A0A061AKN1_CAEEL Loading...

Phosphoserine phosphatase

AlphaFold DB , UniProt , Accession A0A061AKN1, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 281 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	50.2	Low	40.2	Very low	245 Å²	245	199.5 Å²	199.5	100%	1.207	91%	0.909	S	S	*	*				0	66.4	0	-70.1	-171.3	-63.7	0	0	109.7
2	Q	45.6	Very low	39.3	Very low	194 Å²	194	195.2 Å²	195.2	91%	0.907	90%	0.898	S	S	*	*			trans	-144	60.1	178.3	-97.2	-173.5	-27.8	0	0	107
3	Q	41	Very low	38.8	Very low	182 Å²	182	187.4 Å²	187.4	85%	0.85	89%	0.889	S	S	*	*			trans	-153.4	31.2	-179.3	-100.9	-163.4	-16.9	0	0	114
4	H	42.8	Very low	38.5	Very low	185 Å²	185	183.3 Å²	183.3	86%	0.856	88%	0.882	S	S	*	*	S	Bend	trans	-142.3	29.7	179.5	-92.5	-62.1	0	0	0	116.8
5	Q	41.2	Very low	37.9	Very low	199 Å²	199	181.3 Å²	181.3	93%	0.93	88%	0.877	S	S	*	*	S	Bend	trans	-134.6	45.9	171.6	-82.1	-166.7	-24.8	0	0	113.8
6	Q	40.2	Very low	37.7	Very low	199 Å²	199	178.4 Å²	178.4	93%	0.93	87%	0.866	S	S	*	*			trans	-134.9	69.5	166.2	-100.2	-171.1	-11.8	0	0	109.2
7	Q	40	Very low	37.3	Very low	170 Å²	170	177.8 Å²	177.8	79%	0.794	86%	0.863	S	S	*	*			trans	-157.2	48.9	172.4	-152.1	173.5	5.7	0	0	113.5
8	Y	39.1	Very low	37.2	Very low	224 Å²	224	176.4 Å²	176.4	88%	0.878	86%	0.859	S	S	*	*			trans	-151.7	105.4	157.7	-85.9	-77.6	0	0	0	107.4
9	Y	35.5	Very low	37	Very low	236 Å²	236	179.2 Å²	179.2	93%	0.925	86%	0.859	S	S	*	*			trans	161	63.8	148.1	-84.1	-65	0	0	0	108.3
10	L	32.2	Very low	36.9	Very low	169 Å²	169	177.3 Å²	177.3	89%	0.885	86%	0.859	S	S	*	*			trans	-111.1	93.6	162.7	-167.7	84	0	0	0	105.8
11	F	34.4	Very low	37	Very low	191 Å²	191	172.8 Å²	172.8	84%	0.838	85%	0.851	S	S	*	*			trans	-137.9	108.6	166.5	-122.7	-107.3	0	0	0	108.5
12	L	30	Very low	36.1	Very low	148 Å²	148	169.2 Å²	169.2	78%	0.775	84%	0.835	S	S	*	*			trans	68.9	88.2	163.4	-72.4	93.7	0	0	0	119.6
13	A	32.6	Very low	35.6	Very low	94 Å²	94	165.2 Å²	165.2	78%	0.777	83%	0.826	S	S	*	*			trans	-88.2	137.1	135.2	0	0	0	0	0	108.8
14	T	33.9	Very low	35.7	Very low	130 Å²	130	162.9 Å²	162.9	80%	0.798	83%	0.825	S	S	*	*			trans	161.1	106.6	135.4	-58.2	0	0	0	0	109.5
15	L	30.3	Very low	35.2	Very low	154 Å²	154	160.8 Å²	160.8	81%	0.806	83%	0.825	S	S	*	*			trans	-161.4	101.7	142.1	-141.6	68.6	0	0	0	113.3
16	I	33.8	Very low	35.4	Very low	135 Å²	135	156.5 Å²	156.5	69%	0.692	82%	0.824	S	S	*	*			trans	59.8	110.7	131.9	-55.3	174.8	0	0	0	119.5	I18	I16-I18 HydrophobicContact CG2-CG1 4.42Å
17	M	32.1	Very low	35	Very low	167 Å²	167	152 Å²	152	82%	0.823	81%	0.814	S	S	*	*			trans	-59	130.9	155.6	-72.3	-103	-127.7	0	0	112.9
18	I	34.3	Very low	35.3	Very low	153 Å²	153	148.7 Å²	148.7	79%	0.785	82%	0.816	S	S	*	*			trans	-135.2	111.9	146	-64.1	-176.8	0	0	0	108.4	I16 V20	I16-I18 HydrophobicContact CG2-CG1 4.42Å; I18-V20 HydrophobicContact CG2-CG2 4.26Å
19	R	34.5	Very low	35.2	Very low	230 Å²	230	144.9 Å²	144.9	87%	0.868	81%	0.809	S	S	*	*			trans	-80.7	130.7	165.2	-84.9	-179.7	168	-171.4	-3.4	108.7
20	V	35.2	Very low	35.2	Very low	140 Å²	140	139 Å²	139	85%	0.848	80%	0.8	S	S	*	*			trans	-127.5	120.6	153.4	-179.4	0	0	0	0	106.9	I18	I18-V20 HydrophobicContact CG2-CG2 4.26Å
21	A	37.8	Very low	35.3	Very low	84 Å²	84	142.6 Å²	142.6	69%	0.694	80%	0.802	S	S	*	*			trans	-106.2	144.7	172.3	0	0	0	0	0	108.8
22	L	32.3	Very low	35.6	Very low	169 Å²	169	138.5 Å²	138.5	89%	0.885	80%	0.796	S	S	*	*			trans	170.1	163	149.7	-92.4	159.5	0	0	0	109.6
23	P	35.2	Very low	36.5	Very low	110 Å²	110	138.8 Å²	138.8	71%	0.714	80%	0.797	S	S	*	*				-113.3	173.7	-89.7	29.9	-8.9	0	0	0	114.6
24	T	42.5	Very low	37	Very low	134 Å²	134	139.6 Å²	139.6	82%	0.822	80%	0.797	S	S	*	*			trans	-38.5	135.5	173.2	31.1	0	0	0	0	117.7
25	T	32.8	Very low	37.7	Very low	141 Å²	141	136 Å²	136	87%	0.865	78%	0.775	S	S	*	*				-146.6	125.8	128	47.8	0	0	0	0	110.6
26	A	44.4	Very low	38.6	Very low	108 Å²	108	131.5 Å²	131.5	89%	0.893	76%	0.757	S	S	*	*			trans	-77.2	126.7	168.3	0	0	0	0	0	108.9
27	S	33	Very low	39.9	Very low	104 Å²	104	130.1 Å²	130.1	73%	0.727	76%	0.757	S	S	*	*			trans	-135.2	119.4	162.7	-174.6	0	0	0	0	107.9	I29	S27-I29 PolarHBondContact O-N 3.24Å
28	A	45.2	Very low	41.2	Very low	101 Å²	101	124.5 Å²	124.5	84%	0.835	74%	0.741	S	S	*	*			trans	-69.4	110.2	176.2	0	0	0	0	0	108.9
29	I	37.2	Very low	42.5	Very low	145 Å²	145	121.4 Å²	121.4	74%	0.744	72%	0.723	S	S	*	*			trans	-88.2	126.8	168.7	-56.6	175.6	0	0	0	106.5	S27 R31	S27-I29 PolarHBondContact O-N 3.24Å; I29-R31 PolarHBondContact O-N 2.82Å
30	P	36.3	Very low	43.9	Very low	111 Å²	111	113.1 Å²	113.1	72%	0.721	70%	0.699	S	S	*	*			trans	-61.6	128.8	174.2	25.9	-30.7	0	0	0	108.2	S32	P30-S32 VanDerWaalsContact C-N 3.28Å; P30-S32 PolarHBondContact O-N 3.28Å
31	R	33.7	Very low	45.3	Very low	246 Å²	246	111 Å²	111	93%	0.928	68%	0.681	S	S	*	*			trans	-61	93.6	170.2	-86	178.9	170.9	162.1	-3.4	107.8	I29 I33	I29-R31 PolarHBondContact O-N 2.82Å; R31-I33 PolarHBondContact O-N 3.32Å
32	S	40.2	Very low	46.9	Very low	104 Å²	104	110.3 Å²	110.3	73%	0.727	67%	0.672	S	S	*	*			trans	-65.6	120.3	160.7	50.5	0	0	0	0	107	P30 S34	P30-S32 VanDerWaalsContact C-N 3.28Å; P30-S32 PolarHBondContact O-N 3.28Å; S32-S34 VanDerWaalsContact C-N 3.26Å; S32-S34 PolarHBondContact O-N 3.31Å
33	I	49.5	Very low	49	Very low	155 Å²	155	107.3 Å²	107.3	80%	0.795	65%	0.651	S	S	*	*			trans	-69.2	92.6	169.3	-59.8	170.9	0	0	0	105.1	R31 T35	R31-I33 PolarHBondContact O-N 3.32Å; I33-T35 VanDerWaalsContact C-N 3.33Å; I33-T35 HydrophobicContact CG2-CG2 4.04Å; I33-T35 PolarHBondContact O-N 3.22Å; I33-T35 VanDerWaalsContact O-N 3.08Å
34	S	42	Very low	51.3	Low	110 Å²	110	107 Å²	107	77%	0.769	64%	0.643	S	S	*	*			trans	-78.1	88.6	171.7	74.4	0	0	0	0	108	S32 S36	S32-S34 VanDerWaalsContact C-N 3.26Å; S32-S34 PolarHBondContact O-N 3.31Å; S34-S36 PolarHBondContact O-N 3.28Å
35	T	48.8	Very low	53.6	Low	54 Å²	54	104.3 Å²	104.3	33%	0.331	62%	0.622	S	S	.	*			trans	-65.1	131.4	166	50.7	0	0	0	0	108.2	I33 T40	I33-T35 VanDerWaalsContact C-N 3.33Å; I33-T35 HydrophobicContact CG2-CG2 4.04Å; I33-T35 PolarHBondContact O-N 3.22Å; I33-T35 VanDerWaalsContact O-N 3.08Å; T35-T40 PolarHBondContact OG1-OG1 3.08Å
36	S	50.9	Low	56.5	Low	61 Å²	61	100.5 Å²	100.5	43%	0.427	59%	0.594	S	S	.	*			trans	-66	152	179.3	70	0	0	0	0	110.5	S34 G38 E39 T40	S34-S36 PolarHBondContact O-N 3.28Å; S36-G38 PolarHBondContact O-N 2.94Å; S36-G38 VanDerWaalsContact O-N 3.09Å; S36-E39 WeakPolarHBondContact O-CB 3.33Å; S36-E39 PolarHBondContact O-N 2.79Å; S36-T40 PolarHBondContact O-N 3.06Å; S36-T40 PolarHBondContact O-OG1 3.36Å
37	P	61.1	Low	58.9	Low	106 Å²	106	98.3 Å²	98.3	69%	0.688	57%	0.565	S	S	*	*	H	α-helix	trans	-53.6	-34.3	-178.8	-27.5	34.3	0	0	0	114	I41	P37-I41 WeakPolarHBondContact O-CD1 3.5Å; P37-I41 VanDerWaalsContact O-CG1 3.26Å; P37-I41 WeakPolarHBondContact O-CG1 2.96Å; P37-I41 PolarHBondContact O-N 2.64Å
38	G	57.7	Low	61.9	Low	48 Å²	48	97.3 Å²	97.3	50%	0.495	55%	0.549	S	S	.	.	H	α-helix	trans	-69.9	-33	176.2	0	0	0	0	0	113.8	S36 S42	S36-G38 PolarHBondContact O-N 2.94Å; S36-G38 VanDerWaalsContact O-N 3.09Å; G38-S42 WeakPolarHBondContact O-CB 3.28Å; G38-S42 PolarHBondContact O-N 2.69Å; G38-S42 VanDerWaalsContact O-N 3.07Å
39	E	62.2	Low	64.4	Low	88 Å²	88	92.8 Å²	92.8	41%	0.411	51%	0.511	S	S	.	.	H	α-helix	trans	-72.2	-39	178.1	-161.1	-175.1	160.7	0	0	111.4	S36 S42 K43	S36-E39 WeakPolarHBondContact O-CB 3.33Å; S36-E39 PolarHBondContact O-N 2.79Å; E39-S42 PolarHBondContact O-N 3.32Å; E39-K43 WeakPolarHBondContact O-CG 3.47Å; E39-K43 PolarHBondContact O-N 3.28Å; E39-K43 VanDerWaalsContact O-N 3.08Å; E39-K43 IonicContact OE1-NZ 3.24Å; E39-K43 PolarHBondContact OE1-NZ 3.23Å
40	T	63.7	Low	67.3	Low	57 Å²	57	87.2 Å²	87.2	35%	0.35	48%	0.481	S	S	.	.	H	α-helix	trans	-65.7	-42.2	174.6	-50.8	0	0	0	0	111.8	T35 S36 K43 N44	T35-T40 PolarHBondContact OG1-OG1 3.08Å; S36-T40 PolarHBondContact O-N 3.06Å; S36-T40 PolarHBondContact O-OG1 3.36Å; T40-K43 PolarHBondContact O-N 3.22Å; T40-N44 VanDerWaalsContact O-CG 3.31Å; T40-N44 PolarHBondContact O-N 3.25Å; T40-N44 VanDerWaalsContact O-N 3.08Å
41	I	65.7	Low	70.1	Confident	95 Å²	95	87.4 Å²	87.4	49%	0.487	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-43	176.8	-68.4	165.5	0	0	0	111.3	P37 N44 H45	P37-I41 WeakPolarHBondContact O-CD1 3.5Å; P37-I41 VanDerWaalsContact O-CG1 3.26Å; P37-I41 WeakPolarHBondContact O-CG1 2.96Å; P37-I41 PolarHBondContact O-N 2.64Å; I41-N44 PolarHBondContact O-N 2.69Å; I41-H45 VanDerWaalsContact CG2-CE1 3.49Å; I41-H45 WeakPolarHBondContact CG2-CE1 3.45Å; I41-H45 PolarHBondContact O-N 2.71Å; I41-H45 VanDerWaalsContact O-N 3.14Å
42	S	71.6	Confident	73.2	Confident	70 Å²	70	77.3 Å²	77.3	49%	0.49	43%	0.433	S	S	.	.	H	α-helix	trans	-61.9	-43.7	177.6	-167.8	0	0	0	0	112	G38 E39 N44 H45 E46	G38-S42 WeakPolarHBondContact O-CB 3.28Å; G38-S42 PolarHBondContact O-N 2.69Å; G38-S42 VanDerWaalsContact O-N 3.07Å; E39-S42 PolarHBondContact O-N 3.32Å; S42-N44 VanDerWaalsContact C-N 3.32Å; S42-N44 PolarHBondContact O-N 2.87Å; S42-H45 PolarHBondContact O-N 3.45Å; S42-E46 PolarHBondContact O-N 3.35Å; S42-E46 VanDerWaalsContact O-N 3.07Å
43	K	75.7	Confident	75.9	Confident	105 Å²	105	72.4 Å²	72.4	46%	0.457	40%	0.399	S	S	.	.	H	α-helix	trans	-62.4	-39.1	176.7	-73.9	178.2	-175.8	173.4	0	112	E39 T40 H45 E46 E47	E39-K43 WeakPolarHBondContact O-CG 3.47Å; E39-K43 PolarHBondContact O-N 3.28Å; E39-K43 VanDerWaalsContact O-N 3.08Å; E39-K43 IonicContact OE1-NZ 3.24Å; E39-K43 PolarHBondContact OE1-NZ 3.23Å; T40-K43 PolarHBondContact O-N 3.22Å; K43-H45 PolarHBondContact O-N 2.73Å; K43-E46 PolarHBondContact O-N 2.86Å; K43-E47 PolarHBondContact O-N 2.98Å
44	N	83.3	Confident	78.2	Confident	103 Å²	103	66.1 Å²	66.1	55%	0.551	37%	0.365	S	S	*	.	H	α-helix	trans	-64.4	-38.2	177.2	-72.8	-7.3	0	0	0	112.8	T40 I41 S42 E48	T40-N44 VanDerWaalsContact O-CG 3.31Å; T40-N44 PolarHBondContact O-N 3.25Å; T40-N44 VanDerWaalsContact O-N 3.08Å; I41-N44 PolarHBondContact O-N 2.69Å; S42-N44 VanDerWaalsContact C-N 3.32Å; S42-N44 PolarHBondContact O-N 2.87Å; N44-E48 PolarHBondContact O-N 2.8Å; N44-E48 VanDerWaalsContact O-N 3.16Å
45	H	90.3	Very high	80.8	Confident	79 Å²	79	66.1 Å²	66.1	37%	0.366	35%	0.351	S	S	.	.	H	α-helix	trans	-70.4	-36.2	176	-66.8	155.7	0	0	0	112.8	I41 S42 K43 V49 K258	I41-H45 VanDerWaalsContact CG2-CE1 3.49Å; I41-H45 WeakPolarHBondContact CG2-CE1 3.45Å; I41-H45 PolarHBondContact O-N 2.71Å; I41-H45 VanDerWaalsContact O-N 3.14Å; S42-H45 PolarHBondContact O-N 3.45Å; K43-H45 PolarHBondContact O-N 2.73Å; H45-V49 PolarHBondContact O-N 3.22Å; H45-K258 HydrophobicContact CB-CB 4.21Å; H45-K258 HydrophobicContact CB-CD 4.03Å; H45-K258 HydrophobicContact CB-CG 4.01Å
46	E	94.7	Very high	83.2	Confident	61 Å²	61	63.9 Å²	63.9	29%	0.285	34%	0.338	S	S	.	.	H	α-helix	trans	-64.4	-47.9	175.5	-173.6	180	132.5	0	0	111.2	S42 K43 E48 V49 K50 W259	S42-E46 PolarHBondContact O-N 3.35Å; S42-E46 VanDerWaalsContact O-N 3.07Å; K43-E46 PolarHBondContact O-N 2.86Å; E46-E48 VanDerWaalsContact C-N 3.29Å; E46-E48 PolarHBondContact O-N 3.29Å; E46-V49 PolarHBondContact O-N 3.06Å; E46-V49 VanDerWaalsContact O-N 3.07Å; E46-K50 HydrophobicContact CG-CD 4.47Å; E46-K50 PolarHBondContact O-N 3.45Å; E46-K50 WeakPolarHBondContact OE1-CE 3.47Å; E46-K50 IonicContact OE1-NZ 2.69Å; E46-K50 PolarHBondContact OE1-NZ 2.75Å; E46-W259 HydrophobicContact CG-CB 4.14Å; E46-W259 HydrophobicContact CG-CG 3.91Å
47	E	94.9	Very high	85.4	Confident	61 Å²	61	64 Å²	64	29%	0.285	33%	0.334	S	S	.	.	H	α-helix	trans	-65.2	-31.1	179	-71.3	-54.1	134.7	0	0	113	K43 V49 K50 R51	K43-E47 PolarHBondContact O-N 2.98Å; E47-V49 VanDerWaalsContact C-N 3.35Å; E47-K50 PolarHBondContact O-N 2.9Å; E47-K50 VanDerWaalsContact OE1-CD 3.27Å; E47-K50 WeakPolarHBondContact OE1-CD 3.33Å; E47-K50 IonicContact OE1-NZ 3.15Å; E47-K50 PolarHBondContact OE1-NZ 3.36Å; E47-R51 WeakPolarHBondContact O-CG 3.27Å; E47-R51 PolarHBondContact O-N 3.12Å
48	E	94.8	Very high	87.2	Confident	83 Å²	83	58.9 Å²	58.9	39%	0.388	30%	0.301	S	S	.	.	H	α-helix	trans	-58.6	-47.7	169.4	-175	-172.2	-161.3	0	0	111.3	N44 E46 R51 V52 K258	N44-E48 PolarHBondContact O-N 2.8Å; N44-E48 VanDerWaalsContact O-N 3.16Å; E46-E48 VanDerWaalsContact C-N 3.29Å; E46-E48 PolarHBondContact O-N 3.29Å; E48-R51 PolarHBondContact O-N 3.48Å; E48-V52 WeakPolarHBondContact O-CG2 3.41Å; E48-V52 PolarHBondContact O-N 3.44Å; E48-K258 IonicContact OE2-NZ 3.35Å; E48-K258 PolarHBondContact OE2-NZ 3.28Å
49	V	97.6	Very high	89.2	Confident	6 Å²	6	56.6 Å²	56.6	4%	0.036	28%	0.278	C	S	.	.	H	α-helix	trans	-66	-41.1	178.1	175.3	0	0	0	0	111.6	H45 E46 E47 R51 V52 W53 A240 I242 K258 W259	H45-V49 PolarHBondContact O-N 3.22Å; E46-V49 PolarHBondContact O-N 3.06Å; E46-V49 VanDerWaalsContact O-N 3.07Å; E47-V49 VanDerWaalsContact C-N 3.35Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 3.39Å; V49-V52 PolarHBondContact O-N 3.41Å; V49-V52 VanDerWaalsContact O-N 3.16Å; V49-W53 WeakPolarHBondContact O-CB 3.47Å; V49-W53 PolarHBondContact O-N 3.07Å; V49-A240 HydrophobicContact CG1-CB 3.91Å; V49-A240 HydrophobicContact CG2-CB 4.39Å; V49-I242 HydrophobicContact CG1-CG1 3.9Å; V49-K258 HydrophobicContact CG2-CB 3.64Å; V49-K258 HydrophobicContact CG2-CD 4.06Å; V49-W259 HydrophobicContact CB-CB 4.03Å; V49-W259 HydrophobicContact CG1-CB 3.79Å; V49-W259 HydrophobicContact CG1-CD2 4.49Å; V49-W259 HydrophobicContact CG1-CE3 3.81Å
50	K	97.8	Very high	91	Very high	28 Å²	28	52.4 Å²	52.4	12%	0.122	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-41	175.9	-74	173.2	179.1	165.9	0	112.5	E46 E47 V52 W53 R54 W259 D270	E46-K50 HydrophobicContact CG-CD 4.47Å; E46-K50 PolarHBondContact O-N 3.45Å; E46-K50 WeakPolarHBondContact OE1-CE 3.47Å; E46-K50 IonicContact OE1-NZ 2.69Å; E46-K50 PolarHBondContact OE1-NZ 2.75Å; E47-K50 PolarHBondContact O-N 2.9Å; E47-K50 VanDerWaalsContact OE1-CD 3.27Å; E47-K50 WeakPolarHBondContact OE1-CD 3.33Å; E47-K50 IonicContact OE1-NZ 3.15Å; E47-K50 PolarHBondContact OE1-NZ 3.36Å; K50-V52 VanDerWaalsContact C-N 3.34Å; K50-V52 PolarHBondContact O-N 3.25Å; K50-W53 WeakPolarHBondContact O-CB 3.19Å; K50-W53 PolarHBondContact O-N 2.89Å; K50-R54 WeakPolarHBondContact O-CG 3.39Å; K50-R54 PolarHBondContact O-N 3.5Å; K50-W259 HydrophobicContact CD-CZ2 4.38Å; K50-W259 HydrophobicContact CG-CD2 4.08Å; K50-W259 HydrophobicContact CG-CE3 4.06Å; K50-W259 HydrophobicContact CG-CH2 3.79Å; K50-W259 HydrophobicContact CG-CZ2 3.83Å; K50-W259 HydrophobicContact CG-CZ3 3.92Å; K50-D270 WeakPolarHBondContact CD-OD1 3.32Å
51	R	96.8	Very high	92.6	Very high	116 Å²	116	49.7 Å²	49.7	44%	0.438	24%	0.241	S	C	.	.	H	α-helix	trans	-60.7	-42.6	173.6	-74.5	-170.3	-58.5	-88.4	1.9	112.3	E47 E48 V49 K55	E47-R51 WeakPolarHBondContact O-CG 3.27Å; E47-R51 PolarHBondContact O-N 3.12Å; E48-R51 PolarHBondContact O-N 3.48Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 3.39Å; R51-K55 PolarHBondContact O-N 2.98Å
52	V	97.7	Very high	94.2	Very high	34 Å²	34	45.7 Å²	45.7	21%	0.206	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-43.4	175.5	177.9	0	0	0	0	110.6	E48 V49 K50 K55 A56 T221 V223 D239 A240	E48-V52 WeakPolarHBondContact O-CG2 3.41Å; E48-V52 PolarHBondContact O-N 3.44Å; V49-V52 PolarHBondContact O-N 3.41Å; V49-V52 VanDerWaalsContact O-N 3.16Å; K50-V52 VanDerWaalsContact C-N 3.34Å; K50-V52 PolarHBondContact O-N 3.25Å; V52-K55 CarbonylContact O-C 3.58Å; V52-K55 PolarHBondContact O-N 2.96Å; V52-A56 PolarHBondContact O-N 3.38Å; V52-A56 VanDerWaalsContact O-N 3.14Å; V52-T221 HydrophobicContact CG1-CG2 3.52Å; V52-T221 WeakPolarHBondContact O-CG2 3.47Å; V52-V223 HydrophobicContact CG1-CG2 3.97Å; V52-D239 HydrophobicContact CG1-CB 3.89Å; V52-A240 HydrophobicContact CB-CB 4.09Å; V52-A240 HydrophobicContact CG1-CB 3.72Å
53	W	98.2	Very high	95.5	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-49.1	177.5	169.9	-113.1	0	0	0	113.1	V49 K50 K55 A56 V59 F61 L138 L142 V223 V225 I242 W259 L267 L271	V49-W53 WeakPolarHBondContact O-CB 3.47Å; V49-W53 PolarHBondContact O-N 3.07Å; K50-W53 WeakPolarHBondContact O-CB 3.19Å; K50-W53 PolarHBondContact O-N 2.89Å; W53-K55 PolarHBondContact O-N 3.27Å; W53-A56 WeakPolarHBondContact O-CB 3.34Å; W53-A56 PolarHBondContact O-N 2.74Å; W53-V59 HydrophobicContact CE3-CG2 4.29Å; W53-V59 HydrophobicContact CH2-CG1 4.33Å; W53-V59 HydrophobicContact CH2-CG2 4.22Å; W53-V59 HydrophobicContact CZ3-CB 4.35Å; W53-V59 HydrophobicContact CZ3-CG1 3.76Å; W53-V59 HydrophobicContact CZ3-CG2 3.58Å; W53-F61 HydrophobicContact CH2-CZ 4.47Å; W53-L138 HydrophobicContact CH2-CD1 4.14Å; W53-L138 HydrophobicContact CZ2-CD1 3.8Å; W53-L142 HydrophobicContact CH2-CD1 4.13Å; W53-L142 HydrophobicContact CH2-CD2 4.02Å; W53-L142 HydrophobicContact CZ2-CD2 4.3Å; W53-V223 HydrophobicContact CE3-CB 4.29Å; W53-V223 HydrophobicContact CE3-CG1 3.98Å; W53-V223 HydrophobicContact CE3-CG2 4.42Å; W53-V223 HydrophobicContact CZ3-CG1 4.38Å; W53-V225 HydrophobicContact CZ3-CG2 4.21Å; W53-I242 HydrophobicContact CB-CD1 4.28Å; W53-I242 HydrophobicContact CD2-CD1 3.86Å; W53-I242 HydrophobicContact CE3-CD1 3.55Å; W53-I242 HydrophobicContact CG-CD1 4.19Å; W53-I242 HydrophobicContact CZ3-CD1 4.14Å; W53-W259 HydrophobicContact CB-CZ3 3.85Å; W53-W259 AromaticContact CD1-CH2 3.77Å; W53-W259 AromaticContact CD1-CZ3 3.66Å; W53-W259 HydrophobicContact CD2-CZ3 4.31Å; W53-W259 HydrophobicContact CG-CH2 4.24Å; W53-W259 AromaticContact CG-CZ3 3.66Å; W53-W259 HydrophobicContact CG-CZ3 3.66Å; W53-L267 HydrophobicContact CH2-CB 4.43Å; W53-L267 HydrophobicContact CH2-CD1 4.4Å; W53-L267 HydrophobicContact CZ2-CB 3.71Å; W53-L267 HydrophobicContact CZ2-CD1 4.44Å; W53-L267 PolarHBondContact NE1-O 2.93Å; W53-L267 VanDerWaalsContact NE1-O 3.07Å; W53-L271 HydrophobicContact CD2-CD2 4.22Å; W53-L271 HydrophobicContact CG-CD2 4.41Å; W53-L271 HydrophobicContact CZ2-CD1 3.82Å; W53-L271 HydrophobicContact CZ2-CD2 3.9Å; W53-L271 HydrophobicContact CZ2-CG 3.85Å
54	R	97.6	Very high	96.5	Very high	22 Å²	22	38.5 Å²	38.5	8%	0.083	18%	0.182	C	C	.	.	H	α-helix	trans	-62.5	-27.2	178.6	-66.7	173.2	-159.3	159	2.4	112.8	K50 R145 D270	K50-R54 WeakPolarHBondContact O-CG 3.39Å; K50-R54 PolarHBondContact O-N 3.5Å; R54-R145 PolarHBondContact O-NH2 2.87Å; R54-D270 IonicContact CZ-OD1 3.61Å; R54-D270 IonicContact CZ-OD2 3.21Å; R54-D270 PolarHBondContact NE-O 2.96Å; R54-D270 IonicContact NE-OD1 3.01Å; R54-D270 IonicContact NE-OD2 3.77Å; R54-D270 PolarHBondContact NE-OD2 3.04Å; R54-D270 IonicContact NH2-OD1 2.65Å; R54-D270 PolarHBondContact NH2-OD1 2.63Å; R54-D270 IonicContact NH2-OD2 2.79Å; R54-D270 PolarHBondContact NH2-OD2 2.7Å
55	K	96.8	Very high	97.1	Very high	110 Å²	110	33.8 Å²	33.8	48%	0.478	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	12	-178.7	-69.8	172.6	171.7	145.7	0	113.9	R51 V52 W53 D57 T221 E275	R51-K55 PolarHBondContact O-N 2.98Å; V52-K55 CarbonylContact O-C 3.58Å; V52-K55 PolarHBondContact O-N 2.96Å; W53-K55 PolarHBondContact O-N 3.27Å; K55-D57 PolarHBondContact O-N 3.13Å; K55-T221 WeakPolarHBondContact O-CB 3.48Å; K55-T221 PolarHBondContact O-OG1 2.97Å; K55-E275 WeakPolarHBondContact CE-OE1 3.4Å; K55-E275 WeakPolarHBondContact CE-OE2 3.4Å; K55-E275 IonicContact NZ-OE1 2.83Å; K55-E275 PolarHBondContact NZ-OE1 3.33Å; K55-E275 IonicContact NZ-OE2 2.72Å; K55-E275 PolarHBondContact NZ-OE2 2.87Å
56	A	98.2	Very high	97.5	Very high	7 Å²	7	30 Å²	30	6%	0.058	14%	0.14	C	C	.	.			trans	-66.7	122.8	-176.7	0	0	0	0	0	112.5	V52 W53 V59 T147 T221 V223	V52-A56 PolarHBondContact O-N 3.38Å; V52-A56 VanDerWaalsContact O-N 3.14Å; W53-A56 WeakPolarHBondContact O-CB 3.34Å; W53-A56 PolarHBondContact O-N 2.74Å; A56-V59 HydrophobicContact CB-CG2 3.96Å; A56-T147 HydrophobicContact CB-CG2 4.49Å; A56-T147 WeakPolarHBondContact O-CG2 3.22Å; A56-T147 PolarHBondContact O-OG1 3.11Å; A56-T147 VanDerWaalsContact O-OG1 3.13Å; A56-T221 HydrophobicContact CB-CG2 4.5Å; A56-V223 HydrophobicContact CB-CG2 3.9Å
57	D	98.2	Very high	97.7	Very high	63 Å²	63	27.1 Å²	27.1	34%	0.337	13%	0.126	S	C	.	.	S	Bend	trans	-75.1	-36.1	169.8	-56.3	-44.2	0	0	0	110.3	K55 H148 Y219 K220 T221	K55-D57 PolarHBondContact O-N 3.13Å; D57-H148 PolarHBondContact O-N 3.05Å; D57-Y219 HydrophobicContact CB-CD1 3.71Å; D57-Y219 HydrophobicContact CB-CG 4.29Å; D57-K220 WeakPolarHBondContact OD2-CA 3.23Å; D57-K220 WeakPolarHBondContact OD2-CB 3.44Å; D57-K220 PolarHBondContact OD2-N 2.73Å; D57-T221 PolarHBondContact N-O 3.44Å; D57-T221 PolarHBondContact OD2-N 3.27Å
58	A	98.8	Very high	97.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	149.1	175.6	0	0	0	0	0	112.4	H148 Y150 Y219 T221 V222 V223	A58-H148 CarbonylContact C-O 3.59Å; A58-H148 WeakPolarHBondContact CA-O 3.3Å; A58-H148 HydrophobicContact CB-CB 4.21Å; A58-Y150 HydrophobicContact CB-CD2 4.19Å; A58-Y150 HydrophobicContact CB-CE2 3.92Å; A58-Y219 HydrophobicContact CB-CD1 4.33Å; A58-Y219 HydrophobicContact CB-CD2 3.75Å; A58-Y219 HydrophobicContact CB-CE1 4.34Å; A58-Y219 HydrophobicContact CB-CE2 3.72Å; A58-Y219 HydrophobicContact CB-CG 4.09Å; A58-T221 PolarHBondContact N-O 3.34Å; A58-V222 HydrophobicContact CB-CG2 4.3Å; A58-V222 WeakPolarHBondContact O-CA 3.4Å; A58-V223 PolarHBondContact O-N 3.31Å; A58-V223 VanDerWaalsContact O-N 3.07Å
59	V	98.9	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.5	174.2	-177.9	0	0	0	0	109	W53 A56 F61 L142 T147 H148 V149 Y150 V223 V225	W53-V59 HydrophobicContact CE3-CG2 4.29Å; W53-V59 HydrophobicContact CH2-CG1 4.33Å; W53-V59 HydrophobicContact CH2-CG2 4.22Å; W53-V59 HydrophobicContact CZ3-CB 4.35Å; W53-V59 HydrophobicContact CZ3-CG1 3.76Å; W53-V59 HydrophobicContact CZ3-CG2 3.58Å; A56-V59 HydrophobicContact CB-CG2 3.96Å; V59-F61 HydrophobicContact CB-CE2 4.02Å; V59-F61 HydrophobicContact CG1-CD2 3.81Å; V59-F61 HydrophobicContact CG1-CE1 4.32Å; V59-F61 HydrophobicContact CG1-CE2 3.32Å; V59-F61 HydrophobicContact CG1-CG 4.49Å; V59-F61 HydrophobicContact CG1-CZ 3.61Å; V59-L142 HydrophobicContact CB-CD1 4.33Å; V59-L142 HydrophobicContact CG2-CD1 4.27Å; V59-L142 HydrophobicContact CG2-CD2 4.01Å; V59-T147 HydrophobicContact CG2-CG2 3.83Å; V59-H148 PolarHBondContact N-O 2.9Å; V59-V149 WeakPolarHBondContact O-CA 3.46Å; V59-Y150 PolarHBondContact O-N 2.94Å; V59-V223 WeakPolarHBondContact CA-O 3.26Å; V59-V225 HydrophobicContact CG1-CG2 3.89Å
60	C	98.9	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.1	172.2	-62	0	0	0	0	108.7	V152 V223 M224 V225	C60-V152 HydrophobicContact CB-CG2 3.85Å; C60-V223 PolarHBondContact N-O 3.25Å; C60-M224 HydrophobicContact CB-SD 3.65Å; C60-M224 WeakPolarHBondContact O-CA 3.37Å; C60-M224 VanDerWaalsContact O-SD 3.39Å; C60-V225 PolarHBondContact O-N 3.4Å
61	F	98.9	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	138.3	173.3	-70.7	-88	0	0	0	110.6	W53 V59 V67 I135 L138 L142 V149 Y150 L151 V152 V225 F264	W53-F61 HydrophobicContact CH2-CZ 4.47Å; V59-F61 HydrophobicContact CB-CE2 4.02Å; V59-F61 HydrophobicContact CG1-CD2 3.81Å; V59-F61 HydrophobicContact CG1-CE1 4.32Å; V59-F61 HydrophobicContact CG1-CE2 3.32Å; V59-F61 HydrophobicContact CG1-CG 4.49Å; V59-F61 HydrophobicContact CG1-CZ 3.61Å; F61-V67 HydrophobicContact CB-CG2 3.61Å; F61-V67 HydrophobicContact CD1-CG2 4.3Å; F61-V67 HydrophobicContact CG-CG2 4.09Å; F61-I135 HydrophobicContact CD1-CD1 4.25Å; F61-I135 HydrophobicContact CE1-CD1 4.02Å; F61-I135 HydrophobicContact CZ-CD1 4.35Å; F61-L138 HydrophobicContact CE1-CD2 4Å; F61-L138 HydrophobicContact CZ-CD2 3.86Å; F61-L138 HydrophobicContact CZ-CG 4.35Å; F61-L142 HydrophobicContact CE2-CD1 3.76Å; F61-L142 HydrophobicContact CZ-CD1 3.87Å; F61-V149 HydrophobicContact CD2-CG1 3.75Å; F61-V149 HydrophobicContact CE2-CG1 3.87Å; F61-Y150 PolarHBondContact N-O 3.29Å; F61-L151 HydrophobicContact CB-CD2 4.22Å; F61-V152 PolarHBondContact O-N 2.83Å; F61-V225 WeakPolarHBondContact CA-O 3.42Å; F61-V225 HydrophobicContact CD1-CB 3.62Å; F61-V225 HydrophobicContact CD1-CG1 3.92Å; F61-V225 HydrophobicContact CD1-CG2 4.17Å; F61-V225 HydrophobicContact CE1-CB 3.76Å; F61-V225 HydrophobicContact CE1-CG1 3.87Å; F61-V225 HydrophobicContact CE1-CG2 3.86Å; F61-V225 HydrophobicContact CG-CB 4.45Å; F61-V225 HydrophobicContact CZ-CG2 4.38Å; F61-F264 HydrophobicContact CD1-CE1 4.5Å; F61-F264 HydrophobicContact CE1-CE1 4.1Å
62	D	98.7	Very high	97.3	Very high	11 Å²	11	22.4 Å²	22.4	6%	0.059	11%	0.114	C	C	.	.			trans	-63.9	157.1	155.7	-163.9	17.1	0	0	0	111	T66 V67 K206 M224 V225 D231	D62-T66 HydrophobicContact CB-CG2 4.23Å; D62-T66 WeakPolarHBondContact O-CB 3.38Å; D62-T66 WeakPolarHBondContact O-CG2 3.4Å; D62-V67 WeakPolarHBondContact O-CG2 3.37Å; D62-V67 PolarHBondContact O-N 2.94Å; D62-K206 IonicContact OD1-NZ 3.61Å; D62-K206 PolarHBondContact OD1-NZ 3.27Å; D62-K206 IonicContact OD2-NZ 2.82Å; D62-K206 PolarHBondContact OD2-NZ 2.85Å; D62-M224 HydrophobicContact CB-CE 4.25Å; D62-V225 PolarHBondContact N-O 3.14Å; D62-D231 WeakPolarHBondContact CB-OD1 3.39Å
63	V	98.4	Very high	97.1	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.018	11%	0.105	C	C	.	.	I	π-helix	trans	-101.5	-66.1	-178.8	-177.1	0	0	0	0	111.6	T66 V67 C68 L151 I160	V63-T66 PolarHBondContact O-N 3.44Å; V63-V67 PolarHBondContact O-N 3.3Å; V63-C68 PolarHBondContact O-N 3.21Å; V63-L151 HydrophobicContact CG2-CB 3.84Å; V63-L151 HydrophobicContact CG2-CD1 4.32Å; V63-L151 HydrophobicContact CG2-CD2 4.24Å; V63-L151 HydrophobicContact CG2-CG 4.35Å; V63-I160 HydrophobicContact CB-CG1 4.45Å; V63-I160 HydrophobicContact CG1-CG1 4.16Å; V63-I160 HydrophobicContact CG2-CD1 4.16Å; V63-I160 HydrophobicContact CG2-CG1 4.22Å; V63-I160 HydrophobicContact CG2-CG2 4Å
64	D	96.8	Very high	96.9	Very high	21 Å²	21	24.1 Å²	24.1	11%	0.112	12%	0.122	C	C	.	.	I	π-helix	trans	-65	136.9	-176.4	-59.4	-53.5	0	0	0	109.5	T66 E71 G72	D64-T66 PolarHBondContact O-N 2.92Å; D64-E71 WeakPolarHBondContact CB-OE2 3.35Å; D64-G72 PolarHBondContact OD1-N 2.77Å
65	S	96.8	Very high	96.7	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.028	14%	0.135	C	C	.	.	I	π-helix	trans	57.5	3.1	-175.5	-65.6	0	0	0	0	116.5	C68 D70 E71 D227 N247	S65-C68 CarbonylContact C-O 3.6Å; S65-C68 VanDerWaalsContact CA-O 3.32Å; S65-C68 WeakPolarHBondContact CA-O 3.09Å; S65-C68 PolarHBondContact N-O 3.11Å; S65-D70 PolarHBondContact N-O 3.49Å; S65-E71 PolarHBondContact OG-OE1 2.97Å; S65-D227 WeakPolarHBondContact CB-OD1 3.47Å; S65-D227 WeakPolarHBondContact CB-OD2 3.37Å; S65-N247 WeakPolarHBondContact O-CB 3.27Å; S65-N247 PolarHBondContact O-ND2 3.1Å
66	T	98.4	Very high	96.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	I	π-helix	trans	-122.5	-79.3	-179.9	-65.3	0	0	0	0	111.9	D62 V63 D64 C68 T132 G226 D227 F244 F264	D62-T66 HydrophobicContact CB-CG2 4.23Å; D62-T66 WeakPolarHBondContact O-CB 3.38Å; D62-T66 WeakPolarHBondContact O-CG2 3.4Å; V63-T66 PolarHBondContact O-N 3.44Å; D64-T66 PolarHBondContact O-N 2.92Å; T66-C68 VanDerWaalsContact C-N 3.31Å; T66-C68 PolarHBondContact N-O 3.44Å; T66-T132 VanDerWaalsContact O-CB 3.29Å; T66-T132 WeakPolarHBondContact O-CB 3.34Å; T66-T132 PolarHBondContact O-OG1 2.94Å; T66-G226 WeakPolarHBondContact OG1-CA 3.21Å; T66-D227 PolarHBondContact OG1-N 2.84Å; T66-D227 VanDerWaalsContact OG1-N 3.17Å; T66-D227 PolarHBondContact OG1-OD1 2.88Å; T66-F244 HydrophobicContact CG2-CB 4.36Å; T66-F244 HydrophobicContact CG2-CD1 4.23Å; T66-F244 HydrophobicContact CG2-CG 4.42Å; T66-F264 HydrophobicContact CG2-CZ 4.05Å; T66-F264 WeakPolarHBondContact O-CE2 3.45Å; T66-F264 WeakPolarHBondContact O-CZ 3.46Å
67	V	98.6	Very high	96.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-69.5	-35.1	175.6	166.6	0	0	0	0	110.8	F61 D62 V63 L131 T132 I135 L151 V163 L167	F61-V67 HydrophobicContact CB-CG2 3.61Å; F61-V67 HydrophobicContact CD1-CG2 4.3Å; F61-V67 HydrophobicContact CG-CG2 4.09Å; D62-V67 WeakPolarHBondContact O-CG2 3.37Å; D62-V67 PolarHBondContact O-N 2.94Å; V63-V67 PolarHBondContact O-N 3.3Å; V67-L131 HydrophobicContact CG1-CD2 4.27Å; V67-T132 PolarHBondContact O-N 3.33Å; V67-T132 PolarHBondContact O-OG1 3.15Å; V67-I135 HydrophobicContact CB-CG1 4.35Å; V67-I135 HydrophobicContact CG1-CG1 4.09Å; V67-I135 HydrophobicContact CG2-CD1 4.13Å; V67-I135 HydrophobicContact CG2-CG1 4.06Å; V67-L151 HydrophobicContact CG2-CD2 4.05Å; V67-V163 HydrophobicContact CG1-CG1 3.5Å; V67-L167 HydrophobicContact CG1-CD1 3.59Å
68	C	97.9	Very high	96.5	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.027	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-109.5	151.8	174.1	-59	0	0	0	0	110.6	V63 S65 T66 D70 K130 V163 N247	V63-C68 PolarHBondContact O-N 3.21Å; S65-C68 CarbonylContact C-O 3.6Å; S65-C68 VanDerWaalsContact CA-O 3.32Å; S65-C68 WeakPolarHBondContact CA-O 3.09Å; S65-C68 PolarHBondContact N-O 3.11Å; T66-C68 VanDerWaalsContact C-N 3.31Å; T66-C68 PolarHBondContact N-O 3.44Å; C68-D70 VanDerWaalsContact C-N 3.33Å; C68-D70 WeakPolarHBondContact CB-OD1 3.29Å; C68-K130 CarbonylContact C-O 3.59Å; C68-K130 WeakPolarHBondContact CA-O 3.36Å; C68-V163 VanDerWaalsContact SG-CG2 3.52Å; C68-N247 PolarHBondContact O-ND2 3.42Å
69	Q	97.1	Very high	96.4	Very high	94 Å²	94	25 Å²	25	44%	0.439	13%	0.133	S	C	.	.	S	Bend	trans	-78	-24.1	177.3	-58.6	178.7	21.2	0	0	112	K130 L131 N247	Q69-K130 HydrophobicContact CB-CB 4.21Å; Q69-K130 HydrophobicContact CG-CB 4.48Å; Q69-K130 WeakPolarHBondContact CG-O 3.38Å; Q69-K130 PolarHBondContact N-O 3.01Å; Q69-L131 PolarHBondContact NE2-O 3.47Å; Q69-N247 WeakPolarHBondContact CG-OD1 3.13Å
70	D	92.5	Very high	96.3	Very high	27 Å²	27	26.5 Å²	26.5	14%	0.144	14%	0.141	C	C	.	.	S	Bend	trans	-101.2	165.7	-177.1	44.4	1.6	0	0	0	112.8	S65 C68 E75	S65-D70 PolarHBondContact N-O 3.49Å; C68-D70 VanDerWaalsContact C-N 3.33Å; C68-D70 WeakPolarHBondContact CB-OD1 3.29Å; D70-E75 HydrophobicContact CB-CG 3.87Å
71	E	92.8	Very high	96.2	Very high	54 Å²	54	29.8 Å²	29.8	25%	0.252	18%	0.176	S	C	.	.			trans	-102.9	109.4	173.8	-69.3	-84.7	171.9	0	0	107.8	D64 S65 I73 D74 E75 R250	D64-E71 WeakPolarHBondContact CB-OE2 3.35Å; S65-E71 PolarHBondContact OG-OE1 2.97Å; E71-I73 PolarHBondContact O-N 3.17Å; E71-I73 VanDerWaalsContact O-N 3.12Å; E71-D74 HydrophobicContact CB-CB 4.06Å; E71-D74 PolarHBondContact O-N 2.91Å; E71-E75 PolarHBondContact O-N 3.42Å; E71-E75 VanDerWaalsContact O-N 3.13Å; E71-R250 IonicContact OE1-NH2 3.48Å
72	G	92.9	Very high	96.1	Very high	15 Å²	15	31.8 Å²	31.8	16%	0.155	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-32.2	-166.6	0	0	0	0	0	114.3	D64 L76 L159	D64-G72 PolarHBondContact OD1-N 2.77Å; G72-L76 PolarHBondContact O-N 3.08Å; G72-L76 VanDerWaalsContact O-N 3.11Å; G72-L159 WeakPolarHBondContact O-CD1 3.43Å
73	I	93.1	Very high	96	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.015	20%	0.198	C	C	.	.	H	α-helix	trans	-71.6	-33	176.2	-166.8	159.9	0	0	0	113.3	E71 L76 A77 L106 R109 M113 F156	E71-I73 PolarHBondContact O-N 3.17Å; E71-I73 VanDerWaalsContact O-N 3.12Å; I73-L76 PolarHBondContact O-N 3.48Å; I73-A77 WeakPolarHBondContact O-CB 3.39Å; I73-A77 PolarHBondContact O-N 2.89Å; I73-L106 HydrophobicContact CD1-CD1 4.42Å; I73-R109 HydrophobicContact CD1-CB 4.23Å; I73-M113 HydrophobicContact CD1-SD 3.84Å; I73-M113 HydrophobicContact CG1-CE 3.94Å; I73-M113 HydrophobicContact CG1-SD 3.62Å; I73-F156 HydrophobicContact CD1-CE2 3.64Å; I73-F156 HydrophobicContact CD1-CZ 4.28Å; I73-F156 HydrophobicContact CG1-CE2 4.25Å
74	D	93.8	Very high	95.8	Very high	68 Å²	68	39.7 Å²	39.7	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-75.6	-37.9	-178	-70.8	-14.9	0	0	0	109.2	E71 A77 A78	E71-D74 HydrophobicContact CB-CB 4.06Å; E71-D74 PolarHBondContact O-N 2.91Å; D74-A77 PolarHBondContact O-N 3.09Å; D74-A78 WeakPolarHBondContact O-CB 3.38Å; D74-A78 PolarHBondContact O-N 3.07Å
75	E	95.1	Very high	95.6	Very high	73 Å²	73	40.6 Å²	40.6	34%	0.341	24%	0.242	S	C	.	.	H	α-helix	trans	-62.6	-43.3	170.8	-64.9	-69.4	144.2	0	0	111.5	D70 E71 A77 A78 Y79 F123 K130	D70-E75 HydrophobicContact CB-CG 3.87Å; E71-E75 PolarHBondContact O-N 3.42Å; E71-E75 VanDerWaalsContact O-N 3.13Å; E75-A77 VanDerWaalsContact C-N 3.34Å; E75-A77 PolarHBondContact O-N 3.08Å; E75-A78 PolarHBondContact O-N 3.32Å; E75-Y79 PolarHBondContact O-N 3.46Å; E75-F123 HydrophobicContact CB-CE2 4.26Å; E75-F123 HydrophobicContact CB-CZ 3.71Å; E75-K130 IonicContact OE1-NZ 3.68Å
76	L	96.2	Very high	95.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-40	174.1	178.6	62.3	0	0	0	111.4	G72 I73 Y79 L80 M113 L120 F123 L159	G72-L76 PolarHBondContact O-N 3.08Å; G72-L76 VanDerWaalsContact O-N 3.11Å; I73-L76 PolarHBondContact O-N 3.48Å; L76-Y79 HydrophobicContact CD1-CD1 4.36Å; L76-Y79 PolarHBondContact O-N 3.16Å; L76-L80 HydrophobicContact CD1-CD1 4.25Å; L76-L80 HydrophobicContact CD1-CG 4.34Å; L76-L80 HydrophobicContact CG-CD1 4.11Å; L76-L80 VanDerWaalsContact O-CG 3.25Å; L76-L80 WeakPolarHBondContact O-CG 3.08Å; L76-L80 PolarHBondContact O-N 2.85Å; L76-M113 HydrophobicContact CB-CE 3.79Å; L76-M113 HydrophobicContact CD2-CE 3.56Å; L76-M113 HydrophobicContact CG-CE 3.45Å; L76-M113 VanDerWaalsContact CG-CE 3.45Å; L76-L120 HydrophobicContact CD1-CD1 4.41Å; L76-L120 HydrophobicContact CD2-CD1 3.99Å; L76-F123 HydrophobicContact CB-CD1 4.29Å; L76-F123 HydrophobicContact CB-CE1 4.03Å; L76-F123 HydrophobicContact CB-CZ 4.23Å; L76-F123 HydrophobicContact CD1-CB 3.92Å; L76-F123 HydrophobicContact CD1-CD1 3.76Å; L76-F123 HydrophobicContact CD1-CD2 4.28Å; L76-F123 HydrophobicContact CD1-CE1 4.37Å; L76-F123 HydrophobicContact CD1-CG 3.7Å; L76-L159 HydrophobicContact CD2-CD1 4.45Å
77	A	96.5	Very high	95	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-39.6	177.3	0	0	0	0	0	112.1	I73 D74 E75 L80 G81 V82 G83 V86 M113	I73-A77 WeakPolarHBondContact O-CB 3.39Å; I73-A77 PolarHBondContact O-N 2.89Å; D74-A77 PolarHBondContact O-N 3.09Å; E75-A77 VanDerWaalsContact C-N 3.34Å; E75-A77 PolarHBondContact O-N 3.08Å; A77-L80 PolarHBondContact O-N 3.04Å; A77-G81 PolarHBondContact O-N 3.46Å; A77-V82 HydrophobicContact CB-CG2 4.33Å; A77-V82 CarbonylContact O-C 3.48Å; A77-V82 PolarHBondContact O-N 2.92Å; A77-G83 PolarHBondContact O-N 3Å; A77-G83 VanDerWaalsContact O-N 3.14Å; A77-V86 HydrophobicContact CB-CB 3.91Å; A77-V86 HydrophobicContact CB-CG1 4.13Å; A77-V86 HydrophobicContact CB-CG2 3.66Å; A77-M113 HydrophobicContact CB-CE 4Å; A77-M113 HydrophobicContact CB-CG 4.26Å; A77-M113 HydrophobicContact CB-SD 4.1Å
78	A	95.8	Very high	94.5	Very high	61 Å²	61	46.1 Å²	46.1	50%	0.504	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-45.1	174.1	0	0	0	0	0	111.3	D74 E75 L80 G81	D74-A78 WeakPolarHBondContact O-CB 3.38Å; D74-A78 PolarHBondContact O-N 3.07Å; E75-A78 PolarHBondContact O-N 3.32Å; A78-L80 VanDerWaalsContact C-N 3.29Å; A78-L80 PolarHBondContact O-N 3.29Å; A78-G81 PolarHBondContact O-N 3.45Å
79	Y	96.4	Very high	94	Very high	86 Å²	86	47.7 Å²	47.7	34%	0.337	29%	0.286	S	S	.	.	H	α-helix	trans	-58	-39.9	175	173.4	-104.4	0	0	0	112.8	E75 L76 G81 Q119 Q122 F123 I126	E75-Y79 PolarHBondContact O-N 3.46Å; L76-Y79 HydrophobicContact CD1-CD1 4.36Å; L76-Y79 PolarHBondContact O-N 3.16Å; Y79-G81 PolarHBondContact O-N 3.43Å; Y79-Q119 HydrophobicContact CE1-CB 4.48Å; Y79-Q122 WeakPolarHBondContact OH-CB 3.42Å; Y79-Q122 PolarHBondContact OH-OE1 3Å; Y79-F123 VanDerWaalsContact CB-CD2 3.5Å; Y79-F123 HydrophobicContact CD1-CB 3.82Å; Y79-F123 AromaticContact CD1-CD2 3.89Å; Y79-F123 HydrophobicContact CD1-CD2 3.89Å; Y79-F123 HydrophobicContact CD1-CG 4.22Å; Y79-F123 HydrophobicContact CD2-CD2 4.07Å; Y79-F123 HydrophobicContact CE1-CB 3.91Å; Y79-F123 HydrophobicContact CG-CB 4.29Å; Y79-F123 AromaticContact CG-CD2 3.54Å; Y79-F123 HydrophobicContact CG-CD2 3.54Å; Y79-F123 HydrophobicContact CG-CE2 4.35Å; Y79-F123 HydrophobicContact CG-CG 4.32Å; Y79-I126 HydrophobicContact CD2-CD1 4Å; Y79-I126 HydrophobicContact CE2-CD1 3.51Å
80	L	97	Very high	93.4	Very high	32 Å²	32	44.6 Å²	44.6	17%	0.168	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-3.6	177.1	-65.5	171.6	0	0	0	113.7	L76 A77 A78 V82 M113 P115 Q119	L76-L80 HydrophobicContact CD1-CD1 4.25Å; L76-L80 HydrophobicContact CD1-CG 4.34Å; L76-L80 HydrophobicContact CG-CD1 4.11Å; L76-L80 VanDerWaalsContact O-CG 3.25Å; L76-L80 WeakPolarHBondContact O-CG 3.08Å; L76-L80 PolarHBondContact O-N 2.85Å; A77-L80 PolarHBondContact O-N 3.04Å; A78-L80 VanDerWaalsContact C-N 3.29Å; A78-L80 PolarHBondContact O-N 3.29Å; L80-V82 VanDerWaalsContact C-N 3.31Å; L80-V82 HydrophobicContact CB-CG2 3.94Å; L80-V82 PolarHBondContact O-N 3.07Å; L80-M113 HydrophobicContact CD1-CB 3.98Å; L80-M113 HydrophobicContact CD1-CE 4.03Å; L80-P115 HydrophobicContact CD1-CB 4.02Å; L80-Q119 HydrophobicContact CD2-CB 4.02Å; L80-Q119 HydrophobicContact CD2-CG 4.2Å
81	G	97.2	Very high	92.9	Very high	70 Å²	70	50.2 Å²	50.2	72%	0.722	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	18.1	-178.2	0	0	0	0	0	114.5	A77 A78 Y79	A77-G81 PolarHBondContact O-N 3.46Å; A78-G81 PolarHBondContact O-N 3.45Å; Y79-G81 PolarHBondContact O-N 3.43Å
82	V	97.3	Very high	92.3	Very high	41 Å²	41	51.9 Å²	51.9	25%	0.248	31%	0.307	C	S	.	.			trans	-119.5	15.5	-177.5	-61.8	0	0	0	0	113.5	A77 L80 E84 A85 V86 V112 M113	A77-V82 HydrophobicContact CB-CG2 4.33Å; A77-V82 CarbonylContact O-C 3.48Å; A77-V82 PolarHBondContact O-N 2.92Å; L80-V82 VanDerWaalsContact C-N 3.31Å; L80-V82 HydrophobicContact CB-CG2 3.94Å; L80-V82 PolarHBondContact O-N 3.07Å; V82-E84 VanDerWaalsContact C-N 3.33Å; V82-E84 PolarHBondContact O-N 2.89Å; V82-A85 PolarHBondContact O-N 3.19Å; V82-A85 VanDerWaalsContact O-N 3.09Å; V82-V86 HydrophobicContact CG2-CG2 4.18Å; V82-V86 PolarHBondContact O-N 3.29Å; V82-V112 HydrophobicContact CB-CG1 4.38Å; V82-M113 HydrophobicContact CG2-CB 4.47Å; V82-M113 HydrophobicContact CG2-CG 4.01Å
83	G	95.1	Very high	91.3	Very high	27 Å²	27	51.7 Å²	51.7	28%	0.278	30%	0.304	S	S	.	.	H	α-helix	trans	-52.8	-44.6	-177	0	0	0	0	0	114	A77 A85 V86 A87	A77-G83 PolarHBondContact O-N 3Å; A77-G83 VanDerWaalsContact O-N 3.14Å; G83-A85 PolarHBondContact O-N 3.37Å; G83-V86 PolarHBondContact O-N 3.45Å; G83-A87 WeakPolarHBondContact O-CB 3.27Å; G83-A87 PolarHBondContact O-N 3.21Å
84	E	94.4	Very high	90	Very high	153 Å²	153	58.3 Å²	58.3	72%	0.715	34%	0.336	S	S	*	.	H	α-helix	trans	-63.9	-41.5	178.3	-170.7	-175.9	174.1	0	0	112.2	V82 A87 N88	V82-E84 VanDerWaalsContact C-N 3.33Å; V82-E84 PolarHBondContact O-N 2.89Å; E84-A87 PolarHBondContact O-N 2.94Å; E84-N88 WeakPolarHBondContact O-CB 3.36Å; E84-N88 VanDerWaalsContact O-CG 3.26Å; E84-N88 PolarHBondContact O-N 3.24Å; E84-N88 PolarHBondContact O-ND2 3.18Å
85	A	92.9	Very high	88.5	Confident	41 Å²	41	61.5 Å²	61.5	34%	0.339	35%	0.353	S	S	.	.	H	α-helix	trans	-65.5	-41	178.7	0	0	0	0	0	111.5	V82 G83 N88 V89 V112	V82-A85 PolarHBondContact O-N 3.19Å; V82-A85 VanDerWaalsContact O-N 3.09Å; G83-A85 PolarHBondContact O-N 3.37Å; A85-N88 PolarHBondContact O-N 2.82Å; A85-V89 PolarHBondContact O-N 3.37Å; A85-V89 VanDerWaalsContact O-N 3.11Å; A85-V112 HydrophobicContact CB-CG1 3.58Å
86	V	93.1	Very high	86.4	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.006	35%	0.352	C	S	.	.	H	α-helix	trans	-64	-46.9	174.4	172.9	0	0	0	0	110.8	A77 V82 G83 N88 V89 T90 R109 V112 M113	A77-V86 HydrophobicContact CB-CB 3.91Å; A77-V86 HydrophobicContact CB-CG1 4.13Å; A77-V86 HydrophobicContact CB-CG2 3.66Å; V82-V86 HydrophobicContact CG2-CG2 4.18Å; V82-V86 PolarHBondContact O-N 3.29Å; G83-V86 PolarHBondContact O-N 3.45Å; V86-N88 VanDerWaalsContact C-N 3.28Å; V86-N88 PolarHBondContact O-N 3.45Å; V86-V89 PolarHBondContact O-N 3.44Å; V86-V89 VanDerWaalsContact O-N 3.17Å; V86-T90 PolarHBondContact O-N 3.21Å; V86-T90 PolarHBondContact O-OG1 3.43Å; V86-R109 HydrophobicContact CG1-CB 4.33Å; V86-R109 HydrophobicContact CG1-CG 4.09Å; V86-V112 HydrophobicContact CG2-CB 4.33Å; V86-V112 HydrophobicContact CG2-CG1 3.96Å; V86-M113 HydrophobicContact CG2-CG 3.42Å; V86-M113 VanDerWaalsContact CG2-CG 3.42Å; V86-M113 HydrophobicContact CG2-SD 3.97Å
87	A	89.2	Confident	84.1	Confident	41 Å²	41	65.3 Å²	65.3	34%	0.339	38%	0.383	S	S	.	.	H	α-helix	trans	-58.8	-39.2	177.3	0	0	0	0	0	112.4	G83 E84 T90 R91	G83-A87 WeakPolarHBondContact O-CB 3.27Å; G83-A87 PolarHBondContact O-N 3.21Å; E84-A87 PolarHBondContact O-N 2.94Å; A87-T90 PolarHBondContact O-N 3.22Å; A87-R91 WeakPolarHBondContact O-CB 3.49Å; A87-R91 PolarHBondContact O-N 3.35Å
88	N	89.1	Confident	81.8	Confident	77 Å²	77	70.2 Å²	70.2	41%	0.412	42%	0.424	S	S	.	.	H	α-helix	trans	-65.6	-42.2	176.5	-74.6	-23.1	0	0	0	112.5	E84 A85 V86 R91 T92	E84-N88 WeakPolarHBondContact O-CB 3.36Å; E84-N88 VanDerWaalsContact O-CG 3.26Å; E84-N88 PolarHBondContact O-N 3.24Å; E84-N88 PolarHBondContact O-ND2 3.18Å; A85-N88 PolarHBondContact O-N 2.82Å; V86-N88 VanDerWaalsContact C-N 3.28Å; V86-N88 PolarHBondContact O-N 3.45Å; N88-R91 PolarHBondContact O-N 3.2Å; N88-T92 PolarHBondContact O-N 3.49Å; N88-T92 PolarHBondContact O-OG1 3.16Å
89	V	87.6	Confident	79.4	Confident	38 Å²	38	77.1 Å²	77.1	23%	0.23	44%	0.437	C	S	.	.	H	α-helix	trans	-66.2	-43.5	174.7	171.5	0	0	0	0	111.3	A85 V86 R91 T92 A93 A108 R109 V112	A85-V89 PolarHBondContact O-N 3.37Å; A85-V89 VanDerWaalsContact O-N 3.11Å; V86-V89 PolarHBondContact O-N 3.44Å; V86-V89 VanDerWaalsContact O-N 3.17Å; V89-R91 VanDerWaalsContact C-N 3.34Å; V89-R91 PolarHBondContact O-N 3.04Å; V89-T92 PolarHBondContact O-N 3.19Å; V89-A93 WeakPolarHBondContact O-CB 3.31Å; V89-A93 PolarHBondContact O-N 3.38Å; V89-A108 HydrophobicContact CG1-CB 3.47Å; V89-A108 VanDerWaalsContact CG1-CB 3.47Å; V89-R109 HydrophobicContact CG1-CG 4.37Å; V89-V112 HydrophobicContact CG2-CG2 3.85Å
90	T	83.7	Confident	77.2	Confident	28 Å²	28	78 Å²	78	17%	0.172	44%	0.443	C	S	.	.	H	α-helix	trans	-56.6	-48	175.3	-59.9	0	0	0	0	111.1	V86 A87 T92 A93 M94 R109	V86-T90 PolarHBondContact O-N 3.21Å; V86-T90 PolarHBondContact O-OG1 3.43Å; A87-T90 PolarHBondContact O-N 3.22Å; T90-T92 VanDerWaalsContact C-N 3.32Å; T90-T92 PolarHBondContact O-N 3.24Å; T90-A93 PolarHBondContact O-N 3.14Å; T90-M94 HydrophobicContact CG2-CG 4.38Å; T90-M94 HydrophobicContact CG2-SD 3.64Å; T90-M94 WeakPolarHBondContact O-CB 3.34Å; T90-M94 VanDerWaalsContact O-CG 3.26Å; T90-M94 WeakPolarHBondContact O-CG 3.37Å; T90-M94 PolarHBondContact O-N 3.49Å; T90-R109 WeakPolarHBondContact OG1-CD 3.44Å
91	R	82.3	Confident	76.2	Confident	146 Å²	146	84 Å²	84	55%	0.551	46%	0.463	S	S	*	.	H	α-helix	trans	-61	-40.6	177.7	-165.6	-171	-43.4	-82.7	-4.4	112.2	A87 N88 V89 N95	A87-R91 WeakPolarHBondContact O-CB 3.49Å; A87-R91 PolarHBondContact O-N 3.35Å; N88-R91 PolarHBondContact O-N 3.2Å; V89-R91 VanDerWaalsContact C-N 3.34Å; V89-R91 PolarHBondContact O-N 3.04Å; R91-N95 WeakPolarHBondContact O-CB 3.49Å; R91-N95 VanDerWaalsContact O-CG 3.22Å; R91-N95 PolarHBondContact O-N 2.87Å; R91-N95 PolarHBondContact O-ND2 2.97Å
92	T	79.1	Confident	75.5	Confident	89 Å²	89	84.1 Å²	84.1	55%	0.546	44%	0.442	S	S	.	.	H	α-helix	trans	-69.4	-41.3	179.4	-55.3	0	0	0	0	111.6	N88 V89 T90 G96	N88-T92 PolarHBondContact O-N 3.49Å; N88-T92 PolarHBondContact O-OG1 3.16Å; V89-T92 PolarHBondContact O-N 3.19Å; T90-T92 VanDerWaalsContact C-N 3.32Å; T90-T92 PolarHBondContact O-N 3.24Å; T92-G96 WeakPolarHBondContact O-CA 3.38Å; T92-G96 PolarHBondContact O-N 3.48Å
93	A	73.1	Confident	75.2	Confident	11 Å²	11	85.9 Å²	85.9	9%	0.091	44%	0.444	C	S	.	.	H	α-helix	trans	-66.7	-39.5	177.4	0	0	0	0	0	112	V89 T90 F100 A105	V89-A93 WeakPolarHBondContact O-CB 3.31Å; V89-A93 PolarHBondContact O-N 3.38Å; T90-A93 PolarHBondContact O-N 3.14Å; A93-F100 HydrophobicContact CB-CD1 4.22Å; A93-A105 HydrophobicContact CB-CB 3.68Å
94	M	65.1	Low	74.8	Confident	142 Å²	142	88.1 Å²	88.1	70%	0.7	45%	0.45	S	S	*	.	H	α-helix	trans	-77.3	-29.7	179.4	-67.7	177.5	72.2	0	0	113.9	T90	T90-M94 HydrophobicContact CG2-CG 4.38Å; T90-M94 HydrophobicContact CG2-SD 3.64Å; T90-M94 WeakPolarHBondContact O-CB 3.34Å; T90-M94 VanDerWaalsContact O-CG 3.26Å; T90-M94 WeakPolarHBondContact O-CG 3.37Å; T90-M94 PolarHBondContact O-N 3.49Å
95	N	63	Low	74.5	Confident	134 Å²	134	82 Å²	82	72%	0.717	43%	0.425	S	S	*	.	H	α-helix	trans	-88	-9.5	174.5	-69.2	-19.1	0	0	0	113	R91	R91-N95 WeakPolarHBondContact O-CB 3.49Å; R91-N95 VanDerWaalsContact O-CG 3.22Å; R91-N95 PolarHBondContact O-N 2.87Å; R91-N95 PolarHBondContact O-ND2 2.97Å
96	G	51.2	Low	74.5	Confident	30 Å²	30	80.1 Å²	80.1	31%	0.309	41%	0.41	S	S	.	.	S	Bend	trans	-77.5	150.6	-177.9	0	0	0	0	0	112.5	T92	T92-G96 WeakPolarHBondContact O-CA 3.38Å; T92-G96 PolarHBondContact O-N 3.48Å
97	N	47.6	Very low	74.5	Confident	123 Å²	123	81.7 Å²	81.7	66%	0.658	42%	0.423	S	S	*	.			trans	-40.6	151.4	174.1	-139	-11.9	0	0	0	112.3	R99 F100	N97-R99 PolarHBondContact O-N 3.14Å; N97-F100 PolarHBondContact O-N 3.34Å
98	A	48.3	Very low	74.6	Confident	104 Å²	104	81.3 Å²	81.3	86%	0.86	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	4.3	-179.5	0	0	0	0	0	116.8
99	R	43.9	Very low	74.8	Confident	205 Å²	205	79.8 Å²	79.8	77%	0.774	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-14.8	170.4	-67.6	-174.1	-168	147	3.4	114.5	N97 R101	N97-R99 PolarHBondContact O-N 3.14Å; R99-R101 PolarHBondContact O-N 3.01Å
100	F	52.1	Low	75.2	Confident	105 Å²	105	78 Å²	78	46%	0.461	40%	0.397	S	S	.	.			trans	-77.2	91.5	170	-83.2	-82.7	0	0	0	108.7	A93 N97 D104	A93-F100 HydrophobicContact CB-CD1 4.22Å; N97-F100 PolarHBondContact O-N 3.34Å; F100-D104 HydrophobicContact CD1-CB 4.45Å
101	R	74.3	Confident	75.7	Confident	159 Å²	159	81.6 Å²	81.6	60%	0.6	41%	0.412	S	S	*	.			trans	-68.1	150.5	173.3	-55.4	-172.9	77.2	-175.4	-0.1	108	R99 R103 D104 A105 D198	R99-R101 PolarHBondContact O-N 3.01Å; R101-R103 PolarHBondContact O-N 2.93Å; R101-R103 VanDerWaalsContact O-N 3.11Å; R101-D104 PolarHBondContact N-OD2 3.13Å; R101-D104 WeakPolarHBondContact O-CB 3.47Å; R101-D104 PolarHBondContact O-N 3.43Å; R101-A105 PolarHBondContact O-N 3.14Å; R101-D198 IonicContact NH2-OD2 3.37Å
102	Y	84.2	Confident	76.4	Confident	72 Å²	72	77.1 Å²	77.1	28%	0.282	40%	0.401	S	S	.	.	H	α-helix	trans	-47.2	-44	-179.9	175.8	-85.5	0	0	0	112.3	D104 A105 L106 G154 S199	Y102-D104 VanDerWaalsContact C-N 3.34Å; Y102-D104 PolarHBondContact O-N 3.07Å; Y102-A105 WeakPolarHBondContact O-CB 3.26Å; Y102-A105 PolarHBondContact O-N 3.3Å; Y102-L106 HydrophobicContact CE1-CD2 4.44Å; Y102-L106 PolarHBondContact O-N 2.98Å; Y102-G154 WeakPolarHBondContact OH-CA 3.04Å; Y102-G154 PolarHBondContact OH-O 2.93Å; Y102-S199 VanDerWaalsContact CB-OG 3.27Å; Y102-S199 WeakPolarHBondContact CB-OG 3.49Å
103	R	89.3	Confident	77.2	Confident	78 Å²	78	73.4 Å²	73.4	29%	0.294	38%	0.377	S	S	.	.	H	α-helix	trans	-55.8	-42.3	175.2	-174.7	175.7	-71.1	-175.4	-8.4	114	R101 L106 A107 F190 T192 S197	R101-R103 PolarHBondContact O-N 2.93Å; R101-R103 VanDerWaalsContact O-N 3.11Å; R103-L106 PolarHBondContact O-N 2.83Å; R103-A107 WeakPolarHBondContact O-CB 3.41Å; R103-A107 PolarHBondContact O-N 3.23Å; R103-F190 HydrophobicContact CG-CE2 4.36Å; R103-F190 HydrophobicContact CG-CZ 3.89Å; R103-T192 PolarHBondContact NH2-O 3.19Å; R103-T192 VanDerWaalsContact NH2-O 3.09Å; R103-S197 WeakPolarHBondContact CB-O 3.41Å; R103-S197 PolarHBondContact NE-O 2.91Å; R103-S197 PolarHBondContact NH2-OG 3.07Å
104	D	88	Confident	78.3	Confident	74 Å²	74	78.1 Å²	78.1	40%	0.396	40%	0.396	S	S	.	.	H	α-helix	trans	-68.5	-38.3	-178.7	-59.6	-39.6	0	0	0	110.9	F100 R101 Y102 A107 A108	F100-D104 HydrophobicContact CD1-CB 4.45Å; R101-D104 PolarHBondContact N-OD2 3.13Å; R101-D104 WeakPolarHBondContact O-CB 3.47Å; R101-D104 PolarHBondContact O-N 3.43Å; Y102-D104 VanDerWaalsContact C-N 3.34Å; Y102-D104 PolarHBondContact O-N 3.07Å; D104-A107 PolarHBondContact O-N 2.96Å; D104-A108 VanDerWaalsContact O-CB 3.32Å; D104-A108 WeakPolarHBondContact O-CB 3.49Å; D104-A108 PolarHBondContact O-N 2.65Å
105	A	88.4	Confident	79.8	Confident	23 Å²	23	71.3 Å²	71.3	19%	0.19	36%	0.362	C	S	.	.	H	α-helix	trans	-63.8	-44.3	174.8	0	0	0	0	0	111.6	A93 R101 Y102 A108 R109	A93-A105 HydrophobicContact CB-CB 3.68Å; R101-A105 PolarHBondContact O-N 3.14Å; Y102-A105 WeakPolarHBondContact O-CB 3.26Å; Y102-A105 PolarHBondContact O-N 3.3Å; A105-A108 PolarHBondContact O-N 3.48Å; A105-R109 WeakPolarHBondContact O-CG 3.48Å; A105-R109 PolarHBondContact O-N 3.29Å; A105-R109 VanDerWaalsContact O-N 3.11Å
106	L	91.5	Very high	81.5	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-62.2	-47	175.7	-176.3	61.4	0	0	0	111.5	I73 Y102 R103 A108 R109 L110 F156 F190	I73-L106 HydrophobicContact CD1-CD1 4.42Å; Y102-L106 HydrophobicContact CE1-CD2 4.44Å; Y102-L106 PolarHBondContact O-N 2.98Å; R103-L106 PolarHBondContact O-N 2.83Å; L106-A108 VanDerWaalsContact C-N 3.33Å; L106-A108 PolarHBondContact O-N 2.9Å; L106-R109 PolarHBondContact O-N 3.21Å; L106-L110 HydrophobicContact CG-CD1 4.44Å; L106-L110 PolarHBondContact O-N 2.87Å; L106-F156 HydrophobicContact CD1-CE2 4.4Å; L106-F156 HydrophobicContact CD1-CZ 3.74Å; L106-F156 HydrophobicContact CG-CZ 4.5Å; L106-F190 HydrophobicContact CD2-CD2 4.12Å; L106-F190 HydrophobicContact CD2-CE2 3.86Å; L106-F190 HydrophobicContact CD2-CZ 4.26Å; L106-F190 HydrophobicContact CG-CZ 4.48Å
107	A	92.8	Very high	83.7	Confident	34 Å²	34	70.1 Å²	70.1	28%	0.281	35%	0.346	S	S	.	.	H	α-helix	trans	-59.3	-43.4	177.5	0	0	0	0	0	111.9	R103 D104 L110 Q111 F190	R103-A107 WeakPolarHBondContact O-CB 3.41Å; R103-A107 PolarHBondContact O-N 3.23Å; D104-A107 PolarHBondContact O-N 2.96Å; A107-L110 PolarHBondContact O-N 3.25Å; A107-Q111 VanDerWaalsContact O-CB 3.24Å; A107-Q111 WeakPolarHBondContact O-CB 3.1Å; A107-Q111 PolarHBondContact O-N 2.86Å; A107-F190 HydrophobicContact CB-CE1 3.79Å; A107-F190 HydrophobicContact CB-CZ 4.3Å
108	A	92.3	Very high	86	Confident	33 Å²	33	70.2 Å²	70.2	27%	0.273	34%	0.342	S	S	.	.	H	α-helix	trans	-64.8	-42.7	179.9	0	0	0	0	0	112.1	V89 D104 A105 L106 Q111 V112	V89-A108 HydrophobicContact CG1-CB 3.47Å; V89-A108 VanDerWaalsContact CG1-CB 3.47Å; D104-A108 VanDerWaalsContact O-CB 3.32Å; D104-A108 WeakPolarHBondContact O-CB 3.49Å; D104-A108 PolarHBondContact O-N 2.65Å; A105-A108 PolarHBondContact O-N 3.48Å; L106-A108 VanDerWaalsContact C-N 3.33Å; L106-A108 PolarHBondContact O-N 2.9Å; A108-Q111 PolarHBondContact O-N 2.81Å; A108-V112 PolarHBondContact O-N 3.35Å
109	R	94.3	Very high	88.4	Confident	44 Å²	44	68.2 Å²	68.2	17%	0.166	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-49.3	175.3	-72.7	162.8	42.2	178.2	-29.8	111.4	I73 V86 V89 T90 A105 L106 Q111 V112 M113	I73-R109 HydrophobicContact CD1-CB 4.23Å; V86-R109 HydrophobicContact CG1-CB 4.33Å; V86-R109 HydrophobicContact CG1-CG 4.09Å; V89-R109 HydrophobicContact CG1-CG 4.37Å; T90-R109 WeakPolarHBondContact OG1-CD 3.44Å; A105-R109 WeakPolarHBondContact O-CG 3.48Å; A105-R109 PolarHBondContact O-N 3.29Å; A105-R109 VanDerWaalsContact O-N 3.11Å; L106-R109 PolarHBondContact O-N 3.21Å; R109-Q111 VanDerWaalsContact C-N 3.29Å; R109-Q111 PolarHBondContact O-N 3.19Å; R109-V112 PolarHBondContact O-N 3.22Å; R109-V112 VanDerWaalsContact O-N 3.16Å; R109-M113 WeakPolarHBondContact O-CG 3.36Å; R109-M113 PolarHBondContact O-N 2.91Å; R109-M113 VanDerWaalsContact O-N 3.1Å
110	L	95.5	Very high	90.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-33.6	177.5	-75.3	176	0	0	0	113	L106 A107 V112 M113 K114 F156 I179 Y187 F190	L106-L110 HydrophobicContact CG-CD1 4.44Å; L106-L110 PolarHBondContact O-N 2.87Å; A107-L110 PolarHBondContact O-N 3.25Å; L110-V112 VanDerWaalsContact C-N 3.27Å; L110-V112 PolarHBondContact O-N 2.9Å; L110-M113 PolarHBondContact O-N 3Å; L110-K114 PolarHBondContact O-N 3.24Å; L110-F156 HydrophobicContact CD1-CE1 3.95Å; L110-F156 HydrophobicContact CD1-CZ 3.64Å; L110-F156 HydrophobicContact CD2-CE1 4.3Å; L110-F156 HydrophobicContact CD2-CE2 3.92Å; L110-F156 HydrophobicContact CD2-CZ 3.52Å; L110-F156 HydrophobicContact CG-CZ 3.79Å; L110-I179 HydrophobicContact CD2-CD1 4.1Å; L110-I179 HydrophobicContact CD2-CG1 4.44Å; L110-Y187 HydrophobicContact CB-CE2 4.04Å; L110-Y187 WeakPolarHBondContact CB-OH 3.31Å; L110-Y187 HydrophobicContact CD1-CE2 4.32Å; L110-Y187 HydrophobicContact CD2-CE2 4.45Å; L110-F190 HydrophobicContact CD1-CB 3.8Å; L110-F190 HydrophobicContact CD1-CD1 3.52Å; L110-F190 HydrophobicContact CD1-CE1 4.34Å; L110-F190 HydrophobicContact CD1-CG 3.86Å
111	Q	94.6	Very high	93	Very high	104 Å²	104	55.6 Å²	55.6	49%	0.486	27%	0.267	S	S	.	.	H	α-helix	trans	-68.3	-27.1	177	-175.6	62.9	8.9	0	0	112.8	A107 A108 R109 K114	A107-Q111 VanDerWaalsContact O-CB 3.24Å; A107-Q111 WeakPolarHBondContact O-CB 3.1Å; A107-Q111 PolarHBondContact O-N 2.86Å; A108-Q111 PolarHBondContact O-N 2.81Å; R109-Q111 VanDerWaalsContact C-N 3.29Å; R109-Q111 PolarHBondContact O-N 3.19Å; Q111-K114 WeakPolarHBondContact O-CE 3.31Å; Q111-K114 VanDerWaalsContact O-CG 3.32Å; Q111-K114 WeakPolarHBondContact O-CG 3.22Å
112	V	95.4	Very high	94	Very high	52 Å²	52	51.8 Å²	51.8	32%	0.315	26%	0.255	S	S	.	.	H	α-helix	trans	-75.4	-41.6	170.5	171.6	0	0	0	0	110.7	V82 A85 V86 V89 A108 R109 L110	V82-V112 HydrophobicContact CB-CG1 4.38Å; A85-V112 HydrophobicContact CB-CG1 3.58Å; V86-V112 HydrophobicContact CG2-CB 4.33Å; V86-V112 HydrophobicContact CG2-CG1 3.96Å; V89-V112 HydrophobicContact CG2-CG2 3.85Å; A108-V112 PolarHBondContact O-N 3.35Å; R109-V112 PolarHBondContact O-N 3.22Å; R109-V112 VanDerWaalsContact O-N 3.16Å; L110-V112 VanDerWaalsContact C-N 3.27Å; L110-V112 PolarHBondContact O-N 2.9Å
113	M	96.8	Very high	94.6	Very high	12 Å²	12	49.1 Å²	49.1	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-74.5	-45.9	-175.3	-64.6	169.2	67.9	0	0	113.7	I73 L76 A77 L80 V82 V86 R109 L110 P115	I73-M113 HydrophobicContact CD1-SD 3.84Å; I73-M113 HydrophobicContact CG1-CE 3.94Å; I73-M113 HydrophobicContact CG1-SD 3.62Å; L76-M113 HydrophobicContact CB-CE 3.79Å; L76-M113 HydrophobicContact CD2-CE 3.56Å; L76-M113 HydrophobicContact CG-CE 3.45Å; L76-M113 VanDerWaalsContact CG-CE 3.45Å; A77-M113 HydrophobicContact CB-CE 4Å; A77-M113 HydrophobicContact CB-CG 4.26Å; A77-M113 HydrophobicContact CB-SD 4.1Å; L80-M113 HydrophobicContact CD1-CB 3.98Å; L80-M113 HydrophobicContact CD1-CE 4.03Å; V82-M113 HydrophobicContact CG2-CB 4.47Å; V82-M113 HydrophobicContact CG2-CG 4.01Å; V86-M113 HydrophobicContact CG2-CG 3.42Å; V86-M113 VanDerWaalsContact CG2-CG 3.42Å; V86-M113 HydrophobicContact CG2-SD 3.97Å; R109-M113 WeakPolarHBondContact O-CG 3.36Å; R109-M113 PolarHBondContact O-N 2.91Å; R109-M113 VanDerWaalsContact O-N 3.1Å; L110-M113 PolarHBondContact O-N 3Å; M113-P115 VanDerWaalsContact C-CD 3.5Å; M113-P115 VanDerWaalsContact C-N 3.28Å
114	K	96.5	Very high	94.8	Very high	109 Å²	109	46 Å²	46	47%	0.474	24%	0.235	S	C	.	.			trans	37.1	53.5	-172.5	-61.3	-176.1	176.5	177.2	0	113.2	L110 Q111 N116 Y187	L110-K114 PolarHBondContact O-N 3.24Å; Q111-K114 WeakPolarHBondContact O-CE 3.31Å; Q111-K114 VanDerWaalsContact O-CG 3.32Å; Q111-K114 WeakPolarHBondContact O-CG 3.22Å; K114-N116 PolarHBondContact O-N 3.4Å; K114-Y187 HydrophobicContact CB-CD1 4.12Å; K114-Y187 HydrophobicContact CB-CG 4.27Å; K114-Y187 HydrophobicContact CG-CD1 3.82Å; K114-Y187 HydrophobicContact CG-CE1 4.34Å; K114-Y187 HydrophobicContact CG-CG 4.46Å
115	P	96.8	Very high	95	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.			trans	-58.5	136.2	179.5	26.4	-33.1	0	0	0	109.1	L80 M113 I179 F181 Y187	L80-P115 HydrophobicContact CD1-CB 4.02Å; M113-P115 VanDerWaalsContact C-CD 3.5Å; M113-P115 VanDerWaalsContact C-N 3.28Å; P115-I179 HydrophobicContact CG-CD1 4.1Å; P115-F181 WeakPolarHBondContact O-CE1 3.49Å; P115-Y187 WeakPolarHBondContact O-CB 3.47Å
116	N	97.5	Very high	95.2	Very high	52 Å²	52	52.5 Å²	52.5	28%	0.278	27%	0.266	S	S	.	.			trans	-85.5	165.5	164.5	76.2	44.6	0	0	0	110.2	K114 E118 Q119 L120 F181 G185	K114-N116 PolarHBondContact O-N 3.4Å; N116-E118 VanDerWaalsContact C-N 3.34Å; N116-E118 PolarHBondContact O-N 3.48Å; N116-E118 WeakPolarHBondContact OD1-CB 3.32Å; N116-E118 PolarHBondContact OD1-N 2.87Å; N116-Q119 VanDerWaalsContact CG-OE1 3.27Å; N116-Q119 VanDerWaalsContact ND2-CD 3.31Å; N116-Q119 PolarHBondContact ND2-OE1 2.83Å; N116-Q119 VanDerWaalsContact ND2-OE1 3.16Å; N116-Q119 PolarHBondContact O-N 3Å; N116-Q119 WeakPolarHBondContact OD1-CG 3.49Å; N116-Q119 PolarHBondContact OD1-N 3.4Å; N116-L120 PolarHBondContact O-N 2.87Å; N116-L120 VanDerWaalsContact O-N 3.09Å; N116-F181 VanDerWaalsContact C-CE1 3.42Å; N116-G185 CarbonylContact C-O 3.56Å; N116-G185 WeakPolarHBondContact CA-O 3.46Å; N116-G185 VanDerWaalsContact CB-O 3.32Å; N116-G185 WeakPolarHBondContact CB-O 3.41Å
117	H	97.4	Very high	95	Very high	86 Å²	86	54.4 Å²	54.4	40%	0.398	28%	0.279	S	S	.	.	H	α-helix	trans	-59.8	-44.2	-175.8	179.2	-90.1	0	0	0	111.8	Q119 L120 E121 F181 G185	H117-Q119 PolarHBondContact O-N 2.87Å; H117-L120 PolarHBondContact O-N 2.84Å; H117-E121 IonicContact NE2-OE1 3.64Å; H117-E121 WeakPolarHBondContact O-CG 3.49Å; H117-E121 PolarHBondContact O-N 3.07Å; H117-F181 HydrophobicContact CB-CD1 3.9Å; H117-F181 HydrophobicContact CB-CD2 4.16Å; H117-F181 HydrophobicContact CB-CE1 4.07Å; H117-F181 HydrophobicContact CB-CE2 4.33Å; H117-F181 HydrophobicContact CB-CG 3.94Å; H117-F181 HydrophobicContact CB-CZ 4.28Å; H117-F181 AromaticContact CD2-CD2 3.84Å; H117-F181 AromaticContact CD2-CE2 3.94Å; H117-G185 PolarHBondContact N-O 2.93Å
118	E	97.4	Very high	94.8	Very high	126 Å²	126	61.5 Å²	61.5	59%	0.589	30%	0.304	S	S	*	.	H	α-helix	trans	-62.8	-42.3	179.7	-174.9	-179.2	-176.3	0	0	112.2	N116 L120 E121 Q122	N116-E118 VanDerWaalsContact C-N 3.34Å; N116-E118 PolarHBondContact O-N 3.48Å; N116-E118 WeakPolarHBondContact OD1-CB 3.32Å; N116-E118 PolarHBondContact OD1-N 2.87Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-L120 PolarHBondContact O-N 3.45Å; E118-E121 PolarHBondContact O-N 3.29Å; E118-Q122 HydrophobicContact CG-CG 4.35Å; E118-Q122 WeakPolarHBondContact O-CB 3.44Å; E118-Q122 VanDerWaalsContact O-CG 3.23Å; E118-Q122 WeakPolarHBondContact O-CG 3.41Å; E118-Q122 PolarHBondContact O-N 3.13Å; E118-Q122 PolarHBondContact OE1-NE2 2.75Å; E118-Q122 VanDerWaalsContact OE1-NE2 3.15Å
119	Q	97.3	Very high	94.6	Very high	62 Å²	62	61.4 Å²	61.4	29%	0.29	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-41.7	176.5	-73.1	171.2	-42	0	0	111.8	Y79 L80 N116 H117 F123	Y79-Q119 HydrophobicContact CE1-CB 4.48Å; L80-Q119 HydrophobicContact CD2-CB 4.02Å; L80-Q119 HydrophobicContact CD2-CG 4.2Å; N116-Q119 VanDerWaalsContact CG-OE1 3.27Å; N116-Q119 VanDerWaalsContact ND2-CD 3.31Å; N116-Q119 PolarHBondContact ND2-OE1 2.83Å; N116-Q119 VanDerWaalsContact ND2-OE1 3.16Å; N116-Q119 PolarHBondContact O-N 3Å; N116-Q119 WeakPolarHBondContact OD1-CG 3.49Å; N116-Q119 PolarHBondContact OD1-N 3.4Å; H117-Q119 PolarHBondContact O-N 2.87Å; Q119-F123 VanDerWaalsContact O-CB 3.28Å; Q119-F123 WeakPolarHBondContact O-CB 3.33Å; Q119-F123 PolarHBondContact O-N 3.49Å
120	L	96.5	Very high	94.6	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-64	-45.2	176.5	-179.1	62.3	0	0	0	111.1	L76 N116 H117 E118 F123 V124 R158 L159 I179 F181	L76-L120 HydrophobicContact CD1-CD1 4.41Å; L76-L120 HydrophobicContact CD2-CD1 3.99Å; N116-L120 PolarHBondContact O-N 2.87Å; N116-L120 VanDerWaalsContact O-N 3.09Å; H117-L120 PolarHBondContact O-N 2.84Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-L120 PolarHBondContact O-N 3.45Å; L120-F123 PolarHBondContact O-N 3Å; L120-V124 HydrophobicContact CD1-CG2 4.36Å; L120-V124 WeakPolarHBondContact O-CB 3.49Å; L120-V124 VanDerWaalsContact O-CG2 3.26Å; L120-V124 WeakPolarHBondContact O-CG2 3.45Å; L120-V124 PolarHBondContact O-N 3.22Å; L120-R158 HydrophobicContact CD2-CB 3.98Å; L120-R158 HydrophobicContact CD2-CG 3.92Å; L120-R158 HydrophobicContact CG-CB 4.44Å; L120-R158 HydrophobicContact CG-CG 4.06Å; L120-L159 HydrophobicContact CD1-CD2 3.58Å; L120-L159 HydrophobicContact CD1-CG 4.4Å; L120-I179 HydrophobicContact CD2-CD1 4.3Å; L120-F181 HydrophobicContact CB-CZ 4.37Å; L120-F181 HydrophobicContact CD2-CE2 4.03Å; L120-F181 HydrophobicContact CD2-CZ 3.71Å
121	E	95.7	Very high	94.8	Very high	42 Å²	42	65.6 Å²	65.6	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-46.9	176.4	-71.9	-60.8	134.4	0	0	112.2	H117 E118 F123 V124 N125 R158	H117-E121 IonicContact NE2-OE1 3.64Å; H117-E121 WeakPolarHBondContact O-CG 3.49Å; H117-E121 PolarHBondContact O-N 3.07Å; E118-E121 PolarHBondContact O-N 3.29Å; E121-F123 PolarHBondContact O-N 3.3Å; E121-V124 PolarHBondContact O-N 2.92Å; E121-N125 WeakPolarHBondContact O-CB 3.25Å; E121-N125 PolarHBondContact O-N 3.42Å; E121-N125 PolarHBondContact O-ND2 3.14Å; E121-R158 IonicContact OE1-CZ 2.8Å; E121-R158 VanDerWaalsContact OE1-CZ 3.24Å; E121-R158 IonicContact OE1-NE 2.81Å; E121-R158 PolarHBondContact OE1-NE 2.72Å; E121-R158 IonicContact OE1-NH2 3.59Å; E121-R158 PolarHBondContact OE1-NH2 3.38Å; E121-R158 IonicContact OE2-CZ 2.73Å; E121-R158 IonicContact OE2-NE 3.85Å; E121-R158 IonicContact OE2-NH2 3.58Å; E121-R158 PolarHBondContact OE2-NH2 2.96Å
122	Q	96.7	Very high	95	Very high	78 Å²	78	61 Å²	61	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-59.2	-48.1	176.5	-74.8	173.3	-5	0	0	110.9	Y79 E118 V124 N125 I126	Y79-Q122 WeakPolarHBondContact OH-CB 3.42Å; Y79-Q122 PolarHBondContact OH-OE1 3Å; E118-Q122 HydrophobicContact CG-CG 4.35Å; E118-Q122 WeakPolarHBondContact O-CB 3.44Å; E118-Q122 VanDerWaalsContact O-CG 3.23Å; E118-Q122 WeakPolarHBondContact O-CG 3.41Å; E118-Q122 PolarHBondContact O-N 3.13Å; E118-Q122 PolarHBondContact OE1-NE2 2.75Å; E118-Q122 VanDerWaalsContact OE1-NE2 3.15Å; Q122-V124 PolarHBondContact O-N 2.78Å; Q122-N125 PolarHBondContact O-N 2.84Å; Q122-I126 WeakPolarHBondContact O-CG1 3.46Å; Q122-I126 WeakPolarHBondContact O-CG2 3.44Å; Q122-I126 PolarHBondContact O-N 2.9Å
123	F	96.1	Very high	95.1	Very high	16 Å²	16	64.1 Å²	64.1	7%	0.07	32%	0.319	C	S	.	.	H	α-helix	trans	-56.9	-48.8	177.4	175.7	-104.1	0	0	0	111.6	E75 L76 Y79 Q119 L120 E121 N125 I126 S127 L159	E75-F123 HydrophobicContact CB-CE2 4.26Å; E75-F123 HydrophobicContact CB-CZ 3.71Å; L76-F123 HydrophobicContact CB-CD1 4.29Å; L76-F123 HydrophobicContact CB-CE1 4.03Å; L76-F123 HydrophobicContact CB-CZ 4.23Å; L76-F123 HydrophobicContact CD1-CB 3.92Å; L76-F123 HydrophobicContact CD1-CD1 3.76Å; L76-F123 HydrophobicContact CD1-CD2 4.28Å; L76-F123 HydrophobicContact CD1-CE1 4.37Å; L76-F123 HydrophobicContact CD1-CG 3.7Å; Y79-F123 VanDerWaalsContact CB-CD2 3.5Å; Y79-F123 HydrophobicContact CD1-CB 3.82Å; Y79-F123 AromaticContact CD1-CD2 3.89Å; Y79-F123 HydrophobicContact CD1-CD2 3.89Å; Y79-F123 HydrophobicContact CD1-CG 4.22Å; Y79-F123 HydrophobicContact CD2-CD2 4.07Å; Y79-F123 HydrophobicContact CE1-CB 3.91Å; Y79-F123 HydrophobicContact CG-CB 4.29Å; Y79-F123 AromaticContact CG-CD2 3.54Å; Y79-F123 HydrophobicContact CG-CD2 3.54Å; Y79-F123 HydrophobicContact CG-CE2 4.35Å; Y79-F123 HydrophobicContact CG-CG 4.32Å; Q119-F123 VanDerWaalsContact O-CB 3.28Å; Q119-F123 WeakPolarHBondContact O-CB 3.33Å; Q119-F123 PolarHBondContact O-N 3.49Å; L120-F123 PolarHBondContact O-N 3Å; E121-F123 PolarHBondContact O-N 3.3Å; F123-N125 VanDerWaalsContact C-N 3.28Å; F123-N125 PolarHBondContact O-N 2.97Å; F123-I126 WeakPolarHBondContact O-CG1 3.46Å; F123-I126 PolarHBondContact O-N 3.37Å; F123-S127 WeakPolarHBondContact CD2-OG 3.35Å; F123-S127 WeakPolarHBondContact CE2-OG 3.34Å; F123-S127 WeakPolarHBondContact CZ-OG 3.17Å; F123-S127 WeakPolarHBondContact O-CB 3.48Å; F123-S127 PolarHBondContact O-N 3.41Å; F123-S127 PolarHBondContact O-OG 2.84Å; F123-L159 HydrophobicContact CD1-CD2 3.68Å; F123-L159 HydrophobicContact CE1-CD2 3.69Å
124	V	94.3	Very high	95.2	Very high	14 Å²	14	64.2 Å²	64.2	9%	0.085	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-34.6	-179.9	168.3	0	0	0	0	112.1	L120 E121 Q122 R158 L159 P162	L120-V124 HydrophobicContact CD1-CG2 4.36Å; L120-V124 WeakPolarHBondContact O-CB 3.49Å; L120-V124 VanDerWaalsContact O-CG2 3.26Å; L120-V124 WeakPolarHBondContact O-CG2 3.45Å; L120-V124 PolarHBondContact O-N 3.22Å; E121-V124 PolarHBondContact O-N 2.92Å; Q122-V124 PolarHBondContact O-N 2.78Å; V124-R158 HydrophobicContact CG2-CG 4.17Å; V124-L159 HydrophobicContact CG2-CD2 3.7Å; V124-P162 HydrophobicContact CG1-CG 3.7Å
125	N	92.6	Very high	95.3	Very high	124 Å²	124	59 Å²	59	66%	0.663	30%	0.3	S	S	*	.	H	α-helix	trans	-75.1	-33.1	179.9	-72.3	-31.8	0	0	0	113.5	E121 Q122 F123	E121-N125 WeakPolarHBondContact O-CB 3.25Å; E121-N125 PolarHBondContact O-N 3.42Å; E121-N125 PolarHBondContact O-ND2 3.14Å; Q122-N125 PolarHBondContact O-N 2.84Å; F123-N125 VanDerWaalsContact C-N 3.28Å; F123-N125 PolarHBondContact O-N 2.97Å
126	I	92.2	Very high	95.3	Very high	109 Å²	109	64.3 Å²	64.3	56%	0.559	32%	0.32	S	S	*	.	H	α-helix	trans	-90.7	-28.6	-179.3	69.7	179.9	0	0	0	112.6	Y79 Q122 F123	Y79-I126 HydrophobicContact CD2-CD1 4Å; Y79-I126 HydrophobicContact CE2-CD1 3.51Å; Q122-I126 WeakPolarHBondContact O-CG1 3.46Å; Q122-I126 WeakPolarHBondContact O-CG2 3.44Å; Q122-I126 PolarHBondContact O-N 2.9Å; F123-I126 WeakPolarHBondContact O-CG1 3.46Å; F123-I126 PolarHBondContact O-N 3.37Å
127	S	87.2	Confident	95.4	Very high	42 Å²	42	66.6 Å²	66.6	29%	0.294	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-82.1	124.5	-174.2	-57	0	0	0	0	110.1	F123	F123-S127 WeakPolarHBondContact CD2-OG 3.35Å; F123-S127 WeakPolarHBondContact CE2-OG 3.34Å; F123-S127 WeakPolarHBondContact CZ-OG 3.17Å; F123-S127 WeakPolarHBondContact O-CB 3.48Å; F123-S127 PolarHBondContact O-N 3.41Å; F123-S127 PolarHBondContact O-OG 2.84Å
128	K	87	Confident	95.5	Very high	184 Å²	184	62.5 Å²	62.5	80%	0.8	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-95.8	121.1	172.5	-66.5	-173.5	-178.9	-178.4	0	108.4	K130	K128-K130 PolarHBondContact O-N 2.75Å
129	P	88.6	Confident	95.5	Very high	31 Å²	31	56.6 Å²	56.6	20%	0.201	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-58.8	132.4	176.6	-21.7	30.5	0	0	0	111.7	L131 P162 V163 L166	P129-L131 PolarHBondContact O-N 3.27Å; P129-P162 HydrophobicContact CG-CB 3.87Å; P129-V163 HydrophobicContact CB-CG2 3.64Å; P129-V163 HydrophobicContact CG-CG2 3.76Å; P129-L166 HydrophobicContact CB-CD1 4.41Å; P129-L166 HydrophobicContact CG-CD1 4.15Å
130	K	95.6	Very high	95.6	Very high	101 Å²	101	57.3 Å²	57.3	44%	0.439	29%	0.294	S	S	.	.			trans	-87	85.5	176	-64.8	172.8	-167.2	149.9	0	108.6	C68 Q69 E75 K128 T132	C68-K130 CarbonylContact C-O 3.59Å; C68-K130 WeakPolarHBondContact CA-O 3.36Å; Q69-K130 HydrophobicContact CB-CB 4.21Å; Q69-K130 HydrophobicContact CG-CB 4.48Å; Q69-K130 WeakPolarHBondContact CG-O 3.38Å; Q69-K130 PolarHBondContact N-O 3.01Å; E75-K130 IonicContact OE1-NZ 3.68Å; K128-K130 PolarHBondContact O-N 2.75Å; K130-T132 PolarHBondContact O-N 3.39Å
131	L	98.1	Very high	95.7	Very high	31 Å²	31	60.9 Å²	60.9	16%	0.162	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-60	136.9	177.2	-62.3	-179	0	0	0	110.9	V67 Q69 P129 I135 V163 L166 L167	V67-L131 HydrophobicContact CG1-CD2 4.27Å; Q69-L131 PolarHBondContact NE2-O 3.47Å; P129-L131 PolarHBondContact O-N 3.27Å; L131-I135 HydrophobicContact CB-CG2 3.9Å; L131-I135 HydrophobicContact CD2-CG2 4.44Å; L131-V163 HydrophobicContact CD2-CG1 3.89Å; L131-L166 HydrophobicContact CD1-CB 4.23Å; L131-L166 HydrophobicContact CD1-CD1 4.36Å; L131-L167 HydrophobicContact CD1-CD2 4.03Å; L131-L167 HydrophobicContact CD2-CD1 4.46Å; L131-L167 HydrophobicContact CD2-CG 4.49Å
132	T	98.6	Very high	95.8	Very high	8 Å²	8	58.9 Å²	58.9	5%	0.049	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-63.9	138.9	171.8	-56.7	0	0	0	0	110.1	T66 V67 K130 G134 I135 F244 N247 F264	T66-T132 VanDerWaalsContact O-CB 3.29Å; T66-T132 WeakPolarHBondContact O-CB 3.34Å; T66-T132 PolarHBondContact O-OG1 2.94Å; V67-T132 PolarHBondContact O-N 3.33Å; V67-T132 PolarHBondContact O-OG1 3.15Å; K130-T132 PolarHBondContact O-N 3.39Å; T132-G134 PolarHBondContact O-N 2.93Å; T132-I135 WeakPolarHBondContact O-CG2 3.41Å; T132-I135 PolarHBondContact O-N 3.39Å; T132-F244 HydrophobicContact CG2-CE1 3.9Å; T132-F244 HydrophobicContact CG2-CZ 3.58Å; T132-N247 PolarHBondContact OG1-ND2 2.79Å; T132-F264 HydrophobicContact CG2-CD2 3.78Å; T132-F264 HydrophobicContact CG2-CE2 3.52Å
133	V	98.3	Very high	95.9	Very high	117 Å²	117	58.1 Å²	58.1	71%	0.709	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	133	-178.1	-179.8	0	0	0	0	110.3	I135	V133-I135 PolarHBondContact O-N 2.85Å
134	G	98.3	Very high	96	Very high	13 Å²	13	61 Å²	61	13%	0.134	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-13.1	179	0	0	0	0	0	115.7	T132 R136 E137 L138	T132-G134 PolarHBondContact O-N 2.93Å; G134-R136 VanDerWaalsContact C-N 3.32Å; G134-R136 PolarHBondContact O-N 2.91Å; G134-E137 VanDerWaalsContact C-OE2 3.26Å; G134-E137 WeakPolarHBondContact CA-OE2 3.49Å; G134-E137 PolarHBondContact O-N 3.28Å; G134-L138 WeakPolarHBondContact O-CB 3.33Å; G134-L138 PolarHBondContact O-N 3.02Å
135	I	98.7	Very high	96.1	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-66.5	-34.5	-176.7	-167.9	52.6	0	0	0	112.5	F61 V67 L131 T132 V133 L138 V139 L167 F264	F61-I135 HydrophobicContact CD1-CD1 4.25Å; F61-I135 HydrophobicContact CE1-CD1 4.02Å; F61-I135 HydrophobicContact CZ-CD1 4.35Å; V67-I135 HydrophobicContact CB-CG1 4.35Å; V67-I135 HydrophobicContact CG1-CG1 4.09Å; V67-I135 HydrophobicContact CG2-CD1 4.13Å; V67-I135 HydrophobicContact CG2-CG1 4.06Å; L131-I135 HydrophobicContact CB-CG2 3.9Å; L131-I135 HydrophobicContact CD2-CG2 4.44Å; T132-I135 WeakPolarHBondContact O-CG2 3.41Å; T132-I135 PolarHBondContact O-N 3.39Å; V133-I135 PolarHBondContact O-N 2.85Å; I135-L138 HydrophobicContact CD1-CD2 4.21Å; I135-L138 PolarHBondContact O-N 2.97Å; I135-V139 HydrophobicContact CD1-CG2 4.01Å; I135-V139 HydrophobicContact CG1-CG2 4.25Å; I135-V139 WeakPolarHBondContact O-CB 3.26Å; I135-V139 VanDerWaalsContact O-CG2 3.31Å; I135-V139 WeakPolarHBondContact O-CG2 3.16Å; I135-V139 PolarHBondContact O-N 2.82Å; I135-L167 HydrophobicContact CG1-CD1 4.5Å; I135-L167 HydrophobicContact CG2-CD2 4.23Å; I135-F264 HydrophobicContact CB-CD2 3.73Å; I135-F264 HydrophobicContact CB-CE2 3.82Å; I135-F264 HydrophobicContact CD1-CD1 4.3Å; I135-F264 HydrophobicContact CD1-CD2 4.04Å; I135-F264 HydrophobicContact CD1-CE1 4.09Å; I135-F264 HydrophobicContact CD1-CE2 3.79Å; I135-F264 HydrophobicContact CD1-CG 4.29Å; I135-F264 HydrophobicContact CD1-CZ 3.83Å; I135-F264 HydrophobicContact CG1-CD2 4.36Å; I135-F264 HydrophobicContact CG1-CE2 4.1Å
136	R	98.4	Very high	96.3	Very high	112 Å²	112	61.7 Å²	61.7	42%	0.423	33%	0.33	S	S	.	.	H	α-helix	trans	-65	-45.6	179.6	179.8	-178.5	-67.7	-77.1	-5.7	110.6	G134 S140 L166 L167	G134-R136 VanDerWaalsContact C-N 3.32Å; G134-R136 PolarHBondContact O-N 2.91Å; R136-S140 VanDerWaalsContact O-CB 3.26Å; R136-S140 WeakPolarHBondContact O-CB 3.38Å; R136-S140 PolarHBondContact O-N 2.97Å; R136-L166 PolarHBondContact NH1-O 3.43Å; R136-L166 PolarHBondContact NH2-O 2.79Å; R136-L167 HydrophobicContact CB-CD2 4.28Å
137	E	98.5	Very high	96.6	Very high	100 Å²	100	57 Å²	57	47%	0.467	31%	0.306	S	S	.	.	H	α-helix	trans	-66.5	-41.9	178.7	-63.7	73.5	-164.5	0	0	110.8	G134 R141	G134-E137 VanDerWaalsContact C-OE2 3.26Å; G134-E137 WeakPolarHBondContact CA-OE2 3.49Å; G134-E137 PolarHBondContact O-N 3.28Å; E137-R141 WeakPolarHBondContact O-CB 3.48Å; E137-R141 PolarHBondContact O-N 2.86Å
138	L	98.8	Very high	97.2	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-51.8	175.7	174.5	57.7	0	0	0	112	W53 F61 G134 I135 S140 R141 L142 F264 L267 R268 L271	W53-L138 HydrophobicContact CH2-CD1 4.14Å; W53-L138 HydrophobicContact CZ2-CD1 3.8Å; F61-L138 HydrophobicContact CE1-CD2 4Å; F61-L138 HydrophobicContact CZ-CD2 3.86Å; F61-L138 HydrophobicContact CZ-CG 4.35Å; G134-L138 WeakPolarHBondContact O-CB 3.33Å; G134-L138 PolarHBondContact O-N 3.02Å; I135-L138 HydrophobicContact CD1-CD2 4.21Å; I135-L138 PolarHBondContact O-N 2.97Å; L138-S140 VanDerWaalsContact C-N 3.32Å; L138-S140 PolarHBondContact O-N 2.95Å; L138-R141 PolarHBondContact O-N 2.72Å; L138-R141 VanDerWaalsContact O-N 3.13Å; L138-L142 HydrophobicContact CD1-CD1 4.25Å; L138-L142 HydrophobicContact CD1-CG 4.32Å; L138-L142 HydrophobicContact CG-CD1 4.24Å; L138-L142 WeakPolarHBondContact O-CG 3.46Å; L138-L142 PolarHBondContact O-N 3.17Å; L138-F264 HydrophobicContact CB-CB 4.45Å; L138-F264 HydrophobicContact CD2-CB 4.03Å; L138-F264 HydrophobicContact CD2-CD1 3.47Å; L138-F264 VanDerWaalsContact CD2-CD1 3.47Å; L138-F264 HydrophobicContact CD2-CE1 4.19Å; L138-F264 HydrophobicContact CD2-CG 3.98Å; L138-L267 HydrophobicContact CD1-CB 4.11Å; L138-L267 HydrophobicContact CD2-CB 4.09Å; L138-L267 HydrophobicContact CD2-CD1 4.08Å; L138-R268 HydrophobicContact CB-CB 4.5Å; L138-R268 HydrophobicContact CD1-CB 4.15Å; L138-L271 HydrophobicContact CD1-CD1 3.97Å
139	V	98.8	Very high	97.7	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-41.2	179.1	171.5	0	0	0	0	110.9	I135 R141 L142 H143 V149 L167 I169	I135-V139 HydrophobicContact CD1-CG2 4.01Å; I135-V139 HydrophobicContact CG1-CG2 4.25Å; I135-V139 WeakPolarHBondContact O-CB 3.26Å; I135-V139 VanDerWaalsContact O-CG2 3.31Å; I135-V139 WeakPolarHBondContact O-CG2 3.16Å; I135-V139 PolarHBondContact O-N 2.82Å; V139-R141 VanDerWaalsContact C-N 3.29Å; V139-R141 PolarHBondContact O-N 2.88Å; V139-L142 PolarHBondContact O-N 3.44Å; V139-H143 VanDerWaalsContact CG1-CE1 3.49Å; V139-H143 WeakPolarHBondContact CG1-CE1 3.47Å; V139-H143 PolarHBondContact O-N 2.58Å; V139-V149 HydrophobicContact CG1-CG1 4.4Å; V139-V149 HydrophobicContact CG1-CG2 4.37Å; V139-V149 HydrophobicContact CG2-CG1 4.29Å; V139-L167 HydrophobicContact CG1-CB 4.24Å; V139-L167 HydrophobicContact CG2-CD1 4.46Å; V139-I169 HydrophobicContact CG1-CD1 4.31Å; V139-I169 HydrophobicContact CG1-CG1 4.22Å
140	S	98.5	Very high	98.2	Very high	76 Å²	76	47.8 Å²	47.8	53%	0.531	26%	0.259	S	S	.	.	H	α-helix	trans	-58.3	-42	174.2	-179.9	0	0	0	0	111.8	R136 L138 H143 A144	R136-S140 VanDerWaalsContact O-CB 3.26Å; R136-S140 WeakPolarHBondContact O-CB 3.38Å; R136-S140 PolarHBondContact O-N 2.97Å; L138-S140 VanDerWaalsContact C-N 3.32Å; L138-S140 PolarHBondContact O-N 2.95Å; S140-H143 PolarHBondContact O-N 2.77Å; S140-A144 WeakPolarHBondContact O-CB 3.44Å; S140-A144 PolarHBondContact O-N 2.89Å
141	R	98.2	Very high	98.4	Very high	79 Å²	79	43 Å²	43	30%	0.298	24%	0.238	S	C	.	.	H	α-helix	trans	-67.1	-41.4	177	-176.7	56.8	176.4	138.3	-2.2	112.5	E137 L138 V139 A144 R145 R268 L271 D272	E137-R141 WeakPolarHBondContact O-CB 3.48Å; E137-R141 PolarHBondContact O-N 2.86Å; L138-R141 PolarHBondContact O-N 2.72Å; L138-R141 VanDerWaalsContact O-N 3.13Å; V139-R141 VanDerWaalsContact C-N 3.29Å; V139-R141 PolarHBondContact O-N 2.88Å; R141-A144 PolarHBondContact O-N 3.35Å; R141-R145 WeakPolarHBondContact O-CG 3.35Å; R141-R145 PolarHBondContact O-N 3.06Å; R141-R145 VanDerWaalsContact O-N 3.14Å; R141-R268 HydrophobicContact CB-CG 4.21Å; R141-R268 HydrophobicContact CG-CG 4.44Å; R141-L271 HydrophobicContact CG-CB 4.47Å; R141-L271 HydrophobicContact CG-CD1 4.01Å; R141-D272 IonicContact CZ-OD1 2.77Å; R141-D272 IonicContact NE-OD1 2.76Å; R141-D272 PolarHBondContact NE-OD1 3.06Å; R141-D272 IonicContact NH2-OD1 2.7Å; R141-D272 PolarHBondContact NH2-OD1 3.33Å
142	L	98.5	Very high	98.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-45.7	174.7	-71.3	168.4	0	0	0	111.2	W53 V59 F61 L138 V139 A144 R145 G146 T147 V149 L271	W53-L142 HydrophobicContact CH2-CD1 4.13Å; W53-L142 HydrophobicContact CH2-CD2 4.02Å; W53-L142 HydrophobicContact CZ2-CD2 4.3Å; V59-L142 HydrophobicContact CB-CD1 4.33Å; V59-L142 HydrophobicContact CG2-CD1 4.27Å; V59-L142 HydrophobicContact CG2-CD2 4.01Å; F61-L142 HydrophobicContact CE2-CD1 3.76Å; F61-L142 HydrophobicContact CZ-CD1 3.87Å; L138-L142 HydrophobicContact CD1-CD1 4.25Å; L138-L142 HydrophobicContact CD1-CG 4.32Å; L138-L142 HydrophobicContact CG-CD1 4.24Å; L138-L142 WeakPolarHBondContact O-CG 3.46Å; L138-L142 PolarHBondContact O-N 3.17Å; V139-L142 PolarHBondContact O-N 3.44Å; L142-A144 PolarHBondContact O-N 3.36Å; L142-R145 PolarHBondContact O-N 3.21Å; L142-R145 VanDerWaalsContact O-N 3.11Å; L142-G146 PolarHBondContact O-N 2.7Å; L142-T147 HydrophobicContact CD2-CG2 3.99Å; L142-T147 WeakPolarHBondContact O-CB 3.45Å; L142-T147 PolarHBondContact O-N 2.97Å; L142-V149 HydrophobicContact CB-CG2 3.76Å; L142-V149 HydrophobicContact CD1-CG2 3.93Å; L142-V149 HydrophobicContact CG-CG2 4.5Å; L142-L271 HydrophobicContact CD2-CD1 3.66Å; L142-L271 HydrophobicContact CD2-CD2 4.3Å; L142-L271 HydrophobicContact CG-CD1 4.05Å
143	H	98.1	Very high	98.3	Very high	62 Å²	62	41.1 Å²	41.1	29%	0.287	23%	0.228	S	C	.	.	H	α-helix	trans	-60.3	-42.8	174.5	-70.1	167.4	0	0	0	112.4	V139 S140 R145 G146 L167 G168	V139-H143 VanDerWaalsContact CG1-CE1 3.49Å; V139-H143 WeakPolarHBondContact CG1-CE1 3.47Å; V139-H143 PolarHBondContact O-N 2.58Å; S140-H143 PolarHBondContact O-N 2.77Å; H143-R145 PolarHBondContact O-N 3.18Å; H143-G146 PolarHBondContact O-N 2.76Å; H143-L167 PolarHBondContact CE1-O 3.12Å; H143-G168 PolarHBondContact CE1-O 3.35Å
144	A	97.9	Very high	98.2	Very high	76 Å²	76	36.2 Å²	36.2	63%	0.628	20%	0.2	S	C	*	.	H	α-helix	trans	-62.8	-23.4	177.2	0	0	0	0	0	113.3	S140 R141 L142	S140-A144 WeakPolarHBondContact O-CB 3.44Å; S140-A144 PolarHBondContact O-N 2.89Å; R141-A144 PolarHBondContact O-N 3.35Å; L142-A144 PolarHBondContact O-N 3.36Å
145	R	96.9	Very high	98	Very high	97 Å²	97	35.9 Å²	35.9	37%	0.366	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-3.2	174.1	-66	171.4	65.8	82.8	1.5	113.3	R54 R141 L142 H143 T147 L271	R54-R145 PolarHBondContact O-NH2 2.87Å; R141-R145 WeakPolarHBondContact O-CG 3.35Å; R141-R145 PolarHBondContact O-N 3.06Å; R141-R145 VanDerWaalsContact O-N 3.14Å; L142-R145 PolarHBondContact O-N 3.21Å; L142-R145 VanDerWaalsContact O-N 3.11Å; H143-R145 PolarHBondContact O-N 3.18Å; R145-T147 PolarHBondContact O-N 3.1Å; R145-L271 PolarHBondContact NH1-O 3.25Å
146	G	97.4	Very high	97.9	Very high	55 Å²	55	36 Å²	36	57%	0.567	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	10.1	-173.9	0	0	0	0	0	114.1	L142 H143	L142-G146 PolarHBondContact O-N 2.7Å; H143-G146 PolarHBondContact O-N 2.76Å
147	T	98.4	Very high	97.9	Very high	11 Å²	11	33.3 Å²	33.3	7%	0.067	19%	0.187	C	C	.	.			trans	-73.3	130.4	176.2	-58.1	0	0	0	0	109.8	A56 V59 L142 R145	A56-T147 HydrophobicContact CB-CG2 4.49Å; A56-T147 WeakPolarHBondContact O-CG2 3.22Å; A56-T147 PolarHBondContact O-OG1 3.11Å; A56-T147 VanDerWaalsContact O-OG1 3.13Å; V59-T147 HydrophobicContact CG2-CG2 3.83Å; L142-T147 HydrophobicContact CD2-CG2 3.99Å; L142-T147 WeakPolarHBondContact O-CB 3.45Å; L142-T147 PolarHBondContact O-N 2.97Å; R145-T147 PolarHBondContact O-N 3.1Å
148	H	98.7	Very high	97.7	Very high	62 Å²	62	31.6 Å²	31.6	29%	0.287	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	128.4	176.8	-66.5	145.1	0	0	0	111.5	D57 A58 V59 Y150 R173 Y219	D57-H148 PolarHBondContact O-N 3.05Å; A58-H148 CarbonylContact C-O 3.59Å; A58-H148 WeakPolarHBondContact CA-O 3.3Å; A58-H148 HydrophobicContact CB-CB 4.21Å; V59-H148 PolarHBondContact N-O 2.9Å; H148-Y150 HydrophobicContact CB-CD2 4.47Å; H148-Y150 HydrophobicContact CB-CE2 3.74Å; H148-R173 PolarHBondContact CD2-NH2 2.98Å; H148-Y219 AromaticContact ND1-CE1 3.46Å; H148-Y219 WeakPolarHBondContact ND1-CE1 3.45Å; H148-Y219 AromaticContact ND1-CZ 3.41Å; H148-Y219 PolarHBondContact ND1-OH 3.02Å
149	V	98.9	Very high	97.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.7	179.7	-175.9	0	0	0	0	110	V59 F61 V139 L142 I169 R173	V59-V149 WeakPolarHBondContact O-CA 3.46Å; F61-V149 HydrophobicContact CD2-CG1 3.75Å; F61-V149 HydrophobicContact CE2-CG1 3.87Å; V139-V149 HydrophobicContact CG1-CG1 4.4Å; V139-V149 HydrophobicContact CG1-CG2 4.37Å; V139-V149 HydrophobicContact CG2-CG1 4.29Å; L142-V149 HydrophobicContact CB-CG2 3.76Å; L142-V149 HydrophobicContact CD1-CG2 3.93Å; L142-V149 HydrophobicContact CG-CG2 4.5Å; V149-I169 HydrophobicContact CB-CD1 4.39Å; V149-I169 HydrophobicContact CB-CG1 4.4Å; V149-I169 HydrophobicContact CG1-CD1 3.67Å; V149-I169 HydrophobicContact CG1-CG1 4.21Å; V149-R173 VanDerWaalsContact O-CD 3.26Å; V149-R173 WeakPolarHBondContact O-CD 3.45Å
150	Y	98.9	Very high	97.5	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.3	178.6	-67.3	-91.7	0	0	0	110.8	A58 V59 F61 H148 R173 Y175 L213 Y217 Y219	A58-Y150 HydrophobicContact CB-CD2 4.19Å; A58-Y150 HydrophobicContact CB-CE2 3.92Å; V59-Y150 PolarHBondContact O-N 2.94Å; F61-Y150 PolarHBondContact N-O 3.29Å; H148-Y150 HydrophobicContact CB-CD2 4.47Å; H148-Y150 HydrophobicContact CB-CE2 3.74Å; Y150-R173 WeakPolarHBondContact CA-O 3.47Å; Y150-R173 HydrophobicContact CD1-CB 3.53Å; Y150-R173 HydrophobicContact CD1-CG 3.95Å; Y150-R173 HydrophobicContact CE1-CB 3.78Å; Y150-R173 HydrophobicContact CE1-CG 3.64Å; Y150-R173 HydrophobicContact CG-CB 4.23Å; Y150-Y175 HydrophobicContact CD1-CD2 4.22Å; Y150-Y175 AromaticContact CD1-CE2 3.75Å; Y150-Y175 HydrophobicContact CD1-CE2 3.75Å; Y150-Y175 HydrophobicContact CE1-CE2 4.01Å; Y150-L213 HydrophobicContact CD1-CD1 3.79Å; Y150-L213 HydrophobicContact CD1-CD2 3.93Å; Y150-L213 HydrophobicContact CD2-CD1 4.04Å; Y150-L213 HydrophobicContact CE1-CD1 4.03Å; Y150-L213 HydrophobicContact CE1-CD2 3.36Å; Y150-L213 HydrophobicContact CE1-CG 4.34Å; Y150-L213 HydrophobicContact CE2-CD1 4.26Å; Y150-L213 HydrophobicContact CE2-CD2 4.38Å; Y150-L213 HydrophobicContact CG-CD1 3.81Å; Y150-Y217 WeakPolarHBondContact OH-CE2 3.43Å; Y150-Y219 AromaticContact CE2-CE2 3.9Å; Y150-Y219 HydrophobicContact CE2-CE2 3.9Å; Y150-Y219 PolarHBondContact OH-OH 3.41Å
151	L	98.9	Very high	97.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.8	167.8	-59.7	-177	0	0	0	108.2	F61 V63 V67 I160 V163 A164 I169 R173 I174 Y175	F61-L151 HydrophobicContact CB-CD2 4.22Å; V63-L151 HydrophobicContact CG2-CB 3.84Å; V63-L151 HydrophobicContact CG2-CD1 4.32Å; V63-L151 HydrophobicContact CG2-CD2 4.24Å; V63-L151 HydrophobicContact CG2-CG 4.35Å; V67-L151 HydrophobicContact CG2-CD2 4.05Å; L151-I160 HydrophobicContact CB-CG2 4.12Å; L151-I160 HydrophobicContact CD1-CG2 3.49Å; L151-I160 VanDerWaalsContact CD1-CG2 3.49Å; L151-I160 HydrophobicContact CG-CG2 4.46Å; L151-V163 HydrophobicContact CD1-CG1 4.27Å; L151-A164 HydrophobicContact CD1-CB 3.95Å; L151-I169 HydrophobicContact CD1-CD1 4.21Å; L151-I169 HydrophobicContact CD2-CD1 3.85Å; L151-I169 HydrophobicContact CG-CD1 3.92Å; L151-R173 PolarHBondContact N-O 3.33Å; L151-I174 CarbonylContact O-C 3.54Å; L151-I174 WeakPolarHBondContact O-CA 3.09Å; L151-Y175 PolarHBondContact O-N 2.98Å
152	V	98.7	Very high	97.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	104.2	-177.2	-172.2	0	0	0	0	108.6	C60 F61 Y175 T196 K206 V209	C60-V152 HydrophobicContact CB-CG2 3.85Å; F61-V152 PolarHBondContact O-N 2.83Å; V152-Y175 WeakPolarHBondContact CA-O 3.4Å; V152-T196 HydrophobicContact CG1-CG2 4.32Å; V152-K206 HydrophobicContact CG1-CB 4.17Å; V152-K206 HydrophobicContact CG1-CG 4Å; V152-K206 VanDerWaalsContact O-CE 3.31Å; V152-K206 WeakPolarHBondContact O-CE 3.09Å; V152-V209 HydrophobicContact CB-CG1 4.46Å; V152-V209 HydrophobicContact CG1-CB 3.86Å; V152-V209 HydrophobicContact CG1-CG1 3.77Å; V152-V209 HydrophobicContact CG1-CG2 4.02Å; V152-V209 HydrophobicContact CG2-CG1 3.79Å
153	S	97.4	Very high	97.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	149.3	-167	172.9	0	0	0	0	112.5	G155 Y175 A176 T196	S153-G155 PolarHBondContact OG-N 2.65Å; S153-Y175 PolarHBondContact N-O 3.41Å; S153-A176 WeakPolarHBondContact O-CA 3.44Å; S153-T196 VanDerWaalsContact O-CB 3.32Å; S153-T196 WeakPolarHBondContact O-CB 3.36Å; S153-T196 WeakPolarHBondContact O-CG2 3.09Å
154	G	94.5	Very high	97.3	Very high	13 Å²	13	25.4 Å²	25.4	13%	0.134	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-8.7	167	0	0	0	0	0	114.2	Y102 N177	Y102-G154 WeakPolarHBondContact OH-CA 3.04Å; Y102-G154 PolarHBondContact OH-O 2.93Å; G154-N177 PolarHBondContact O-ND2 3.01Å
155	G	95.1	Very high	97.2	Very high	6 Å²	6	29.3 Å²	29.3	6%	0.062	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-162.5	173.4	0	0	0	0	0	112.9	S153 N177	S153-G155 PolarHBondContact OG-N 2.65Å; G155-N177 WeakPolarHBondContact O-CB 3.44Å; G155-N177 PolarHBondContact O-N 3.33Å
156	F	96.9	Very high	97.2	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.013	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135	-173.8	-60.6	-75.3	0	0	0	113	I73 L106 L110 R158 L159 I160 N177 I179	I73-F156 HydrophobicContact CD1-CE2 3.64Å; I73-F156 HydrophobicContact CD1-CZ 4.28Å; I73-F156 HydrophobicContact CG1-CE2 4.25Å; L106-F156 HydrophobicContact CD1-CE2 4.4Å; L106-F156 HydrophobicContact CD1-CZ 3.74Å; L106-F156 HydrophobicContact CG-CZ 4.5Å; L110-F156 HydrophobicContact CD1-CE1 3.95Å; L110-F156 HydrophobicContact CD1-CZ 3.64Å; L110-F156 HydrophobicContact CD2-CE1 4.3Å; L110-F156 HydrophobicContact CD2-CE2 3.92Å; L110-F156 HydrophobicContact CD2-CZ 3.52Å; L110-F156 HydrophobicContact CG-CZ 3.79Å; F156-R158 PolarHBondContact O-N 3.43Å; F156-R158 VanDerWaalsContact O-N 3.15Å; F156-L159 HydrophobicContact CB-CD1 4.32Å; F156-L159 HydrophobicContact CB-CG 4.19Å; F156-L159 HydrophobicContact CD2-CD1 4.19Å; F156-L159 WeakPolarHBondContact O-CB 3.23Å; F156-L159 PolarHBondContact O-N 3.02Å; F156-I160 WeakPolarHBondContact O-CG1 3.45Å; F156-I160 PolarHBondContact O-N 3.36Å; F156-N177 CarbonylContact C-O 3.57Å; F156-N177 VanDerWaalsContact CA-O 3.25Å; F156-N177 WeakPolarHBondContact CA-O 3.4Å; F156-N177 HydrophobicContact CD1-CB 3.65Å; F156-N177 HydrophobicContact CE1-CB 3.74Å; F156-I179 HydrophobicContact CD1-CD1 3.99Å; F156-I179 HydrophobicContact CD1-CG1 3.37Å; F156-I179 HydrophobicContact CD2-CD1 4.08Å; F156-I179 HydrophobicContact CD2-CG1 4.38Å; F156-I179 HydrophobicContact CE1-CD1 4.19Å; F156-I179 HydrophobicContact CE1-CG1 3.57Å; F156-I179 HydrophobicContact CE2-CD1 4.26Å; F156-I179 HydrophobicContact CG-CD1 3.94Å; F156-I179 HydrophobicContact CG-CG1 3.83Å; F156-I179 HydrophobicContact CZ-CD1 4.34Å; F156-I179 HydrophobicContact CZ-CG1 4.17Å
157	R	97	Very high	97.3	Very high	55 Å²	55	26.2 Å²	26.2	21%	0.208	13%	0.13	C	C	.	.	H	α-helix	trans	-49.6	-44.6	-179.8	-174.6	179.2	-55.8	-69.9	-0.2	112.4	L159 I160 L161 I174 A176 N177 E178 E194	R157-L159 VanDerWaalsContact C-N 3.26Å; R157-L159 PolarHBondContact O-N 3.34Å; R157-I160 PolarHBondContact O-N 3Å; R157-I160 VanDerWaalsContact O-N 3.1Å; R157-L161 WeakPolarHBondContact O-CG 3.46Å; R157-L161 PolarHBondContact O-N 3.34Å; R157-I174 HydrophobicContact CG-CG2 4.3Å; R157-I174 PolarHBondContact NH1-O 3.35Å; R157-A176 HydrophobicContact CB-CB 4.18Å; R157-A176 PolarHBondContact NH2-O 2.96Å; R157-N177 PolarHBondContact N-O 3.31Å; R157-E178 WeakPolarHBondContact CB-OE2 3.42Å; R157-E178 WeakPolarHBondContact CD-OE2 3.47Å; R157-E178 IonicContact NE-OE2 3.78Å; R157-E194 IonicContact CZ-OE1 2.74Å; R157-E194 IonicContact NE-OE1 3.56Å; R157-E194 IonicContact NH2-OE1 2.77Å; R157-E194 PolarHBondContact NH2-OE1 2.83Å; R157-E194 IonicContact NH2-OE2 3.86Å
158	R	95.7	Very high	97.2	Very high	65 Å²	65	28.3 Å²	28.3	25%	0.245	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-34.5	-179.3	-162.5	69.6	-172.9	102.4	-4.2	113.4	L120 E121 V124 F156	L120-R158 HydrophobicContact CD2-CB 3.98Å; L120-R158 HydrophobicContact CD2-CG 3.92Å; L120-R158 HydrophobicContact CG-CB 4.44Å; L120-R158 HydrophobicContact CG-CG 4.06Å; E121-R158 IonicContact OE1-CZ 2.8Å; E121-R158 VanDerWaalsContact OE1-CZ 3.24Å; E121-R158 IonicContact OE1-NE 2.81Å; E121-R158 PolarHBondContact OE1-NE 2.72Å; E121-R158 IonicContact OE1-NH2 3.59Å; E121-R158 PolarHBondContact OE1-NH2 3.38Å; E121-R158 IonicContact OE2-CZ 2.73Å; E121-R158 IonicContact OE2-NE 3.85Å; E121-R158 IonicContact OE2-NH2 3.58Å; E121-R158 PolarHBondContact OE2-NH2 2.96Å; V124-R158 HydrophobicContact CG2-CG 4.17Å; F156-R158 PolarHBondContact O-N 3.43Å; F156-R158 VanDerWaalsContact O-N 3.15Å
159	L	96.1	Very high	97.2	Very high	22 Å²	22	25.8 Å²	25.8	12%	0.115	14%	0.141	C	C	.	.	H	α-helix	trans	-77.6	-27.5	177.6	-56.7	-175.2	0	0	0	112.5	G72 L76 L120 F123 V124 F156 R157 P162	G72-L159 WeakPolarHBondContact O-CD1 3.43Å; L76-L159 HydrophobicContact CD2-CD1 4.45Å; L120-L159 HydrophobicContact CD1-CD2 3.58Å; L120-L159 HydrophobicContact CD1-CG 4.4Å; F123-L159 HydrophobicContact CD1-CD2 3.68Å; F123-L159 HydrophobicContact CE1-CD2 3.69Å; V124-L159 HydrophobicContact CG2-CD2 3.7Å; F156-L159 HydrophobicContact CB-CD1 4.32Å; F156-L159 HydrophobicContact CB-CG 4.19Å; F156-L159 HydrophobicContact CD2-CD1 4.19Å; F156-L159 WeakPolarHBondContact O-CB 3.23Å; F156-L159 PolarHBondContact O-N 3.02Å; R157-L159 VanDerWaalsContact C-N 3.26Å; R157-L159 PolarHBondContact O-N 3.34Å; L159-P162 WeakPolarHBondContact O-CD 2.91Å
160	I	97.6	Very high	97.2	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-85.8	-23.5	-177.3	-62	163.7	0	0	0	111.7	V63 L151 F156 R157 V163 A164 I174 A176	V63-I160 HydrophobicContact CB-CG1 4.45Å; V63-I160 HydrophobicContact CG1-CG1 4.16Å; V63-I160 HydrophobicContact CG2-CD1 4.16Å; V63-I160 HydrophobicContact CG2-CG1 4.22Å; V63-I160 HydrophobicContact CG2-CG2 4Å; L151-I160 HydrophobicContact CB-CG2 4.12Å; L151-I160 HydrophobicContact CD1-CG2 3.49Å; L151-I160 VanDerWaalsContact CD1-CG2 3.49Å; L151-I160 HydrophobicContact CG-CG2 4.46Å; F156-I160 WeakPolarHBondContact O-CG1 3.45Å; F156-I160 PolarHBondContact O-N 3.36Å; R157-I160 PolarHBondContact O-N 3Å; R157-I160 VanDerWaalsContact O-N 3.1Å; I160-V163 WeakPolarHBondContact O-CA 3.34Å; I160-V163 VanDerWaalsContact O-CB 3.25Å; I160-V163 WeakPolarHBondContact O-CB 3.48Å; I160-V163 PolarHBondContact O-N 2.86Å; I160-A164 PolarHBondContact O-N 3.35Å; I160-I174 HydrophobicContact CB-CG2 4.31Å; I160-I174 HydrophobicContact CG2-CD1 4.35Å; I160-I174 HydrophobicContact CG2-CG1 4.49Å; I160-I174 HydrophobicContact CG2-CG2 3.89Å; I160-A176 HydrophobicContact CD1-CB 3.47Å; I160-A176 VanDerWaalsContact CD1-CB 3.47Å
161	L	96.6	Very high	97.1	Very high	31 Å²	31	38.1 Å²	38.1	16%	0.162	20%	0.197	C	C	.	.	H	α-helix	trans	-53	-46.8	-179	-81.3	170.1	0	0	0	114.2	R157 V163 A164 E165 K171 I174	R157-L161 WeakPolarHBondContact O-CG 3.46Å; R157-L161 PolarHBondContact O-N 3.34Å; L161-V163 VanDerWaalsContact C-N 3.29Å; L161-V163 PolarHBondContact O-N 3.13Å; L161-A164 PolarHBondContact O-N 3.28Å; L161-E165 PolarHBondContact O-N 3.43Å; L161-K171 HydrophobicContact CD2-CB 4.12Å; L161-K171 HydrophobicContact CD2-CD 3.72Å; L161-K171 HydrophobicContact CD2-CG 3.6Å; L161-I174 HydrophobicContact CD2-CD1 3.73Å; L161-I174 HydrophobicContact CG-CD1 4.34Å
162	P	96.1	Very high	97.1	Very high	25 Å²	25	41.5 Å²	41.5	16%	0.162	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-33.4	175.7	-21	32.6	0	0	0	113.3	V124 P129 L159 E165 L166	V124-P162 HydrophobicContact CG1-CG 3.7Å; P129-P162 HydrophobicContact CG-CB 3.87Å; L159-P162 WeakPolarHBondContact O-CD 2.91Å; P162-E165 PolarHBondContact O-N 3.29Å; P162-L166 VanDerWaalsContact O-CG 3.27Å; P162-L166 WeakPolarHBondContact O-CG 3.49Å; P162-L166 PolarHBondContact O-N 3.12Å
163	V	97.2	Very high	97.1	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.024	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-49.3	175.2	-177.9	0	0	0	0	109.9	V67 C68 P129 L131 L151 I160 L161 E165 L166 L167	V67-V163 HydrophobicContact CG1-CG1 3.5Å; C68-V163 VanDerWaalsContact SG-CG2 3.52Å; P129-V163 HydrophobicContact CB-CG2 3.64Å; P129-V163 HydrophobicContact CG-CG2 3.76Å; L131-V163 HydrophobicContact CD2-CG1 3.89Å; L151-V163 HydrophobicContact CD1-CG1 4.27Å; I160-V163 WeakPolarHBondContact O-CA 3.34Å; I160-V163 VanDerWaalsContact O-CB 3.25Å; I160-V163 WeakPolarHBondContact O-CB 3.48Å; I160-V163 PolarHBondContact O-N 2.86Å; L161-V163 VanDerWaalsContact C-N 3.29Å; L161-V163 PolarHBondContact O-N 3.13Å; V163-E165 VanDerWaalsContact C-N 3.34Å; V163-E165 PolarHBondContact O-N 3.27Å; V163-L166 PolarHBondContact O-N 2.96Å; V163-L167 HydrophobicContact CG1-CD1 4Å; V163-L167 WeakPolarHBondContact O-CG 3.47Å; V163-L167 PolarHBondContact O-N 3.12Å; V163-L167 VanDerWaalsContact O-N 3.13Å
164	A	97.8	Very high	97.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-43.2	179	0	0	0	0	0	111.7	L151 I160 L161 L166 L167 G168 I169 I174	L151-A164 HydrophobicContact CD1-CB 3.95Å; I160-A164 PolarHBondContact O-N 3.35Å; L161-A164 PolarHBondContact O-N 3.28Å; A164-L166 PolarHBondContact O-N 3.49Å; A164-L167 CarbonylContact O-C 3.49Å; A164-L167 PolarHBondContact O-N 3.18Å; A164-L167 VanDerWaalsContact O-N 3.14Å; A164-G168 PolarHBondContact O-N 3.36Å; A164-I169 HydrophobicContact CB-CB 4.11Å; A164-I169 HydrophobicContact CB-CG2 4.49Å; A164-I169 PolarHBondContact O-N 2.95Å; A164-I174 HydrophobicContact CB-CD1 3.6Å; A164-I174 HydrophobicContact CB-CG1 4.14Å
165	E	96.9	Very high	97.3	Very high	159 Å²	159	44.3 Å²	44.3	74%	0.743	23%	0.228	S	C	*	.	H	α-helix	trans	-59.9	-46.1	176.6	-177.3	172.4	-172.5	0	0	111.8	L161 P162 V163 L167 G168	L161-E165 PolarHBondContact O-N 3.43Å; P162-E165 PolarHBondContact O-N 3.29Å; V163-E165 VanDerWaalsContact C-N 3.34Å; V163-E165 PolarHBondContact O-N 3.27Å; E165-L167 PolarHBondContact O-N 3.28Å; E165-G168 PolarHBondContact O-N 3.47Å
166	L	96.9	Very high	97.5	Very high	74 Å²	74	44 Å²	44	39%	0.387	23%	0.225	S	C	.	.	H	α-helix	trans	-61.3	-29.4	176.8	-73.7	173	0	0	0	113	P129 L131 R136 P162 V163 A164	P129-L166 HydrophobicContact CB-CD1 4.41Å; P129-L166 HydrophobicContact CG-CD1 4.15Å; L131-L166 HydrophobicContact CD1-CB 4.23Å; L131-L166 HydrophobicContact CD1-CD1 4.36Å; R136-L166 PolarHBondContact NH1-O 3.43Å; R136-L166 PolarHBondContact NH2-O 2.79Å; P162-L166 VanDerWaalsContact O-CG 3.27Å; P162-L166 WeakPolarHBondContact O-CG 3.49Å; P162-L166 PolarHBondContact O-N 3.12Å; V163-L166 PolarHBondContact O-N 2.96Å; A164-L166 PolarHBondContact O-N 3.49Å
167	L	98.3	Very high	97.5	Very high	13 Å²	13	43.9 Å²	43.9	7%	0.068	22%	0.224	C	C	.	.	H	α-helix	trans	-96.5	-1.9	-178.5	-63.7	176.1	0	0	0	113.5	V67 L131 I135 R136 V139 H143 V163 A164 E165 I169	V67-L167 HydrophobicContact CG1-CD1 3.59Å; L131-L167 HydrophobicContact CD1-CD2 4.03Å; L131-L167 HydrophobicContact CD2-CD1 4.46Å; L131-L167 HydrophobicContact CD2-CG 4.49Å; I135-L167 HydrophobicContact CG1-CD1 4.5Å; I135-L167 HydrophobicContact CG2-CD2 4.23Å; R136-L167 HydrophobicContact CB-CD2 4.28Å; V139-L167 HydrophobicContact CG1-CB 4.24Å; V139-L167 HydrophobicContact CG2-CD1 4.46Å; H143-L167 PolarHBondContact CE1-O 3.12Å; V163-L167 HydrophobicContact CG1-CD1 4Å; V163-L167 WeakPolarHBondContact O-CG 3.47Å; V163-L167 PolarHBondContact O-N 3.12Å; V163-L167 VanDerWaalsContact O-N 3.13Å; A164-L167 CarbonylContact O-C 3.49Å; A164-L167 PolarHBondContact O-N 3.18Å; A164-L167 VanDerWaalsContact O-N 3.14Å; E165-L167 PolarHBondContact O-N 3.28Å; L167-I169 VanDerWaalsContact C-N 3.29Å; L167-I169 HydrophobicContact CB-CD1 3.8Å; L167-I169 HydrophobicContact CB-CG1 3.95Å; L167-I169 HydrophobicContact CD1-CD1 4.05Å; L167-I169 PolarHBondContact O-N 3.03Å
168	G	98.1	Very high	97.5	Very high	54 Å²	54	43.9 Å²	43.9	56%	0.557	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	29.9	-175.7	0	0	0	0	0	113.3	H143 A164 E165	H143-G168 PolarHBondContact CE1-O 3.35Å; A164-G168 PolarHBondContact O-N 3.36Å; E165-G168 PolarHBondContact O-N 3.47Å
169	I	98.6	Very high	97.6	Very high	9 Å²	9	41 Å²	41	5%	0.046	22%	0.216	C	C	.	.			trans	-93.5	129.3	177.7	-61.5	169.7	0	0	0	108.8	V139 V149 L151 A164 L167 R173	V139-I169 HydrophobicContact CG1-CD1 4.31Å; V139-I169 HydrophobicContact CG1-CG1 4.22Å; V149-I169 HydrophobicContact CB-CD1 4.39Å; V149-I169 HydrophobicContact CB-CG1 4.4Å; V149-I169 HydrophobicContact CG1-CD1 3.67Å; V149-I169 HydrophobicContact CG1-CG1 4.21Å; L151-I169 HydrophobicContact CD1-CD1 4.21Å; L151-I169 HydrophobicContact CD2-CD1 3.85Å; L151-I169 HydrophobicContact CG-CD1 3.92Å; A164-I169 HydrophobicContact CB-CB 4.11Å; A164-I169 HydrophobicContact CB-CG2 4.49Å; A164-I169 PolarHBondContact O-N 2.95Å; L167-I169 VanDerWaalsContact C-N 3.29Å; L167-I169 HydrophobicContact CB-CD1 3.8Å; L167-I169 HydrophobicContact CB-CG1 3.95Å; L167-I169 HydrophobicContact CD1-CD1 4.05Å; L167-I169 PolarHBondContact O-N 3.03Å; I169-R173 HydrophobicContact CG2-CB 3.99Å
170	E	97.8	Very high	97.7	Very high	104 Å²	104	43.1 Å²	43.1	49%	0.486	23%	0.227	S	C	.	.			trans	-63.2	143.5	179.5	-63.9	176.4	168.7	0	0	111.9	S172 R173	E170-S172 WeakPolarHBondContact CB-OG 3.39Å; E170-S172 PolarHBondContact O-N 3.48Å; E170-S172 VanDerWaalsContact O-N 3.14Å; E170-S172 PolarHBondContact OE2-OG 3.19Å; E170-R173 HydrophobicContact CB-CG 4.27Å; E170-R173 WeakPolarHBondContact O-CB 3.2Å; E170-R173 PolarHBondContact O-N 3.11Å; E170-R173 IonicContact OE1-NH2 3.28Å; E170-R173 IonicContact OE2-CZ 3.1Å; E170-R173 IonicContact OE2-NE 2.69Å; E170-R173 PolarHBondContact OE2-NE 2.91Å; E170-R173 IonicContact OE2-NH2 2.71Å; E170-R173 PolarHBondContact OE2-NH2 3.22Å
171	K	97.6	Very high	97.7	Very high	157 Å²	157	45.3 Å²	45.3	68%	0.683	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-58.3	-30	178.7	-59.9	-173.8	179.1	179.2	0	113.2	L161 R173 I174	L161-K171 HydrophobicContact CD2-CB 4.12Å; L161-K171 HydrophobicContact CD2-CD 3.72Å; L161-K171 HydrophobicContact CD2-CG 3.6Å; K171-R173 PolarHBondContact O-N 3.45Å; K171-I174 PolarHBondContact O-N 2.92Å
172	S	97.5	Very high	97.8	Very high	72 Å²	72	46.3 Å²	46.3	50%	0.503	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-66.7	-16.2	175.4	51.2	0	0	0	0	113.6	E170	E170-S172 WeakPolarHBondContact CB-OG 3.39Å; E170-S172 PolarHBondContact O-N 3.48Å; E170-S172 VanDerWaalsContact O-N 3.14Å; E170-S172 PolarHBondContact OE2-OG 3.19Å
173	R	98.6	Very high	97.8	Very high	38 Å²	38	54 Å²	54	14%	0.143	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-100.4	16.3	-179.6	-59.4	-174.4	-171.8	163.4	1.1	113.1	H148 V149 Y150 L151 I169 E170 K171	H148-R173 PolarHBondContact CD2-NH2 2.98Å; V149-R173 VanDerWaalsContact O-CD 3.26Å; V149-R173 WeakPolarHBondContact O-CD 3.45Å; Y150-R173 WeakPolarHBondContact CA-O 3.47Å; Y150-R173 HydrophobicContact CD1-CB 3.53Å; Y150-R173 HydrophobicContact CD1-CG 3.95Å; Y150-R173 HydrophobicContact CE1-CB 3.78Å; Y150-R173 HydrophobicContact CE1-CG 3.64Å; Y150-R173 HydrophobicContact CG-CB 4.23Å; L151-R173 PolarHBondContact N-O 3.33Å; I169-R173 HydrophobicContact CG2-CB 3.99Å; E170-R173 HydrophobicContact CB-CG 4.27Å; E170-R173 WeakPolarHBondContact O-CB 3.2Å; E170-R173 PolarHBondContact O-N 3.11Å; E170-R173 IonicContact OE1-NH2 3.28Å; E170-R173 IonicContact OE2-CZ 3.1Å; E170-R173 IonicContact OE2-NE 2.69Å; E170-R173 PolarHBondContact OE2-NE 2.91Å; E170-R173 IonicContact OE2-NH2 2.71Å; E170-R173 PolarHBondContact OE2-NH2 3.22Å; K171-R173 PolarHBondContact O-N 3.45Å
174	I	98.6	Very high	97.8	Very high	3 Å²	3	61 Å²	61	2%	0.015	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.9	173	-55.6	172	0	0	0	108	L151 R157 I160 L161 A164 K171 A176	L151-I174 CarbonylContact O-C 3.54Å; L151-I174 WeakPolarHBondContact O-CA 3.09Å; R157-I174 HydrophobicContact CG-CG2 4.3Å; R157-I174 PolarHBondContact NH1-O 3.35Å; I160-I174 HydrophobicContact CB-CG2 4.31Å; I160-I174 HydrophobicContact CG2-CD1 4.35Å; I160-I174 HydrophobicContact CG2-CG1 4.49Å; I160-I174 HydrophobicContact CG2-CG2 3.89Å; L161-I174 HydrophobicContact CD2-CD1 3.73Å; L161-I174 HydrophobicContact CG-CD1 4.34Å; A164-I174 HydrophobicContact CB-CD1 3.6Å; A164-I174 HydrophobicContact CB-CG1 4.14Å; K171-I174 PolarHBondContact O-N 2.92Å; I174-A176 HydrophobicContact CG2-CB 4.13Å
175	Y	98.6	Very high	97.8	Very high	31 Å²	31	61.9 Å²	61.9	12%	0.122	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	109.2	170.9	-68	-94.5	0	0	0	107.9	Y150 L151 V152 S153 V209 L212 L213	Y150-Y175 HydrophobicContact CD1-CD2 4.22Å; Y150-Y175 AromaticContact CD1-CE2 3.75Å; Y150-Y175 HydrophobicContact CD1-CE2 3.75Å; Y150-Y175 HydrophobicContact CE1-CE2 4.01Å; L151-Y175 PolarHBondContact O-N 2.98Å; V152-Y175 WeakPolarHBondContact CA-O 3.4Å; S153-Y175 PolarHBondContact N-O 3.41Å; Y175-V209 HydrophobicContact CD1-CG1 3.75Å; Y175-V209 HydrophobicContact CD1-CG2 4.13Å; Y175-V209 HydrophobicContact CD2-CG1 3.72Å; Y175-V209 HydrophobicContact CE1-CG1 4.29Å; Y175-V209 HydrophobicContact CE2-CG1 4.29Å; Y175-V209 HydrophobicContact CG-CB 4.49Å; Y175-V209 HydrophobicContact CG-CG1 3.43Å; Y175-V209 VanDerWaalsContact CG-CG1 3.43Å; Y175-V209 HydrophobicContact CG-CG2 4.22Å; Y175-L212 HydrophobicContact CE1-CD2 3.97Å; Y175-L213 HydrophobicContact CE2-CD1 4.28Å; Y175-L213 HydrophobicContact CE2-CD2 3.72Å; Y175-L213 HydrophobicContact CE2-CG 4.28Å; Y175-L213 VanDerWaalsContact OH-CD2 3.31Å; Y175-L213 WeakPolarHBondContact OH-CD2 3.32Å
176	A	98.2	Very high	97.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	167.1	-171.1	0	0	0	0	0	110.1	S153 R157 I160 I174 T196	S153-A176 WeakPolarHBondContact O-CA 3.44Å; R157-A176 HydrophobicContact CB-CB 4.18Å; R157-A176 PolarHBondContact NH2-O 2.96Å; I160-A176 HydrophobicContact CD1-CB 3.47Å; I160-A176 VanDerWaalsContact CD1-CB 3.47Å; I174-A176 HydrophobicContact CG2-CB 4.13Å; A176-T196 WeakPolarHBondContact CA-OG1 3.46Å
177	N	98.1	Very high	97.8	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	156	177.3	-68.9	-56.4	0	0	0	111.7	G154 G155 F156 R157 T196 S197	G154-N177 PolarHBondContact O-ND2 3.01Å; G155-N177 WeakPolarHBondContact O-CB 3.44Å; G155-N177 PolarHBondContact O-N 3.33Å; F156-N177 CarbonylContact C-O 3.57Å; F156-N177 VanDerWaalsContact CA-O 3.25Å; F156-N177 WeakPolarHBondContact CA-O 3.4Å; F156-N177 HydrophobicContact CD1-CB 3.65Å; F156-N177 HydrophobicContact CE1-CB 3.74Å; R157-N177 PolarHBondContact N-O 3.31Å; N177-T196 PolarHBondContact N-OG1 3.49Å; N177-T196 PolarHBondContact ND2-O 2.95Å; N177-T196 PolarHBondContact OD1-O 3.15Å; N177-S197 WeakPolarHBondContact OD1-CA 3.48Å; N177-S197 WeakPolarHBondContact OD1-CB 3.4Å; N177-S197 PolarHBondContact OD1-N 2.89Å
178	E	97.3	Very high	97.8	Very high	55 Å²	55	64.6 Å²	64.6	26%	0.257	32%	0.319	S	S	.	.			trans	-119.7	130.4	176.6	-169.5	61.3	-142.8	0	0	110.2	R157 F190 D191	R157-E178 WeakPolarHBondContact CB-OE2 3.42Å; R157-E178 WeakPolarHBondContact CD-OE2 3.47Å; R157-E178 IonicContact NE-OE2 3.78Å; E178-F190 CarbonylContact O-C 3.55Å; E178-F190 WeakPolarHBondContact O-CA 3.4Å; E178-F190 WeakPolarHBondContact O-CB 3.49Å; E178-D191 HydrophobicContact CB-CB 4.06Å; E178-D191 PolarHBondContact O-N 2.87Å
179	I	97.5	Very high	97.7	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	130.6	173.4	-58.2	179.6	0	0	0	107.9	L110 P115 L120 F156 F181 Y187	L110-I179 HydrophobicContact CD2-CD1 4.1Å; L110-I179 HydrophobicContact CD2-CG1 4.44Å; P115-I179 HydrophobicContact CG-CD1 4.1Å; L120-I179 HydrophobicContact CD2-CD1 4.3Å; F156-I179 HydrophobicContact CD1-CD1 3.99Å; F156-I179 HydrophobicContact CD1-CG1 3.37Å; F156-I179 HydrophobicContact CD2-CD1 4.08Å; F156-I179 HydrophobicContact CD2-CG1 4.38Å; F156-I179 HydrophobicContact CE1-CD1 4.19Å; F156-I179 HydrophobicContact CE1-CG1 3.57Å; F156-I179 HydrophobicContact CE2-CD1 4.26Å; F156-I179 HydrophobicContact CG-CD1 3.94Å; F156-I179 HydrophobicContact CG-CG1 3.83Å; F156-I179 HydrophobicContact CZ-CD1 4.34Å; F156-I179 HydrophobicContact CZ-CG1 4.17Å; I179-F181 HydrophobicContact CB-CE2 4.2Å; I179-F181 HydrophobicContact CB-CZ 4.12Å; I179-F181 HydrophobicContact CG2-CE1 3.95Å; I179-F181 HydrophobicContact CG2-CE2 4.01Å; I179-F181 HydrophobicContact CG2-CZ 3.6Å; I179-Y187 HydrophobicContact CG2-CD2 3.93Å; I179-Y187 HydrophobicContact CG2-CE2 4.12Å
180	L	97.8	Very high	97.7	Very high	66 Å²	66	63.4 Å²	63.4	35%	0.346	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	141.8	179.4	-59.7	178.9	0	0	0	110.3	H188 G189 D191	L180-H188 WeakPolarHBondContact O-CA 3.46Å; L180-H188 PolarHBondContact O-N 2.92Å; L180-G189 PolarHBondContact N-O 3.47Å; L180-D191 HydrophobicContact CD1-CB 4.48Å; L180-D191 HydrophobicContact CD2-CB 4.3Å; L180-D191 HydrophobicContact CG-CB 4.48Å
181	F	98.1	Very high	97.6	Very high	50 Å²	50	60.6 Å²	60.6	22%	0.219	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.9	176.6	-57.1	-80.3	0	0	0	110.5	P115 N116 H117 L120 I179 G185 K186	P115-F181 WeakPolarHBondContact O-CE1 3.49Å; N116-F181 VanDerWaalsContact C-CE1 3.42Å; H117-F181 HydrophobicContact CB-CD1 3.9Å; H117-F181 HydrophobicContact CB-CD2 4.16Å; H117-F181 HydrophobicContact CB-CE1 4.07Å; H117-F181 HydrophobicContact CB-CE2 4.33Å; H117-F181 HydrophobicContact CB-CG 3.94Å; H117-F181 HydrophobicContact CB-CZ 4.28Å; H117-F181 AromaticContact CD2-CD2 3.84Å; H117-F181 AromaticContact CD2-CE2 3.94Å; L120-F181 HydrophobicContact CB-CZ 4.37Å; L120-F181 HydrophobicContact CD2-CE2 4.03Å; L120-F181 HydrophobicContact CD2-CZ 3.71Å; I179-F181 HydrophobicContact CB-CE2 4.2Å; I179-F181 HydrophobicContact CB-CZ 4.12Å; I179-F181 HydrophobicContact CG2-CE1 3.95Å; I179-F181 HydrophobicContact CG2-CE2 4.01Å; I179-F181 HydrophobicContact CG2-CZ 3.6Å; F181-G185 WeakPolarHBondContact CD1-O 3.45Å; F181-K186 CarbonylContact C-O 3.33Å; F181-K186 VanDerWaalsContact CA-O 3.26Å; F181-K186 WeakPolarHBondContact CA-O 3.33Å
182	D	97.9	Very high	97.5	Very high	53 Å²	53	56.8 Å²	56.8	28%	0.283	28%	0.282	S	S	.	.			trans	-74.7	176.7	169.8	76.1	7.2	0	0	0	111.4	F184 G185 K186 H188	D182-F184 PolarHBondContact O-N 3.31Å; D182-F184 VanDerWaalsContact OD1-C 3.31Å; D182-F184 VanDerWaalsContact OD1-CA 3.3Å; D182-F184 WeakPolarHBondContact OD1-CA 3.42Å; D182-F184 WeakPolarHBondContact OD1-CB 3.26Å; D182-F184 PolarHBondContact OD1-N 3.41Å; D182-G185 PolarHBondContact O-N 2.96Å; D182-G185 PolarHBondContact OD1-N 3.33Å; D182-G185 VanDerWaalsContact OD1-N 3.09Å; D182-K186 PolarHBondContact N-O 2.84Å; D182-K186 PolarHBondContact OD1-N 3.15Å; D182-H188 HydrophobicContact CB-CB 4.42Å
183	K	96.7	Very high	97.4	Very high	186 Å²	186	57.8 Å²	57.8	81%	0.809	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-11.5	178.7	68	-179.4	-179.1	179.1	0	114.9
184	F	96.8	Very high	97.3	Very high	152 Å²	152	58 Å²	58	67%	0.667	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	8	177.2	-54.8	-69.6	0	0	0	112.1	D182 K186	D182-F184 PolarHBondContact O-N 3.31Å; D182-F184 VanDerWaalsContact OD1-C 3.31Å; D182-F184 VanDerWaalsContact OD1-CA 3.3Å; D182-F184 WeakPolarHBondContact OD1-CA 3.42Å; D182-F184 WeakPolarHBondContact OD1-CB 3.26Å; D182-F184 PolarHBondContact OD1-N 3.41Å; F184-K186 VanDerWaalsContact C-N 3.3Å; F184-K186 PolarHBondContact O-N 3.05Å
185	G	97.3	Very high	97.2	Very high	19 Å²	19	60.6 Å²	60.6	20%	0.196	31%	0.305	C	S	.	.	S	Bend	trans	76	12.3	-179.6	0	0	0	0	0	114.2	N116 H117 F181 D182	N116-G185 CarbonylContact C-O 3.56Å; N116-G185 WeakPolarHBondContact CA-O 3.46Å; N116-G185 VanDerWaalsContact CB-O 3.32Å; N116-G185 WeakPolarHBondContact CB-O 3.41Å; H117-G185 PolarHBondContact N-O 2.93Å; F181-G185 WeakPolarHBondContact CD1-O 3.45Å; D182-G185 PolarHBondContact O-N 2.96Å; D182-G185 PolarHBondContact OD1-N 3.33Å; D182-G185 VanDerWaalsContact OD1-N 3.09Å
186	K	97.8	Very high	97.1	Very high	133 Å²	133	59.3 Å²	59.3	58%	0.578	30%	0.3	S	S	*	.			trans	-83.1	146.5	176.6	-64.3	179.8	177.4	179.2	0	110.6	F181 D182 F184 H188	F181-K186 CarbonylContact C-O 3.33Å; F181-K186 VanDerWaalsContact CA-O 3.26Å; F181-K186 WeakPolarHBondContact CA-O 3.33Å; D182-K186 PolarHBondContact N-O 2.84Å; D182-K186 PolarHBondContact OD1-N 3.15Å; F184-K186 VanDerWaalsContact C-N 3.3Å; F184-K186 PolarHBondContact O-N 3.05Å; K186-H188 PolarHBondContact O-N 3.33Å
187	Y	97.8	Very high	96.8	Very high	40 Å²	40	59.3 Å²	59.3	16%	0.157	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.2	127.5	174.1	177.3	-110.3	0	0	0	111.9	L110 K114 P115 I179 G189	L110-Y187 HydrophobicContact CB-CE2 4.04Å; L110-Y187 WeakPolarHBondContact CB-OH 3.31Å; L110-Y187 HydrophobicContact CD1-CE2 4.32Å; L110-Y187 HydrophobicContact CD2-CE2 4.45Å; K114-Y187 HydrophobicContact CB-CD1 4.12Å; K114-Y187 HydrophobicContact CB-CG 4.27Å; K114-Y187 HydrophobicContact CG-CD1 3.82Å; K114-Y187 HydrophobicContact CG-CE1 4.34Å; K114-Y187 HydrophobicContact CG-CG 4.46Å; P115-Y187 WeakPolarHBondContact O-CB 3.47Å; I179-Y187 HydrophobicContact CG2-CD2 3.93Å; I179-Y187 HydrophobicContact CG2-CE2 4.12Å; Y187-G189 VanDerWaalsContact CE2-O 3.23Å; Y187-G189 WeakPolarHBondContact CE2-O 3.43Å; Y187-G189 VanDerWaalsContact CZ-CA 3.44Å; Y187-G189 WeakPolarHBondContact OH-CA 3.08Å
188	H	97.4	Very high	96.5	Very high	129 Å²	129	59.8 Å²	59.8	60%	0.597	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	32.3	-178.9	-163.3	69.2	0	0	0	112.2	L180 D182 K186	L180-H188 WeakPolarHBondContact O-CA 3.46Å; L180-H188 PolarHBondContact O-N 2.92Å; D182-H188 HydrophobicContact CB-CB 4.42Å; K186-H188 PolarHBondContact O-N 3.33Å
189	G	96.8	Very high	96.1	Very high	19 Å²	19	58.5 Å²	58.5	20%	0.196	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	93.7	-156.8	-178.6	0	0	0	0	0	113	L180 Y187	L180-G189 PolarHBondContact N-O 3.47Å; Y187-G189 VanDerWaalsContact CE2-O 3.23Å; Y187-G189 WeakPolarHBondContact CE2-O 3.43Å; Y187-G189 VanDerWaalsContact CZ-CA 3.44Å; Y187-G189 WeakPolarHBondContact OH-CA 3.08Å
190	F	97.1	Very high	95.6	Very high	19 Å²	19	61 Å²	61	8%	0.083	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	158.5	175.8	64.7	-79.7	0	0	0	109.1	R103 L106 A107 L110 E178 T192	R103-F190 HydrophobicContact CG-CE2 4.36Å; R103-F190 HydrophobicContact CG-CZ 3.89Å; L106-F190 HydrophobicContact CD2-CD2 4.12Å; L106-F190 HydrophobicContact CD2-CE2 3.86Å; L106-F190 HydrophobicContact CD2-CZ 4.26Å; L106-F190 HydrophobicContact CG-CZ 4.48Å; A107-F190 HydrophobicContact CB-CE1 3.79Å; A107-F190 HydrophobicContact CB-CZ 4.3Å; L110-F190 HydrophobicContact CD1-CB 3.8Å; L110-F190 HydrophobicContact CD1-CD1 3.52Å; L110-F190 HydrophobicContact CD1-CE1 4.34Å; L110-F190 HydrophobicContact CD1-CG 3.86Å; E178-F190 CarbonylContact O-C 3.55Å; E178-F190 WeakPolarHBondContact O-CA 3.4Å; E178-F190 WeakPolarHBondContact O-CB 3.49Å; F190-T192 HydrophobicContact CD2-CG2 4.39Å; F190-T192 HydrophobicContact CE2-CG2 3.96Å; F190-T192 HydrophobicContact CZ-CG2 4.15Å; F190-T192 PolarHBondContact O-N 3.29Å; F190-T192 VanDerWaalsContact O-N 3.13Å
191	D	97.3	Very high	95.1	Very high	46 Å²	46	60.2 Å²	60.2	25%	0.246	33%	0.327	C	S	.	.			trans	-71.8	106.9	-179.3	-169.3	-11.9	0	0	0	110.9	E178 L180 S193 E194	E178-D191 HydrophobicContact CB-CB 4.06Å; E178-D191 PolarHBondContact O-N 2.87Å; L180-D191 HydrophobicContact CD1-CB 4.48Å; L180-D191 HydrophobicContact CD2-CB 4.3Å; L180-D191 HydrophobicContact CG-CB 4.48Å; D191-S193 VanDerWaalsContact CG-OG 3.27Å; D191-S193 PolarHBondContact O-N 2.97Å; D191-S193 WeakPolarHBondContact OD1-CA 3.42Å; D191-S193 VanDerWaalsContact OD1-CB 3.24Å; D191-S193 WeakPolarHBondContact OD1-CB 3.34Å; D191-S193 PolarHBondContact OD1-N 2.82Å; D191-S193 PolarHBondContact OD1-OG 3.09Å; D191-S193 PolarHBondContact OD2-OG 2.85Å; D191-E194 HydrophobicContact CB-CG 4.02Å; D191-E194 PolarHBondContact O-N 3.28Å
192	T	95.1	Very high	94.7	Very high	77 Å²	77	65.4 Å²	65.4	47%	0.472	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-3.1	177.9	59.1	0	0	0	0	113.8	R103 F190 S197	R103-T192 PolarHBondContact NH2-O 3.19Å; R103-T192 VanDerWaalsContact NH2-O 3.09Å; F190-T192 HydrophobicContact CD2-CG2 4.39Å; F190-T192 HydrophobicContact CE2-CG2 3.96Å; F190-T192 HydrophobicContact CZ-CG2 4.15Å; F190-T192 PolarHBondContact O-N 3.29Å; F190-T192 VanDerWaalsContact O-N 3.13Å; T192-S197 PolarHBondContact O-OG 3.41Å; T192-S197 VanDerWaalsContact O-OG 3.11Å
193	S	95.6	Very high	94.4	Very high	93 Å²	93	70.9 Å²	70.9	65%	0.65	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-17.7	173.6	78.4	0	0	0	0	112.7	D191 L195	D191-S193 VanDerWaalsContact CG-OG 3.27Å; D191-S193 PolarHBondContact O-N 2.97Å; D191-S193 WeakPolarHBondContact OD1-CA 3.42Å; D191-S193 VanDerWaalsContact OD1-CB 3.24Å; D191-S193 WeakPolarHBondContact OD1-CB 3.34Å; D191-S193 PolarHBondContact OD1-N 2.82Å; D191-S193 PolarHBondContact OD1-OG 3.09Å; D191-S193 PolarHBondContact OD2-OG 2.85Å; S193-L195 PolarHBondContact O-N 2.69Å
194	E	96.6	Very high	94.2	Very high	43 Å²	43	63.5 Å²	63.5	20%	0.201	34%	0.344	C	S	.	.	S	Bend	trans	-59.3	133.9	170.5	-75.2	-74.4	-164.5	0	0	110	R157 D191 T196 S197	R157-E194 IonicContact CZ-OE1 2.74Å; R157-E194 IonicContact NE-OE1 3.56Å; R157-E194 IonicContact NH2-OE1 2.77Å; R157-E194 PolarHBondContact NH2-OE1 2.83Å; R157-E194 IonicContact NH2-OE2 3.86Å; D191-E194 HydrophobicContact CB-CG 4.02Å; D191-E194 PolarHBondContact O-N 3.28Å; E194-T196 PolarHBondContact O-N 3.21Å; E194-S197 WeakPolarHBondContact O-CB 3.44Å; E194-S197 PolarHBondContact O-N 3.27Å; E194-S197 PolarHBondContact O-OG 2.67Å
195	L	96.1	Very high	94.2	Very high	57 Å²	57	56.5 Å²	56.5	30%	0.298	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-59.3	-35.9	-177.7	-68.9	176.3	0	0	0	111.3	S193 S197 G205 A208 V209 L212	S193-L195 PolarHBondContact O-N 2.69Å; L195-S197 PolarHBondContact O-N 3.44Å; L195-G205 WeakPolarHBondContact O-CA 3.37Å; L195-G205 PolarHBondContact O-N 2.91Å; L195-A208 HydrophobicContact CB-CB 4.45Å; L195-A208 HydrophobicContact CD1-CB 4.14Å; L195-A208 HydrophobicContact CD2-CB 4.01Å; L195-A208 HydrophobicContact CG-CB 4.44Å; L195-V209 HydrophobicContact CB-CG2 3.85Å; L195-V209 HydrophobicContact CD1-CG2 3.96Å; L195-L212 HydrophobicContact CD1-CD2 4.06Å
196	T	95.6	Very high	94.2	Very high	3 Å²	3	56 Å²	56	2%	0.018	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-79.2	4.7	-179	52	0	0	0	0	114.3	V152 S153 A176 N177 E194 D198 V209	V152-T196 HydrophobicContact CG1-CG2 4.32Å; S153-T196 VanDerWaalsContact O-CB 3.32Å; S153-T196 WeakPolarHBondContact O-CB 3.36Å; S153-T196 WeakPolarHBondContact O-CG2 3.09Å; A176-T196 WeakPolarHBondContact CA-OG1 3.46Å; N177-T196 PolarHBondContact N-OG1 3.49Å; N177-T196 PolarHBondContact ND2-O 2.95Å; N177-T196 PolarHBondContact OD1-O 3.15Å; E194-T196 PolarHBondContact O-N 3.21Å; T196-D198 PolarHBondContact O-N 3.45Å; T196-V209 HydrophobicContact CG2-CG2 4.02Å
197	S	93.3	Very high	94.2	Very high	1 Å²	1	50 Å²	50	1%	0.007	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-78.9	-5.1	177.5	73.5	0	0	0	0	114.2	R103 N177 T192 E194 L195	R103-S197 WeakPolarHBondContact CB-O 3.41Å; R103-S197 PolarHBondContact NE-O 2.91Å; R103-S197 PolarHBondContact NH2-OG 3.07Å; N177-S197 WeakPolarHBondContact OD1-CA 3.48Å; N177-S197 WeakPolarHBondContact OD1-CB 3.4Å; N177-S197 PolarHBondContact OD1-N 2.89Å; T192-S197 PolarHBondContact O-OG 3.41Å; T192-S197 VanDerWaalsContact O-OG 3.11Å; E194-S197 WeakPolarHBondContact O-CB 3.44Å; E194-S197 PolarHBondContact O-N 3.27Å; E194-S197 PolarHBondContact O-OG 2.67Å; L195-S197 PolarHBondContact O-N 3.44Å
198	D	91	Very high	94.2	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.053	28%	0.277	C	S	.	.			trans	-149	169.1	174.6	-153.3	0.9	0	0	0	110.2	R101 T196 T204 G205	R101-D198 IonicContact NH2-OD2 3.37Å; T196-D198 PolarHBondContact O-N 3.45Å; D198-T204 HydrophobicContact CB-CG2 4.31Å; D198-G205 WeakPolarHBondContact O-CA 3.25Å; D198-G205 PolarHBondContact O-N 2.82Å; D198-G205 VanDerWaalsContact O-N 3.16Å
199	S	88.9	Confident	94.2	Very high	28 Å²	28	42.4 Å²	42.4	20%	0.196	25%	0.249	C	C	.	.			trans	-146.6	-179.4	177.5	80.1	0	0	0	0	112	Y102	Y102-S199 VanDerWaalsContact CB-OG 3.27Å; Y102-S199 WeakPolarHBondContact CB-OG 3.49Å
200	G	86.1	Confident	94.3	Very high	58 Å²	58	41.5 Å²	41.5	60%	0.598	24%	0.24	S	C	*	.	S	Bend	trans	83.4	12	176	0	0	0	0	0	115.1	E233	G200-E233 WeakPolarHBondContact CA-OE2 3.48Å; G200-E233 PolarHBondContact N-OE2 3.43Å
201	S	87.6	Confident	94.4	Very high	49 Å²	49	42.7 Å²	42.7	34%	0.343	25%	0.253	S	S	.	.	S	Bend	trans	-142.2	162.3	171.5	89.4	0	0	0	0	111.2	E203 T204	S201-E203 PolarHBondContact O-N 3.31Å; S201-E203 PolarHBondContact OG-N 3.27Å; S201-T204 VanDerWaalsContact O-O 3.08Å; S201-T204 PolarHBondContact OG-N 2.89Å; S201-T204 PolarHBondContact OG-OG1 3.36Å
202	K	89.4	Confident	94.4	Very high	158 Å²	158	43.5 Å²	43.5	69%	0.687	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-15.4	174.7	-65	-174.8	178.8	-178.5	0	113.4
203	E	91.9	Very high	94.6	Very high	168 Å²	168	39.8 Å²	39.8	79%	0.785	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-6.3	-176.7	-64.6	171.6	-171.5	0	0	112.2	S201 A208	S201-E203 PolarHBondContact O-N 3.31Å; S201-E203 PolarHBondContact OG-N 3.27Å; E203-A208 VanDerWaalsContact C-CB 3.49Å; E203-A208 WeakPolarHBondContact O-CB 3.29Å
204	T	93.1	Very high	94.7	Very high	31 Å²	31	37.5 Å²	37.5	19%	0.19	21%	0.213	C	C	.	.	S	Bend	trans	-131.4	174.4	177.4	59.9	0	0	0	0	111.3	D198 S201 P207 A208	D198-T204 HydrophobicContact CB-CG2 4.31Å; S201-T204 VanDerWaalsContact O-O 3.08Å; S201-T204 PolarHBondContact OG-N 2.89Å; S201-T204 PolarHBondContact OG-OG1 3.36Å; T204-P207 WeakPolarHBondContact O-CD 3.31Å; T204-A208 PolarHBondContact O-N 3.37Å
205	G	95.7	Very high	94.8	Very high	5 Å²	5	44.1 Å²	44.1	5%	0.052	24%	0.241	C	C	.	.	H	α-helix	trans	66	-157.1	173.6	0	0	0	0	0	114.8	L195 D198 P207 A208 V209	L195-G205 WeakPolarHBondContact O-CA 3.37Å; L195-G205 PolarHBondContact O-N 2.91Å; D198-G205 WeakPolarHBondContact O-CA 3.25Å; D198-G205 PolarHBondContact O-N 2.82Å; D198-G205 VanDerWaalsContact O-N 3.16Å; G205-P207 VanDerWaalsContact C-CD 3.42Å; G205-A208 PolarHBondContact O-N 3.47Å; G205-V209 PolarHBondContact O-N 3.35Å
206	K	97.8	Very high	94.9	Very high	10 Å²	10	46.3 Å²	46.3	4%	0.043	25%	0.251	C	S	.	.	H	α-helix	trans	-56.9	-39.8	176.2	-52.5	-172.1	172.7	172.4	0	112.9	D62 V152 A208 V209 I210 M224 D231 A234	D62-K206 IonicContact OD1-NZ 3.61Å; D62-K206 PolarHBondContact OD1-NZ 3.27Å; D62-K206 IonicContact OD2-NZ 2.82Å; D62-K206 PolarHBondContact OD2-NZ 2.85Å; V152-K206 HydrophobicContact CG1-CB 4.17Å; V152-K206 HydrophobicContact CG1-CG 4Å; V152-K206 VanDerWaalsContact O-CE 3.31Å; V152-K206 WeakPolarHBondContact O-CE 3.09Å; K206-A208 PolarHBondContact O-N 3.21Å; K206-V209 PolarHBondContact O-N 3.14Å; K206-I210 WeakPolarHBondContact O-CD1 3.48Å; K206-I210 WeakPolarHBondContact O-CG1 3.46Å; K206-I210 PolarHBondContact O-N 3Å; K206-M224 HydrophobicContact CD-CE 3.79Å; K206-D231 VanDerWaalsContact CD-OD1 3.23Å; K206-D231 WeakPolarHBondContact CD-OD1 3.01Å; K206-D231 WeakPolarHBondContact CE-OD1 3.14Å; K206-D231 VanDerWaalsContact NZ-CG 3.32Å; K206-D231 IonicContact NZ-OD1 3.75Å; K206-D231 PolarHBondContact NZ-OD1 3.32Å; K206-D231 IonicContact NZ-OD2 3.91Å; K206-D231 PolarHBondContact NZ-OD2 3.42Å; K206-A234 HydrophobicContact CB-CB 3.88Å
207	P	97.8	Very high	95	Very high	5 Å²	5	51 Å²	51	3%	0.032	27%	0.269	C	S	.	.	H	α-helix	trans	-57.6	-44.6	175.2	-21.2	28.3	0	0	0	113.5	T204 G205 I210 A211 E233 P237	T204-P207 WeakPolarHBondContact O-CD 3.31Å; G205-P207 VanDerWaalsContact C-CD 3.42Å; P207-I210 PolarHBondContact O-N 2.91Å; P207-A211 PolarHBondContact O-N 3.47Å; P207-E233 HydrophobicContact CG-CB 4.33Å; P207-E233 WeakPolarHBondContact CG-O 3.45Å; P207-P237 VanDerWaalsContact O-CG 3.23Å; P207-P237 WeakPolarHBondContact O-CG 3.44Å
208	A	98.1	Very high	95.2	Very high	9 Å²	9	57.2 Å²	57.2	7%	0.074	30%	0.302	C	S	.	.	H	α-helix	trans	-67.5	-37.4	-179.6	0	0	0	0	0	112.5	L195 E203 T204 G205 K206 A211 L212	L195-A208 HydrophobicContact CB-CB 4.45Å; L195-A208 HydrophobicContact CD1-CB 4.14Å; L195-A208 HydrophobicContact CD2-CB 4.01Å; L195-A208 HydrophobicContact CG-CB 4.44Å; E203-A208 VanDerWaalsContact C-CB 3.49Å; E203-A208 WeakPolarHBondContact O-CB 3.29Å; T204-A208 PolarHBondContact O-N 3.37Å; G205-A208 PolarHBondContact O-N 3.47Å; K206-A208 PolarHBondContact O-N 3.21Å; A208-A211 PolarHBondContact O-N 3.29Å; A208-L212 WeakPolarHBondContact O-CB 3.44Å; A208-L212 PolarHBondContact O-N 3.24Å
209	V	98.6	Very high	95.6	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-47	173.7	174.2	0	0	0	0	110.5	V152 Y175 L195 T196 G205 K206 A211 L212 L213	V152-V209 HydrophobicContact CB-CG1 4.46Å; V152-V209 HydrophobicContact CG1-CB 3.86Å; V152-V209 HydrophobicContact CG1-CG1 3.77Å; V152-V209 HydrophobicContact CG1-CG2 4.02Å; V152-V209 HydrophobicContact CG2-CG1 3.79Å; Y175-V209 HydrophobicContact CD1-CG1 3.75Å; Y175-V209 HydrophobicContact CD1-CG2 4.13Å; Y175-V209 HydrophobicContact CD2-CG1 3.72Å; Y175-V209 HydrophobicContact CE1-CG1 4.29Å; Y175-V209 HydrophobicContact CE2-CG1 4.29Å; Y175-V209 HydrophobicContact CG-CB 4.49Å; Y175-V209 HydrophobicContact CG-CG1 3.43Å; Y175-V209 VanDerWaalsContact CG-CG1 3.43Å; Y175-V209 HydrophobicContact CG-CG2 4.22Å; L195-V209 HydrophobicContact CB-CG2 3.85Å; L195-V209 HydrophobicContact CD1-CG2 3.96Å; T196-V209 HydrophobicContact CG2-CG2 4.02Å; G205-V209 PolarHBondContact O-N 3.35Å; K206-V209 PolarHBondContact O-N 3.14Å; V209-A211 PolarHBondContact O-N 3.36Å; V209-L212 WeakPolarHBondContact O-CB 3.29Å; V209-L212 PolarHBondContact O-N 3.03Å; V209-L213 HydrophobicContact CG1-CD1 4.05Å; V209-L213 HydrophobicContact CG1-CG 4.36Å; V209-L213 WeakPolarHBondContact O-CG 3.25Å; V209-L213 PolarHBondContact O-N 2.88Å
210	I	98.6	Very high	96	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-42	178.9	-66.7	155.3	0	0	0	111.1	K206 P207 L212 L213 K214 V222 M224 A234 P237 A238	K206-I210 WeakPolarHBondContact O-CD1 3.48Å; K206-I210 WeakPolarHBondContact O-CG1 3.46Å; K206-I210 PolarHBondContact O-N 3Å; P207-I210 PolarHBondContact O-N 2.91Å; I210-L212 VanDerWaalsContact C-N 3.32Å; I210-L212 PolarHBondContact O-N 3.44Å; I210-L213 PolarHBondContact O-N 3.01Å; I210-K214 HydrophobicContact CG2-CD 4.17Å; I210-K214 HydrophobicContact CG2-CG 4.41Å; I210-K214 WeakPolarHBondContact O-CG 3.4Å; I210-K214 PolarHBondContact O-N 3.34Å; I210-V222 HydrophobicContact CG2-CB 4.29Å; I210-V222 HydrophobicContact CG2-CG1 3.94Å; I210-M224 HydrophobicContact CD1-CB 4.24Å; I210-M224 HydrophobicContact CD1-CG 4.41Å; I210-M224 HydrophobicContact CD1-SD 4.16Å; I210-A234 HydrophobicContact CD1-CB 3.33Å; I210-P237 HydrophobicContact CB-CG 4.05Å; I210-P237 HydrophobicContact CG2-CG 3.93Å; I210-A238 HydrophobicContact CD1-CB 4.05Å; I210-A238 HydrophobicContact CG2-CB 4.15Å
211	A	98.4	Very high	96.5	Very high	44 Å²	44	62.8 Å²	62.8	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-58.8	-44	174.5	0	0	0	0	0	112	P207 A208 V209 K215 P237	P207-A211 PolarHBondContact O-N 3.47Å; A208-A211 PolarHBondContact O-N 3.29Å; V209-A211 PolarHBondContact O-N 3.36Å; A211-K215 WeakPolarHBondContact O-CB 3.28Å; A211-K215 PolarHBondContact O-N 2.78Å; A211-K215 VanDerWaalsContact O-N 3.07Å; A211-P237 HydrophobicContact CB-CG 4.03Å
212	L	98.4	Very high	97.1	Very high	63 Å²	63	60.5 Å²	60.5	33%	0.33	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-47.9	176	175.8	66.5	0	0	0	111	Y175 L195 A208 V209 I210 K215 M216	Y175-L212 HydrophobicContact CE1-CD2 3.97Å; L195-L212 HydrophobicContact CD1-CD2 4.06Å; A208-L212 WeakPolarHBondContact O-CB 3.44Å; A208-L212 PolarHBondContact O-N 3.24Å; V209-L212 WeakPolarHBondContact O-CB 3.29Å; V209-L212 PolarHBondContact O-N 3.03Å; I210-L212 VanDerWaalsContact C-N 3.32Å; I210-L212 PolarHBondContact O-N 3.44Å; L212-K215 PolarHBondContact O-N 3.16Å; L212-M216 HydrophobicContact CD1-CE 3.78Å; L212-M216 HydrophobicContact CD2-CE 4.34Å; L212-M216 HydrophobicContact CG-CE 4.01Å; L212-M216 WeakPolarHBondContact O-CB 3.32Å; L212-M216 PolarHBondContact O-N 3.16Å
213	L	98.4	Very high	97.5	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-47.8	-179.7	-71.3	176.5	0	0	0	112.3	Y150 Y175 V209 I210 K215 M216 Y217 Y219	Y150-L213 HydrophobicContact CD1-CD1 3.79Å; Y150-L213 HydrophobicContact CD1-CD2 3.93Å; Y150-L213 HydrophobicContact CD2-CD1 4.04Å; Y150-L213 HydrophobicContact CE1-CD1 4.03Å; Y150-L213 HydrophobicContact CE1-CD2 3.36Å; Y150-L213 HydrophobicContact CE1-CG 4.34Å; Y150-L213 HydrophobicContact CE2-CD1 4.26Å; Y150-L213 HydrophobicContact CE2-CD2 4.38Å; Y150-L213 HydrophobicContact CG-CD1 3.81Å; Y175-L213 HydrophobicContact CE2-CD1 4.28Å; Y175-L213 HydrophobicContact CE2-CD2 3.72Å; Y175-L213 HydrophobicContact CE2-CG 4.28Å; Y175-L213 VanDerWaalsContact OH-CD2 3.31Å; Y175-L213 WeakPolarHBondContact OH-CD2 3.32Å; V209-L213 HydrophobicContact CG1-CD1 4.05Å; V209-L213 HydrophobicContact CG1-CG 4.36Å; V209-L213 WeakPolarHBondContact O-CG 3.25Å; V209-L213 PolarHBondContact O-N 2.88Å; I210-L213 PolarHBondContact O-N 3.01Å; L213-K215 VanDerWaalsContact C-N 3.27Å; L213-K215 PolarHBondContact O-N 3.23Å; L213-M216 PolarHBondContact O-N 3Å; L213-Y217 HydrophobicContact CD2-CD2 3.99Å; L213-Y217 HydrophobicContact CD2-CE2 3.74Å; L213-Y217 PolarHBondContact O-N 3.27Å; L213-Y219 HydrophobicContact CB-CD2 4.38Å; L213-Y219 HydrophobicContact CB-CE2 4.43Å
214	K	98.5	Very high	97.9	Very high	44 Å²	44	45 Å²	45	19%	0.191	22%	0.221	C	C	.	.	H	α-helix	trans	-57	-42.8	176.1	-72.4	-176.7	76.6	149.5	0	111.3	I210 N218 Y219 V222 P237 D239	I210-K214 HydrophobicContact CG2-CD 4.17Å; I210-K214 HydrophobicContact CG2-CG 4.41Å; I210-K214 WeakPolarHBondContact O-CG 3.4Å; I210-K214 PolarHBondContact O-N 3.34Å; K214-N218 WeakPolarHBondContact O-CA 3.44Å; K214-N218 PolarHBondContact O-N 3.42Å; K214-Y219 PolarHBondContact O-N 3.22Å; K214-V222 HydrophobicContact CD-CB 4.34Å; K214-V222 HydrophobicContact CD-CG2 4.04Å; K214-V222 HydrophobicContact CG-CB 4.24Å; K214-V222 HydrophobicContact CG-CG2 3.48Å; K214-V222 VanDerWaalsContact CG-CG2 3.48Å; K214-P237 WeakPolarHBondContact CD-O 3.33Å; K214-P237 PolarHBondContact NZ-O 3.46Å; K214-P237 VanDerWaalsContact NZ-O 3.11Å; K214-D239 IonicContact NZ-OD1 2.67Å; K214-D239 PolarHBondContact NZ-OD1 2.85Å; K214-D239 IonicContact NZ-OD2 3.82Å; K214-D239 PolarHBondContact NZ-OD2 2.83Å
215	K	98	Very high	98.1	Very high	183 Å²	183	43.5 Å²	43.5	80%	0.796	21%	0.212	S	C	*	.	H	α-helix	trans	-70.4	-45.4	178.5	-176.5	178.9	177.7	-178	0	112.8	A211 L212 L213	A211-K215 WeakPolarHBondContact O-CB 3.28Å; A211-K215 PolarHBondContact O-N 2.78Å; A211-K215 VanDerWaalsContact O-N 3.07Å; L212-K215 PolarHBondContact O-N 3.16Å; L213-K215 VanDerWaalsContact C-N 3.27Å; L213-K215 PolarHBondContact O-N 3.23Å
216	M	97.8	Very high	98.3	Very high	103 Å²	103	43.2 Å²	43.2	51%	0.507	21%	0.21	S	C	.	.	H	α-helix	trans	-68.6	-40.3	-173	-176.2	177.8	-61.5	0	0	112.2	L212 L213	L212-M216 HydrophobicContact CD1-CE 3.78Å; L212-M216 HydrophobicContact CD2-CE 4.34Å; L212-M216 HydrophobicContact CG-CE 4.01Å; L212-M216 WeakPolarHBondContact O-CB 3.32Å; L212-M216 PolarHBondContact O-N 3.16Å; L213-M216 PolarHBondContact O-N 3Å
217	Y	97.9	Very high	98.3	Very high	102 Å²	102	42.9 Å²	42.9	40%	0.4	21%	0.208	S	C	.	.	H	α-helix	trans	-110.1	1.7	-174.9	-60.2	-72.1	0	0	0	113.6	Y150 L213 Y219	Y150-Y217 WeakPolarHBondContact OH-CE2 3.43Å; L213-Y217 HydrophobicContact CD2-CD2 3.99Å; L213-Y217 HydrophobicContact CD2-CE2 3.74Å; L213-Y217 PolarHBondContact O-N 3.27Å; Y217-Y219 VanDerWaalsContact CB-CE2 3.5Å; Y217-Y219 WeakPolarHBondContact CB-OH 3.23Å; Y217-Y219 AromaticContact CD2-CE2 3.68Å; Y217-Y219 HydrophobicContact CD2-CE2 3.68Å; Y217-Y219 AromaticContact CD2-CZ 3.93Å; Y217-Y219 HydrophobicContact CG-CE1 4.48Å; Y217-Y219 AromaticContact CG-CE2 3.86Å; Y217-Y219 HydrophobicContact CG-CE2 3.86Å; Y217-Y219 AromaticContact CG-CZ 3.7Å; Y217-Y219 PolarHBondContact O-N 3.05Å
218	N	97.4	Very high	98.1	Very high	130 Å²	130	43 Å²	43	70%	0.695	21%	0.211	S	C	*	.			trans	54.7	37.1	-177.8	-161.8	68.6	0	0	0	112.8	K214 K220	K214-N218 WeakPolarHBondContact O-CA 3.44Å; K214-N218 PolarHBondContact O-N 3.42Å; N218-K220 PolarHBondContact O-N 3.23Å
219	Y	98.4	Very high	97.9	Very high	23 Å²	23	44.8 Å²	44.8	9%	0.09	23%	0.226	C	C	.	.			trans	-63.5	130.4	174.3	-63.2	-44.8	0	0	0	110.1	D57 A58 H148 Y150 L213 K214 Y217 V222	D57-Y219 HydrophobicContact CB-CD1 3.71Å; D57-Y219 HydrophobicContact CB-CG 4.29Å; A58-Y219 HydrophobicContact CB-CD1 4.33Å; A58-Y219 HydrophobicContact CB-CD2 3.75Å; A58-Y219 HydrophobicContact CB-CE1 4.34Å; A58-Y219 HydrophobicContact CB-CE2 3.72Å; A58-Y219 HydrophobicContact CB-CG 4.09Å; H148-Y219 AromaticContact ND1-CE1 3.46Å; H148-Y219 WeakPolarHBondContact ND1-CE1 3.45Å; H148-Y219 AromaticContact ND1-CZ 3.41Å; H148-Y219 PolarHBondContact ND1-OH 3.02Å; Y150-Y219 AromaticContact CE2-CE2 3.9Å; Y150-Y219 HydrophobicContact CE2-CE2 3.9Å; Y150-Y219 PolarHBondContact OH-OH 3.41Å; L213-Y219 HydrophobicContact CB-CD2 4.38Å; L213-Y219 HydrophobicContact CB-CE2 4.43Å; K214-Y219 PolarHBondContact O-N 3.22Å; Y217-Y219 VanDerWaalsContact CB-CE2 3.5Å; Y217-Y219 WeakPolarHBondContact CB-OH 3.23Å; Y217-Y219 AromaticContact CD2-CE2 3.68Å; Y217-Y219 HydrophobicContact CD2-CE2 3.68Å; Y217-Y219 AromaticContact CD2-CZ 3.93Å; Y217-Y219 HydrophobicContact CG-CE1 4.48Å; Y217-Y219 AromaticContact CG-CE2 3.86Å; Y217-Y219 HydrophobicContact CG-CE2 3.86Å; Y217-Y219 AromaticContact CG-CZ 3.7Å; Y217-Y219 PolarHBondContact O-N 3.05Å; Y219-V222 HydrophobicContact CD2-CG2 3.98Å; Y219-V222 HydrophobicContact CG-CG2 4.1Å
220	K	97.5	Very high	97.6	Very high	164 Å²	164	46.4 Å²	46.4	71%	0.713	24%	0.235	S	C	*	.	S	Bend	trans	-82.8	-40.1	175	-61.4	178.9	-179.9	176.3	0	110.1	D57 N218	D57-K220 WeakPolarHBondContact OD2-CA 3.23Å; D57-K220 WeakPolarHBondContact OD2-CB 3.44Å; D57-K220 PolarHBondContact OD2-N 2.73Å; N218-K220 PolarHBondContact O-N 3.23Å
221	T	98.2	Very high	97.6	Very high	27 Å²	27	46.4 Å²	46.4	17%	0.166	24%	0.235	C	C	.	.			trans	-125.9	113.1	-176.1	-47.4	0	0	0	0	111.1	V52 K55 A56 D57 A58 D239	V52-T221 HydrophobicContact CG1-CG2 3.52Å; V52-T221 WeakPolarHBondContact O-CG2 3.47Å; K55-T221 WeakPolarHBondContact O-CB 3.48Å; K55-T221 PolarHBondContact O-OG1 2.97Å; A56-T221 HydrophobicContact CB-CG2 4.5Å; D57-T221 PolarHBondContact N-O 3.44Å; D57-T221 PolarHBondContact OD2-N 3.27Å; A58-T221 PolarHBondContact N-O 3.34Å; T221-D239 WeakPolarHBondContact CA-OD2 3.36Å; T221-D239 HydrophobicContact CG2-CB 4.36Å
222	V	98.8	Very high	97.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126	173.7	-175.7	0	0	0	0	109.8	A58 I210 K214 Y219 A238 D239	A58-V222 HydrophobicContact CB-CG2 4.3Å; A58-V222 WeakPolarHBondContact O-CA 3.4Å; I210-V222 HydrophobicContact CG2-CB 4.29Å; I210-V222 HydrophobicContact CG2-CG1 3.94Å; K214-V222 HydrophobicContact CD-CB 4.34Å; K214-V222 HydrophobicContact CD-CG2 4.04Å; K214-V222 HydrophobicContact CG-CB 4.24Å; K214-V222 HydrophobicContact CG-CG2 3.48Å; K214-V222 VanDerWaalsContact CG-CG2 3.48Å; Y219-V222 HydrophobicContact CD2-CG2 3.98Å; Y219-V222 HydrophobicContact CG-CG2 4.1Å; V222-A238 CarbonylContact O-C 3.44Å; V222-A238 WeakPolarHBondContact O-CA 3.4Å; V222-A238 WeakPolarHBondContact O-CB 3.12Å; V222-D239 PolarHBondContact N-OD2 2.82Å; V222-D239 PolarHBondContact O-N 3.46Å
223	V	98.9	Very high	97.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.4	177.3	-179.3	0	0	0	0	110.3	V52 W53 A56 A58 V59 C60 V225 A240 I242	V52-V223 HydrophobicContact CG1-CG2 3.97Å; W53-V223 HydrophobicContact CE3-CB 4.29Å; W53-V223 HydrophobicContact CE3-CG1 3.98Å; W53-V223 HydrophobicContact CE3-CG2 4.42Å; W53-V223 HydrophobicContact CZ3-CG1 4.38Å; A56-V223 HydrophobicContact CB-CG2 3.9Å; A58-V223 PolarHBondContact O-N 3.31Å; A58-V223 VanDerWaalsContact O-N 3.07Å; V59-V223 WeakPolarHBondContact CA-O 3.26Å; C60-V223 PolarHBondContact N-O 3.25Å; V223-V225 HydrophobicContact CG1-CG2 4.26Å; V223-A240 HydrophobicContact CG1-CB 4.45Å; V223-A240 HydrophobicContact CG2-CB 4.37Å; V223-I242 HydrophobicContact CG1-CD1 3.72Å; V223-I242 HydrophobicContact CG1-CG1 3.88Å
224	M	98.8	Very high	97.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.2	170.6	-175.4	62.5	-162.5	0	0	110.3	C60 D62 K206 I210 D231 A234 A238 A240 F241 I242	C60-M224 HydrophobicContact CB-SD 3.65Å; C60-M224 WeakPolarHBondContact O-CA 3.37Å; C60-M224 VanDerWaalsContact O-SD 3.39Å; D62-M224 HydrophobicContact CB-CE 4.25Å; K206-M224 HydrophobicContact CD-CE 3.79Å; I210-M224 HydrophobicContact CD1-CB 4.24Å; I210-M224 HydrophobicContact CD1-CG 4.41Å; I210-M224 HydrophobicContact CD1-SD 4.16Å; M224-D231 HydrophobicContact CE-CB 4.03Å; M224-D231 WeakPolarHBondContact CE-OD1 3.35Å; M224-D231 HydrophobicContact CG-CB 4.4Å; M224-A234 HydrophobicContact CB-CB 4.36Å; M224-A234 HydrophobicContact CG-CB 3.89Å; M224-A234 HydrophobicContact SD-CB 4.48Å; M224-A238 HydrophobicContact CB-CB 4.02Å; M224-A240 PolarHBondContact N-O 3.07Å; M224-F241 HydrophobicContact CB-CD2 4.25Å; M224-F241 HydrophobicContact CG-CD2 4.14Å; M224-F241 CarbonylContact O-C 3.21Å; M224-F241 WeakPolarHBondContact O-CA 3.22Å; M224-I242 PolarHBondContact O-N 3.31Å
225	V	98.9	Very high	97.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.6	175.2	-172.3	0	0	0	0	109.3	W53 V59 C60 F61 D62 V223 I242 F244 F264 L267	W53-V225 HydrophobicContact CZ3-CG2 4.21Å; V59-V225 HydrophobicContact CG1-CG2 3.89Å; C60-V225 PolarHBondContact O-N 3.4Å; F61-V225 WeakPolarHBondContact CA-O 3.42Å; F61-V225 HydrophobicContact CD1-CB 3.62Å; F61-V225 HydrophobicContact CD1-CG1 3.92Å; F61-V225 HydrophobicContact CD1-CG2 4.17Å; F61-V225 HydrophobicContact CE1-CB 3.76Å; F61-V225 HydrophobicContact CE1-CG1 3.87Å; F61-V225 HydrophobicContact CE1-CG2 3.86Å; F61-V225 HydrophobicContact CG-CB 4.45Å; F61-V225 HydrophobicContact CZ-CG2 4.38Å; D62-V225 PolarHBondContact N-O 3.14Å; V223-V225 HydrophobicContact CG1-CG2 4.26Å; V225-I242 WeakPolarHBondContact CA-O 3.26Å; V225-I242 HydrophobicContact CG1-CB 4.45Å; V225-I242 HydrophobicContact CG2-CB 4.2Å; V225-I242 HydrophobicContact CG2-CD1 4.28Å; V225-F244 HydrophobicContact CG1-CB 4.42Å; V225-F264 HydrophobicContact CG1-CE1 4.31Å; V225-L267 HydrophobicContact CG1-CD1 4.26Å
226	G	98.6	Very high	97.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	167.4	-179.3	0	0	0	0	0	114	T66 F241 I242 G243 F244	T66-G226 WeakPolarHBondContact OG1-CA 3.21Å; G226-F241 WeakPolarHBondContact O-CZ 3.39Å; G226-I242 PolarHBondContact N-O 3.42Å; G226-G243 WeakPolarHBondContact O-CA 3.39Å; G226-F244 PolarHBondContact O-N 3.11Å
227	D	98.1	Very high	97	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.011	21%	0.208	C	C	.	.	S	Bend	trans	-98.4	-15.7	-178.1	73.1	-70.6	0	0	0	113.7	S65 T66 F244 R250 V253	S65-D227 WeakPolarHBondContact CB-OD1 3.47Å; S65-D227 WeakPolarHBondContact CB-OD2 3.37Å; T66-D227 PolarHBondContact OG1-N 2.84Å; T66-D227 VanDerWaalsContact OG1-N 3.17Å; T66-D227 PolarHBondContact OG1-OD1 2.88Å; D227-F244 VanDerWaalsContact CA-O 3.31Å; D227-F244 WeakPolarHBondContact CA-O 3.39Å; D227-F244 VanDerWaalsContact CB-O 3.22Å; D227-F244 WeakPolarHBondContact CB-O 3.48Å; D227-R250 VanDerWaalsContact O-CD 3.22Å; D227-R250 WeakPolarHBondContact O-CD 3.39Å; D227-R250 IonicContact OD2-CZ 2.75Å; D227-R250 IonicContact OD2-NE 2.89Å; D227-R250 PolarHBondContact OD2-NE 3.44Å; D227-R250 IonicContact OD2-NH2 3.6Å; D227-R250 PolarHBondContact OD2-NH2 3.34Å; D227-V253 VanDerWaalsContact O-CG2 3.3Å; D227-V253 WeakPolarHBondContact O-CG2 3.35Å
228	G	94.7	Very high	97.1	Very high	8 Å²	8	33.8 Å²	33.8	8%	0.082	19%	0.191	C	C	.	.	S	Bend	trans	-96.1	166.5	-167.3	0	0	0	0	0	115.9	T230 D231 V232 V253	G228-T230 VanDerWaalsContact C-N 3.29Å; G228-T230 PolarHBondContact O-N 2.96Å; G228-D231 WeakPolarHBondContact CA-OD2 3.32Å; G228-D231 PolarHBondContact N-OD2 3.44Å; G228-D231 WeakPolarHBondContact O-CB 3.45Å; G228-D231 PolarHBondContact O-N 3.09Å; G228-V232 PolarHBondContact O-N 2.95Å; G228-V253 VanDerWaalsContact C-CG2 3.49Å; G228-V253 WeakPolarHBondContact O-CG2 3.26Å
229	A	92.6	Very high	97.1	Very high	47 Å²	47	30.9 Å²	30.9	39%	0.388	18%	0.175	S	C	.	.	H	α-helix	trans	-65.7	-33.9	174.8	0	0	0	0	0	112.1	D231 V232 E233	A229-D231 PolarHBondContact O-N 3.11Å; A229-V232 WeakPolarHBondContact O-CB 3.36Å; A229-V232 PolarHBondContact O-N 3.32Å; A229-E233 WeakPolarHBondContact O-CG 3.47Å; A229-E233 PolarHBondContact O-N 3.33Å; A229-E233 VanDerWaalsContact O-N 3.12Å
230	T	93.4	Very high	97.1	Very high	34 Å²	34	30 Å²	30	21%	0.209	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-24.1	176.3	51.8	0	0	0	0	113.1	G228	G228-T230 VanDerWaalsContact C-N 3.29Å; G228-T230 PolarHBondContact O-N 2.96Å
231	D	97.6	Very high	97.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-80.1	-38.5	179	-51.8	-78.9	0	0	0	111	D62 K206 M224 G228 A229 E233 A234 F241	D62-D231 WeakPolarHBondContact CB-OD1 3.39Å; K206-D231 VanDerWaalsContact CD-OD1 3.23Å; K206-D231 WeakPolarHBondContact CD-OD1 3.01Å; K206-D231 WeakPolarHBondContact CE-OD1 3.14Å; K206-D231 VanDerWaalsContact NZ-CG 3.32Å; K206-D231 IonicContact NZ-OD1 3.75Å; K206-D231 PolarHBondContact NZ-OD1 3.32Å; K206-D231 IonicContact NZ-OD2 3.91Å; K206-D231 PolarHBondContact NZ-OD2 3.42Å; M224-D231 HydrophobicContact CE-CB 4.03Å; M224-D231 WeakPolarHBondContact CE-OD1 3.35Å; M224-D231 HydrophobicContact CG-CB 4.4Å; G228-D231 WeakPolarHBondContact CA-OD2 3.32Å; G228-D231 PolarHBondContact N-OD2 3.44Å; G228-D231 WeakPolarHBondContact O-CB 3.45Å; G228-D231 PolarHBondContact O-N 3.09Å; A229-D231 PolarHBondContact O-N 3.11Å; D231-E233 VanDerWaalsContact C-N 3.31Å; D231-E233 PolarHBondContact O-N 3.38Å; D231-A234 VanDerWaalsContact O-CB 3.29Å; D231-A234 WeakPolarHBondContact O-CB 3.38Å; D231-A234 PolarHBondContact O-N 3.17Å; D231-F241 HydrophobicContact CB-CD2 4.24Å; D231-F241 HydrophobicContact CB-CE2 3.47Å; D231-F241 VanDerWaalsContact CB-CE2 3.47Å; D231-F241 HydrophobicContact CB-CZ 4.13Å; D231-F241 WeakPolarHBondContact O-CD2 3.45Å
232	V	96.3	Very high	97.2	Very high	26 Å²	26	21.6 Å²	21.6	16%	0.158	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-45.2	170.1	-178.7	0	0	0	0	110.2	G228 A229 A234 S235 F241 V253 R256	G228-V232 PolarHBondContact O-N 2.95Å; A229-V232 WeakPolarHBondContact O-CB 3.36Å; A229-V232 PolarHBondContact O-N 3.32Å; V232-A234 PolarHBondContact O-N 3.18Å; V232-A234 VanDerWaalsContact O-N 3.12Å; V232-S235 PolarHBondContact O-N 3.04Å; V232-F241 HydrophobicContact CB-CE1 4.33Å; V232-F241 HydrophobicContact CG2-CD1 4.13Å; V232-F241 HydrophobicContact CG2-CE1 3.5Å; V232-F241 VanDerWaalsContact CG2-CE1 3.5Å; V232-F241 HydrophobicContact CG2-CZ 3.78Å; V232-V253 HydrophobicContact CG2-CB 4.26Å; V232-V253 HydrophobicContact CG2-CG1 3.8Å; V232-V253 HydrophobicContact CG2-CG2 4Å; V232-R256 HydrophobicContact CG1-CB 4.08Å
233	E	94.8	Very high	97.2	Very high	84 Å²	84	21.6 Å²	21.6	39%	0.393	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.4	179.2	-72.7	171.9	-162.7	0	0	113	G200 P207 A229 D231 S235	G200-E233 WeakPolarHBondContact CA-OE2 3.48Å; G200-E233 PolarHBondContact N-OE2 3.43Å; P207-E233 HydrophobicContact CG-CB 4.33Å; P207-E233 WeakPolarHBondContact CG-O 3.45Å; A229-E233 WeakPolarHBondContact O-CG 3.47Å; A229-E233 PolarHBondContact O-N 3.33Å; A229-E233 VanDerWaalsContact O-N 3.12Å; D231-E233 VanDerWaalsContact C-N 3.31Å; D231-E233 PolarHBondContact O-N 3.38Å; E233-S235 PolarHBondContact O-N 2.95Å
234	A	96.7	Very high	97.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-9.1	-178.6	0	0	0	0	0	114	K206 I210 M224 D231 V232 P236 P237 A238	K206-A234 HydrophobicContact CB-CB 3.88Å; I210-A234 HydrophobicContact CD1-CB 3.33Å; M224-A234 HydrophobicContact CB-CB 4.36Å; M224-A234 HydrophobicContact CG-CB 3.89Å; M224-A234 HydrophobicContact SD-CB 4.48Å; D231-A234 VanDerWaalsContact O-CB 3.29Å; D231-A234 WeakPolarHBondContact O-CB 3.38Å; D231-A234 PolarHBondContact O-N 3.17Å; V232-A234 PolarHBondContact O-N 3.18Å; V232-A234 VanDerWaalsContact O-N 3.12Å; A234-P236 CarbonylContact C-O 3.59Å; A234-P236 CarbonylContact O-C 3.51Å; A234-P237 VanDerWaalsContact O-CD 3.29Å; A234-P237 WeakPolarHBondContact O-CD 3.33Å; A234-P237 VanDerWaalsContact O-N 3.09Å; A234-A238 WeakPolarHBondContact O-CB 3.4Å; A234-A238 PolarHBondContact O-N 3.48Å
235	S	96.5	Very high	97.1	Very high	40 Å²	40	21.9 Å²	21.9	28%	0.28	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	106.8	174.1	-172.3	0	0	0	0	110.7	V232 E233 A238	V232-S235 PolarHBondContact O-N 3.04Å; E233-S235 PolarHBondContact O-N 2.95Å; S235-A238 PolarHBondContact OG-O 2.87Å
236	P	96.4	Very high	97.1	Very high	83 Å²	83	23.6 Å²	23.6	54%	0.539	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	cis	-74.4	155.3	-0.5	31.5	-35.9	0	0	0	113.3	A234	A234-P236 CarbonylContact C-O 3.59Å; A234-P236 CarbonylContact O-C 3.51Å
237	P	97.5	Very high	97	Very high	38 Å²	38	26 Å²	26	25%	0.247	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.1	-1.8	20.7	35.4	-35.4	0	0	0	117	P207 I210 A211 K214 A234	P207-P237 VanDerWaalsContact O-CG 3.23Å; P207-P237 WeakPolarHBondContact O-CG 3.44Å; I210-P237 HydrophobicContact CB-CG 4.05Å; I210-P237 HydrophobicContact CG2-CG 3.93Å; A211-P237 HydrophobicContact CB-CG 4.03Å; K214-P237 WeakPolarHBondContact CD-O 3.33Å; K214-P237 PolarHBondContact NZ-O 3.46Å; K214-P237 VanDerWaalsContact NZ-O 3.11Å; A234-P237 VanDerWaalsContact O-CD 3.29Å; A234-P237 WeakPolarHBondContact O-CD 3.33Å; A234-P237 VanDerWaalsContact O-N 3.09Å
238	A	98.5	Very high	96.9	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.033	18%	0.182	C	C	.	.	S	Bend	trans	-60.3	142.1	165.9	0	0	0	0	0	110.2	I210 V222 M224 A234 S235 A240	I210-A238 HydrophobicContact CD1-CB 4.05Å; I210-A238 HydrophobicContact CG2-CB 4.15Å; V222-A238 CarbonylContact O-C 3.44Å; V222-A238 WeakPolarHBondContact O-CA 3.4Å; V222-A238 WeakPolarHBondContact O-CB 3.12Å; M224-A238 HydrophobicContact CB-CB 4.02Å; A234-A238 WeakPolarHBondContact O-CB 3.4Å; A234-A238 PolarHBondContact O-N 3.48Å; S235-A238 PolarHBondContact OG-O 2.87Å; A238-A240 VanDerWaalsContact C-N 3.26Å; A238-A240 PolarHBondContact O-N 2.92Å
239	D	98.6	Very high	97	Very high	68 Å²	68	32.3 Å²	32.3	36%	0.364	20%	0.2	S	C	.	.	S	Bend	trans	-73.8	-23.8	-179.2	-55.4	-74.4	0	0	0	111.4	V52 K214 T221 V222	V52-D239 HydrophobicContact CG1-CB 3.89Å; K214-D239 IonicContact NZ-OD1 2.67Å; K214-D239 PolarHBondContact NZ-OD1 2.85Å; K214-D239 IonicContact NZ-OD2 3.82Å; K214-D239 PolarHBondContact NZ-OD2 2.83Å; T221-D239 WeakPolarHBondContact CA-OD2 3.36Å; T221-D239 HydrophobicContact CG2-CB 4.36Å; V222-D239 PolarHBondContact N-OD2 2.82Å; V222-D239 PolarHBondContact O-N 3.46Å
240	A	98.3	Very high	97.1	Very high	5 Å²	5	34.2 Å²	34.2	4%	0.041	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	155.2	166.2	0	0	0	0	0	112.5	V49 V52 V223 M224 A238	V49-A240 HydrophobicContact CG1-CB 3.91Å; V49-A240 HydrophobicContact CG2-CB 4.39Å; V52-A240 HydrophobicContact CB-CB 4.09Å; V52-A240 HydrophobicContact CG1-CB 3.72Å; V223-A240 HydrophobicContact CG1-CB 4.45Å; V223-A240 HydrophobicContact CG2-CB 4.37Å; M224-A240 PolarHBondContact N-O 3.07Å; A238-A240 VanDerWaalsContact C-N 3.26Å; A238-A240 PolarHBondContact O-N 2.92Å
241	F	98.6	Very high	97.3	Very high	14 Å²	14	38.8 Å²	38.8	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.7	166.8	169.3	-109.9	0	0	0	109.8	M224 G226 D231 V232 V253 A257	M224-F241 HydrophobicContact CB-CD2 4.25Å; M224-F241 HydrophobicContact CG-CD2 4.14Å; M224-F241 CarbonylContact O-C 3.21Å; M224-F241 WeakPolarHBondContact O-CA 3.22Å; G226-F241 WeakPolarHBondContact O-CZ 3.39Å; D231-F241 HydrophobicContact CB-CD2 4.24Å; D231-F241 HydrophobicContact CB-CE2 3.47Å; D231-F241 VanDerWaalsContact CB-CE2 3.47Å; D231-F241 HydrophobicContact CB-CZ 4.13Å; D231-F241 WeakPolarHBondContact O-CD2 3.45Å; V232-F241 HydrophobicContact CB-CE1 4.33Å; V232-F241 HydrophobicContact CG2-CD1 4.13Å; V232-F241 HydrophobicContact CG2-CE1 3.5Å; V232-F241 VanDerWaalsContact CG2-CE1 3.5Å; V232-F241 HydrophobicContact CG2-CZ 3.78Å; F241-V253 HydrophobicContact CE1-CG1 3.87Å; F241-V253 HydrophobicContact CZ-CG1 3.71Å; F241-A257 HydrophobicContact CD1-CB 4.17Å; F241-A257 HydrophobicContact CE1-CB 3.84Å
242	I	98.8	Very high	97.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.2	172.9	-54.9	176.5	0	0	0	107.5	V49 W53 V223 M224 V225 G226 W259 V261 L267	V49-I242 HydrophobicContact CG1-CG1 3.9Å; W53-I242 HydrophobicContact CB-CD1 4.28Å; W53-I242 HydrophobicContact CD2-CD1 3.86Å; W53-I242 HydrophobicContact CE3-CD1 3.55Å; W53-I242 HydrophobicContact CG-CD1 4.19Å; W53-I242 HydrophobicContact CZ3-CD1 4.14Å; V223-I242 HydrophobicContact CG1-CD1 3.72Å; V223-I242 HydrophobicContact CG1-CG1 3.88Å; M224-I242 PolarHBondContact O-N 3.31Å; V225-I242 WeakPolarHBondContact CA-O 3.26Å; V225-I242 HydrophobicContact CG1-CB 4.45Å; V225-I242 HydrophobicContact CG2-CB 4.2Å; V225-I242 HydrophobicContact CG2-CD1 4.28Å; G226-I242 PolarHBondContact N-O 3.42Å; I242-W259 HydrophobicContact CD1-CE3 3.5Å; I242-W259 VanDerWaalsContact CD1-CE3 3.5Å; I242-W259 HydrophobicContact CD1-CZ3 3.56Å; I242-W259 HydrophobicContact CG1-CE3 3.76Å; I242-W259 HydrophobicContact CG1-CZ3 4.34Å; I242-W259 HydrophobicContact CG2-CD2 4.33Å; I242-W259 HydrophobicContact CG2-CE3 4.09Å; I242-V261 HydrophobicContact CG2-CG2 4.14Å; I242-L267 HydrophobicContact CD1-CD2 4.22Å; I242-L267 HydrophobicContact CG2-CD1 4.33Å; I242-L267 HydrophobicContact CG2-CD2 3.95Å
243	G	98.7	Very high	97.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	133	176.3	0	0	0	0	0	110.9	G226 W259 Y260 V261	G226-G243 WeakPolarHBondContact O-CA 3.39Å; G243-W259 PolarHBondContact N-O 3.11Å; G243-Y260 CarbonylContact O-C 3.59Å; G243-Y260 WeakPolarHBondContact O-CA 3.32Å; G243-V261 PolarHBondContact O-N 2.89Å
244	F	98.8	Very high	97.2	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.3	175	-173.5	-105	0	0	0	110.8	T66 T132 V225 G226 D227 G246 Y260 V261 F264	T66-F244 HydrophobicContact CG2-CB 4.36Å; T66-F244 HydrophobicContact CG2-CD1 4.23Å; T66-F244 HydrophobicContact CG2-CG 4.42Å; T132-F244 HydrophobicContact CG2-CE1 3.9Å; T132-F244 HydrophobicContact CG2-CZ 3.58Å; V225-F244 HydrophobicContact CG1-CB 4.42Å; G226-F244 PolarHBondContact O-N 3.11Å; D227-F244 VanDerWaalsContact CA-O 3.31Å; D227-F244 WeakPolarHBondContact CA-O 3.39Å; D227-F244 VanDerWaalsContact CB-O 3.22Å; D227-F244 WeakPolarHBondContact CB-O 3.48Å; F244-G246 VanDerWaalsContact CE1-N 3.35Å; F244-G246 VanDerWaalsContact CZ-CA 3.48Å; F244-Y260 PolarHBondContact O-OH 3.34Å; F244-V261 CarbonylContact C-O 3.52Å; F244-V261 WeakPolarHBondContact CA-O 3.49Å; F244-V261 HydrophobicContact CD2-CG2 4.06Å; F244-F264 HydrophobicContact CD1-CZ 4.18Å; F244-F264 HydrophobicContact CD2-CD1 4.08Å; F244-F264 AromaticContact CD2-CE1 3.6Å; F244-F264 HydrophobicContact CD2-CE1 3.6Å; F244-F264 HydrophobicContact CD2-CE2 4.41Å; F244-F264 AromaticContact CD2-CZ 3.79Å; F244-F264 HydrophobicContact CD2-CZ 3.79Å; F244-F264 HydrophobicContact CE1-CE2 4.09Å; F244-F264 HydrophobicContact CE1-CZ 4.02Å; F244-F264 AromaticContact CE2-CD1 3.85Å; F244-F264 HydrophobicContact CE2-CD1 3.85Å; F244-F264 AromaticContact CE2-CD2 3.97Å; F244-F264 HydrophobicContact CE2-CD2 3.97Å; F244-F264 AromaticContact CE2-CE1 3.68Å; F244-F264 HydrophobicContact CE2-CE1 3.68Å; F244-F264 AromaticContact CE2-CE2 3.8Å; F244-F264 HydrophobicContact CE2-CE2 3.8Å; F244-F264 AromaticContact CE2-CG 4Å; F244-F264 HydrophobicContact CE2-CG 4Å; F244-F264 AromaticContact CE2-CZ 3.65Å; F244-F264 HydrophobicContact CE2-CZ 3.65Å; F244-F264 HydrophobicContact CG-CE1 4.18Å; F244-F264 HydrophobicContact CG-CZ 4.07Å; F244-F264 HydrophobicContact CZ-CD2 4Å; F244-F264 HydrophobicContact CZ-CE1 4.28Å; F244-F264 AromaticContact CZ-CE2 3.62Å; F244-F264 HydrophobicContact CZ-CE2 3.62Å; F244-F264 HydrophobicContact CZ-CG 4.48Å; F244-F264 AromaticContact CZ-CZ 3.77Å; F244-F264 HydrophobicContact CZ-CZ 3.77Å
245	G	97.8	Very high	97.1	Very high	5 Å²	5	44.6 Å²	44.6	5%	0.052	27%	0.266	C	S	.	.			trans	-139.4	18	-178.5	0	0	0	0	0	114.5	N247 I249 Y260 V261	G245-N247 VanDerWaalsContact C-N 3.3Å; G245-N247 PolarHBondContact O-N 3.23Å; G245-I249 WeakPolarHBondContact O-CG1 3.23Å; G245-Y260 WeakPolarHBondContact CA-OH 3.35Å; G245-V261 PolarHBondContact N-O 3.2Å
246	G	97.6	Very high	97	Very high	36 Å²	36	49.2 Å²	49.2	37%	0.371	28%	0.278	S	S	.	.	S	Bend	trans	-69.7	-27.1	-176.8	0	0	0	0	0	113.9	F244 T262	F244-G246 VanDerWaalsContact CE1-N 3.35Å; F244-G246 VanDerWaalsContact CZ-CA 3.48Å; G246-T262 WeakPolarHBondContact CA-O 3.34Å
247	N	97.2	Very high	97	Very high	51 Å²	51	46 Å²	46	27%	0.273	26%	0.258	S	S	.	.	S	Bend	trans	-104.2	-49.8	176.7	-56.6	-47.4	0	0	0	111.9	S65 C68 Q69 T132 G245	S65-N247 WeakPolarHBondContact O-CB 3.27Å; S65-N247 PolarHBondContact O-ND2 3.1Å; C68-N247 PolarHBondContact O-ND2 3.42Å; Q69-N247 WeakPolarHBondContact CG-OD1 3.13Å; T132-N247 PolarHBondContact OG1-ND2 2.79Å; G245-N247 VanDerWaalsContact C-N 3.3Å; G245-N247 PolarHBondContact O-N 3.23Å
248	V	95.6	Very high	97	Very high	55 Å²	55	48.8 Å²	48.8	33%	0.333	27%	0.266	S	S	.	.			trans	-134.8	123.6	-179	-177.5	0	0	0	0	109.7	R250	V248-R250 HydrophobicContact CG1-CG 4.15Å
249	I	97.1	Very high	96.9	Very high	87 Å²	87	48.9 Å²	48.9	45%	0.446	27%	0.266	S	S	.	.			trans	-89	116	172.4	-61.7	176.6	0	0	0	108.9	G245 K254	G245-I249 WeakPolarHBondContact O-CG1 3.23Å; I249-K254 HydrophobicContact CG2-CD 4.23Å
250	R	95.3	Very high	96.9	Very high	88 Å²	88	47.7 Å²	47.7	33%	0.332	26%	0.256	S	S	.	.			trans	-103.3	106	171.7	-55.3	-168.2	-163.2	-95.8	-1.6	109.2	E71 D227 V248 G252 V253 K254	E71-R250 IonicContact OE1-NH2 3.48Å; D227-R250 VanDerWaalsContact O-CD 3.22Å; D227-R250 WeakPolarHBondContact O-CD 3.39Å; D227-R250 IonicContact OD2-CZ 2.75Å; D227-R250 IonicContact OD2-NE 2.89Å; D227-R250 PolarHBondContact OD2-NE 3.44Å; D227-R250 IonicContact OD2-NH2 3.6Å; D227-R250 PolarHBondContact OD2-NH2 3.34Å; V248-R250 HydrophobicContact CG1-CG 4.15Å; R250-G252 PolarHBondContact O-N 3.16Å; R250-G252 VanDerWaalsContact O-N 3.15Å; R250-V253 HydrophobicContact CB-CB 4.1Å; R250-V253 HydrophobicContact CB-CG2 3.98Å; R250-V253 WeakPolarHBondContact O-CA 3.2Å; R250-V253 WeakPolarHBondContact O-CB 3.2Å; R250-V253 PolarHBondContact O-N 3.37Å; R250-K254 PolarHBondContact O-N 3.03Å
251	E	95.9	Very high	96.9	Very high	129 Å²	129	47.8 Å²	47.8	60%	0.603	26%	0.257	S	S	*	.	H	α-helix	trans	-54.1	-39	-175.2	-67.8	-57.4	146.4	0	0	113.3	V253 K254 A255	E251-V253 VanDerWaalsContact C-N 3.27Å; E251-V253 PolarHBondContact O-N 3.46Å; E251-K254 PolarHBondContact O-N 2.89Å; E251-A255 WeakPolarHBondContact O-CB 3.39Å; E251-A255 PolarHBondContact O-N 3.43Å
252	G	93.8	Very high	96.9	Very high	41 Å²	41	51 Å²	51	42%	0.423	28%	0.278	S	S	.	.	H	α-helix	trans	-63.9	-29.7	175.8	0	0	0	0	0	113.8	R250 R256	R250-G252 PolarHBondContact O-N 3.16Å; R250-G252 VanDerWaalsContact O-N 3.15Å; G252-R256 WeakPolarHBondContact O-CG 3.16Å; G252-R256 PolarHBondContact O-NE 3.03Å; G252-R256 PolarHBondContact O-NH2 2.66Å
253	V	95.7	Very high	96.9	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-81.1	-45.7	175.9	176	0	0	0	0	110.2	D227 G228 V232 F241 R250 E251 A255 R256 A257 Y260	D227-V253 VanDerWaalsContact O-CG2 3.3Å; D227-V253 WeakPolarHBondContact O-CG2 3.35Å; G228-V253 VanDerWaalsContact C-CG2 3.49Å; G228-V253 WeakPolarHBondContact O-CG2 3.26Å; V232-V253 HydrophobicContact CG2-CB 4.26Å; V232-V253 HydrophobicContact CG2-CG1 3.8Å; V232-V253 HydrophobicContact CG2-CG2 4Å; F241-V253 HydrophobicContact CE1-CG1 3.87Å; F241-V253 HydrophobicContact CZ-CG1 3.71Å; R250-V253 HydrophobicContact CB-CB 4.1Å; R250-V253 HydrophobicContact CB-CG2 3.98Å; R250-V253 WeakPolarHBondContact O-CA 3.2Å; R250-V253 WeakPolarHBondContact O-CB 3.2Å; R250-V253 PolarHBondContact O-N 3.37Å; E251-V253 VanDerWaalsContact C-N 3.27Å; E251-V253 PolarHBondContact O-N 3.46Å; V253-A255 VanDerWaalsContact C-N 3.26Å; V253-A255 PolarHBondContact O-N 3.02Å; V253-R256 PolarHBondContact O-N 3.38Å; V253-A257 PolarHBondContact O-N 3.37Å; V253-Y260 HydrophobicContact CG1-CE2 4.31Å
254	K	96.8	Very high	96.9	Very high	98 Å²	98	54.5 Å²	54.5	43%	0.426	30%	0.296	S	S	.	.	H	α-helix	trans	-54.2	-42	175.2	-175.9	178.1	177.9	-177.1	0	112.6	I249 R250 E251 R256 Y260	I249-K254 HydrophobicContact CG2-CD 4.23Å; R250-K254 PolarHBondContact O-N 3.03Å; E251-K254 PolarHBondContact O-N 2.89Å; K254-R256 VanDerWaalsContact C-N 3.28Å; K254-R256 PolarHBondContact O-N 3.36Å; K254-Y260 HydrophobicContact CB-CD1 4.48Å; K254-Y260 HydrophobicContact CB-CD2 4.02Å; K254-Y260 HydrophobicContact CB-CE1 4.28Å; K254-Y260 HydrophobicContact CB-CE2 3.84Å; K254-Y260 HydrophobicContact CB-CG 4.34Å; K254-Y260 HydrophobicContact CD-CD1 4.38Å; K254-Y260 HydrophobicContact CD-CE1 4.23Å; K254-Y260 HydrophobicContact CG-CD1 3.96Å; K254-Y260 HydrophobicContact CG-CD2 4.2Å; K254-Y260 HydrophobicContact CG-CE1 4.08Å; K254-Y260 HydrophobicContact CG-CE2 4.36Å; K254-Y260 HydrophobicContact CG-CG 4.01Å
255	A	95.2	Very high	96.8	Very high	90 Å²	90	56.4 Å²	56.4	74%	0.744	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.5	178	0	0	0	0	0	114.3	E251 V253	E251-A255 WeakPolarHBondContact O-CB 3.39Å; E251-A255 PolarHBondContact O-N 3.43Å; V253-A255 VanDerWaalsContact C-N 3.26Å; V253-A255 PolarHBondContact O-N 3.02Å
256	R	94.7	Very high	96.8	Very high	138 Å²	138	59.3 Å²	59.3	52%	0.521	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-20.2	-178.1	-70.1	-175.2	-63.1	-127.4	0.9	113.6	V232 G252 V253 K254	V232-R256 HydrophobicContact CG1-CB 4.08Å; G252-R256 WeakPolarHBondContact O-CG 3.16Å; G252-R256 PolarHBondContact O-NE 3.03Å; G252-R256 PolarHBondContact O-NH2 2.66Å; V253-R256 PolarHBondContact O-N 3.38Å; K254-R256 VanDerWaalsContact C-N 3.28Å; K254-R256 PolarHBondContact O-N 3.36Å
257	A	96.4	Very high	96.9	Very high	16 Å²	16	57.6 Å²	57.6	13%	0.132	31%	0.306	C	S	.	.			trans	-75.1	124.2	177.5	0	0	0	0	0	110.3	F241 V253 W259 Y260	F241-A257 HydrophobicContact CD1-CB 4.17Å; F241-A257 HydrophobicContact CE1-CB 3.84Å; V253-A257 PolarHBondContact O-N 3.37Å; A257-W259 VanDerWaalsContact C-N 3.26Å; A257-Y260 HydrophobicContact CB-CD2 3.91Å
258	K	96.8	Very high	96.9	Very high	96 Å²	96	58.2 Å²	58.2	42%	0.417	30%	0.304	S	S	.	.	S	Bend	trans	-68.8	-28.4	171.4	-74.4	-178.9	171.5	-173.9	0	112.1	H45 E48 V49	H45-K258 HydrophobicContact CB-CB 4.21Å; H45-K258 HydrophobicContact CB-CD 4.03Å; H45-K258 HydrophobicContact CB-CG 4.01Å; E48-K258 IonicContact OE2-NZ 3.35Å; E48-K258 PolarHBondContact OE2-NZ 3.28Å; V49-K258 HydrophobicContact CG2-CB 3.64Å; V49-K258 HydrophobicContact CG2-CD 4.06Å
259	W	98.2	Very high	97	Very high	5 Å²	5	61.5 Å²	61.5	2%	0.019	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.6	168.9	-172.6	28.3	0	0	0	109.1	E46 V49 K50 W53 I242 G243 A257 V261 V266 L267 D270	E46-W259 HydrophobicContact CG-CB 4.14Å; E46-W259 HydrophobicContact CG-CG 3.91Å; V49-W259 HydrophobicContact CB-CB 4.03Å; V49-W259 HydrophobicContact CG1-CB 3.79Å; V49-W259 HydrophobicContact CG1-CD2 4.49Å; V49-W259 HydrophobicContact CG1-CE3 3.81Å; K50-W259 HydrophobicContact CD-CZ2 4.38Å; K50-W259 HydrophobicContact CG-CD2 4.08Å; K50-W259 HydrophobicContact CG-CE3 4.06Å; K50-W259 HydrophobicContact CG-CH2 3.79Å; K50-W259 HydrophobicContact CG-CZ2 3.83Å; K50-W259 HydrophobicContact CG-CZ3 3.92Å; W53-W259 HydrophobicContact CB-CZ3 3.85Å; W53-W259 AromaticContact CD1-CH2 3.77Å; W53-W259 AromaticContact CD1-CZ3 3.66Å; W53-W259 HydrophobicContact CD2-CZ3 4.31Å; W53-W259 HydrophobicContact CG-CH2 4.24Å; W53-W259 AromaticContact CG-CZ3 3.66Å; W53-W259 HydrophobicContact CG-CZ3 3.66Å; I242-W259 HydrophobicContact CD1-CE3 3.5Å; I242-W259 VanDerWaalsContact CD1-CE3 3.5Å; I242-W259 HydrophobicContact CD1-CZ3 3.56Å; I242-W259 HydrophobicContact CG1-CE3 3.76Å; I242-W259 HydrophobicContact CG1-CZ3 4.34Å; I242-W259 HydrophobicContact CG2-CD2 4.33Å; I242-W259 HydrophobicContact CG2-CE3 4.09Å; G243-W259 PolarHBondContact N-O 3.11Å; A257-W259 VanDerWaalsContact C-N 3.26Å; W259-V261 HydrophobicContact CD2-CG1 4.42Å; W259-V261 HydrophobicContact CZ2-CG1 4.23Å; W259-V266 HydrophobicContact CZ2-CG1 4.18Å; W259-L267 HydrophobicContact CD2-CD2 4.36Å; W259-L267 HydrophobicContact CE3-CD2 4.07Å; W259-L267 HydrophobicContact CH2-CD2 3.31Å; W259-L267 HydrophobicContact CZ2-CD2 3.6Å; W259-L267 HydrophobicContact CZ3-CD2 3.56Å; W259-D270 HydrophobicContact CH2-CB 3.88Å; W259-D270 HydrophobicContact CZ2-CB 4.3Å
260	Y	98.3	Very high	97	Very high	43 Å²	43	58 Å²	58	17%	0.169	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.8	-177.8	-166.8	-91.4	0	0	0	109.7	G243 F244 G245 V253 K254 A257 T262	G243-Y260 CarbonylContact O-C 3.59Å; G243-Y260 WeakPolarHBondContact O-CA 3.32Å; F244-Y260 PolarHBondContact O-OH 3.34Å; G245-Y260 WeakPolarHBondContact CA-OH 3.35Å; V253-Y260 HydrophobicContact CG1-CE2 4.31Å; K254-Y260 HydrophobicContact CB-CD1 4.48Å; K254-Y260 HydrophobicContact CB-CD2 4.02Å; K254-Y260 HydrophobicContact CB-CE1 4.28Å; K254-Y260 HydrophobicContact CB-CE2 3.84Å; K254-Y260 HydrophobicContact CB-CG 4.34Å; K254-Y260 HydrophobicContact CD-CD1 4.38Å; K254-Y260 HydrophobicContact CD-CE1 4.23Å; K254-Y260 HydrophobicContact CG-CD1 3.96Å; K254-Y260 HydrophobicContact CG-CD2 4.2Å; K254-Y260 HydrophobicContact CG-CE1 4.08Å; K254-Y260 HydrophobicContact CG-CE2 4.36Å; K254-Y260 HydrophobicContact CG-CG 4.01Å; A257-Y260 HydrophobicContact CB-CD2 3.91Å; Y260-T262 HydrophobicContact CE1-CG2 4.17Å
261	V	98.4	Very high	97	Very high	7 Å²	7	54 Å²	54	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.2	-178.3	-60.7	0	0	0	0	110.9	I242 G243 F244 G245 W259 V266 L267	I242-V261 HydrophobicContact CG2-CG2 4.14Å; G243-V261 PolarHBondContact O-N 2.89Å; F244-V261 CarbonylContact C-O 3.52Å; F244-V261 WeakPolarHBondContact CA-O 3.49Å; F244-V261 HydrophobicContact CD2-CG2 4.06Å; G245-V261 PolarHBondContact N-O 3.2Å; W259-V261 HydrophobicContact CD2-CG1 4.42Å; W259-V261 HydrophobicContact CZ2-CG1 4.23Å; V261-V266 HydrophobicContact CG1-CB 4.19Å; V261-V266 HydrophobicContact CG1-CG1 3.81Å; V261-L267 HydrophobicContact CB-CD2 4.41Å; V261-L267 HydrophobicContact CG1-CD2 3.79Å; V261-L267 HydrophobicContact CG2-CD1 4.12Å; V261-L267 HydrophobicContact CG2-CD2 3.84Å; V261-L267 HydrophobicContact CG2-CG 3.92Å
262	T	98.4	Very high	96.6	Very high	82 Å²	82	51.3 Å²	51.3	50%	0.503	27%	0.271	S	S	.	.	S	Bend	trans	-116	1.4	176	56.5	0	0	0	0	112.4	G246 Y260	G246-T262 WeakPolarHBondContact CA-O 3.34Å; Y260-T262 HydrophobicContact CE1-CG2 4.17Å
263	D	98.3	Very high	96	Very high	74 Å²	74	54 Å²	54	40%	0.396	27%	0.272	S	S	.	.			trans	-144.6	126.1	-177.8	-174.9	-14.5	0	0	0	108.7	D265 V266	D263-D265 PolarHBondContact O-N 2.88Å; D263-D265 WeakPolarHBondContact OD1-CB 3.43Å; D263-D265 PolarHBondContact OD1-N 3.13Å; D263-V266 HydrophobicContact CB-CG2 4.29Å; D263-V266 WeakPolarHBondContact O-CB 3.36Å; D263-V266 PolarHBondContact O-N 3.21Å
264	F	98.6	Very high	94.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.6	-21.7	178.7	-77.2	-51.7	0	0	0	113.1	F61 T66 T132 I135 L138 V225 F244 V266 L267 R268	F61-F264 HydrophobicContact CD1-CE1 4.5Å; F61-F264 HydrophobicContact CE1-CE1 4.1Å; T66-F264 HydrophobicContact CG2-CZ 4.05Å; T66-F264 WeakPolarHBondContact O-CE2 3.45Å; T66-F264 WeakPolarHBondContact O-CZ 3.46Å; T132-F264 HydrophobicContact CG2-CD2 3.78Å; T132-F264 HydrophobicContact CG2-CE2 3.52Å; I135-F264 HydrophobicContact CB-CD2 3.73Å; I135-F264 HydrophobicContact CB-CE2 3.82Å; I135-F264 HydrophobicContact CD1-CD1 4.3Å; I135-F264 HydrophobicContact CD1-CD2 4.04Å; I135-F264 HydrophobicContact CD1-CE1 4.09Å; I135-F264 HydrophobicContact CD1-CE2 3.79Å; I135-F264 HydrophobicContact CD1-CG 4.29Å; I135-F264 HydrophobicContact CD1-CZ 3.83Å; I135-F264 HydrophobicContact CG1-CD2 4.36Å; I135-F264 HydrophobicContact CG1-CE2 4.1Å; L138-F264 HydrophobicContact CB-CB 4.45Å; L138-F264 HydrophobicContact CD2-CB 4.03Å; L138-F264 HydrophobicContact CD2-CD1 3.47Å; L138-F264 VanDerWaalsContact CD2-CD1 3.47Å; L138-F264 HydrophobicContact CD2-CE1 4.19Å; L138-F264 HydrophobicContact CD2-CG 3.98Å; V225-F264 HydrophobicContact CG1-CE1 4.31Å; F244-F264 HydrophobicContact CD1-CZ 4.18Å; F244-F264 HydrophobicContact CD2-CD1 4.08Å; F244-F264 AromaticContact CD2-CE1 3.6Å; F244-F264 HydrophobicContact CD2-CE1 3.6Å; F244-F264 HydrophobicContact CD2-CE2 4.41Å; F244-F264 AromaticContact CD2-CZ 3.79Å; F244-F264 HydrophobicContact CD2-CZ 3.79Å; F244-F264 HydrophobicContact CE1-CE2 4.09Å; F244-F264 HydrophobicContact CE1-CZ 4.02Å; F244-F264 AromaticContact CE2-CD1 3.85Å; F244-F264 HydrophobicContact CE2-CD1 3.85Å; F244-F264 AromaticContact CE2-CD2 3.97Å; F244-F264 HydrophobicContact CE2-CD2 3.97Å; F244-F264 AromaticContact CE2-CE1 3.68Å; F244-F264 HydrophobicContact CE2-CE1 3.68Å; F244-F264 AromaticContact CE2-CE2 3.8Å; F244-F264 HydrophobicContact CE2-CE2 3.8Å; F244-F264 AromaticContact CE2-CG 4Å; F244-F264 HydrophobicContact CE2-CG 4Å; F244-F264 AromaticContact CE2-CZ 3.65Å; F244-F264 HydrophobicContact CE2-CZ 3.65Å; F244-F264 HydrophobicContact CG-CE1 4.18Å; F244-F264 HydrophobicContact CG-CZ 4.07Å; F244-F264 HydrophobicContact CZ-CD2 4Å; F244-F264 HydrophobicContact CZ-CE1 4.28Å; F244-F264 AromaticContact CZ-CE2 3.62Å; F244-F264 HydrophobicContact CZ-CE2 3.62Å; F244-F264 HydrophobicContact CZ-CG 4.48Å; F244-F264 AromaticContact CZ-CZ 3.77Å; F244-F264 HydrophobicContact CZ-CZ 3.77Å; F264-V266 PolarHBondContact O-N 3.29Å; F264-L267 HydrophobicContact CD1-CD1 4.05Å; F264-L267 HydrophobicContact CE1-CD1 4.42Å; F264-L267 PolarHBondContact O-N 2.9Å; F264-L267 VanDerWaalsContact O-N 3.12Å; F264-R268 PolarHBondContact O-N 2.8Å
265	D	97.6	Very high	92.2	Very high	40 Å²	40	58.6 Å²	58.6	21%	0.214	30%	0.299	C	S	.	.	H	α-helix	trans	-64	-26.8	176.4	-164	50.9	0	0	0	112.2	D263 R268 K269	D263-D265 PolarHBondContact O-N 2.88Å; D263-D265 WeakPolarHBondContact OD1-CB 3.43Å; D263-D265 PolarHBondContact OD1-N 3.13Å; D265-R268 PolarHBondContact O-N 3.5Å; D265-R268 IonicContact OD1-CZ 3.91Å; D265-R268 IonicContact OD1-NE 2.95Å; D265-R268 PolarHBondContact OD1-NE 2.81Å; D265-R268 IonicContact OD1-NH2 2.58Å; D265-R268 PolarHBondContact OD1-NH2 3.46Å; D265-R268 IonicContact OD2-NH2 3.41Å; D265-K269 WeakPolarHBondContact O-CB 3.42Å; D265-K269 VanDerWaalsContact O-CG 3.28Å; D265-K269 WeakPolarHBondContact O-CG 3.18Å; D265-K269 PolarHBondContact O-N 3.41Å; D265-K269 WeakPolarHBondContact OD2-CD 3.3Å; D265-K269 WeakPolarHBondContact OD2-CE 3.24Å; D265-K269 IonicContact OD2-NZ 2.64Å; D265-K269 PolarHBondContact OD2-NZ 3.25Å
266	V	97.9	Very high	90.1	Very high	67 Å²	67	58.5 Å²	58.5	41%	0.406	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-47.7	172.3	177.8	0	0	0	0	110.6	W259 V261 D263 F264 D270	W259-V266 HydrophobicContact CZ2-CG1 4.18Å; V261-V266 HydrophobicContact CG1-CB 4.19Å; V261-V266 HydrophobicContact CG1-CG1 3.81Å; D263-V266 HydrophobicContact CB-CG2 4.29Å; D263-V266 WeakPolarHBondContact O-CB 3.36Å; D263-V266 PolarHBondContact O-N 3.21Å; F264-V266 PolarHBondContact O-N 3.29Å; V266-D270 WeakPolarHBondContact O-CB 3.44Å; V266-D270 PolarHBondContact O-N 2.9Å
267	L	98.2	Very high	87.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-41.7	178.2	-57.9	-171	0	0	0	111.3	W53 L138 V225 I242 W259 V261 F264 D270 L271	W53-L267 HydrophobicContact CH2-CB 4.43Å; W53-L267 HydrophobicContact CH2-CD1 4.4Å; W53-L267 HydrophobicContact CZ2-CB 3.71Å; W53-L267 HydrophobicContact CZ2-CD1 4.44Å; W53-L267 PolarHBondContact NE1-O 2.93Å; W53-L267 VanDerWaalsContact NE1-O 3.07Å; L138-L267 HydrophobicContact CD1-CB 4.11Å; L138-L267 HydrophobicContact CD2-CB 4.09Å; L138-L267 HydrophobicContact CD2-CD1 4.08Å; V225-L267 HydrophobicContact CG1-CD1 4.26Å; I242-L267 HydrophobicContact CD1-CD2 4.22Å; I242-L267 HydrophobicContact CG2-CD1 4.33Å; I242-L267 HydrophobicContact CG2-CD2 3.95Å; W259-L267 HydrophobicContact CD2-CD2 4.36Å; W259-L267 HydrophobicContact CE3-CD2 4.07Å; W259-L267 HydrophobicContact CH2-CD2 3.31Å; W259-L267 HydrophobicContact CZ2-CD2 3.6Å; W259-L267 HydrophobicContact CZ3-CD2 3.56Å; V261-L267 HydrophobicContact CB-CD2 4.41Å; V261-L267 HydrophobicContact CG1-CD2 3.79Å; V261-L267 HydrophobicContact CG2-CD1 4.12Å; V261-L267 HydrophobicContact CG2-CD2 3.84Å; V261-L267 HydrophobicContact CG2-CG 3.92Å; F264-L267 HydrophobicContact CD1-CD1 4.05Å; F264-L267 HydrophobicContact CE1-CD1 4.42Å; F264-L267 PolarHBondContact O-N 2.9Å; F264-L267 VanDerWaalsContact O-N 3.12Å; L267-D270 PolarHBondContact O-N 2.63Å; L267-L271 WeakPolarHBondContact O-CG 3.24Å; L267-L271 PolarHBondContact O-N 3.09Å
268	R	97.9	Very high	85.7	Confident	64 Å²	64	62 Å²	62	24%	0.242	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-47.3	179.5	-171.9	-166.4	65.1	72.4	-1.4	111.3	L138 R141 F264 D265 D270 L271 D272	L138-R268 HydrophobicContact CB-CB 4.5Å; L138-R268 HydrophobicContact CD1-CB 4.15Å; R141-R268 HydrophobicContact CB-CG 4.21Å; R141-R268 HydrophobicContact CG-CG 4.44Å; F264-R268 PolarHBondContact O-N 2.8Å; D265-R268 PolarHBondContact O-N 3.5Å; D265-R268 IonicContact OD1-CZ 3.91Å; D265-R268 IonicContact OD1-NE 2.95Å; D265-R268 PolarHBondContact OD1-NE 2.81Å; D265-R268 IonicContact OD1-NH2 2.58Å; D265-R268 PolarHBondContact OD1-NH2 3.46Å; D265-R268 IonicContact OD2-NH2 3.41Å; R268-D270 VanDerWaalsContact C-N 3.33Å; R268-L271 WeakPolarHBondContact O-CB 3.32Å; R268-L271 PolarHBondContact O-N 2.99Å; R268-D272 IonicContact NH1-OD2 3.92Å
269	K	97.1	Very high	83.1	Confident	123 Å²	123	64.7 Å²	64.7	54%	0.535	34%	0.337	S	S	.	.	H	α-helix	trans	-63.6	-38.3	177.5	-76.7	168.1	168.9	157.4	0	112.1	D265 L271 D272	D265-K269 WeakPolarHBondContact O-CB 3.42Å; D265-K269 VanDerWaalsContact O-CG 3.28Å; D265-K269 WeakPolarHBondContact O-CG 3.18Å; D265-K269 PolarHBondContact O-N 3.41Å; D265-K269 WeakPolarHBondContact OD2-CD 3.3Å; D265-K269 WeakPolarHBondContact OD2-CE 3.24Å; D265-K269 IonicContact OD2-NZ 2.64Å; D265-K269 PolarHBondContact OD2-NZ 3.25Å; K269-L271 VanDerWaalsContact C-N 3.26Å; K269-L271 PolarHBondContact O-N 2.84Å; K269-D272 PolarHBondContact O-N 3.25Å
270	D	97.2	Very high	80.3	Confident	14 Å²	14	71.9 Å²	71.9	8%	0.075	38%	0.376	C	S	.	.	H	α-helix	trans	-65.1	-29.7	178.8	-166.2	81.1	0	0	0	112.8	K50 R54 W259 V266 L267 R268 D272 H273	K50-D270 WeakPolarHBondContact CD-OD1 3.32Å; R54-D270 IonicContact CZ-OD1 3.61Å; R54-D270 IonicContact CZ-OD2 3.21Å; R54-D270 PolarHBondContact NE-O 2.96Å; R54-D270 IonicContact NE-OD1 3.01Å; R54-D270 IonicContact NE-OD2 3.77Å; R54-D270 PolarHBondContact NE-OD2 3.04Å; R54-D270 IonicContact NH2-OD1 2.65Å; R54-D270 PolarHBondContact NH2-OD1 2.63Å; R54-D270 IonicContact NH2-OD2 2.79Å; R54-D270 PolarHBondContact NH2-OD2 2.7Å; W259-D270 HydrophobicContact CH2-CB 3.88Å; W259-D270 HydrophobicContact CZ2-CB 4.3Å; V266-D270 WeakPolarHBondContact O-CB 3.44Å; V266-D270 PolarHBondContact O-N 2.9Å; L267-D270 PolarHBondContact O-N 2.63Å; R268-D270 VanDerWaalsContact C-N 3.33Å; D270-D272 PolarHBondContact O-N 3.11Å; D270-H273 WeakPolarHBondContact O-CB 3.33Å; D270-H273 PolarHBondContact O-N 3.18Å
271	L	95.8	Very high	77.2	Confident	4 Å²	4	82.7 Å²	82.7	2%	0.021	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20	173	-68	173.1	0	0	0	113.7	W53 L138 R141 L142 R145 L267 R268 K269	W53-L271 HydrophobicContact CD2-CD2 4.22Å; W53-L271 HydrophobicContact CG-CD2 4.41Å; W53-L271 HydrophobicContact CZ2-CD1 3.82Å; W53-L271 HydrophobicContact CZ2-CD2 3.9Å; W53-L271 HydrophobicContact CZ2-CG 3.85Å; L138-L271 HydrophobicContact CD1-CD1 3.97Å; R141-L271 HydrophobicContact CG-CB 4.47Å; R141-L271 HydrophobicContact CG-CD1 4.01Å; L142-L271 HydrophobicContact CD2-CD1 3.66Å; L142-L271 HydrophobicContact CD2-CD2 4.3Å; L142-L271 HydrophobicContact CG-CD1 4.05Å; R145-L271 PolarHBondContact NH1-O 3.25Å; L267-L271 WeakPolarHBondContact O-CG 3.24Å; L267-L271 PolarHBondContact O-N 3.09Å; R268-L271 WeakPolarHBondContact O-CB 3.32Å; R268-L271 PolarHBondContact O-N 2.99Å; K269-L271 VanDerWaalsContact C-N 3.26Å; K269-L271 PolarHBondContact O-N 2.84Å
272	D	87.9	Confident	76.1	Confident	72 Å²	72	86.5 Å²	86.5	39%	0.385	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-2.6	-179.5	-62.9	-32	0	0	0	112.4	R141 R268 K269 D270 D274	R141-D272 IonicContact CZ-OD1 2.77Å; R141-D272 IonicContact NE-OD1 2.76Å; R141-D272 PolarHBondContact NE-OD1 3.06Å; R141-D272 IonicContact NH2-OD1 2.7Å; R141-D272 PolarHBondContact NH2-OD1 3.33Å; R268-D272 IonicContact NH1-OD2 3.92Å; K269-D272 PolarHBondContact O-N 3.25Å; D270-D272 PolarHBondContact O-N 3.11Å; D272-D274 PolarHBondContact O-N 2.86Å
273	H	80.4	Confident	75	Confident	97 Å²	97	86.7 Å²	86.7	45%	0.449	44%	0.444	S	S	.	.			trans	-78.4	109.9	177	-144.5	-56.2	0	0	0	109.2	D270	D270-H273 WeakPolarHBondContact O-CB 3.33Å; D270-H273 PolarHBondContact O-N 3.18Å
274	D	58.3	Low	73.7	Confident	116 Å²	116	87.4 Å²	87.4	62%	0.62	45%	0.447	S	S	*	.			trans	-67.9	139.9	174.3	-88.2	-32.9	0	0	0	110.1	D272 S276	D272-D274 PolarHBondContact O-N 2.86Å; D274-S276 PolarHBondContact O-N 2.92Å
275	E	55.3	Low	72.2	Confident	83 Å²	83	92.5 Å²	92.5	39%	0.388	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-72.2	-2.7	173.5	-72.4	-172	156.3	0	0	111.8	K55 D277	K55-E275 WeakPolarHBondContact CE-OE1 3.4Å; K55-E275 WeakPolarHBondContact CE-OE2 3.4Å; K55-E275 IonicContact NZ-OE1 2.83Å; K55-E275 PolarHBondContact NZ-OE1 3.33Å; K55-E275 IonicContact NZ-OE2 2.72Å; K55-E275 PolarHBondContact NZ-OE2 2.87Å; E275-D277 PolarHBondContact O-N 3.09Å
276	S	49.6	Very low	70.6	Confident	88 Å²	88	95.8 Å²	95.8	62%	0.615	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-69.4	-11.5	-177.5	58.8	0	0	0	0	115.1	D274	D274-S276 PolarHBondContact O-N 2.92Å
277	D	48.8	Very low	68.8	Low	120 Å²	120	97.7 Å²	97.7	64%	0.642	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-100.9	9.8	-171.6	-64.5	-10.4	0	0	0	113.6	E275	E275-D277 PolarHBondContact O-N 3.09Å
278	I	51.1	Low	66.7	Low	108 Å²	108	104.7 Å²	104.7	55%	0.554	53%	0.531	S	S	*	.	S	Bend	trans	-116.1	-7.9	-171.1	-57	177.1	0	0	0	113.5
279	D	41.5	Very low	64.3	Low	151 Å²	151	107.8 Å²	107.8	81%	0.807	55%	0.553	S	S	*	*	S	Bend	trans	-93.9	7	179.8	-78.9	-18	0	0	0	114.6
280	D	38.7	Very low	61.6	Low	157 Å²	157	106.6 Å²	106.6	84%	0.84	55%	0.554	S	S	*	*			trans	-118.7	67	177.4	-78.4	-27.6	0	0	0	112.1
281	E	34.1	Very low	58.3	Low	269 Å²	269	115 Å²	115	100%	1.257	60%	0.598	S	S	*	*			trans	-159.8	0	155.9	-111.9	-180	-162.1	0	0	111.5

Retrieved 281 of 281 residues in 264.8 ms (Link to these results)

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