0.182	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.7	164.5	-58.4	172.4	-83.8	0	0	108.9	Y338 F422 V424 R442 S580 I581 E582	Y338-Q444 VanDerWaalsContact OH-CB 3.26Å; Y338-Q444 WeakPolarHBondContact OH-CB 3.43Å; Y338-Q444 VanDerWaalsContact OH-CD 3.28Å; Y338-Q444 WeakPolarHBondContact OH-CG 3.11Å; Y338-Q444 PolarHBondContact OH-OE1 2.91Å; F422-Q444 WeakPolarHBondContact O-CG 3.35Å; F422-Q444 PolarHBondContact O-NE2 3.09Å; V424-Q444 HydrophobicContact CB-CG 4.4Å; V424-Q444 HydrophobicContact CG2-CG 3.91Å; R442-Q444 VanDerWaalsContact NH2-OE1 3.08Å; Q444-S580 VanDerWaalsContact O-CA 3.29Å; Q444-S580 WeakPolarHBondContact O-CA 3.05Å; Q444-I581 PolarHBondContact O-N 3.17Å; Q444-E582 PolarHBondContact N-OE1 2.77Å; Q444-E582 PolarHBondContact N-OE2 2.94Å; Q444-E582 VanDerWaalsContact N-OE2 3.1Å
445	Q	95.8	Very high	95.4	Very high	29 Å²	29	30.4 Å²	30.4	14%	0.136	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-105.1	154.1	174.5	-65.3	-169.8	-99.8	0	0	110.3	D421 F422 L425 F443 D447 G579	D421-Q445 VanDerWaalsContact O-O 3.07Å; F422-Q445 WeakPolarHBondContact CA-O 3.26Å; L425-Q445 HydrophobicContact CD1-CB 4.31Å; L425-Q445 HydrophobicContact CD1-CG 3.98Å; F443-Q445 HydrophobicContact CD2-CG 3.64Å; F443-Q445 HydrophobicContact CE2-CG 3.59Å; Q445-D447 HydrophobicContact CB-CB 4.17Å; Q445-D447 PolarHBondContact O-N 3.28Å; Q445-G579 WeakPolarHBondContact CA-O 3.31Å; Q445-G579 VanDerWaalsContact CB-O 3.29Å; Q445-G579 WeakPolarHBondContact CB-O 3.37Å; Q445-G579 WeakPolarHBondContact CG-O 3.44Å
446	D	96.9	Very high	95.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.136	C	C	.	.			trans	-76.5	39.7	169.2	71.5	-51.6	0	0	0	112.1	L345 Y349 F422 R575 I577 L578 G579	L345-D446 HydrophobicContact CD1-CB 3.34Å; Y349-D446 PolarHBondContact OH-O 2.86Å; Y349-D446 VanDerWaalsContact OH-O 3.13Å; F422-D446 HydrophobicContact CD1-CB 4.33Å; F422-D446 HydrophobicContact CE1-CB 3.56Å; F422-D446 HydrophobicContact CZ-CB 4.18Å; D446-R575 PolarHBondContact O-NH1 2.85Å; D446-I577 PolarHBondContact OD1-N 2.77Å; D446-I577 WeakPolarHBondContact OD2-CA 3.24Å; D446-I577 VanDerWaalsContact OD2-CB 3.25Å; D446-I577 WeakPolarHBondContact OD2-CB 3Å; D446-I577 PolarHBondContact OD2-N 2.63Å; D446-L578 VanDerWaalsContact CG-N 3.35Å; D446-L578 PolarHBondContact OD1-N 3.4Å; D446-L578 PolarHBondContact OD2-N 2.92Å; D446-G579 PolarHBondContact N-O 2.9Å; D446-G579 PolarHBondContact OD1-N 3.49Å; D446-G579 VanDerWaalsContact OD1-O 3.08Å
447	D	96.7	Very high	95.9	Very high	13 Å²	13	28.7 Å²	28.7	7%	0.07	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	145.5	-165	-158.4	6.4	0	0	0	112.4	N397 A420 D421 Q445 H449	N397-D447 VanDerWaalsContact CB-OD2 3.32Å; N397-D447 WeakPolarHBondContact CB-OD2 3.47Å; N397-D447 PolarHBondContact N-OD2 3.21Å; N397-D447 VanDerWaalsContact ND2-CB 3.35Å; N397-D447 WeakPolarHBondContact ND2-CB 3.41Å; N397-D447 PolarHBondContact ND2-OD2 2.68Å; A420-D447 CarbonylContact C-O 3.46Å; A420-D447 WeakPolarHBondContact CA-O 3.32Å; D421-D447 PolarHBondContact N-O 3.09Å; D421-D447 PolarHBondContact O-N 3.12Å; Q445-D447 HydrophobicContact CB-CB 4.17Å; Q445-D447 PolarHBondContact O-N 3.28Å; D447-H449 IonicContact OD1-CE1 2.59Å; D447-H449 PolarHBondContact OD1-CE1 3.41Å; D447-H449 IonicContact OD1-NE2 2.91Å; D447-H449 IonicContact OD2-CE1 3.14Å; D447-H449 PolarHBondContact OD2-CE1 3.25Å
448	A	98.1	Very high	95.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	151.9	170	0	0	0	0	0	113.6	Y354 F419 A420 R575	Y354-A448 HydrophobicContact CD1-CB 4.18Å; Y354-A448 HydrophobicContact CE1-CB 3.75Å; F419-A448 CarbonylContact O-C 3.43Å; F419-A448 WeakPolarHBondContact O-CA 3.35Å; F419-A448 WeakPolarHBondContact O-CB 3.43Å; A420-A448 HydrophobicContact CB-CB 4.28Å; A448-R575 VanDerWaalsContact CB-NH1 3.33Å; A448-R575 PolarHBondContact N-O 3.48Å; A448-R575 PolarHBondContact O-N 2.62Å
449	H	98.4	Very high	95.9	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	114.8	-179.1	-60.1	88.7	0	0	0	108.8	C398 H401 F419 D447 F451 I572 V573 H574	C398-H449 WeakPolarHBondContact CB-NE2 3.45Å; H401-H449 HydrophobicContact CB-CB 4.27Å; H401-H449 AromaticContact CE1-ND1 3.4Å; H401-H449 PolarHBondContact CE1-ND1 3.21Å; H401-H449 AromaticContact CG-ND1 3.66Å; H401-H449 AromaticContact ND1-CE1 3.87Å; H401-H449 AromaticContact ND1-CG 3.52Å; H401-H449 AromaticContact ND1-ND1 2.8Å; H401-H449 PolarHBondContact ND1-ND1 3.12Å; F419-H449 PolarHBondContact N-O 3.33Å; F419-H449 PolarHBondContact O-N 2.93Å; D447-H449 IonicContact OD1-CE1 2.59Å; D447-H449 PolarHBondContact OD1-CE1 3.41Å; D447-H449 IonicContact OD1-NE2 2.91Å; D447-H449 IonicContact OD2-CE1 3.14Å; D447-H449 PolarHBondContact OD2-CE1 3.25Å; H449-F451 HydrophobicContact CB-CE2 4.19Å; H449-F451 HydrophobicContact CB-CZ 4.49Å; H449-I572 HydrophobicContact CB-CG2 4Å; H449-V573 WeakPolarHBondContact CA-O 3.42Å; H449-H574 AromaticContact CD2-CE1 3.48Å; H449-H574 PolarHBondContact CD2-CE1 3.41Å; H449-H574 VanDerWaalsContact CD2-CE1 3.48Å; H449-H574 AromaticContact CD2-CG 3.77Å; H449-H574 AromaticContact CD2-ND1 3.06Å; H449-H574 PolarHBondContact CD2-ND1 3.5Å; H449-H574 AromaticContact NE2-CE1 3.65Å; H449-H574 AromaticContact NE2-CG 3.94Å; H449-H574 AromaticContact NE2-ND1 2.99Å; H449-H574 PolarHBondContact NE2-ND1 3.02Å
450	H	98.4	Very high	96.1	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	110.8	177.7	-51.8	-169.7	0	0	0	107.9	Y354 L417 R418 C452 E460 C464 I572 V573	Y354-H450 AromaticContact CE1-CD2 3.85Å; Y354-H450 AromaticContact CE1-NE2 3.14Å; Y354-H450 WeakPolarHBondContact CE1-NE2 3.37Å; Y354-H450 AromaticContact CZ-CE1 3.8Å; Y354-H450 AromaticContact CZ-NE2 3.3Å; Y354-H450 VanDerWaalsContact CZ-NE2 3.3Å; Y354-H450 PolarHBondContact OH-CE1 2.89Å; Y354-H450 PolarHBondContact OH-NE2 3.01Å; L417-H450 WeakPolarHBondContact O-CA 3.42Å; R418-H450 HydrophobicContact CG-CB 4.27Å; H450-C452 PolarHBondContact O-N 3.39Å; H450-E460 IonicContact CE1-OE2 3.74Å; H450-E460 IonicContact CG-OE2 2.78Å; H450-E460 IonicContact ND1-OE2 3.32Å; H450-E460 PolarHBondContact ND1-OE2 3.22Å; H450-C464 PolarHBondContact CE1-SG 3.39Å; H450-I572 VanDerWaalsContact O-CA 3.3Å; H450-I572 WeakPolarHBondContact O-CA 3.23Å; H450-V573 HydrophobicContact CB-CB 4.06Å; H450-V573 PolarHBondContact N-O 2.81Å; H450-V573 PolarHBondContact O-N 2.63Å
451	F	98.6	Very high	96.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	110.8	168.7	-58.2	-93	0	0	0	107.2	H401 F405 L415 P416 L417 F419 H449 L558 P570 V571 I572	H401-F451 HydrophobicContact CB-CE2 4.24Å; H401-F451 HydrophobicContact CB-CZ 4.07Å; F405-F451 HydrophobicContact CB-CD1 4.13Å; F405-F451 HydrophobicContact CB-CE1 3.76Å; F405-F451 HydrophobicContact CB-CE2 4.25Å; F405-F451 HydrophobicContact CB-CZ 3.84Å; F405-F451 HydrophobicContact CD1-CD1 4.47Å; F405-F451 HydrophobicContact CD2-CB 3.7Å; F405-F451 AromaticContact CD2-CD1 3.45Å; F405-F451 HydrophobicContact CD2-CD1 3.45Å; F405-F451 VanDerWaalsContact CD2-CD1 3.45Å; F405-F451 AromaticContact CD2-CD2 3.77Å; F405-F451 HydrophobicContact CD2-CD2 3.77Å; F405-F451 AromaticContact CD2-CE1 3.99Å; F405-F451 HydrophobicContact CD2-CE1 3.99Å; F405-F451 HydrophobicContact CD2-CE2 4.29Å; F405-F451 AromaticContact CD2-CG 3.33Å; F405-F451 HydrophobicContact CD2-CG 3.33Å; F405-F451 HydrophobicContact CD2-CZ 4.39Å; F405-F451 HydrophobicContact CE2-CB 3.52Å; F405-F451 AromaticContact CE2-CD1 3.91Å; F405-F451 HydrophobicContact CE2-CD1 3.91Å; F405-F451 HydrophobicContact CE2-CD2 4.47Å; F405-F451 AromaticContact CE2-CG 3.71Å; F405-F451 HydrophobicContact CE2-CG 3.71Å; F405-F451 AromaticContact CG-CD1 3.77Å; F405-F451 HydrophobicContact CG-CD1 3.77Å; F405-F451 AromaticContact CG-CE1 3.91Å; F405-F451 HydrophobicContact CG-CE1 3.91Å; F405-F451 HydrophobicContact CG-CG 4.1Å; F405-F451 HydrophobicContact CG-CZ 4.37Å; F405-F451 HydrophobicContact CZ-CB 4.49Å; L415-F451 HydrophobicContact CD2-CB 4.29Å; L415-F451 WeakPolarHBondContact CD2-O 3.37Å; P416-F451 WeakPolarHBondContact CA-O 3.34Å; L417-F451 HydrophobicContact CB-CB 4.38Å; L417-F451 PolarHBondContact N-O 3.06Å; L417-F451 PolarHBondContact O-N 3.33Å; F419-F451 HydrophobicContact CD2-CD2 4.35Å; F419-F451 AromaticContact CD2-CE2 3.73Å; F419-F451 HydrophobicContact CD2-CE2 3.73Å; F419-F451 HydrophobicContact CE2-CE2 4.19Å; H449-F451 HydrophobicContact CB-CE2 4.19Å; H449-F451 HydrophobicContact CB-CZ 4.49Å; F451-L558 HydrophobicContact CD1-CD1 4.26Å; F451-L558 HydrophobicContact CE1-CD1 3.71Å; F451-P570 HydrophobicContact CB-CB 4.37Å; F451-P570 HydrophobicContact CD1-CG 4.38Å; F451-V571 WeakPolarHBondContact CA-O 3.32Å; F451-I572 HydrophobicContact CD1-CD1 4.11Å; F451-I572 HydrophobicContact CD1-CG1 3.77Å; F451-I572 HydrophobicContact CE1-CD1 3.55Å; F451-I572 HydrophobicContact CE1-CG1 3.74Å; F451-I572 HydrophobicContact CZ-CD1 4.25Å
452	C	98	Very high	96	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	164.1	-176.7	70.9	0	0	0	0	111.1	P416 H450 Q456 E460 P570 V571	P416-C452 HydrophobicContact CB-CB 4.04Å; H450-C452 PolarHBondContact O-N 3.39Å; C452-Q456 HydrophobicContact CB-CB 3.92Å; C452-E460 HydrophobicContact CB-CG 3.99Å; C452-P570 CarbonylContact O-C 3.44Å; C452-P570 WeakPolarHBondContact O-CA 3.45Å; C452-V571 PolarHBondContact N-O 3.35Å; C452-V571 PolarHBondContact O-N 2.96Å
453	R	96.2	Very high	95.9	Very high	50 Å²	50	33.5 Å²	33.5	19%	0.189	17%	0.165	C	C	.	.			trans	-76.7	164.4	168	-55.5	-169.5	-56.6	-82.9	-4.1	110	F412 L415 D455 Q456 Y560	F412-R453 PolarHBondContact O-NH1 3.44Å; L415-R453 HydrophobicContact CB-CG 4.3Å; L415-R453 HydrophobicContact CD1-CG 3.91Å; R453-D455 VanDerWaalsContact C-N 3.31Å; R453-D455 WeakPolarHBondContact CB-OD1 3.36Å; R453-D455 IonicContact CZ-OD1 3.59Å; R453-D455 IonicContact CZ-OD2 3.68Å; R453-D455 IonicContact NE-OD1 3.37Å; R453-D455 PolarHBondContact NE-OD1 3.13Å; R453-D455 IonicContact NE-OD2 2.76Å; R453-D455 PolarHBondContact NE-OD2 3.36Å; R453-D455 IonicContact NH2-OD1 3.27Å; R453-D455 IonicContact NH2-OD2 3.71Å; R453-D455 PolarHBondContact NH2-OD2 2.95Å; R453-D455 PolarHBondContact O-N 2.92Å; R453-Q456 HydrophobicContact CB-CG 4.17Å; R453-Q456 VanDerWaalsContact CZ-NE2 3.31Å; R453-Q456 WeakPolarHBondContact O-CB 3.18Å; R453-Q456 PolarHBondContact O-N 3.26Å; R453-Y560 HydrophobicContact CG-CE1 4.33Å; R453-Y560 HydrophobicContact CG-CE2 4.16Å; R453-Y560 WeakPolarHBondContact CG-OH 3.15Å
454	H	92.6	Very high	95.9	Very high	95 Å²	95	33 Å²	33	44%	0.44	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-59.4	-41.4	178.2	-167.7	-81.8	0	0	0	112	Q456 I457 D499 Q503	H454-Q456 PolarHBondContact O-N 3.38Å; H454-Q456 VanDerWaalsContact O-N 3.1Å; H454-I457 HydrophobicContact CB-CD1 4.44Å; H454-I457 WeakPolarHBondContact O-CD1 3.41Å; H454-I457 WeakPolarHBondContact O-CG1 3.29Å; H454-I457 PolarHBondContact O-N 2.84Å; H454-D499 IonicContact CE1-OD2 3.69Å; H454-D499 IonicContact NE2-OD2 3.71Å; H454-D499 PolarHBondContact NE2-OD2 2.81Å; H454-Q503 PolarHBondContact CE1-NE2 3.31Å; H454-Q503 PolarHBondContact NE2-NE2 2.96Å
455	D	93.5	Very high	95.7	Very high	108 Å²	108	31.2 Å²	31.2	58%	0.578	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-65.6	-13.6	176.9	64.2	-61.2	0	0	0	114.5	R453	R453-D455 VanDerWaalsContact C-N 3.31Å; R453-D455 WeakPolarHBondContact CB-OD1 3.36Å; R453-D455 IonicContact CZ-OD1 3.59Å; R453-D455 IonicContact CZ-OD2 3.68Å; R453-D455 IonicContact NE-OD1 3.37Å; R453-D455 PolarHBondContact NE-OD1 3.13Å; R453-D455 IonicContact NE-OD2 2.76Å; R453-D455 PolarHBondContact NE-OD2 3.36Å; R453-D455 IonicContact NH2-OD1 3.27Å; R453-D455 IonicContact NH2-OD2 3.71Å; R453-D455 PolarHBondContact NH2-OD2 2.95Å; R453-D455 PolarHBondContact O-N 2.92Å
456	Q	95.8	Very high	95.7	Very high	21 Å²	21	33.7 Å²	33.7	10%	0.098	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-98.8	-9.9	-178.1	-64	179.9	-48.1	0	0	113.4	L415 C452 R453 H454 R458 D459 E460	L415-Q456 PolarHBondContact O-NE2 3.06Å; C452-Q456 HydrophobicContact CB-CB 3.92Å; R453-Q456 HydrophobicContact CB-CG 4.17Å; R453-Q456 VanDerWaalsContact CZ-NE2 3.31Å; R453-Q456 WeakPolarHBondContact O-CB 3.18Å; R453-Q456 PolarHBondContact O-N 3.26Å; H454-Q456 PolarHBondContact O-N 3.38Å; H454-Q456 VanDerWaalsContact O-N 3.1Å; Q456-R458 VanDerWaalsContact C-N 3.33Å; Q456-R458 PolarHBondContact O-N 2.96Å; Q456-D459 PolarHBondContact O-N 2.78Å; Q456-E460 WeakPolarHBondContact O-CG 3.38Å; Q456-E460 PolarHBondContact O-N 3.06Å
457	I	93.6	Very high	95.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-56.9	-47.1	-171.4	-67.4	165.9	0	0	0	111.5	H454 D459 E460 I461 Q503 L548 F550 V571	H454-I457 HydrophobicContact CB-CD1 4.44Å; H454-I457 WeakPolarHBondContact O-CD1 3.41Å; H454-I457 WeakPolarHBondContact O-CG1 3.29Å; H454-I457 PolarHBondContact O-N 2.84Å; I457-D459 PolarHBondContact O-N 2.86Å; I457-E460 PolarHBondContact O-N 2.97Å; I457-I461 HydrophobicContact CG2-CD1 3.49Å; I457-I461 VanDerWaalsContact CG2-CD1 3.49Å; I457-I461 HydrophobicContact CG2-CG1 4.27Å; I457-I461 WeakPolarHBondContact O-CG1 3.34Å; I457-I461 PolarHBondContact O-N 2.94Å; I457-Q503 VanDerWaalsContact CD1-OE1 3.3Å; I457-L548 HydrophobicContact CD1-CD1 4.4Å; I457-L548 HydrophobicContact CG1-CD1 4.29Å; I457-L548 HydrophobicContact CG2-CD1 3.57Å; I457-L548 HydrophobicContact CG2-CD2 3.89Å; I457-L548 HydrophobicContact CG2-CG 4.42Å; I457-F550 HydrophobicContact CD1-CE1 4.31Å; I457-F550 HydrophobicContact CD1-CZ 4.1Å; I457-V571 HydrophobicContact CD1-CB 4.13Å; I457-V571 HydrophobicContact CD1-CG1 3.95Å; I457-V571 HydrophobicContact CD1-CG2 4.02Å; I457-V571 HydrophobicContact CG1-CB 4.24Å; I457-V571 HydrophobicContact CG1-CG1 4.18Å
458	R	91.5	Very high	95.6	Very high	128 Å²	128	33 Å²	33	48%	0.483	17%	0.165	S	C	.	.	H	α-helix	trans	-58.5	-50.6	-179.5	-179.5	177.2	172.4	-179.1	-4.5	112	Q456 E460 I461 E462 N510	Q456-R458 VanDerWaalsContact C-N 3.33Å; Q456-R458 PolarHBondContact O-N 2.96Å; R458-E460 VanDerWaalsContact C-N 3.27Å; R458-E460 PolarHBondContact O-N 3.39Å; R458-I461 PolarHBondContact O-N 3.36Å; R458-E462 HydrophobicContact CG-CG 4.41Å; R458-E462 WeakPolarHBondContact CG-OE1 3.44Å; R458-E462 IonicContact CZ-OE1 2.73Å; R458-E462 IonicContact NE-OE1 2.89Å; R458-E462 PolarHBondContact NE-OE1 3.5Å; R458-E462 IonicContact NH2-OE1 2.74Å; R458-E462 WeakPolarHBondContact O-CB 3.39Å; R458-E462 WeakPolarHBondContact O-CG 3.49Å; R458-E462 PolarHBondContact O-N 3.24Å; R458-N510 VanDerWaalsContact CZ-ND2 3.28Å; R458-N510 PolarHBondContact NE-ND2 3.26Å; R458-N510 PolarHBondContact NH2-ND2 2.9Å
459	D	94.3	Very high	95.4	Very high	105 Å²	105	36.9 Å²	36.9	56%	0.561	18%	0.182	S	C	*	.	H	α-helix	trans	-60.9	-37.8	179.3	-70.4	-6.2	0	0	0	111.5	Q456 I457 G463	Q456-D459 PolarHBondContact O-N 2.78Å; I457-D459 PolarHBondContact O-N 2.86Å; D459-G463 PolarHBondContact O-N 3.29Å
460	E	96.7	Very high	95.3	Very high	7 Å²	7	39.8 Å²	39.8	3%	0.033	20%	0.195	C	C	.	.	H	α-helix	trans	-67.6	-43.3	176.6	-68.1	-55.3	107.5	0	0	112	P416 R418 H450 C452 Q456 I457 R458 G463 C464 V573	P416-E460 HydrophobicContact CB-CG 4.15Å; P416-E460 VanDerWaalsContact CG-OE1 3.28Å; P416-E460 WeakPolarHBondContact CG-OE1 3.49Å; R418-E460 IonicContact CZ-OE1 3.5Å; R418-E460 IonicContact CZ-OE2 2.72Å; R418-E460 IonicContact NE-OE1 3.52Å; R418-E460 IonicContact NE-OE2 3.6Å; R418-E460 PolarHBondContact NE-OE2 3.29Å; R418-E460 IonicContact NH2-OE1 3.56Å; R418-E460 PolarHBondContact NH2-OE1 3.44Å; R418-E460 IonicContact NH2-OE2 3.76Å; R418-E460 PolarHBondContact NH2-OE2 2.93Å; H450-E460 IonicContact CE1-OE2 3.74Å; H450-E460 IonicContact CG-OE2 2.78Å; H450-E460 IonicContact ND1-OE2 3.32Å; H450-E460 PolarHBondContact ND1-OE2 3.22Å; C452-E460 HydrophobicContact CB-CG 3.99Å; Q456-E460 WeakPolarHBondContact O-CG 3.38Å; Q456-E460 PolarHBondContact O-N 3.06Å; I457-E460 PolarHBondContact O-N 2.97Å; R458-E460 VanDerWaalsContact C-N 3.27Å; R458-E460 PolarHBondContact O-N 3.39Å; E460-G463 PolarHBondContact O-N 3.32Å; E460-C464 PolarHBondContact O-N 3.1Å; E460-C464 PolarHBondContact O-SG 2.99Å; E460-V573 HydrophobicContact CB-CG2 4.09Å
461	I	94.7	Very high	95.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-47.8	177.2	-63.9	159.2	0	0	0	110.3	I457 R458 G463 C464 L465 L504 A507 I529 V546	I457-I461 HydrophobicContact CG2-CD1 3.49Å; I457-I461 VanDerWaalsContact CG2-CD1 3.49Å; I457-I461 HydrophobicContact CG2-CG1 4.27Å; I457-I461 WeakPolarHBondContact O-CG1 3.34Å; I457-I461 PolarHBondContact O-N 2.94Å; R458-I461 PolarHBondContact O-N 3.36Å; I461-G463 VanDerWaalsContact C-N 3.3Å; I461-G463 PolarHBondContact O-N 3.26Å; I461-C464 WeakPolarHBondContact O-CB 3.46Å; I461-C464 PolarHBondContact O-N 3.07Å; I461-L465 HydrophobicContact CG2-CD1 4.18Å; I461-L465 HydrophobicContact CG2-CG 4.43Å; I461-L465 WeakPolarHBondContact O-CG 3.49Å; I461-L465 PolarHBondContact O-N 3.26Å; I461-L504 HydrophobicContact CD1-CD2 3.67Å; I461-L504 HydrophobicContact CG1-CD2 4.16Å; I461-L504 HydrophobicContact CG2-CD2 4.32Å; I461-A507 HydrophobicContact CB-CB 4.04Å; I461-A507 HydrophobicContact CG2-CB 3.45Å; I461-A507 VanDerWaalsContact CG2-CB 3.45Å; I461-I529 HydrophobicContact CG2-CD1 4.01Å; I461-V546 HydrophobicContact CG1-CG1 4.41Å; I461-V546 HydrophobicContact CG2-CG1 4.33Å
462	E	93.7	Very high	94.9	Very high	60 Å²	60	39.7 Å²	39.7	28%	0.28	19%	0.194	S	C	.	.	H	α-helix	trans	-59.8	-41.2	177.7	-71.6	-179.9	-173.6	0	0	111	R458 C464 L465 D466 N510	R458-E462 HydrophobicContact CG-CG 4.41Å; R458-E462 WeakPolarHBondContact CG-OE1 3.44Å; R458-E462 IonicContact CZ-OE1 2.73Å; R458-E462 IonicContact NE-OE1 2.89Å; R458-E462 PolarHBondContact NE-OE1 3.5Å; R458-E462 IonicContact NH2-OE1 2.74Å; R458-E462 WeakPolarHBondContact O-CB 3.39Å; R458-E462 WeakPolarHBondContact O-CG 3.49Å; R458-E462 PolarHBondContact O-N 3.24Å; E462-C464 VanDerWaalsContact C-N 3.34Å; E462-C464 PolarHBondContact O-N 3.04Å; E462-L465 PolarHBondContact O-N 2.86Å; E462-D466 PolarHBondContact O-N 3.16Å; E462-N510 PolarHBondContact OE1-ND2 3.17Å
463	G	95.8	Very high	94.7	Very high	35 Å²	35	43.8 Å²	43.8	36%	0.361	22%	0.216	S	C	.	.	H	α-helix	trans	-64.2	-33.3	173.5	0	0	0	0	0	114.1	D459 E460 I461 F467	D459-G463 PolarHBondContact O-N 3.29Å; E460-G463 PolarHBondContact O-N 3.32Å; I461-G463 VanDerWaalsContact C-N 3.3Å; I461-G463 PolarHBondContact O-N 3.26Å; G463-F467 WeakPolarHBondContact O-CB 3.49Å; G463-F467 PolarHBondContact O-N 2.99Å; G463-F467 VanDerWaalsContact O-N 3.13Å
464	C	96.7	Very high	94.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.5	-42	172.8	-66.1	0	0	0	0	111.7	H450 E460 I461 E462 F467 L468 V546 R575	H450-C464 PolarHBondContact CE1-SG 3.39Å; E460-C464 PolarHBondContact O-N 3.1Å; E460-C464 PolarHBondContact O-SG 2.99Å; I461-C464 WeakPolarHBondContact O-CB 3.46Å; I461-C464 PolarHBondContact O-N 3.07Å; E462-C464 VanDerWaalsContact C-N 3.34Å; E462-C464 PolarHBondContact O-N 3.04Å; C464-F467 PolarHBondContact O-N 3.22Å; C464-L468 WeakPolarHBondContact O-CB 3.46Å; C464-L468 PolarHBondContact O-N 3.15Å; C464-V546 HydrophobicContact CB-CG1 4.23Å; C464-V546 HydrophobicContact CB-CG2 3.76Å; C464-R575 HydrophobicContact CB-CG 3.98Å
465	L	94.5	Very high	94.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.5	-40.4	178.4	-66.2	175.7	0	0	0	111.9	I461 E462 L468 K469 F511 I529	I461-L465 HydrophobicContact CG2-CD1 4.18Å; I461-L465 HydrophobicContact CG2-CG 4.43Å; I461-L465 WeakPolarHBondContact O-CG 3.49Å; I461-L465 PolarHBondContact O-N 3.26Å; E462-L465 PolarHBondContact O-N 2.86Å; L465-L468 WeakPolarHBondContact O-CB 3.26Å; L465-L468 PolarHBondContact O-N 3.34Å; L465-K469 PolarHBondContact O-N 3.34Å; L465-F511 HydrophobicContact CB-CD1 4.28Å; L465-F511 HydrophobicContact CB-CD2 3.7Å; L465-F511 HydrophobicContact CB-CE1 4.16Å; L465-F511 HydrophobicContact CB-CE2 3.61Å; L465-F511 HydrophobicContact CB-CG 4.04Å; L465-F511 HydrophobicContact CB-CZ 3.84Å; L465-F511 HydrophobicContact CD1-CB 3.9Å; L465-F511 HydrophobicContact CD1-CD1 4.22Å; L465-F511 HydrophobicContact CD1-CD2 4.28Å; L465-F511 HydrophobicContact CD1-CG 3.91Å; L465-F511 WeakPolarHBondContact O-CZ 3.37Å; L465-I529 HydrophobicContact CD1-CD1 4.45Å; L465-I529 HydrophobicContact CD2-CD1 4.34Å
466	D	94.9	Very high	94.5	Very high	81 Å²	81	34.5 Å²	34.5	43%	0.433	18%	0.183	S	C	.	.	H	α-helix	trans	-59.4	-46.2	171.3	171.7	77.3	0	0	0	111.7	R352 E462 L468 K469 F470	R352-D466 IonicContact CZ-OD2 2.76Å; R352-D466 IonicContact NE-OD2 3.94Å; R352-D466 IonicContact NH2-OD2 3.49Å; R352-D466 PolarHBondContact NH2-OD2 3.34Å; E462-D466 PolarHBondContact O-N 3.16Å; D466-L468 VanDerWaalsContact C-N 3.32Å; D466-L468 PolarHBondContact O-N 3.49Å; D466-K469 WeakPolarHBondContact O-CB 2.99Å; D466-K469 PolarHBondContact O-N 2.79Å; D466-F470 PolarHBondContact O-N 3.44Å
467	F	96.9	Very high	94.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-42.7	178.8	-175.2	-162.3	0	0	0	111.5	L345 Q348 Y349 Y354 G463 C464 F470 V471 I577	L345-F467 HydrophobicContact CD2-CE2 4.14Å; L345-F467 HydrophobicContact CD2-CZ 3.8Å; Q348-F467 HydrophobicContact CB-CD2 4.09Å; Q348-F467 HydrophobicContact CB-CE2 3.31Å; Q348-F467 HydrophobicContact CB-CZ 3.67Å; Q348-F467 HydrophobicContact CG-CD2 4.43Å; Q348-F467 HydrophobicContact CG-CE2 3.7Å; Q348-F467 HydrophobicContact CG-CZ 4.44Å; Y349-F467 HydrophobicContact CD1-CE1 4.03Å; Y349-F467 HydrophobicContact CD1-CZ 4.06Å; Y349-F467 AromaticContact CE1-CE1 3.75Å; Y349-F467 HydrophobicContact CE1-CE1 3.75Å; Y349-F467 AromaticContact CE1-CZ 3.88Å; Y349-F467 HydrophobicContact CE1-CZ 3.88Å; Y354-F467 HydrophobicContact CE2-CD1 4.36Å; Y354-F467 HydrophobicContact CE2-CE1 4.35Å; G463-F467 WeakPolarHBondContact O-CB 3.49Å; G463-F467 PolarHBondContact O-N 2.99Å; G463-F467 VanDerWaalsContact O-N 3.13Å; C464-F467 PolarHBondContact O-N 3.22Å; F467-F470 PolarHBondContact O-N 3.25Å; F467-V471 HydrophobicContact CD2-CG2 3.89Å; F467-V471 HydrophobicContact CE2-CG2 3.57Å; F467-V471 WeakPolarHBondContact O-CG2 3.37Å; F467-V471 PolarHBondContact O-N 3.01Å; F467-V471 VanDerWaalsContact O-N 3.12Å; F467-I577 HydrophobicContact CB-CD1 4.4Å; F467-I577 HydrophobicContact CD1-CD1 3.99Å; F467-I577 HydrophobicContact CD1-CG1 3.67Å; F467-I577 HydrophobicContact CE1-CG1 3.69Å; F467-I577 HydrophobicContact CG-CD1 4.25Å; F467-I577 HydrophobicContact CG-CG1 4.15Å; F467-I577 HydrophobicContact CZ-CG1 4.18Å
468	L	95.2	Very high	93.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.1	-49.7	173.6	-176.2	143.1	0	0	0	111.4	C464 L465 D466 F470 V471 Y472 F479 I531 A544 I577	C464-L468 WeakPolarHBondContact O-CB 3.46Å; C464-L468 PolarHBondContact O-N 3.15Å; L465-L468 WeakPolarHBondContact O-CB 3.26Å; L465-L468 PolarHBondContact O-N 3.34Å; D466-L468 VanDerWaalsContact C-N 3.32Å; D466-L468 PolarHBondContact O-N 3.49Å; L468-F470 VanDerWaalsContact C-N 3.35Å; L468-F470 PolarHBondContact O-N 3.48Å; L468-V471 PolarHBondContact O-N 3.2Å; L468-Y472 HydrophobicContact CD2-CD1 4.29Å; L468-Y472 HydrophobicContact CD2-CE1 4.49Å; L468-Y472 HydrophobicContact CD2-CG 4.31Å; L468-Y472 HydrophobicContact CG-CD2 4.18Å; L468-Y472 HydrophobicContact CG-CE2 4.17Å; L468-Y472 HydrophobicContact CG-CG 4.47Å; L468-Y472 WeakPolarHBondContact O-CB 3.3Å; L468-Y472 VanDerWaalsContact O-CD2 3.26Å; L468-Y472 WeakPolarHBondContact O-CD2 3.31Å; L468-Y472 PolarHBondContact O-N 3.27Å; L468-F479 HydrophobicContact CD2-CD2 4.21Å; L468-F479 HydrophobicContact CD2-CE1 4.21Å; L468-F479 HydrophobicContact CD2-CE2 3.79Å; L468-F479 HydrophobicContact CD2-CZ 3.78Å; L468-I531 HydrophobicContact CD1-CB 4.03Å; L468-I531 HydrophobicContact CD1-CD1 3.53Å; L468-I531 HydrophobicContact CD1-CG1 3.51Å; L468-I531 HydrophobicContact CD1-CG2 4.04Å; L468-I531 HydrophobicContact CD2-CG2 4.25Å; L468-A544 HydrophobicContact CD1-CB 3.4Å; L468-A544 HydrophobicContact CG-CB 4.49Å; L468-I577 HydrophobicContact CB-CD1 3.92Å
469	K	93.8	Very high	93.8	Very high	80 Å²	80	35.7 Å²	35.7	35%	0.348	20%	0.197	S	C	.	.	H	α-helix	trans	-55.5	-50.6	178.7	-160.1	-172.8	-177.3	-55.6	0	111.3	L465 D466 V471 Y472 D473 F511	L465-K469 PolarHBondContact O-N 3.34Å; D466-K469 WeakPolarHBondContact O-CB 2.99Å; D466-K469 PolarHBondContact O-N 2.79Å; K469-V471 VanDerWaalsContact C-N 3.3Å; K469-V471 PolarHBondContact O-N 3.12Å; K469-Y472 PolarHBondContact O-N 3.11Å; K469-D473 IonicContact NZ-OD1 3.41Å; K469-D473 PolarHBondContact NZ-OD1 3.47Å; K469-D473 IonicContact NZ-OD2 3.8Å; K469-D473 PolarHBondContact NZ-OD2 2.97Å; K469-D473 VanDerWaalsContact O-CB 3.25Å; K469-D473 WeakPolarHBondContact O-CB 3.16Å; K469-D473 PolarHBondContact O-N 3.11Å; K469-F511 HydrophobicContact CB-CE2 4.47Å; K469-F511 HydrophobicContact CB-CZ 4Å; K469-F511 HydrophobicContact CD-CZ 4.35Å; K469-F511 HydrophobicContact CG-CZ 4.35Å
470	F	95.7	Very high	93.7	Very high	64 Å²	64	35.7 Å²	35.7	28%	0.281	19%	0.192	S	C	.	.	H	α-helix	trans	-55.5	-46.3	179.7	172.3	-91.9	0	0	0	111.8	F344 Q348 D466 F467 L468 T474 Y699	F344-F470 AromaticContact CE2-CE1 3.73Å; F344-F470 HydrophobicContact CE2-CE1 3.73Å; F344-F470 HydrophobicContact CE2-CZ 4.32Å; F344-F470 HydrophobicContact CZ-CD1 4.34Å; F344-F470 AromaticContact CZ-CE1 3.72Å; F344-F470 HydrophobicContact CZ-CE1 3.72Å; Q348-F470 HydrophobicContact CG-CD1 4.1Å; Q348-F470 HydrophobicContact CG-CE1 3.82Å; D466-F470 PolarHBondContact O-N 3.44Å; F467-F470 PolarHBondContact O-N 3.25Å; L468-F470 VanDerWaalsContact C-N 3.35Å; L468-F470 PolarHBondContact O-N 3.48Å; F470-T474 WeakPolarHBondContact O-CB 3.23Å; F470-T474 PolarHBondContact O-N 2.9Å; F470-T474 VanDerWaalsContact O-N 3.15Å; F470-T474 PolarHBondContact O-OG1 3.4Å; F470-Y699 HydrophobicContact CZ-CD2 4.46Å; F470-Y699 HydrophobicContact CZ-CE2 4.25Å
471	V	96.2	Very high	93.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.3	-43.5	-179.3	169.9	0	0	0	0	111.5	F344 L345 F467 L468 K469 T474 F475 I577 L578	F344-V471 HydrophobicContact CE1-CB 4.22Å; F344-V471 HydrophobicContact CE1-CG1 3.88Å; F344-V471 HydrophobicContact CE1-CG2 3.74Å; F344-V471 HydrophobicContact CZ-CB 4.5Å; F344-V471 HydrophobicContact CZ-CG2 4.02Å; L345-V471 HydrophobicContact CD2-CG2 4.09Å; F467-V471 HydrophobicContact CD2-CG2 3.89Å; F467-V471 HydrophobicContact CE2-CG2 3.57Å; F467-V471 WeakPolarHBondContact O-CG2 3.37Å; F467-V471 PolarHBondContact O-N 3.01Å; F467-V471 VanDerWaalsContact O-N 3.12Å; L468-V471 PolarHBondContact O-N 3.2Å; K469-V471 VanDerWaalsContact C-N 3.3Å; K469-V471 PolarHBondContact O-N 3.12Å; V471-T474 WeakPolarHBondContact O-CB 3.4Å; V471-T474 PolarHBondContact O-N 3Å; V471-F475 HydrophobicContact CG1-CD2 3.93Å; V471-F475 HydrophobicContact CG1-CE2 3.47Å; V471-F475 VanDerWaalsContact CG1-CE2 3.47Å; V471-F475 HydrophobicContact CG1-CZ 4.4Å; V471-F475 VanDerWaalsContact O-CD2 3.23Å; V471-F475 WeakPolarHBondContact O-CD2 3.25Å; V471-F475 PolarHBondContact O-N 2.98Å; V471-I577 HydrophobicContact CB-CG2 3.66Å; V471-I577 HydrophobicContact CG1-CG2 3.74Å; V471-I577 HydrophobicContact CG2-CG2 3.77Å; V471-L578 HydrophobicContact CG1-CD2 3.64Å
472	Y	93.8	Very high	93.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-76.6	-36.4	-173	-77.7	-140.5	0	0	0	111.1	L468 K469 T474 F475 G476 F477 F479 I531 V533 C543 A544 I577	L468-Y472 HydrophobicContact CD2-CD1 4.29Å; L468-Y472 HydrophobicContact CD2-CE1 4.49Å; L468-Y472 HydrophobicContact CD2-CG 4.31Å; L468-Y472 HydrophobicContact CG-CD2 4.18Å; L468-Y472 HydrophobicContact CG-CE2 4.17Å; L468-Y472 HydrophobicContact CG-CG 4.47Å; L468-Y472 WeakPolarHBondContact O-CB 3.3Å; L468-Y472 VanDerWaalsContact O-CD2 3.26Å; L468-Y472 WeakPolarHBondContact O-CD2 3.31Å; L468-Y472 PolarHBondContact O-N 3.27Å; K469-Y472 PolarHBondContact O-N 3.11Å; Y472-T474 VanDerWaalsContact C-N 3.29Å; Y472-T474 PolarHBondContact O-N 3.02Å; Y472-F475 PolarHBondContact O-N 3.33Å; Y472-G476 WeakPolarHBondContact O-CA 3.21Å; Y472-G476 PolarHBondContact O-N 3.27Å; Y472-F477 HydrophobicContact CD1-CB 4.36Å; Y472-F477 PolarHBondContact O-N 3.47Å; Y472-F479 HydrophobicContact CD1-CB 4Å; Y472-F479 AromaticContact CD1-CD1 3.71Å; Y472-F479 HydrophobicContact CD1-CD1 3.71Å; Y472-F479 HydrophobicContact CD1-CE1 4.42Å; Y472-F479 AromaticContact CD1-CG 3.98Å; Y472-F479 HydrophobicContact CD1-CG 3.98Å; Y472-F479 HydrophobicContact CE1-CB 4.28Å; Y472-F479 HydrophobicContact CG-CD1 4.32Å; Y472-I531 HydrophobicContact CE1-CG2 3.76Å; Y472-V533 HydrophobicContact CD1-CG2 3.89Å; Y472-V533 HydrophobicContact CE1-CG2 3.14Å; Y472-C543 WeakPolarHBondContact OH-CB 3.48Å; Y472-A544 WeakPolarHBondContact OH-CB 3.09Å; Y472-A544 PolarHBondContact OH-N 3.37Å; Y472-I577 HydrophobicContact CD2-CG2 4.42Å; Y472-I577 HydrophobicContact CE2-CG2 3.98Å; Y472-I577 WeakPolarHBondContact CE2-O 3.33Å; Y472-I577 PolarHBondContact OH-O 3.14Å
473	D	92.9	Very high	93.7	Very high	85 Å²	85	35.1 Å²	35.1	46%	0.455	19%	0.188	S	C	.	.	H	α-helix	trans	-60.6	-39.6	169.4	-71.6	-10.8	0	0	0	111.1	K469 F475 G476	K469-D473 IonicContact NZ-OD1 3.41Å; K469-D473 PolarHBondContact NZ-OD1 3.47Å; K469-D473 IonicContact NZ-OD2 3.8Å; K469-D473 PolarHBondContact NZ-OD2 2.97Å; K469-D473 VanDerWaalsContact O-CB 3.25Å; K469-D473 WeakPolarHBondContact O-CB 3.16Å; K469-D473 PolarHBondContact O-N 3.11Å; D473-F475 VanDerWaalsContact C-N 3.34Å; D473-F475 PolarHBondContact O-N 3.11Å; D473-G476 WeakPolarHBondContact O-CA 3.21Å; D473-G476 PolarHBondContact O-N 2.98Å
474	T	95.3	Very high	93.7	Very high	23 Å²	23	33.5 Å²	33.5	14%	0.141	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-40.6	178.4	-61.2	0	0	0	0	111.7	F344 F470 V471 Y472 G476 W599 Y699	F344-T474 HydrophobicContact CE2-CG2 4.2Å; F344-T474 HydrophobicContact CZ-CG2 4.05Å; F470-T474 WeakPolarHBondContact O-CB 3.23Å; F470-T474 PolarHBondContact O-N 2.9Å; F470-T474 VanDerWaalsContact O-N 3.15Å; F470-T474 PolarHBondContact O-OG1 3.4Å; V471-T474 WeakPolarHBondContact O-CB 3.4Å; V471-T474 PolarHBondContact O-N 3Å; Y472-T474 VanDerWaalsContact C-N 3.29Å; Y472-T474 PolarHBondContact O-N 3.02Å; T474-G476 VanDerWaalsContact C-N 3.32Å; T474-W599 HydrophobicContact CG2-CZ2 4.17Å; T474-Y699 VanDerWaalsContact CG2-CB 3.49Å; T474-Y699 HydrophobicContact CG2-CD2 4.32Å; T474-Y699 HydrophobicContact CG2-CG 3.96Å
475	F	93.3	Very high	93.6	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-77	-22.2	172.5	-61.5	-50.5	0	0	0	112.7	L341 F344 V471 Y472 D473 F477 L578 M584 L588 W599 K701	L341-F475 HydrophobicContact CD2-CE1 3.99Å; L341-F475 HydrophobicContact CD2-CZ 3.65Å; F344-F475 HydrophobicContact CD1-CZ 4.47Å; F344-F475 HydrophobicContact CE1-CZ 4.23Å; V471-F475 HydrophobicContact CG1-CD2 3.93Å; V471-F475 HydrophobicContact CG1-CE2 3.47Å; V471-F475 VanDerWaalsContact CG1-CE2 3.47Å; V471-F475 HydrophobicContact CG1-CZ 4.4Å; V471-F475 VanDerWaalsContact O-CD2 3.23Å; V471-F475 WeakPolarHBondContact O-CD2 3.25Å; V471-F475 PolarHBondContact O-N 2.98Å; Y472-F475 PolarHBondContact O-N 3.33Å; D473-F475 VanDerWaalsContact C-N 3.34Å; D473-F475 PolarHBondContact O-N 3.11Å; F475-F477 HydrophobicContact CB-CD2 3.51Å; F475-F477 HydrophobicContact CB-CE2 3.56Å; F475-F477 HydrophobicContact CB-CG 4.16Å; F475-F477 HydrophobicContact CB-CZ 4.24Å; F475-F477 AromaticContact CD2-CD2 3.92Å; F475-F477 HydrophobicContact CD2-CD2 3.92Å; F475-F477 AromaticContact CD2-CE2 3.69Å; F475-F477 HydrophobicContact CD2-CE2 3.69Å; F475-F477 HydrophobicContact CG-CD2 4.12Å; F475-F477 AromaticContact CG-CE2 3.84Å; F475-F477 HydrophobicContact CG-CE2 3.84Å; F475-L578 HydrophobicContact CE2-CD2 3.72Å; F475-L578 HydrophobicContact CZ-CD2 4.28Å; F475-M584 HydrophobicContact CE2-SD 4.32Å; F475-L588 HydrophobicContact CB-CD2 4.09Å; F475-L588 HydrophobicContact CD1-CD1 4.42Å; F475-L588 HydrophobicContact CD1-CD2 3.49Å; F475-L588 VanDerWaalsContact CD1-CD2 3.49Å; F475-L588 HydrophobicContact CD2-CD2 4.25Å; F475-L588 HydrophobicContact CE1-CD1 3.96Å; F475-L588 HydrophobicContact CE1-CD2 3.9Å; F475-L588 HydrophobicContact CG-CD2 3.7Å; F475-L588 HydrophobicContact CZ-CD1 4.14Å; F475-L588 HydrophobicContact CZ-CD2 4.45Å; F475-W599 HydrophobicContact CD1-CH2 4.41Å; F475-W599 HydrophobicContact CD1-CZ2 4.04Å; F475-W599 AromaticContact CE1-CH2 3.55Å; F475-W599 HydrophobicContact CE1-CH2 3.55Å; F475-W599 AromaticContact CE1-CZ2 3.63Å; F475-W599 HydrophobicContact CE1-CZ2 3.63Å; F475-W599 HydrophobicContact CZ-CH2 4.24Å; F475-K701 PolarHBondContact O-NZ 3.11Å
476	G	89.9	Confident	93.5	Very high	35 Å²	35	37.3 Å²	37.3	36%	0.361	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	50.7	-170.9	0	0	0	0	0	111.5	Y472 D473 T474 K701	Y472-G476 WeakPolarHBondContact O-CA 3.21Å; Y472-G476 PolarHBondContact O-N 3.27Å; D473-G476 WeakPolarHBondContact O-CA 3.21Å; D473-G476 PolarHBondContact O-N 2.98Å; T474-G476 VanDerWaalsContact C-N 3.32Å; G476-K701 PolarHBondContact O-NZ 2.82Å
477	F	88.8	Confident	93.3	Very high	8 Å²	8	34 Å²	34	4%	0.035	17%	0.171	C	C	.	.			trans	-90.9	137.5	171.1	-73.7	-48.6	0	0	0	111.1	Y472 F475 V533 M584 V587 L588 N591	Y472-F477 HydrophobicContact CD1-CB 4.36Å; Y472-F477 PolarHBondContact O-N 3.47Å; F475-F477 HydrophobicContact CB-CD2 3.51Å; F475-F477 HydrophobicContact CB-CE2 3.56Å; F475-F477 HydrophobicContact CB-CG 4.16Å; F475-F477 HydrophobicContact CB-CZ 4.24Å; F475-F477 AromaticContact CD2-CD2 3.92Å; F475-F477 HydrophobicContact CD2-CD2 3.92Å; F475-F477 AromaticContact CD2-CE2 3.69Å; F475-F477 HydrophobicContact CD2-CE2 3.69Å; F475-F477 HydrophobicContact CG-CD2 4.12Å; F475-F477 AromaticContact CG-CE2 3.84Å; F475-F477 HydrophobicContact CG-CE2 3.84Å; F477-V533 HydrophobicContact CB-CG1 4.01Å; F477-V533 HydrophobicContact CD1-CG1 3.61Å; F477-V533 HydrophobicContact CD2-CG1 4.09Å; F477-V533 HydrophobicContact CE1-CG1 4.01Å; F477-V533 HydrophobicContact CE2-CG1 4.46Å; F477-V533 HydrophobicContact CG-CG1 3.66Å; F477-V533 HydrophobicContact CZ-CG1 4.43Å; F477-M584 HydrophobicContact CE2-CE 4.47Å; F477-M584 HydrophobicContact CE2-SD 3.92Å; F477-M584 HydrophobicContact CZ-SD 4.39Å; F477-V587 HydrophobicContact CE1-CG1 3.85Å; F477-V587 HydrophobicContact CZ-CG1 3.67Å; F477-L588 HydrophobicContact CE1-CD2 4.49Å; F477-L588 HydrophobicContact CE2-CD2 3.7Å; F477-L588 HydrophobicContact CE2-CG 4.47Å; F477-L588 HydrophobicContact CZ-CD2 3.42Å; F477-L588 VanDerWaalsContact CZ-CD2 3.42Å; F477-L588 HydrophobicContact CZ-CG 4.1Å; F477-N591 HydrophobicContact CE1-CB 3.73Å; F477-N591 VanDerWaalsContact CE1-CG 3.44Å; F477-N591 HydrophobicContact CZ-CB 4.4Å
478	D	86.8	Confident	92.8	Very high	126 Å²	126	42.2 Å²	42.2	67%	0.674	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	140.2	160.1	-65.3	-39.8	0	0	0	108.9	L534	D478-L534 PolarHBondContact O-N 2.68Å
479	F	90.8	Very high	92.4	Very high	39 Å²	39	46.7 Å²	46.7	17%	0.171	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	155.8	178.1	64.1	-88.5	0	0	0	112.4	L468 Y472 L481 F511 L513 I531 I532	L468-F479 HydrophobicContact CD2-CD2 4.21Å; L468-F479 HydrophobicContact CD2-CE1 4.21Å; L468-F479 HydrophobicContact CD2-CE2 3.79Å; L468-F479 HydrophobicContact CD2-CZ 3.78Å; Y472-F479 HydrophobicContact CD1-CB 4Å; Y472-F479 AromaticContact CD1-CD1 3.71Å; Y472-F479 HydrophobicContact CD1-CD1 3.71Å; Y472-F479 HydrophobicContact CD1-CE1 4.42Å; Y472-F479 AromaticContact CD1-CG 3.98Å; Y472-F479 HydrophobicContact CD1-CG 3.98Å; Y472-F479 HydrophobicContact CE1-CB 4.28Å; Y472-F479 HydrophobicContact CG-CD1 4.32Å; F479-L481 HydrophobicContact CD2-CD2 3.92Å; F479-L481 HydrophobicContact CD2-CG 4.2Å; F479-L481 HydrophobicContact CE2-CD1 4.38Å; F479-L481 HydrophobicContact CE2-CD2 3.82Å; F479-L481 HydrophobicContact CE2-CG 4.04Å; F479-F511 HydrophobicContact CZ-CE1 4.49Å; F479-L513 HydrophobicContact CE2-CD1 3.68Å; F479-L513 HydrophobicContact CZ-CD1 3.51Å; F479-I531 HydrophobicContact CB-CG2 3.87Å; F479-I531 HydrophobicContact CD2-CG2 3.8Å; F479-I531 HydrophobicContact CG-CG2 4.06Å; F479-I532 VanDerWaalsContact CA-O 3.27Å; F479-I532 WeakPolarHBondContact CA-O 3.45Å
480	K	91.7	Very high	92.1	Very high	106 Å²	106	45.9 Å²	45.9	46%	0.461	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.2	173.1	-67.4	-177	179.6	-179	0	109.9	Y482 I531 I532	K480-Y482 HydrophobicContact CB-CD2 4.33Å; K480-Y482 HydrophobicContact CB-CE2 3.58Å; K480-Y482 HydrophobicContact CD-CE2 4.37Å; K480-I531 WeakPolarHBondContact O-CA 3.41Å; K480-I532 PolarHBondContact N-O 2.98Å; K480-I532 PolarHBondContact O-N 3.26Å
481	L	94.3	Very high	91.7	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.8	177.5	-61.9	175.3	0	0	0	109.8	F479 L508 F511 L513 W515 T516 I529 I531	F479-L481 HydrophobicContact CD2-CD2 3.92Å; F479-L481 HydrophobicContact CD2-CG 4.2Å; F479-L481 HydrophobicContact CE2-CD1 4.38Å; F479-L481 HydrophobicContact CE2-CD2 3.82Å; F479-L481 HydrophobicContact CE2-CG 4.04Å; L481-L508 HydrophobicContact CB-CD2 4.16Å; L481-L508 HydrophobicContact CD1-CD2 3.89Å; L481-L508 HydrophobicContact CG-CD2 4.49Å; L481-F511 HydrophobicContact CD1-CD1 3.81Å; L481-F511 HydrophobicContact CD1-CE1 4.09Å; L481-L513 HydrophobicContact CD1-CB 3.91Å; L481-L513 HydrophobicContact CD1-CD1 4.43Å; L481-W515 HydrophobicContact CB-CB 3.76Å; L481-W515 CarbonylContact O-C 3.58Å; L481-W515 WeakPolarHBondContact O-CA 3.43Å; L481-T516 PolarHBondContact O-N 3.44Å; L481-I529 HydrophobicContact CD2-CG2 4.19Å; L481-I531 HydrophobicContact CD2-CB 4.45Å; L481-I531 HydrophobicContact CD2-CG1 3.54Å; L481-I531 HydrophobicContact CD2-CG2 4.4Å
482	Y	94.8	Very high	91.3	Very high	48 Å²	48	46.1 Å²	46.1	19%	0.188	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.4	175.5	-67.1	-96.1	0	0	0	110.3	K480 T516 N518 I529 D530 I532	K480-Y482 HydrophobicContact CB-CD2 4.33Å; K480-Y482 HydrophobicContact CB-CE2 3.58Å; K480-Y482 HydrophobicContact CD-CE2 4.37Å; Y482-T516 CarbonylContact C-O 3.59Å; Y482-T516 WeakPolarHBondContact CA-O 3.43Å; Y482-T516 HydrophobicContact CD1-CG2 4.15Å; Y482-T516 HydrophobicContact CE1-CG2 3.98Å; Y482-N518 HydrophobicContact CD1-CB 4.2Å; Y482-I529 CarbonylContact O-C 3.49Å; Y482-I529 VanDerWaalsContact O-CA 3.29Å; Y482-I529 WeakPolarHBondContact O-CA 3.36Å; Y482-D530 PolarHBondContact N-O 2.79Å; Y482-D530 PolarHBondContact O-N 3.21Å; Y482-I532 HydrophobicContact CD2-CD1 3.73Å; Y482-I532 HydrophobicContact CD2-CG1 3.84Å; Y482-I532 HydrophobicContact CE2-CB 4.14Å; Y482-I532 HydrophobicContact CE2-CD1 3.41Å; Y482-I532 VanDerWaalsContact CE2-CD1 3.41Å; Y482-I532 HydrophobicContact CE2-CG1 3.77Å
483	L	96.1	Very high	91.2	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	105	169.2	179.1	59.8	0	0	0	108.6	T485 L504 K505 L508 W515 T516 L517 N518	L483-T485 HydrophobicContact CG-CG2 4.37Å; L483-L504 HydrophobicContact CD1-CB 3.74Å; L483-L504 HydrophobicContact CD1-CD1 4.24Å; L483-K505 HydrophobicContact CD2-CB 3.9Å; L483-K505 HydrophobicContact CD2-CG 4.32Å; L483-L508 HydrophobicContact CB-CD1 3.79Å; L483-L508 HydrophobicContact CD1-CD1 4.2Å; L483-L508 HydrophobicContact CG-CD1 4.39Å; L483-W515 HydrophobicContact CB-CE3 3.8Å; L483-W515 HydrophobicContact CB-CZ3 3.79Å; L483-W515 HydrophobicContact CD2-CH2 4.1Å; L483-W515 HydrophobicContact CD2-CZ3 3.94Å; L483-T516 PolarHBondContact N-O 3.37Å; L483-L517 HydrophobicContact CB-CD1 4.35Å; L483-L517 HydrophobicContact CD2-CD1 4.2Å; L483-L517 HydrophobicContact CG-CD1 4.29Å; L483-N518 PolarHBondContact O-N 3.46Å
484	S	95.3	Very high	91.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.2	-179.6	-59.9	0	0	0	0	110.5	N518 P527 K528 D530	S484-N518 VanDerWaalsContact CA-O 3.29Å; S484-N518 WeakPolarHBondContact CA-O 3.36Å; S484-N518 PolarHBondContact OG-ND2 2.78Å; S484-N518 VanDerWaalsContact OG-ND2 3.15Å; S484-P527 WeakPolarHBondContact O-CA 3.2Å; S484-K528 PolarHBondContact N-O 3.18Å; S484-K528 PolarHBondContact O-N 3.17Å; S484-D530 WeakPolarHBondContact CB-OD2 3.31Å; S484-D530 PolarHBondContact OG-OD2 3.43Å
485	T	94	Very high	91	Very high	20 Å²	20	56.8 Å²	56.8	12%	0.123	30%	0.298	C	S	.	.			trans	-93.2	177.3	-172.8	62.1	0	0	0	0	112.8	L483 E501 L517 N518 A519 G520 D521 G522	L483-T485 HydrophobicContact CG-CG2 4.37Å; T485-E501 VanDerWaalsContact CB-OE1 3.31Å; T485-E501 WeakPolarHBondContact CB-OE1 3.48Å; T485-E501 HydrophobicContact CG2-CG 4.25Å; T485-L517 HydrophobicContact CG2-CD1 3.69Å; T485-N518 PolarHBondContact N-O 2.86Å; T485-A519 WeakPolarHBondContact OG1-CA 3.49Å; T485-G520 CarbonylContact O-C 3.46Å; T485-G520 PolarHBondContact OG1-N 2.6Å; T485-D521 PolarHBondContact O-N 3.01Å; T485-G522 VanDerWaalsContact O-CA 3.32Å; T485-G522 WeakPolarHBondContact O-CA 3.47Å; T485-G522 PolarHBondContact O-N 3.49Å
486	R	93.2	Very high	90.8	Very high	60 Å²	60	58.3 Å²	58.3	23%	0.226	31%	0.307	C	S	.	.			trans	-48.2	128.6	-173.7	77.4	-161.4	82	-166.8	15.3	114.6	F490 W497 N498 E501 G520	R486-F490 HydrophobicContact CB-CB 4.47Å; R486-W497 HydrophobicContact CB-CD2 3.85Å; R486-W497 HydrophobicContact CB-CE3 3.39Å; R486-W497 HydrophobicContact CB-CH2 4.03Å; R486-W497 HydrophobicContact CB-CZ2 4.49Å; R486-W497 HydrophobicContact CB-CZ3 3.49Å; R486-W497 VanDerWaalsContact CB-CZ3 3.49Å; R486-N498 VanDerWaalsContact CZ-OD1 3.23Å; R486-N498 PolarHBondContact NH1-OD1 2.86Å; R486-N498 PolarHBondContact NH2-OD1 2.92Å; R486-E501 IonicContact CZ-OE1 2.68Å; R486-E501 IonicContact CZ-OE2 2.78Å; R486-E501 PolarHBondContact N-OE1 2.75Å; R486-E501 IonicContact NE-OE1 3.51Å; R486-E501 PolarHBondContact NE-OE1 3.28Å; R486-E501 IonicContact NE-OE2 3.66Å; R486-E501 VanDerWaalsContact NH2-CD 3.34Å; R486-E501 IonicContact NH2-OE1 3.77Å; R486-E501 IonicContact NH2-OE2 3.32Å; R486-E501 PolarHBondContact NH2-OE2 3.07Å; R486-G520 WeakPolarHBondContact O-CA 3.47Å
487	P	89.7	Confident	90.9	Very high	13 Å²	13	56.9 Å²	56.9	8%	0.084	29%	0.291	C	S	.	.			trans	-75.8	171.4	170.5	32.7	-35.4	0	0	0	111.8	D489 F490 G520	P487-D489 VanDerWaalsContact C-N 3.32Å; P487-D489 PolarHBondContact O-N 3.45Å; P487-F490 HydrophobicContact CG-CB 4.21Å; P487-F490 WeakPolarHBondContact O-CD1 3.26Å; P487-F490 PolarHBondContact O-N 2.84Å; P487-G520 WeakPolarHBondContact CA-O 3.25Å; P487-G520 WeakPolarHBondContact CB-O 3.07Å
488	D	88	Confident	91.1	Very high	171 Å²	171	60.1 Å²	60.1	91%	0.914	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-33.2	178.1	-70.4	-22.4	0	0	0	112.9
489	D	86	Confident	91.3	Very high	94 Å²	94	57 Å²	57	50%	0.503	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	32.2	-179	72.3	-38.8	0	0	0	113.2	H376 P487	H376-D489 IonicContact CE1-OD2 2.69Å; H376-D489 IonicContact ND1-OD2 3.99Å; H376-D489 PolarHBondContact ND1-OD2 2.81Å; P487-D489 VanDerWaalsContact C-N 3.32Å; P487-D489 PolarHBondContact O-N 3.45Å
490	F	87.8	Confident	91.3	Very high	63 Å²	63	55.2 Å²	55.2	28%	0.276	29%	0.285	S	S	.	.			trans	-62.6	153.8	-179.1	78.7	-88	0	0	0	113.4	R486 P487 G492 I494 W497	R486-F490 HydrophobicContact CB-CB 4.47Å; P487-F490 HydrophobicContact CG-CB 4.21Å; P487-F490 WeakPolarHBondContact O-CD1 3.26Å; P487-F490 PolarHBondContact O-N 2.84Å; F490-G492 WeakPolarHBondContact CE2-O 3.38Å; F490-I494 HydrophobicContact CE2-CG1 4.37Å; F490-I494 HydrophobicContact CZ-CG1 3.81Å; F490-W497 HydrophobicContact CB-CH2 4.43Å; F490-W497 HydrophobicContact CB-CZ2 3.72Å; F490-W497 AromaticContact CD2-CD1 3.57Å; F490-W497 AromaticContact CD2-CE2 3.94Å; F490-W497 HydrophobicContact CD2-CG 4.3Å; F490-W497 AromaticContact CD2-NE1 3.34Å; F490-W497 VanDerWaalsContact CD2-NE1 3.34Å; F490-W497 AromaticContact CE2-CD1 3.92Å
491	L	86.6	Confident	91.4	Very high	32 Å²	32	51.6 Å²	51.6	17%	0.168	27%	0.27	C	S	.	.			trans	-106.6	138.6	177.4	-177	75.3	0	0	0	110.7	W497 F524 Q551 R555	L491-W497 PolarHBondContact O-NE1 3.26Å; L491-F524 HydrophobicContact CB-CD2 4.46Å; L491-F524 VanDerWaalsContact CB-O 3.3Å; L491-F524 WeakPolarHBondContact CB-O 2.93Å; L491-F524 PolarHBondContact N-O 3Å; L491-Q551 HydrophobicContact CB-CG 4.35Å; L491-Q551 HydrophobicContact CD2-CB 3.77Å; L491-Q551 HydrophobicContact CD2-CG 3.88Å; L491-Q551 HydrophobicContact CG-CG 4.14Å; L491-R555 VanDerWaalsContact CD1-NH2 3.35Å
492	G	88.3	Confident	91.3	Very high	38 Å²	38	56.2 Å²	56.2	39%	0.392	29%	0.291	S	S	.	.	S	Bend	trans	104.2	-167.7	177.6	0	0	0	0	0	113.5	F490	F490-G492 WeakPolarHBondContact CE2-O 3.38Å
493	D	91.3	Very high	91.1	Very high	73 Å²	73	55.4 Å²	55.4	39%	0.39	29%	0.289	S	S	.	.			trans	-95.9	156.3	177.1	64.1	87.6	0	0	0	112.6	E495 T496 W497	D493-E495 VanDerWaalsContact C-N 3.3Å; D493-E495 PolarHBondContact O-N 3.23Å; D493-E495 PolarHBondContact OD1-N 2.74Å; D493-T496 VanDerWaalsContact CG-OG1 3.31Å; D493-T496 WeakPolarHBondContact OD1-CB 3.31Å; D493-T496 PolarHBondContact OD1-N 2.84Å; D493-T496 PolarHBondContact OD1-OG1 2.81Å; D493-T496 PolarHBondContact OD2-OG1 3.49Å; D493-W497 VanDerWaalsContact O-CD1 3.31Å; D493-W497 PolarHBondContact O-N 3.39Å
494	I	92.5	Very high	90.9	Very high	100 Å²	100	55.1 Å²	55.1	51%	0.513	29%	0.288	S	S	.	.	H	α-helix	trans	-65.9	-32	-175.6	-67.4	172.1	0	0	0	112.1	F490 W497 N498	F490-I494 HydrophobicContact CE2-CG1 4.37Å; F490-I494 HydrophobicContact CZ-CG1 3.81Å; I494-W497 PolarHBondContact O-N 3.07Å; I494-N498 PolarHBondContact O-N 3.1Å; I494-N498 PolarHBondContact O-ND2 3.25Å; I494-N498 PolarHBondContact O-OD1 3.3Å
495	E	92.5	Very high	90.8	Very high	158 Å²	158	58.3 Å²	58.3	74%	0.738	30%	0.301	S	S	*	.	H	α-helix	trans	-68.1	-45.5	-176.6	-63.6	-176.7	172	0	0	110.9	D493 W497 N498 D499	D493-E495 VanDerWaalsContact C-N 3.3Å; D493-E495 PolarHBondContact O-N 3.23Å; D493-E495 PolarHBondContact OD1-N 2.74Å; E495-W497 VanDerWaalsContact C-N 3.27Å; E495-W497 PolarHBondContact O-N 3.32Å; E495-N498 WeakPolarHBondContact O-CB 3.26Å; E495-N498 PolarHBondContact O-N 3.4Å; E495-D499 PolarHBondContact O-N 3.02Å
496	T	88.7	Confident	90.7	Very high	33 Å²	33	59.7 Å²	59.7	20%	0.202	31%	0.311	C	S	.	.	H	α-helix	trans	-58.6	-40.7	173.5	-59.6	0	0	0	0	111.3	D493 D499 A500 F550	D493-T496 VanDerWaalsContact CG-OG1 3.31Å; D493-T496 WeakPolarHBondContact OD1-CB 3.31Å; D493-T496 PolarHBondContact OD1-N 2.84Å; D493-T496 PolarHBondContact OD1-OG1 2.81Å; D493-T496 PolarHBondContact OD2-OG1 3.49Å; T496-D499 PolarHBondContact O-N 3.46Å; T496-A500 VanDerWaalsContact O-CB 3.29Å; T496-A500 WeakPolarHBondContact O-CB 3.41Å; T496-A500 PolarHBondContact O-N 2.85Å; T496-F550 HydrophobicContact CG2-CB 3.58Å; T496-F550 HydrophobicContact CG2-CD1 4Å; T496-F550 HydrophobicContact CG2-CD2 3.65Å; T496-F550 HydrophobicContact CG2-CE2 4.3Å; T496-F550 HydrophobicContact CG2-CG 3.47Å; T496-F550 VanDerWaalsContact CG2-CG 3.47Å
497	W	92.1	Very high	90.6	Very high	5 Å²	5	56.8 Å²	56.8	2%	0.019	30%	0.3	C	S	.	.	H	α-helix	trans	-66.8	-40.7	176.2	-88.4	91.3	0	0	0	113.2	R486 F490 L491 D493 I494 E495 A500 E501 A523 G526 P527	R486-W497 HydrophobicContact CB-CD2 3.85Å; R486-W497 HydrophobicContact CB-CE3 3.39Å; R486-W497 HydrophobicContact CB-CH2 4.03Å; R486-W497 HydrophobicContact CB-CZ2 4.49Å; R486-W497 HydrophobicContact CB-CZ3 3.49Å; R486-W497 VanDerWaalsContact CB-CZ3 3.49Å; F490-W497 HydrophobicContact CB-CH2 4.43Å; F490-W497 HydrophobicContact CB-CZ2 3.72Å; F490-W497 AromaticContact CD2-CD1 3.57Å; F490-W497 AromaticContact CD2-CE2 3.94Å; F490-W497 HydrophobicContact CD2-CG 4.3Å; F490-W497 AromaticContact CD2-NE1 3.34Å; F490-W497 VanDerWaalsContact CD2-NE1 3.34Å; F490-W497 AromaticContact CE2-CD1 3.92Å; L491-W497 PolarHBondContact O-NE1 3.26Å; D493-W497 VanDerWaalsContact O-CD1 3.31Å; D493-W497 PolarHBondContact O-N 3.39Å; I494-W497 PolarHBondContact O-N 3.07Å; E495-W497 VanDerWaalsContact C-N 3.27Å; E495-W497 PolarHBondContact O-N 3.32Å; W497-A500 PolarHBondContact O-N 2.84Å; W497-E501 WeakPolarHBondContact O-CB 2.94Å; W497-E501 WeakPolarHBondContact O-CG 3.42Å; W497-E501 PolarHBondContact O-N 2.9Å; W497-A523 VanDerWaalsContact CH2-O 3.22Å; W497-A523 WeakPolarHBondContact CH2-O 3.1Å; W497-G526 VanDerWaalsContact CZ2-CA 3.48Å; W497-G526 VanDerWaalsContact CZ2-N 3.3Å; W497-P527 HydrophobicContact CE3-CB 4.28Å; W497-P527 HydrophobicContact CE3-CG 4.2Å; W497-P527 HydrophobicContact CZ3-CB 3.87Å; W497-P527 VanDerWaalsContact CZ3-CD 3.42Å; W497-P527 HydrophobicContact CZ3-CG 4.14Å
498	N	93.5	Very high	90.7	Very high	77 Å²	77	56.2 Å²	56.2	41%	0.412	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-45.5	175.7	-68.1	-15.4	0	0	0	111.1	R486 I494 E495 E502	R486-N498 VanDerWaalsContact CZ-OD1 3.23Å; R486-N498 PolarHBondContact NH1-OD1 2.86Å; R486-N498 PolarHBondContact NH2-OD1 2.92Å; I494-N498 PolarHBondContact O-N 3.1Å; I494-N498 PolarHBondContact O-ND2 3.25Å; I494-N498 PolarHBondContact O-OD1 3.3Å; E495-N498 WeakPolarHBondContact O-CB 3.26Å; E495-N498 PolarHBondContact O-N 3.4Å; N498-E502 WeakPolarHBondContact O-CB 3.3Å; N498-E502 PolarHBondContact O-N 3.3Å
499	D	89.8	Confident	90.9	Very high	61 Å²	61	51.2 Å²	51.2	33%	0.326	27%	0.269	S	S	.	.	H	α-helix	trans	-61.3	-46.3	176	-177.1	51.6	0	0	0	111	H454 E495 T496 E501 E502 Q503	H454-D499 IonicContact CE1-OD2 3.69Å; H454-D499 IonicContact NE2-OD2 3.71Å; H454-D499 PolarHBondContact NE2-OD2 2.81Å; E495-D499 PolarHBondContact O-N 3.02Å; T496-D499 PolarHBondContact O-N 3.46Å; D499-E501 PolarHBondContact O-N 3.12Å; D499-E502 PolarHBondContact O-N 3.44Å; D499-Q503 VanDerWaalsContact O-CG 3.3Å; D499-Q503 WeakPolarHBondContact O-CG 3.47Å; D499-Q503 PolarHBondContact O-N 2.87Å; D499-Q503 PolarHBondContact OD1-NE2 3.36Å; D499-Q503 PolarHBondContact OD2-NE2 2.96Å
500	A	90.7	Very high	91.1	Very high	1 Å²	1	50 Å²	50	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-45.1	179.8	0	0	0	0	0	113.4	T496 W497 Q503 L504 P527 L548 F550	T496-A500 VanDerWaalsContact O-CB 3.29Å; T496-A500 WeakPolarHBondContact O-CB 3.41Å; T496-A500 PolarHBondContact O-N 2.85Å; W497-A500 PolarHBondContact O-N 2.84Å; A500-Q503 PolarHBondContact O-N 2.79Å; A500-L504 WeakPolarHBondContact O-CG 3.29Å; A500-L504 PolarHBondContact O-N 3.22Å; A500-L504 VanDerWaalsContact O-N 3.16Å; A500-P527 HydrophobicContact CB-CG 3.48Å; A500-P527 VanDerWaalsContact CB-CG 3.48Å; A500-L548 HydrophobicContact CB-CD2 3.95Å; A500-F550 HydrophobicContact CB-CD2 4.25Å; A500-F550 HydrophobicContact CB-CE2 3.56Å; A500-F550 HydrophobicContact CB-CZ 4.46Å
501	E	93.5	Very high	91.1	Very high	30 Å²	30	48.9 Å²	48.9	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-42.3	178	-74.2	176.2	-175.4	0	0	111.2	T485 R486 W497 D499 L504 K505 P527	T485-E501 VanDerWaalsContact CB-OE1 3.31Å; T485-E501 WeakPolarHBondContact CB-OE1 3.48Å; T485-E501 HydrophobicContact CG2-CG 4.25Å; R486-E501 IonicContact CZ-OE1 2.68Å; R486-E501 IonicContact CZ-OE2 2.78Å; R486-E501 PolarHBondContact N-OE1 2.75Å; R486-E501 IonicContact NE-OE1 3.51Å; R486-E501 PolarHBondContact NE-OE1 3.28Å; R486-E501 IonicContact NE-OE2 3.66Å; R486-E501 VanDerWaalsContact NH2-CD 3.34Å; R486-E501 IonicContact NH2-OE1 3.77Å; R486-E501 IonicContact NH2-OE2 3.32Å; R486-E501 PolarHBondContact NH2-OE2 3.07Å; W497-E501 WeakPolarHBondContact O-CB 2.94Å; W497-E501 WeakPolarHBondContact O-CG 3.42Å; W497-E501 PolarHBondContact O-N 2.9Å; D499-E501 PolarHBondContact O-N 3.12Å; E501-L504 PolarHBondContact O-N 3.3Å; E501-K505 VanDerWaalsContact O-CB 3.31Å; E501-K505 WeakPolarHBondContact O-CB 3.48Å; E501-K505 PolarHBondContact O-N 3.32Å; E501-P527 HydrophobicContact CG-CB 3.82Å; E501-P527 HydrophobicContact CG-CG 4.01Å
502	E	92.8	Very high	91.1	Very high	99 Å²	99	54.2 Å²	54.2	46%	0.463	29%	0.287	S	S	.	.	H	α-helix	trans	-66	-39.9	178	-172.8	58.2	-147.2	0	0	111.9	N498 D499 K505 C506	N498-E502 WeakPolarHBondContact O-CB 3.3Å; N498-E502 PolarHBondContact O-N 3.3Å; D499-E502 PolarHBondContact O-N 3.44Å; E502-K505 PolarHBondContact O-N 3.31Å; E502-C506 WeakPolarHBondContact O-CB 3.22Å; E502-C506 PolarHBondContact O-N 3.02Å; E502-C506 PolarHBondContact O-SG 2.68Å; E502-C506 VanDerWaalsContact O-SG 3.38Å; E502-C506 PolarHBondContact OE1-SG 2.92Å
503	Q	89.9	Confident	91.1	Very high	30 Å²	30	55.3 Å²	55.3	14%	0.14	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-44.1	177.2	-73.5	-169.1	58	0	0	112.5	H454 I457 D499 A500 C506 A507 L548	H454-Q503 PolarHBondContact CE1-NE2 3.31Å; H454-Q503 PolarHBondContact NE2-NE2 2.96Å; I457-Q503 VanDerWaalsContact CD1-OE1 3.3Å; D499-Q503 VanDerWaalsContact O-CG 3.3Å; D499-Q503 WeakPolarHBondContact O-CG 3.47Å; D499-Q503 PolarHBondContact O-N 2.87Å; D499-Q503 PolarHBondContact OD1-NE2 3.36Å; D499-Q503 PolarHBondContact OD2-NE2 2.96Å; A500-Q503 PolarHBondContact O-N 2.79Å; Q503-C506 PolarHBondContact O-N 3.14Å; Q503-A507 PolarHBondContact O-N 2.92Å; Q503-L548 HydrophobicContact CB-CD2 4.36Å
504	L	93	Very high	91.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-40.6	175.4	-69.2	173.2	0	0	0	111.6	I461 L483 A500 E501 A507 L508 P527 I529 L548	I461-L504 HydrophobicContact CD1-CD2 3.67Å; I461-L504 HydrophobicContact CG1-CD2 4.16Å; I461-L504 HydrophobicContact CG2-CD2 4.32Å; L483-L504 HydrophobicContact CD1-CB 3.74Å; L483-L504 HydrophobicContact CD1-CD1 4.24Å; A500-L504 WeakPolarHBondContact O-CG 3.29Å; A500-L504 PolarHBondContact O-N 3.22Å; A500-L504 VanDerWaalsContact O-N 3.16Å; E501-L504 PolarHBondContact O-N 3.3Å; L504-A507 PolarHBondContact O-N 3.1Å; L504-L508 WeakPolarHBondContact O-CB 3.39Å; L504-L508 WeakPolarHBondContact O-CG 3.29Å; L504-L508 PolarHBondContact O-N 2.77Å; L504-P527 HydrophobicContact CD1-CB 3.71Å; L504-P527 HydrophobicContact CD1-CG 3.65Å; L504-P527 WeakPolarHBondContact CD1-O 3.41Å; L504-I529 HydrophobicContact CB-CD1 4.48Å; L504-I529 HydrophobicContact CB-CG1 4.37Å; L504-I529 HydrophobicContact CD2-CD1 3.85Å; L504-I529 HydrophobicContact CD2-CG1 4.02Å; L504-L548 HydrophobicContact CD1-CB 4.42Å; L504-L548 HydrophobicContact CD2-CB 4.46Å; L504-L548 HydrophobicContact CG-CB 4.48Å
505	K	93.4	Very high	91.2	Very high	67 Å²	67	56 Å²	56	29%	0.291	29%	0.289	S	S	.	.	H	α-helix	trans	-59.6	-49.3	175.5	-174.7	-171.6	169.3	-63.8	0	111.3	L483 E501 E502 A507 L508 D509 W515	L483-K505 HydrophobicContact CD2-CB 3.9Å; L483-K505 HydrophobicContact CD2-CG 4.32Å; E501-K505 VanDerWaalsContact O-CB 3.31Å; E501-K505 WeakPolarHBondContact O-CB 3.48Å; E501-K505 PolarHBondContact O-N 3.32Å; E502-K505 PolarHBondContact O-N 3.31Å; K505-A507 VanDerWaalsContact C-N 3.33Å; K505-A507 PolarHBondContact O-N 3.26Å; K505-L508 WeakPolarHBondContact O-CB 3.34Å; K505-L508 PolarHBondContact O-N 2.94Å; K505-D509 IonicContact NZ-OD2 3.2Å; K505-D509 PolarHBondContact NZ-OD2 3.06Å; K505-D509 VanDerWaalsContact O-CG 3.3Å; K505-D509 PolarHBondContact O-N 2.79Å; K505-W515 HydrophobicContact CD-CH2 4.49Å; K505-W515 HydrophobicContact CD-CZ2 4.47Å; K505-W515 HydrophobicContact CG-CH2 4.05Å; K505-W515 HydrophobicContact CG-CZ2 3.79Å
506	C	91.5	Very high	91.2	Very high	48 Å²	48	52.1 Å²	52.1	32%	0.324	28%	0.277	S	S	.	.	H	α-helix	trans	-58.3	-44.1	177.1	-78.2	0	0	0	0	112	E502 Q503 D509 N510	E502-C506 WeakPolarHBondContact O-CB 3.22Å; E502-C506 PolarHBondContact O-N 3.02Å; E502-C506 PolarHBondContact O-SG 2.68Å; E502-C506 VanDerWaalsContact O-SG 3.38Å; E502-C506 PolarHBondContact OE1-SG 2.92Å; Q503-C506 PolarHBondContact O-N 3.14Å; C506-D509 PolarHBondContact O-N 3.06Å; C506-N510 PolarHBondContact O-N 3.18Å; C506-N510 PolarHBondContact O-ND2 3.19Å
507	A	90.7	Very high	91.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-39.9	177.8	0	0	0	0	0	112.4	I461 Q503 L504 K505 N510 F511	I461-A507 HydrophobicContact CB-CB 4.04Å; I461-A507 HydrophobicContact CG2-CB 3.45Å; I461-A507 VanDerWaalsContact CG2-CB 3.45Å; Q503-A507 PolarHBondContact O-N 2.92Å; L504-A507 PolarHBondContact O-N 3.1Å; K505-A507 VanDerWaalsContact C-N 3.33Å; K505-A507 PolarHBondContact O-N 3.26Å; A507-N510 PolarHBondContact O-N 2.95Å; A507-F511 WeakPolarHBondContact O-CB 3.12Å; A507-F511 PolarHBondContact O-N 3.4Å; A507-F511 VanDerWaalsContact O-N 3.1Å
508	L	92.1	Very high	91.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-45.4	173.8	-77.9	172.5	0	0	0	112.2	L481 L483 L504 K505 N510 F511 W515 I529	L481-L508 HydrophobicContact CB-CD2 4.16Å; L481-L508 HydrophobicContact CD1-CD2 3.89Å; L481-L508 HydrophobicContact CG-CD2 4.49Å; L483-L508 HydrophobicContact CB-CD1 3.79Å; L483-L508 HydrophobicContact CD1-CD1 4.2Å; L483-L508 HydrophobicContact CG-CD1 4.39Å; L504-L508 WeakPolarHBondContact O-CB 3.39Å; L504-L508 WeakPolarHBondContact O-CG 3.29Å; L504-L508 PolarHBondContact O-N 2.77Å; K505-L508 WeakPolarHBondContact O-CB 3.34Å; K505-L508 PolarHBondContact O-N 2.94Å; L508-N510 VanDerWaalsContact C-N 3.29Å; L508-N510 PolarHBondContact O-N 3.5Å; L508-F511 PolarHBondContact O-N 3.07Å; L508-W515 HydrophobicContact CB-CD2 4.47Å; L508-W515 HydrophobicContact CB-CG 4.08Å; L508-W515 HydrophobicContact CD1-CB 4.29Å; L508-W515 HydrophobicContact CD1-CD2 4.03Å; L508-W515 HydrophobicContact CD1-CE3 4.33Å; L508-W515 HydrophobicContact CD1-CG 4.01Å; L508-W515 HydrophobicContact CD2-CB 4.34Å; L508-W515 HydrophobicContact CG-CG 4.47Å; L508-I529 HydrophobicContact CD1-CD1 4.32Å; L508-I529 HydrophobicContact CD1-CG1 4.04Å; L508-I529 HydrophobicContact CD2-CD1 3.85Å; L508-I529 HydrophobicContact CD2-CG1 4.12Å; L508-I529 HydrophobicContact CD2-CG2 3.86Å; L508-I529 HydrophobicContact CG-CD1 3.78Å; L508-I529 HydrophobicContact CG-CG1 4.04Å
509	D	92.4	Very high	91.3	Very high	66 Å²	66	57.8 Å²	57.8	35%	0.353	32%	0.317	S	S	.	.	H	α-helix	trans	-61.2	-38.8	178.9	-70.8	-21.4	0	0	0	111.2	K505 C506 W515	K505-D509 IonicContact NZ-OD2 3.2Å; K505-D509 PolarHBondContact NZ-OD2 3.06Å; K505-D509 VanDerWaalsContact O-CG 3.3Å; K505-D509 PolarHBondContact O-N 2.79Å; C506-D509 PolarHBondContact O-N 3.06Å; D509-W515 PolarHBondContact OD1-NE1 3.25Å
510	N	90.6	Very high	91.3	Very high	70 Å²	70	56.7 Å²	56.7	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-73.5	-26.1	177.2	-63.9	-35.6	0	0	0	114.1	R458 E462 C506 A507 L508 N512	R458-N510 VanDerWaalsContact CZ-ND2 3.28Å; R458-N510 PolarHBondContact NE-ND2 3.26Å; R458-N510 PolarHBondContact NH2-ND2 2.9Å; E462-N510 PolarHBondContact OE1-ND2 3.17Å; C506-N510 PolarHBondContact O-N 3.18Å; C506-N510 PolarHBondContact O-ND2 3.19Å; A507-N510 PolarHBondContact O-N 2.95Å; L508-N510 VanDerWaalsContact C-N 3.29Å; L508-N510 PolarHBondContact O-N 3.5Å; N510-N512 PolarHBondContact O-N 3.18Å; N510-N512 PolarHBondContact O-ND2 2.95Å; N510-N512 VanDerWaalsContact O-ND2 3.15Å
511	F	88.5	Confident	91.2	Very high	39 Å²	39	60.4 Å²	60.4	17%	0.171	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-9.5	179.3	-169.8	-124.3	0	0	0	112.9	L465 K469 F479 L481 A507 L508 L513	L465-F511 HydrophobicContact CB-CD1 4.28Å; L465-F511 HydrophobicContact CB-CD2 3.7Å; L465-F511 HydrophobicContact CB-CE1 4.16Å; L465-F511 HydrophobicContact CB-CE2 3.61Å; L465-F511 HydrophobicContact CB-CG 4.04Å; L465-F511 HydrophobicContact CB-CZ 3.84Å; L465-F511 HydrophobicContact CD1-CB 3.9Å; L465-F511 HydrophobicContact CD1-CD1 4.22Å; L465-F511 HydrophobicContact CD1-CD2 4.28Å; L465-F511 HydrophobicContact CD1-CG 3.91Å; L465-F511 WeakPolarHBondContact O-CZ 3.37Å; K469-F511 HydrophobicContact CB-CE2 4.47Å; K469-F511 HydrophobicContact CB-CZ 4Å; K469-F511 HydrophobicContact CD-CZ 4.35Å; K469-F511 HydrophobicContact CG-CZ 4.35Å; F479-F511 HydrophobicContact CZ-CE1 4.49Å; L481-F511 HydrophobicContact CD1-CD1 3.81Å; L481-F511 HydrophobicContact CD1-CE1 4.09Å; A507-F511 WeakPolarHBondContact O-CB 3.12Å; A507-F511 PolarHBondContact O-N 3.4Å; A507-F511 VanDerWaalsContact O-N 3.1Å; L508-F511 PolarHBondContact O-N 3.07Å; F511-L513 HydrophobicContact CD1-CB 4.19Å; F511-L513 HydrophobicContact CD1-CD1 4Å; F511-L513 HydrophobicContact CD1-CG 4.16Å; F511-L513 HydrophobicContact CE1-CD1 3.53Å; F511-L513 HydrophobicContact CE1-CG 4.16Å; F511-L513 HydrophobicContact CZ-CD1 4.3Å; F511-L513 PolarHBondContact O-N 2.99Å
512	N	84.9	Confident	91	Very high	143 Å²	143	59.5 Å²	59.5	77%	0.765	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	29.4	173.2	-64.3	-52.2	0	0	0	114.6	N510	N510-N512 PolarHBondContact O-N 3.18Å; N510-N512 PolarHBondContact O-ND2 2.95Å; N510-N512 VanDerWaalsContact O-ND2 3.15Å
513	L	88.2	Confident	90.8	Very high	62 Å²	62	55.6 Å²	55.6	33%	0.325	32%	0.323	S	S	.	.	S	Bend	trans	-115.6	145.5	168.2	-71.3	-176	0	0	0	110.8	F479 L481 F511 W515	F479-L513 HydrophobicContact CE2-CD1 3.68Å; F479-L513 HydrophobicContact CZ-CD1 3.51Å; L481-L513 HydrophobicContact CD1-CB 3.91Å; L481-L513 HydrophobicContact CD1-CD1 4.43Å; F511-L513 HydrophobicContact CD1-CB 4.19Å; F511-L513 HydrophobicContact CD1-CD1 4Å; F511-L513 HydrophobicContact CD1-CG 4.16Å; F511-L513 HydrophobicContact CE1-CD1 3.53Å; F511-L513 HydrophobicContact CE1-CG 4.16Å; F511-L513 HydrophobicContact CZ-CD1 4.3Å; F511-L513 PolarHBondContact O-N 2.99Å; L513-W515 PolarHBondContact O-N 3.2Å
514	P	91.5	Very high	90.8	Very high	119 Å²	119	55.5 Å²	55.5	77%	0.773	32%	0.322	S	S	*	.			trans	-59.9	133.7	175.1	-21.5	32.5	0	0	0	111.5
515	W	94.3	Very high	90.6	Very high	67 Å²	67	56.8 Å²	56.8	25%	0.254	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	158.3	174.2	64.2	-93.6	0	0	0	110.8	L481 L483 K505 L508 D509 L513 L517	L481-W515 HydrophobicContact CB-CB 3.76Å; L481-W515 CarbonylContact O-C 3.58Å; L481-W515 WeakPolarHBondContact O-CA 3.43Å; L483-W515 HydrophobicContact CB-CE3 3.8Å; L483-W515 HydrophobicContact CB-CZ3 3.79Å; L483-W515 HydrophobicContact CD2-CH2 4.1Å; L483-W515 HydrophobicContact CD2-CZ3 3.94Å; K505-W515 HydrophobicContact CD-CH2 4.49Å; K505-W515 HydrophobicContact CD-CZ2 4.47Å; K505-W515 HydrophobicContact CG-CH2 4.05Å; K505-W515 HydrophobicContact CG-CZ2 3.79Å; L508-W515 HydrophobicContact CB-CD2 4.47Å; L508-W515 HydrophobicContact CB-CG 4.08Å; L508-W515 HydrophobicContact CD1-CB 4.29Å; L508-W515 HydrophobicContact CD1-CD2 4.03Å; L508-W515 HydrophobicContact CD1-CE3 4.33Å; L508-W515 HydrophobicContact CD1-CG 4.01Å; L508-W515 HydrophobicContact CD2-CB 4.34Å; L508-W515 HydrophobicContact CG-CG 4.47Å; D509-W515 PolarHBondContact OD1-NE1 3.25Å; L513-W515 PolarHBondContact O-N 3.2Å; W515-L517 HydrophobicContact CZ3-CB 4.25Å; W515-L517 HydrophobicContact CZ3-CD1 4.37Å
516	T	93.8	Very high	90.5	Very high	78 Å²	78	53.7 Å²	53.7	48%	0.479	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.5	-179.8	-58.7	0	0	0	0	110.3	L481 Y482 L483	L481-T516 PolarHBondContact O-N 3.44Å; Y482-T516 CarbonylContact C-O 3.59Å; Y482-T516 WeakPolarHBondContact CA-O 3.43Å; Y482-T516 HydrophobicContact CD1-CG2 4.15Å; Y482-T516 HydrophobicContact CE1-CG2 3.98Å; L483-T516 PolarHBondContact N-O 3.37Å
517	L	93.2	Very high	90.6	Very high	102 Å²	102	51.5 Å²	51.5	53%	0.534	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	131.1	174.3	-171	70.9	0	0	0	110.2	L483 T485 W515	L483-L517 HydrophobicContact CB-CD1 4.35Å; L483-L517 HydrophobicContact CD2-CD1 4.2Å; L483-L517 HydrophobicContact CG-CD1 4.29Å; T485-L517 HydrophobicContact CG2-CD1 3.69Å; W515-L517 HydrophobicContact CZ3-CB 4.25Å; W515-L517 HydrophobicContact CZ3-CD1 4.37Å
518	N	91.8	Very high	90.9	Very high	55 Å²	55	52.4 Å²	52.4	29%	0.294	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	80.2	175.8	-173.4	29.5	0	0	0	109.5	Y482 L483 S484 T485 G520 D521	Y482-N518 HydrophobicContact CD1-CB 4.2Å; L483-N518 PolarHBondContact O-N 3.46Å; S484-N518 VanDerWaalsContact CA-O 3.29Å; S484-N518 WeakPolarHBondContact CA-O 3.36Å; S484-N518 PolarHBondContact OG-ND2 2.78Å; S484-N518 VanDerWaalsContact OG-ND2 3.15Å; T485-N518 PolarHBondContact N-O 2.86Å; N518-G520 PolarHBondContact O-N 3.29Å; N518-D521 VanDerWaalsContact ND2-CB 3.26Å; N518-D521 WeakPolarHBondContact ND2-CB 3.48Å; N518-D521 PolarHBondContact ND2-OD2 3.01Å; N518-D521 VanDerWaalsContact ND2-OD2 3.13Å
519	A	91	Very high	91	Very high	77 Å²	77	52.4 Å²	52.4	64%	0.636	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	133.1	-169.9	0	0	0	0	0	112.6	T485 D521	T485-A519 WeakPolarHBondContact OG1-CA 3.49Å; A519-D521 VanDerWaalsContact C-N 3.35Å; A519-D521 PolarHBondContact O-N 2.91Å
520	G	89.8	Confident	91.1	Very high	37 Å²	37	49.4 Å²	49.4	38%	0.381	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	0.7	172.4	0	0	0	0	0	116.1	T485 R486 P487 N518	T485-G520 CarbonylContact O-C 3.46Å; T485-G520 PolarHBondContact OG1-N 2.6Å; R486-G520 WeakPolarHBondContact O-CA 3.47Å; P487-G520 WeakPolarHBondContact CA-O 3.25Å; P487-G520 WeakPolarHBondContact CB-O 3.07Å; N518-G520 PolarHBondContact O-N 3.29Å
521	D	88.1	Confident	91.2	Very high	79 Å²	79	46.1 Å²	46.1	42%	0.422	27%	0.269	S	S	.	.			trans	-102.2	9.8	-174.2	-161.3	57.3	0	0	0	113.6	T485 N518 A519 K528	T485-D521 PolarHBondContact O-N 3.01Å; N518-D521 VanDerWaalsContact ND2-CB 3.26Å; N518-D521 WeakPolarHBondContact ND2-CB 3.48Å; N518-D521 PolarHBondContact ND2-OD2 3.01Å; N518-D521 VanDerWaalsContact ND2-OD2 3.13Å; A519-D521 VanDerWaalsContact C-N 3.35Å; A519-D521 PolarHBondContact O-N 2.91Å; D521-K528 WeakPolarHBondContact O-CE 3.37Å; D521-K528 PolarHBondContact O-NZ 2.95Å; D521-K528 IonicContact OD2-NZ 2.66Å; D521-K528 PolarHBondContact OD2-NZ 3.48Å
522	G	89.9	Confident	91.3	Very high	12 Å²	12	46.3 Å²	46.3	12%	0.124	27%	0.272	C	S	.	.	S	Bend	trans	-60	167.2	175.7	0	0	0	0	0	113.7	T485	T485-G522 VanDerWaalsContact O-CA 3.32Å; T485-G522 WeakPolarHBondContact O-CA 3.47Å; T485-G522 PolarHBondContact O-N 3.49Å
523	A	89.1	Confident	91.4	Very high	16 Å²	16	39.5 Å²	39.5	13%	0.132	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-72.9	151.8	170.2	0	0	0	0	0	109.6	W497 Y525 G526	W497-A523 VanDerWaalsContact CH2-O 3.22Å; W497-A523 WeakPolarHBondContact CH2-O 3.1Å; A523-Y525 HydrophobicContact CB-CD1 4.39Å; A523-Y525 HydrophobicContact CB-CD2 4.13Å; A523-Y525 HydrophobicContact CB-CE1 4.08Å; A523-Y525 HydrophobicContact CB-CE2 3.77Å; A523-Y525 HydrophobicContact CB-CG 4.41Å; A523-Y525 PolarHBondContact O-N 2.73Å; A523-G526 PolarHBondContact N-O 2.99Å; A523-G526 PolarHBondContact O-N 3.06Å
524	F	89.2	Confident	91.1	Very high	29 Å²	29	38.6 Å²	38.6	13%	0.127	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.8	-178.9	68.5	-93.1	0	0	0	113.5	H373 H376 L491	H373-F524 AromaticContact CD2-CE1 3.8Å; H373-F524 AromaticContact CD2-CZ 3.6Å; H373-F524 AromaticContact CE1-CZ 3.9Å; H373-F524 AromaticContact CG-CZ 3.92Å; H373-F524 AromaticContact NE2-CE1 3.91Å; H373-F524 AromaticContact NE2-CZ 3.62Å; H376-F524 HydrophobicContact CB-CD1 4.06Å; H376-F524 HydrophobicContact CB-CE1 4.13Å; H376-F524 HydrophobicContact CB-CG 4.29Å; H376-F524 HydrophobicContact CB-CZ 4.41Å; H376-F524 AromaticContact CD2-CD2 3.79Å; H376-F524 AromaticContact CD2-CE2 3.97Å; L491-F524 HydrophobicContact CB-CD2 4.46Å; L491-F524 VanDerWaalsContact CB-O 3.3Å; L491-F524 WeakPolarHBondContact CB-O 2.93Å; L491-F524 PolarHBondContact N-O 3Å
525	Y	88.5	Confident	90.2	Very high	27 Å²	27	33.2 Å²	33.2	11%	0.106	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-6.9	178	53	-106.8	0	0	0	114.9	H373 A523 Q547 D549 Q551 H574	H373-Y525 AromaticContact NE2-CE1 3.9Å; A523-Y525 HydrophobicContact CB-CD1 4.39Å; A523-Y525 HydrophobicContact CB-CD2 4.13Å; A523-Y525 HydrophobicContact CB-CE1 4.08Å; A523-Y525 HydrophobicContact CB-CE2 3.77Å; A523-Y525 HydrophobicContact CB-CG 4.41Å; A523-Y525 PolarHBondContact O-N 2.73Å; Y525-Q547 PolarHBondContact OH-OE1 2.78Å; Y525-D549 HydrophobicContact CD2-CB 3.78Å; Y525-D549 HydrophobicContact CE2-CB 4.22Å; Y525-Q551 WeakPolarHBondContact O-CG 3.17Å; Y525-H574 AromaticContact CE2-NE2 3.85Å
526	G	91.4	Very high	89	Confident	2 Å²	2	32.2 Å²	32.2	2%	0.021	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	172.8	162.2	-178.9	0	0	0	0	0	115.8	W497 A523 L548	W497-G526 VanDerWaalsContact CZ2-CA 3.48Å; W497-G526 VanDerWaalsContact CZ2-N 3.3Å; A523-G526 PolarHBondContact N-O 2.99Å; A523-G526 PolarHBondContact O-N 3.06Å; G526-L548 WeakPolarHBondContact CA-O 3.49Å
527	P	94.6	Very high	87.9	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.006	18%	0.179	C	C	.	.			trans	-72.6	158.9	178.4	31.1	-33	0	0	0	110.8	S484 W497 A500 E501 L504 Q547 L548	S484-P527 WeakPolarHBondContact O-CA 3.2Å; W497-P527 HydrophobicContact CE3-CB 4.28Å; W497-P527 HydrophobicContact CE3-CG 4.2Å; W497-P527 HydrophobicContact CZ3-CB 3.87Å; W497-P527 VanDerWaalsContact CZ3-CD 3.42Å; W497-P527 HydrophobicContact CZ3-CG 4.14Å; A500-P527 HydrophobicContact CB-CG 3.48Å; A500-P527 VanDerWaalsContact CB-CG 3.48Å; E501-P527 HydrophobicContact CG-CB 3.82Å; E501-P527 HydrophobicContact CG-CG 4.01Å; L504-P527 HydrophobicContact CD1-CB 3.71Å; L504-P527 HydrophobicContact CD1-CG 3.65Å; L504-P527 WeakPolarHBondContact CD1-O 3.41Å; P527-Q547 WeakPolarHBondContact O-CA 3.48Å; P527-L548 PolarHBondContact O-N 2.89Å; P527-L548 VanDerWaalsContact O-N 3.14Å
528	K	95.2	Very high	86.9	Confident	19 Å²	19	33.7 Å²	33.7	8%	0.083	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	150.3	-178.2	63.4	-174.5	159.2	110.5	0	113.2	S484 D521 D530 V546 Q547	S484-K528 PolarHBondContact N-O 3.18Å; S484-K528 PolarHBondContact O-N 3.17Å; D521-K528 WeakPolarHBondContact O-CE 3.37Å; D521-K528 PolarHBondContact O-NZ 2.95Å; D521-K528 IonicContact OD2-NZ 2.66Å; D521-K528 PolarHBondContact OD2-NZ 3.48Å; K528-D530 WeakPolarHBondContact CD-OD1 3.21Å; K528-D530 WeakPolarHBondContact CE-OD2 3.42Å; K528-D530 IonicContact NZ-OD1 2.77Å; K528-D530 PolarHBondContact NZ-OD1 3.08Å; K528-D530 IonicContact NZ-OD2 3.53Å; K528-D530 PolarHBondContact NZ-OD2 2.91Å; K528-V546 CarbonylContact C-O 3.52Å; K528-V546 VanDerWaalsContact CA-O 3.31Å; K528-V546 WeakPolarHBondContact CA-O 3.43Å; K528-Q547 HydrophobicContact CB-CB 3.95Å; K528-Q547 HydrophobicContact CB-CG 3.65Å
529	I	95.6	Very high	86	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	114.4	160.8	-59	168.4	0	0	0	106.6	I461 L465 L481 Y482 L504 L508 I531 T545 V546	I461-I529 HydrophobicContact CG2-CD1 4.01Å; L465-I529 HydrophobicContact CD1-CD1 4.45Å; L465-I529 HydrophobicContact CD2-CD1 4.34Å; L481-I529 HydrophobicContact CD2-CG2 4.19Å; Y482-I529 CarbonylContact O-C 3.49Å; Y482-I529 VanDerWaalsContact O-CA 3.29Å; Y482-I529 WeakPolarHBondContact O-CA 3.36Å; L504-I529 HydrophobicContact CB-CD1 4.48Å; L504-I529 HydrophobicContact CB-CG1 4.37Å; L504-I529 HydrophobicContact CD2-CD1 3.85Å; L504-I529 HydrophobicContact CD2-CG1 4.02Å; L508-I529 HydrophobicContact CD1-CD1 4.32Å; L508-I529 HydrophobicContact CD1-CG1 4.04Å; L508-I529 HydrophobicContact CD2-CD1 3.85Å; L508-I529 HydrophobicContact CD2-CG1 4.12Å; L508-I529 HydrophobicContact CD2-CG2 3.86Å; L508-I529 HydrophobicContact CG-CD1 3.78Å; L508-I529 HydrophobicContact CG-CG1 4.04Å; I529-I531 HydrophobicContact CG2-CD1 3.99Å; I529-I531 HydrophobicContact CG2-CG1 4.28Å; I529-I531 WeakPolarHBondContact O-CD1 3.14Å; I529-T545 VanDerWaalsContact O-CA 3.32Å; I529-T545 WeakPolarHBondContact O-CA 3.35Å; I529-T545 PolarHBondContact O-OG1 2.91Å; I529-V546 HydrophobicContact CB-CB 4.35Å; I529-V546 PolarHBondContact N-O 3.13Å; I529-V546 PolarHBondContact O-N 3.04Å
530	D	93.6	Very high	85.6	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.9	171.3	-74	-53.1	0	0	0	110.3	Y482 S484 K528 Q542	Y482-D530 PolarHBondContact N-O 2.79Å; Y482-D530 PolarHBondContact O-N 3.21Å; S484-D530 WeakPolarHBondContact CB-OD2 3.31Å; S484-D530 PolarHBondContact OG-OD2 3.43Å; K528-D530 WeakPolarHBondContact CD-OD1 3.21Å; K528-D530 WeakPolarHBondContact CE-OD2 3.42Å; K528-D530 IonicContact NZ-OD1 2.77Å; K528-D530 PolarHBondContact NZ-OD1 3.08Å; K528-D530 IonicContact NZ-OD2 3.53Å; K528-D530 PolarHBondContact NZ-OD2 2.91Å; D530-Q542 PolarHBondContact OD1-NE2 2.88Å
531	I	93.2	Very high	85.3	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113.2	179	-56.9	95.6	0	0	0	108.7	L468 Y472 F479 K480 L481 I529 C543 A544	L468-I531 HydrophobicContact CD1-CB 4.03Å; L468-I531 HydrophobicContact CD1-CD1 3.53Å; L468-I531 HydrophobicContact CD1-CG1 3.51Å; L468-I531 HydrophobicContact CD1-CG2 4.04Å; L468-I531 HydrophobicContact CD2-CG2 4.25Å; Y472-I531 HydrophobicContact CE1-CG2 3.76Å; F479-I531 HydrophobicContact CB-CG2 3.87Å; F479-I531 HydrophobicContact CD2-CG2 3.8Å; F479-I531 HydrophobicContact CG-CG2 4.06Å; K480-I531 WeakPolarHBondContact O-CA 3.41Å; L481-I531 HydrophobicContact CD2-CB 4.45Å; L481-I531 HydrophobicContact CD2-CG1 3.54Å; L481-I531 HydrophobicContact CD2-CG2 4.4Å; I529-I531 HydrophobicContact CG2-CD1 3.99Å; I529-I531 HydrophobicContact CG2-CG1 4.28Å; I529-I531 WeakPolarHBondContact O-CD1 3.14Å; I531-C543 PolarHBondContact O-N 2.69Å; I531-A544 HydrophobicContact CB-CB 3.88Å; I531-A544 HydrophobicContact CD1-CB 3.82Å; I531-A544 HydrophobicContact CG1-CB 4.26Å; I531-A544 HydrophobicContact CG2-CB 4.43Å; I531-A544 PolarHBondContact N-O 3.49Å
532	I	90.2	Very high	85.1	Confident	43 Å²	43	33.5 Å²	33.5	22%	0.221	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	110.7	179.3	-55.5	-170.6	0	0	0	108.3	F479 K480 Y482 H541	F479-I532 VanDerWaalsContact CA-O 3.27Å; F479-I532 WeakPolarHBondContact CA-O 3.45Å; K480-I532 PolarHBondContact N-O 2.98Å; K480-I532 PolarHBondContact O-N 3.26Å; Y482-I532 HydrophobicContact CD2-CD1 3.73Å; Y482-I532 HydrophobicContact CD2-CG1 3.84Å; Y482-I532 HydrophobicContact CE2-CB 4.14Å; Y482-I532 HydrophobicContact CE2-CD1 3.41Å; Y482-I532 VanDerWaalsContact CE2-CD1 3.41Å; Y482-I532 HydrophobicContact CE2-CG1 3.77Å; I532-H541 WeakPolarHBondContact CA-O 3.35Å
533	V	87.6	Confident	85	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	130.6	171.3	175.6	0	0	0	0	108.6	Y472 F477 G540 H541 C543 V587	Y472-V533 HydrophobicContact CD1-CG2 3.89Å; Y472-V533 HydrophobicContact CE1-CG2 3.14Å; F477-V533 HydrophobicContact CB-CG1 4.01Å; F477-V533 HydrophobicContact CD1-CG1 3.61Å; F477-V533 HydrophobicContact CD2-CG1 4.09Å; F477-V533 HydrophobicContact CE1-CG1 4.01Å; F477-V533 HydrophobicContact CE2-CG1 4.46Å; F477-V533 HydrophobicContact CG-CG1 3.66Å; F477-V533 HydrophobicContact CZ-CG1 4.43Å; V533-G540 CarbonylContact O-C 3.57Å; V533-G540 WeakPolarHBondContact O-CA 3.49Å; V533-H541 PolarHBondContact N-O 3.39Å; V533-H541 PolarHBondContact O-N 2.98Å; V533-C543 HydrophobicContact CG2-CB 3.97Å; V533-V587 HydrophobicContact CG1-CG1 4.16Å
534	L	81.2	Confident	85.2	Confident	43 Å²	43	32.6 Å²	32.6	23%	0.225	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.3	164.6	-59.5	179.3	0	0	0	107.8	D478 R539	D478-L534 PolarHBondContact O-N 2.68Å; L534-R539 WeakPolarHBondContact CA-O 3.42Å
535	D	73.6	Confident	85.5	Confident	7 Å²	7	32.2 Å²	32.2	4%	0.037	16%	0.162	C	C	.	.			trans	-71.9	175.8	170.8	67.4	19	0	0	0	111.5	M537 R538 R539 H541 V587	D535-M537 PolarHBondContact O-N 2.94Å; D535-M537 WeakPolarHBondContact OD1-CA 3.3Å; D535-M537 WeakPolarHBondContact OD1-CB 3.34Å; D535-M537 PolarHBondContact OD1-N 2.84Å; D535-R538 WeakPolarHBondContact O-CA 3.31Å; D535-R538 PolarHBondContact O-N 2.98Å; D535-R538 PolarHBondContact OD1-N 2.77Å; D535-R539 PolarHBondContact N-O 2.8Å; D535-R539 VanDerWaalsContact N-O 3.11Å; D535-R539 PolarHBondContact OD1-N 2.72Å; D535-R539 IonicContact OD1-NE 3.84Å; D535-R539 WeakPolarHBondContact OD2-CB 3.28Å; D535-R539 IonicContact OD2-CZ 2.86Å; D535-R539 IonicContact OD2-NE 3.66Å; D535-R539 PolarHBondContact OD2-NE 3.41Å; D535-R539 IonicContact OD2-NH2 3.98Å; D535-R539 PolarHBondContact OD2-NH2 2.89Å; D535-H541 IonicContact OD2-CD2 3.5Å; D535-H541 IonicContact OD2-NE2 2.72Å; D535-H541 PolarHBondContact OD2-NE2 3.5Å; D535-V587 HydrophobicContact CB-CG1 4.47Å
536	A	69.2	Low	85.9	Confident	45 Å²	45	31 Å²	31	37%	0.372	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-13.8	176.4	0	0	0	0	0	114.1	R306 N591	R306-A536 VanDerWaalsContact NH1-CB 3.29Å; A536-N591 PolarHBondContact N-OD1 2.66Å
537	M	69.5	Low	86	Confident	4 Å²	4	32 Å²	32	2%	0.02	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	20.5	174.3	-51.8	-54	-62.5	0	0	111.5	F299 E302 A303 D535 R539	F299-M537 HydrophobicContact CD1-CE 4.22Å; F299-M537 HydrophobicContact CD2-CE 3.62Å; F299-M537 HydrophobicContact CE1-CE 4.12Å; F299-M537 HydrophobicContact CE2-CE 3.51Å; F299-M537 HydrophobicContact CG-CE 4.03Å; F299-M537 HydrophobicContact CZ-CB 4Å; F299-M537 HydrophobicContact CZ-CE 3.81Å; F299-M537 WeakPolarHBondContact CZ-O 3.49Å; F299-M537 WeakPolarHBondContact O-CE 3.48Å; E302-M537 HydrophobicContact CB-CE 3.87Å; A303-M537 HydrophobicContact CB-CE 3.85Å; A303-M537 HydrophobicContact CB-CG 4.44Å; D535-M537 PolarHBondContact O-N 2.94Å; D535-M537 WeakPolarHBondContact OD1-CA 3.3Å; D535-M537 WeakPolarHBondContact OD1-CB 3.34Å; D535-M537 PolarHBondContact OD1-N 2.84Å; M537-R539 HydrophobicContact CB-CG 4.46Å; M537-R539 PolarHBondContact O-N 3.44Å
538	R	71.9	Confident	86	Confident	207 Å²	207	31.9 Å²	31.9	78%	0.781	16%	0.16	S	C	*	.			trans	51	20.9	179.9	-62.1	-172.9	172.2	-174.7	-2.5	115.1	D535	D535-R538 WeakPolarHBondContact O-CA 3.31Å; D535-R538 PolarHBondContact O-N 2.98Å; D535-R538 PolarHBondContact OD1-N 2.77Å
539	R	74.3	Confident	86	Confident	86 Å²	86	31 Å²	31	33%	0.325	16%	0.156	S	C	.	.			trans	-80.3	134.4	173	-61.1	173.6	-65.8	176.1	0.1	108.1	L534 D535 M537 H541 E590	L534-R539 WeakPolarHBondContact CA-O 3.42Å; D535-R539 PolarHBondContact N-O 2.8Å; D535-R539 VanDerWaalsContact N-O 3.11Å; D535-R539 PolarHBondContact OD1-N 2.72Å; D535-R539 IonicContact OD1-NE 3.84Å; D535-R539 WeakPolarHBondContact OD2-CB 3.28Å; D535-R539 IonicContact OD2-CZ 2.86Å; D535-R539 IonicContact OD2-NE 3.66Å; D535-R539 PolarHBondContact OD2-NE 3.41Å; D535-R539 IonicContact OD2-NH2 3.98Å; D535-R539 PolarHBondContact OD2-NH2 2.89Å; M537-R539 HydrophobicContact CB-CG 4.46Å; M537-R539 PolarHBondContact O-N 3.44Å; R539-H541 PolarHBondContact O-CD2 2.64Å; R539-E590 IonicContact CZ-OE2 3.42Å; R539-E590 IonicContact NH1-OE2 2.63Å; R539-E590 VanDerWaalsContact NH2-CD 3.27Å; R539-E590 IonicContact NH2-OE1 3.55Å; R539-E590 IonicContact NH2-OE2 3.52Å; R539-E590 PolarHBondContact NH2-OE2 3.04Å
540	G	81.1	Confident	85.9	Confident	43 Å²	43	32.2 Å²	32.2	44%	0.443	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	120.4	175	0	0	0	0	0	111.5	V533	V533-G540 CarbonylContact O-C 3.57Å; V533-G540 WeakPolarHBondContact O-CA 3.49Å
541	H	84.2	Confident	85.9	Confident	28 Å²	28	32.7 Å²	32.7	13%	0.13	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.5	168.2	-60.3	-91.1	0	0	0	109.2	I532 V533 D535 R539 C543 V587	I532-H541 WeakPolarHBondContact CA-O 3.35Å; V533-H541 PolarHBondContact N-O 3.39Å; V533-H541 PolarHBondContact O-N 2.98Å; D535-H541 IonicContact OD2-CD2 3.5Å; D535-H541 IonicContact OD2-NE2 2.72Å; D535-H541 PolarHBondContact OD2-NE2 3.5Å; R539-H541 PolarHBondContact O-CD2 2.64Å; H541-C543 PolarHBondContact O-N 2.83Å; H541-C543 VanDerWaalsContact O-N 3.15Å; H541-V587 HydrophobicContact CB-CG2 4.02Å
542	Q	84.9	Confident	86	Confident	88 Å²	88	32.7 Å²	32.7	41%	0.411	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	106.9	168.5	-170.6	-170.2	-0.6	0	0	108.4	D530 R583	D530-Q542 PolarHBondContact OD1-NE2 2.88Å; Q542-R583 PolarHBondContact O-NH1 3.4Å
543	C	88	Confident	86.3	Confident	8 Å²	8	30.7 Å²	30.7	5%	0.054	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-54.4	-176.7	-74.4	0	0	0	0	111.1	Y472 I531 V533 H541 L578 G579 M584	Y472-C543 WeakPolarHBondContact OH-CB 3.48Å; I531-C543 PolarHBondContact O-N 2.69Å; V533-C543 HydrophobicContact CG2-CB 3.97Å; H541-C543 PolarHBondContact O-N 2.83Å; H541-C543 VanDerWaalsContact O-N 3.15Å; C543-L578 CarbonylContact O-C 3.5Å; C543-G579 WeakPolarHBondContact O-CA 3.4Å; C543-G579 PolarHBondContact O-N 3.39Å; C543-M584 HydrophobicContact CB-CE 4.24Å
544	A	93.3	Very high	86.7	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	158.2	179.9	0	0	0	0	0	113.1	L468 Y472 I531 A576 I577	L468-A544 HydrophobicContact CD1-CB 3.4Å; L468-A544 HydrophobicContact CG-CB 4.49Å; Y472-A544 WeakPolarHBondContact OH-CB 3.09Å; Y472-A544 PolarHBondContact OH-N 3.37Å; I531-A544 HydrophobicContact CB-CB 3.88Å; I531-A544 HydrophobicContact CD1-CB 3.82Å; I531-A544 HydrophobicContact CG1-CB 4.26Å; I531-A544 HydrophobicContact CG2-CB 4.43Å; I531-A544 PolarHBondContact N-O 3.49Å; A544-A576 WeakPolarHBondContact CA-O 2.98Å; A544-A576 WeakPolarHBondContact CB-O 3.46Å; A544-I577 WeakPolarHBondContact CB-O 3.31Å
545	T	94.7	Very high	87.4	Confident	21 Å²	21	36.7 Å²	36.7	13%	0.129	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	145.4	173.1	-168.8	0	0	0	0	110.3	I529 Q547 R575 A576	I529-T545 VanDerWaalsContact O-CA 3.32Å; I529-T545 WeakPolarHBondContact O-CA 3.35Å; I529-T545 PolarHBondContact O-OG1 2.91Å; T545-Q547 HydrophobicContact CG2-CG 4.12Å; T545-Q547 VanDerWaalsContact CG2-NE2 3.34Å; T545-Q547 WeakPolarHBondContact OG1-CG 3.31Å; T545-Q547 PolarHBondContact OG1-NE2 2.88Å; T545-R575 WeakPolarHBondContact O-CA 2.79Å; T545-A576 HydrophobicContact CG2-CB 4.32Å; T545-A576 PolarHBondContact N-O 2.76Å; T545-A576 PolarHBondContact O-N 3.08Å
546	V	96.1	Very high	88.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.5	166.3	-177	0	0	0	0	107.2	I461 C464 K528 I529 V573 H574	I461-V546 HydrophobicContact CG1-CG1 4.41Å; I461-V546 HydrophobicContact CG2-CG1 4.33Å; C464-V546 HydrophobicContact CB-CG1 4.23Å; C464-V546 HydrophobicContact CB-CG2 3.76Å; K528-V546 CarbonylContact C-O 3.52Å; K528-V546 VanDerWaalsContact CA-O 3.31Å; K528-V546 WeakPolarHBondContact CA-O 3.43Å; I529-V546 HydrophobicContact CB-CB 4.35Å; I529-V546 PolarHBondContact N-O 3.13Å; I529-V546 PolarHBondContact O-N 3.04Å; V546-V573 HydrophobicContact CG1-CG1 3.77Å; V546-H574 CarbonylContact C-O 3.58Å; V546-H574 VanDerWaalsContact CA-O 3.32Å; V546-H574 WeakPolarHBondContact CA-O 3.43Å
547	Q	94.7	Very high	89.9	Confident	23 Å²	23	40.1 Å²	40.1	11%	0.107	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.6	-173.3	-30.8	-177.4	-16.2	0	0	110	Y525 P527 K528 T545 V573 H574	Y525-Q547 PolarHBondContact OH-OE1 2.78Å; P527-Q547 WeakPolarHBondContact O-CA 3.48Å; K528-Q547 HydrophobicContact CB-CB 3.95Å; K528-Q547 HydrophobicContact CB-CG 3.65Å; T545-Q547 HydrophobicContact CG2-CG 4.12Å; T545-Q547 VanDerWaalsContact CG2-NE2 3.34Å; T545-Q547 WeakPolarHBondContact OG1-CG 3.31Å; T545-Q547 PolarHBondContact OG1-NE2 2.88Å; Q547-V573 CarbonylContact O-C 3.51Å; Q547-V573 WeakPolarHBondContact O-CA 3.44Å; Q547-H574 HydrophobicContact CB-CB 3.94Å; Q547-H574 HydrophobicContact CG-CB 4.06Å; Q547-H574 PolarHBondContact N-O 3.42Å; Q547-H574 PolarHBondContact O-N 2.8Å
548	L	94.8	Very high	91.3	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.2	-179.3	-169.1	63.4	0	0	0	110.1	I457 A500 Q503 L504 G526 P527 F550 V571 V573	I457-L548 HydrophobicContact CD1-CD1 4.4Å; I457-L548 HydrophobicContact CG1-CD1 4.29Å; I457-L548 HydrophobicContact CG2-CD1 3.57Å; I457-L548 HydrophobicContact CG2-CD2 3.89Å; I457-L548 HydrophobicContact CG2-CG 4.42Å; A500-L548 HydrophobicContact CB-CD2 3.95Å; Q503-L548 HydrophobicContact CB-CD2 4.36Å; L504-L548 HydrophobicContact CD1-CB 4.42Å; L504-L548 HydrophobicContact CD2-CB 4.46Å; L504-L548 HydrophobicContact CG-CB 4.48Å; G526-L548 WeakPolarHBondContact CA-O 3.49Å; P527-L548 PolarHBondContact O-N 2.89Å; P527-L548 VanDerWaalsContact O-N 3.14Å; L548-F550 HydrophobicContact CD1-CE2 4.46Å; L548-F550 HydrophobicContact CD2-CE2 3.57Å; L548-F550 HydrophobicContact CD2-CZ 3.82Å; L548-F550 HydrophobicContact CG-CD2 4.35Å; L548-F550 HydrophobicContact CG-CE2 3.53Å; L548-F550 HydrophobicContact CG-CZ 4.03Å; L548-V571 HydrophobicContact CD1-CG1 3.55Å; L548-V571 HydrophobicContact CG-CG1 4.22Å; L548-V573 HydrophobicContact CD1-CG2 3.95Å
549	D	94.6	Very high	92.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118	-171.9	178.9	9.6	0	0	0	112.1	Y525 Q551 L552 I572 H574	Y525-D549 HydrophobicContact CD2-CB 3.78Å; Y525-D549 HydrophobicContact CE2-CB 4.22Å; D549-Q551 WeakPolarHBondContact OD1-CA 3.28Å; D549-Q551 WeakPolarHBondContact OD1-CB 3.37Å; D549-Q551 PolarHBondContact OD1-N 2.98Å; D549-L552 PolarHBondContact OD1-N 2.83Å; D549-L552 WeakPolarHBondContact OD2-CB 3.47Å; D549-L552 WeakPolarHBondContact OD2-CD1 3.19Å; D549-L552 WeakPolarHBondContact OD2-CG 3.36Å; D549-I572 HydrophobicContact CB-CB 4.28Å; D549-I572 PolarHBondContact N-O 3.46Å; D549-I572 PolarHBondContact O-N 3.1Å; D549-H574 VanDerWaalsContact CB-CD2 3.48Å; D549-H574 WeakPolarHBondContact CB-CD2 3.16Å; D549-H574 WeakPolarHBondContact CB-NE2 3.3Å; D549-H574 IonicContact OD2-CE1 2.72Å; D549-H574 IonicContact OD2-NE2 3.49Å; D549-H574 PolarHBondContact OD2-NE2 3.06Å
550	F	93	Very high	93.6	Very high	26 Å²	26	29.6 Å²	29.6	11%	0.114	15%	0.152	C	C	.	.	S	Bend	trans	-103	-16.9	173.7	-61.6	-95.5	0	0	0	112.2	I457 T496 A500 L548 I554 V571	I457-F550 HydrophobicContact CD1-CE1 4.31Å; I457-F550 HydrophobicContact CD1-CZ 4.1Å; T496-F550 HydrophobicContact CG2-CB 3.58Å; T496-F550 HydrophobicContact CG2-CD1 4Å; T496-F550 HydrophobicContact CG2-CD2 3.65Å; T496-F550 HydrophobicContact CG2-CE2 4.3Å; T496-F550 HydrophobicContact CG2-CG 3.47Å; T496-F550 VanDerWaalsContact CG2-CG 3.47Å; A500-F550 HydrophobicContact CB-CD2 4.25Å; A500-F550 HydrophobicContact CB-CE2 3.56Å; A500-F550 HydrophobicContact CB-CZ 4.46Å; L548-F550 HydrophobicContact CD1-CE2 4.46Å; L548-F550 HydrophobicContact CD2-CE2 3.57Å; L548-F550 HydrophobicContact CD2-CZ 3.82Å; L548-F550 HydrophobicContact CG-CD2 4.35Å; L548-F550 HydrophobicContact CG-CE2 3.53Å; L548-F550 HydrophobicContact CG-CZ 4.03Å; F550-I554 WeakPolarHBondContact O-CD1 3.19Å; F550-I554 VanDerWaalsContact O-CG1 3.31Å; F550-I554 WeakPolarHBondContact O-CG1 3.48Å; F550-V571 HydrophobicContact CD1-CB 4.46Å; F550-V571 HydrophobicContact CD1-CG1 3.96Å; F550-V571 HydrophobicContact CD1-CG2 3.69Å; F550-V571 HydrophobicContact CD2-CG1 4.49Å; F550-V571 HydrophobicContact CE1-CB 4.29Å; F550-V571 HydrophobicContact CE1-CG1 3.74Å; F550-V571 HydrophobicContact CE1-CG2 3.49Å; F550-V571 VanDerWaalsContact CE1-CG2 3.49Å; F550-V571 HydrophobicContact CE2-CG1 4.27Å; F550-V571 HydrophobicContact CG-CG1 4.35Å; F550-V571 HydrophobicContact CZ-CG1 3.91Å; F550-V571 HydrophobicContact CZ-CG2 4.39Å
551	Q	93.4	Very high	94.4	Very high	13 Å²	13	30 Å²	30	6%	0.061	15%	0.146	C	C	.	.	H	α-helix	trans	-79	-44.2	-172	-61.2	-55.3	-50.6	0	0	112.4	L491 Y525 D549 I554 R555	L491-Q551 HydrophobicContact CB-CG 4.35Å; L491-Q551 HydrophobicContact CD2-CB 3.77Å; L491-Q551 HydrophobicContact CD2-CG 3.88Å; L491-Q551 HydrophobicContact CG-CG 4.14Å; Y525-Q551 WeakPolarHBondContact O-CG 3.17Å; D549-Q551 WeakPolarHBondContact OD1-CA 3.28Å; D549-Q551 WeakPolarHBondContact OD1-CB 3.37Å; D549-Q551 PolarHBondContact OD1-N 2.98Å; Q551-I554 PolarHBondContact O-N 3.13Å; Q551-I554 VanDerWaalsContact O-N 3.17Å; Q551-R555 WeakPolarHBondContact O-CB 3.32Å; Q551-R555 WeakPolarHBondContact O-CG 3.09Å; Q551-R555 PolarHBondContact O-N 2.83Å
552	L	95.9	Very high	95	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-42.4	178.1	-69.3	-177.1	0	0	0	112.7	C398 D549 I554 R555 F556 I572	C398-L552 HydrophobicContact CB-CD1 3.78Å; D549-L552 PolarHBondContact OD1-N 2.83Å; D549-L552 WeakPolarHBondContact OD2-CB 3.47Å; D549-L552 WeakPolarHBondContact OD2-CD1 3.19Å; D549-L552 WeakPolarHBondContact OD2-CG 3.36Å; L552-I554 VanDerWaalsContact C-N 3.26Å; L552-I554 PolarHBondContact O-N 2.48Å; L552-R555 PolarHBondContact O-N 3.3Å; L552-F556 HydrophobicContact CD2-CD2 4.3Å; L552-F556 HydrophobicContact CD2-CE2 4.02Å; L552-F556 WeakPolarHBondContact O-CB 3.36Å; L552-F556 WeakPolarHBondContact O-CD2 3.26Å; L552-F556 PolarHBondContact O-N 3.46Å; L552-I572 HydrophobicContact CB-CD1 4.06Å
553	P	96.9	Very high	95.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-55.5	-37.7	171.8	-30	37.8	0	0	0	114.5	D557 L558 R569 P570 I572	P553-D557 PolarHBondContact O-N 2.78Å; P553-L558 HydrophobicContact CB-CB 4.41Å; P553-L558 PolarHBondContact O-N 2.99Å; P553-R569 HydrophobicContact CB-CG 3.67Å; P553-P570 WeakPolarHBondContact CB-O 3.39Å; P553-P570 WeakPolarHBondContact CG-O 3.42Å; P553-I572 HydrophobicContact CG-CD1 3.81Å; P553-I572 HydrophobicContact CG-CG1 3.75Å
554	I	95.8	Very high	95.9	Very high	84 Å²	84	38.4 Å²	38.4	43%	0.431	19%	0.189	S	C	.	.	H	α-helix	trans	-70.7	-49.9	177.6	-66.5	166.6	0	0	0	110	F550 Q551 L552 F556 D557	F550-I554 WeakPolarHBondContact O-CD1 3.19Å; F550-I554 VanDerWaalsContact O-CG1 3.31Å; F550-I554 WeakPolarHBondContact O-CG1 3.48Å; Q551-I554 PolarHBondContact O-N 3.13Å; Q551-I554 VanDerWaalsContact O-N 3.17Å; L552-I554 VanDerWaalsContact C-N 3.26Å; L552-I554 PolarHBondContact O-N 2.48Å; I554-F556 PolarHBondContact O-N 3.28Å; I554-D557 PolarHBondContact O-N 3.18Å; I554-D557 VanDerWaalsContact O-N 3.09Å
555	R	95.7	Very high	95.9	Very high	85 Å²	85	41 Å²	41	32%	0.321	22%	0.216	S	C	.	.	H	α-helix	trans	-64.5	-36.2	-175.9	-80.1	176.8	161.9	-99	7.3	113.8	E369 I370 G372 L491 Q551 L552 D557	E369-R555 PolarHBondContact O-NH1 3.45Å; I370-R555 WeakPolarHBondContact CG2-O 3.48Å; I370-R555 WeakPolarHBondContact O-CB 3.5Å; I370-R555 VanDerWaalsContact O-CD 3.24Å; I370-R555 WeakPolarHBondContact O-CD 3.29Å; I370-R555 PolarHBondContact O-NH1 3.44Å; G372-R555 VanDerWaalsContact CA-NH1 3.34Å; G372-R555 VanDerWaalsContact N-NH1 3.19Å; L491-R555 VanDerWaalsContact CD1-NH2 3.35Å; Q551-R555 WeakPolarHBondContact O-CB 3.32Å; Q551-R555 WeakPolarHBondContact O-CG 3.09Å; Q551-R555 PolarHBondContact O-N 2.83Å; L552-R555 PolarHBondContact O-N 3.3Å; R555-D557 VanDerWaalsContact C-N 3.33Å
556	F	97.8	Very high	96	Very high	25 Å²	25	43.6 Å²	43.6	11%	0.11	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	2.6	175.5	-79	-90.1	0	0	0	113.6	L367 I370 P399 C402 L403 L552 I554 L558	L367-F556 HydrophobicContact CD1-CE1 3.51Å; L367-F556 HydrophobicContact CD1-CZ 3.55Å; I370-F556 HydrophobicContact CB-CE1 4.47Å; I370-F556 HydrophobicContact CB-CZ 4.26Å; I370-F556 HydrophobicContact CG2-CD1 3.97Å; I370-F556 HydrophobicContact CG2-CD2 4.05Å; I370-F556 HydrophobicContact CG2-CE1 3.86Å; I370-F556 HydrophobicContact CG2-CE2 3.94Å; I370-F556 HydrophobicContact CG2-CG 4.05Å; I370-F556 HydrophobicContact CG2-CZ 3.82Å; P399-F556 HydrophobicContact CB-CE2 4.18Å; P399-F556 HydrophobicContact CB-CZ 3.78Å; C402-F556 HydrophobicContact CB-CB 4.07Å; C402-F556 HydrophobicContact CB-CD1 3.8Å; C402-F556 HydrophobicContact CB-CD2 3.78Å; C402-F556 HydrophobicContact CB-CE1 4.18Å; C402-F556 HydrophobicContact CB-CE2 4.16Å; C402-F556 HydrophobicContact CB-CG 3.59Å; C402-F556 HydrophobicContact CB-CZ 4.37Å; L403-F556 HydrophobicContact CD2-CD1 4.25Å; L403-F556 HydrophobicContact CD2-CE1 3.95Å; L403-F556 HydrophobicContact CG-CE1 4.41Å; L552-F556 HydrophobicContact CD2-CD2 4.3Å; L552-F556 HydrophobicContact CD2-CE2 4.02Å; L552-F556 WeakPolarHBondContact O-CB 3.36Å; L552-F556 WeakPolarHBondContact O-CD2 3.26Å; L552-F556 PolarHBondContact O-N 3.46Å; I554-F556 PolarHBondContact O-N 3.28Å; F556-L558 VanDerWaalsContact C-N 3.28Å; F556-L558 HydrophobicContact CB-CD1 4.36Å; F556-L558 HydrophobicContact CB-CD2 3.56Å; F556-L558 HydrophobicContact CB-CG 3.7Å; F556-L558 PolarHBondContact O-N 2.96Å
557	D	97.2	Very high	96.1	Very high	99 Å²	99	50.8 Å²	50.8	53%	0.529	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	43.6	-177.2	-162.1	41.3	0	0	0	113.6	P553 I554 R555 H559 R569	P553-D557 PolarHBondContact O-N 2.78Å; I554-D557 PolarHBondContact O-N 3.18Å; I554-D557 VanDerWaalsContact O-N 3.09Å; R555-D557 VanDerWaalsContact C-N 3.33Å; D557-H559 PolarHBondContact O-CE1 3.46Å; D557-H559 PolarHBondContact O-ND1 2.96Å; D557-H559 IonicContact OD1-CE1 3.83Å; D557-H559 PolarHBondContact OD1-CE1 2.76Å; D557-H559 IonicContact OD1-ND1 3.59Å; D557-H559 IonicContact OD1-NE2 3.13Å; D557-H559 IonicContact OD2-CE1 2.64Å; D557-H559 PolarHBondContact OD2-CE1 3.47Å; D557-H559 IonicContact OD2-ND1 2.72Å; D557-R569 IonicContact OD1-CZ 3.67Å; D557-R569 IonicContact OD1-NH1 3.59Å; D557-R569 IonicContact OD1-NH2 3.65Å; D557-R569 PolarHBondContact OD1-NH2 3.47Å
558	L	98.3	Very high	96.2	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.275	C	S	.	.			trans	-76.2	125.2	-173.8	-57.3	-172.4	0	0	0	111.8	C402 F405 A406 F451 P553 F556 R569 P570 I572	C402-L558 HydrophobicContact CB-CD1 4.02Å; C402-L558 HydrophobicContact CB-CD2 4.33Å; F405-L558 HydrophobicContact CD1-CB 4.01Å; F405-L558 HydrophobicContact CD1-CD1 4.26Å; F405-L558 HydrophobicContact CD1-CD2 4.13Å; F405-L558 HydrophobicContact CD1-CG 4.38Å; F405-L558 HydrophobicContact CE1-CB 4.12Å; A406-L558 HydrophobicContact CB-CD2 3.79Å; F451-L558 HydrophobicContact CD1-CD1 4.26Å; F451-L558 HydrophobicContact CE1-CD1 3.71Å; P553-L558 HydrophobicContact CB-CB 4.41Å; P553-L558 PolarHBondContact O-N 2.99Å; F556-L558 VanDerWaalsContact C-N 3.28Å; F556-L558 HydrophobicContact CB-CD1 4.36Å; F556-L558 HydrophobicContact CB-CD2 3.56Å; F556-L558 HydrophobicContact CB-CG 3.7Å; F556-L558 PolarHBondContact O-N 2.96Å; L558-R569 VanDerWaalsContact C-NH1 3.28Å; L558-R569 WeakPolarHBondContact O-CG 3.44Å; L558-R569 PolarHBondContact O-NH1 3.01Å; L558-P570 HydrophobicContact CB-CG 4.07Å; L558-P570 WeakPolarHBondContact O-CD 3.48Å; L558-I572 HydrophobicContact CD1-CD1 4.37Å
559	H	97.8	Very high	96.3	Very high	55 Å²	55	57 Å²	57	26%	0.255	29%	0.289	S	S	.	.			trans	-131.5	150.8	-179.7	-60.8	98.8	0	0	0	113.2	F405 D557 K567 Q568 R569	F405-H559 WeakPolarHBondContact CE1-O 3.35Å; D557-H559 PolarHBondContact O-CE1 3.46Å; D557-H559 PolarHBondContact O-ND1 2.96Å; D557-H559 IonicContact OD1-CE1 3.83Å; D557-H559 PolarHBondContact OD1-CE1 2.76Å; D557-H559 IonicContact OD1-ND1 3.59Å; D557-H559 IonicContact OD1-NE2 3.13Å; D557-H559 IonicContact OD2-CE1 2.64Å; D557-H559 PolarHBondContact OD2-CE1 3.47Å; D557-H559 IonicContact OD2-ND1 2.72Å; H559-K567 HydrophobicContact CB-CB 4.41Å; H559-K567 HydrophobicContact CB-CD 4.5Å; H559-Q568 CarbonylContact C-O 3.57Å; H559-Q568 WeakPolarHBondContact CA-O 3.41Å; H559-R569 PolarHBondContact CD2-NH1 3.49Å; H559-R569 VanDerWaalsContact CD2-NH1 3.31Å; H559-R569 PolarHBondContact CE1-NH1 2.74Å; H559-R569 PolarHBondContact CE1-NH2 3.46Å; H559-R569 PolarHBondContact NE2-NH1 2.93Å; H559-R569 PolarHBondContact NE2-NH2 2.91Å; H559-R569 VanDerWaalsContact NE2-NH2 3.18Å
560	Y	98.1	Very high	96.5	Very high	19 Å²	19	57 Å²	57	8%	0.075	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	155.3	161.6	69.6	-88.5	0	0	0	109.9	R410 F412 L415 R453 D562 K567 Q568 P570	R410-Y560 CarbonylContact O-C 3.55Å; R410-Y560 VanDerWaalsContact O-CA 3.29Å; R410-Y560 WeakPolarHBondContact O-CA 3.43Å; F412-Y560 HydrophobicContact CB-CD2 3.82Å; F412-Y560 HydrophobicContact CB-CE2 3.77Å; L415-Y560 HydrophobicContact CD1-CD1 3.53Å; L415-Y560 HydrophobicContact CD1-CD2 4.08Å; L415-Y560 HydrophobicContact CD1-CE1 3.79Å; L415-Y560 HydrophobicContact CD1-CE2 4.32Å; L415-Y560 HydrophobicContact CD1-CG 3.68Å; R453-Y560 HydrophobicContact CG-CE1 4.33Å; R453-Y560 HydrophobicContact CG-CE2 4.16Å; R453-Y560 WeakPolarHBondContact CG-OH 3.15Å; Y560-D562 HydrophobicContact CE2-CB 4.32Å; Y560-K567 WeakPolarHBondContact O-CA 3.49Å; Y560-Q568 HydrophobicContact CD1-CB 4.2Å; Y560-Q568 HydrophobicContact CD2-CB 4.27Å; Y560-Q568 HydrophobicContact CE1-CB 3.64Å; Y560-Q568 HydrophobicContact CE2-CB 3.69Å; Y560-Q568 HydrophobicContact CE2-CG 4.18Å; Y560-Q568 HydrophobicContact CG-CB 4.5Å; Y560-Q568 PolarHBondContact N-O 3.05Å; Y560-Q568 PolarHBondContact O-N 3.39Å; Y560-Q568 WeakPolarHBondContact OH-CB 3.29Å; Y560-P570 HydrophobicContact CD1-CB 4.13Å; Y560-P570 HydrophobicContact CE1-CB 4.33Å
561	T	97.8	Very high	96.7	Very high	52 Å²	52	56.1 Å²	56.1	32%	0.319	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.1	172.9	-55.8	0	0	0	0	109.8	R410 T411 F412 G565 V566	R410-T561 PolarHBondContact O-N 3.07Å; T411-T561 WeakPolarHBondContact CA-O 3.24Å; F412-T561 PolarHBondContact N-O 2.68Å; T561-G565 VanDerWaalsContact CG2-CA 3.46Å; T561-V566 WeakPolarHBondContact CA-O 3.49Å
562	D	96.7	Very high	96.9	Very high	26 Å²	26	55.5 Å²	55.5	14%	0.139	28%	0.283	C	S	.	.			trans	-78.5	-176.5	175.1	71.1	18.2	0	0	0	113.1	Y560 N564 G565 V566 Q568	Y560-D562 HydrophobicContact CE2-CB 4.32Å; D562-N564 PolarHBondContact O-N 2.83Å; D562-N564 WeakPolarHBondContact OD1-CA 3.36Å; D562-N564 WeakPolarHBondContact OD1-CB 3.4Å; D562-N564 PolarHBondContact OD1-N 3.29Å; D562-G565 PolarHBondContact O-N 3.19Å; D562-G565 PolarHBondContact OD1-N 3.36Å; D562-V566 PolarHBondContact N-O 2.92Å; D562-V566 PolarHBondContact OD1-N 2.89Å; D562-Q568 HydrophobicContact CB-CG 3.76Å; D562-Q568 WeakPolarHBondContact OD2-CG 3.33Å; D562-Q568 PolarHBondContact OD2-NE2 3.31Å
563	E	94.8	Very high	97	Very high	148 Å²	148	55.5 Å²	55.5	69%	0.692	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.4	180	60.2	-174.6	-169.7	0	0	114.3	F412	F412-E563 HydrophobicContact CD1-CB 4.46Å; F412-E563 HydrophobicContact CE1-CB 3.85Å; F412-E563 HydrophobicContact CE2-CB 4.44Å; F412-E563 HydrophobicContact CZ-CB 3.82Å
564	N	95.9	Very high	97	Very high	126 Å²	126	55.8 Å²	55.8	67%	0.674	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	4.6	-179.7	-61.7	-54.4	0	0	0	112.6	D562 V566	D562-N564 PolarHBondContact O-N 2.83Å; D562-N564 WeakPolarHBondContact OD1-CA 3.36Å; D562-N564 WeakPolarHBondContact OD1-CB 3.4Å; D562-N564 PolarHBondContact OD1-N 3.29Å; N564-V566 VanDerWaalsContact C-N 3.28Å; N564-V566 HydrophobicContact CB-CG2 4.26Å; N564-V566 PolarHBondContact O-N 3.38Å
565	G	94.8	Very high	97.1	Very high	55 Å²	55	51.8 Å²	51.8	57%	0.567	26%	0.264	S	S	*	.	S	Bend	trans	79.3	9	-176.5	0	0	0	0	0	113.8	T561 D562	T561-G565 VanDerWaalsContact CG2-CA 3.46Å; D562-G565 PolarHBondContact O-N 3.19Å; D562-G565 PolarHBondContact OD1-N 3.36Å
566	V	96.8	Very high	97.1	Very high	77 Å²	77	47.9 Å²	47.9	47%	0.467	25%	0.25	S	C	.	.			trans	-89	140.4	-178.7	-178	0	0	0	0	109.7	T561 D562 N564 Q568	T561-V566 WeakPolarHBondContact CA-O 3.49Å; D562-V566 PolarHBondContact N-O 2.92Å; D562-V566 PolarHBondContact OD1-N 2.89Å; N564-V566 VanDerWaalsContact C-N 3.28Å; N564-V566 HydrophobicContact CB-CG2 4.26Å; N564-V566 PolarHBondContact O-N 3.38Å; V566-Q568 PolarHBondContact O-N 2.9Å
567	K	97.1	Very high	97	Very high	151 Å²	151	46.7 Å²	46.7	66%	0.657	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	120.2	173.8	-72.4	-174.3	178.4	-177.6	0	109.4	H559 Y560	H559-K567 HydrophobicContact CB-CB 4.41Å; H559-K567 HydrophobicContact CB-CD 4.5Å; Y560-K567 WeakPolarHBondContact O-CA 3.49Å
568	Q	97.5	Very high	97	Very high	75 Å²	75	42 Å²	42	35%	0.35	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	159.1	173	-60.3	-61.4	-15.2	0	0	109.7	H559 Y560 D562 V566	H559-Q568 CarbonylContact C-O 3.57Å; H559-Q568 WeakPolarHBondContact CA-O 3.41Å; Y560-Q568 HydrophobicContact CD1-CB 4.2Å; Y560-Q568 HydrophobicContact CD2-CB 4.27Å; Y560-Q568 HydrophobicContact CE1-CB 3.64Å; Y560-Q568 HydrophobicContact CE2-CB 3.69Å; Y560-Q568 HydrophobicContact CE2-CG 4.18Å; Y560-Q568 HydrophobicContact CG-CB 4.5Å; Y560-Q568 PolarHBondContact N-O 3.05Å; Y560-Q568 PolarHBondContact O-N 3.39Å; Y560-Q568 WeakPolarHBondContact OH-CB 3.29Å; D562-Q568 HydrophobicContact CB-CG 3.76Å; D562-Q568 WeakPolarHBondContact OD2-CG 3.33Å; D562-Q568 PolarHBondContact OD2-NE2 3.31Å; V566-Q568 PolarHBondContact O-N 2.9Å
569	R	97.2	Very high	96.8	Very high	77 Å²	77	42.1 Å²	42.1	29%	0.291	22%	0.22	S	C	.	.			trans	-103.4	130.2	179.1	-171.5	166.6	-58.8	-46.5	12.7	109.6	P553 D557 L558 H559	P553-R569 HydrophobicContact CB-CG 3.67Å; D557-R569 IonicContact OD1-CZ 3.67Å; D557-R569 IonicContact OD1-NH1 3.59Å; D557-R569 IonicContact OD1-NH2 3.65Å; D557-R569 PolarHBondContact OD1-NH2 3.47Å; L558-R569 VanDerWaalsContact C-NH1 3.28Å; L558-R569 WeakPolarHBondContact O-CG 3.44Å; L558-R569 PolarHBondContact O-NH1 3.01Å; H559-R569 PolarHBondContact CD2-NH1 3.49Å; H559-R569 VanDerWaalsContact CD2-NH1 3.31Å; H559-R569 PolarHBondContact CE1-NH1 2.74Å; H559-R569 PolarHBondContact CE1-NH2 3.46Å; H559-R569 PolarHBondContact NE2-NH1 2.93Å; H559-R569 PolarHBondContact NE2-NH2 2.91Å; H559-R569 VanDerWaalsContact NE2-NH2 3.18Å
570	P	97.8	Very high	96.7	Very high	2 Å²	2	40 Å²	40	1%	0.013	21%	0.212	C	C	.	.			trans	-75.4	164.9	175.8	34.8	-34.4	0	0	0	110.5	F405 F451 C452 P553 L558 Y560	F405-P570 HydrophobicContact CE1-CG 3.98Å; F405-P570 HydrophobicContact CE2-CG 4.49Å; F405-P570 HydrophobicContact CZ-CB 4.33Å; F405-P570 HydrophobicContact CZ-CG 3.83Å; F451-P570 HydrophobicContact CB-CB 4.37Å; F451-P570 HydrophobicContact CD1-CG 4.38Å; C452-P570 CarbonylContact O-C 3.44Å; C452-P570 WeakPolarHBondContact O-CA 3.45Å; P553-P570 WeakPolarHBondContact CB-O 3.39Å; P553-P570 WeakPolarHBondContact CG-O 3.42Å; L558-P570 HydrophobicContact CB-CG 4.07Å; L558-P570 WeakPolarHBondContact O-CD 3.48Å; Y560-P570 HydrophobicContact CD1-CB 4.13Å; Y560-P570 HydrophobicContact CE1-CB 4.33Å
571	V	96.6	Very high	96.6	Very high	6 Å²	6	39.1 Å²	39.1	4%	0.036	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.7	167.2	-176.7	0	0	0	0	108.2	F451 C452 I457 L548 F550	F451-V571 WeakPolarHBondContact CA-O 3.32Å; C452-V571 PolarHBondContact N-O 3.35Å; C452-V571 PolarHBondContact O-N 2.96Å; I457-V571 HydrophobicContact CD1-CB 4.13Å; I457-V571 HydrophobicContact CD1-CG1 3.95Å; I457-V571 HydrophobicContact CD1-CG2 4.02Å; I457-V571 HydrophobicContact CG1-CB 4.24Å; I457-V571 HydrophobicContact CG1-CG1 4.18Å; L548-V571 HydrophobicContact CD1-CG1 3.55Å; L548-V571 HydrophobicContact CG-CG1 4.22Å; F550-V571 HydrophobicContact CD1-CB 4.46Å; F550-V571 HydrophobicContact CD1-CG1 3.96Å; F550-V571 HydrophobicContact CD1-CG2 3.69Å; F550-V571 HydrophobicContact CD2-CG1 4.49Å; F550-V571 HydrophobicContact CE1-CB 4.29Å; F550-V571 HydrophobicContact CE1-CG1 3.74Å; F550-V571 HydrophobicContact CE1-CG2 3.49Å; F550-V571 VanDerWaalsContact CE1-CG2 3.49Å; F550-V571 HydrophobicContact CE2-CG1 4.27Å; F550-V571 HydrophobicContact CG-CG1 4.35Å; F550-V571 HydrophobicContact CZ-CG1 3.91Å; F550-V571 HydrophobicContact CZ-CG2 4.39Å
572	I	98.1	Very high	96.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.4	178.2	-61.4	173.2	0	0	0	109.6	H449 H450 F451 D549 L552 P553 L558	H449-I572 HydrophobicContact CB-CG2 4Å; H450-I572 VanDerWaalsContact O-CA 3.3Å; H450-I572 WeakPolarHBondContact O-CA 3.23Å; F451-I572 HydrophobicContact CD1-CD1 4.11Å; F451-I572 HydrophobicContact CD1-CG1 3.77Å; F451-I572 HydrophobicContact CE1-CD1 3.55Å; F451-I572 HydrophobicContact CE1-CG1 3.74Å; F451-I572 HydrophobicContact CZ-CD1 4.25Å; D549-I572 HydrophobicContact CB-CB 4.28Å; D549-I572 PolarHBondContact N-O 3.46Å; D549-I572 PolarHBondContact O-N 3.1Å; L552-I572 HydrophobicContact CB-CD1 4.06Å; P553-I572 HydrophobicContact CG-CD1 3.81Å; P553-I572 HydrophobicContact CG-CG1 3.75Å; L558-I572 HydrophobicContact CD1-CD1 4.37Å
573	V	97.8	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	114.3	163.4	-175.3	0	0	0	0	108.4	H449 H450 E460 V546 Q547 L548	H449-V573 WeakPolarHBondContact CA-O 3.42Å; H450-V573 HydrophobicContact CB-CB 4.06Å; H450-V573 PolarHBondContact N-O 2.81Å; H450-V573 PolarHBondContact O-N 2.63Å; E460-V573 HydrophobicContact CB-CG2 4.09Å; V546-V573 HydrophobicContact CG1-CG1 3.77Å; Q547-V573 CarbonylContact O-C 3.51Å; Q547-V573 WeakPolarHBondContact O-CA 3.44Å; L548-V573 HydrophobicContact CD1-CG2 3.95Å
574	H	97.7	Very high	96.5	Very high	7 Å²	7	32 Å²	32	3%	0.032	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135	172.4	-58.8	-104.2	0	0	0	109.3	H449 Y525 V546 Q547 D549	H449-H574 AromaticContact CD2-CE1 3.48Å; H449-H574 PolarHBondContact CD2-CE1 3.41Å; H449-H574 VanDerWaalsContact CD2-CE1 3.48Å; H449-H574 AromaticContact CD2-CG 3.77Å; H449-H574 AromaticContact CD2-ND1 3.06Å; H449-H574 PolarHBondContact CD2-ND1 3.5Å; H449-H574 AromaticContact NE2-CE1 3.65Å; H449-H574 AromaticContact NE2-CG 3.94Å; H449-H574 AromaticContact NE2-ND1 2.99Å; H449-H574 PolarHBondContact NE2-ND1 3.02Å; Y525-H574 AromaticContact CE2-NE2 3.85Å; V546-H574 CarbonylContact C-O 3.58Å; V546-H574 VanDerWaalsContact CA-O 3.32Å; V546-H574 WeakPolarHBondContact CA-O 3.43Å; Q547-H574 HydrophobicContact CB-CB 3.94Å; Q547-H574 HydrophobicContact CG-CB 4.06Å; Q547-H574 PolarHBondContact N-O 3.42Å; Q547-H574 PolarHBondContact O-N 2.8Å; D549-H574 VanDerWaalsContact CB-CD2 3.48Å; D549-H574 WeakPolarHBondContact CB-CD2 3.16Å; D549-H574 WeakPolarHBondContact CB-NE2 3.3Å; D549-H574 IonicContact OD2-CE1 2.72Å; D549-H574 IonicContact OD2-NE2 3.49Å; D549-H574 PolarHBondContact OD2-NE2 3.06Å
575	R	96.7	Very high	96.6	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	130.4	-175.9	-173.4	-88	-55.4	130.6	-20.5	111.6	Y354 D446 A448 C464 T545 I577	Y354-R575 VanDerWaalsContact CZ-NH2 3.31Å; Y354-R575 PolarHBondContact OH-NE 2.81Å; D446-R575 PolarHBondContact O-NH1 2.85Å; A448-R575 VanDerWaalsContact CB-NH1 3.33Å; A448-R575 PolarHBondContact N-O 3.48Å; A448-R575 PolarHBondContact O-N 2.62Å; C464-R575 HydrophobicContact CB-CG 3.98Å; T545-R575 WeakPolarHBondContact O-CA 2.79Å; R575-I577 VanDerWaalsContact CD-CD1 3.49Å; R575-I577 HydrophobicContact CG-CD1 4.18Å
576	A	96.9	Very high	96.5	Very high	3 Å²	3	23.3 Å²	23.3	3%	0.025	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.8	163	0	0	0	0	0	108.8	A544 T545	A544-A576 WeakPolarHBondContact CA-O 2.98Å; A544-A576 WeakPolarHBondContact CB-O 3.46Å; T545-A576 HydrophobicContact CG2-CB 4.32Å; T545-A576 PolarHBondContact N-O 2.76Å; T545-A576 PolarHBondContact O-N 3.08Å
577	I	96.4	Very high	96.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-98.5	-48.6	179.1	-56.4	-58	0	0	0	110.7	D446 F467 L468 V471 Y472 A544 R575	D446-I577 PolarHBondContact OD1-N 2.77Å; D446-I577 WeakPolarHBondContact OD2-CA 3.24Å; D446-I577 VanDerWaalsContact OD2-CB 3.25Å; D446-I577 WeakPolarHBondContact OD2-CB 3Å; D446-I577 PolarHBondContact OD2-N 2.63Å; F467-I577 HydrophobicContact CB-CD1 4.4Å; F467-I577 HydrophobicContact CD1-CD1 3.99Å; F467-I577 HydrophobicContact CD1-CG1 3.67Å; F467-I577 HydrophobicContact CE1-CG1 3.69Å; F467-I577 HydrophobicContact CG-CD1 4.25Å; F467-I577 HydrophobicContact CG-CG1 4.15Å; F467-I577 HydrophobicContact CZ-CG1 4.18Å; L468-I577 HydrophobicContact CB-CD1 3.92Å; V471-I577 HydrophobicContact CB-CG2 3.66Å; V471-I577 HydrophobicContact CG1-CG2 3.74Å; V471-I577 HydrophobicContact CG2-CG2 3.77Å; Y472-I577 HydrophobicContact CD2-CG2 4.42Å; Y472-I577 HydrophobicContact CE2-CG2 3.98Å; Y472-I577 WeakPolarHBondContact CE2-O 3.33Å; Y472-I577 PolarHBondContact OH-O 3.14Å; A544-I577 WeakPolarHBondContact CB-O 3.31Å; R575-I577 VanDerWaalsContact CD-CD1 3.49Å; R575-I577 HydrophobicContact CG-CD1 4.18Å
578	L	95.5	Very high	96.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.055	C	C	.	.	S	Bend	trans	-84.2	-29.1	175.1	-57.7	-176	0	0	0	111.2	L341 L345 D446 V471 F475 C543 I581 M584	L341-L578 HydrophobicContact CB-CD1 4.28Å; L345-L578 HydrophobicContact CD1-CD1 3.51Å; L345-L578 HydrophobicContact CD1-CG 3.82Å; L345-L578 HydrophobicContact CD2-CD1 4.32Å; L345-L578 HydrophobicContact CD2-CG 4.23Å; L345-L578 HydrophobicContact CG-CD1 3.93Å; L345-L578 HydrophobicContact CG-CG 4.33Å; D446-L578 VanDerWaalsContact CG-N 3.35Å; D446-L578 PolarHBondContact OD1-N 3.4Å; D446-L578 PolarHBondContact OD2-N 2.92Å; V471-L578 HydrophobicContact CG1-CD2 3.64Å; F475-L578 HydrophobicContact CE2-CD2 3.72Å; F475-L578 HydrophobicContact CZ-CD2 4.28Å; C543-L578 CarbonylContact O-C 3.5Å; L578-I581 HydrophobicContact CB-CD1 4.44Å; L578-I581 HydrophobicContact CD1-CD1 3.67Å; L578-M584 HydrophobicContact CB-CB 4.13Å; L578-M584 HydrophobicContact CB-CE 4.09Å; L578-M584 HydrophobicContact CB-CG 4.16Å; L578-M584 HydrophobicContact CD1-CG 4.32Å; L578-M584 HydrophobicContact CD2-CE 3.78Å; L578-M584 HydrophobicContact CD2-CG 3.99Å; L578-M584 HydrophobicContact CD2-SD 4.3Å; L578-M584 HydrophobicContact CG-CG 4.37Å
579	G	94	Very high	96.1	Very high	3 Å²	3	8.9 Å²	8.9	3%	0.031	4%	0.038	C	C	.	.	S	Bend	trans	86	-125.6	-165.6	0	0	0	0	0	108.6	Q445 D446 C543	Q445-G579 WeakPolarHBondContact CA-O 3.31Å; Q445-G579 VanDerWaalsContact CB-O 3.29Å; Q445-G579 WeakPolarHBondContact CB-O 3.37Å; Q445-G579 WeakPolarHBondContact CG-O 3.44Å; D446-G579 PolarHBondContact N-O 2.9Å; D446-G579 PolarHBondContact OD1-N 3.49Å; D446-G579 VanDerWaalsContact OD1-O 3.08Å; C543-G579 WeakPolarHBondContact O-CA 3.4Å; C543-G579 PolarHBondContact O-N 3.39Å
580	S	95.9	Very high	95.9	Very high	12 Å²	12	5.5 Å²	5.5	8%	0.084	3%	0.026	C	C	.	.	B	Isolated β-bridge	trans	-85.1	142.2	166.4	66.2	0	0	0	0	111.1	Q444 E582 R583 M584	Q444-S580 VanDerWaalsContact O-CA 3.29Å; Q444-S580 WeakPolarHBondContact O-CA 3.05Å; S580-E582 PolarHBondContact O-N 3.1Å; S580-R583 PolarHBondContact O-N 3.26Å; S580-R583 WeakPolarHBondContact OG-CB 3.45Å; S580-R583 PolarHBondContact OG-N 2.91Å; S580-R583 VanDerWaalsContact OG-N 3.1Å; S580-M584 WeakPolarHBondContact O-CB 3.26Å; S580-M584 PolarHBondContact O-N 2.87Å
581	I	97.4	Very high	95.5	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-61	-38.3	175.2	-54.3	-56.9	0	0	0	109.8	Y338 L341 V342 F422 Q444 L578 M584 I585	Y338-I581 HydrophobicContact CD1-CG2 4.01Å; Y338-I581 HydrophobicContact CD2-CB 4.18Å; Y338-I581 HydrophobicContact CD2-CG2 3.46Å; Y338-I581 VanDerWaalsContact CD2-CG2 3.46Å; Y338-I581 HydrophobicContact CE1-CB 4.3Å; Y338-I581 HydrophobicContact CE1-CG1 4.35Å; Y338-I581 HydrophobicContact CE1-CG2 4.01Å; Y338-I581 HydrophobicContact CE2-CB 3.63Å; Y338-I581 HydrophobicContact CE2-CG1 4.48Å; Y338-I581 HydrophobicContact CE2-CG2 3.45Å; Y338-I581 VanDerWaalsContact CE2-CG2 3.45Å; Y338-I581 HydrophobicContact CG-CG2 3.73Å; L341-I581 HydrophobicContact CD1-CG2 4.13Å; V342-I581 HydrophobicContact CG2-CD1 4.41Å; V342-I581 HydrophobicContact CG2-CG1 4.38Å; F422-I581 HydrophobicContact CE1-CD1 4.17Å; Q444-I581 PolarHBondContact O-N 3.17Å; L578-I581 HydrophobicContact CB-CD1 4.44Å; L578-I581 HydrophobicContact CD1-CD1 3.67Å; I581-M584 PolarHBondContact O-N 3.45Å; I581-I585 HydrophobicContact CG2-CD1 4.02Å; I581-I585 HydrophobicContact CG2-CG1 4.39Å; I581-I585 VanDerWaalsContact O-CG1 3.3Å; I581-I585 WeakPolarHBondContact O-CG1 3.47Å; I581-I585 PolarHBondContact O-N 3.04Å
582	E	97	Very high	95.3	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.009	4%	0.036	C	C	.	.	H	α-helix	trans	-55.9	-54.1	174.3	-68.9	80.3	177.9	0	0	112	F330 L437 V440 R442 F443 Q444 S580 M584 I585 A586	F330-E582 HydrophobicContact CE2-CG 4.06Å; F330-E582 HydrophobicContact CZ-CG 4.03Å; L437-E582 HydrophobicContact CB-CB 4.35Å; L437-E582 WeakPolarHBondContact CB-O 3.19Å; L437-E582 HydrophobicContact CD2-CB 4.04Å; L437-E582 HydrophobicContact CD2-CG 4.14Å; L437-E582 CarbonylContact O-C 3.41Å; V440-E582 HydrophobicContact CG2-CB 4.41Å; R442-E582 IonicContact CZ-OE1 2.76Å; R442-E582 IonicContact NH1-OE1 3.02Å; R442-E582 PolarHBondContact NH1-OE1 3.31Å; F443-E582 WeakPolarHBondContact CA-OE1 3.4Å; F443-E582 WeakPolarHBondContact CA-OE2 3.39Å; F443-E582 HydrophobicContact CB-CG 4.39Å; F443-E582 VanDerWaalsContact CB-OE2 3.23Å; F443-E582 WeakPolarHBondContact CB-OE2 3.46Å; Q444-E582 PolarHBondContact N-OE1 2.77Å; Q444-E582 PolarHBondContact N-OE2 2.94Å; Q444-E582 VanDerWaalsContact N-OE2 3.1Å; S580-E582 PolarHBondContact O-N 3.1Å; E582-M584 VanDerWaalsContact C-N 3.3Å; E582-M584 PolarHBondContact O-N 3.39Å; E582-I585 PolarHBondContact O-N 3.17Å; E582-A586 PolarHBondContact O-N 3.2Å; E582-A586 VanDerWaalsContact O-N 3.07Å
583	R	94.5	Very high	95	Very high	73 Å²	73	8.6 Å²	8.6	28%	0.275	5%	0.045	S	C	.	.	H	α-helix	trans	-62.4	-41.5	179.8	179.5	177.6	-67.2	177.6	0.1	110.5	L437 T438 Q542 S580 I585 A586 V587	L437-R583 WeakPolarHBondContact O-CA 3.27Å; L437-R583 PolarHBondContact O-N 3.4Å; T438-R583 PolarHBondContact O-NE 2.86Å; T438-R583 PolarHBondContact O-NH2 3.29Å; Q542-R583 PolarHBondContact O-NH1 3.4Å; S580-R583 PolarHBondContact O-N 3.26Å; S580-R583 WeakPolarHBondContact OG-CB 3.45Å; S580-R583 PolarHBondContact OG-N 2.91Å; S580-R583 VanDerWaalsContact OG-N 3.1Å; R583-I585 PolarHBondContact O-N 3.37Å; R583-A586 VanDerWaalsContact O-CB 3.24Å; R583-A586 WeakPolarHBondContact O-CB 3.05Å; R583-A586 PolarHBondContact O-N 3.48Å; R583-A586 VanDerWaalsContact O-N 3.14Å; R583-V587 HydrophobicContact CG-CG2 4.36Å; R583-V587 WeakPolarHBondContact O-CG2 3.44Å; R583-V587 PolarHBondContact O-N 3.46Å
584	M	95.6	Very high	94.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.2	-41.9	178.1	-176.8	54	65.1	0	0	112.1	L341 F475 F477 C543 L578 S580 I581 E582 A586 V587 L588	L341-M584 HydrophobicContact CD1-CG 4.37Å; F475-M584 HydrophobicContact CE2-SD 4.32Å; F477-M584 HydrophobicContact CE2-CE 4.47Å; F477-M584 HydrophobicContact CE2-SD 3.92Å; F477-M584 HydrophobicContact CZ-SD 4.39Å; C543-M584 HydrophobicContact CB-CE 4.24Å; L578-M584 HydrophobicContact CB-CB 4.13Å; L578-M584 HydrophobicContact CB-CE 4.09Å; L578-M584 HydrophobicContact CB-CG 4.16Å; L578-M584 HydrophobicContact CD1-CG 4.32Å; L578-M584 HydrophobicContact CD2-CE 3.78Å; L578-M584 HydrophobicContact CD2-CG 3.99Å; L578-M584 HydrophobicContact CD2-SD 4.3Å; L578-M584 HydrophobicContact CG-CG 4.37Å; S580-M584 WeakPolarHBondContact O-CB 3.26Å; S580-M584 PolarHBondContact O-N 2.87Å; I581-M584 PolarHBondContact O-N 3.45Å; E582-M584 VanDerWaalsContact C-N 3.3Å; E582-M584 PolarHBondContact O-N 3.39Å; M584-A586 VanDerWaalsContact C-N 3.29Å; M584-A586 PolarHBondContact O-N 3.05Å; M584-V587 PolarHBondContact O-N 3.1Å; M584-L588 HydrophobicContact CG-CD1 3.68Å; M584-L588 HydrophobicContact CG-CG 4.19Å; M584-L588 WeakPolarHBondContact O-CB 3.43Å; M584-L588 VanDerWaalsContact O-CG 3.25Å; M584-L588 WeakPolarHBondContact O-CG 3.36Å; M584-L588 PolarHBondContact O-N 2.84Å; M584-L588 HydrophobicContact SD-CD1 3.87Å; M584-L588 HydrophobicContact SD-CD2 4.3Å; M584-L588 HydrophobicContact SD-CG 3.78Å
585	I	96.6	Very high	94.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.6	-41.7	173.5	-70	169.9	0	0	0	110.6	F330 I337 Y338 L341 L437 I581 E582 R583 T589	F330-I585 HydrophobicContact CE1-CD1 3.71Å; F330-I585 HydrophobicContact CZ-CD1 4.12Å; I337-I585 HydrophobicContact CG2-CD1 4.33Å; I337-I585 HydrophobicContact CG2-CG1 3.97Å; Y338-I585 HydrophobicContact CD2-CD1 3.76Å; Y338-I585 HydrophobicContact CG-CD1 4.3Å; L341-I585 HydrophobicContact CD1-CD1 4.47Å; L341-I585 HydrophobicContact CD1-CG1 3.72Å; L437-I585 HydrophobicContact CD1-CB 4.19Å; L437-I585 HydrophobicContact CD1-CG2 3.86Å; I581-I585 HydrophobicContact CG2-CD1 4.02Å; I581-I585 HydrophobicContact CG2-CG1 4.39Å; I581-I585 VanDerWaalsContact O-CG1 3.3Å; I581-I585 WeakPolarHBondContact O-CG1 3.47Å; I581-I585 PolarHBondContact O-N 3.04Å; E582-I585 PolarHBondContact O-N 3.17Å; R583-I585 PolarHBondContact O-N 3.37Å; I585-T589 VanDerWaalsContact O-CB 3.31Å; I585-T589 WeakPolarHBondContact O-CB 3.17Å; I585-T589 PolarHBondContact O-N 3.38Å; I585-T589 PolarHBondContact O-OG1 3.19Å
586	A	94.2	Very high	94.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.4	-52.2	176	0	0	0	0	0	111.6	H308 L437 T438 E582 R583 M584 L588 T589 E590	H308-A586 HydrophobicContact CB-CB 4.27Å; L437-A586 HydrophobicContact CB-CB 3.83Å; T438-A586 HydrophobicContact CG2-CB 3.67Å; E582-A586 PolarHBondContact O-N 3.2Å; E582-A586 VanDerWaalsContact O-N 3.07Å; R583-A586 VanDerWaalsContact O-CB 3.24Å; R583-A586 WeakPolarHBondContact O-CB 3.05Å; R583-A586 PolarHBondContact O-N 3.48Å; R583-A586 VanDerWaalsContact O-N 3.14Å; M584-A586 VanDerWaalsContact C-N 3.29Å; M584-A586 PolarHBondContact O-N 3.05Å; A586-L588 PolarHBondContact O-N 3.44Å; A586-T589 PolarHBondContact O-N 3.1Å; A586-E590 PolarHBondContact O-N 3.2Å
587	V	93.1	Very high	94.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.9	-43.8	-178.6	176	0	0	0	0	110.7	F477 V533 D535 H541 R583 M584 E590 N591	F477-V587 HydrophobicContact CE1-CG1 3.85Å; F477-V587 HydrophobicContact CZ-CG1 3.67Å; V533-V587 HydrophobicContact CG1-CG1 4.16Å; D535-V587 HydrophobicContact CB-CG1 4.47Å; H541-V587 HydrophobicContact CB-CG2 4.02Å; R583-V587 HydrophobicContact CG-CG2 4.36Å; R583-V587 WeakPolarHBondContact O-CG2 3.44Å; R583-V587 PolarHBondContact O-N 3.46Å; M584-V587 PolarHBondContact O-N 3.1Å; V587-E590 PolarHBondContact O-N 2.97Å; V587-N591 WeakPolarHBondContact O-CB 3.47Å; V587-N591 PolarHBondContact O-N 3.47Å
588	L	94.7	Very high	94.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67	-40.1	177.9	-68.7	167	0	0	0	112.3	L341 F475 F477 M584 A586 E590 N591 F592 W596 L600	L341-L588 HydrophobicContact CD1-CD1 4.14Å; L341-L588 HydrophobicContact CD2-CD1 3.85Å; F475-L588 HydrophobicContact CB-CD2 4.09Å; F475-L588 HydrophobicContact CD1-CD1 4.42Å; F475-L588 HydrophobicContact CD1-CD2 3.49Å; F475-L588 VanDerWaalsContact CD1-CD2 3.49Å; F475-L588 HydrophobicContact CD2-CD2 4.25Å; F475-L588 HydrophobicContact CE1-CD1 3.96Å; F475-L588 HydrophobicContact CE1-CD2 3.9Å; F475-L588 HydrophobicContact CG-CD2 3.7Å; F475-L588 HydrophobicContact CZ-CD1 4.14Å; F475-L588 HydrophobicContact CZ-CD2 4.45Å; F477-L588 HydrophobicContact CE1-CD2 4.49Å; F477-L588 HydrophobicContact CE2-CD2 3.7Å; F477-L588 HydrophobicContact CE2-CG 4.47Å; F477-L588 HydrophobicContact CZ-CD2 3.42Å; F477-L588 VanDerWaalsContact CZ-CD2 3.42Å; F477-L588 HydrophobicContact CZ-CG 4.1Å; M584-L588 HydrophobicContact CG-CD1 3.68Å; M584-L588 HydrophobicContact CG-CG 4.19Å; M584-L588 WeakPolarHBondContact O-CB 3.43Å; M584-L588 VanDerWaalsContact O-CG 3.25Å; M584-L588 WeakPolarHBondContact O-CG 3.36Å; M584-L588 PolarHBondContact O-N 2.84Å; M584-L588 HydrophobicContact SD-CD1 3.87Å; M584-L588 HydrophobicContact SD-CD2 4.3Å; M584-L588 HydrophobicContact SD-CG 3.78Å; A586-L588 PolarHBondContact O-N 3.44Å; L588-E590 VanDerWaalsContact C-N 3.32Å; L588-E590 PolarHBondContact O-N 3.15Å; L588-N591 PolarHBondContact O-N 2.96Å; L588-F592 HydrophobicContact CB-CD2 4.21Å; L588-F592 HydrophobicContact CB-CE2 4.17Å; L588-F592 HydrophobicContact CD2-CD2 4.41Å; L588-F592 HydrophobicContact CD2-CE2 3.61Å; L588-F592 HydrophobicContact CD2-CZ 4.13Å; L588-F592 HydrophobicContact CG-CE2 4.46Å; L588-F592 WeakPolarHBondContact O-CB 3.12Å; L588-F592 WeakPolarHBondContact O-CD2 3.4Å; L588-F592 PolarHBondContact O-N 3.09Å; L588-W596 HydrophobicContact CB-CH2 4.11Å; L588-W596 HydrophobicContact CB-CZ3 3.68Å; L588-L600 HydrophobicContact CD1-CD2 4.02Å
589	T	94.4	Very high	94.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.1	-48.5	176.1	-56.6	0	0	0	0	110.1	H308 M311 I585 A586 G593 G594 W596	H308-T589 HydrophobicContact CB-CG2 4.07Å; M311-T589 HydrophobicContact CB-CG2 3.61Å; M311-T589 HydrophobicContact CG-CG2 4.28Å; M311-T589 HydrophobicContact SD-CG2 4.11Å; I585-T589 VanDerWaalsContact O-CB 3.31Å; I585-T589 WeakPolarHBondContact O-CB 3.17Å; I585-T589 PolarHBondContact O-N 3.38Å; I585-T589 PolarHBondContact O-OG1 3.19Å; A586-T589 PolarHBondContact O-N 3.1Å; T589-G593 WeakPolarHBondContact O-CA 3.32Å; T589-G593 PolarHBondContact O-N 2.89Å; T589-G594 PolarHBondContact O-N 3.39Å; T589-W596 HydrophobicContact CG2-CZ2 4.21Å; T589-W596 WeakPolarHBondContact OG1-CH2 3.26Å; T589-W596 WeakPolarHBondContact OG1-CZ2 3.48Å
590	E	92.1	Very high	94.8	Very high	5 Å²	5	13 Å²	13	2%	0.023	6%	0.063	C	C	.	.	H	α-helix	trans	-68.7	-39.6	179.8	-78.3	169.4	177.3	0	0	112.2	R306 H308 R539 A586 V587 L588 G593	R306-E590 WeakPolarHBondContact O-CG 3.5Å; H308-E590 HydrophobicContact CB-CG 4.07Å; H308-E590 IonicContact CE1-OE1 3.49Å; H308-E590 IonicContact CG-OE1 3.5Å; H308-E590 PolarHBondContact N-OE1 3.4Å; H308-E590 VanDerWaalsContact N-OE1 3.09Å; H308-E590 IonicContact ND1-OE1 3.61Å; H308-E590 PolarHBondContact ND1-OE1 3.42Å; R539-E590 IonicContact CZ-OE2 3.42Å; R539-E590 IonicContact NH1-OE2 2.63Å; R539-E590 VanDerWaalsContact NH2-CD 3.27Å; R539-E590 IonicContact NH2-OE1 3.55Å; R539-E590 IonicContact NH2-OE2 3.52Å; R539-E590 PolarHBondContact NH2-OE2 3.04Å; A586-E590 PolarHBondContact O-N 3.2Å; V587-E590 PolarHBondContact O-N 2.97Å; L588-E590 VanDerWaalsContact C-N 3.32Å; L588-E590 PolarHBondContact O-N 3.15Å; E590-G593 PolarHBondContact O-N 3.19Å
591	N	91.2	Very high	94.8	Very high	25 Å²	25	12.5 Å²	12.5	13%	0.134	6%	0.059	C	C	.	.	H	α-helix	trans	-66	-45.1	179.6	-173.9	65.2	0	0	0	112.6	F477 A536 V587 L588 G593	F477-N591 HydrophobicContact CE1-CB 3.73Å; F477-N591 VanDerWaalsContact CE1-CG 3.44Å; F477-N591 HydrophobicContact CZ-CB 4.4Å; A536-N591 PolarHBondContact N-OD1 2.66Å; V587-N591 WeakPolarHBondContact O-CB 3.47Å; V587-N591 PolarHBondContact O-N 3.47Å; L588-N591 PolarHBondContact O-N 2.96Å; N591-G593 VanDerWaalsContact C-N 3.3Å
592	F	92	Very high	94.8	Very high	30 Å²	30	12.7 Å²	12.7	13%	0.132	6%	0.061	C	C	.	.	H	α-helix	trans	-83.4	-6	177.4	-62.5	-50	0	0	0	113.2	L588 G594 K595 W596 P597 L600	L588-F592 HydrophobicContact CB-CD2 4.21Å; L588-F592 HydrophobicContact CB-CE2 4.17Å; L588-F592 HydrophobicContact CD2-CD2 4.41Å; L588-F592 HydrophobicContact CD2-CE2 3.61Å; L588-F592 HydrophobicContact CD2-CZ 4.13Å; L588-F592 HydrophobicContact CG-CE2 4.46Å; L588-F592 WeakPolarHBondContact O-CB 3.12Å; L588-F592 WeakPolarHBondContact O-CD2 3.4Å; L588-F592 PolarHBondContact O-N 3.09Å; F592-G594 PolarHBondContact O-N 3.14Å; F592-K595 WeakPolarHBondContact O-CB 3.35Å; F592-K595 PolarHBondContact O-N 3.39Å; F592-W596 HydrophobicContact CD2-CE3 4.02Å; F592-W596 HydrophobicContact CD2-CZ3 4.26Å; F592-P597 HydrophobicContact CE2-CG 4.08Å; F592-P597 HydrophobicContact CZ-CG 4.05Å; F592-L600 HydrophobicContact CE2-CD2 4.44Å
593	G	90.8	Very high	94.9	Very high	19 Å²	19	14.2 Å²	14.2	20%	0.196	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	42.7	-171.5	0	0	0	0	0	111.3	M311 T589 E590 N591 K595	M311-G593 VanDerWaalsContact CE-C 3.43Å; M311-G593 VanDerWaalsContact CE-O 3.29Å; M311-G593 WeakPolarHBondContact CE-O 3.27Å; T589-G593 WeakPolarHBondContact O-CA 3.32Å; T589-G593 PolarHBondContact O-N 2.89Å; E590-G593 PolarHBondContact O-N 3.19Å; N591-G593 VanDerWaalsContact C-N 3.3Å; G593-K595 PolarHBondContact O-N 3.33Å; G593-K595 VanDerWaalsContact O-N 3.09Å
594	G	91.9	Very high	95	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	6.6	-175.2	0	0	0	0	0	116	M311 Q315 T589 F592 W596	M311-G594 VanDerWaalsContact CE-CA 3.43Å; M311-G594 PolarHBondContact SD-N 3.44Å; M311-G594 VanDerWaalsContact SD-N 3.4Å; Q315-G594 PolarHBondContact NE2-O 2.59Å; T589-G594 PolarHBondContact O-N 3.39Å; F592-G594 PolarHBondContact O-N 3.14Å; G594-W596 VanDerWaalsContact O-CD1 3.3Å; G594-W596 PolarHBondContact O-N 2.99Å
595	K	93.9	Very high	95.2	Very high	92 Å²	92	10.8 Å²	10.8	40%	0.4	5%	0.053	S	C	.	.			trans	-89.5	74.7	174.4	-62.6	-168.6	170.9	-165.9	0	111	F592 G593 R675 D676	F592-K595 WeakPolarHBondContact O-CB 3.35Å; F592-K595 PolarHBondContact O-N 3.39Å; G593-K595 PolarHBondContact O-N 3.33Å; G593-K595 VanDerWaalsContact O-N 3.09Å; K595-R675 VanDerWaalsContact CA-NH1 3.32Å; K595-D676 IonicContact NZ-OD1 2.8Å; K595-D676 PolarHBondContact NZ-OD1 3.46Å
596	W	96.1	Very high	95.3	Very high	5 Å²	5	11.3 Å²	11.3	2%	0.019	6%	0.056	C	C	.	.			trans	-60.2	137.3	-174.5	-58	99.5	0	0	0	112.9	L317 I337 L588 T589 F592 G594 L600 N655 R675	L317-W596 HydrophobicContact CD1-CZ2 3.91Å; I337-W596 HydrophobicContact CD1-CD2 4.08Å; I337-W596 HydrophobicContact CD1-CE3 4.43Å; I337-W596 HydrophobicContact CD1-CH2 3.97Å; I337-W596 HydrophobicContact CD1-CZ2 3.59Å; I337-W596 HydrophobicContact CD1-CZ3 4.37Å; I337-W596 HydrophobicContact CG2-CH2 4.28Å; I337-W596 HydrophobicContact CG2-CZ3 4.17Å; L588-W596 HydrophobicContact CB-CH2 4.11Å; L588-W596 HydrophobicContact CB-CZ3 3.68Å; T589-W596 HydrophobicContact CG2-CZ2 4.21Å; T589-W596 WeakPolarHBondContact OG1-CH2 3.26Å; T589-W596 WeakPolarHBondContact OG1-CZ2 3.48Å; F592-W596 HydrophobicContact CD2-CE3 4.02Å; F592-W596 HydrophobicContact CD2-CZ3 4.26Å; G594-W596 VanDerWaalsContact O-CD1 3.3Å; G594-W596 PolarHBondContact O-N 2.99Å; W596-L600 HydrophobicContact CE3-CD2 3.63Å; W596-L600 HydrophobicContact CE3-CG 3.9Å; W596-L600 HydrophobicContact CZ3-CD2 3.72Å; W596-L600 HydrophobicContact CZ3-CG 4.27Å; W596-N655 PolarHBondContact O-ND2 3.3Å; W596-R675 PolarHBondContact O-NH2 3.25Å; W596-R675 VanDerWaalsContact O-NH2 3.13Å
597	P	96.3	Very high	95.5	Very high	5 Å²	5	11.3 Å²	11.3	3%	0.032	6%	0.056	C	C	.	.			trans	-63	149.4	169.3	28.8	-34.3	0	0	0	109.6	F592 W599 L600 S601	F592-P597 HydrophobicContact CE2-CG 4.08Å; F592-P597 HydrophobicContact CZ-CG 4.05Å; P597-W599 PolarHBondContact O-N 3.5Å; P597-L600 HydrophobicContact CG-CB 4.05Å; P597-L600 PolarHBondContact O-N 3.47Å; P597-S601 WeakPolarHBondContact O-CB 3.45Å; P597-S601 PolarHBondContact O-N 3.45Å
598	F	97.9	Very high	95.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-42.6	-170.6	176.3	-93.7	0	0	0	113.6	L600 S601 Q604 F630 N655 Y656 F692 L695 S703	F598-L600 PolarHBondContact O-N 3.43Å; F598-S601 PolarHBondContact O-N 3Å; F598-Q604 HydrophobicContact CD2-CB 4Å; F598-Q604 HydrophobicContact CD2-CG 4.4Å; F598-Q604 HydrophobicContact CE2-CB 3.55Å; F598-Q604 HydrophobicContact CE2-CG 4.2Å; F598-Q604 HydrophobicContact CZ-CB 4.05Å; F598-Q604 HydrophobicContact CZ-CG 4.43Å; F598-Q604 PolarHBondContact O-NE2 2.88Å; F598-F630 AromaticContact CE1-CD1 3.92Å; F598-F630 HydrophobicContact CE1-CD1 3.92Å; F598-F630 AromaticContact CE1-CE1 3.88Å; F598-F630 HydrophobicContact CE1-CE1 3.88Å; F598-F630 AromaticContact CZ-CD1 3.83Å; F598-F630 HydrophobicContact CZ-CD1 3.83Å; F598-F630 HydrophobicContact CZ-CE1 4.17Å; F598-N655 WeakPolarHBondContact CA-ND2 3.46Å; F598-N655 HydrophobicContact CD2-CB 4.11Å; F598-N655 PolarHBondContact N-ND2 3.47Å; F598-Y656 AromaticContact CD2-CD2 3.73Å; F598-Y656 HydrophobicContact CD2-CD2 3.73Å; F598-Y656 AromaticContact CD2-CE2 3.39Å; F598-Y656 HydrophobicContact CD2-CE2 3.39Å; F598-Y656 AromaticContact CE2-CD2 3.77Å; F598-Y656 HydrophobicContact CE2-CD2 3.77Å; F598-Y656 AromaticContact CE2-CE2 3.74Å; F598-Y656 HydrophobicContact CE2-CE2 3.74Å; F598-Y656 HydrophobicContact CG-CE2 4.2Å; F598-F692 HydrophobicContact CE1-CB 3.75Å; F598-F692 HydrophobicContact CE1-CD1 4.22Å; F598-F692 AromaticContact CE1-CG 4Å; F598-F692 HydrophobicContact CE1-CG 4Å; F598-F692 WeakPolarHBondContact CE1-O 3.38Å; F598-F692 HydrophobicContact CE2-CB 4.48Å; F598-F692 AromaticContact CE2-CD1 3.67Å; F598-F692 HydrophobicContact CE2-CD1 3.67Å; F598-F692 HydrophobicContact CE2-CD2 4.07Å; F598-F692 AromaticContact CE2-CE1 3.75Å; F598-F692 HydrophobicContact CE2-CE1 3.75Å; F598-F692 HydrophobicContact CE2-CE2 4.14Å; F598-F692 AromaticContact CE2-CG 3.83Å; F598-F692 HydrophobicContact CE2-CG 3.83Å; F598-F692 AromaticContact CE2-CZ 3.99Å; F598-F692 HydrophobicContact CE2-CZ 3.99Å; F598-F692 HydrophobicContact CZ-CB 3.47Å; F598-F692 VanDerWaalsContact CZ-CB 3.47Å; F598-F692 AromaticContact CZ-CD1 3.5Å; F598-F692 HydrophobicContact CZ-CD1 3.5Å; F598-F692 VanDerWaalsContact CZ-CD1 3.5Å; F598-F692 AromaticContact CZ-CD2 3.61Å; F598-F692 HydrophobicContact CZ-CD2 3.61Å; F598-F692 HydrophobicContact CZ-CE1 4.05Å; F598-F692 HydrophobicContact CZ-CE2 4.15Å; F598-F692 AromaticContact CZ-CG 3.24Å; F598-F692 HydrophobicContact CZ-CG 3.24Å; F598-F692 HydrophobicContact CZ-CZ 4.35Å; F598-L695 HydrophobicContact CB-CD1 4.49Å; F598-L695 HydrophobicContact CD1-CB 3.66Å; F598-L695 HydrophobicContact CD1-CD1 4.21Å; F598-L695 HydrophobicContact CE1-CB 4.24Å; F598-L695 HydrophobicContact CG-CB 4.3Å; F598-L695 HydrophobicContact CG-CD1 4.2Å; F598-S703 VanDerWaalsContact CB-OG 3.31Å; F598-S703 WeakPolarHBondContact CB-OG 3.35Å; F598-S703 PolarHBondContact N-OG 3.03Å
599	W	97.3	Very high	95.9	Very high	5 Å²	5	11.6 Å²	11.6	2%	0.019	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.7	-176.7	72.7	-96.5	0	0	0	114.2	T340 F344 T474 F475 P597 K696 Y699	T340-W599 HydrophobicContact CG2-CE3 3.8Å; T340-W599 HydrophobicContact CG2-CZ3 3.91Å; T340-W599 WeakPolarHBondContact CG2-O 3.38Å; F344-W599 HydrophobicContact CB-CZ3 4.22Å; F344-W599 HydrophobicContact CD1-CH2 4.49Å; F344-W599 HydrophobicContact CG-CH2 4.32Å; F344-W599 HydrophobicContact CG-CZ3 4.33Å; T474-W599 HydrophobicContact CG2-CZ2 4.17Å; F475-W599 HydrophobicContact CD1-CH2 4.41Å; F475-W599 HydrophobicContact CD1-CZ2 4.04Å; F475-W599 AromaticContact CE1-CH2 3.55Å; F475-W599 HydrophobicContact CE1-CH2 3.55Å; F475-W599 AromaticContact CE1-CZ2 3.63Å; F475-W599 HydrophobicContact CE1-CZ2 3.63Å; F475-W599 HydrophobicContact CZ-CH2 4.24Å; P597-W599 PolarHBondContact O-N 3.5Å; W599-K696 HydrophobicContact CB-CB 4.41Å; W599-K696 HydrophobicContact CB-CG 4.35Å; W599-Y699 VanDerWaalsContact CD1-C 3.5Å; W599-Y699 AromaticContact CD2-CD1 3.94Å; W599-Y699 HydrophobicContact CD2-CD1 3.94Å; W599-Y699 HydrophobicContact CE3-CD1 4.01Å; W599-Y699 HydrophobicContact CG-CD1 4.31Å; W599-Y699 HydrophobicContact CZ3-CD1 4.34Å; W599-Y699 PolarHBondContact NE1-O 3.3Å
600	L	97.4	Very high	96	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-17.9	-178.7	-170.6	58.5	0	0	0	112.8	I337 T340 L341 L588 F592 W596 P597 F598	I337-L600 HydrophobicContact CB-CD1 4.46Å; I337-L600 HydrophobicContact CG2-CD1 3.8Å; I337-L600 HydrophobicContact CG2-CG 4.11Å; T340-L600 HydrophobicContact CG2-CD1 3.81Å; L341-L600 HydrophobicContact CD2-CD1 4Å; L341-L600 HydrophobicContact CD2-CD2 4.4Å; L341-L600 HydrophobicContact CG-CD1 3.99Å; L588-L600 HydrophobicContact CD1-CD2 4.02Å; F592-L600 HydrophobicContact CE2-CD2 4.44Å; W596-L600 HydrophobicContact CE3-CD2 3.63Å; W596-L600 HydrophobicContact CE3-CG 3.9Å; W596-L600 HydrophobicContact CZ3-CD2 3.72Å; W596-L600 HydrophobicContact CZ3-CG 4.27Å; P597-L600 HydrophobicContact CG-CB 4.05Å; P597-L600 PolarHBondContact O-N 3.47Å; F598-L600 PolarHBondContact O-N 3.43Å
601	S	97.8	Very high	96	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.007	10%	0.096	C	C	.	.			trans	-66.7	128.5	-174.5	-176.9	0	0	0	0	112	Y336 P597 F598 R603 Q604 N655	Y336-S601 WeakPolarHBondContact CE1-O 3.46Å; P597-S601 WeakPolarHBondContact O-CB 3.45Å; P597-S601 PolarHBondContact O-N 3.45Å; F598-S601 PolarHBondContact O-N 3Å; S601-R603 PolarHBondContact O-N 3.13Å; S601-R603 PolarHBondContact OG-N 2.83Å; S601-R603 PolarHBondContact OG-O 3.32Å; S601-Q604 WeakPolarHBondContact O-CG 3.39Å; S601-N655 WeakPolarHBondContact CB-OD1 3.38Å; S601-N655 PolarHBondContact OG-OD1 2.9Å
602	P	97.4	Very high	96.1	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.032	12%	0.116	C	C	.	.	S	Bend	trans	-78.7	3.4	170.7	35.5	-36.9	0	0	0	112.8	L317 R333 Y336 I337	L317-P602 HydrophobicContact CD2-CG 4.32Å; R333-P602 HydrophobicContact CB-CB 3.62Å; R333-P602 HydrophobicContact CB-CG 3.88Å; R333-P602 HydrophobicContact CG-CB 3.99Å; R333-P602 WeakPolarHBondContact O-CB 3.32Å; Y336-P602 HydrophobicContact CD1-CB 3.87Å; Y336-P602 HydrophobicContact CG-CB 4.16Å; I337-P602 HydrophobicContact CD1-CG 4.02Å; I337-P602 HydrophobicContact CG1-CB 4.47Å; I337-P602 HydrophobicContact CG1-CG 4.11Å
603	R	97.5	Very high	96.3	Very high	34 Å²	34	25.9 Å²	25.9	13%	0.128	14%	0.142	C	C	.	.			trans	-131.4	62.8	179.5	-72.5	-176.4	-178.2	-96.3	24.8	108.3	R333 S601 A652 Y654 N655	R333-R603 VanDerWaalsContact NH2-NH2 3.14Å; S601-R603 PolarHBondContact O-N 3.13Å; S601-R603 PolarHBondContact OG-N 2.83Å; S601-R603 PolarHBondContact OG-O 3.32Å; R603-A652 WeakPolarHBondContact CD-O 3.44Å; R603-A652 PolarHBondContact NE-O 3.27Å; R603-Y654 HydrophobicContact CB-CD1 3.55Å; R603-Y654 HydrophobicContact CB-CD2 4.4Å; R603-Y654 HydrophobicContact CB-CE1 3.68Å; R603-Y654 HydrophobicContact CB-CG 3.93Å; R603-Y654 HydrophobicContact CG-CD1 4.26Å; R603-Y654 HydrophobicContact CG-CE1 3.91Å; R603-Y654 HydrophobicContact CG-CE2 4.38Å; R603-Y654 PolarHBondContact NH1-OH 2.8Å; R603-Y654 VanDerWaalsContact O-CA 3.25Å; R603-Y654 WeakPolarHBondContact O-CA 3.5Å; R603-Y654 WeakPolarHBondContact O-CD1 3.41Å; R603-N655 PolarHBondContact O-N 3.1Å; R603-N655 VanDerWaalsContact O-N 3.07Å; R603-N655 PolarHBondContact O-OD1 3.49Å
604	Q	98.2	Very high	96.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.			trans	-69.4	-46.9	-173.3	-59.3	-174.4	-68.5	0	0	111.4	Y336 F598 S601 F630 E631 N655 Y656	Y336-Q604 VanDerWaalsContact OH-CD 3.3Å; Y336-Q604 PolarHBondContact OH-NE2 3.4Å; Y336-Q604 PolarHBondContact OH-OE1 3.12Å; F598-Q604 HydrophobicContact CD2-CB 4Å; F598-Q604 HydrophobicContact CD2-CG 4.4Å; F598-Q604 HydrophobicContact CE2-CB 3.55Å; F598-Q604 HydrophobicContact CE2-CG 4.2Å; F598-Q604 HydrophobicContact CZ-CB 4.05Å; F598-Q604 HydrophobicContact CZ-CG 4.43Å; F598-Q604 PolarHBondContact O-NE2 2.88Å; S601-Q604 WeakPolarHBondContact O-CG 3.39Å; Q604-F630 VanDerWaalsContact OE1-CA 3.22Å; Q604-E631 HydrophobicContact CB-CB 4.41Å; Q604-E631 WeakPolarHBondContact CB-O 3.14Å; Q604-E631 HydrophobicContact CG-CB 4.18Å; Q604-N655 WeakPolarHBondContact O-CB 3.35Å; Q604-Y656 PolarHBondContact O-N 3.39Å; Q604-Y656 VanDerWaalsContact O-N 3.12Å
605	A	98.4	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	154.6	178.1	0	0	0	0	0	112.9	E631 C632 D633 Y654 Y656 L658 F692	A605-E631 PolarHBondContact N-O 3.11Å; A605-C632 HydrophobicContact CB-CB 4.44Å; A605-C632 VanDerWaalsContact O-CA 3.31Å; A605-C632 WeakPolarHBondContact O-CA 3.49Å; A605-D633 PolarHBondContact O-N 3.39Å; A605-Y654 WeakPolarHBondContact O-CD1 3.07Å; A605-Y654 WeakPolarHBondContact O-CE1 3.09Å; A605-Y656 CarbonylContact C-O 3.59Å; A605-Y656 VanDerWaalsContact CA-O 3.26Å; A605-Y656 WeakPolarHBondContact CA-O 3.46Å; A605-L658 HydrophobicContact CB-CD1 3.97Å; A605-L658 HydrophobicContact CB-CG 4.3Å; A605-F692 HydrophobicContact CB-CE2 4.15Å; A605-F692 HydrophobicContact CB-CZ 4.27Å
606	I	98.6	Very high	97	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.062	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	134.5	167.4	-174.2	168.3	0	0	0	110.5	D633 D635 A649 Y654 Y656 I657 L658	I606-D633 CarbonylContact C-O 3.5Å; I606-D633 VanDerWaalsContact CA-O 3.29Å; I606-D633 WeakPolarHBondContact CA-O 3.24Å; I606-D633 HydrophobicContact CB-CB 4.42Å; I606-D633 HydrophobicContact CD1-CB 4.29Å; I606-D633 HydrophobicContact CG1-CB 4.07Å; I606-D635 HydrophobicContact CD1-CB 4.14Å; I606-A649 HydrophobicContact CD1-CB 4.49Å; I606-A649 HydrophobicContact CG2-CB 3.57Å; I606-Y654 HydrophobicContact CB-CD1 3.7Å; I606-Y654 HydrophobicContact CB-CD2 4.26Å; I606-Y654 HydrophobicContact CB-CE1 3.71Å; I606-Y654 HydrophobicContact CB-CE2 4.24Å; I606-Y654 HydrophobicContact CB-CG 3.99Å; I606-Y654 HydrophobicContact CD1-CD2 4.47Å; I606-Y654 HydrophobicContact CD1-CE1 4.49Å; I606-Y654 HydrophobicContact CD1-CE2 3.87Å; I606-Y654 HydrophobicContact CG2-CD1 3.87Å; I606-Y654 HydrophobicContact CG2-CD2 3.87Å; I606-Y654 HydrophobicContact CG2-CE1 4.3Å; I606-Y654 HydrophobicContact CG2-CE2 4.27Å; I606-Y654 HydrophobicContact CG2-CG 3.64Å; I606-Y656 PolarHBondContact N-O 3.35Å; I606-I657 HydrophobicContact CG2-CB 4.45Å; I606-I657 HydrophobicContact CG2-CG1 4.17Å; I606-I657 HydrophobicContact CG2-CG2 4.35Å; I606-L658 PolarHBondContact O-N 3.37Å
607	V	98.7	Very high	97.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	131.6	177	-166.9	0	0	0	0	110.2	A618 V621 K622 D633 V634 D635 L658 V660	V607-A618 HydrophobicContact CB-CB 4.45Å; V607-A618 HydrophobicContact CG1-CB 3.71Å; V607-V621 HydrophobicContact CG1-CB 4.44Å; V607-V621 HydrophobicContact CG1-CG1 4.35Å; V607-V621 HydrophobicContact CG2-CB 4.28Å; V607-V621 HydrophobicContact CG2-CG1 3.77Å; V607-K622 HydrophobicContact CG2-CB 4.1Å; V607-D633 PolarHBondContact N-O 3.42Å; V607-V634 HydrophobicContact CB-CB 4.41Å; V607-V634 HydrophobicContact CB-CG2 4.14Å; V607-V634 WeakPolarHBondContact O-CA 3.06Å; V607-D635 PolarHBondContact O-N 2.81Å; V607-L658 CarbonylContact C-O 3.6Å; V607-L658 WeakPolarHBondContact CA-O 3.34Å; V607-L658 HydrophobicContact CG2-CB 4.34Å; V607-L658 HydrophobicContact CG2-CD1 4.23Å; V607-V660 HydrophobicContact CG1-CG1 4.01Å; V607-V660 HydrophobicContact CG1-CG2 4.08Å
608	V	98	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	105.9	-179.4	-177.4	0	0	0	0	109.3	D635 F642 K645 I657 L658 V659 V660	V608-D635 HydrophobicContact CG2-CB 4.5Å; V608-F642 HydrophobicContact CG1-CD2 3.84Å; V608-F642 HydrophobicContact CG1-CE2 3.91Å; V608-K645 HydrophobicContact CG1-CB 3.69Å; V608-K645 HydrophobicContact CG1-CD 3.89Å; V608-K645 HydrophobicContact CG1-CG 4.45Å; V608-K645 HydrophobicContact CG2-CB 4.49Å; V608-I657 HydrophobicContact CG2-CG2 3.89Å; V608-L658 PolarHBondContact N-O 3.38Å; V608-V659 WeakPolarHBondContact O-CA 3.41Å; V608-V660 PolarHBondContact O-N 3.31Å; V608-V660 VanDerWaalsContact O-N 3.13Å
609	P	97.8	Very high	97.2	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.032	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	141.4	173.2	27.5	-30.6	0	0	0	111.5	H611 L614 D615 A618 D635 L636 V660	P609-H611 VanDerWaalsContact C-N 3.33Å; P609-L614 HydrophobicContact CB-CB 3.92Å; P609-D615 VanDerWaalsContact CG-OD1 3.28Å; P609-D615 WeakPolarHBondContact CG-OD1 3.36Å; P609-A618 HydrophobicContact CB-CB 4.14Å; P609-A618 HydrophobicContact CG-CB 4.05Å; P609-D635 WeakPolarHBondContact CD-O 3.46Å; P609-L636 HydrophobicContact CG-CD2 3.83Å; P609-V660 HydrophobicContact CB-CG2 3.95Å
610	V	96	Very high	97.3	Very high	53 Å²	53	33.2 Å²	33.2	32%	0.321	19%	0.189	S	C	.	.	S	Bend	trans	-69.8	-34.1	175.6	179.2	0	0	0	0	111.2	F642 V659 V660	V610-F642 HydrophobicContact CG2-CD2 4.38Å; V610-F642 HydrophobicContact CG2-CE2 4.17Å; V610-V659 HydrophobicContact CG2-CG1 3.67Å; V610-V660 WeakPolarHBondContact CG2-O 3.43Å; V610-V660 PolarHBondContact N-O 3.32Å
611	H	93.4	Very high	97.3	Very high	110 Å²	110	33.3 Å²	33.3	51%	0.509	19%	0.189	S	C	.	.	S	Bend	trans	-139.4	149.1	179.8	-65.3	-52.6	0	0	0	111.3	P609 V613 L614	P609-H611 VanDerWaalsContact C-N 3.33Å; H611-V613 PolarHBondContact O-N 2.93Å; H611-L614 WeakPolarHBondContact O-CB 3.27Å; H611-L614 PolarHBondContact O-N 3.45Å
612	P	93.9	Very high	97.4	Very high	84 Å²	84	35.2 Å²	35.2	55%	0.545	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-56.5	-24.6	179.9	-28	35.8	0	0	0	115.5	L614 D615	P612-L614 PolarHBondContact O-N 2.9Å; P612-L614 VanDerWaalsContact O-N 3.07Å; P612-D615 WeakPolarHBondContact CA-OD1 3.43Å; P612-D615 WeakPolarHBondContact O-CB 3.39Å; P612-D615 PolarHBondContact O-N 3.46Å; P612-D615 VanDerWaalsContact O-N 3.1Å
613	V	95.4	Very high	97.4	Very high	113 Å²	113	38.4 Å²	38.4	69%	0.685	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-61.6	-17.4	175.5	179.3	0	0	0	0	112.4	H611	H611-V613 PolarHBondContact O-N 2.93Å
614	L	96.4	Very high	97.5	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-98.7	0.4	-179.3	-58.2	167.8	0	0	0	113.1	P609 H611 P612 S616 Y617 A618 V660 G661 E662 K665	P609-L614 HydrophobicContact CB-CB 3.92Å; H611-L614 WeakPolarHBondContact O-CB 3.27Å; H611-L614 PolarHBondContact O-N 3.45Å; P612-L614 PolarHBondContact O-N 2.9Å; P612-L614 VanDerWaalsContact O-N 3.07Å; L614-S616 VanDerWaalsContact C-N 3.31Å; L614-S616 PolarHBondContact O-N 2.79Å; L614-Y617 WeakPolarHBondContact O-CA 3.42Å; L614-Y617 WeakPolarHBondContact O-CB 3.47Å; L614-Y617 PolarHBondContact O-N 3.27Å; L614-A618 PolarHBondContact O-N 2.83Å; L614-V660 VanDerWaalsContact CD1-O 3.26Å; L614-V660 WeakPolarHBondContact CD1-O 3.33Å; L614-G661 VanDerWaalsContact CD1-C 3.43Å; L614-G661 VanDerWaalsContact CD1-CA 3.44Å; L614-E662 HydrophobicContact CD2-CG 4.33Å; L614-K665 HydrophobicContact CD2-CB 4.04Å; L614-K665 HydrophobicContact CD2-CD 3.64Å; L614-K665 HydrophobicContact CD2-CG 4.49Å
615	D	97.5	Very high	97.5	Very high	40 Å²	40	42.3 Å²	42.3	21%	0.214	23%	0.232	C	C	.	.	H	α-helix	trans	-56.6	-43.8	-174.9	-69.5	-7.9	0	0	0	112	P609 P612 Y617 A618 E619 L636	P609-D615 VanDerWaalsContact CG-OD1 3.28Å; P609-D615 WeakPolarHBondContact CG-OD1 3.36Å; P612-D615 WeakPolarHBondContact CA-OD1 3.43Å; P612-D615 WeakPolarHBondContact O-CB 3.39Å; P612-D615 PolarHBondContact O-N 3.46Å; P612-D615 VanDerWaalsContact O-N 3.1Å; D615-Y617 VanDerWaalsContact C-N 3.27Å; D615-Y617 PolarHBondContact O-N 3.13Å; D615-A618 WeakPolarHBondContact O-CB 3.47Å; D615-A618 PolarHBondContact O-N 3.05Å; D615-A618 VanDerWaalsContact O-N 3.09Å; D615-E619 WeakPolarHBondContact O-CG 3.33Å; D615-E619 PolarHBondContact O-N 3.33Å; D615-L636 HydrophobicContact CB-CD1 4.38Å; D615-L636 HydrophobicContact CB-CD2 3.88Å
616	S	97.7	Very high	97.5	Very high	77 Å²	77	48.6 Å²	48.6	54%	0.538	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-32.5	176.5	56	0	0	0	0	113.5	L614 A620	L614-S616 VanDerWaalsContact C-N 3.31Å; L614-S616 PolarHBondContact O-N 2.79Å; S616-A620 WeakPolarHBondContact O-CB 3.09Å; S616-A620 PolarHBondContact O-N 2.89Å; S616-A620 VanDerWaalsContact O-N 3.13Å
617	Y	98.2	Very high	97.4	Very high	26 Å²	26	55.7 Å²	55.7	10%	0.102	29%	0.29	C	S	.	.	H	α-helix	trans	-74.3	-40.3	173.7	-179.1	-111.7	0	0	0	111	L614 D615 E619 A620 V621 V660 E664 K665 G668 T669	L614-Y617 WeakPolarHBondContact O-CA 3.42Å; L614-Y617 WeakPolarHBondContact O-CB 3.47Å; L614-Y617 PolarHBondContact O-N 3.27Å; D615-Y617 VanDerWaalsContact C-N 3.27Å; D615-Y617 PolarHBondContact O-N 3.13Å; Y617-E619 PolarHBondContact O-N 3.29Å; Y617-A620 PolarHBondContact O-N 3.42Å; Y617-V621 HydrophobicContact CD1-CG2 4.23Å; Y617-V621 HydrophobicContact CD2-CG2 4.41Å; Y617-V621 HydrophobicContact CE1-CG2 3.74Å; Y617-V621 HydrophobicContact CE2-CG2 3.94Å; Y617-V621 VanDerWaalsContact O-CG2 3.3Å; Y617-V621 WeakPolarHBondContact O-CG2 3.04Å; Y617-V621 PolarHBondContact O-N 3.19Å; Y617-V660 HydrophobicContact CD1-CB 3.84Å; Y617-V660 HydrophobicContact CD1-CG1 4Å; Y617-V660 HydrophobicContact CD1-CG2 4.16Å; Y617-V660 HydrophobicContact CE1-CB 3.91Å; Y617-V660 HydrophobicContact CE1-CG1 3.68Å; Y617-E664 HydrophobicContact CE1-CB 4.49Å; Y617-E664 PolarHBondContact OH-O 3.34Å; Y617-K665 HydrophobicContact CD1-CB 3.82Å; Y617-K665 HydrophobicContact CD1-CG 4.29Å; Y617-K665 HydrophobicContact CD2-CB 4.33Å; Y617-K665 HydrophobicContact CD2-CG 4.03Å; Y617-K665 HydrophobicContact CE1-CB 4.2Å; Y617-K665 HydrophobicContact CG-CB 3.91Å; Y617-K665 HydrophobicContact CG-CD 4.42Å; Y617-K665 HydrophobicContact CG-CG 3.85Å; Y617-G668 WeakPolarHBondContact OH-CA 3.43Å; Y617-T669 PolarHBondContact OH-N 2.95Å; Y617-T669 VanDerWaalsContact OH-N 3.1Å; Y617-T669 PolarHBondContact OH-O 3.02Å
618	A	98.4	Very high	97.4	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-44.2	176.3	0	0	0	0	0	112	V607 P609 L614 D615 V621 K622 V634 L636 V660	V607-A618 HydrophobicContact CB-CB 4.45Å; V607-A618 HydrophobicContact CG1-CB 3.71Å; P609-A618 HydrophobicContact CB-CB 4.14Å; P609-A618 HydrophobicContact CG-CB 4.05Å; L614-A618 PolarHBondContact O-N 2.83Å; D615-A618 WeakPolarHBondContact O-CB 3.47Å; D615-A618 PolarHBondContact O-N 3.05Å; D615-A618 VanDerWaalsContact O-N 3.09Å; A618-V621 PolarHBondContact O-N 2.92Å; A618-K622 WeakPolarHBondContact O-CB 3.19Å; A618-K622 PolarHBondContact O-N 3.48Å; A618-V634 HydrophobicContact CB-CG2 3.83Å; A618-L636 HydrophobicContact CB-CD2 4.2Å; A618-V660 HydrophobicContact CB-CG2 3.95Å
619	E	98.3	Very high	97.4	Very high	95 Å²	95	58.9 Å²	58.9	44%	0.444	32%	0.32	S	S	.	.	H	α-helix	trans	-60.7	-47.5	172.8	-71.2	-178.5	152.7	0	0	111.5	D615 Y617 V621 K622 D623 L636	D615-E619 WeakPolarHBondContact O-CG 3.33Å; D615-E619 PolarHBondContact O-N 3.33Å; Y617-E619 PolarHBondContact O-N 3.29Å; E619-V621 VanDerWaalsContact C-N 3.29Å; E619-V621 PolarHBondContact O-N 3.3Å; E619-K622 WeakPolarHBondContact O-CB 3.48Å; E619-K622 PolarHBondContact O-N 3Å; E619-K622 VanDerWaalsContact O-N 3.13Å; E619-D623 PolarHBondContact O-N 3.09Å; E619-L636 HydrophobicContact CG-CD1 3.77Å; E619-L636 VanDerWaalsContact OE1-CD1 3.3Å; E619-L636 WeakPolarHBondContact OE1-CD1 3.49Å
620	A	98.2	Very high	97.4	Very high	40 Å²	40	58.9 Å²	58.9	33%	0.331	32%	0.32	S	S	.	.	H	α-helix	trans	-61.6	-35	178.4	0	0	0	0	0	113.2	S616 Y617 K624	S616-A620 WeakPolarHBondContact O-CB 3.09Å; S616-A620 PolarHBondContact O-N 2.89Å; S616-A620 VanDerWaalsContact O-N 3.13Å; Y617-A620 PolarHBondContact O-N 3.42Å; A620-K624 VanDerWaalsContact O-CG 3.27Å; A620-K624 WeakPolarHBondContact O-CG 3.49Å; A620-K624 PolarHBondContact O-N 2.94Å; A620-K624 VanDerWaalsContact O-N 3.15Å
621	V	98.6	Very high	97.5	Very high	1 Å²	1	59 Å²	59	1%	0.006	32%	0.317	C	S	.	.	H	α-helix	trans	-67.2	-48.1	173.2	170.1	0	0	0	0	110.5	V607 Y617 A618 E619 D623 K624 I625 V670 V685	V607-V621 HydrophobicContact CG1-CB 4.44Å; V607-V621 HydrophobicContact CG1-CG1 4.35Å; V607-V621 HydrophobicContact CG2-CB 4.28Å; V607-V621 HydrophobicContact CG2-CG1 3.77Å; Y617-V621 HydrophobicContact CD1-CG2 4.23Å; Y617-V621 HydrophobicContact CD2-CG2 4.41Å; Y617-V621 HydrophobicContact CE1-CG2 3.74Å; Y617-V621 HydrophobicContact CE2-CG2 3.94Å; Y617-V621 VanDerWaalsContact O-CG2 3.3Å; Y617-V621 WeakPolarHBondContact O-CG2 3.04Å; Y617-V621 PolarHBondContact O-N 3.19Å; A618-V621 PolarHBondContact O-N 2.92Å; E619-V621 VanDerWaalsContact C-N 3.29Å; E619-V621 PolarHBondContact O-N 3.3Å; V621-D623 VanDerWaalsContact C-N 3.31Å; V621-D623 PolarHBondContact O-N 3.25Å; V621-K624 PolarHBondContact O-N 2.88Å; V621-I625 HydrophobicContact CG1-CD1 3.93Å; V621-I625 WeakPolarHBondContact O-CG1 3.39Å; V621-I625 PolarHBondContact O-N 3.25Å; V621-I625 VanDerWaalsContact O-N 3.08Å; V621-V670 HydrophobicContact CG1-CG1 3.71Å; V621-V670 HydrophobicContact CG2-CG1 4.17Å; V621-V685 HydrophobicContact CG1-CG2 4.28Å; V621-V685 HydrophobicContact CG2-CG2 3.97Å
622	K	98.5	Very high	97.7	Very high	42 Å²	42	54 Å²	54	18%	0.183	29%	0.294	C	S	.	.	H	α-helix	trans	-56.1	-47.3	178	-176.7	-106.6	94.7	-176.4	0	111	V607 A618 E619 I625 Y626 C632 V634	V607-K622 HydrophobicContact CG2-CB 4.1Å; A618-K622 WeakPolarHBondContact O-CB 3.19Å; A618-K622 PolarHBondContact O-N 3.48Å; E619-K622 WeakPolarHBondContact O-CB 3.48Å; E619-K622 PolarHBondContact O-N 3Å; E619-K622 VanDerWaalsContact O-N 3.13Å; K622-I625 PolarHBondContact O-N 3.23Å; K622-Y626 WeakPolarHBondContact O-CB 3.35Å; K622-Y626 PolarHBondContact O-N 3.46Å; K622-C632 WeakPolarHBondContact CD-O 3.32Å; K622-C632 HydrophobicContact CG-CB 4.27Å; K622-C632 WeakPolarHBondContact CG-O 3.37Å; K622-V634 HydrophobicContact CB-CB 4.23Å; K622-V634 HydrophobicContact CD-CG1 4.35Å; K622-V634 HydrophobicContact CG-CB 4.16Å; K622-V634 HydrophobicContact CG-CG1 4.32Å
623	D	98.4	Very high	97.9	Very high	72 Å²	72	52.8 Å²	52.8	39%	0.385	28%	0.283	S	S	.	.	H	α-helix	trans	-63.9	-45	-179.9	-71.6	-20.1	0	0	0	111.8	E619 V621 I625 Y626 E627	E619-D623 PolarHBondContact O-N 3.09Å; V621-D623 VanDerWaalsContact C-N 3.31Å; V621-D623 PolarHBondContact O-N 3.25Å; D623-I625 VanDerWaalsContact C-N 3.3Å; D623-I625 PolarHBondContact O-N 2.87Å; D623-Y626 PolarHBondContact O-N 3.21Å; D623-E627 WeakPolarHBondContact O-CB 3.36Å; D623-E627 VanDerWaalsContact O-CG 3.3Å; D623-E627 WeakPolarHBondContact O-CG 3.43Å; D623-E627 PolarHBondContact O-N 3.37Å
624	K	98.3	Very high	98	Very high	116 Å²	116	49.4 Å²	49.4	50%	0.504	26%	0.263	S	S	.	.	H	α-helix	trans	-58.3	-40.2	175.6	-77.5	175.1	-179.1	179.9	0	113.1	A620 V621 A628 V685	A620-K624 VanDerWaalsContact O-CG 3.27Å; A620-K624 WeakPolarHBondContact O-CG 3.49Å; A620-K624 PolarHBondContact O-N 2.94Å; A620-K624 VanDerWaalsContact O-N 3.15Å; V621-K624 PolarHBondContact O-N 2.88Å; K624-A628 WeakPolarHBondContact O-CB 3.38Å; K624-A628 PolarHBondContact O-N 3.31Å; K624-V685 HydrophobicContact CB-CG1 4.12Å; K624-V685 HydrophobicContact CD-CG1 4.22Å
625	I	98.5	Very high	98.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-72.1	-41	178.7	-65.9	172.3	0	0	0	110.4	V621 K622 D623 A628 F630 C632 L658 V685 L688 I689 F692	V621-I625 HydrophobicContact CG1-CD1 3.93Å; V621-I625 WeakPolarHBondContact O-CG1 3.39Å; V621-I625 PolarHBondContact O-N 3.25Å; V621-I625 VanDerWaalsContact O-N 3.08Å; K622-I625 PolarHBondContact O-N 3.23Å; D623-I625 VanDerWaalsContact C-N 3.3Å; D623-I625 PolarHBondContact O-N 2.87Å; I625-A628 WeakPolarHBondContact O-CB 3.48Å; I625-A628 PolarHBondContact O-N 2.88Å; I625-F630 HydrophobicContact CG2-CB 3.81Å; I625-F630 PolarHBondContact O-N 2.62Å; I625-C632 HydrophobicContact CB-CB 3.89Å; I625-C632 HydrophobicContact CG2-CB 3.58Å; I625-L658 HydrophobicContact CD1-CD1 3.37Å; I625-V685 HydrophobicContact CG1-CG1 4.33Å; I625-L688 HydrophobicContact CD1-CD2 4.47Å; I625-I689 HydrophobicContact CG1-CD1 4.41Å; I625-I689 HydrophobicContact CG1-CG1 4.21Å; I625-F692 HydrophobicContact CG2-CD2 4.38Å; I625-F692 HydrophobicContact CG2-CE2 4.24Å
626	Y	98.2	Very high	98.1	Very high	131 Å²	131	50.9 Å²	50.9	51%	0.514	27%	0.27	S	S	.	.	H	α-helix	trans	-63.6	-47	177.4	-174.2	-99.4	0	0	0	112.5	K622 D623 A628 G629 F630	K622-Y626 WeakPolarHBondContact O-CB 3.35Å; K622-Y626 PolarHBondContact O-N 3.46Å; D623-Y626 PolarHBondContact O-N 3.21Å; Y626-A628 PolarHBondContact O-N 2.76Å; Y626-G629 WeakPolarHBondContact O-CA 3.41Å; Y626-G629 PolarHBondContact O-N 3.18Å; Y626-F630 WeakPolarHBondContact CA-O 3.21Å
627	E	98	Very high	97.9	Very high	161 Å²	161	50.9 Å²	50.9	75%	0.752	26%	0.264	S	S	*	.	H	α-helix	trans	-60.5	-27.5	174.6	-73.2	177.3	176.5	0	0	112.6	D623 G629	D623-E627 WeakPolarHBondContact O-CB 3.36Å; D623-E627 VanDerWaalsContact O-CG 3.3Å; D623-E627 WeakPolarHBondContact O-CG 3.43Å; D623-E627 PolarHBondContact O-N 3.37Å; E627-G629 PolarHBondContact O-N 3.44Å
628	A	97.9	Very high	97.5	Very high	27 Å²	27	54.7 Å²	54.7	22%	0.223	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-3	173.7	0	0	0	0	0	114	K624 I625 Y626 F630 I689	K624-A628 WeakPolarHBondContact O-CB 3.38Å; K624-A628 PolarHBondContact O-N 3.31Å; I625-A628 WeakPolarHBondContact O-CB 3.48Å; I625-A628 PolarHBondContact O-N 2.88Å; Y626-A628 PolarHBondContact O-N 2.76Å; A628-F630 HydrophobicContact CB-CD2 4.04Å; A628-F630 HydrophobicContact CB-CE2 4.23Å; A628-I689 HydrophobicContact CB-CD1 4.02Å; A628-I689 HydrophobicContact CB-CG1 4.19Å; A628-I689 HydrophobicContact CB-CG2 3.69Å
629	G	96.7	Very high	97.3	Very high	41 Å²	41	59 Å²	59	42%	0.423	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	28.7	175.5	0	0	0	0	0	115	Y626 E627 K696	Y626-G629 WeakPolarHBondContact O-CA 3.41Å; Y626-G629 PolarHBondContact O-N 3.18Å; E627-G629 PolarHBondContact O-N 3.44Å; G629-K696 PolarHBondContact O-NZ 3.19Å
630	F	98	Very high	97.1	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.018	31%	0.309	C	S	.	.			trans	-122.3	145.8	178.3	-59.2	-74.2	0	0	0	112.2	F598 Q604 I625 Y626 A628 C632 I689 F692 R693 K696	F598-F630 AromaticContact CE1-CD1 3.92Å; F598-F630 HydrophobicContact CE1-CD1 3.92Å; F598-F630 AromaticContact CE1-CE1 3.88Å; F598-F630 HydrophobicContact CE1-CE1 3.88Å; F598-F630 AromaticContact CZ-CD1 3.83Å; F598-F630 HydrophobicContact CZ-CD1 3.83Å; F598-F630 HydrophobicContact CZ-CE1 4.17Å; Q604-F630 VanDerWaalsContact OE1-CA 3.22Å; I625-F630 HydrophobicContact CG2-CB 3.81Å; I625-F630 PolarHBondContact O-N 2.62Å; Y626-F630 WeakPolarHBondContact CA-O 3.21Å; A628-F630 HydrophobicContact CB-CD2 4.04Å; A628-F630 HydrophobicContact CB-CE2 4.23Å; F630-C632 PolarHBondContact O-N 2.86Å; F630-I689 HydrophobicContact CE2-CG2 4.27Å; F630-F692 HydrophobicContact CD1-CB 4.11Å; F630-F692 HydrophobicContact CD2-CB 4.19Å; F630-F692 HydrophobicContact CD2-CD2 4.32Å; F630-F692 HydrophobicContact CE1-CB 3.73Å; F630-F692 HydrophobicContact CE2-CB 3.81Å; F630-F692 HydrophobicContact CG-CB 4.34Å; F630-F692 HydrophobicContact CG-CD2 4.29Å; F630-F692 VanDerWaalsContact CZ-C 3.5Å; F630-F692 HydrophobicContact CZ-CB 3.58Å; F630-R693 HydrophobicContact CE2-CG 4Å; F630-R693 HydrophobicContact CZ-CB 4.33Å; F630-R693 HydrophobicContact CZ-CG 3.65Å; F630-K696 HydrophobicContact CD1-CD 4.39Å; F630-K696 HydrophobicContact CE1-CB 4.17Å; F630-K696 HydrophobicContact CE1-CD 3.77Å
631	E	97.9	Very high	96.9	Very high	57 Å²	57	58.1 Å²	58.1	27%	0.266	32%	0.321	S	S	.	.			trans	-73.6	111.7	176.5	-60.4	-57.9	127.7	0	0	110.1	Y336 Q604 A605	Y336-E631 HydrophobicContact CD2-CG 3.55Å; Y336-E631 WeakPolarHBondContact CD2-OE1 3.45Å; Y336-E631 HydrophobicContact CE1-CG 4.34Å; Y336-E631 HydrophobicContact CE2-CG 3.23Å; Y336-E631 VanDerWaalsContact CE2-OE1 3.25Å; Y336-E631 WeakPolarHBondContact CE2-OE1 3.4Å; Y336-E631 HydrophobicContact CG-CG 4.21Å; Q604-E631 HydrophobicContact CB-CB 4.41Å; Q604-E631 WeakPolarHBondContact CB-O 3.14Å; Q604-E631 HydrophobicContact CG-CB 4.18Å; A605-E631 PolarHBondContact N-O 3.11Å
632	C	98.3	Very high	96.6	Very high	4 Å²	4	60.4 Å²	60.4	3%	0.027	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	122.2	178.5	-165.9	0	0	0	0	110.5	A605 K622 I625 F630	A605-C632 HydrophobicContact CB-CB 4.44Å; A605-C632 VanDerWaalsContact O-CA 3.31Å; A605-C632 WeakPolarHBondContact O-CA 3.49Å; K622-C632 WeakPolarHBondContact CD-O 3.32Å; K622-C632 HydrophobicContact CG-CB 4.27Å; K622-C632 WeakPolarHBondContact CG-O 3.37Å; I625-C632 HydrophobicContact CB-CB 3.89Å; I625-C632 HydrophobicContact CG2-CB 3.58Å; F630-C632 PolarHBondContact O-N 2.86Å
633	D	98.1	Very high	96.4	Very high	59 Å²	59	64.3 Å²	64.3	32%	0.316	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	172.4	173.8	-67.6	-46.4	0	0	0	110.8	A605 I606 V607 Y654	A605-D633 PolarHBondContact O-N 3.39Å; I606-D633 CarbonylContact C-O 3.5Å; I606-D633 VanDerWaalsContact CA-O 3.29Å; I606-D633 WeakPolarHBondContact CA-O 3.24Å; I606-D633 HydrophobicContact CB-CB 4.42Å; I606-D633 HydrophobicContact CD1-CB 4.29Å; I606-D633 HydrophobicContact CG1-CB 4.07Å; V607-D633 PolarHBondContact N-O 3.42Å; D633-Y654 HydrophobicContact CB-CE1 4.1Å; D633-Y654 WeakPolarHBondContact CB-OH 3.43Å; D633-Y654 WeakPolarHBondContact OD2-CE1 3.22Å; D633-Y654 VanDerWaalsContact OD2-CZ 3.31Å; D633-Y654 PolarHBondContact OD2-OH 2.89Å
634	V	98.3	Very high	96.3	Very high	42 Å²	42	65.8 Å²	65.8	26%	0.255	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.2	174	62.1	0	0	0	0	109.8	V607 A618 K622 L636	V607-V634 HydrophobicContact CB-CB 4.41Å; V607-V634 HydrophobicContact CB-CG2 4.14Å; V607-V634 WeakPolarHBondContact O-CA 3.06Å; A618-V634 HydrophobicContact CB-CG2 3.83Å; K622-V634 HydrophobicContact CB-CB 4.23Å; K622-V634 HydrophobicContact CD-CG1 4.35Å; K622-V634 HydrophobicContact CG-CB 4.16Å; K622-V634 HydrophobicContact CG-CG1 4.32Å; V634-L636 HydrophobicContact CG1-CD1 4.48Å; V634-L636 HydrophobicContact CG1-CG 4.28Å; V634-L636 HydrophobicContact CG2-CD2 3.44Å; V634-L636 VanDerWaalsContact CG2-CD2 3.44Å; V634-L636 HydrophobicContact CG2-CG 3.81Å
635	D	97.9	Very high	96.2	Very high	25 Å²	25	60.9 Å²	60.9	13%	0.134	34%	0.335	C	S	.	.			trans	-108.7	96.4	176.2	-173.1	-21.9	0	0	0	111.1	I606 V607 V608 P609 D637 K645	I606-D635 HydrophobicContact CD1-CB 4.14Å; V607-D635 PolarHBondContact O-N 2.81Å; V608-D635 HydrophobicContact CG2-CB 4.5Å; P609-D635 WeakPolarHBondContact CD-O 3.46Å; D635-D637 WeakPolarHBondContact OD1-CB 3.36Å; D635-D637 PolarHBondContact OD1-N 3.42Å; D635-K645 HydrophobicContact CB-CD 4.24Å; D635-K645 PolarHBondContact O-NZ 2.86Å; D635-K645 VanDerWaalsContact OD1-CE 3.31Å; D635-K645 WeakPolarHBondContact OD1-CE 3.43Å; D635-K645 IonicContact OD1-NZ 2.79Å; D635-K645 WeakPolarHBondContact OD2-CB 3.45Å; D635-K645 WeakPolarHBondContact OD2-CG 3.3Å
636	L	96.8	Very high	96.1	Very high	49 Å²	49	61.2 Å²	61.2	26%	0.257	34%	0.338	S	S	.	.			trans	-99	10.7	178.2	-52.8	-177.5	0	0	0	113	P609 D615 A618 E619 V634 S638	P609-L636 HydrophobicContact CG-CD2 3.83Å; D615-L636 HydrophobicContact CB-CD1 4.38Å; D615-L636 HydrophobicContact CB-CD2 3.88Å; A618-L636 HydrophobicContact CB-CD2 4.2Å; E619-L636 HydrophobicContact CG-CD1 3.77Å; E619-L636 VanDerWaalsContact OE1-CD1 3.3Å; E619-L636 WeakPolarHBondContact OE1-CD1 3.49Å; V634-L636 HydrophobicContact CG1-CD1 4.48Å; V634-L636 HydrophobicContact CG1-CG 4.28Å; V634-L636 HydrophobicContact CG2-CD2 3.44Å; V634-L636 VanDerWaalsContact CG2-CD2 3.44Å; V634-L636 HydrophobicContact CG2-CG 3.81Å; L636-S638 PolarHBondContact O-N 2.9Å
637	D	94.2	Very high	96	Very high	77 Å²	77	62 Å²	62	41%	0.412	34%	0.34	S	S	.	.			trans	-67.1	110	-175.8	-170.9	-18.8	0	0	0	110.7	D635 S639 D640 K645	D635-D637 WeakPolarHBondContact OD1-CB 3.36Å; D635-D637 PolarHBondContact OD1-N 3.42Å; D637-S639 VanDerWaalsContact CG-OG 3.25Å; D637-S639 PolarHBondContact O-N 3.19Å; D637-S639 VanDerWaalsContact OD1-CB 3.29Å; D637-S639 WeakPolarHBondContact OD1-CB 3.49Å; D637-S639 PolarHBondContact OD1-N 2.88Å; D637-S639 PolarHBondContact OD1-OG 3.33Å; D637-S639 PolarHBondContact OD2-OG 2.85Å; D637-D640 PolarHBondContact O-N 3.27Å; D637-K645 WeakPolarHBondContact O-CE 3.41Å; D637-K645 PolarHBondContact O-NZ 2.85Å
638	S	90.9	Very high	95.9	Very high	106 Å²	106	57.5 Å²	57.5	74%	0.741	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-13.8	-178.5	61.1	0	0	0	0	113.9	L636 D640	L636-S638 PolarHBondContact O-N 2.9Å; S638-D640 VanDerWaalsContact C-N 3.32Å
639	S	93.1	Very high	95.9	Very high	91 Å²	91	56.3 Å²	56.3	64%	0.636	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-20.5	176.9	74.4	0	0	0	0	112.9	D637	D637-S639 VanDerWaalsContact CG-OG 3.25Å; D637-S639 PolarHBondContact O-N 3.19Å; D637-S639 VanDerWaalsContact OD1-CB 3.29Å; D637-S639 WeakPolarHBondContact OD1-CB 3.49Å; D637-S639 PolarHBondContact OD1-N 2.88Å; D637-S639 PolarHBondContact OD1-OG 3.33Å; D637-S639 PolarHBondContact OD2-OG 2.85Å
640	D	93.3	Very high	95.9	Very high	22 Å²	22	55.8 Å²	55.8	12%	0.118	30%	0.298	C	S	.	.	S	Bend	trans	-97.2	129.4	-179.1	-85.3	7.1	0	0	0	112.1	D637 S638 K644 K645 N648	D637-D640 PolarHBondContact O-N 3.27Å; S638-D640 VanDerWaalsContact C-N 3.32Å; D640-K644 HydrophobicContact CB-CB 4.39Å; D640-K644 HydrophobicContact CB-CD 4.18Å; D640-K644 HydrophobicContact CB-CG 4.38Å; D640-K644 VanDerWaalsContact CG-CD 3.46Å; D640-K644 VanDerWaalsContact CG-CE 3.48Å; D640-K644 VanDerWaalsContact OD1-CD 3.29Å; D640-K644 WeakPolarHBondContact OD1-CD 3.25Å; D640-K644 WeakPolarHBondContact OD1-CE 3.37Å; D640-K644 IonicContact OD1-NZ 3.51Å; D640-K644 PolarHBondContact OD1-NZ 2.9Å; D640-K644 WeakPolarHBondContact OD2-CD 3.48Å; D640-K644 WeakPolarHBondContact OD2-CE 3.28Å; D640-K644 IonicContact OD2-NZ 3Å; D640-K645 HydrophobicContact CB-CG 3.89Å; D640-K645 WeakPolarHBondContact O-CE 3.49Å; D640-N648 PolarHBondContact OD2-ND2 2.65Å
641	T	94.2	Very high	95.7	Very high	94 Å²	94	59.9 Å²	59.9	58%	0.577	32%	0.323	S	S	*	.			trans	-60.7	151	170.3	68.3	0	0	0	0	110.5	N643 K644 K645	T641-N643 VanDerWaalsContact C-N 3.26Å; T641-N643 PolarHBondContact O-N 3.2Å; T641-N643 VanDerWaalsContact O-N 3.16Å; T641-K644 WeakPolarHBondContact O-CA 3.46Å; T641-K644 WeakPolarHBondContact O-CB 3.34Å; T641-K644 PolarHBondContact O-N 3.03Å; T641-K644 WeakPolarHBondContact OG1-CB 3.39Å; T641-K644 PolarHBondContact OG1-N 2.91Å; T641-K645 PolarHBondContact O-N 2.99Å
642	F	93.6	Very high	95.6	Very high	49 Å²	49	58.4 Å²	58.4	22%	0.215	32%	0.32	C	S	.	.	H	α-helix	trans	-46.9	-47.4	175.1	169.8	-101.3	0	0	0	113.2	V608 V610 K644 K645 V646 V659	V608-F642 HydrophobicContact CG1-CD2 3.84Å; V608-F642 HydrophobicContact CG1-CE2 3.91Å; V610-F642 HydrophobicContact CG2-CD2 4.38Å; V610-F642 HydrophobicContact CG2-CE2 4.17Å; F642-K644 VanDerWaalsContact C-N 3.28Å; F642-K644 PolarHBondContact O-N 3.06Å; F642-K645 WeakPolarHBondContact O-CB 3.29Å; F642-K645 PolarHBondContact O-N 3.02Å; F642-V646 HydrophobicContact CD2-CG2 4.42Å; F642-V646 HydrophobicContact CE1-CG2 4.05Å; F642-V646 HydrophobicContact CE2-CG2 3.88Å; F642-V646 HydrophobicContact CZ-CG2 3.68Å; F642-V646 WeakPolarHBondContact O-CG2 3.32Å; F642-V646 PolarHBondContact O-N 3.24Å; F642-V659 HydrophobicContact CE2-CB 4.39Å; F642-V659 HydrophobicContact CE2-CG1 3.62Å; F642-V659 HydrophobicContact CE2-CG2 3.89Å; F642-V659 HydrophobicContact CZ-CB 4.44Å; F642-V659 HydrophobicContact CZ-CG1 3.74Å; F642-V659 HydrophobicContact CZ-CG2 3.79Å
643	N	94.5	Very high	95.4	Very high	124 Å²	124	60.4 Å²	60.4	66%	0.663	33%	0.329	S	S	*	.	H	α-helix	trans	-63	-34.4	178.7	-71	-26	0	0	0	112.6	T641 R647	T641-N643 VanDerWaalsContact C-N 3.26Å; T641-N643 PolarHBondContact O-N 3.2Å; T641-N643 VanDerWaalsContact O-N 3.16Å; N643-R647 WeakPolarHBondContact O-CB 3.1Å; N643-R647 PolarHBondContact O-N 3.42Å
644	K	95.9	Very high	95.4	Very high	102 Å²	102	58 Å²	58	44%	0.443	32%	0.316	S	S	.	.	H	α-helix	trans	-69.1	-42.7	175.7	-173.5	175.7	170.1	-160.5	0	111.1	D640 T641 F642 V646 R647 N648	D640-K644 HydrophobicContact CB-CB 4.39Å; D640-K644 HydrophobicContact CB-CD 4.18Å; D640-K644 HydrophobicContact CB-CG 4.38Å; D640-K644 VanDerWaalsContact CG-CD 3.46Å; D640-K644 VanDerWaalsContact CG-CE 3.48Å; D640-K644 VanDerWaalsContact OD1-CD 3.29Å; D640-K644 WeakPolarHBondContact OD1-CD 3.25Å; D640-K644 WeakPolarHBondContact OD1-CE 3.37Å; D640-K644 IonicContact OD1-NZ 3.51Å; D640-K644 PolarHBondContact OD1-NZ 2.9Å; D640-K644 WeakPolarHBondContact OD2-CD 3.48Å; D640-K644 WeakPolarHBondContact OD2-CE 3.28Å; D640-K644 IonicContact OD2-NZ 3Å; T641-K644 WeakPolarHBondContact O-CA 3.46Å; T641-K644 WeakPolarHBondContact O-CB 3.34Å; T641-K644 PolarHBondContact O-N 3.03Å; T641-K644 WeakPolarHBondContact OG1-CB 3.39Å; T641-K644 PolarHBondContact OG1-N 2.91Å; F642-K644 VanDerWaalsContact C-N 3.28Å; F642-K644 PolarHBondContact O-N 3.06Å; K644-V646 PolarHBondContact O-N 3.32Å; K644-R647 CarbonylContact O-C 3.55Å; K644-R647 WeakPolarHBondContact O-CB 3.44Å; K644-R647 PolarHBondContact O-N 3.09Å; K644-R647 VanDerWaalsContact O-N 3.15Å; K644-N648 WeakPolarHBondContact O-CB 3.5Å; K644-N648 PolarHBondContact O-N 2.98Å; K644-N648 PolarHBondContact O-ND2 3.05Å; K644-N648 PolarHBondContact O-OD1 2.95Å
645	K	96.8	Very high	95.4	Very high	13 Å²	13	56 Å²	56	6%	0.057	30%	0.304	C	S	.	.	H	α-helix	trans	-58.1	-48.8	174.1	-61.6	-173.5	172.8	-167.3	0	112.3	V608 D635 D637 D640 T641 F642 R647 N648 A649	V608-K645 HydrophobicContact CG1-CB 3.69Å; V608-K645 HydrophobicContact CG1-CD 3.89Å; V608-K645 HydrophobicContact CG1-CG 4.45Å; V608-K645 HydrophobicContact CG2-CB 4.49Å; D635-K645 HydrophobicContact CB-CD 4.24Å; D635-K645 PolarHBondContact O-NZ 2.86Å; D635-K645 VanDerWaalsContact OD1-CE 3.31Å; D635-K645 WeakPolarHBondContact OD1-CE 3.43Å; D635-K645 IonicContact OD1-NZ 2.79Å; D635-K645 WeakPolarHBondContact OD2-CB 3.45Å; D635-K645 WeakPolarHBondContact OD2-CG 3.3Å; D637-K645 WeakPolarHBondContact O-CE 3.41Å; D637-K645 PolarHBondContact O-NZ 2.85Å; D640-K645 HydrophobicContact CB-CG 3.89Å; D640-K645 WeakPolarHBondContact O-CE 3.49Å; T641-K645 PolarHBondContact O-N 2.99Å; F642-K645 WeakPolarHBondContact O-CB 3.29Å; F642-K645 PolarHBondContact O-N 3.02Å; K645-R647 VanDerWaalsContact C-N 3.31Å; K645-R647 PolarHBondContact O-N 3.15Å; K645-N648 PolarHBondContact O-N 3.05Å; K645-A649 PolarHBondContact O-N 3.33Å
646	V	96.1	Very high	95.4	Very high	8 Å²	8	54.9 Å²	54.9	5%	0.048	30%	0.297	C	S	.	.	H	α-helix	trans	-57.3	-47.5	174.4	174.4	0	0	0	0	110	F642 K644 N648 A649 Q650 I657	F642-V646 HydrophobicContact CD2-CG2 4.42Å; F642-V646 HydrophobicContact CE1-CG2 4.05Å; F642-V646 HydrophobicContact CE2-CG2 3.88Å; F642-V646 HydrophobicContact CZ-CG2 3.68Å; F642-V646 WeakPolarHBondContact O-CG2 3.32Å; F642-V646 PolarHBondContact O-N 3.24Å; K644-V646 PolarHBondContact O-N 3.32Å; V646-N648 PolarHBondContact O-N 2.95Å; V646-A649 WeakPolarHBondContact O-CB 3.38Å; V646-A649 PolarHBondContact O-N 3.05Å; V646-Q650 WeakPolarHBondContact O-CG 3.18Å; V646-Q650 PolarHBondContact O-N 2.91Å; V646-I657 HydrophobicContact CG1-CD1 4.14Å; V646-I657 HydrophobicContact CG2-CG2 4.43Å
647	R	96.2	Very high	95.5	Very high	148 Å²	148	52.5 Å²	52.5	56%	0.558	29%	0.285	S	S	*	.	H	α-helix	trans	-61.2	-42.9	178.4	-178.6	59.2	176.7	176.1	1.3	112.8	N643 K644 K645 A649 Q650 V651	N643-R647 WeakPolarHBondContact O-CB 3.1Å; N643-R647 PolarHBondContact O-N 3.42Å; K644-R647 CarbonylContact O-C 3.55Å; K644-R647 WeakPolarHBondContact O-CB 3.44Å; K644-R647 PolarHBondContact O-N 3.09Å; K644-R647 VanDerWaalsContact O-N 3.15Å; K645-R647 VanDerWaalsContact C-N 3.31Å; K645-R647 PolarHBondContact O-N 3.15Å; R647-A649 VanDerWaalsContact C-N 3.32Å; R647-A649 PolarHBondContact O-N 3.07Å; R647-Q650 WeakPolarHBondContact O-CB 3.43Å; R647-Q650 PolarHBondContact O-N 3.22Å; R647-V651 WeakPolarHBondContact O-CG2 3.4Å; R647-V651 PolarHBondContact O-N 3.29Å
648	N	96.2	Very high	95.7	Very high	65 Å²	65	48.9 Å²	48.9	35%	0.348	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-44.5	177.4	-67.3	-15.4	0	0	0	110.5	D640 K644 K645 V646 Q650 V651 A652	D640-N648 PolarHBondContact OD2-ND2 2.65Å; K644-N648 WeakPolarHBondContact O-CB 3.5Å; K644-N648 PolarHBondContact O-N 2.98Å; K644-N648 PolarHBondContact O-ND2 3.05Å; K644-N648 PolarHBondContact O-OD1 2.95Å; K645-N648 PolarHBondContact O-N 3.05Å; V646-N648 PolarHBondContact O-N 2.95Å; N648-Q650 PolarHBondContact O-N 3.46Å; N648-V651 PolarHBondContact O-N 2.91Å; N648-A652 VanDerWaalsContact O-CB 3.26Å; N648-A652 WeakPolarHBondContact O-CB 3.48Å; N648-A652 PolarHBondContact O-N 3.2Å
649	A	96.9	Very high	96	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-62.1	-40.6	175.8	0	0	0	0	0	112.8	I606 K645 V646 R647 A652 Q653 Y654 I657	I606-A649 HydrophobicContact CD1-CB 4.49Å; I606-A649 HydrophobicContact CG2-CB 3.57Å; K645-A649 PolarHBondContact O-N 3.33Å; V646-A649 WeakPolarHBondContact O-CB 3.38Å; V646-A649 PolarHBondContact O-N 3.05Å; R647-A649 VanDerWaalsContact C-N 3.32Å; R647-A649 PolarHBondContact O-N 3.07Å; A649-A652 PolarHBondContact O-N 2.96Å; A649-Q653 PolarHBondContact O-N 3.13Å; A649-Y654 HydrophobicContact CB-CD2 4.06Å; A649-Y654 WeakPolarHBondContact O-CD2 3.3Å; A649-Y654 PolarHBondContact O-N 3.37Å; A649-I657 HydrophobicContact CB-CD1 3.71Å; A649-I657 HydrophobicContact CB-CG1 3.8Å; A649-I657 HydrophobicContact CB-CG2 4.48Å
650	Q	96	Very high	96.2	Very high	31 Å²	31	39.9 Å²	39.9	15%	0.145	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-45.2	174.1	-65.7	-175.5	-79.1	0	0	111.9	V646 R647 N648 A652 Q653 I657 R675	V646-Q650 WeakPolarHBondContact O-CG 3.18Å; V646-Q650 PolarHBondContact O-N 2.91Å; R647-Q650 WeakPolarHBondContact O-CB 3.43Å; R647-Q650 PolarHBondContact O-N 3.22Å; N648-Q650 PolarHBondContact O-N 3.46Å; Q650-A652 VanDerWaalsContact C-N 3.32Å; Q650-A652 PolarHBondContact O-N 2.68Å; Q650-Q653 PolarHBondContact O-N 3.37Å; Q650-Q653 PolarHBondContact O-NE2 2.91Å; Q650-I657 HydrophobicContact CG-CD1 3.63Å; Q650-R675 WeakPolarHBondContact CB-O 3.42Å; Q650-R675 WeakPolarHBondContact CG-O 3.25Å; Q650-R675 PolarHBondContact NE2-O 3.01Å
651	V	94.3	Very high	96.4	Very high	90 Å²	90	39.2 Å²	39.2	55%	0.545	20%	0.201	S	C	.	.	H	α-helix	trans	-62.9	-42.1	178.4	170.5	0	0	0	0	110.5	R647 N648 Q653	R647-V651 WeakPolarHBondContact O-CG2 3.4Å; R647-V651 PolarHBondContact O-N 3.29Å; N648-V651 PolarHBondContact O-N 2.91Å; V651-Q653 PolarHBondContact O-N 3.19Å; V651-Q653 VanDerWaalsContact O-N 3.15Å; V651-Q653 PolarHBondContact O-NE2 3.07Å
652	A	94.9	Very high	96.5	Very high	26 Å²	26	41 Å²	41	22%	0.215	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-3.5	174.8	0	0	0	0	0	114.1	R603 N648 A649 Q650 Y654	R603-A652 WeakPolarHBondContact CD-O 3.44Å; R603-A652 PolarHBondContact NE-O 3.27Å; N648-A652 VanDerWaalsContact O-CB 3.26Å; N648-A652 WeakPolarHBondContact O-CB 3.48Å; N648-A652 PolarHBondContact O-N 3.2Å; A649-A652 PolarHBondContact O-N 2.96Å; Q650-A652 VanDerWaalsContact C-N 3.32Å; Q650-A652 PolarHBondContact O-N 2.68Å; A652-Y654 HydrophobicContact CB-CD2 3.91Å; A652-Y654 HydrophobicContact CB-CE2 3.83Å
653	Q	95.3	Very high	96.7	Very high	45 Å²	45	44.3 Å²	44.3	21%	0.21	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	33.4	174.9	-57.2	-55.4	-53.6	0	0	114.8	A649 Q650 V651 N655 R675	A649-Q653 PolarHBondContact O-N 3.13Å; Q650-Q653 PolarHBondContact O-N 3.37Å; Q650-Q653 PolarHBondContact O-NE2 2.91Å; V651-Q653 PolarHBondContact O-N 3.19Å; V651-Q653 VanDerWaalsContact O-N 3.15Å; V651-Q653 PolarHBondContact O-NE2 3.07Å; Q653-N655 PolarHBondContact O-N 3.12Å; Q653-R675 PolarHBondContact O-NH1 3.23Å; Q653-R675 VanDerWaalsContact O-NH1 3.07Å; Q653-R675 VanDerWaalsContact OE1-CD 3.3Å
654	Y	97.8	Very high	96.8	Very high	10 Å²	10	39.6 Å²	39.6	4%	0.039	19%	0.191	C	C	.	.			trans	-62.6	133.8	169.8	-77	-91	0	0	0	111.1	R603 A605 I606 D633 A649 A652 Y656 R675	R603-Y654 HydrophobicContact CB-CD1 3.55Å; R603-Y654 HydrophobicContact CB-CD2 4.4Å; R603-Y654 HydrophobicContact CB-CE1 3.68Å; R603-Y654 HydrophobicContact CB-CG 3.93Å; R603-Y654 HydrophobicContact CG-CD1 4.26Å; R603-Y654 HydrophobicContact CG-CE1 3.91Å; R603-Y654 HydrophobicContact CG-CE2 4.38Å; R603-Y654 PolarHBondContact NH1-OH 2.8Å; R603-Y654 VanDerWaalsContact O-CA 3.25Å; R603-Y654 WeakPolarHBondContact O-CA 3.5Å; R603-Y654 WeakPolarHBondContact O-CD1 3.41Å; A605-Y654 WeakPolarHBondContact O-CD1 3.07Å; A605-Y654 WeakPolarHBondContact O-CE1 3.09Å; I606-Y654 HydrophobicContact CB-CD1 3.7Å; I606-Y654 HydrophobicContact CB-CD2 4.26Å; I606-Y654 HydrophobicContact CB-CE1 3.71Å; I606-Y654 HydrophobicContact CB-CE2 4.24Å; I606-Y654 HydrophobicContact CB-CG 3.99Å; I606-Y654 HydrophobicContact CD1-CD2 4.47Å; I606-Y654 HydrophobicContact CD1-CE1 4.49Å; I606-Y654 HydrophobicContact CD1-CE2 3.87Å; I606-Y654 HydrophobicContact CG2-CD1 3.87Å; I606-Y654 HydrophobicContact CG2-CD2 3.87Å; I606-Y654 HydrophobicContact CG2-CE1 4.3Å; I606-Y654 HydrophobicContact CG2-CE2 4.27Å; I606-Y654 HydrophobicContact CG2-CG 3.64Å; D633-Y654 HydrophobicContact CB-CE1 4.1Å; D633-Y654 WeakPolarHBondContact CB-OH 3.43Å; D633-Y654 WeakPolarHBondContact OD2-CE1 3.22Å; D633-Y654 VanDerWaalsContact OD2-CZ 3.31Å; D633-Y654 PolarHBondContact OD2-OH 2.89Å; A649-Y654 HydrophobicContact CB-CD2 4.06Å; A649-Y654 WeakPolarHBondContact O-CD2 3.3Å; A649-Y654 PolarHBondContact O-N 3.37Å; A652-Y654 HydrophobicContact CB-CD2 3.91Å; A652-Y654 HydrophobicContact CB-CE2 3.83Å; Y654-Y656 VanDerWaalsContact C-N 3.34Å; Y654-Y656 PolarHBondContact O-N 3.39Å; Y654-R675 WeakPolarHBondContact O-CB 3.48Å
655	N	98	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-60.6	-46.6	177.1	-63.2	77.1	0	0	0	111.1	W596 F598 S601 R603 Q604 Q653 T674 R675 E704	W596-N655 PolarHBondContact O-ND2 3.3Å; F598-N655 WeakPolarHBondContact CA-ND2 3.46Å; F598-N655 HydrophobicContact CD2-CB 4.11Å; F598-N655 PolarHBondContact N-ND2 3.47Å; S601-N655 WeakPolarHBondContact CB-OD1 3.38Å; S601-N655 PolarHBondContact OG-OD1 2.9Å; R603-N655 PolarHBondContact O-N 3.1Å; R603-N655 VanDerWaalsContact O-N 3.07Å; R603-N655 PolarHBondContact O-OD1 3.49Å; Q604-N655 WeakPolarHBondContact O-CB 3.35Å; Q653-N655 PolarHBondContact O-N 3.12Å; N655-T674 WeakPolarHBondContact O-CA 3.4Å; N655-R675 PolarHBondContact ND2-NH2 2.95Å; N655-R675 PolarHBondContact O-N 2.94Å; N655-E704 WeakPolarHBondContact CA-OE1 3.49Å
656	Y	98.3	Very high	96.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	134.2	-178.1	-57.3	-66.5	0	0	0	112.9	F598 Q604 A605 I606 Y654 V672 R673 T674 F692 L695 S703 E704 L707	F598-Y656 AromaticContact CD2-CD2 3.73Å; F598-Y656 HydrophobicContact CD2-CD2 3.73Å; F598-Y656 AromaticContact CD2-CE2 3.39Å; F598-Y656 HydrophobicContact CD2-CE2 3.39Å; F598-Y656 AromaticContact CE2-CD2 3.77Å; F598-Y656 HydrophobicContact CE2-CD2 3.77Å; F598-Y656 AromaticContact CE2-CE2 3.74Å; F598-Y656 HydrophobicContact CE2-CE2 3.74Å; F598-Y656 HydrophobicContact CG-CE2 4.2Å; Q604-Y656 PolarHBondContact O-N 3.39Å; Q604-Y656 VanDerWaalsContact O-N 3.12Å; A605-Y656 CarbonylContact C-O 3.59Å; A605-Y656 VanDerWaalsContact CA-O 3.26Å; A605-Y656 WeakPolarHBondContact CA-O 3.46Å; I606-Y656 PolarHBondContact N-O 3.35Å; Y654-Y656 VanDerWaalsContact C-N 3.34Å; Y654-Y656 PolarHBondContact O-N 3.39Å; Y656-V672 HydrophobicContact CD1-CG1 3.72Å; Y656-V672 HydrophobicContact CG-CG1 4.23Å; Y656-R673 CarbonylContact C-O 3.54Å; Y656-R673 VanDerWaalsContact CA-O 3.31Å; Y656-R673 WeakPolarHBondContact CA-O 3.45Å; Y656-T674 HydrophobicContact CE1-CG2 4.47Å; Y656-F692 HydrophobicContact CD2-CD1 4.35Å; Y656-F692 AromaticContact CD2-CE1 3.34Å; Y656-F692 HydrophobicContact CD2-CE1 3.34Å; Y656-F692 AromaticContact CD2-CZ 3.64Å; Y656-F692 HydrophobicContact CD2-CZ 3.64Å; Y656-F692 HydrophobicContact CE2-CD1 4.18Å; Y656-F692 AromaticContact CE2-CE1 3.52Å; Y656-F692 HydrophobicContact CE2-CE1 3.52Å; Y656-F692 HydrophobicContact CE2-CZ 4.28Å; Y656-F692 HydrophobicContact CG-CE1 4.12Å; Y656-F692 HydrophobicContact CG-CZ 4.24Å; Y656-L695 HydrophobicContact CE2-CD1 4.03Å; Y656-L695 VanDerWaalsContact OH-CD1 3.27Å; Y656-L695 WeakPolarHBondContact OH-CD1 3.48Å; Y656-S703 PolarHBondContact OH-O 3.14Å; Y656-E704 HydrophobicContact CE1-CG 4.11Å; Y656-L707 HydrophobicContact CD1-CD2 4.23Å; Y656-L707 HydrophobicContact CE1-CB 4.16Å; Y656-L707 HydrophobicContact CE1-CD1 4.24Å; Y656-L707 HydrophobicContact CE1-CD2 3.82Å; Y656-L707 HydrophobicContact CE1-CG 4.3Å; Y656-L707 HydrophobicContact CE2-CD1 4.23Å
657	I	98.3	Very high	96.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	115	172.9	-53.5	170.8	0	0	0	106.6	I606 V608 V646 A649 Q650 V659 R673	I606-I657 HydrophobicContact CG2-CB 4.45Å; I606-I657 HydrophobicContact CG2-CG1 4.17Å; I606-I657 HydrophobicContact CG2-CG2 4.35Å; V608-I657 HydrophobicContact CG2-CG2 3.89Å; V646-I657 HydrophobicContact CG1-CD1 4.14Å; V646-I657 HydrophobicContact CG2-CG2 4.43Å; A649-I657 HydrophobicContact CB-CD1 3.71Å; A649-I657 HydrophobicContact CB-CG1 3.8Å; A649-I657 HydrophobicContact CB-CG2 4.48Å; Q650-I657 HydrophobicContact CG-CD1 3.63Å; I657-V659 HydrophobicContact CG2-CG2 4.49Å; I657-R673 HydrophobicContact CB-CB 4.37Å; I657-R673 PolarHBondContact N-O 3.34Å; I657-R673 PolarHBondContact O-N 3.14Å
658	L	98.4	Very high	96.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	101.3	-173.5	-49.8	-175.9	0	0	0	108.7	A605 I606 V607 V608 I625 V670 V672 L688	A605-L658 HydrophobicContact CB-CD1 3.97Å; A605-L658 HydrophobicContact CB-CG 4.3Å; I606-L658 PolarHBondContact O-N 3.37Å; V607-L658 CarbonylContact C-O 3.6Å; V607-L658 WeakPolarHBondContact CA-O 3.34Å; V607-L658 HydrophobicContact CG2-CB 4.34Å; V607-L658 HydrophobicContact CG2-CD1 4.23Å; V608-L658 PolarHBondContact N-O 3.38Å; I625-L658 HydrophobicContact CD1-CD1 3.37Å; L658-V670 HydrophobicContact CB-CB 4.24Å; L658-V670 HydrophobicContact CB-CG1 4.45Å; L658-V670 HydrophobicContact CB-CG2 4.5Å; L658-V670 HydrophobicContact CD2-CG2 4.27Å; L658-V672 HydrophobicContact CD2-CB 4.35Å; L658-V672 HydrophobicContact CD2-CG1 4.13Å; L658-V672 HydrophobicContact CD2-CG2 3.82Å; L658-L688 HydrophobicContact CD1-CD2 3.83Å; L658-L688 HydrophobicContact CD2-CD2 3.65Å; L658-L688 HydrophobicContact CG-CD2 4.42Å
659	V	97.9	Very high	96.9	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.048	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.1	-179.6	176.9	0	0	0	0	109.6	V608 V610 F642 I657 N671	V608-V659 WeakPolarHBondContact O-CA 3.41Å; V610-V659 HydrophobicContact CG2-CG1 3.67Å; F642-V659 HydrophobicContact CE2-CB 4.39Å; F642-V659 HydrophobicContact CE2-CG1 3.62Å; F642-V659 HydrophobicContact CE2-CG2 3.89Å; F642-V659 HydrophobicContact CZ-CB 4.44Å; F642-V659 HydrophobicContact CZ-CG1 3.74Å; F642-V659 HydrophobicContact CZ-CG2 3.79Å; I657-V659 HydrophobicContact CG2-CG2 4.49Å; V659-N671 HydrophobicContact CB-CB 4.28Å; V659-N671 PolarHBondContact N-O 2.82Å; V659-N671 PolarHBondContact O-N 3.14Å
660	V	98	Very high	97	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119.9	177.1	-62.3	0	0	0	0	111.4	V607 V608 P609 V610 L614 Y617 A618 E664 V670	V607-V660 HydrophobicContact CG1-CG1 4.01Å; V607-V660 HydrophobicContact CG1-CG2 4.08Å; V608-V660 PolarHBondContact O-N 3.31Å; V608-V660 VanDerWaalsContact O-N 3.13Å; P609-V660 HydrophobicContact CB-CG2 3.95Å; V610-V660 WeakPolarHBondContact CG2-O 3.43Å; V610-V660 PolarHBondContact N-O 3.32Å; L614-V660 VanDerWaalsContact CD1-O 3.26Å; L614-V660 WeakPolarHBondContact CD1-O 3.33Å; Y617-V660 HydrophobicContact CD1-CB 3.84Å; Y617-V660 HydrophobicContact CD1-CG1 4Å; Y617-V660 HydrophobicContact CD1-CG2 4.16Å; Y617-V660 HydrophobicContact CE1-CB 3.91Å; Y617-V660 HydrophobicContact CE1-CG1 3.68Å; A618-V660 HydrophobicContact CB-CG2 3.95Å; V660-E664 HydrophobicContact CB-CB 4.44Å; V660-V670 HydrophobicContact CG1-CB 4.38Å; V660-V670 HydrophobicContact CG1-CG1 3.78Å
661	G	97	Very high	97.1	Very high	9 Å²	9	41.7 Å²	41.7	9%	0.093	22%	0.217	C	C	.	.			trans	-107	-172.6	169.8	0	0	0	0	0	112.2	L614 E664 K665	L614-G661 VanDerWaalsContact CD1-C 3.43Å; L614-G661 VanDerWaalsContact CD1-CA 3.44Å; G661-E664 WeakPolarHBondContact CA-OE2 3.49Å; G661-E664 PolarHBondContact N-OE2 3.37Å; G661-E664 PolarHBondContact O-N 3.25Å; G661-K665 PolarHBondContact O-N 2.76Å
662	E	96.9	Very high	97.2	Very high	131 Å²	131	37.4 Å²	37.4	61%	0.612	19%	0.191	S	C	*	.	H	α-helix	trans	-62.3	-43.8	175.5	-68	-179.6	168.6	0	0	111.7	L614 E664 K665 E666	L614-E662 HydrophobicContact CD2-CG 4.33Å; E662-E664 VanDerWaalsContact C-N 3.32Å; E662-E664 PolarHBondContact O-N 2.89Å; E662-K665 WeakPolarHBondContact O-CB 3.4Å; E662-K665 PolarHBondContact O-N 3.08Å; E662-E666 WeakPolarHBondContact O-CG 3.19Å; E662-E666 PolarHBondContact O-N 3.2Å
663	K	96.5	Very high	97.3	Very high	119 Å²	119	39 Å²	39	52%	0.517	19%	0.192	S	C	.	.	H	α-helix	trans	-57.2	-45.5	176.1	-172.5	-166.1	179.3	-151.2	0	111.6	E666 N667 E682	K663-E666 PolarHBondContact O-N 3.22Å; K663-N667 WeakPolarHBondContact O-CB 3.29Å; K663-N667 PolarHBondContact O-N 3.39Å; K663-N667 PolarHBondContact O-ND2 3.35Å; K663-E682 WeakPolarHBondContact CE-OE2 3.3Å; K663-E682 IonicContact NZ-OE2 2.69Å; K663-E682 PolarHBondContact NZ-OE2 3.32Å
664	E	97.7	Very high	97.3	Very high	24 Å²	24	37.1 Å²	37.1	11%	0.112	18%	0.183	C	C	.	.	H	α-helix	trans	-64.7	-40.5	179	-76.3	73.2	-147	0	0	112.2	Y617 V660 G661 E662 N667 G668 T669	Y617-E664 HydrophobicContact CE1-CB 4.49Å; Y617-E664 PolarHBondContact OH-O 3.34Å; V660-E664 HydrophobicContact CB-CB 4.44Å; G661-E664 WeakPolarHBondContact CA-OE2 3.49Å; G661-E664 PolarHBondContact N-OE2 3.37Å; G661-E664 PolarHBondContact O-N 3.25Å; E662-E664 VanDerWaalsContact C-N 3.32Å; E662-E664 PolarHBondContact O-N 2.89Å; E664-N667 PolarHBondContact O-N 2.81Å; E664-G668 WeakPolarHBondContact O-CA 3.25Å; E664-G668 PolarHBondContact O-N 2.64Å; E664-T669 VanDerWaalsContact CA-OG1 3.31Å; E664-T669 WeakPolarHBondContact CA-OG1 3.29Å; E664-T669 WeakPolarHBondContact CB-O 3.25Å; E664-T669 PolarHBondContact O-N 3.36Å; E664-T669 PolarHBondContact O-OG1 2.76Å
665	K	97.3	Very high	97.1	Very high	93 Å²	93	37 Å²	37	40%	0.404	18%	0.183	S	C	.	.	H	α-helix	trans	-62.3	-44.9	175	177.6	178.5	175.1	-179	0	112.3	L614 Y617 G661 E662 N667 G668	L614-K665 HydrophobicContact CD2-CB 4.04Å; L614-K665 HydrophobicContact CD2-CD 3.64Å; L614-K665 HydrophobicContact CD2-CG 4.49Å; Y617-K665 HydrophobicContact CD1-CB 3.82Å; Y617-K665 HydrophobicContact CD1-CG 4.29Å; Y617-K665 HydrophobicContact CD2-CB 4.33Å; Y617-K665 HydrophobicContact CD2-CG 4.03Å; Y617-K665 HydrophobicContact CE1-CB 4.2Å; Y617-K665 HydrophobicContact CG-CB 3.91Å; Y617-K665 HydrophobicContact CG-CD 4.42Å; Y617-K665 HydrophobicContact CG-CG 3.85Å; G661-K665 PolarHBondContact O-N 2.76Å; E662-K665 WeakPolarHBondContact O-CB 3.4Å; E662-K665 PolarHBondContact O-N 3.08Å; K665-N667 VanDerWaalsContact C-N 3.32Å; K665-N667 PolarHBondContact O-N 2.68Å; K665-G668 PolarHBondContact O-N 3.23Å
666	E	96.3	Very high	96.9	Very high	161 Å²	161	42.2 Å²	42.2	75%	0.752	21%	0.21	S	C	*	.	H	α-helix	trans	-62.8	-38.9	178.1	-73	178.1	176.6	0	0	112.1	E662 K663	E662-E666 WeakPolarHBondContact O-CG 3.19Å; E662-E666 PolarHBondContact O-N 3.2Å; K663-E666 PolarHBondContact O-N 3.22Å
667	N	96.2	Very high	96.4	Very high	90 Å²	90	45.8 Å²	45.8	48%	0.481	23%	0.23	S	C	.	.	H	α-helix	trans	-88	-10.8	-177.7	-66.9	-21.9	0	0	0	114.2	K663 E664 K665 T669 E682	K663-N667 WeakPolarHBondContact O-CB 3.29Å; K663-N667 PolarHBondContact O-N 3.39Å; K663-N667 PolarHBondContact O-ND2 3.35Å; E664-N667 PolarHBondContact O-N 2.81Å; K665-N667 VanDerWaalsContact C-N 3.32Å; K665-N667 PolarHBondContact O-N 2.68Å; N667-T669 VanDerWaalsContact C-N 3.33Å; N667-T669 HydrophobicContact CB-CG2 3.71Å; N667-E682 PolarHBondContact ND2-OE1 3.39Å
668	G	95.9	Very high	96.2	Very high	31 Å²	31	51.6 Å²	51.6	32%	0.32	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	35	-171.5	0	0	0	0	0	113	Y617 E664 K665 V685	Y617-G668 WeakPolarHBondContact OH-CA 3.43Å; E664-G668 WeakPolarHBondContact O-CA 3.25Å; E664-G668 PolarHBondContact O-N 2.64Å; K665-G668 PolarHBondContact O-N 3.23Å; G668-V685 PolarHBondContact O-N 3.03Å
669	T	98.1	Very high	96	Very high	9 Å²	9	55.1 Å²	55.1	6%	0.055	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	174.9	-174.4	57.8	0	0	0	0	112.5	Y617 E664 N667 E682 F683 T684	Y617-T669 PolarHBondContact OH-N 2.95Å; Y617-T669 VanDerWaalsContact OH-N 3.1Å; Y617-T669 PolarHBondContact OH-O 3.02Å; E664-T669 VanDerWaalsContact CA-OG1 3.31Å; E664-T669 WeakPolarHBondContact CA-OG1 3.29Å; E664-T669 WeakPolarHBondContact CB-O 3.25Å; E664-T669 PolarHBondContact O-N 3.36Å; E664-T669 PolarHBondContact O-OG1 2.76Å; N667-T669 VanDerWaalsContact C-N 3.33Å; N667-T669 HydrophobicContact CB-CG2 3.71Å; T669-E682 WeakPolarHBondContact CB-OE1 3.36Å; T669-E682 HydrophobicContact CG2-CG 4.01Å; T669-E682 WeakPolarHBondContact OG1-CG 3.34Å; T669-E682 PolarHBondContact OG1-OE1 3.04Å; T669-F683 CarbonylContact C-O 3.52Å; T669-F683 WeakPolarHBondContact CA-O 3.5Å; T669-F683 WeakPolarHBondContact CB-O 3.25Å; T669-T684 HydrophobicContact CG2-CG2 3.95Å
670	V	97.9	Very high	95.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	146.8	171.7	-61.9	0	0	0	0	109.5	V621 L658 V660 V672 E682 F683 V685 L688	V621-V670 HydrophobicContact CG1-CG1 3.71Å; V621-V670 HydrophobicContact CG2-CG1 4.17Å; L658-V670 HydrophobicContact CB-CB 4.24Å; L658-V670 HydrophobicContact CB-CG1 4.45Å; L658-V670 HydrophobicContact CB-CG2 4.5Å; L658-V670 HydrophobicContact CD2-CG2 4.27Å; V660-V670 HydrophobicContact CG1-CB 4.38Å; V660-V670 HydrophobicContact CG1-CG1 3.78Å; V670-V672 HydrophobicContact CG2-CG2 3.99Å; V670-E682 WeakPolarHBondContact O-CA 3.44Å; V670-F683 PolarHBondContact N-O 2.92Å; V670-F683 PolarHBondContact O-N 2.88Å; V670-V685 HydrophobicContact CG1-CG2 4.14Å; V670-L688 HydrophobicContact CG2-CD2 3.6Å
671	N	97.6	Very high	95.5	Very high	30 Å²	30	57.8 Å²	57.8	16%	0.16	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	114.7	170.7	-169.6	-84	0	0	0	109.9	V659 G681	V659-N671 HydrophobicContact CB-CB 4.28Å; V659-N671 PolarHBondContact N-O 2.82Å; V659-N671 PolarHBondContact O-N 3.14Å; N671-G681 CarbonylContact C-O 3.53Å; N671-G681 WeakPolarHBondContact CA-O 3.39Å
672	V	97.6	Very high	95.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.7	-171.6	-176.4	0	0	0	0	111.1	Y656 L658 V670 H680 G681 F683 L688 L707	Y656-V672 HydrophobicContact CD1-CG1 3.72Å; Y656-V672 HydrophobicContact CG-CG1 4.23Å; L658-V672 HydrophobicContact CD2-CB 4.35Å; L658-V672 HydrophobicContact CD2-CG1 4.13Å; L658-V672 HydrophobicContact CD2-CG2 3.82Å; V670-V672 HydrophobicContact CG2-CG2 3.99Å; V672-H680 HydrophobicContact CB-CB 4.23Å; V672-H680 HydrophobicContact CG1-CB 4.41Å; V672-H680 PolarHBondContact O-N 3.34Å; V672-G681 PolarHBondContact N-O 2.91Å; V672-F683 HydrophobicContact CB-CD2 4.09Å; V672-F683 HydrophobicContact CB-CE2 4.21Å; V672-F683 HydrophobicContact CG2-CD2 3.52Å; V672-F683 HydrophobicContact CG2-CE2 4.11Å; V672-F683 HydrophobicContact CG2-CG 4.44Å; V672-L688 HydrophobicContact CG2-CD1 3.97Å; V672-L688 HydrophobicContact CG2-CD2 4.1Å; V672-L707 HydrophobicContact CB-CD2 4.33Å; V672-L707 HydrophobicContact CG1-CD2 3.62Å
673	R	96.4	Very high	95.5	Very high	60 Å²	60	55.3 Å²	55.3	23%	0.226	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.3	173	-49.6	-175.7	177.2	-143.6	1.4	110.5	Y656 I657 K678 V679	Y656-R673 CarbonylContact C-O 3.54Å; Y656-R673 VanDerWaalsContact CA-O 3.31Å; Y656-R673 WeakPolarHBondContact CA-O 3.45Å; I657-R673 HydrophobicContact CB-CB 4.37Å; I657-R673 PolarHBondContact N-O 3.34Å; I657-R673 PolarHBondContact O-N 3.14Å; R673-K678 CarbonylContact C-O 3.58Å; R673-K678 VanDerWaalsContact CA-O 3.27Å; R673-K678 WeakPolarHBondContact CA-O 3.29Å; R673-V679 HydrophobicContact CG-CG2 4.13Å
674	T	96.1	Very high	95.6	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.025	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	170.3	175.3	70.7	0	0	0	0	112	N655 Y656 D676 N677 K678 H680 E704	N655-T674 WeakPolarHBondContact O-CA 3.4Å; Y656-T674 HydrophobicContact CE1-CG2 4.47Å; T674-D676 PolarHBondContact O-N 3.19Å; T674-D676 VanDerWaalsContact O-N 3.17Å; T674-D676 PolarHBondContact OG1-N 3.42Å; T674-N677 WeakPolarHBondContact O-CA 3.5Å; T674-N677 PolarHBondContact O-N 3.36Å; T674-K678 HydrophobicContact CG2-CB 4.24Å; T674-K678 PolarHBondContact N-O 2.82Å; T674-K678 WeakPolarHBondContact OG1-CB 3.47Å; T674-K678 PolarHBondContact OG1-N 2.87Å; T674-H680 WeakPolarHBondContact CG2-NE2 3.41Å; T674-E704 HydrophobicContact CG2-CB 3.82Å; T674-E704 HydrophobicContact CG2-CG 3.99Å
675	R	93.5	Very high	95.6	Very high	9 Å²	9	52 Å²	52	3%	0.034	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.9	174.2	87	-178.9	69.9	-152	-0.8	113.6	K595 W596 Q650 Q653 Y654 N655 N677 E704	K595-R675 VanDerWaalsContact CA-NH1 3.32Å; W596-R675 PolarHBondContact O-NH2 3.25Å; W596-R675 VanDerWaalsContact O-NH2 3.13Å; Q650-R675 WeakPolarHBondContact CB-O 3.42Å; Q650-R675 WeakPolarHBondContact CG-O 3.25Å; Q650-R675 PolarHBondContact NE2-O 3.01Å; Q653-R675 PolarHBondContact O-NH1 3.23Å; Q653-R675 VanDerWaalsContact O-NH1 3.07Å; Q653-R675 VanDerWaalsContact OE1-CD 3.3Å; Y654-R675 WeakPolarHBondContact O-CB 3.48Å; N655-R675 PolarHBondContact ND2-NH2 2.95Å; N655-R675 PolarHBondContact O-N 2.94Å; R675-N677 VanDerWaalsContact C-N 3.28Å; R675-E704 WeakPolarHBondContact CG-OE2 3.22Å; R675-E704 IonicContact CZ-OE1 3.47Å; R675-E704 IonicContact NE-OE1 3.35Å; R675-E704 PolarHBondContact NE-OE1 2.87Å; R675-E704 IonicContact NE-OE2 3.57Å; R675-E704 IonicContact NH2-OE1 3.66Å; R675-E704 PolarHBondContact NH2-OE1 2.7Å
676	D	92.2	Very high	95.6	Very high	108 Å²	108	52 Å²	52	58%	0.578	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	13.9	177.7	-63.9	-33.8	0	0	0	112.4	K595 T674 K678	K595-D676 IonicContact NZ-OD1 2.8Å; K595-D676 PolarHBondContact NZ-OD1 3.46Å; T674-D676 PolarHBondContact O-N 3.19Å; T674-D676 VanDerWaalsContact O-N 3.17Å; T674-D676 PolarHBondContact OG1-N 3.42Å; D676-K678 VanDerWaalsContact C-N 3.31Å; D676-K678 PolarHBondContact O-N 3.3Å
677	N	89.5	Confident	95.7	Very high	76 Å²	76	46.7 Å²	46.7	41%	0.406	26%	0.259	S	S	.	.			trans	64.6	24.4	179.2	-159.3	30.9	0	0	0	115.1	T674 R675	T674-N677 WeakPolarHBondContact O-CA 3.5Å; T674-N677 PolarHBondContact O-N 3.36Å; R675-N677 VanDerWaalsContact C-N 3.28Å
678	K	93.8	Very high	95.7	Very high	121 Å²	121	42.4 Å²	42.4	53%	0.526	24%	0.237	S	C	.	.			trans	-78	124.2	170.1	-171.9	-177.9	177	-171.5	0	109	R673 T674 D676	R673-K678 CarbonylContact C-O 3.58Å; R673-K678 VanDerWaalsContact CA-O 3.27Å; R673-K678 WeakPolarHBondContact CA-O 3.29Å; T674-K678 HydrophobicContact CG2-CB 4.24Å; T674-K678 PolarHBondContact N-O 2.82Å; T674-K678 WeakPolarHBondContact OG1-CB 3.47Å; T674-K678 PolarHBondContact OG1-N 2.87Å; D676-K678 VanDerWaalsContact C-N 3.31Å; D676-K678 PolarHBondContact O-N 3.3Å
679	V	93.4	Very high	95.9	Very high	75 Å²	75	41.7 Å²	41.7	46%	0.455	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.3	179.5	-176.2	0	0	0	0	109.5	R673	R673-V679 HydrophobicContact CG-CG2 4.13Å
680	H	92.5	Very high	95.8	Very high	42 Å²	42	47.4 Å²	47.4	19%	0.194	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-10.7	177.7	-80	-121.5	0	0	0	113	V672 T674 F683 E704 L707	V672-H680 HydrophobicContact CB-CB 4.23Å; V672-H680 HydrophobicContact CG1-CB 4.41Å; V672-H680 PolarHBondContact O-N 3.34Å; T674-H680 WeakPolarHBondContact CG2-NE2 3.41Å; H680-F683 HydrophobicContact CB-CE2 3.92Å; H680-F683 HydrophobicContact CB-CZ 4.4Å; H680-F683 WeakPolarHBondContact O-CE2 3.47Å; H680-E704 PolarHBondContact CE1-O 3.38Å; H680-E704 PolarHBondContact NE2-O 3Å; H680-E704 VanDerWaalsContact NE2-O 3.15Å; H680-L707 HydrophobicContact CB-CD2 4.26Å
681	G	94.2	Very high	95.8	Very high	22 Å²	22	50.7 Å²	50.7	23%	0.227	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	97.2	-164.1	178.4	0	0	0	0	0	113.1	N671 V672	N671-G681 CarbonylContact C-O 3.53Å; N671-G681 WeakPolarHBondContact CA-O 3.39Å; V672-G681 PolarHBondContact N-O 2.91Å
682	E	96.6	Very high	95.9	Very high	59 Å²	59	49.2 Å²	49.2	28%	0.276	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.4	-172.6	-173.4	-180	165.5	0	0	110.9	K663 N667 T669 V670	K663-E682 WeakPolarHBondContact CE-OE2 3.3Å; K663-E682 IonicContact NZ-OE2 2.69Å; K663-E682 PolarHBondContact NZ-OE2 3.32Å; N667-E682 PolarHBondContact ND2-OE1 3.39Å; T669-E682 WeakPolarHBondContact CB-OE1 3.36Å; T669-E682 HydrophobicContact CG2-CG 4.01Å; T669-E682 WeakPolarHBondContact OG1-CG 3.34Å; T669-E682 PolarHBondContact OG1-OE1 3.04Å; V670-E682 WeakPolarHBondContact O-CA 3.44Å
683	F	97.3	Very high	95.9	Very high	29 Å²	29	55.1 Å²	55.1	13%	0.127	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.5	177.2	-62.3	-89	0	0	0	110	T669 V670 V672 H680 D687 L688 L707	T669-F683 CarbonylContact C-O 3.52Å; T669-F683 WeakPolarHBondContact CA-O 3.5Å; T669-F683 WeakPolarHBondContact CB-O 3.25Å; V670-F683 PolarHBondContact N-O 2.92Å; V670-F683 PolarHBondContact O-N 2.88Å; V672-F683 HydrophobicContact CB-CD2 4.09Å; V672-F683 HydrophobicContact CB-CE2 4.21Å; V672-F683 HydrophobicContact CG2-CD2 3.52Å; V672-F683 HydrophobicContact CG2-CE2 4.11Å; V672-F683 HydrophobicContact CG2-CG 4.44Å; H680-F683 HydrophobicContact CB-CE2 3.92Å; H680-F683 HydrophobicContact CB-CZ 4.4Å; H680-F683 WeakPolarHBondContact O-CE2 3.47Å; F683-D687 WeakPolarHBondContact CD1-OD2 3.4Å; F683-L688 HydrophobicContact CB-CB 4.42Å; F683-L707 HydrophobicContact CE2-CD2 4.47Å
684	T	97.9	Very high	95.9	Very high	67 Å²	67	56.5 Å²	56.5	41%	0.411	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	147.1	166.3	67	0	0	0	0	109.3	T669 S686 D687 L688	T669-T684 HydrophobicContact CG2-CG2 3.95Å; T684-S686 PolarHBondContact O-N 3.25Å; T684-D687 PolarHBondContact O-N 3.2Å; T684-D687 VanDerWaalsContact O-N 3.15Å; T684-D687 VanDerWaalsContact OG1-CB 3.27Å; T684-D687 WeakPolarHBondContact OG1-CB 3.46Å; T684-D687 PolarHBondContact OG1-N 3.5Å; T684-D687 VanDerWaalsContact OG1-N 3.1Å; T684-L688 PolarHBondContact O-N 2.9Å
685	V	97.2	Very high	96	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-56.6	-37.1	178.4	179.3	0	0	0	0	110.8	V621 K624 I625 G668 V670 L688 I689	V621-V685 HydrophobicContact CG1-CG2 4.28Å; V621-V685 HydrophobicContact CG2-CG2 3.97Å; K624-V685 HydrophobicContact CB-CG1 4.12Å; K624-V685 HydrophobicContact CD-CG1 4.22Å; I625-V685 HydrophobicContact CG1-CG1 4.33Å; G668-V685 PolarHBondContact O-N 3.03Å; V670-V685 HydrophobicContact CG1-CG2 4.14Å; V685-L688 PolarHBondContact O-N 3.09Å; V685-I689 HydrophobicContact CG1-CD1 4.01Å; V685-I689 VanDerWaalsContact O-CG1 3.29Å; V685-I689 WeakPolarHBondContact O-CG1 3.42Å; V685-I689 PolarHBondContact O-N 2.9Å
686	S	97.4	Very high	96.1	Very high	92 Å²	92	58.7 Å²	58.7	64%	0.643	29%	0.293	S	S	*	.	H	α-helix	trans	-66.8	-43.5	177.4	-60.2	0	0	0	0	113.5	T684 L688 I689 Q690	T684-S686 PolarHBondContact O-N 3.25Å; S686-L688 VanDerWaalsContact C-N 3.34Å; S686-I689 PolarHBondContact O-N 3.29Å; S686-Q690 PolarHBondContact O-N 3.07Å; S686-Q690 VanDerWaalsContact O-N 3.14Å
687	D	97.6	Very high	96.2	Very high	49 Å²	49	58.1 Å²	58.1	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-64.3	-41.5	175.4	-176.3	45.4	0	0	0	110.8	F683 T684 I689 Q690 R691	F683-D687 WeakPolarHBondContact CD1-OD2 3.4Å; T684-D687 PolarHBondContact O-N 3.2Å; T684-D687 VanDerWaalsContact O-N 3.15Å; T684-D687 VanDerWaalsContact OG1-CB 3.27Å; T684-D687 WeakPolarHBondContact OG1-CB 3.46Å; T684-D687 PolarHBondContact OG1-N 3.5Å; T684-D687 VanDerWaalsContact OG1-N 3.1Å; D687-I689 VanDerWaalsContact C-N 3.35Å; D687-I689 PolarHBondContact O-N 3.29Å; D687-Q690 WeakPolarHBondContact O-CB 3.46Å; D687-Q690 PolarHBondContact O-N 3.1Å; D687-Q690 VanDerWaalsContact O-N 3.09Å; D687-R691 WeakPolarHBondContact O-CG 3.37Å; D687-R691 PolarHBondContact O-N 2.8Å; D687-R691 IonicContact OD1-NE 3.52Å; D687-R691 IonicContact OD2-CZ 3.53Å; D687-R691 IonicContact OD2-NE 2.73Å; D687-R691 PolarHBondContact OD2-NE 2.78Å; D687-R691 IonicContact OD2-NH2 3.37Å; D687-R691 PolarHBondContact OD2-NH2 2.86Å; D687-R691 VanDerWaalsContact OD2-NH2 3.17Å
688	L	97.8	Very high	96.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-43.9	177.4	-174.9	62.2	0	0	0	112	I625 L658 V670 V672 F683 T684 V685 S686 Q690 R691 F692 L707	I625-L688 HydrophobicContact CD1-CD2 4.47Å; L658-L688 HydrophobicContact CD1-CD2 3.83Å; L658-L688 HydrophobicContact CD2-CD2 3.65Å; L658-L688 HydrophobicContact CG-CD2 4.42Å; V670-L688 HydrophobicContact CG2-CD2 3.6Å; V672-L688 HydrophobicContact CG2-CD1 3.97Å; V672-L688 HydrophobicContact CG2-CD2 4.1Å; F683-L688 HydrophobicContact CB-CB 4.42Å; T684-L688 PolarHBondContact O-N 2.9Å; V685-L688 PolarHBondContact O-N 3.09Å; S686-L688 VanDerWaalsContact C-N 3.34Å; L688-Q690 VanDerWaalsContact C-N 3.29Å; L688-Q690 PolarHBondContact O-N 2.96Å; L688-R691 WeakPolarHBondContact O-CB 3.4Å; L688-R691 PolarHBondContact O-N 3.5Å; L688-F692 HydrophobicContact CD1-CD1 4.05Å; L688-F692 HydrophobicContact CD1-CE1 3.46Å; L688-F692 VanDerWaalsContact CD1-CE1 3.46Å; L688-F692 HydrophobicContact CD1-CE2 4.45Å; L688-F692 HydrophobicContact CD1-CZ 3.7Å; L688-F692 HydrophobicContact CD2-CE1 4.48Å; L688-F692 HydrophobicContact CD2-CE2 4.16Å; L688-F692 HydrophobicContact CD2-CZ 3.87Å; L688-F692 HydrophobicContact CG-CD1 4.34Å; L688-F692 HydrophobicContact CG-CD2 4.42Å; L688-F692 HydrophobicContact CG-CE1 3.88Å; L688-F692 HydrophobicContact CG-CE2 3.97Å; L688-F692 HydrophobicContact CG-CZ 3.68Å; L688-F692 WeakPolarHBondContact O-CG 3.15Å; L688-F692 PolarHBondContact O-N 2.91Å; L688-L707 HydrophobicContact CD1-CD1 4.08Å; L688-L707 HydrophobicContact CD1-CD2 4.35Å
689	I	98.3	Very high	96.6	Very high	17 Å²	17	56 Å²	56	9%	0.087	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-39.5	174.9	-72.9	166.4	0	0	0	111.1	I625 A628 F630 V685 S686 D687 F692 R693	I625-I689 HydrophobicContact CG1-CD1 4.41Å; I625-I689 HydrophobicContact CG1-CG1 4.21Å; A628-I689 HydrophobicContact CB-CD1 4.02Å; A628-I689 HydrophobicContact CB-CG1 4.19Å; A628-I689 HydrophobicContact CB-CG2 3.69Å; F630-I689 HydrophobicContact CE2-CG2 4.27Å; V685-I689 HydrophobicContact CG1-CD1 4.01Å; V685-I689 VanDerWaalsContact O-CG1 3.29Å; V685-I689 WeakPolarHBondContact O-CG1 3.42Å; V685-I689 PolarHBondContact O-N 2.9Å; S686-I689 PolarHBondContact O-N 3.29Å; D687-I689 VanDerWaalsContact C-N 3.35Å; D687-I689 PolarHBondContact O-N 3.29Å; I689-F692 PolarHBondContact O-N 3.26Å; I689-R693 WeakPolarHBondContact O-CG 3.49Å; I689-R693 PolarHBondContact O-N 2.87Å
690	Q	98	Very high	96.7	Very high	129 Å²	129	53 Å²	53	60%	0.603	26%	0.26	S	S	*	.	H	α-helix	trans	-64.9	-41	176.5	-173.7	175.1	6.9	0	0	111.9	S686 D687 L688 R693 R694	S686-Q690 PolarHBondContact O-N 3.07Å; S686-Q690 VanDerWaalsContact O-N 3.14Å; D687-Q690 WeakPolarHBondContact O-CB 3.46Å; D687-Q690 PolarHBondContact O-N 3.1Å; D687-Q690 VanDerWaalsContact O-N 3.09Å; L688-Q690 VanDerWaalsContact C-N 3.29Å; L688-Q690 PolarHBondContact O-N 2.96Å; Q690-R693 PolarHBondContact O-N 3.13Å; Q690-R694 PolarHBondContact O-N 3.3Å; Q690-R694 VanDerWaalsContact O-N 3.13Å
691	R	97.5	Very high	96.6	Very high	68 Å²	68	55.1 Å²	55.1	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-63.3	-44.1	174.5	-66.6	171.3	-176	-84.5	-5.5	111.6	D687 L688 R693 R694 L695 L707	D687-R691 WeakPolarHBondContact O-CG 3.37Å; D687-R691 PolarHBondContact O-N 2.8Å; D687-R691 IonicContact OD1-NE 3.52Å; D687-R691 IonicContact OD2-CZ 3.53Å; D687-R691 IonicContact OD2-NE 2.73Å; D687-R691 PolarHBondContact OD2-NE 2.78Å; D687-R691 IonicContact OD2-NH2 3.37Å; D687-R691 PolarHBondContact OD2-NH2 2.86Å; D687-R691 VanDerWaalsContact OD2-NH2 3.17Å; L688-R691 WeakPolarHBondContact O-CB 3.4Å; L688-R691 PolarHBondContact O-N 3.5Å; R691-R693 VanDerWaalsContact C-N 3.31Å; R691-R693 PolarHBondContact O-N 3.03Å; R691-R694 WeakPolarHBondContact O-CB 3.31Å; R691-R694 PolarHBondContact O-N 2.89Å; R691-L695 WeakPolarHBondContact O-CG 3.35Å; R691-L695 PolarHBondContact O-N 3.49Å; R691-L707 HydrophobicContact CB-CD1 3.86Å; R691-L707 PolarHBondContact NH1-O 2.87Å
692	F	98.2	Very high	96.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-40.3	175.7	-73.5	-1.7	0	0	0	112.4	F598 A605 I625 F630 Y656 L688 I689 L695 K696 L707	F598-F692 HydrophobicContact CE1-CB 3.75Å; F598-F692 HydrophobicContact CE1-CD1 4.22Å; F598-F692 AromaticContact CE1-CG 4Å; F598-F692 HydrophobicContact CE1-CG 4Å; F598-F692 WeakPolarHBondContact CE1-O 3.38Å; F598-F692 HydrophobicContact CE2-CB 4.48Å; F598-F692 AromaticContact CE2-CD1 3.67Å; F598-F692 HydrophobicContact CE2-CD1 3.67Å; F598-F692 HydrophobicContact CE2-CD2 4.07Å; F598-F692 AromaticContact CE2-CE1 3.75Å; F598-F692 HydrophobicContact CE2-CE1 3.75Å; F598-F692 HydrophobicContact CE2-CE2 4.14Å; F598-F692 AromaticContact CE2-CG 3.83Å; F598-F692 HydrophobicContact CE2-CG 3.83Å; F598-F692 AromaticContact CE2-CZ 3.99Å; F598-F692 HydrophobicContact CE2-CZ 3.99Å; F598-F692 HydrophobicContact CZ-CB 3.47Å; F598-F692 VanDerWaalsContact CZ-CB 3.47Å; F598-F692 AromaticContact CZ-CD1 3.5Å; F598-F692 HydrophobicContact CZ-CD1 3.5Å; F598-F692 VanDerWaalsContact CZ-CD1 3.5Å; F598-F692 AromaticContact CZ-CD2 3.61Å; F598-F692 HydrophobicContact CZ-CD2 3.61Å; F598-F692 HydrophobicContact CZ-CE1 4.05Å; F598-F692 HydrophobicContact CZ-CE2 4.15Å; F598-F692 AromaticContact CZ-CG 3.24Å; F598-F692 HydrophobicContact CZ-CG 3.24Å; F598-F692 HydrophobicContact CZ-CZ 4.35Å; A605-F692 HydrophobicContact CB-CE2 4.15Å; A605-F692 HydrophobicContact CB-CZ 4.27Å; I625-F692 HydrophobicContact CG2-CD2 4.38Å; I625-F692 HydrophobicContact CG2-CE2 4.24Å; F630-F692 HydrophobicContact CD1-CB 4.11Å; F630-F692 HydrophobicContact CD2-CB 4.19Å; F630-F692 HydrophobicContact CD2-CD2 4.32Å; F630-F692 HydrophobicContact CE1-CB 3.73Å; F630-F692 HydrophobicContact CE2-CB 3.81Å; F630-F692 HydrophobicContact CG-CB 4.34Å; F630-F692 HydrophobicContact CG-CD2 4.29Å; F630-F692 VanDerWaalsContact CZ-C 3.5Å; F630-F692 HydrophobicContact CZ-CB 3.58Å; Y656-F692 HydrophobicContact CD2-CD1 4.35Å; Y656-F692 AromaticContact CD2-CE1 3.34Å; Y656-F692 HydrophobicContact CD2-CE1 3.34Å; Y656-F692 AromaticContact CD2-CZ 3.64Å; Y656-F692 HydrophobicContact CD2-CZ 3.64Å; Y656-F692 HydrophobicContact CE2-CD1 4.18Å; Y656-F692 AromaticContact CE2-CE1 3.52Å; Y656-F692 HydrophobicContact CE2-CE1 3.52Å; Y656-F692 HydrophobicContact CE2-CZ 4.28Å; Y656-F692 HydrophobicContact CG-CE1 4.12Å; Y656-F692 HydrophobicContact CG-CZ 4.24Å; L688-F692 HydrophobicContact CD1-CD1 4.05Å; L688-F692 HydrophobicContact CD1-CE1 3.46Å; L688-F692 VanDerWaalsContact CD1-CE1 3.46Å; L688-F692 HydrophobicContact CD1-CE2 4.45Å; L688-F692 HydrophobicContact CD1-CZ 3.7Å; L688-F692 HydrophobicContact CD2-CE1 4.48Å; L688-F692 HydrophobicContact CD2-CE2 4.16Å; L688-F692 HydrophobicContact CD2-CZ 3.87Å; L688-F692 HydrophobicContact CG-CD1 4.34Å; L688-F692 HydrophobicContact CG-CD2 4.42Å; L688-F692 HydrophobicContact CG-CE1 3.88Å; L688-F692 HydrophobicContact CG-CE2 3.97Å; L688-F692 HydrophobicContact CG-CZ 3.68Å; L688-F692 WeakPolarHBondContact O-CG 3.15Å; L688-F692 PolarHBondContact O-N 2.91Å; I689-F692 PolarHBondContact O-N 3.26Å; F692-L695 HydrophobicContact CD1-CD1 4.4Å; F692-L695 PolarHBondContact O-N 3.42Å; F692-K696 WeakPolarHBondContact O-CB 3.35Å; F692-K696 PolarHBondContact O-N 3.14Å; F692-L707 HydrophobicContact CD1-CD1 4.14Å; F692-L707 HydrophobicContact CE1-CD1 3.99Å
693	R	97.6	Very high	96	Very high	123 Å²	123	55.1 Å²	55.1	46%	0.464	27%	0.266	S	S	.	.	H	α-helix	trans	-59.7	-48.2	173.5	-72.8	176.1	-174.6	141.5	1.8	111.5	F630 I689 Q690 R691 L695 K696 D697	F630-R693 HydrophobicContact CE2-CG 4Å; F630-R693 HydrophobicContact CZ-CB 4.33Å; F630-R693 HydrophobicContact CZ-CG 3.65Å; I689-R693 WeakPolarHBondContact O-CG 3.49Å; I689-R693 PolarHBondContact O-N 2.87Å; Q690-R693 PolarHBondContact O-N 3.13Å; R691-R693 VanDerWaalsContact C-N 3.31Å; R691-R693 PolarHBondContact O-N 3.03Å; R693-L695 PolarHBondContact O-N 2.91Å; R693-K696 PolarHBondContact O-N 3.12Å; R693-D697 WeakPolarHBondContact O-CB 3.27Å; R693-D697 PolarHBondContact O-N 2.79Å
694	R	97.4	Very high	95.6	Very high	89 Å²	89	55 Å²	55	34%	0.336	27%	0.265	S	S	.	.	H	α-helix	trans	-56.3	-51	175.6	-176.8	-175.9	59.8	130.2	-5.6	111.6	Q690 R691 K696 D697 E698 Q706 L707	Q690-R694 PolarHBondContact O-N 3.3Å; Q690-R694 VanDerWaalsContact O-N 3.13Å; R691-R694 WeakPolarHBondContact O-CB 3.31Å; R691-R694 PolarHBondContact O-N 2.89Å; R694-K696 PolarHBondContact O-N 2.85Å; R694-D697 PolarHBondContact O-N 3.15Å; R694-E698 VanDerWaalsContact CG-CD 3.43Å; R694-E698 HydrophobicContact CG-CG 4.23Å; R694-E698 WeakPolarHBondContact CG-OE1 3.3Å; R694-E698 WeakPolarHBondContact CG-OE2 3.25Å; R694-E698 WeakPolarHBondContact O-CB 3.37Å; R694-E698 PolarHBondContact O-N 2.85Å; R694-Q706 PolarHBondContact NH2-O 2.87Å; R694-L707 PolarHBondContact NH2-O 3.34Å; R694-L707 VanDerWaalsContact NH2-O 3.09Å
695	L	97.2	Very high	95.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-37.1	179.8	-66.5	177	0	0	0	112.4	F598 Y656 R691 F692 R693 Y699 V700 L707	F598-L695 HydrophobicContact CB-CD1 4.49Å; F598-L695 HydrophobicContact CD1-CB 3.66Å; F598-L695 HydrophobicContact CD1-CD1 4.21Å; F598-L695 HydrophobicContact CE1-CB 4.24Å; F598-L695 HydrophobicContact CG-CB 4.3Å; F598-L695 HydrophobicContact CG-CD1 4.2Å; Y656-L695 HydrophobicContact CE2-CD1 4.03Å; Y656-L695 VanDerWaalsContact OH-CD1 3.27Å; Y656-L695 WeakPolarHBondContact OH-CD1 3.48Å; R691-L695 WeakPolarHBondContact O-CG 3.35Å; R691-L695 PolarHBondContact O-N 3.49Å; F692-L695 HydrophobicContact CD1-CD1 4.4Å; F692-L695 PolarHBondContact O-N 3.42Å; R693-L695 PolarHBondContact O-N 2.91Å; L695-Y699 PolarHBondContact O-N 3.33Å; L695-V700 HydrophobicContact CD2-CB 3.83Å; L695-V700 HydrophobicContact CD2-CG1 3.98Å; L695-V700 HydrophobicContact CD2-CG2 3.92Å; L695-V700 PolarHBondContact O-N 3.26Å; L695-V700 VanDerWaalsContact O-N 3.09Å; L695-L707 HydrophobicContact CD1-CD1 3.9Å
696	K	96.5	Very high	94.6	Very high	60 Å²	60	62.3 Å²	62.3	26%	0.261	29%	0.294	S	S	.	.	H	α-helix	trans	-74.5	-44.3	178.1	-173.7	174.8	-177.2	173.3	0	113.1	W599 G629 F630 F692 R693 R694 Y699	W599-K696 HydrophobicContact CB-CB 4.41Å; W599-K696 HydrophobicContact CB-CG 4.35Å; G629-K696 PolarHBondContact O-NZ 3.19Å; F630-K696 HydrophobicContact CD1-CD 4.39Å; F630-K696 HydrophobicContact CE1-CB 4.17Å; F630-K696 HydrophobicContact CE1-CD 3.77Å; F692-K696 WeakPolarHBondContact O-CB 3.35Å; F692-K696 PolarHBondContact O-N 3.14Å; R693-K696 PolarHBondContact O-N 3.12Å; R694-K696 PolarHBondContact O-N 2.85Å; K696-Y699 WeakPolarHBondContact O-CD1 3.46Å
697	D	94.9	Very high	94.1	Very high	96 Å²	96	59 Å²	59	51%	0.513	27%	0.27	S	S	.	.	H	α-helix	trans	-78.7	-28.8	-174.5	-73.3	-30.3	0	0	0	113.2	K347 R693 R694	K347-D697 IonicContact NZ-OD1 3.9Å; R693-D697 WeakPolarHBondContact O-CB 3.27Å; R693-D697 PolarHBondContact O-N 2.79Å; R694-D697 PolarHBondContact O-N 3.15Å
698	E	95.7	Very high	93.9	Very high	121 Å²	121	59.6 Å²	59.6	57%	0.565	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	0.6	174.4	-64.1	176.9	-176.3	0	0	113	R694 V700	R694-E698 VanDerWaalsContact CG-CD 3.43Å; R694-E698 HydrophobicContact CG-CG 4.23Å; R694-E698 WeakPolarHBondContact CG-OE1 3.3Å; R694-E698 WeakPolarHBondContact CG-OE2 3.25Å; R694-E698 WeakPolarHBondContact O-CB 3.37Å; R694-E698 PolarHBondContact O-N 2.85Å; E698-V700 VanDerWaalsContact C-N 3.27Å; E698-V700 HydrophobicContact CB-CG2 3.83Å; E698-V700 PolarHBondContact O-N 3.22Å
699	Y	96.1	Very high	93.7	Very high	30 Å²	30	62.7 Å²	62.7	12%	0.118	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	41.2	-178.6	-48.8	-66.7	0	0	0	113.8	F344 K347 F470 T474 W599 L695 K696 K701	F344-Y699 AromaticContact CD2-CD1 4Å; F344-Y699 HydrophobicContact CD2-CD1 4Å; F344-Y699 AromaticContact CD2-CE1 3.47Å; F344-Y699 HydrophobicContact CD2-CE1 3.47Å; F344-Y699 VanDerWaalsContact CD2-CE1 3.47Å; F344-Y699 HydrophobicContact CD2-CE2 4.11Å; F344-Y699 AromaticContact CD2-CZ 3.53Å; F344-Y699 HydrophobicContact CE2-CD1 4.15Å; F344-Y699 HydrophobicContact CE2-CD2 4.07Å; F344-Y699 AromaticContact CE2-CE1 3.93Å; F344-Y699 HydrophobicContact CE2-CE1 3.93Å; F344-Y699 AromaticContact CE2-CE2 3.83Å; F344-Y699 HydrophobicContact CE2-CE2 3.83Å; F344-Y699 HydrophobicContact CE2-CG 4.23Å; F344-Y699 AromaticContact CE2-CZ 3.76Å; K347-Y699 WeakPolarHBondContact CD-OH 3.47Å; F470-Y699 HydrophobicContact CZ-CD2 4.46Å; F470-Y699 HydrophobicContact CZ-CE2 4.25Å; T474-Y699 VanDerWaalsContact CG2-CB 3.49Å; T474-Y699 HydrophobicContact CG2-CD2 4.32Å; T474-Y699 HydrophobicContact CG2-CG 3.96Å; W599-Y699 VanDerWaalsContact CD1-C 3.5Å; W599-Y699 AromaticContact CD2-CD1 3.94Å; W599-Y699 HydrophobicContact CD2-CD1 3.94Å; W599-Y699 HydrophobicContact CE3-CD1 4.01Å; W599-Y699 HydrophobicContact CG-CD1 4.31Å; W599-Y699 HydrophobicContact CZ3-CD1 4.34Å; W599-Y699 PolarHBondContact NE1-O 3.3Å; L695-Y699 PolarHBondContact O-N 3.33Å; K696-Y699 WeakPolarHBondContact O-CD1 3.46Å; Y699-K701 PolarHBondContact O-N 2.82Å; Y699-K701 VanDerWaalsContact O-N 3.12Å
700	V	94.8	Very high	93.4	Very high	12 Å²	12	65.2 Å²	65.2	7%	0.073	30%	0.295	C	S	.	.			trans	-63.6	115.6	-171.4	-177.3	0	0	0	0	111.1	L695 E698 Q706	L695-V700 HydrophobicContact CD2-CB 3.83Å; L695-V700 HydrophobicContact CD2-CG1 3.98Å; L695-V700 HydrophobicContact CD2-CG2 3.92Å; L695-V700 PolarHBondContact O-N 3.26Å; L695-V700 VanDerWaalsContact O-N 3.09Å; E698-V700 VanDerWaalsContact C-N 3.27Å; E698-V700 HydrophobicContact CB-CG2 3.83Å; E698-V700 PolarHBondContact O-N 3.22Å; V700-Q706 HydrophobicContact CG1-CB 4.12Å; V700-Q706 HydrophobicContact CG1-CG 4.35Å
701	K	90.6	Very high	93.2	Very high	88 Å²	88	61.5 Å²	61.5	38%	0.383	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-53.4	179.1	-176.7	171.6	174.3	163.9	0	112	F475 G476 Y699 S703	F475-K701 PolarHBondContact O-NZ 3.11Å; G476-K701 PolarHBondContact O-NZ 2.82Å; Y699-K701 PolarHBondContact O-N 2.82Å; Y699-K701 VanDerWaalsContact O-N 3.12Å; K701-S703 PolarHBondContact O-N 3.36Å; K701-S703 VanDerWaalsContact O-N 3.11Å
702	N	89.4	Confident	92.9	Very high	77 Å²	77	61.1 Å²	61.1	41%	0.412	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	52.2	179.2	-66.3	5.3	0	0	0	111.8	E704 E705 Q706	N702-E704 PolarHBondContact O-N 2.97Å; N702-E704 VanDerWaalsContact O-N 3.12Å; N702-E705 HydrophobicContact CB-CB 4.34Å; N702-E705 HydrophobicContact CB-CG 4.47Å; N702-E705 WeakPolarHBondContact CB-OE2 3.48Å; N702-E705 PolarHBondContact ND2-OE2 3.14Å; N702-E705 PolarHBondContact O-N 3.24Å; N702-Q706 PolarHBondContact O-N 3.33Å
703	S	89.4	Confident	92.5	Very high	3 Å²	3	65.1 Å²	65.1	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-49.3	-42.4	-174	49.5	0	0	0	0	114.2	F598 Y656 K701 E705 Q706 L707	F598-S703 VanDerWaalsContact CB-OG 3.31Å; F598-S703 WeakPolarHBondContact CB-OG 3.35Å; F598-S703 PolarHBondContact N-OG 3.03Å; Y656-S703 PolarHBondContact OH-O 3.14Å; K701-S703 PolarHBondContact O-N 3.36Å; K701-S703 VanDerWaalsContact O-N 3.11Å; S703-E705 VanDerWaalsContact C-N 3.3Å; S703-E705 PolarHBondContact O-N 2.85Å; S703-Q706 CarbonylContact O-C 3.51Å; S703-Q706 PolarHBondContact O-N 2.93Å; S703-Q706 VanDerWaalsContact O-N 3.13Å; S703-L707 PolarHBondContact O-N 3.43Å
704	E	89	Confident	92.2	Very high	26 Å²	26	61 Å²	61	12%	0.121	29%	0.285	C	S	.	.	H	α-helix	trans	-68	-23.3	-178.3	-73.6	164.7	-142.9	0	0	114.4	N655 Y656 T674 R675 H680 N702	N655-E704 WeakPolarHBondContact CA-OE1 3.49Å; Y656-E704 HydrophobicContact CE1-CG 4.11Å; T674-E704 HydrophobicContact CG2-CB 3.82Å; T674-E704 HydrophobicContact CG2-CG 3.99Å; R675-E704 WeakPolarHBondContact CG-OE2 3.22Å; R675-E704 IonicContact CZ-OE1 3.47Å; R675-E704 IonicContact NE-OE1 3.35Å; R675-E704 PolarHBondContact NE-OE1 2.87Å; R675-E704 IonicContact NE-OE2 3.57Å; R675-E704 IonicContact NH2-OE1 3.66Å; R675-E704 PolarHBondContact NH2-OE1 2.7Å; H680-E704 PolarHBondContact CE1-O 3.38Å; H680-E704 PolarHBondContact NE2-O 3Å; H680-E704 VanDerWaalsContact NE2-O 3.15Å; N702-E704 PolarHBondContact O-N 2.97Å; N702-E704 VanDerWaalsContact O-N 3.12Å
705	E	87.3	Confident	91.8	Very high	133 Å²	133	58.8 Å²	58.8	62%	0.621	28%	0.281	S	S	*	.	H	α-helix	trans	-85.6	-21.4	174.9	-65	176.8	163.6	0	0	112	N702 S703	N702-E705 HydrophobicContact CB-CB 4.34Å; N702-E705 HydrophobicContact CB-CG 4.47Å; N702-E705 WeakPolarHBondContact CB-OE2 3.48Å; N702-E705 PolarHBondContact ND2-OE2 3.14Å; N702-E705 PolarHBondContact O-N 3.24Å; S703-E705 VanDerWaalsContact C-N 3.3Å; S703-E705 PolarHBondContact O-N 2.85Å
706	Q	85	Confident	91.3	Very high	95 Å²	95	63.8 Å²	63.8	44%	0.444	31%	0.305	S	S	.	.	H	α-helix	trans	-114.2	4	-168.6	-62.8	-169.2	30.1	0	0	114.3	R694 V700 N702 S703	R694-Q706 PolarHBondContact NH2-O 2.87Å; V700-Q706 HydrophobicContact CG1-CB 4.12Å; V700-Q706 HydrophobicContact CG1-CG 4.35Å; N702-Q706 PolarHBondContact O-N 3.33Å; S703-Q706 CarbonylContact O-C 3.51Å; S703-Q706 PolarHBondContact O-N 2.93Å; S703-Q706 VanDerWaalsContact O-N 3.13Å
707	L	87.1	Confident	90.8	Very high	24 Å²	24	64.1 Å²	64.1	13%	0.126	31%	0.309	C	S	.	.			trans	-50.2	0	175.5	-177.2	72.4	0	0	0	111.8	Y656 V672 H680 F683 L688 R691 F692 R694 L695 S703	Y656-L707 HydrophobicContact CD1-CD2 4.23Å; Y656-L707 HydrophobicContact CE1-CB 4.16Å; Y656-L707 HydrophobicContact CE1-CD1 4.24Å; Y656-L707 HydrophobicContact CE1-CD2 3.82Å; Y656-L707 HydrophobicContact CE1-CG 4.3Å; Y656-L707 HydrophobicContact CE2-CD1 4.23Å; V672-L707 HydrophobicContact CB-CD2 4.33Å; V672-L707 HydrophobicContact CG1-CD2 3.62Å; H680-L707 HydrophobicContact CB-CD2 4.26Å; F683-L707 HydrophobicContact CE2-CD2 4.47Å; L688-L707 HydrophobicContact CD1-CD1 4.08Å; L688-L707 HydrophobicContact CD1-CD2 4.35Å; R691-L707 HydrophobicContact CB-CD1 3.86Å; R691-L707 PolarHBondContact NH1-O 2.87Å; F692-L707 HydrophobicContact CD1-CD1 4.14Å; F692-L707 HydrophobicContact CE1-CD1 3.99Å; R694-L707 PolarHBondContact NH2-O 3.34Å; R694-L707 VanDerWaalsContact NH2-O 3.09Å; L695-L707 HydrophobicContact CD1-CD1 3.9Å; S703-L707 PolarHBondContact O-N 3.43Å

Retrieved 707 of 707 residues in 745.5 ms (Link to these results)

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