A0A087Y977_POEFO Loading...

phospholipase A2

AlphaFold DB , UniProt , Accession A0A087Y977, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 671 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	L	38.8	Very low	29.3	Very low	230 Å²	230	178.6 Å²	178.6	100%	1.204	84%	0.835	S	S	*	*				0	162.6	0	-73.1	87.8	0	0	0	109.8
2	R	27.1	Very low	28.8	Very low	242 Å²	242	175.1 Å²	175.1	91%	0.913	82%	0.818	S	S	*	*			trans	-77.5	169.8	169.1	-84.4	-173.2	175.2	-176.2	0.9	110.5
3	P	46.8	Very low	28.4	Very low	106 Å²	106	171.7 Å²	171.7	69%	0.688	82%	0.823	S	S	*	*				-138.2	-141.5	-75.4	35.7	-11.1	0	0	0	111
4	R	30.4	Very low	28	Very low	219 Å²	219	168.4 Å²	168.4	83%	0.826	81%	0.812	S	S	*	*			trans	83.7	95.7	163.9	-73	174.6	178.7	178.8	-1.2	117.2
5	T	27.7	Very low	27.9	Very low	123 Å²	123	167.5 Å²	167.5	76%	0.755	81%	0.806	S	S	*	*				78.4	133	88.2	54.2	0	0	0	0	114.1
6	R	26.5	Very low	27.6	Very low	248 Å²	248	163.4 Å²	163.4	94%	0.936	80%	0.801	S	S	*	*				-137	155.5	51.5	-148.3	174.4	-165.4	163.1	3.3	114.5
7	F	22.7	Very low	27.9	Very low	171 Å²	171	165 Å²	165	75%	0.75	81%	0.806	S	S	*	*			trans	-93.8	148.9	-177.7	-98.4	-132.4	0	0	0	113.1
8	H	25	Very low	27.8	Very low	162 Å²	162	166.8 Å²	166.8	75%	0.75	81%	0.808	S	S	*	*			trans	49.8	165.9	142.9	-68.6	-119	0	0	0	118.6
9	I	23.9	Very low	27.9	Very low	145 Å²	145	166.9 Å²	166.9	74%	0.744	81%	0.807	S	S	*	*			cis	-137.5	142.6	14.2	-55.3	159	0	0	0	109
10	S	26	Very low	27.7	Very low	128 Å²	128	166.9 Å²	166.9	90%	0.895	81%	0.81	S	S	*	*			trans	-151.5	135.5	138.4	-153.6	0	0	0	0	108.4
11	R	27.2	Very low	27.4	Very low	191 Å²	191	163.9 Å²	163.9	72%	0.721	80%	0.802	S	S	*	*			trans	-125.1	138.6	-162.3	-132.3	-174	164.1	175.2	-12.1	111.9
12	E	23.7	Very low	27.3	Very low	136 Å²	136	162.3 Å²	162.3	64%	0.636	79%	0.788	S	S	*	*			trans	38.7	107.9	143.5	-68.8	153.6	-168.5	0	0	119.7
13	C	23	Very low	27.2	Very low	131 Å²	131	159 Å²	159	89%	0.885	78%	0.783	S	S	*	*				-168	119.2	129.4	-104.3	0	0	0	0	105.4
14	D	23.3	Very low	26.2	Very low	125 Å²	125	159.8 Å²	159.8	67%	0.668	79%	0.786	S	S	*	*			cis	57.7	126	21.9	-110.2	28	0	0	0	113.6
15	Q	25.8	Very low	26.3	Very low	155 Å²	155	155.6 Å²	155.6	72%	0.724	79%	0.787	S	S	*	*			cis	-155.9	161.4	20.2	-147.9	171.3	70.6	0	0	113.6
16	S	23.9	Very low	26.6	Very low	103 Å²	103	152.3 Å²	152.3	72%	0.72	78%	0.778	S	S	*	*			trans	51.8	112.6	153.4	-68.2	0	0	0	0	122.1
17	H	32	Very low	27.8	Very low	190 Å²	190	143.7 Å²	143.7	88%	0.88	75%	0.754	S	S	*	*			trans	-58	138.4	144	-94.3	-125.8	0	0	0	111.4
18	K	26.8	Very low	29.7	Very low	197 Å²	197	137 Å²	137	86%	0.857	73%	0.734	S	S	*	*			trans	-160.6	135.7	136.2	-114.9	164.3	-174	175.7	0	113.2
19	H	29.1	Very low	32.1	Very low	169 Å²	169	129.9 Å²	129.9	78%	0.782	70%	0.702	S	S	*	*			trans	-5.4	130.3	171.2	-69.8	-104.7	0	0	0	119.5
20	L	23.4	Very low	34.6	Very low	166 Å²	166	123.5 Å²	123.5	87%	0.869	67%	0.67	S	S	*	*				-127.8	157.7	118.7	-143.7	73.3	0	0	0	110.8
21	T	23	Very low	37.1	Very low	104 Å²	104	118.2 Å²	118.2	64%	0.638	63%	0.632	S	S	*	*			trans	-68.9	161.2	-164.6	41.5	0	0	0	0	115.4	H23	T21-H23 PolarHBondContact O-N 3.17Å
22	Q	36.8	Very low	39.6	Very low	197 Å²	197	109.8 Å²	109.8	92%	0.921	60%	0.602	S	S	*	*			trans	-43.7	123.2	163.3	-64	164	-24.3	0	0	111.2
23	H	24.2	Very low	42.2	Very low	172 Å²	172	107 Å²	107	80%	0.796	59%	0.585	S	S	*	*			trans	-103.3	140	151.2	-94.9	-82.3	0	0	0	108.8	T21	T21-H23 PolarHBondContact O-N 3.17Å
24	T	26.6	Very low	44.9	Very low	124 Å²	124	103.5 Å²	103.5	76%	0.761	56%	0.562	S	S	*	*			trans	-55.2	148.1	176	38.9	0	0	0	0	111.3	G26	T24-G26 PolarHBondContact O-N 3.21Å
25	P	30.9	Very low	47.2	Very low	130 Å²	130	100 Å²	100	84%	0.844	55%	0.548	S	S	*	.			trans	-64.6	103.2	176.6	26.7	-33.3	0	0	0	109.6
26	G	35.1	Very low	49.2	Very low	54 Å²	54	98.7 Å²	98.7	56%	0.557	55%	0.553	S	S	*	*			trans	-56.2	163.4	166	0	0	0	0	0	111.2	T24 G28	T24-G26 PolarHBondContact O-N 3.21Å; G26-G28 PolarHBondContact O-N 2.96Å
27	P	51.4	Low	50.8	Low	67 Å²	67	95.1 Å²	95.1	44%	0.435	53%	0.529	S	S	.	.			trans	-52.7	134.4	-170.2	21.1	-33.4	0	0	0	111.8	V29 L106	P27-V29 HydrophobicContact CB-CG2 4.36Å; P27-V29 PolarHBondContact O-N 3.2Å; P27-L106 HydrophobicContact CB-CD1 3.49Å; P27-L106 VanDerWaalsContact CB-CD1 3.49Å
28	G	63.1	Low	52.1	Low	32 Å²	32	93.7 Å²	93.7	33%	0.33	53%	0.528	S	S	.	.			trans	-69	37.6	-171.6	0	0	0	0	0	116.4	G26 S47 H48	G26-G28 PolarHBondContact O-N 2.96Å; G28-S47 WeakPolarHBondContact O-CA 3.32Å; G28-H48 PolarHBondContact O-CE1 3.21Å; G28-H48 PolarHBondContact O-N 2.78Å; G28-H48 PolarHBondContact O-ND1 3.17Å
29	V	74.3	Confident	54.2	Low	12 Å²	12	86.6 Å²	86.6	7%	0.073	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	147	175.4	178.7	0	0	0	0	110.1	P27 F45 L46 W92 I102 L106	P27-V29 HydrophobicContact CB-CG2 4.36Å; P27-V29 PolarHBondContact O-N 3.2Å; V29-F45 HydrophobicContact CB-CD2 4.49Å; V29-F45 HydrophobicContact CG1-CB 3.91Å; V29-F45 HydrophobicContact CG1-CD2 3.77Å; V29-F45 HydrophobicContact CG1-CG 3.99Å; V29-F45 HydrophobicContact CG2-CD2 4.13Å; V29-F45 HydrophobicContact CG2-CE2 4.21Å; V29-L46 CarbonylContact C-O 3.52Å; V29-L46 VanDerWaalsContact CA-O 3.28Å; V29-L46 WeakPolarHBondContact CA-O 3.22Å; V29-W92 WeakPolarHBondContact O-CH2 3.4Å; V29-I102 HydrophobicContact CG2-CG2 4.02Å; V29-L106 HydrophobicContact CG2-CD1 3.64Å
30	S	77.4	Confident	56.4	Low	10 Å²	10	81 Å²	81	7%	0.07	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	163.2	173.1	56.5	0	0	0	0	110.7	L32 L46 H48	S30-L32 PolarHBondContact O-N 3.27Å; S30-L46 PolarHBondContact N-O 3.28Å; S30-L46 PolarHBondContact O-N 2.77Å; S30-H48 WeakPolarHBondContact CB-NE2 3.46Å; S30-H48 PolarHBondContact OG-NE2 3.12Å
31	C	77.8	Confident	59.1	Low	17 Å²	17	74.7 Å²	74.7	12%	0.115	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	57.3	38.7	173.4	171.7	0	0	0	0	111.8	L46 Y82 C86	C31-L46 HydrophobicContact CB-CD1 4.01Å; C31-L46 HydrophobicContact CB-CG 4.25Å; C31-Y82 HydrophobicContact CB-CE1 4.31Å; C31-Y82 VanDerWaalsContact O-CE1 3.31Å; C31-Y82 WeakPolarHBondContact O-CE1 3.08Å; C31-Y82 PolarHBondContact O-OH 2.05Å; C31-Y82 WeakPolarHBondContact SG-CD1 3.25Å; C31-Y82 WeakPolarHBondContact SG-CE1 3.31Å; C31-C86 VanDerWaalsContact CA-SG 3.52Å; C31-C86 HydrophobicContact CB-CB 3.61Å; C31-C86 WeakPolarHBondContact CB-SG 3.08Å; C31-C86 WeakPolarHBondContact SG-CB 3.2Å; C31-C86 CovalentContact SG-SG 2.02Å; C31-C86 PolarHBondContact SG-SG 2.92Å
32	L	80.9	Confident	61.8	Low	14 Å²	14	71.9 Å²	71.9	7%	0.073	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	133	173.4	175.2	64.1	0	0	0	109.9	S30 L43 T44 F45 L96 V97 I102	S30-L32 PolarHBondContact O-N 3.27Å; L32-L43 HydrophobicContact CD1-CB 4.09Å; L32-T44 CarbonylContact C-O 3.45Å; L32-T44 VanDerWaalsContact CA-O 3.3Å; L32-T44 WeakPolarHBondContact CA-O 3.45Å; L32-F45 HydrophobicContact CB-CB 4.07Å; L32-F45 HydrophobicContact CD1-CB 3.89Å; L32-F45 HydrophobicContact CD1-CD1 3.95Å; L32-F45 HydrophobicContact CD1-CG 4.33Å; L32-L96 HydrophobicContact CD2-CB 3.86Å; L32-V97 HydrophobicContact CD2-CG2 3.52Å; L32-I102 HydrophobicContact CD1-CD1 3.89Å; L32-I102 HydrophobicContact CD2-CD1 3.71Å; L32-I102 HydrophobicContact CG-CD1 4.49Å
33	R	77.7	Confident	63.9	Low	77 Å²	77	62.5 Å²	62.5	29%	0.291	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	146.9	170.4	-59.4	-172.1	68.2	144.8	5.3	110	L43 T44 F85	R33-L43 WeakPolarHBondContact O-CA 3.49Å; R33-T44 PolarHBondContact N-O 3.08Å; R33-T44 PolarHBondContact O-N 2.81Å; R33-F85 VanDerWaalsContact NH1-CE1 3.29Å
34	S	78.9	Confident	66.8	Low	58 Å²	58	55.7 Å²	55.7	41%	0.406	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149.8	170.9	58.6	0	0	0	0	112.8	L42 L43 L96	S34-L42 CarbonylContact C-O 3.6Å; S34-L42 VanDerWaalsContact CA-O 3.29Å; S34-L42 WeakPolarHBondContact CA-O 3.35Å; S34-L43 VanDerWaalsContact CB-CD2 3.47Å; S34-L96 WeakPolarHBondContact OG-CD1 3.39Å
35	S	71.9	Confident	69.6	Low	53 Å²	53	49.8 Å²	49.8	37%	0.371	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	145.3	160.8	59.8	0	0	0	0	111.7	L42	S35-L42 PolarHBondContact N-O 3.29Å; S35-L42 WeakPolarHBondContact O-CB 3.39Å; S35-L42 PolarHBondContact O-N 2.76Å
36	P	69.1	Low	72.1	Confident	126 Å²	126	43.6 Å²	43.6	82%	0.818	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	143.5	172.6	29.9	-34.5	0	0	0	110.9
37	A	56.9	Low	74.5	Confident	28 Å²	28	41.5 Å²	41.5	23%	0.231	26%	0.261	C	S	.	.			trans	-151.9	79.9	-177.2	0	0	0	0	0	112.2	H40 L42	A37-H40 PolarHBondContact N-O 3.12Å; A37-H40 WeakPolarHBondContact O-CB 3.4Å; A37-L42 HydrophobicContact CB-CB 4.25Å
38	D	59.9	Low	75.7	Confident	160 Å²	160	41.5 Å²	41.5	86%	0.856	26%	0.256	S	S	*	.	S	Bend	trans	53.4	70	171.6	-53.9	-29.6	0	0	0	114.5	H40	D38-H40 VanDerWaalsContact C-N 3.29Å; D38-H40 PolarHBondContact O-N 2.85Å; D38-H40 PolarHBondContact O-ND1 2.86Å
39	G	69	Low	75.8	Confident	48 Å²	48	41.3 Å²	41.3	50%	0.495	25%	0.254	S	S	.	.	S	Bend	trans	69	26	-179	0	0	0	0	0	114.1
40	H	76.7	Confident	74.9	Confident	52 Å²	52	46 Å²	46	24%	0.241	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	155.3	-179.9	-58.8	74.8	0	0	0	109.4	A37 D38 K60 W61	A37-H40 PolarHBondContact N-O 3.12Å; A37-H40 WeakPolarHBondContact O-CB 3.4Å; D38-H40 VanDerWaalsContact C-N 3.29Å; D38-H40 PolarHBondContact O-N 2.85Å; D38-H40 PolarHBondContact O-ND1 2.86Å; H40-K60 HydrophobicContact CB-CD 4.34Å; H40-K60 VanDerWaalsContact CB-CE 3.41Å; H40-K60 HydrophobicContact CB-CG 4.05Å; H40-K60 VanDerWaalsContact CD2-CE 3.48Å; H40-K60 WeakPolarHBondContact CD2-CE 3.47Å; H40-K60 PolarHBondContact CD2-NZ 3.33Å; H40-K60 VanDerWaalsContact CD2-NZ 3.34Å; H40-K60 PolarHBondContact CE1-NZ 3.12Å; H40-K60 PolarHBondContact ND1-NZ 3.01Å; H40-K60 PolarHBondContact NE2-NZ 2.96Å; H40-W61 CarbonylContact C-O 3.57Å; H40-W61 WeakPolarHBondContact CA-O 2.99Å; H40-W61 WeakPolarHBondContact CB-O 3.47Å
41	T	78.8	Confident	74.1	Confident	33 Å²	33	53.1 Å²	53.1	20%	0.202	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.4	167.5	-58.2	0	0	0	0	110.2	L43 W61 F100	T41-L43 HydrophobicContact CG2-CD2 3.73Å; T41-L43 HydrophobicContact CG2-CG 4.19Å; T41-W61 PolarHBondContact N-O 2.72Å; T41-W61 PolarHBondContact O-N 3.34Å; T41-F100 HydrophobicContact CG2-CE1 4.48Å; T41-F100 HydrophobicContact CG2-CE2 4.23Å; T41-F100 HydrophobicContact CG2-CZ 3.76Å
42	L	80.2	Confident	73.5	Confident	45 Å²	45	54.6 Å²	54.6	24%	0.236	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	131.1	168.4	-166.6	77.1	0	0	0	108.9	S34 S35 A37 L58 T59 K60	S34-L42 CarbonylContact C-O 3.6Å; S34-L42 VanDerWaalsContact CA-O 3.29Å; S34-L42 WeakPolarHBondContact CA-O 3.35Å; S35-L42 PolarHBondContact N-O 3.29Å; S35-L42 WeakPolarHBondContact O-CB 3.39Å; S35-L42 PolarHBondContact O-N 2.76Å; A37-L42 HydrophobicContact CB-CB 4.25Å; L42-L58 HydrophobicContact CD1-CD1 3.85Å; L42-L58 HydrophobicContact CD2-CD1 3.98Å; L42-L58 HydrophobicContact CG-CD1 4.03Å; L42-T59 CarbonylContact C-O 3.57Å; L42-T59 WeakPolarHBondContact CA-O 3.49Å; L42-T59 WeakPolarHBondContact CD1-O 3.5Å; L42-K60 HydrophobicContact CD1-CB 4.25Å
43	L	81.9	Confident	72.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.1	173.9	-56.2	177.8	0	0	0	110.3	L32 R33 S34 T41 T59 F100 I102	L32-L43 HydrophobicContact CD1-CB 4.09Å; R33-L43 WeakPolarHBondContact O-CA 3.49Å; S34-L43 VanDerWaalsContact CB-CD2 3.47Å; T41-L43 HydrophobicContact CG2-CD2 3.73Å; T41-L43 HydrophobicContact CG2-CG 4.19Å; L43-T59 WeakPolarHBondContact CB-OG1 3.46Å; L43-T59 PolarHBondContact N-O 3.45Å; L43-T59 PolarHBondContact O-N 3.24Å; L43-T59 PolarHBondContact O-OG1 2.7Å; L43-F100 HydrophobicContact CD1-CB 3.71Å; L43-F100 HydrophobicContact CD1-CD1 4.08Å; L43-F100 HydrophobicContact CD1-CD2 3.6Å; L43-F100 HydrophobicContact CD1-CE2 4.18Å; L43-F100 HydrophobicContact CD1-CG 3.54Å; L43-F100 HydrophobicContact CD2-CD2 4.44Å; L43-F100 HydrophobicContact CD2-CE2 4.35Å; L43-I102 HydrophobicContact CD1-CD1 4.17Å; L43-I102 HydrophobicContact CD1-CG1 4.45Å
44	T	84.8	Confident	72.6	Confident	30 Å²	30	57.9 Å²	57.9	18%	0.184	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130	175.2	47.9	0	0	0	0	110.8	L32 R33 Y57 L58 Y82	L32-T44 CarbonylContact C-O 3.45Å; L32-T44 VanDerWaalsContact CA-O 3.3Å; L32-T44 WeakPolarHBondContact CA-O 3.45Å; R33-T44 PolarHBondContact N-O 3.08Å; R33-T44 PolarHBondContact O-N 2.81Å; T44-Y57 WeakPolarHBondContact CA-O 2.82Å; T44-L58 HydrophobicContact CG2-CD1 3.43Å; T44-L58 VanDerWaalsContact CG2-CD1 3.43Å; T44-Y82 WeakPolarHBondContact CB-OH 3.24Å; T44-Y82 PolarHBondContact O-OH 2.77Å; T44-Y82 PolarHBondContact OG1-OH 2.63Å
45	F	85.4	Confident	72.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	154.1	178.9	60	-90.6	0	0	0	112.7	V29 L32 Y57 T59 I102 L105 L106	V29-F45 HydrophobicContact CB-CD2 4.49Å; V29-F45 HydrophobicContact CG1-CB 3.91Å; V29-F45 HydrophobicContact CG1-CD2 3.77Å; V29-F45 HydrophobicContact CG1-CG 3.99Å; V29-F45 HydrophobicContact CG2-CD2 4.13Å; V29-F45 HydrophobicContact CG2-CE2 4.21Å; L32-F45 HydrophobicContact CB-CB 4.07Å; L32-F45 HydrophobicContact CD1-CB 3.89Å; L32-F45 HydrophobicContact CD1-CD1 3.95Å; L32-F45 HydrophobicContact CD1-CG 4.33Å; F45-Y57 HydrophobicContact CD2-CD2 4.31Å; F45-Y57 HydrophobicContact CD2-CG 4.16Å; F45-Y57 HydrophobicContact CE1-CG 4.39Å; F45-Y57 VanDerWaalsContact CE2-CB 3.47Å; F45-Y57 AromaticContact CE2-CD1 3.87Å; F45-Y57 HydrophobicContact CE2-CD1 3.87Å; F45-Y57 AromaticContact CE2-CD2 3.79Å; F45-Y57 HydrophobicContact CE2-CD2 3.79Å; F45-Y57 AromaticContact CE2-CG 3.43Å; F45-Y57 HydrophobicContact CE2-CG 3.43Å; F45-Y57 VanDerWaalsContact CE2-CG 3.43Å; F45-Y57 AromaticContact CZ-CD1 3.66Å; F45-Y57 HydrophobicContact CZ-CD1 3.66Å; F45-Y57 HydrophobicContact CZ-CD2 4.38Å; F45-Y57 AromaticContact CZ-CG 3.56Å; F45-Y57 HydrophobicContact CZ-CG 3.56Å; F45-Y57 PolarHBondContact N-O 2.86Å; F45-Y57 VanDerWaalsContact N-O 3.1Å; F45-Y57 PolarHBondContact O-N 3.48Å; F45-T59 HydrophobicContact CE1-CG2 4.11Å; F45-I102 HydrophobicContact CD1-CD1 4.49Å; F45-I102 HydrophobicContact CD1-CG2 4.3Å; F45-I102 HydrophobicContact CD2-CG2 4.46Å; F45-I102 HydrophobicContact CE1-CG1 4.48Å; F45-I102 HydrophobicContact CE1-CG2 3.73Å; F45-I102 HydrophobicContact CE2-CG2 3.91Å; F45-I102 HydrophobicContact CZ-CG2 3.51Å; F45-L105 HydrophobicContact CE1-CD1 4.27Å; F45-L105 HydrophobicContact CZ-CD1 4.12Å; F45-L106 HydrophobicContact CE2-CD2 4.3Å
46	L	83.4	Confident	73.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	136.8	169.1	-64.3	174	0	0	0	109.8	V29 S30 C31 F55 L56 A79 Y82 R83	V29-L46 CarbonylContact C-O 3.52Å; V29-L46 VanDerWaalsContact CA-O 3.28Å; V29-L46 WeakPolarHBondContact CA-O 3.22Å; S30-L46 PolarHBondContact N-O 3.28Å; S30-L46 PolarHBondContact O-N 2.77Å; C31-L46 HydrophobicContact CB-CD1 4.01Å; C31-L46 HydrophobicContact CB-CG 4.25Å; L46-F55 CarbonylContact C-O 3.56Å; L46-F55 WeakPolarHBondContact CA-O 3.4Å; L46-L56 HydrophobicContact CD2-CB 3.99Å; L46-L56 HydrophobicContact CD2-CD1 4.14Å; L46-A79 HydrophobicContact CD2-CB 4.02Å; L46-Y82 HydrophobicContact CD1-CD1 4.27Å; L46-Y82 HydrophobicContact CD2-CD1 3.88Å; L46-Y82 HydrophobicContact CG-CD1 3.79Å; L46-Y82 HydrophobicContact CG-CE1 4.21Å; L46-R83 HydrophobicContact CD1-CB 3.67Å; L46-R83 HydrophobicContact CD1-CG 3.97Å
47	S	84.4	Confident	74.2	Confident	9 Å²	9	51.3 Å²	51.3	6%	0.063	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.4	167.6	-169.5	0	0	0	0	111.2	G28 R54 F55 L106	G28-S47 WeakPolarHBondContact O-CA 3.32Å; S47-R54 WeakPolarHBondContact O-CA 3.29Å; S47-F55 PolarHBondContact N-O 3.42Å; S47-F55 PolarHBondContact O-N 2.87Å; S47-L106 WeakPolarHBondContact OG-CD2 3.19Å
48	H	77.4	Confident	75.6	Confident	68 Å²	68	52.4 Å²	52.4	32%	0.315	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.6	176.2	-61.6	81.8	0	0	0	109.9	G28 S30 R54	G28-H48 PolarHBondContact O-CE1 3.21Å; G28-H48 PolarHBondContact O-N 2.78Å; G28-H48 PolarHBondContact O-ND1 3.17Å; S30-H48 WeakPolarHBondContact CB-NE2 3.46Å; S30-H48 PolarHBondContact OG-NE2 3.12Å; H48-R54 PolarHBondContact CD2-NE 2.9Å
49	G	64.6	Low	76.7	Confident	28 Å²	28	44.8 Å²	44.8	29%	0.289	28%	0.276	S	S	.	.			trans	-77.3	160.7	167.1	0	0	0	0	0	111.8	N51 G52 A53	G49-N51 PolarHBondContact O-N 2.96Å; G49-G52 PolarHBondContact O-N 3.16Å; G49-A53 PolarHBondContact N-O 3.13Å
50	A	56.6	Low	77.5	Confident	110 Å²	110	45.8 Å²	45.8	91%	0.909	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-30.4	-176.6	0	0	0	0	0	114.4	G52	A50-G52 PolarHBondContact O-N 2.67Å
51	N	60	Low	77.8	Confident	159 Å²	159	43.9 Å²	43.9	85%	0.85	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	16.8	-179.7	-56.1	19.8	0	0	0	113.1	G49 A53	G49-N51 PolarHBondContact O-N 2.96Å; N51-A53 PolarHBondContact O-N 2.78Å; N51-A53 VanDerWaalsContact O-N 3.13Å
52	G	64.1	Low	77.9	Confident	49 Å²	49	43.6 Å²	43.6	51%	0.505	26%	0.257	S	S	.	.	S	Bend	trans	72.6	-3.6	-175.8	0	0	0	0	0	115.3	G49 A50	G49-G52 PolarHBondContact O-N 3.16Å; A50-G52 PolarHBondContact O-N 2.67Å
53	A	62.6	Low	77.7	Confident	45 Å²	45	46.9 Å²	46.9	37%	0.372	28%	0.275	S	S	.	.			trans	-64.8	134.9	176.5	0	0	0	0	0	111.2	G49 N51 F55	G49-A53 PolarHBondContact N-O 3.13Å; N51-A53 PolarHBondContact O-N 2.78Å; N51-A53 VanDerWaalsContact O-N 3.13Å; A53-F55 HydrophobicContact CB-CE2 3.86Å; A53-F55 HydrophobicContact CB-CZ 4.15Å
54	R	78.8	Confident	77.6	Confident	115 Å²	115	50.8 Å²	50.8	43%	0.434	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.9	179.4	-64	-175.3	-178.8	99.1	5	110.9	S47 H48 A79	S47-R54 WeakPolarHBondContact O-CA 3.29Å; H48-R54 PolarHBondContact CD2-NE 2.9Å; R54-A79 HydrophobicContact CB-CB 4.21Å
55	F	82	Confident	77.2	Confident	56 Å²	56	53.2 Å²	53.2	25%	0.246	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.4	179.8	-59.5	-93.1	0	0	0	109.2	L46 S47 A53 Y57 I72 L114	L46-F55 CarbonylContact C-O 3.56Å; L46-F55 WeakPolarHBondContact CA-O 3.4Å; S47-F55 PolarHBondContact N-O 3.42Å; S47-F55 PolarHBondContact O-N 2.87Å; A53-F55 HydrophobicContact CB-CE2 3.86Å; A53-F55 HydrophobicContact CB-CZ 4.15Å; F55-Y57 HydrophobicContact CB-CD2 4.33Å; F55-Y57 HydrophobicContact CB-CE2 3.91Å; F55-I72 HydrophobicContact CB-CG2 3.78Å; F55-I72 HydrophobicContact CD1-CG2 4.07Å; F55-I72 HydrophobicContact CG-CG2 4.29Å; F55-L114 HydrophobicContact CD1-CD1 4.14Å; F55-L114 HydrophobicContact CE1-CD1 4.19Å
56	L	85.4	Confident	76.9	Confident	19 Å²	19	61.5 Å²	61.5	10%	0.099	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	116.7	173.4	173.3	59.7	0	0	0	109.5	L46 Y73 V78 Y82	L46-L56 HydrophobicContact CD2-CB 3.99Å; L46-L56 HydrophobicContact CD2-CD1 4.14Å; L56-Y73 PolarHBondContact N-O 2.91Å; L56-Y73 PolarHBondContact O-N 3.4Å; L56-V78 HydrophobicContact CD2-CG1 3.77Å; L56-Y82 HydrophobicContact CD1-CD1 3.45Å; L56-Y82 VanDerWaalsContact CD1-CD1 3.45Å; L56-Y82 HydrophobicContact CD1-CD2 4.49Å; L56-Y82 HydrophobicContact CD1-CE1 3.61Å; L56-Y82 HydrophobicContact CD1-CG 3.94Å; L56-Y82 HydrophobicContact CD2-CD1 4.44Å; L56-Y82 HydrophobicContact CD2-CG 4.14Å
57	Y	84.9	Confident	76.7	Confident	24 Å²	24	63.9 Å²	63.9	9%	0.094	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.3	173.4	-75.8	-114	0	0	0	109.4	T44 F45 F55 I72 L105 L106	T44-Y57 WeakPolarHBondContact CA-O 2.82Å; F45-Y57 HydrophobicContact CD2-CD2 4.31Å; F45-Y57 HydrophobicContact CD2-CG 4.16Å; F45-Y57 HydrophobicContact CE1-CG 4.39Å; F45-Y57 VanDerWaalsContact CE2-CB 3.47Å; F45-Y57 AromaticContact CE2-CD1 3.87Å; F45-Y57 HydrophobicContact CE2-CD1 3.87Å; F45-Y57 AromaticContact CE2-CD2 3.79Å; F45-Y57 HydrophobicContact CE2-CD2 3.79Å; F45-Y57 AromaticContact CE2-CG 3.43Å; F45-Y57 HydrophobicContact CE2-CG 3.43Å; F45-Y57 VanDerWaalsContact CE2-CG 3.43Å; F45-Y57 AromaticContact CZ-CD1 3.66Å; F45-Y57 HydrophobicContact CZ-CD1 3.66Å; F45-Y57 HydrophobicContact CZ-CD2 4.38Å; F45-Y57 AromaticContact CZ-CG 3.56Å; F45-Y57 HydrophobicContact CZ-CG 3.56Å; F45-Y57 PolarHBondContact N-O 2.86Å; F45-Y57 VanDerWaalsContact N-O 3.1Å; F45-Y57 PolarHBondContact O-N 3.48Å; F55-Y57 HydrophobicContact CB-CD2 4.33Å; F55-Y57 HydrophobicContact CB-CE2 3.91Å; Y57-I72 HydrophobicContact CD1-CD1 4.31Å; Y57-I72 HydrophobicContact CD1-CG1 3.85Å; Y57-I72 HydrophobicContact CD2-CG2 4.22Å; Y57-I72 HydrophobicContact CE1-CD1 3.54Å; Y57-I72 HydrophobicContact CE1-CG1 3.59Å; Y57-I72 HydrophobicContact CE2-CD1 4.43Å; Y57-I72 HydrophobicContact CE2-CG1 4.34Å; Y57-I72 HydrophobicContact CE2-CG2 3.89Å; Y57-I72 HydrophobicContact CG-CG1 4.34Å; Y57-L105 WeakPolarHBondContact CE1-O 3.11Å; Y57-L106 HydrophobicContact CE1-CD2 3.97Å; Y57-L106 HydrophobicContact CE2-CD2 4.12Å
58	L	86.8	Confident	76.5	Confident	50 Å²	50	66.2 Å²	66.2	26%	0.262	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	111.7	172.6	174.1	66.7	0	0	0	107.3	L42 T44 C70 E71 Y73	L42-L58 HydrophobicContact CD1-CD1 3.85Å; L42-L58 HydrophobicContact CD2-CD1 3.98Å; L42-L58 HydrophobicContact CG-CD1 4.03Å; T44-L58 HydrophobicContact CG2-CD1 3.43Å; T44-L58 VanDerWaalsContact CG2-CD1 3.43Å; L58-C70 WeakPolarHBondContact O-CA 3.27Å; L58-E71 HydrophobicContact CB-CB 4.44Å; L58-E71 PolarHBondContact N-O 3.08Å; L58-E71 PolarHBondContact O-N 3.45Å; L58-Y73 HydrophobicContact CB-CE2 4.3Å; L58-Y73 HydrophobicContact CD2-CE2 4.19Å
59	T	82.6	Confident	76.4	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.2	-171.7	61.1	0	0	0	0	111	L42 L43 F45 W61 L67 G69 C70 L105	L42-T59 CarbonylContact C-O 3.57Å; L42-T59 WeakPolarHBondContact CA-O 3.49Å; L42-T59 WeakPolarHBondContact CD1-O 3.5Å; L43-T59 WeakPolarHBondContact CB-OG1 3.46Å; L43-T59 PolarHBondContact N-O 3.45Å; L43-T59 PolarHBondContact O-N 3.24Å; L43-T59 PolarHBondContact O-OG1 2.7Å; F45-T59 HydrophobicContact CE1-CG2 4.11Å; T59-W61 PolarHBondContact OG1-NE1 2.94Å; T59-W61 VanDerWaalsContact OG1-NE1 3.08Å; T59-L67 HydrophobicContact CG2-CD1 4.39Å; T59-G69 WeakPolarHBondContact CA-O 3.42Å; T59-C70 HydrophobicContact CG2-CB 4.12Å; T59-C70 VanDerWaalsContact CG2-SG 3.59Å; T59-L105 HydrophobicContact CG2-CD1 3.41Å; T59-L105 VanDerWaalsContact CG2-CD1 3.41Å
60	K	85.6	Confident	77.2	Confident	70 Å²	70	63.9 Å²	63.9	30%	0.304	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.2	177.6	-167.2	-173.8	-168.7	-147.5	0	108.8	H40 L42 A68 G69	H40-K60 HydrophobicContact CB-CD 4.34Å; H40-K60 VanDerWaalsContact CB-CE 3.41Å; H40-K60 HydrophobicContact CB-CG 4.05Å; H40-K60 VanDerWaalsContact CD2-CE 3.48Å; H40-K60 WeakPolarHBondContact CD2-CE 3.47Å; H40-K60 PolarHBondContact CD2-NZ 3.33Å; H40-K60 VanDerWaalsContact CD2-NZ 3.34Å; H40-K60 PolarHBondContact CE1-NZ 3.12Å; H40-K60 PolarHBondContact ND1-NZ 3.01Å; H40-K60 PolarHBondContact NE2-NZ 2.96Å; L42-K60 HydrophobicContact CD1-CB 4.25Å; K60-A68 HydrophobicContact CG-CB 4.48Å; K60-A68 WeakPolarHBondContact O-CA 3.28Å; K60-A68 PolarHBondContact O-N 3.36Å; K60-G69 PolarHBondContact N-O 3Å; K60-G69 PolarHBondContact O-N 3.31Å
61	W	82.4	Confident	78.5	Confident	11 Å²	11	62.5 Å²	62.5	4%	0.042	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.9	-177.8	-60.2	81.4	0	0	0	109.7	H40 T41 T59 L65 R66 L67 F100 L105	H40-W61 CarbonylContact C-O 3.57Å; H40-W61 WeakPolarHBondContact CA-O 2.99Å; H40-W61 WeakPolarHBondContact CB-O 3.47Å; T41-W61 PolarHBondContact N-O 2.72Å; T41-W61 PolarHBondContact O-N 3.34Å; T59-W61 PolarHBondContact OG1-NE1 2.94Å; T59-W61 VanDerWaalsContact OG1-NE1 3.08Å; W61-L65 VanDerWaalsContact CE3-O 3.26Å; W61-L65 WeakPolarHBondContact CZ3-O 3.24Å; W61-R66 CarbonylContact C-O 3.48Å; W61-R66 WeakPolarHBondContact CA-O 3.34Å; W61-L67 HydrophobicContact CD2-CB 4.49Å; W61-L67 HydrophobicContact CD2-CD1 3.98Å; W61-L67 HydrophobicContact CE3-CB 4.12Å; W61-L67 HydrophobicContact CE3-CD1 4.41Å; W61-L67 HydrophobicContact CH2-CB 4.47Å; W61-L67 HydrophobicContact CH2-CD1 4.34Å; W61-L67 HydrophobicContact CZ2-CD1 3.89Å; W61-L67 HydrophobicContact CZ3-CB 4.11Å; W61-F100 HydrophobicContact CB-CD1 3.91Å; W61-F100 HydrophobicContact CB-CE1 3.71Å; W61-F100 HydrophobicContact CD2-CB 4.5Å; W61-F100 AromaticContact CD2-CD1 3.71Å; W61-F100 HydrophobicContact CD2-CD1 3.71Å; W61-F100 HydrophobicContact CD2-CE1 4.44Å; W61-F100 AromaticContact CE3-CD1 3.98Å; W61-F100 HydrophobicContact CE3-CD1 3.98Å; W61-F100 AromaticContact CG-CD1 3.7Å; W61-F100 HydrophobicContact CG-CD1 3.7Å; W61-F100 AromaticContact CG-CE1 3.99Å; W61-F100 HydrophobicContact CG-CE1 3.99Å; W61-F100 HydrophobicContact CH2-CB 4.49Å; W61-F100 HydrophobicContact CZ2-CB 4.25Å; W61-L105 HydrophobicContact CZ2-CD1 3.77Å; W61-L105 HydrophobicContact CZ2-CD2 4.43Å; W61-L105 HydrophobicContact CZ2-CG 4.28Å
62	S	81.1	Confident	79.5	Confident	27 Å²	27	55.7 Å²	55.7	19%	0.189	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	164.4	170.3	39.5	0	0	0	0	111.1	D64 L65 R66	S62-D64 VanDerWaalsContact CB-OD1 3.27Å; S62-D64 WeakPolarHBondContact CB-OD1 2.99Å; S62-D64 PolarHBondContact O-N 3.41Å; S62-D64 VanDerWaalsContact O-N 3.15Å; S62-D64 PolarHBondContact OG-OD1 3.21Å; S62-L65 WeakPolarHBondContact O-CA 3.41Å; S62-L65 PolarHBondContact O-N 3.45Å; S62-R66 PolarHBondContact N-O 2.83Å; S62-R66 PolarHBondContact OG-O 2.8Å
63	D	77.5	Confident	80.2	Confident	115 Å²	115	56.9 Å²	56.9	62%	0.615	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.5	-176	-61.2	-27.3	0	0	0	113.3	L65	D63-L65 PolarHBondContact O-N 3.13Å
64	D	78.6	Confident	80.9	Confident	82 Å²	82	56.5 Å²	56.5	44%	0.439	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	15.5	169.1	74.1	-22.6	0	0	0	114	S62 R66	S62-D64 VanDerWaalsContact CB-OD1 3.27Å; S62-D64 WeakPolarHBondContact CB-OD1 2.99Å; S62-D64 PolarHBondContact O-N 3.41Å; S62-D64 VanDerWaalsContact O-N 3.15Å; S62-D64 PolarHBondContact OG-OD1 3.21Å; D64-R66 PolarHBondContact O-N 3.32Å; D64-R66 WeakPolarHBondContact OD1-CB 3.46Å; D64-R66 PolarHBondContact OD1-N 2.92Å; D64-R66 WeakPolarHBondContact OD2-CD 3.36Å; D64-R66 WeakPolarHBondContact OD2-CG 3.17Å; D64-R66 IonicContact OD2-CZ 2.9Å; D64-R66 IonicContact OD2-NE 3.42Å; D64-R66 IonicContact OD2-NH1 3.35Å; D64-R66 PolarHBondContact OD2-NH1 3.45Å
65	L	76.1	Confident	80.6	Confident	80 Å²	80	53.4 Å²	53.4	42%	0.419	28%	0.277	S	S	.	.	S	Bend	trans	60.3	20.2	179.5	-51.6	176.2	0	0	0	114.7	W61 S62 D63 K99 F100	W61-L65 VanDerWaalsContact CE3-O 3.26Å; W61-L65 WeakPolarHBondContact CZ3-O 3.24Å; S62-L65 WeakPolarHBondContact O-CA 3.41Å; S62-L65 PolarHBondContact O-N 3.45Å; D63-L65 PolarHBondContact O-N 3.13Å; L65-K99 HydrophobicContact CD2-CG 4.29Å; L65-F100 HydrophobicContact CD2-CD1 3.86Å; L65-F100 HydrophobicContact CD2-CE1 3.44Å; L65-F100 VanDerWaalsContact CD2-CE1 3.44Å; L65-F100 HydrophobicContact CD2-CZ 3.92Å
66	R	79	Confident	80.1	Confident	175 Å²	175	55 Å²	55	66%	0.66	29%	0.293	S	S	*	.			trans	-87.4	145.9	171.5	-64.2	-174.6	175.5	129	-8.7	111.7	W61 S62 D64 A68	W61-R66 CarbonylContact C-O 3.48Å; W61-R66 WeakPolarHBondContact CA-O 3.34Å; S62-R66 PolarHBondContact N-O 2.83Å; S62-R66 PolarHBondContact OG-O 2.8Å; D64-R66 PolarHBondContact O-N 3.32Å; D64-R66 WeakPolarHBondContact OD1-CB 3.46Å; D64-R66 PolarHBondContact OD1-N 2.92Å; D64-R66 WeakPolarHBondContact OD2-CD 3.36Å; D64-R66 WeakPolarHBondContact OD2-CG 3.17Å; D64-R66 IonicContact OD2-CZ 2.9Å; D64-R66 IonicContact OD2-NE 3.42Å; D64-R66 IonicContact OD2-NH1 3.35Å; D64-R66 PolarHBondContact OD2-NH1 3.45Å; R66-A68 PolarHBondContact O-N 2.03Å
67	L	79.9	Confident	79.4	Confident	49 Å²	49	59.7 Å²	59.7	26%	0.257	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	111.3	176.6	-174.8	80.2	0	0	0	110.4	T59 W61 G69 C70 L105 P111	T59-L67 HydrophobicContact CG2-CD1 4.39Å; W61-L67 HydrophobicContact CD2-CB 4.49Å; W61-L67 HydrophobicContact CD2-CD1 3.98Å; W61-L67 HydrophobicContact CE3-CB 4.12Å; W61-L67 HydrophobicContact CE3-CD1 4.41Å; W61-L67 HydrophobicContact CH2-CB 4.47Å; W61-L67 HydrophobicContact CH2-CD1 4.34Å; W61-L67 HydrophobicContact CZ2-CD1 3.89Å; W61-L67 HydrophobicContact CZ3-CB 4.11Å; L67-G69 WeakPolarHBondContact CD1-O 3.22Å; L67-C70 HydrophobicContact CD1-CB 4.38Å; L67-C70 HydrophobicContact CD2-CB 4.07Å; L67-L105 HydrophobicContact CD1-CD1 4.37Å; L67-L105 HydrophobicContact CD1-CD2 4.07Å; L67-L105 HydrophobicContact CD2-CD2 3.65Å; L67-L105 HydrophobicContact CG-CD2 4.43Å; L67-P111 HydrophobicContact CD2-CG 3.62Å
68	A	79.6	Confident	78.7	Confident	59 Å²	59	61.7 Å²	61.7	49%	0.488	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-13.1	176.7	0	0	0	0	0	113.4	K60 R66	K60-A68 HydrophobicContact CG-CB 4.48Å; K60-A68 WeakPolarHBondContact O-CA 3.28Å; K60-A68 PolarHBondContact O-N 3.36Å; R66-A68 PolarHBondContact O-N 2.03Å
69	G	76.1	Confident	78.2	Confident	33 Å²	33	59.4 Å²	59.4	34%	0.34	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177	154.6	172	0	0	0	0	0	113.9	T59 K60 L67	T59-G69 WeakPolarHBondContact CA-O 3.42Å; K60-G69 PolarHBondContact N-O 3Å; K60-G69 PolarHBondContact O-N 3.31Å; L67-G69 WeakPolarHBondContact CD1-O 3.22Å
70	C	82.4	Confident	77.6	Confident	13 Å²	13	62.1 Å²	62.1	9%	0.088	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	128.8	179.5	-178.1	0	0	0	0	112.5	L58 T59 L67 C112 A113	L58-C70 WeakPolarHBondContact O-CA 3.27Å; T59-C70 HydrophobicContact CG2-CB 4.12Å; T59-C70 VanDerWaalsContact CG2-SG 3.59Å; L67-C70 HydrophobicContact CD1-CB 4.38Å; L67-C70 HydrophobicContact CD2-CB 4.07Å; C70-C112 HydrophobicContact CB-CB 3.85Å; C70-C112 WeakPolarHBondContact CB-SG 3.38Å; C70-C112 WeakPolarHBondContact SG-CB 3.41Å; C70-C112 CovalentContact SG-SG 2.03Å; C70-C112 PolarHBondContact SG-SG 3.48Å; C70-A113 PolarHBondContact O-N 2.83Å
71	E	82.4	Confident	77	Confident	82 Å²	82	61 Å²	61	38%	0.383	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.8	174.7	-61.9	-177.4	167.3	0	0	110.4	L58 Y73 V115	L58-E71 HydrophobicContact CB-CB 4.44Å; L58-E71 PolarHBondContact N-O 3.08Å; L58-E71 PolarHBondContact O-N 3.45Å; E71-Y73 HydrophobicContact CB-CD2 4.42Å; E71-Y73 HydrophobicContact CB-CE2 3.74Å; E71-Y73 WeakPolarHBondContact OE2-CE2 3.35Å; E71-Y73 PolarHBondContact OE2-OH 2.86Å; E71-V115 HydrophobicContact CB-CG2 4.34Å
72	I	81.8	Confident	76.4	Confident	15 Å²	15	62 Å²	62	8%	0.077	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.1	176.4	-50.2	171.8	0	0	0	109.6	F55 Y57 C112 A113 L114 V115	F55-I72 HydrophobicContact CB-CG2 3.78Å; F55-I72 HydrophobicContact CD1-CG2 4.07Å; F55-I72 HydrophobicContact CG-CG2 4.29Å; Y57-I72 HydrophobicContact CD1-CD1 4.31Å; Y57-I72 HydrophobicContact CD1-CG1 3.85Å; Y57-I72 HydrophobicContact CD2-CG2 4.22Å; Y57-I72 HydrophobicContact CE1-CD1 3.54Å; Y57-I72 HydrophobicContact CE1-CG1 3.59Å; Y57-I72 HydrophobicContact CE2-CD1 4.43Å; Y57-I72 HydrophobicContact CE2-CG1 4.34Å; Y57-I72 HydrophobicContact CE2-CG2 3.89Å; Y57-I72 HydrophobicContact CG-CG1 4.34Å; I72-C112 HydrophobicContact CD1-CB 3.6Å; I72-C112 HydrophobicContact CG1-CB 3.84Å; I72-A113 PolarHBondContact N-O 3.14Å; I72-L114 HydrophobicContact CB-CD1 4.04Å; I72-L114 HydrophobicContact CG2-CD1 3.78Å; I72-V115 PolarHBondContact O-N 3.37Å
73	Y	79.2	Confident	76.2	Confident	75 Å²	75	64.7 Å²	64.7	29%	0.294	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	113.3	177	-69.7	-97	0	0	0	110.3	L56 L58 E71 V115	L56-Y73 PolarHBondContact N-O 2.91Å; L56-Y73 PolarHBondContact O-N 3.4Å; L58-Y73 HydrophobicContact CB-CE2 4.3Å; L58-Y73 HydrophobicContact CD2-CE2 4.19Å; E71-Y73 HydrophobicContact CB-CD2 4.42Å; E71-Y73 HydrophobicContact CB-CE2 3.74Å; E71-Y73 WeakPolarHBondContact OE2-CE2 3.35Å; E71-Y73 PolarHBondContact OE2-OH 2.86Å; Y73-V115 HydrophobicContact CE1-CG1 4.34Å
74	S	76.3	Confident	76	Confident	37 Å²	37	61.4 Å²	61.4	26%	0.259	35%	0.35	S	S	.	.			trans	-95.9	16.7	-178.2	83.9	0	0	0	0	114.2
75	N	73.7	Confident	75.4	Confident	49 Å²	49	62.4 Å²	62.4	26%	0.262	35%	0.351	S	S	.	.			trans	-87.1	126.8	177.9	170.4	-79.1	0	0	0	109.7	D77 V78 A79	N75-D77 PolarHBondContact ND2-OD2 2.88Å; N75-D77 PolarHBondContact O-N 3.23Å; N75-D77 WeakPolarHBondContact OD1-CA 3.21Å; N75-D77 VanDerWaalsContact OD1-CB 3.31Å; N75-D77 WeakPolarHBondContact OD1-CB 3.44Å; N75-D77 PolarHBondContact OD1-N 3.37Å; N75-D77 PolarHBondContact OD1-OD2 3.23Å; N75-V78 HydrophobicContact CB-CB 4.31Å; N75-V78 HydrophobicContact CB-CG2 4.19Å; N75-V78 PolarHBondContact O-N 3.38Å; N75-V78 WeakPolarHBondContact OD1-CG2 3.4Å; N75-V78 PolarHBondContact OD1-N 3.04Å; N75-A79 PolarHBondContact O-N 2.92Å; N75-A79 VanDerWaalsContact O-N 3.12Å
76	P	71.3	Confident	75	Confident	90 Å²	90	59.2 Å²	59.2	58%	0.584	34%	0.335	S	S	*	.	H	α-helix	trans	-69.4	-31.8	-174.7	28.3	-35.3	0	0	0	113	A79 A80	P76-A79 PolarHBondContact O-N 3.09Å; P76-A80 WeakPolarHBondContact O-CB 3.29Å; P76-A80 PolarHBondContact O-N 2.86Å
77	D	69.9	Low	74.2	Confident	117 Å²	117	55.2 Å²	55.2	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-67.6	-40.1	179.7	-38.9	-64.1	0	0	0	111.1	N75 G81	N75-D77 PolarHBondContact ND2-OD2 2.88Å; N75-D77 PolarHBondContact O-N 3.23Å; N75-D77 WeakPolarHBondContact OD1-CA 3.21Å; N75-D77 VanDerWaalsContact OD1-CB 3.31Å; N75-D77 WeakPolarHBondContact OD1-CB 3.44Å; N75-D77 PolarHBondContact OD1-N 3.37Å; N75-D77 PolarHBondContact OD1-OD2 3.23Å; D77-G81 PolarHBondContact O-N 3.13Å
78	V	71.3	Confident	73.2	Confident	66 Å²	66	61.9 Å²	61.9	40%	0.4	35%	0.349	S	S	.	.	H	α-helix	trans	-67	-45.2	174.8	172.9	0	0	0	0	110.6	L56 N75 G81 Y82	L56-V78 HydrophobicContact CD2-CG1 3.77Å; N75-V78 HydrophobicContact CB-CB 4.31Å; N75-V78 HydrophobicContact CB-CG2 4.19Å; N75-V78 PolarHBondContact O-N 3.38Å; N75-V78 WeakPolarHBondContact OD1-CG2 3.4Å; N75-V78 PolarHBondContact OD1-N 3.04Å; V78-G81 PolarHBondContact O-N 3.1Å; V78-Y82 WeakPolarHBondContact O-CB 3.07Å; V78-Y82 PolarHBondContact O-N 2.82Å
79	A	74.6	Confident	72	Confident	2 Å²	2	63.8 Å²	63.8	2%	0.017	35%	0.351	C	S	.	.	H	α-helix	trans	-64.2	-39.6	176.6	0	0	0	0	0	112.2	L46 R54 N75 P76 R83	L46-A79 HydrophobicContact CD2-CB 4.02Å; R54-A79 HydrophobicContact CB-CB 4.21Å; N75-A79 PolarHBondContact O-N 2.92Å; N75-A79 VanDerWaalsContact O-N 3.12Å; P76-A79 PolarHBondContact O-N 3.09Å; A79-R83 WeakPolarHBondContact O-CB 3.27Å; A79-R83 PolarHBondContact O-N 3.08Å
80	A	71.9	Confident	70.6	Confident	58 Å²	58	71 Å²	71	48%	0.479	38%	0.376	S	S	.	.	H	α-helix	trans	-69.7	-42.7	176.4	0	0	0	0	0	112.4	P76 R83 A84	P76-A80 WeakPolarHBondContact O-CB 3.29Å; P76-A80 PolarHBondContact O-N 2.86Å; A80-R83 WeakPolarHBondContact O-CB 3.46Å; A80-R83 PolarHBondContact O-N 3.39Å; A80-A84 PolarHBondContact O-N 2.8Å
81	G	72.6	Confident	68.9	Low	46 Å²	46	74.3 Å²	74.3	47%	0.474	40%	0.396	S	S	.	.	H	α-helix	trans	-63.6	-40.2	176.6	0	0	0	0	0	112.9	D77 V78 F85	D77-G81 PolarHBondContact O-N 3.13Å; V78-G81 PolarHBondContact O-N 3.1Å; G81-F85 PolarHBondContact O-N 2.9Å
82	Y	69.9	Low	67.3	Low	33 Å²	33	77.9 Å²	77.9	13%	0.129	41%	0.406	C	S	.	.	H	α-helix	trans	-70.1	-36	173.5	-176.8	-104.2	0	0	0	112	C31 T44 L46 L56 V78 F85 C86	C31-Y82 HydrophobicContact CB-CE1 4.31Å; C31-Y82 VanDerWaalsContact O-CE1 3.31Å; C31-Y82 WeakPolarHBondContact O-CE1 3.08Å; C31-Y82 PolarHBondContact O-OH 2.05Å; C31-Y82 WeakPolarHBondContact SG-CD1 3.25Å; C31-Y82 WeakPolarHBondContact SG-CE1 3.31Å; T44-Y82 WeakPolarHBondContact CB-OH 3.24Å; T44-Y82 PolarHBondContact O-OH 2.77Å; T44-Y82 PolarHBondContact OG1-OH 2.63Å; L46-Y82 HydrophobicContact CD1-CD1 4.27Å; L46-Y82 HydrophobicContact CD2-CD1 3.88Å; L46-Y82 HydrophobicContact CG-CD1 3.79Å; L46-Y82 HydrophobicContact CG-CE1 4.21Å; L56-Y82 HydrophobicContact CD1-CD1 3.45Å; L56-Y82 VanDerWaalsContact CD1-CD1 3.45Å; L56-Y82 HydrophobicContact CD1-CD2 4.49Å; L56-Y82 HydrophobicContact CD1-CE1 3.61Å; L56-Y82 HydrophobicContact CD1-CG 3.94Å; L56-Y82 HydrophobicContact CD2-CD1 4.44Å; L56-Y82 HydrophobicContact CD2-CG 4.14Å; V78-Y82 WeakPolarHBondContact O-CB 3.07Å; V78-Y82 PolarHBondContact O-N 2.82Å; Y82-F85 HydrophobicContact CD2-CD1 4.39Å; Y82-F85 HydrophobicContact CE2-CD1 4.36Å; Y82-F85 WeakPolarHBondContact O-CB 3.48Å; Y82-F85 PolarHBondContact O-N 3.45Å; Y82-F85 VanDerWaalsContact O-N 3.16Å; Y82-C86 PolarHBondContact O-N 3.48Å; Y82-C86 VanDerWaalsContact O-N 3.15Å
83	R	76.1	Confident	66.1	Low	83 Å²	83	80.3 Å²	80.3	31%	0.313	42%	0.419	S	S	.	.	H	α-helix	trans	-59.5	-52.3	171.9	-164.7	-172.5	172	99	4.3	111.8	L46 A79 A80 F85 C86 D87	L46-R83 HydrophobicContact CD1-CB 3.67Å; L46-R83 HydrophobicContact CD1-CG 3.97Å; A79-R83 WeakPolarHBondContact O-CB 3.27Å; A79-R83 PolarHBondContact O-N 3.08Å; A80-R83 WeakPolarHBondContact O-CB 3.46Å; A80-R83 PolarHBondContact O-N 3.39Å; R83-F85 PolarHBondContact O-N 3.04Å; R83-C86 WeakPolarHBondContact O-CA 3.36Å; R83-C86 WeakPolarHBondContact O-CB 3.37Å; R83-C86 PolarHBondContact O-N 2.57Å; R83-D87 IonicContact NE-OD1 3.81Å; R83-D87 IonicContact NE-OD2 3.88Å; R83-D87 PolarHBondContact O-N 3.36Å
84	A	72.6	Confident	65	Low	45 Å²	45	82.7 Å²	82.7	37%	0.372	43%	0.432	S	S	.	.	H	α-helix	trans	-64.3	-9.8	177.4	0	0	0	0	0	113.9	A80 R88	A80-A84 PolarHBondContact O-N 2.8Å; A84-R88 VanDerWaalsContact O-CZ 3.26Å; A84-R88 PolarHBondContact O-NE 3.28Å; A84-R88 PolarHBondContact O-NH2 2.84Å
85	F	67.4	Low	64.2	Low	104 Å²	104	88.6 Å²	88.6	46%	0.456	46%	0.456	S	S	.	.	H	α-helix	trans	-86.8	-35	168.4	174.8	-108.9	0	0	0	112.3	R33 G81 Y82 R83	R33-F85 VanDerWaalsContact NH1-CE1 3.29Å; G81-F85 PolarHBondContact O-N 2.9Å; Y82-F85 HydrophobicContact CD2-CD1 4.39Å; Y82-F85 HydrophobicContact CE2-CD1 4.36Å; Y82-F85 WeakPolarHBondContact O-CB 3.48Å; Y82-F85 PolarHBondContact O-N 3.45Å; Y82-F85 VanDerWaalsContact O-N 3.16Å; R83-F85 PolarHBondContact O-N 3.04Å
86	C	68.1	Low	63.8	Low	12 Å²	12	87.5 Å²	87.5	8%	0.081	45%	0.45	C	S	.	.	H	α-helix	trans	-74	-36.4	171	-73.2	0	0	0	0	113.8	C31 Y82 R83 R88 N89	C31-C86 VanDerWaalsContact CA-SG 3.52Å; C31-C86 HydrophobicContact CB-CB 3.61Å; C31-C86 WeakPolarHBondContact CB-SG 3.08Å; C31-C86 WeakPolarHBondContact SG-CB 3.2Å; C31-C86 CovalentContact SG-SG 2.02Å; C31-C86 PolarHBondContact SG-SG 2.92Å; Y82-C86 PolarHBondContact O-N 3.48Å; Y82-C86 VanDerWaalsContact O-N 3.15Å; R83-C86 WeakPolarHBondContact O-CA 3.36Å; R83-C86 WeakPolarHBondContact O-CB 3.37Å; R83-C86 PolarHBondContact O-N 2.57Å; C86-R88 PolarHBondContact O-N 2.9Å; C86-N89 CarbonylContact O-C 3.38Å; C86-N89 PolarHBondContact O-N 3.34Å
87	D	62.3	Low	63.3	Low	92 Å²	92	85.2 Å²	85.2	49%	0.492	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	4.8	-178.9	-56.7	-29.4	0	0	0	113.5	R83	R83-D87 IonicContact NE-OD1 3.81Å; R83-D87 IonicContact NE-OD2 3.88Å; R83-D87 PolarHBondContact O-N 3.36Å
88	R	57.6	Low	62.9	Low	189 Å²	189	87.6 Å²	87.6	71%	0.713	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-7.9	173.1	-76.7	176.2	-78.5	-168.1	-4.2	114.4	A84 C86	A84-R88 VanDerWaalsContact O-CZ 3.26Å; A84-R88 PolarHBondContact O-NE 3.28Å; A84-R88 PolarHBondContact O-NH2 2.84Å; C86-R88 PolarHBondContact O-N 2.9Å
89	N	54.7	Low	62.9	Low	98 Å²	98	90.2 Å²	90.2	52%	0.524	45%	0.445	S	S	.	.	S	Bend	trans	-144.4	77.6	-176.5	-104	82	0	0	0	108.8	C86 T91	C86-N89 CarbonylContact O-C 3.38Å; C86-N89 PolarHBondContact O-N 3.34Å; N89-T91 PolarHBondContact O-N 3.41Å
90	E	46	Very low	62.8	Low	186 Å²	186	90.4 Å²	90.4	87%	0.869	45%	0.446	S	S	*	.			trans	-75.8	88.5	177.3	-68.7	-165.6	129.7	0	0	111.8
91	T	47.9	Very low	62.7	Low	82 Å²	82	90.8 Å²	90.8	50%	0.503	45%	0.445	S	S	.	.			trans	-124.7	99.3	161.8	52.3	0	0	0	0	108.6	N89 D93	N89-T91 PolarHBondContact O-N 3.41Å; T91-D93 PolarHBondContact O-N 3.05Å
92	W	48.3	Very low	62.8	Low	157 Å²	157	88.6 Å²	88.6	60%	0.595	42%	0.422	S	S	*	.			trans	-91.7	90.2	178.7	-171.8	-70.4	0	0	0	110	V29 Q94	V29-W92 WeakPolarHBondContact O-CH2 3.4Å; W92-Q94 VanDerWaalsContact C-N 3.34Å; W92-Q94 PolarHBondContact O-N 3.21Å
93	D	56.7	Low	62.7	Low	66 Å²	66	89.6 Å²	89.6	35%	0.353	43%	0.434	S	S	.	.			trans	-76.9	81.9	-175.9	-59.5	-27.3	0	0	0	111.3	T91 E95 L96 V97	T91-D93 PolarHBondContact O-N 3.05Å; D93-E95 PolarHBondContact O-N 3.09Å; D93-E95 VanDerWaalsContact O-N 3.11Å; D93-L96 HydrophobicContact CB-CB 4.13Å; D93-L96 HydrophobicContact CB-CD1 3.78Å; D93-L96 HydrophobicContact CB-CG 3.83Å; D93-L96 PolarHBondContact O-N 3.39Å; D93-V97 PolarHBondContact O-N 3.24Å
94	Q	56.1	Low	62.3	Low	124 Å²	124	90.9 Å²	90.9	58%	0.579	45%	0.447	S	S	*	.	H	α-helix	trans	-55.2	-27.1	173.2	-64.2	-166.4	5.7	0	0	112.4	W92 V97 K98	W92-Q94 VanDerWaalsContact C-N 3.34Å; W92-Q94 PolarHBondContact O-N 3.21Å; Q94-V97 PolarHBondContact O-N 2.94Å; Q94-K98 WeakPolarHBondContact O-CG 3.2Å; Q94-K98 PolarHBondContact O-N 2.89Å; Q94-K98 VanDerWaalsContact O-N 3.16Å
95	E	59.9	Low	62.3	Low	161 Å²	161	89 Å²	89	75%	0.752	43%	0.43	S	S	*	.	H	α-helix	trans	-66.4	-38.2	176.7	-167	170.4	-161.7	0	0	112.2	D93 V97 K98 K99	D93-E95 PolarHBondContact O-N 3.09Å; D93-E95 VanDerWaalsContact O-N 3.11Å; E95-V97 VanDerWaalsContact C-N 3.35Å; E95-K98 PolarHBondContact O-N 3.42Å; E95-K99 VanDerWaalsContact O-CB 3.3Å; E95-K99 WeakPolarHBondContact O-CB 3.41Å; E95-K99 PolarHBondContact O-N 3.27Å
96	L	64.8	Low	62.5	Low	27 Å²	27	86.3 Å²	86.3	14%	0.141	42%	0.42	C	S	.	.	H	α-helix	trans	-67.6	-35.2	173.4	-67.3	179.3	0	0	0	112	L32 S34 D93 K98 K99 F100	L32-L96 HydrophobicContact CD2-CB 3.86Å; S34-L96 WeakPolarHBondContact OG-CD1 3.39Å; D93-L96 HydrophobicContact CB-CB 4.13Å; D93-L96 HydrophobicContact CB-CD1 3.78Å; D93-L96 HydrophobicContact CB-CG 3.83Å; D93-L96 PolarHBondContact O-N 3.39Å; L96-K98 PolarHBondContact O-N 2.95Å; L96-K99 PolarHBondContact O-N 3.06Å; L96-F100 HydrophobicContact CD2-CE2 4.14Å; L96-F100 PolarHBondContact O-N 3.19Å; L96-F100 VanDerWaalsContact O-N 3.11Å
97	V	60.2	Low	62.3	Low	42 Å²	42	91.8 Å²	91.8	26%	0.255	44%	0.443	S	S	.	.	H	α-helix	trans	-66.2	-26.3	174.6	-174.3	0	0	0	0	112.2	L32 D93 Q94 E95 F100	L32-V97 HydrophobicContact CD2-CG2 3.52Å; D93-V97 PolarHBondContact O-N 3.24Å; Q94-V97 PolarHBondContact O-N 2.94Å; E95-V97 VanDerWaalsContact C-N 3.35Å; V97-F100 VanDerWaalsContact O-O 3.06Å
98	K	62.5	Low	61.9	Low	167 Å²	167	93.4 Å²	93.4	73%	0.726	46%	0.459	S	S	*	.	H	α-helix	trans	-87.3	-38.2	174.6	-69.2	173.5	-177.2	175.4	0	112.5	Q94 E95 L96	Q94-K98 WeakPolarHBondContact O-CG 3.2Å; Q94-K98 PolarHBondContact O-N 2.89Å; Q94-K98 VanDerWaalsContact O-N 3.16Å; E95-K98 PolarHBondContact O-N 3.42Å; L96-K98 PolarHBondContact O-N 2.95Å
99	K	71.1	Confident	61.7	Low	121 Å²	121	91.7 Å²	91.7	53%	0.526	46%	0.463	S	S	.	.	H	α-helix	trans	-68.3	-34.6	-178.4	-178.7	173.2	179.1	175.1	0	113.1	L65 E95 L96	L65-K99 HydrophobicContact CD2-CG 4.29Å; E95-K99 VanDerWaalsContact O-CB 3.3Å; E95-K99 WeakPolarHBondContact O-CB 3.41Å; E95-K99 PolarHBondContact O-N 3.27Å; L96-K99 PolarHBondContact O-N 3.06Å
100	F	73.4	Confident	62.1	Low	5 Å²	5	88 Å²	88	2%	0.022	45%	0.446	C	S	.	.	S	Bend	trans	-115.8	133.9	176.3	-60.9	-89.9	0	0	0	109.1	T41 L43 W61 L65 L96 V97 I102	T41-F100 HydrophobicContact CG2-CE1 4.48Å; T41-F100 HydrophobicContact CG2-CE2 4.23Å; T41-F100 HydrophobicContact CG2-CZ 3.76Å; L43-F100 HydrophobicContact CD1-CB 3.71Å; L43-F100 HydrophobicContact CD1-CD1 4.08Å; L43-F100 HydrophobicContact CD1-CD2 3.6Å; L43-F100 HydrophobicContact CD1-CE2 4.18Å; L43-F100 HydrophobicContact CD1-CG 3.54Å; L43-F100 HydrophobicContact CD2-CD2 4.44Å; L43-F100 HydrophobicContact CD2-CE2 4.35Å; W61-F100 HydrophobicContact CB-CD1 3.91Å; W61-F100 HydrophobicContact CB-CE1 3.71Å; W61-F100 HydrophobicContact CD2-CB 4.5Å; W61-F100 AromaticContact CD2-CD1 3.71Å; W61-F100 HydrophobicContact CD2-CD1 3.71Å; W61-F100 HydrophobicContact CD2-CE1 4.44Å; W61-F100 AromaticContact CE3-CD1 3.98Å; W61-F100 HydrophobicContact CE3-CD1 3.98Å; W61-F100 AromaticContact CG-CD1 3.7Å; W61-F100 HydrophobicContact CG-CD1 3.7Å; W61-F100 AromaticContact CG-CE1 3.99Å; W61-F100 HydrophobicContact CG-CE1 3.99Å; W61-F100 HydrophobicContact CH2-CB 4.49Å; W61-F100 HydrophobicContact CZ2-CB 4.25Å; L65-F100 HydrophobicContact CD2-CD1 3.86Å; L65-F100 HydrophobicContact CD2-CE1 3.44Å; L65-F100 VanDerWaalsContact CD2-CE1 3.44Å; L65-F100 HydrophobicContact CD2-CZ 3.92Å; L96-F100 HydrophobicContact CD2-CE2 4.14Å; L96-F100 PolarHBondContact O-N 3.19Å; L96-F100 VanDerWaalsContact O-N 3.11Å; V97-F100 VanDerWaalsContact O-O 3.06Å; F100-I102 HydrophobicContact CB-CG1 4.24Å; F100-I102 PolarHBondContact O-N 2.86Å
101	S	69.7	Low	63	Low	66 Å²	66	83.9 Å²	83.9	46%	0.462	44%	0.436	S	S	.	.			trans	-75.8	54.8	-173.7	-50.1	0	0	0	0	113.3	S103 L104	S101-S103 PolarHBondContact O-N 2.93Å; S101-S103 VanDerWaalsContact O-N 3.13Å; S101-L104 WeakPolarHBondContact O-CB 3.43Å; S101-L104 PolarHBondContact O-N 3.09Å
102	I	73.1	Confident	64.1	Low	1 Å²	1	80.9 Å²	80.9	1%	0.005	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-55.5	-33.3	-174	-65.7	175.3	0	0	0	112	V29 L32 L43 F45 F100 L104 L105	V29-I102 HydrophobicContact CG2-CG2 4.02Å; L32-I102 HydrophobicContact CD1-CD1 3.89Å; L32-I102 HydrophobicContact CD2-CD1 3.71Å; L32-I102 HydrophobicContact CG-CD1 4.49Å; L43-I102 HydrophobicContact CD1-CD1 4.17Å; L43-I102 HydrophobicContact CD1-CG1 4.45Å; F45-I102 HydrophobicContact CD1-CD1 4.49Å; F45-I102 HydrophobicContact CD1-CG2 4.3Å; F45-I102 HydrophobicContact CD2-CG2 4.46Å; F45-I102 HydrophobicContact CE1-CG1 4.48Å; F45-I102 HydrophobicContact CE1-CG2 3.73Å; F45-I102 HydrophobicContact CE2-CG2 3.91Å; F45-I102 HydrophobicContact CZ-CG2 3.51Å; F100-I102 HydrophobicContact CB-CG1 4.24Å; F100-I102 PolarHBondContact O-N 2.86Å; I102-L104 PolarHBondContact O-N 2.91Å; I102-L104 VanDerWaalsContact O-N 3.16Å; I102-L105 VanDerWaalsContact O-CB 3.31Å; I102-L105 WeakPolarHBondContact O-CB 3.49Å; I102-L105 PolarHBondContact O-N 2.04Å
103	S	68.3	Low	65.2	Low	53 Å²	53	76.4 Å²	76.4	37%	0.371	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-53.7	-33.3	174.7	-49.3	0	0	0	0	113.4	S101 L105 L106 F107	S101-S103 PolarHBondContact O-N 2.93Å; S101-S103 VanDerWaalsContact O-N 3.13Å; S103-L105 PolarHBondContact O-N 3.4Å; S103-L106 PolarHBondContact O-N 3.29Å; S103-F107 WeakPolarHBondContact O-CD2 3.42Å; S103-F107 VanDerWaalsContact O-CE2 3.27Å; S103-F107 WeakPolarHBondContact O-CE2 3.24Å
104	L	67.4	Low	65.6	Low	111 Å²	111	77.2 Å²	77.2	58%	0.581	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-67.8	-19.8	178.2	-62.8	-179.7	0	0	0	113	S101 I102 L106 F107	S101-L104 WeakPolarHBondContact O-CB 3.43Å; S101-L104 PolarHBondContact O-N 3.09Å; I102-L104 PolarHBondContact O-N 2.91Å; I102-L104 VanDerWaalsContact O-N 3.16Å; L104-L106 VanDerWaalsContact C-N 3.28Å; L104-L106 PolarHBondContact O-N 3.12Å; L104-F107 HydrophobicContact CD2-CE2 4.32Å
105	L	72.6	Confident	65.9	Low	6 Å²	6	74 Å²	74	3%	0.031	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-83.1	-4.6	-179.3	-52.9	-175.9	0	0	0	113.7	F45 Y57 T59 W61 L67 I102 S103 A110	F45-L105 HydrophobicContact CE1-CD1 4.27Å; F45-L105 HydrophobicContact CZ-CD1 4.12Å; Y57-L105 WeakPolarHBondContact CE1-O 3.11Å; T59-L105 HydrophobicContact CG2-CD1 3.41Å; T59-L105 VanDerWaalsContact CG2-CD1 3.41Å; W61-L105 HydrophobicContact CZ2-CD1 3.77Å; W61-L105 HydrophobicContact CZ2-CD2 4.43Å; W61-L105 HydrophobicContact CZ2-CG 4.28Å; L67-L105 HydrophobicContact CD1-CD1 4.37Å; L67-L105 HydrophobicContact CD1-CD2 4.07Å; L67-L105 HydrophobicContact CD2-CD2 3.65Å; L67-L105 HydrophobicContact CG-CD2 4.43Å; I102-L105 VanDerWaalsContact O-CB 3.31Å; I102-L105 WeakPolarHBondContact O-CB 3.49Å; I102-L105 PolarHBondContact O-N 2.04Å; S103-L105 PolarHBondContact O-N 3.4Å; L105-A110 WeakPolarHBondContact O-CB 3.49Å
106	L	71	Confident	65.1	Low	47 Å²	47	75 Å²	75	25%	0.246	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-109.1	-3.9	-172.1	-60.5	175.5	0	0	0	113.4	P27 V29 F45 S47 Y57 S103 L104	P27-L106 HydrophobicContact CB-CD1 3.49Å; P27-L106 VanDerWaalsContact CB-CD1 3.49Å; V29-L106 HydrophobicContact CG2-CD1 3.64Å; F45-L106 HydrophobicContact CE2-CD2 4.3Å; S47-L106 WeakPolarHBondContact OG-CD2 3.19Å; Y57-L106 HydrophobicContact CE1-CD2 3.97Å; Y57-L106 HydrophobicContact CE2-CD2 4.12Å; S103-L106 PolarHBondContact O-N 3.29Å; L104-L106 VanDerWaalsContact C-N 3.28Å; L104-L106 PolarHBondContact O-N 3.12Å
107	F	63.8	Low	64.1	Low	126 Å²	126	79.3 Å²	79.3	55%	0.553	44%	0.436	S	S	*	.	S	Bend	trans	-75.4	152.4	168.8	-65.3	-83.4	0	0	0	110.5	S103 L104 D109 A110	S103-F107 WeakPolarHBondContact O-CD2 3.42Å; S103-F107 VanDerWaalsContact O-CE2 3.27Å; S103-F107 WeakPolarHBondContact O-CE2 3.24Å; L104-F107 HydrophobicContact CD2-CE2 4.32Å; F107-D109 PolarHBondContact O-N 3.35Å; F107-D109 VanDerWaalsContact O-N 3.16Å; F107-A110 VanDerWaalsContact O-CB 3.29Å; F107-A110 WeakPolarHBondContact O-CB 3.48Å; F107-A110 PolarHBondContact O-N 3.05Å; F107-A110 VanDerWaalsContact O-N 3.14Å
108	P	54.5	Low	62.8	Low	127 Å²	127	82.9 Å²	82.9	83%	0.825	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.2	-178.2	-26.7	36	0	0	0	114.3	A110	P108-A110 VanDerWaalsContact C-N 3.33Å; P108-A110 PolarHBondContact O-N 3.28Å
109	D	54.8	Low	61.5	Low	152 Å²	152	81.2 Å²	81.2	81%	0.813	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	11.7	-175.5	-48.3	-68	0	0	0	113.6	F107	F107-D109 PolarHBondContact O-N 3.35Å; F107-D109 VanDerWaalsContact O-N 3.16Å
110	A	62.3	Low	59.7	Low	20 Å²	20	81.4 Å²	81.4	17%	0.165	48%	0.475	C	S	.	.	S	Bend	trans	-61.8	145.5	176.4	0	0	0	0	0	111.8	L105 F107 P108 C112	L105-A110 WeakPolarHBondContact O-CB 3.49Å; F107-A110 VanDerWaalsContact O-CB 3.29Å; F107-A110 WeakPolarHBondContact O-CB 3.48Å; F107-A110 PolarHBondContact O-N 3.05Å; F107-A110 VanDerWaalsContact O-N 3.14Å; P108-A110 VanDerWaalsContact C-N 3.33Å; P108-A110 PolarHBondContact O-N 3.28Å; A110-C112 HydrophobicContact CB-CB 4.47Å; A110-C112 PolarHBondContact O-N 3.48Å
111	P	64	Low	57.4	Low	100 Å²	100	87.6 Å²	87.6	65%	0.649	51%	0.514	S	S	*	.	S	Bend	trans	-76.7	43.1	-178.3	34.7	-39.6	0	0	0	113.1	L67	L67-P111 HydrophobicContact CD2-CG 3.62Å
112	C	72.3	Confident	55.8	Low	20 Å²	20	90 Å²	90	14%	0.135	53%	0.528	C	S	.	.			trans	-115.4	115.8	-171.1	-73.3	0	0	0	0	110.9	C70 I72 A110	C70-C112 HydrophobicContact CB-CB 3.85Å; C70-C112 WeakPolarHBondContact CB-SG 3.38Å; C70-C112 WeakPolarHBondContact SG-CB 3.41Å; C70-C112 CovalentContact SG-SG 2.03Å; C70-C112 PolarHBondContact SG-SG 3.48Å; I72-C112 HydrophobicContact CD1-CB 3.6Å; I72-C112 HydrophobicContact CG1-CB 3.84Å; A110-C112 HydrophobicContact CB-CB 4.47Å; A110-C112 PolarHBondContact O-N 3.48Å
113	A	71.3	Confident	53.7	Low	62 Å²	62	99.4 Å²	99.4	51%	0.512	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.4	126.9	-175.9	0	0	0	0	0	112.6	C70 I72 V115	C70-A113 PolarHBondContact O-N 2.83Å; I72-A113 PolarHBondContact N-O 3.14Å; A113-V115 PolarHBondContact O-N 2.91Å
114	L	64.9	Low	52.2	Low	84 Å²	84	104.7 Å²	104.7	44%	0.44	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.9	101.1	175.2	-169	79.9	0	0	0	111.5	F55 I72 R116	F55-L114 HydrophobicContact CD1-CD1 4.14Å; F55-L114 HydrophobicContact CE1-CD1 4.19Å; I72-L114 HydrophobicContact CB-CD1 4.04Å; I72-L114 HydrophobicContact CG2-CD1 3.78Å; L114-R116 HydrophobicContact CD2-CG 4.22Å; L114-R116 PolarHBondContact O-N 2.9Å
115	V	61.5	Low	50.4	Low	57 Å²	57	106.7 Å²	106.7	35%	0.345	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.6	85.3	-179.9	-171.8	0	0	0	0	110.3	E71 I72 Y73 A113	E71-V115 HydrophobicContact CB-CG2 4.34Å; I72-V115 PolarHBondContact O-N 3.37Å; Y73-V115 HydrophobicContact CE1-CG1 4.34Å; A113-V115 PolarHBondContact O-N 2.91Å
116	R	43.9	Very low	48.3	Very low	181 Å²	181	109.6 Å²	109.6	68%	0.683	64%	0.643	S	S	*	*			trans	-78.4	134.9	166.3	-83.6	179.7	157	160.3	-5.7	110.8	L114 V118	L114-R116 HydrophobicContact CD2-CG 4.22Å; L114-R116 PolarHBondContact O-N 2.9Å; R116-V118 VanDerWaalsContact C-N 3.28Å; R116-V118 PolarHBondContact O-N 3.11Å
117	S	43.2	Very low	46.4	Very low	117 Å²	117	116.7 Å²	116.7	82%	0.818	67%	0.667	S	S	*	*			trans	-72.1	74.3	176.1	-65.7	0	0	0	0	112.8
118	V	33.6	Very low	44.6	Very low	118 Å²	118	122.9 Å²	122.9	72%	0.715	69%	0.686	S	S	*	*			trans	-127.1	143.9	172.2	-178.1	0	0	0	0	109.7	R116	R116-V118 VanDerWaalsContact C-N 3.28Å; R116-V118 PolarHBondContact O-N 3.11Å
119	V	34.5	Very low	43.8	Very low	132 Å²	132	126.5 Å²	126.5	80%	0.8	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-78.9	126.2	-178.6	179.1	0	0	0	0	110.3	T121	V119-T121 PolarHBondContact O-N 2.99Å
120	P	32.8	Very low	42.6	Very low	124 Å²	124	126.4 Å²	126.4	81%	0.805	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-74.9	126.2	178.2	-17.6	31.9	0	0	0	113.4
121	T	26.7	Very low	41.4	Very low	136 Å²	136	132.2 Å²	132.2	83%	0.834	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-88.7	151.6	154.7	29.5	0	0	0	0	110.7	V119	V119-T121 PolarHBondContact O-N 2.99Å
122	P	36.3	Very low	39.8	Very low	117 Å²	117	136.5 Å²	136.5	76%	0.76	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-95.5	142.6	-178.2	36	-32.3	0	0	0	113.2
123	E	28.3	Very low	38.3	Very low	198 Å²	198	141.6 Å²	141.6	93%	0.925	76%	0.759	S	S	*	*			trans	-121.6	167.4	159.4	-70	-158.2	131.4	0	0	110.9
124	L	37.3	Very low	36.3	Very low	164 Å²	164	146.1 Å²	146.1	86%	0.859	77%	0.77	S	S	*	*			trans	-112.6	131.6	-165.1	-66.8	104	0	0	0	114.1
125	T	29.7	Very low	34.9	Very low	153 Å²	153	153.3 Å²	153.3	94%	0.939	79%	0.791	S	S	*	*			trans	176.2	158.5	139	25.4	0	0	0	0	107.2
126	G	28.2	Very low	33.5	Very low	66 Å²	66	159 Å²	159	68%	0.68	81%	0.811	S	S	*	*			cis	-169.7	62.7	1.6	0	0	0	0	0	112.9
127	R	30.2	Very low	32.9	Very low	197 Å²	197	156 Å²	156	74%	0.743	81%	0.813	S	S	*	*			trans	49.3	111.7	157.9	-176.5	-172.4	178.5	179.5	-1.9	118.7
128	R	25.9	Very low	32.7	Very low	256 Å²	256	162 Å²	162	97%	0.966	82%	0.817	S	S	*	*				-132.1	152.4	127.7	-118.5	178.5	-175.8	-178	1.6	110.4
129	R	38.5	Very low	33	Very low	202 Å²	202	167.8 Å²	167.8	76%	0.762	83%	0.827	S	S	*	*			trans	-107.5	131.4	-174.1	-70.5	178.2	176.4	163	-6.7	110.6
130	T	30.3	Very low	33.4	Very low	151 Å²	151	170.5 Å²	170.5	93%	0.926	83%	0.828	S	S	*	*			trans	-137.5	147.2	139.4	19	0	0	0	0	106.6
131	D	36.7	Very low	34.1	Very low	142 Å²	142	176.8 Å²	176.8	76%	0.759	84%	0.835	S	S	*	*			trans	-115	116.4	-169.4	-177.8	16.8	0	0	0	109.7
132	E	30.8	Very low	35.4	Very low	190 Å²	190	172.6 Å²	172.6	89%	0.888	81%	0.811	S	S	*	*			trans	-153.6	140.6	159.3	-131.5	169.7	-163.5	0	0	110.7	E134	E132-E134 PolarHBondContact O-N 2.84Å
133	T	40.2	Very low	37.1	Very low	127 Å²	127	172.4 Å²	172.4	78%	0.779	80%	0.796	S	S	*	*			trans	-104	54.9	-150.2	27.4	0	0	0	0	115.3	R135	T133-R135 PolarHBondContact O-N 3.35Å
134	E	30.2	Very low	39.7	Very low	157 Å²	157	163.5 Å²	163.5	73%	0.734	75%	0.754	S	S	*	*			trans	-68.2	98.9	167.2	-83.7	-131.1	127.4	0	0	112.2	E132 K136	E132-E134 PolarHBondContact O-N 2.84Å; E134-K136 VanDerWaalsContact C-N 3.27Å; E134-K136 PolarHBondContact O-N 2.99Å; E134-K136 VanDerWaalsContact OE2-CE 3.27Å; E134-K136 WeakPolarHBondContact OE2-CE 3.04Å
135	R	35.1	Very low	41.8	Very low	235 Å²	235	156.3 Å²	156.3	89%	0.887	72%	0.716	S	S	*	*			trans	-68.6	82.8	165.4	-77.1	-179.4	170.2	159.7	-0.3	110.5	T133 T137	T133-R135 PolarHBondContact O-N 3.35Å; R135-T137 PolarHBondContact O-N 2.97Å
136	K	32.1	Very low	44.4	Very low	175 Å²	175	152.6 Å²	152.6	76%	0.761	69%	0.694	S	S	*	*			trans	-63.3	84.6	168.6	-72.7	-173.9	177.3	176.5	0	110.8	E134 R138	E134-K136 VanDerWaalsContact C-N 3.27Å; E134-K136 PolarHBondContact O-N 2.99Å; E134-K136 VanDerWaalsContact OE2-CE 3.27Å; E134-K136 WeakPolarHBondContact OE2-CE 3.04Å; K136-R138 PolarHBondContact O-N 3.11Å
137	T	31.8	Very low	47	Very low	119 Å²	119	150.6 Å²	150.6	73%	0.73	67%	0.674	S	S	*	*			trans	-57.6	122.5	172.4	44.4	0	0	0	0	109.2	R135 R139	R135-T137 PolarHBondContact O-N 2.97Å; T137-R139 PolarHBondContact O-N 3.05Å
138	R	37.8	Very low	49.7	Very low	242 Å²	242	141.4 Å²	141.4	91%	0.913	64%	0.64	S	S	*	*			trans	-52.8	103.2	171.6	-72.2	178.8	171.8	179.5	-5.1	109.4	K136 K140	K136-R138 PolarHBondContact O-N 3.11Å; R138-K140 PolarHBondContact O-N 3.45Å
139	R	40.6	Very low	52.9	Low	241 Å²	241	130.6 Å²	130.6	91%	0.909	60%	0.601	S	S	*	*			trans	-59.9	104.6	166.6	-78.9	-171	173.9	-162	-2.6	107	T137	T137-R139 PolarHBondContact O-N 3.05Å
140	K	43.2	Very low	55.5	Low	188 Å²	188	122 Å²	122	82%	0.817	57%	0.569	S	S	*	*			trans	-61.6	144.2	169.4	-61.2	172.2	-174.8	168.3	0	106.9	R138 S142	R138-K140 PolarHBondContact O-N 3.45Å; K140-S142 PolarHBondContact O-N 3.48Å
141	R	45.6	Very low	58.4	Low	257 Å²	257	115.4 Å²	115.4	97%	0.97	53%	0.528	S	S	*	.			trans	-66.1	104.2	166.8	-78.4	-173.3	177.4	174.5	-0.6	108
142	S	56	Low	60.8	Low	47 Å²	47	110.6 Å²	110.6	33%	0.329	51%	0.512	S	S	.	.			trans	-70.4	137	168.5	-72.5	0	0	0	0	110	K140 T153	K140-S142 PolarHBondContact O-N 3.48Å; S142-T153 WeakPolarHBondContact CB-O 3Å; S142-T153 PolarHBondContact OG-O 2.74Å
143	W	71.8	Confident	63.1	Low	114 Å²	114	104.4 Å²	104.4	43%	0.432	49%	0.488	S	S	.	.			trans	-70.9	129.6	163.9	-179.1	-94.8	0	0	0	108.4	G152 T153 M307 T310	W143-G152 CarbonylContact O-C 3.53Å; W143-G152 WeakPolarHBondContact O-CA 3.33Å; W143-T153 PolarHBondContact O-N 3.04Å; W143-M307 HydrophobicContact CZ2-SD 3.92Å; W143-T310 HydrophobicContact CH2-CG2 3.44Å; W143-T310 VanDerWaalsContact CH2-CG2 3.44Å; W143-T310 HydrophobicContact CZ2-CG2 4.48Å; W143-T310 HydrophobicContact CZ3-CG2 3.47Å; W143-T310 VanDerWaalsContact CZ3-CG2 3.47Å
144	I	82.3	Confident	64.8	Low	10 Å²	10	99.5 Å²	99.5	5%	0.051	46%	0.462	C	S	.	.	B	Isolated β-bridge	trans	-143.2	135.8	178	-52	-70	0	0	0	106.6	T148 C151 G154 K156	I144-T148 VanDerWaalsContact CG2-O 3.28Å; I144-T148 WeakPolarHBondContact CG2-O 3.32Å; I144-T148 WeakPolarHBondContact CG2-OG1 3.18Å; I144-C151 WeakPolarHBondContact CA-O 3.45Å; I144-G154 WeakPolarHBondContact CD1-O 3.35Å; I144-K156 HydrophobicContact CB-CD 4.03Å; I144-K156 HydrophobicContact CG1-CD 3.82Å; I144-K156 HydrophobicContact CG1-CG 3.93Å; I144-K156 HydrophobicContact CG2-CD 4.21Å
145	F	81.5	Confident	67.3	Low	14 Å²	14	94.2 Å²	94.2	6%	0.061	44%	0.443	C	S	.	.			trans	-58.9	135.8	-179.8	-170.9	-85.5	0	0	0	111	G147 T148 C151 F166 I220 M223 V224 F303	F145-G147 PolarHBondContact O-N 3.27Å; F145-T148 HydrophobicContact CB-CG2 4.31Å; F145-T148 WeakPolarHBondContact CB-OG1 3.47Å; F145-T148 HydrophobicContact CD1-CG2 3.94Å; F145-T148 PolarHBondContact O-N 2.82Å; F145-T148 VanDerWaalsContact O-N 3.09Å; F145-T148 PolarHBondContact O-OG1 3.34Å; F145-C151 HydrophobicContact CB-CB 3.99Å; F145-C151 PolarHBondContact N-O 2.93Å; F145-F166 HydrophobicContact CE1-CD2 4.36Å; F145-F166 HydrophobicContact CE1-CE2 4.36Å; F145-I220 HydrophobicContact CD1-CG2 4.24Å; F145-I220 HydrophobicContact CE1-CD1 4.31Å; F145-I220 HydrophobicContact CE1-CG2 3.65Å; F145-I220 HydrophobicContact CZ-CD1 4.49Å; F145-I220 HydrophobicContact CZ-CG2 4.25Å; F145-M223 HydrophobicContact CE2-CG 4.13Å; F145-M223 HydrophobicContact CE2-SD 3.75Å; F145-M223 HydrophobicContact CZ-CG 4.36Å; F145-M223 HydrophobicContact CZ-SD 3.64Å; F145-V224 HydrophobicContact CD1-CG2 4.45Å; F145-V224 HydrophobicContact CD2-CG2 4.22Å; F145-V224 HydrophobicContact CE2-CG2 4.48Å; F145-V224 HydrophobicContact CG-CG2 4.21Å; F145-F303 AromaticContact CE2-CE1 3.98Å; F145-F303 HydrophobicContact CE2-CE1 3.98Å; F145-F303 HydrophobicContact CE2-CZ 4.01Å; F145-F303 HydrophobicContact CZ-CE1 4.28Å; F145-F303 HydrophobicContact CZ-CZ 4.15Å
146	P	84.3	Confident	69.7	Low	74 Å²	74	88.7 Å²	88.7	48%	0.481	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	138.3	-179.8	-26.2	35.5	0	0	0	112.3	T148 F166	P146-T148 PolarHBondContact O-N 3.01Å; P146-F166 WeakPolarHBondContact O-CD2 3.49Å; P146-F166 VanDerWaalsContact O-CE2 3.28Å; P146-F166 WeakPolarHBondContact O-CE2 3.47Å
147	G	82.7	Confident	72.3	Confident	25 Å²	25	81.3 Å²	81.3	26%	0.258	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	4.2	-176.4	0	0	0	0	0	115.8	F145 G164 M165 F166	F145-G147 PolarHBondContact O-N 3.27Å; G147-G164 CarbonylContact O-C 3.33Å; G147-G164 VanDerWaalsContact O-C 3.27Å; G147-G164 WeakPolarHBondContact O-CA 3.31Å; G147-M165 WeakPolarHBondContact O-CG 3.4Å; G147-M165 PolarHBondContact O-N 3.4Å; G147-F166 PolarHBondContact O-N 3Å; G147-F166 VanDerWaalsContact O-N 3.11Å
148	T	87.7	Confident	74.7	Confident	4 Å²	4	80.4 Å²	80.4	3%	0.025	40%	0.401	C	S	.	.			trans	-119.6	159.8	173.3	70.9	0	0	0	0	110.6	I144 F145 P146 C151 F166 D170	I144-T148 VanDerWaalsContact CG2-O 3.28Å; I144-T148 WeakPolarHBondContact CG2-O 3.32Å; I144-T148 WeakPolarHBondContact CG2-OG1 3.18Å; F145-T148 HydrophobicContact CB-CG2 4.31Å; F145-T148 WeakPolarHBondContact CB-OG1 3.47Å; F145-T148 HydrophobicContact CD1-CG2 3.94Å; F145-T148 PolarHBondContact O-N 2.82Å; F145-T148 VanDerWaalsContact O-N 3.09Å; F145-T148 PolarHBondContact O-OG1 3.34Å; P146-T148 PolarHBondContact O-N 3.01Å; T148-C151 HydrophobicContact CG2-CB 4.06Å; T148-C151 WeakPolarHBondContact OG1-CB 3.31Å; T148-F166 HydrophobicContact CG2-CB 4.19Å; T148-F166 HydrophobicContact CG2-CD2 4.34Å; T148-D170 VanDerWaalsContact CB-OD1 3.31Å; T148-D170 WeakPolarHBondContact CB-OD1 3.2Å; T148-D170 HydrophobicContact CG2-CB 4.24Å
149	L	91.5	Very high	76.8	Confident	29 Å²	29	70.7 Å²	70.7	15%	0.152	38%	0.376	C	S	.	.	S	Bend	trans	-109.4	-26.6	174.3	-61.3	179.7	0	0	0	112.6	S155 K156 A157 Q162 D170	L149-S155 CarbonylContact O-C 3.59Å; L149-S155 WeakPolarHBondContact O-CA 3.43Å; L149-S155 PolarHBondContact O-OG 3.42Å; L149-K156 HydrophobicContact CB-CB 4.44Å; L149-K156 HydrophobicContact CD2-CB 3.91Å; L149-K156 PolarHBondContact O-N 3.33Å; L149-A157 HydrophobicContact CB-CB 4.15Å; L149-A157 HydrophobicContact CD1-CB 4.17Å; L149-Q162 HydrophobicContact CD1-CB 4.2Å; L149-Q162 HydrophobicContact CD1-CG 3.59Å; L149-D170 VanDerWaalsContact N-CG 3.3Å; L149-D170 PolarHBondContact N-OD1 3.1Å; L149-D170 PolarHBondContact N-OD2 2.98Å
150	W	94.2	Very high	78.9	Confident	21 Å²	21	64.2 Å²	64.2	8%	0.08	35%	0.353	C	S	.	.	S	Bend	trans	-111	-23.5	-173.5	-56.5	89.3	0	0	0	113.9	G152 S155 A157 Q162 D170 C173 R174 D177 H178	W150-G152 VanDerWaalsContact C-N 3.33Å; W150-G152 PolarHBondContact O-N 3.24Å; W150-S155 VanDerWaalsContact CD2-OG 3.26Å; W150-S155 WeakPolarHBondContact CZ3-OG 3.28Å; W150-A157 HydrophobicContact CH2-CB 4.11Å; W150-A157 HydrophobicContact CZ2-CB 3.39Å; W150-Q162 PolarHBondContact NE1-O 3.16Å; W150-D170 WeakPolarHBondContact CA-OD1 3.49Å; W150-D170 WeakPolarHBondContact CB-OD1 3.32Å; W150-D170 PolarHBondContact N-OD1 3.33Å; W150-C173 HydrophobicContact CB-CB 3.89Å; W150-R174 HydrophobicContact CB-CB 4.18Å; W150-R174 HydrophobicContact CD2-CB 3.81Å; W150-R174 HydrophobicContact CD2-CG 3.74Å; W150-R174 HydrophobicContact CE3-CB 4.39Å; W150-R174 HydrophobicContact CE3-CG 4.1Å; W150-R174 HydrophobicContact CG-CB 3.68Å; W150-R174 HydrophobicContact CG-CG 4.16Å; W150-R174 HydrophobicContact CH2-CG 4.43Å; W150-R174 HydrophobicContact CZ2-CG 4.06Å; W150-R174 HydrophobicContact CZ3-CG 4.45Å; W150-D177 HydrophobicContact CE3-CB 4.25Å; W150-H178 AromaticContact CH2-CE1 3.73Å; W150-H178 AromaticContact CZ3-CE1 3.39Å; W150-H178 WeakPolarHBondContact CZ3-CE1 3.4Å
151	C	90.8	Very high	81.1	Confident	12 Å²	12	62.1 Å²	62.1	8%	0.081	35%	0.346	C	S	.	.	S	Bend	trans	-73.1	79.6	-177.5	-57.6	0	0	0	0	113	I144 F145 T148 D170 C173 V224	I144-C151 WeakPolarHBondContact CA-O 3.45Å; F145-C151 HydrophobicContact CB-CB 3.99Å; F145-C151 PolarHBondContact N-O 2.93Å; T148-C151 HydrophobicContact CG2-CB 4.06Å; T148-C151 WeakPolarHBondContact OG1-CB 3.31Å; C151-D170 PolarHBondContact N-OD1 2.82Å; C151-C173 WeakPolarHBondContact CA-SG 3.49Å; C151-C173 HydrophobicContact CB-CB 3.82Å; C151-C173 WeakPolarHBondContact CB-SG 2.72Å; C151-C173 WeakPolarHBondContact SG-CB 3.48Å; C151-C173 CovalentContact SG-SG 2.03Å; C151-C173 PolarHBondContact SG-SG 3.45Å; C151-V224 HydrophobicContact CB-CG2 4.5Å
152	G	86.3	Confident	83.2	Confident	41 Å²	41	54.3 Å²	54.3	42%	0.423	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	170.3	-129.8	173	0	0	0	0	0	115.2	W143 W150 G154	W143-G152 CarbonylContact O-C 3.53Å; W143-G152 WeakPolarHBondContact O-CA 3.33Å; W150-G152 VanDerWaalsContact C-N 3.33Å; W150-G152 PolarHBondContact O-N 3.24Å; G152-G154 PolarHBondContact O-N 3.35Å
153	T	78.8	Confident	84.9	Confident	61 Å²	61	54.2 Å²	54.2	37%	0.374	32%	0.316	S	S	.	.	S	Bend	trans	-93.1	76.5	-175.6	-49.8	0	0	0	0	110.8	S142 W143	S142-T153 WeakPolarHBondContact CB-O 3Å; S142-T153 PolarHBondContact OG-O 2.74Å; W143-T153 PolarHBondContact O-N 3.04Å
154	G	77.1	Confident	85.6	Confident	23 Å²	23	49.3 Å²	49.3	24%	0.237	30%	0.301	C	S	.	.	S	Bend	trans	69	-158.8	-166.6	0	0	0	0	0	111.2	I144 G152 D177	I144-G154 WeakPolarHBondContact CD1-O 3.35Å; G152-G154 PolarHBondContact O-N 3.35Å; G154-D177 VanDerWaalsContact CA-OD2 3.31Å; G154-D177 WeakPolarHBondContact CA-OD2 3.3Å
155	S	82.8	Confident	85.9	Confident	47 Å²	47	55.8 Å²	55.8	33%	0.329	33%	0.333	S	S	.	.			trans	-115.6	152.5	-167.7	-169.5	0	0	0	0	116.3	L149 W150 A157	L149-S155 CarbonylContact O-C 3.59Å; L149-S155 WeakPolarHBondContact O-CA 3.43Å; L149-S155 PolarHBondContact O-OG 3.42Å; W150-S155 VanDerWaalsContact CD2-OG 3.26Å; W150-S155 WeakPolarHBondContact CZ3-OG 3.28Å; S155-A157 VanDerWaalsContact OG-CB 3.31Å; S155-A157 WeakPolarHBondContact OG-CB 3.4Å; S155-A157 PolarHBondContact OG-N 2.83Å
156	K	85.9	Confident	86.2	Confident	118 Å²	118	58.1 Å²	58.1	51%	0.513	34%	0.343	S	S	.	.			trans	-94.7	-14	164	-84.9	168.3	-173.6	172.2	0	113.4	I144 L149	I144-K156 HydrophobicContact CB-CD 4.03Å; I144-K156 HydrophobicContact CG1-CD 3.82Å; I144-K156 HydrophobicContact CG1-CG 3.93Å; I144-K156 HydrophobicContact CG2-CD 4.21Å; L149-K156 HydrophobicContact CB-CB 4.44Å; L149-K156 HydrophobicContact CD2-CB 3.91Å; L149-K156 PolarHBondContact O-N 3.33Å
157	A	85.9	Confident	86.6	Confident	21 Å²	21	60.6 Å²	60.6	17%	0.174	35%	0.348	C	S	.	.			trans	-62.1	146.4	-174.5	0	0	0	0	0	112.4	L149 W150 S155 Q162	L149-A157 HydrophobicContact CB-CB 4.15Å; L149-A157 HydrophobicContact CD1-CB 4.17Å; W150-A157 HydrophobicContact CH2-CB 4.11Å; W150-A157 HydrophobicContact CZ2-CB 3.39Å; S155-A157 VanDerWaalsContact OG-CB 3.31Å; S155-A157 WeakPolarHBondContact OG-CB 3.4Å; S155-A157 PolarHBondContact OG-N 2.83Å; A157-Q162 HydrophobicContact CB-CB 4.2Å
158	A	82.8	Confident	87	Confident	99 Å²	99	65.9 Å²	65.9	82%	0.818	36%	0.36	S	S	*	.	S	Bend	trans	-79.2	-25.5	173	0	0	0	0	0	112.6
159	G	81.7	Confident	87	Confident	38 Å²	38	65.7 Å²	65.7	39%	0.392	36%	0.36	S	S	.	.	S	Bend	trans	-157.8	165.6	177.7	0	0	0	0	0	111.6	E161 Q162	G159-E161 PolarHBondContact O-N 2.92Å; G159-Q162 WeakPolarHBondContact O-CB 3.19Å; G159-Q162 PolarHBondContact O-N 2.76Å; G159-Q162 VanDerWaalsContact O-N 3.11Å
160	Y	85.3	Confident	87.2	Confident	106 Å²	106	64.3 Å²	64.3	42%	0.416	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-43.6	-171.1	-176.4	-95.1	0	0	0	113.4	Q162 R174 H178	Y160-Q162 PolarHBondContact O-N 3.32Å; Y160-R174 HydrophobicContact CD2-CG 4.39Å; Y160-R174 VanDerWaalsContact CE1-CZ 3.41Å; Y160-R174 VanDerWaalsContact CE1-NH2 3.29Å; Y160-R174 HydrophobicContact CE2-CG 4Å; Y160-R174 WeakPolarHBondContact O-CD 3.32Å; Y160-R174 PolarHBondContact O-NH1 3.44Å; Y160-H178 AromaticContact CD2-CE1 3.45Å; Y160-H178 VanDerWaalsContact CD2-CE1 3.45Å; Y160-H178 WeakPolarHBondContact CD2-CE1 3.36Å; Y160-H178 AromaticContact CD2-NE2 3.45Å; Y160-H178 WeakPolarHBondContact CD2-NE2 3.2Å; Y160-H178 AromaticContact CE2-CD2 3.93Å; Y160-H178 AromaticContact CE2-CE1 3.46Å; Y160-H178 VanDerWaalsContact CE2-CE1 3.46Å; Y160-H178 WeakPolarHBondContact CE2-CE1 3.49Å; Y160-H178 AromaticContact CE2-CG 3.94Å; Y160-H178 AromaticContact CE2-ND1 3.66Å; Y160-H178 AromaticContact CE2-NE2 3.63Å
161	E	88.3	Confident	87.3	Confident	144 Å²	144	68.6 Å²	68.6	67%	0.673	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-1.4	-178.8	-58.3	-56	164.6	0	0	115.5	G159 L163 R174	G159-E161 PolarHBondContact O-N 2.92Å; E161-L163 PolarHBondContact O-N 3.28Å; E161-R174 IonicContact OE1-NH2 2.77Å; E161-R174 IonicContact OE2-CZ 3.96Å; E161-R174 VanDerWaalsContact OE2-CZ 3.28Å; E161-R174 IonicContact OE2-NH1 3.43Å; E161-R174 PolarHBondContact OE2-NH1 2.9Å; E161-R174 IonicContact OE2-NH2 3.8Å; E161-R174 PolarHBondContact OE2-NH2 2.98Å
162	Q	89	Confident	87.5	Confident	92 Å²	92	68 Å²	68	43%	0.43	37%	0.368	S	S	.	.			trans	-81.3	119.6	175.2	-161.2	-170.9	12	0	0	110.8	L149 W150 A157 G159 Y160	L149-Q162 HydrophobicContact CD1-CB 4.2Å; L149-Q162 HydrophobicContact CD1-CG 3.59Å; W150-Q162 PolarHBondContact NE1-O 3.16Å; A157-Q162 HydrophobicContact CB-CB 4.2Å; G159-Q162 WeakPolarHBondContact O-CB 3.19Å; G159-Q162 PolarHBondContact O-N 2.76Å; G159-Q162 VanDerWaalsContact O-N 3.11Å; Y160-Q162 PolarHBondContact O-N 3.32Å
163	L	91.7	Very high	88	Confident	45 Å²	45	66.3 Å²	66.3	24%	0.236	35%	0.349	C	S	.	.			trans	-111.9	159.7	170.5	-59.2	177.8	0	0	0	110.3	E161 E167 D170 K171 R174	E161-L163 PolarHBondContact O-N 3.28Å; L163-E167 HydrophobicContact CB-CB 4.41Å; L163-E167 HydrophobicContact CB-CG 4.12Å; L163-E167 HydrophobicContact CD1-CB 4.03Å; L163-E167 HydrophobicContact CD1-CG 4.4Å; L163-D170 HydrophobicContact CD2-CB 4.38Å; L163-K171 HydrophobicContact CD1-CB 4.15Å; L163-R174 HydrophobicContact CD2-CB 4.47Å
164	G	87.9	Confident	88.8	Confident	12 Å²	12	64.4 Å²	64.4	12%	0.124	34%	0.335	C	S	.	.			trans	-86.1	176.3	168.9	0	0	0	0	0	112.7	G147 F166 E167 D170	G147-G164 CarbonylContact O-C 3.33Å; G147-G164 VanDerWaalsContact O-C 3.27Å; G147-G164 WeakPolarHBondContact O-CA 3.31Å; G164-F166 PolarHBondContact O-N 2.68Å; G164-E167 VanDerWaalsContact O-CG 3.25Å; G164-E167 WeakPolarHBondContact O-CG 3.43Å; G164-E167 PolarHBondContact O-N 3.04Å; G164-E167 VanDerWaalsContact O-N 3.12Å; G164-D170 PolarHBondContact N-OD2 2.98Å
165	M	87.8	Confident	89.6	Confident	146 Å²	146	68.1 Å²	68.1	72%	0.719	35%	0.346	S	S	*	.	S	Bend	trans	-53.3	-23.1	-178	70.9	-167.5	-74.1	0	0	115	G147 E167	G147-M165 WeakPolarHBondContact O-CG 3.4Å; G147-M165 PolarHBondContact O-N 3.4Å; M165-E167 VanDerWaalsContact C-N 3.34Å; M165-E167 PolarHBondContact O-N 2.9Å
166	F	88.8	Confident	90.2	Very high	63 Å²	63	67.4 Å²	67.4	28%	0.276	34%	0.338	S	S	.	.			trans	-97.3	51.6	174.6	-57.6	-46.9	0	0	0	111.7	F145 P146 G147 T148 G164 R168 A169 D170 I220	F145-F166 HydrophobicContact CE1-CD2 4.36Å; F145-F166 HydrophobicContact CE1-CE2 4.36Å; P146-F166 WeakPolarHBondContact O-CD2 3.49Å; P146-F166 VanDerWaalsContact O-CE2 3.28Å; P146-F166 WeakPolarHBondContact O-CE2 3.47Å; G147-F166 PolarHBondContact O-N 3Å; G147-F166 VanDerWaalsContact O-N 3.11Å; T148-F166 HydrophobicContact CG2-CB 4.19Å; T148-F166 HydrophobicContact CG2-CD2 4.34Å; G164-F166 PolarHBondContact O-N 2.68Å; F166-R168 PolarHBondContact O-N 3.16Å; F166-A169 PolarHBondContact O-N 3.35Å; F166-D170 WeakPolarHBondContact O-CB 3.43Å; F166-D170 PolarHBondContact O-N 3.23Å; F166-I220 HydrophobicContact CB-CG2 4.01Å; F166-I220 HydrophobicContact CD1-CG1 3.85Å; F166-I220 HydrophobicContact CD2-CD1 4.38Å; F166-I220 HydrophobicContact CD2-CG1 4.17Å; F166-I220 HydrophobicContact CD2-CG2 3.88Å; F166-I220 HydrophobicContact CE1-CD1 4.24Å; F166-I220 HydrophobicContact CE1-CG1 3.95Å; F166-I220 HydrophobicContact CE2-CD1 4.05Å; F166-I220 HydrophobicContact CE2-CG1 4.26Å; F166-I220 HydrophobicContact CG-CB 4.38Å; F166-I220 HydrophobicContact CG-CG1 3.97Å; F166-I220 HydrophobicContact CG-CG2 3.96Å; F166-I220 HydrophobicContact CZ-CD1 3.98Å; F166-I220 HydrophobicContact CZ-CG1 4.16Å
167	E	91.6	Very high	90.5	Very high	126 Å²	126	64.5 Å²	64.5	59%	0.589	33%	0.328	S	S	*	.	H	α-helix	trans	-46.5	-40.2	-170.5	-62.7	-177.5	177.4	0	0	114.5	L163 G164 M165 D170 K171	L163-E167 HydrophobicContact CB-CB 4.41Å; L163-E167 HydrophobicContact CB-CG 4.12Å; L163-E167 HydrophobicContact CD1-CB 4.03Å; L163-E167 HydrophobicContact CD1-CG 4.4Å; G164-E167 VanDerWaalsContact O-CG 3.25Å; G164-E167 WeakPolarHBondContact O-CG 3.43Å; G164-E167 PolarHBondContact O-N 3.04Å; G164-E167 VanDerWaalsContact O-N 3.12Å; M165-E167 VanDerWaalsContact C-N 3.34Å; M165-E167 PolarHBondContact O-N 2.9Å; E167-D170 PolarHBondContact O-N 3.48Å; E167-K171 WeakPolarHBondContact O-CB 3.44Å; E167-K171 PolarHBondContact O-N 3.23Å
168	R	90.4	Very high	90.8	Very high	135 Å²	135	68.1 Å²	68.1	51%	0.509	34%	0.341	S	S	.	.	H	α-helix	trans	-60.4	-53.3	178.6	-79.2	-170.4	-72.4	156	-3.5	112.6	F166 C172 M216 D218	F166-R168 PolarHBondContact O-N 3.16Å; R168-C172 PolarHBondContact O-N 2.64Å; R168-M216 HydrophobicContact CB-CB 4.3Å; R168-M216 HydrophobicContact CB-CG 4.01Å; R168-M216 HydrophobicContact CB-SD 3.7Å; R168-M216 HydrophobicContact CG-SD 3.8Å; R168-M216 PolarHBondContact NH1-O 2.78Å; R168-D218 IonicContact NH1-OD1 2.95Å
169	A	89.5	Confident	91.2	Very high	1 Å²	1	64 Å²	64	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-66.3	-42.7	176.2	0	0	0	0	0	111.1	F166 K171 C172 C173 I220 S221	F166-A169 PolarHBondContact O-N 3.35Å; A169-K171 VanDerWaalsContact C-N 3.33Å; A169-K171 PolarHBondContact O-N 3.19Å; A169-C172 WeakPolarHBondContact O-CB 3.38Å; A169-C172 PolarHBondContact O-N 3.32Å; A169-C173 PolarHBondContact O-N 2.97Å; A169-C173 VanDerWaalsContact O-N 3.07Å; A169-C173 PolarHBondContact O-SG 2.59Å; A169-I220 HydrophobicContact CB-CB 4.46Å; A169-I220 HydrophobicContact CB-CG2 3.94Å; A169-S221 WeakPolarHBondContact CA-OG 3.17Å; A169-S221 WeakPolarHBondContact CB-OG 3.42Å
170	D	94.9	Very high	91.5	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.5	-31.9	-176	-156.1	27.3	0	0	0	112.7	T148 L149 W150 C151 L163 G164 F166 E167 C173 R174	T148-D170 VanDerWaalsContact CB-OD1 3.31Å; T148-D170 WeakPolarHBondContact CB-OD1 3.2Å; T148-D170 HydrophobicContact CG2-CB 4.24Å; L149-D170 VanDerWaalsContact N-CG 3.3Å; L149-D170 PolarHBondContact N-OD1 3.1Å; L149-D170 PolarHBondContact N-OD2 2.98Å; W150-D170 WeakPolarHBondContact CA-OD1 3.49Å; W150-D170 WeakPolarHBondContact CB-OD1 3.32Å; W150-D170 PolarHBondContact N-OD1 3.33Å; C151-D170 PolarHBondContact N-OD1 2.82Å; L163-D170 HydrophobicContact CD2-CB 4.38Å; G164-D170 PolarHBondContact N-OD2 2.98Å; F166-D170 WeakPolarHBondContact O-CB 3.43Å; F166-D170 PolarHBondContact O-N 3.23Å; E167-D170 PolarHBondContact O-N 3.48Å; D170-C173 PolarHBondContact O-N 3.21Å; D170-R174 WeakPolarHBondContact O-CB 3.45Å; D170-R174 PolarHBondContact O-N 3.2Å
171	K	95.3	Very high	91.7	Very high	110 Å²	110	63.7 Å²	63.7	48%	0.478	31%	0.31	S	S	.	.	H	α-helix	trans	-64.4	-42.7	171.3	-177.7	176.1	179.1	177.3	0	112	L163 E167 A169 C173 R174 E175	L163-K171 HydrophobicContact CD1-CB 4.15Å; E167-K171 WeakPolarHBondContact O-CB 3.44Å; E167-K171 PolarHBondContact O-N 3.23Å; A169-K171 VanDerWaalsContact C-N 3.33Å; A169-K171 PolarHBondContact O-N 3.19Å; K171-C173 VanDerWaalsContact C-N 3.31Å; K171-C173 PolarHBondContact O-N 2.94Å; K171-R174 PolarHBondContact O-N 3.31Å; K171-E175 PolarHBondContact O-N 3.06Å
172	C	96.4	Very high	91.8	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-61.4	-41.6	173.7	-62.9	0	0	0	0	111.3	R168 A169 E175 H176 F209 C212 L213 M216	R168-C172 PolarHBondContact O-N 2.64Å; A169-C172 WeakPolarHBondContact O-CB 3.38Å; A169-C172 PolarHBondContact O-N 3.32Å; C172-E175 PolarHBondContact O-N 2.9Å; C172-H176 PolarHBondContact O-N 3.11Å; C172-H176 VanDerWaalsContact O-N 3.12Å; C172-F209 HydrophobicContact CB-CD2 4.06Å; C172-F209 HydrophobicContact CB-CE2 4.1Å; C172-F209 WeakPolarHBondContact O-CD2 3.34Å; C172-C212 WeakPolarHBondContact CA-SG 3.46Å; C172-C212 HydrophobicContact CB-CB 3.75Å; C172-C212 WeakPolarHBondContact CB-SG 3.45Å; C172-C212 WeakPolarHBondContact SG-CB 3.46Å; C172-C212 CovalentContact SG-SG 2.04Å; C172-C212 PolarHBondContact SG-SG 3.27Å; C172-L213 HydrophobicContact CB-CD2 3.8Å; C172-L213 HydrophobicContact CB-CG 4.13Å; C172-M216 VanDerWaalsContact SG-CE 3.58Å
173	C	95.6	Very high	91.5	Very high	4 Å²	4	55 Å²	55	3%	0.027	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-41.4	175.8	-61.3	0	0	0	0	112.1	W150 C151 A169 D170 K171 E175 H176 D177 F209	W150-C173 HydrophobicContact CB-CB 3.89Å; C151-C173 WeakPolarHBondContact CA-SG 3.49Å; C151-C173 HydrophobicContact CB-CB 3.82Å; C151-C173 WeakPolarHBondContact CB-SG 2.72Å; C151-C173 WeakPolarHBondContact SG-CB 3.48Å; C151-C173 CovalentContact SG-SG 2.03Å; C151-C173 PolarHBondContact SG-SG 3.45Å; A169-C173 PolarHBondContact O-N 2.97Å; A169-C173 VanDerWaalsContact O-N 3.07Å; A169-C173 PolarHBondContact O-SG 2.59Å; D170-C173 PolarHBondContact O-N 3.21Å; K171-C173 VanDerWaalsContact C-N 3.31Å; K171-C173 PolarHBondContact O-N 2.94Å; C173-E175 VanDerWaalsContact C-N 3.34Å; C173-E175 PolarHBondContact O-N 2.98Å; C173-H176 PolarHBondContact O-N 2.67Å; C173-D177 WeakPolarHBondContact O-CB 3.27Å; C173-D177 PolarHBondContact O-N 3.3Å; C173-F209 HydrophobicContact CB-CE2 4.41Å
174	R	95.6	Very high	91	Very high	21 Å²	21	55.1 Å²	55.1	8%	0.079	27%	0.274	C	S	.	.	H	α-helix	trans	-58.5	-44.5	175.1	-176.4	-179.8	78.9	179.5	14.7	111.9	W150 Y160 E161 L163 D170 K171 H176 H178	W150-R174 HydrophobicContact CB-CB 4.18Å; W150-R174 HydrophobicContact CD2-CB 3.81Å; W150-R174 HydrophobicContact CD2-CG 3.74Å; W150-R174 HydrophobicContact CE3-CB 4.39Å; W150-R174 HydrophobicContact CE3-CG 4.1Å; W150-R174 HydrophobicContact CG-CB 3.68Å; W150-R174 HydrophobicContact CG-CG 4.16Å; W150-R174 HydrophobicContact CH2-CG 4.43Å; W150-R174 HydrophobicContact CZ2-CG 4.06Å; W150-R174 HydrophobicContact CZ3-CG 4.45Å; Y160-R174 HydrophobicContact CD2-CG 4.39Å; Y160-R174 VanDerWaalsContact CE1-CZ 3.41Å; Y160-R174 VanDerWaalsContact CE1-NH2 3.29Å; Y160-R174 HydrophobicContact CE2-CG 4Å; Y160-R174 WeakPolarHBondContact O-CD 3.32Å; Y160-R174 PolarHBondContact O-NH1 3.44Å; E161-R174 IonicContact OE1-NH2 2.77Å; E161-R174 IonicContact OE2-CZ 3.96Å; E161-R174 VanDerWaalsContact OE2-CZ 3.28Å; E161-R174 IonicContact OE2-NH1 3.43Å; E161-R174 PolarHBondContact OE2-NH1 2.9Å; E161-R174 IonicContact OE2-NH2 3.8Å; E161-R174 PolarHBondContact OE2-NH2 2.98Å; L163-R174 HydrophobicContact CD2-CB 4.47Å; D170-R174 WeakPolarHBondContact O-CB 3.45Å; D170-R174 PolarHBondContact O-N 3.2Å; K171-R174 PolarHBondContact O-N 3.31Å; R174-H176 VanDerWaalsContact C-N 3.35Å; R174-H178 PolarHBondContact O-N 2.94Å; R174-H178 PolarHBondContact O-ND1 2.84Å
175	E	94.6	Very high	90.5	Very high	102 Å²	102	56 Å²	56	48%	0.477	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-41.6	178.1	-168	177.9	153.1	0	0	111.3	K171 C172 C173 H178	K171-E175 PolarHBondContact O-N 3.06Å; C172-E175 PolarHBondContact O-N 2.9Å; C173-E175 VanDerWaalsContact C-N 3.34Å; C173-E175 PolarHBondContact O-N 2.98Å; E175-H178 PolarHBondContact O-N 3.2Å
176	H	94.4	Very high	89.8	Confident	32 Å²	32	53.9 Å²	53.9	15%	0.148	27%	0.267	C	S	.	.	H	α-helix	trans	-64.6	-43.3	176.5	-173.9	-113.5	0	0	0	113.5	C172 C173 R174 H178 C179 S201 D206 F209 F228	C172-H176 PolarHBondContact O-N 3.11Å; C172-H176 VanDerWaalsContact O-N 3.12Å; C173-H176 PolarHBondContact O-N 2.67Å; R174-H176 VanDerWaalsContact C-N 3.35Å; H176-H178 PolarHBondContact O-N 3.44Å; H176-H178 VanDerWaalsContact O-N 3.12Å; H176-C179 WeakPolarHBondContact O-CB 3.36Å; H176-C179 PolarHBondContact O-N 3.44Å; H176-S201 PolarHBondContact NE2-OG 3.38Å; H176-D206 IonicContact CD2-OD1 3.88Å; H176-D206 IonicContact CE1-OD1 3.98Å; H176-D206 IonicContact NE2-OD1 3.65Å; H176-D206 PolarHBondContact NE2-OD1 3.21Å; H176-F209 HydrophobicContact CB-CB 4.07Å; H176-F209 HydrophobicContact CB-CD1 4.44Å; H176-F209 HydrophobicContact CB-CD2 3.75Å; H176-F209 HydrophobicContact CB-CE2 4.26Å; H176-F209 HydrophobicContact CB-CG 3.86Å; H176-F209 AromaticContact CD2-CD1 3.94Å; H176-F209 AromaticContact CD2-CG 3.82Å; H176-F209 AromaticContact CG-CD1 3.94Å; H176-F209 AromaticContact CG-CG 3.77Å; H176-F228 AromaticContact CE1-CE2 3.65Å; H176-F228 AromaticContact CE1-CZ 3.56Å; H176-F228 AromaticContact NE2-CZ 3.95Å
177	D	93.1	Very high	88.7	Confident	56 Å²	56	53.5 Å²	53.5	30%	0.299	27%	0.27	S	S	.	.	H	α-helix	trans	-64.6	-15.5	179.5	-138.3	33.3	0	0	0	112.4	W150 G154 C173	W150-D177 HydrophobicContact CE3-CB 4.25Å; G154-D177 VanDerWaalsContact CA-OD2 3.31Å; G154-D177 WeakPolarHBondContact CA-OD2 3.3Å; C173-D177 WeakPolarHBondContact O-CB 3.27Å; C173-D177 PolarHBondContact O-N 3.3Å
178	H	92.7	Very high	87.7	Confident	98 Å²	98	52.1 Å²	52.1	45%	0.454	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	16.1	175.8	-69	83.7	0	0	0	114.3	W150 Y160 R174 E175 H176 S180	W150-H178 AromaticContact CH2-CE1 3.73Å; W150-H178 AromaticContact CZ3-CE1 3.39Å; W150-H178 WeakPolarHBondContact CZ3-CE1 3.4Å; Y160-H178 AromaticContact CD2-CE1 3.45Å; Y160-H178 VanDerWaalsContact CD2-CE1 3.45Å; Y160-H178 WeakPolarHBondContact CD2-CE1 3.36Å; Y160-H178 AromaticContact CD2-NE2 3.45Å; Y160-H178 WeakPolarHBondContact CD2-NE2 3.2Å; Y160-H178 AromaticContact CE2-CD2 3.93Å; Y160-H178 AromaticContact CE2-CE1 3.46Å; Y160-H178 VanDerWaalsContact CE2-CE1 3.46Å; Y160-H178 WeakPolarHBondContact CE2-CE1 3.49Å; Y160-H178 AromaticContact CE2-CG 3.94Å; Y160-H178 AromaticContact CE2-ND1 3.66Å; Y160-H178 AromaticContact CE2-NE2 3.63Å; R174-H178 PolarHBondContact O-N 2.94Å; R174-H178 PolarHBondContact O-ND1 2.84Å; E175-H178 PolarHBondContact O-N 3.2Å; H176-H178 PolarHBondContact O-N 3.44Å; H176-H178 VanDerWaalsContact O-N 3.12Å; H178-S180 PolarHBondContact O-N 2.86Å
179	C	91.1	Very high	87	Confident	13 Å²	13	48.7 Å²	48.7	9%	0.088	26%	0.262	C	S	.	.			trans	-53.7	129.7	169.1	-174.4	0	0	0	0	111.1	H176 D181 I182 C205	H176-C179 WeakPolarHBondContact O-CB 3.36Å; H176-C179 PolarHBondContact O-N 3.44Å; C179-D181 VanDerWaalsContact C-N 3.3Å; C179-D181 PolarHBondContact O-N 2.79Å; C179-I182 HydrophobicContact CB-CG2 3.91Å; C179-C205 HydrophobicContact CB-CB 3.68Å; C179-C205 WeakPolarHBondContact CB-SG 3.41Å; C179-C205 WeakPolarHBondContact SG-CB 3.46Å; C179-C205 CovalentContact SG-SG 2.04Å; C179-C205 PolarHBondContact SG-SG 3.3Å
180	S	88.4	Confident	86.3	Confident	98 Å²	98	50.7 Å²	50.7	69%	0.685	27%	0.269	S	S	*	.	S	Bend	trans	-62.1	-37.8	-178.8	50.7	0	0	0	0	112.8	H178	H178-S180 PolarHBondContact O-N 2.86Å
181	D	89.5	Confident	85	Confident	39 Å²	39	53.9 Å²	53.9	21%	0.209	30%	0.302	C	S	.	.	S	Bend	trans	-113.6	99.4	-169.4	-65.9	-88	0	0	0	110.2	C179 Y190 H202 F237 L239	C179-D181 VanDerWaalsContact C-N 3.3Å; C179-D181 PolarHBondContact O-N 2.79Å; D181-Y190 WeakPolarHBondContact CA-OH 3.39Å; D181-Y190 WeakPolarHBondContact CB-OH 3.29Å; D181-Y190 VanDerWaalsContact OD1-CZ 3.29Å; D181-Y190 PolarHBondContact OD1-OH 2.95Å; D181-H202 HydrophobicContact CB-CB 4.21Å; D181-H202 PolarHBondContact O-N 2.94Å; D181-H202 VanDerWaalsContact O-N 3.1Å; D181-F237 HydrophobicContact CB-CE2 4.38Å; D181-F237 HydrophobicContact CB-CZ 4.07Å; D181-F237 WeakPolarHBondContact O-CE1 3.25Å; D181-F237 VanDerWaalsContact O-CZ 3.22Å; D181-F237 WeakPolarHBondContact O-CZ 3.42Å; D181-L239 HydrophobicContact CB-CD1 4.42Å
182	I	89.3	Confident	83.5	Confident	50 Å²	50	50.2 Å²	50.2	26%	0.256	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.5	-177	60.1	168.2	0	0	0	112.7	C179 P184 N189 T199 V200	C179-I182 HydrophobicContact CB-CG2 3.91Å; I182-P184 HydrophobicContact CD1-CG 4.16Å; I182-P184 HydrophobicContact CG1-CG 4.45Å; I182-N189 PolarHBondContact O-ND2 3.25Å; I182-T199 HydrophobicContact CB-CG2 3.81Å; I182-T199 HydrophobicContact CD1-CG2 4.23Å; I182-T199 HydrophobicContact CG2-CG2 4.11Å; I182-V200 WeakPolarHBondContact CA-O 3.43Å
183	I	82.4	Confident	82.2	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	95.7	167.7	-40.5	-175	0	0	0	108.2	N189 Y190 N194 V200 F237 P264	I183-N189 HydrophobicContact CB-CB 4.43Å; I183-N189 HydrophobicContact CG1-CB 4.23Å; I183-N189 HydrophobicContact CG2-CB 4.04Å; I183-Y190 HydrophobicContact CD1-CD2 4.49Å; I183-Y190 HydrophobicContact CG1-CD2 4.25Å; I183-N194 HydrophobicContact CB-CB 4.06Å; I183-N194 HydrophobicContact CG2-CB 3.54Å; I183-N194 PolarHBondContact O-ND2 2.04Å; I183-V200 PolarHBondContact N-O 3.32Å; I183-V200 PolarHBondContact O-N 3.26Å; I183-V200 VanDerWaalsContact O-N 3.09Å; I183-F237 HydrophobicContact CD1-CD1 4.26Å; I183-F237 HydrophobicContact CD1-CE1 4.26Å; I183-F237 HydrophobicContact CG1-CD1 4.22Å; I183-F237 HydrophobicContact CG1-CE1 3.77Å; I183-F237 HydrophobicContact CG1-CZ 4.08Å; I183-P264 HydrophobicContact CD1-CG 4.09Å
184	P	81.2	Confident	81.2	Confident	49 Å²	49	54.6 Å²	54.6	32%	0.318	31%	0.308	S	S	.	.			trans	-58.3	153.7	-178.7	-26.7	34.6	0	0	0	114	I182 F186 T187	I182-P184 HydrophobicContact CD1-CG 4.16Å; I182-P184 HydrophobicContact CG1-CG 4.45Å; P184-F186 PolarHBondContact O-N 3.22Å; P184-T187 HydrophobicContact CB-CG2 3.96Å; P184-T187 WeakPolarHBondContact CD-OG1 3.27Å; P184-T187 WeakPolarHBondContact O-CB 3.42Å; P184-T187 PolarHBondContact O-N 3.15Å; P184-T187 PolarHBondContact O-OG1 3.1Å
185	A	77.1	Confident	79.9	Confident	30 Å²	30	57.1 Å²	57.1	25%	0.248	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	125.8	-178.6	0	0	0	0	0	113.8	T187 N196 F197	A185-T187 VanDerWaalsContact C-N 3.25Å; A185-T187 PolarHBondContact O-N 3.25Å; A185-N196 WeakPolarHBondContact CA-O 3.46Å; A185-F197 VanDerWaalsContact CB-O 3.25Å; A185-F197 WeakPolarHBondContact CB-O 3.35Å
186	F	73.7	Confident	78.6	Confident	102 Å²	102	54.3 Å²	54.3	45%	0.447	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	26.1	-177.2	-47.9	-66.3	0	0	0	116.1	P184 F193 N194 P195 N196 F197	P184-F186 PolarHBondContact O-N 3.22Å; F186-F193 WeakPolarHBondContact O-CE2 3.27Å; F186-N194 VanDerWaalsContact CA-O 3.27Å; F186-N194 WeakPolarHBondContact CA-O 3.48Å; F186-N194 PolarHBondContact N-O 3.25Å; F186-P195 VanDerWaalsContact CE1-O 3.27Å; F186-P195 WeakPolarHBondContact CE1-O 3.26Å; F186-N196 PolarHBondContact N-O 3.19Å; F186-F197 HydrophobicContact CE2-CB 3.89Å; F186-F197 HydrophobicContact CZ-CB 3.7Å
187	T	66.4	Low	77.4	Confident	55 Å²	55	57.7 Å²	57.7	34%	0.337	33%	0.33	S	S	.	.			trans	-111.5	176	175.5	72.4	0	0	0	0	112.7	P184 A185 F193 N194	P184-T187 HydrophobicContact CB-CG2 3.96Å; P184-T187 WeakPolarHBondContact CD-OG1 3.27Å; P184-T187 WeakPolarHBondContact O-CB 3.42Å; P184-T187 PolarHBondContact O-N 3.15Å; P184-T187 PolarHBondContact O-OG1 3.1Å; A185-T187 VanDerWaalsContact C-N 3.25Å; A185-T187 PolarHBondContact O-N 3.25Å; T187-F193 WeakPolarHBondContact O-CA 3.06Å; T187-F193 VanDerWaalsContact O-CD2 3.25Å; T187-F193 WeakPolarHBondContact O-CD2 3.04Å; T187-N194 PolarHBondContact O-N 3.21Å
188	V	71	Confident	76.7	Confident	97 Å²	97	56.4 Å²	56.4	59%	0.588	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.2	172.4	-179.4	0	0	0	0	108.2	V192 F193	V188-V192 VanDerWaalsContact CA-O 3.3Å; V188-V192 WeakPolarHBondContact CA-O 3.5Å; V188-F193 HydrophobicContact CG2-CB 4.02Å; V188-F193 HydrophobicContact CG2-CD2 3.85Å; V188-F193 HydrophobicContact CG2-CG 4.43Å
189	N	74.8	Confident	76.2	Confident	63 Å²	63	54.5 Å²	54.5	34%	0.337	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.5	168.4	-161.5	7.7	0	0	0	109.6	I182 I183 G191 V192	I182-N189 PolarHBondContact O-ND2 3.25Å; I183-N189 HydrophobicContact CB-CB 4.43Å; I183-N189 HydrophobicContact CG1-CB 4.23Å; I183-N189 HydrophobicContact CG2-CB 4.04Å; N189-G191 PolarHBondContact O-N 3.12Å; N189-V192 PolarHBondContact N-O 3.34Å; N189-V192 PolarHBondContact O-N 3.35Å; N189-V192 VanDerWaalsContact O-O 3.08Å
190	Y	75.3	Confident	76.1	Confident	42 Å²	42	53.9 Å²	53.9	17%	0.165	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	27.4	-175.2	-45.1	-84.2	0	0	0	114.9	D181 I183 F237 L239 F263 P264	D181-Y190 WeakPolarHBondContact CA-OH 3.39Å; D181-Y190 WeakPolarHBondContact CB-OH 3.29Å; D181-Y190 VanDerWaalsContact OD1-CZ 3.29Å; D181-Y190 PolarHBondContact OD1-OH 2.95Å; I183-Y190 HydrophobicContact CD1-CD2 4.49Å; I183-Y190 HydrophobicContact CG1-CD2 4.25Å; Y190-F237 HydrophobicContact CD2-CE2 4.1Å; Y190-F237 HydrophobicContact CD2-CZ 4.17Å; Y190-F237 HydrophobicContact CE2-CE2 4.07Å; Y190-F237 AromaticContact CE2-CZ 3.85Å; Y190-F237 HydrophobicContact CE2-CZ 3.85Å; Y190-L239 HydrophobicContact CD1-CD1 4.18Å; Y190-L239 HydrophobicContact CD1-CD2 3.55Å; Y190-L239 HydrophobicContact CD2-CD2 4.18Å; Y190-L239 HydrophobicContact CE1-CD1 3.86Å; Y190-L239 HydrophobicContact CE1-CD2 4.04Å; Y190-L239 HydrophobicContact CG-CD2 3.64Å; Y190-F263 PolarHBondContact O-N 2.73Å; Y190-P264 VanDerWaalsContact O-CD 3.27Å; Y190-P264 WeakPolarHBondContact O-CD 3.48Å
191	G	66.6	Low	76.2	Confident	67 Å²	67	49.4 Å²	49.4	69%	0.691	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-2.7	-176.7	0	0	0	0	0	116.2	N189	N189-G191 PolarHBondContact O-N 3.12Å
192	V	64.1	Low	76.2	Confident	33 Å²	33	49.6 Å²	49.6	20%	0.2	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.4	-175.1	170.4	0	0	0	0	111.9	V188 N189 P264	V188-V192 VanDerWaalsContact CA-O 3.3Å; V188-V192 WeakPolarHBondContact CA-O 3.5Å; N189-V192 PolarHBondContact N-O 3.34Å; N189-V192 PolarHBondContact O-N 3.35Å; N189-V192 VanDerWaalsContact O-O 3.08Å; V192-P264 HydrophobicContact CB-CG 3.62Å; V192-P264 HydrophobicContact CG1-CG 4.3Å; V192-P264 HydrophobicContact CG2-CG 3.6Å
193	F	70	Confident	76.3	Confident	95 Å²	95	48.3 Å²	48.3	42%	0.417	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.7	176.5	176.5	-111.2	0	0	0	110.8	F186 T187 V188 P195	F186-F193 WeakPolarHBondContact O-CE2 3.27Å; T187-F193 WeakPolarHBondContact O-CA 3.06Å; T187-F193 VanDerWaalsContact O-CD2 3.25Å; T187-F193 WeakPolarHBondContact O-CD2 3.04Å; V188-F193 HydrophobicContact CG2-CB 4.02Å; V188-F193 HydrophobicContact CG2-CD2 3.85Å; V188-F193 HydrophobicContact CG2-CG 4.43Å; F193-P195 HydrophobicContact CD1-CB 4.28Å; F193-P195 HydrophobicContact CE1-CB 3.98Å; F193-P195 VanDerWaalsContact O-CD 3.3Å; F193-P195 WeakPolarHBondContact O-CD 3.21Å
194	N	74.7	Confident	76.7	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	30%	0.296	C	S	.	.			trans	-82.7	112.2	168	175.8	10.1	0	0	0	109.5	I183 F186 T187 N196 F198	I183-N194 HydrophobicContact CB-CB 4.06Å; I183-N194 HydrophobicContact CG2-CB 3.54Å; I183-N194 PolarHBondContact O-ND2 2.04Å; F186-N194 VanDerWaalsContact CA-O 3.27Å; F186-N194 WeakPolarHBondContact CA-O 3.48Å; F186-N194 PolarHBondContact N-O 3.25Å; T187-N194 PolarHBondContact O-N 3.21Å; N194-N196 VanDerWaalsContact C-N 3.29Å; N194-N196 PolarHBondContact O-N 3.43Å; N194-N196 VanDerWaalsContact OD1-CB 3.23Å; N194-N196 WeakPolarHBondContact OD1-CB 3.49Å; N194-N196 PolarHBondContact OD1-N 3.26Å; N194-N196 PolarHBondContact OD1-ND2 3.09Å; N194-F198 PolarHBondContact ND2-O 3.34Å
195	P	66.9	Low	77.3	Confident	73 Å²	73	51.5 Å²	51.5	47%	0.474	29%	0.289	S	S	.	.			trans	-79.8	-10.2	179.5	35.6	-36.9	0	0	0	113.5	F186 F193	F186-P195 VanDerWaalsContact CE1-O 3.27Å; F186-P195 WeakPolarHBondContact CE1-O 3.26Å; F193-P195 HydrophobicContact CD1-CB 4.28Å; F193-P195 HydrophobicContact CE1-CB 3.98Å; F193-P195 VanDerWaalsContact O-CD 3.3Å; F193-P195 WeakPolarHBondContact O-CD 3.21Å
196	N	69.1	Low	78.1	Confident	43 Å²	43	50.2 Å²	50.2	23%	0.23	28%	0.278	C	S	.	.	S	Bend	trans	-80.3	161.8	-173.9	-54.2	-63.1	0	0	0	112.2	A185 F186 N194 F198	A185-N196 WeakPolarHBondContact CA-O 3.46Å; F186-N196 PolarHBondContact N-O 3.19Å; N194-N196 VanDerWaalsContact C-N 3.29Å; N194-N196 PolarHBondContact O-N 3.43Å; N194-N196 VanDerWaalsContact OD1-CB 3.23Å; N194-N196 WeakPolarHBondContact OD1-CB 3.49Å; N194-N196 PolarHBondContact OD1-N 3.26Å; N194-N196 PolarHBondContact OD1-ND2 3.09Å; N196-F198 VanDerWaalsContact C-N 3.33Å; N196-F198 HydrophobicContact CB-CD1 4.47Å; N196-F198 HydrophobicContact CB-CD2 3.69Å; N196-F198 HydrophobicContact CB-CE1 4.22Å; N196-F198 HydrophobicContact CB-CE2 3.36Å; N196-F198 HydrophobicContact CB-CG 4.24Å; N196-F198 HydrophobicContact CB-CZ 3.68Å
197	F	68.5	Low	79	Confident	103 Å²	103	50.3 Å²	50.3	45%	0.452	28%	0.28	S	S	.	.	S	Bend	trans	-86	-4.9	176.7	65	-91.1	0	0	0	113.7	A185 F186 L232	A185-F197 VanDerWaalsContact CB-O 3.25Å; A185-F197 WeakPolarHBondContact CB-O 3.35Å; F186-F197 HydrophobicContact CE2-CB 3.89Å; F186-F197 HydrophobicContact CZ-CB 3.7Å; F197-L232 HydrophobicContact CZ-CD2 4.34Å
198	F	77.4	Confident	80.3	Confident	30 Å²	30	53.9 Å²	53.9	13%	0.132	29%	0.287	C	S	.	.	S	Bend	trans	-114.1	160.6	174	43.8	-106.7	0	0	0	110.7	N194 N196 V200 V234	N194-F198 PolarHBondContact ND2-O 3.34Å; N196-F198 VanDerWaalsContact C-N 3.33Å; N196-F198 HydrophobicContact CB-CD1 4.47Å; N196-F198 HydrophobicContact CB-CD2 3.69Å; N196-F198 HydrophobicContact CB-CE1 4.22Å; N196-F198 HydrophobicContact CB-CE2 3.36Å; N196-F198 HydrophobicContact CB-CG 4.24Å; N196-F198 HydrophobicContact CB-CZ 3.68Å; F198-V200 HydrophobicContact CD2-CG2 4.49Å; F198-V200 HydrophobicContact CE2-CG2 4.43Å; F198-V234 HydrophobicContact CD2-CB 4.49Å; F198-V234 HydrophobicContact CD2-CG1 3.93Å; F198-V234 HydrophobicContact CD2-CG2 4.04Å; F198-V234 HydrophobicContact CE2-CB 4.19Å; F198-V234 HydrophobicContact CE2-CG1 3.89Å; F198-V234 HydrophobicContact CE2-CG2 3.96Å; F198-V234 HydrophobicContact CG-CG2 4.37Å; F198-V234 HydrophobicContact CZ-CG2 4.19Å
199	T	83.9	Confident	81.5	Confident	57 Å²	57	49.8 Å²	49.8	35%	0.35	26%	0.261	S	S	.	.			trans	-66.2	144.7	171.9	-60.7	0	0	0	0	110.2	I182	I182-T199 HydrophobicContact CB-CG2 3.81Å; I182-T199 HydrophobicContact CD1-CG2 4.23Å; I182-T199 HydrophobicContact CG2-CG2 4.11Å
200	V	87.2	Confident	82.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130	172.9	158.1	0	0	0	0	107.5	I182 I183 F198 P235 F237 L266	I182-V200 WeakPolarHBondContact CA-O 3.43Å; I183-V200 PolarHBondContact N-O 3.32Å; I183-V200 PolarHBondContact O-N 3.26Å; I183-V200 VanDerWaalsContact O-N 3.09Å; F198-V200 HydrophobicContact CD2-CG2 4.49Å; F198-V200 HydrophobicContact CE2-CG2 4.43Å; V200-P235 WeakPolarHBondContact CG1-O 3.4Å; V200-P235 HydrophobicContact CG2-CG 4.1Å; V200-F237 HydrophobicContact CG1-CD1 3.76Å; V200-F237 HydrophobicContact CG1-CE1 4.39Å; V200-L266 HydrophobicContact CG1-CD2 4.05Å
201	S	91.3	Very high	83.2	Confident	4 Å²	4	53 Å²	53	3%	0.028	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	167.5	-172.7	110.4	0	0	0	0	112.4	H176 C205 D206 C236 F237	H176-S201 PolarHBondContact NE2-OG 3.38Å; S201-C205 WeakPolarHBondContact OG-CB 3.28Å; S201-D206 WeakPolarHBondContact CB-OD1 3.5Å; S201-D206 PolarHBondContact OG-OD1 3.2Å; S201-C236 VanDerWaalsContact O-CA 3.32Å; S201-C236 WeakPolarHBondContact O-CA 3.47Å; S201-C236 WeakPolarHBondContact O-CB 3.4Å; S201-F237 VanDerWaalsContact C-CD1 3.49Å; S201-F237 WeakPolarHBondContact O-CD1 3.02Å; S201-F237 PolarHBondContact O-N 3.02Å
202	H	90.5	Very high	84.6	Confident	42 Å²	42	51.1 Å²	51.1	19%	0.194	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-62.3	140.1	172.8	-165.4	-116.6	0	0	0	111.2	D181 E204 C205 D206 F237 L239	D181-H202 HydrophobicContact CB-CB 4.21Å; D181-H202 PolarHBondContact O-N 2.94Å; D181-H202 VanDerWaalsContact O-N 3.1Å; H202-E204 PolarHBondContact O-N 3.18Å; H202-C205 WeakPolarHBondContact O-CB 3.48Å; H202-C205 PolarHBondContact O-N 2.88Å; H202-D206 PolarHBondContact O-N 2.56Å; H202-F237 CarbonylContact C-O 3.58Å; H202-F237 WeakPolarHBondContact CA-O 2.98Å; H202-F237 PolarHBondContact CD2-O 3.29Å; H202-L239 PolarHBondContact NE2-N 3.24Å
203	C	90.6	Very high	86.1	Confident	23 Å²	23	49.6 Å²	49.6	16%	0.155	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-27.2	-175.1	-68	0	0	0	0	113.8	Q207 C236 F237 E238	C203-Q207 WeakPolarHBondContact O-CB 3.32Å; C203-Q207 PolarHBondContact O-N 2.77Å; C203-C236 WeakPolarHBondContact CA-SG 3.34Å; C203-C236 HydrophobicContact CB-CB 3.84Å; C203-C236 WeakPolarHBondContact CB-SG 3.24Å; C203-C236 WeakPolarHBondContact SG-CB 3.11Å; C203-C236 CovalentContact SG-SG 2.04Å; C203-C236 PolarHBondContact SG-SG 2.82Å; C203-F237 PolarHBondContact N-O 3.32Å; C203-F237 PolarHBondContact SG-N 3.3Å; C203-F237 VanDerWaalsContact SG-N 3.38Å; C203-F237 PolarHBondContact SG-O 2.82Å; C203-E238 HydrophobicContact CB-CG 4.37Å
204	E	90.8	Very high	87.1	Confident	93 Å²	93	48.2 Å²	48.2	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-68.5	-38.3	173	-165.8	-175.4	167.2	0	0	112.8	H202 Q207 R208	H202-E204 PolarHBondContact O-N 3.18Å; E204-Q207 PolarHBondContact O-N 2.9Å; E204-R208 VanDerWaalsContact O-CG 3.31Å; E204-R208 WeakPolarHBondContact O-CG 3.5Å; E204-R208 PolarHBondContact O-N 3.13Å; E204-R208 IonicContact OE1-CZ 2.81Å; E204-R208 IonicContact OE1-NE 2.71Å; E204-R208 PolarHBondContact OE1-NE 3.18Å; E204-R208 IonicContact OE1-NH2 3.34Å; E204-R208 PolarHBondContact OE1-NH2 3.08Å
205	C	93.5	Very high	87.9	Confident	25 Å²	25	51.2 Å²	51.2	17%	0.169	27%	0.268	C	S	.	.	H	α-helix	trans	-65.8	-45.6	176.1	-64.2	0	0	0	0	110.8	C179 S201 H202 Q207 R208 F209	C179-C205 HydrophobicContact CB-CB 3.68Å; C179-C205 WeakPolarHBondContact CB-SG 3.41Å; C179-C205 WeakPolarHBondContact SG-CB 3.46Å; C179-C205 CovalentContact SG-SG 2.04Å; C179-C205 PolarHBondContact SG-SG 3.3Å; S201-C205 WeakPolarHBondContact OG-CB 3.28Å; H202-C205 WeakPolarHBondContact O-CB 3.48Å; H202-C205 PolarHBondContact O-N 2.88Å; C205-Q207 VanDerWaalsContact C-N 3.31Å; C205-Q207 PolarHBondContact O-N 3.29Å; C205-R208 PolarHBondContact O-N 3.25Å; C205-F209 VanDerWaalsContact O-CB 3.3Å; C205-F209 WeakPolarHBondContact O-CB 3.41Å; C205-F209 PolarHBondContact O-N 3.27Å
206	D	93.6	Very high	89	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-37.7	173.7	-81.1	22.5	0	0	0	111.8	H176 S201 H202 R210 F229 C236	H176-D206 IonicContact CD2-OD1 3.88Å; H176-D206 IonicContact CE1-OD1 3.98Å; H176-D206 IonicContact NE2-OD1 3.65Å; H176-D206 PolarHBondContact NE2-OD1 3.21Å; S201-D206 WeakPolarHBondContact CB-OD1 3.5Å; S201-D206 PolarHBondContact OG-OD1 3.2Å; H202-D206 PolarHBondContact O-N 2.56Å; D206-R210 WeakPolarHBondContact O-CB 3.06Å; D206-R210 PolarHBondContact O-N 2.83Å; D206-F229 HydrophobicContact CB-CE1 4.38Å; D206-F229 WeakPolarHBondContact O-CZ 3.07Å; D206-C236 HydrophobicContact CB-CB 4.29Å; D206-C236 WeakPolarHBondContact OD2-CB 3.39Å
207	Q	92.3	Very high	89.6	Confident	103 Å²	103	54.7 Å²	54.7	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-66.2	-47.1	175.6	178.7	175.9	-15.4	0	0	112.3	C203 E204 C205 F209 R210 Q211	C203-Q207 WeakPolarHBondContact O-CB 3.32Å; C203-Q207 PolarHBondContact O-N 2.77Å; E204-Q207 PolarHBondContact O-N 2.9Å; C205-Q207 VanDerWaalsContact C-N 3.31Å; C205-Q207 PolarHBondContact O-N 3.29Å; Q207-F209 VanDerWaalsContact C-N 3.33Å; Q207-F209 PolarHBondContact O-N 3.5Å; Q207-R210 WeakPolarHBondContact O-CB 3.36Å; Q207-R210 PolarHBondContact O-N 3.2Å; Q207-Q211 WeakPolarHBondContact O-CG 3.34Å; Q207-Q211 PolarHBondContact O-N 3.14Å
208	R	94.6	Very high	90.2	Very high	131 Å²	131	50.9 Å²	50.9	49%	0.494	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-42.2	175.9	-70.3	175.6	-172.2	-158.8	7.7	111.1	E204 C205 R210 Q211 C212	E204-R208 VanDerWaalsContact O-CG 3.31Å; E204-R208 WeakPolarHBondContact O-CG 3.5Å; E204-R208 PolarHBondContact O-N 3.13Å; E204-R208 IonicContact OE1-CZ 2.81Å; E204-R208 IonicContact OE1-NE 2.71Å; E204-R208 PolarHBondContact OE1-NE 3.18Å; E204-R208 IonicContact OE1-NH2 3.34Å; E204-R208 PolarHBondContact OE1-NH2 3.08Å; C205-R208 PolarHBondContact O-N 3.25Å; R208-R210 PolarHBondContact O-N 2.99Å; R208-Q211 PolarHBondContact O-N 3.1Å; R208-C212 WeakPolarHBondContact O-CB 3.22Å; R208-C212 PolarHBondContact O-N 3.31Å
209	F	95.3	Very high	90.4	Very high	10 Å²	10	53 Å²	53	4%	0.044	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-45.6	174.9	179.5	-130.9	0	0	0	112.1	C172 C173 H176 C205 Q207 Q211 C212 L213 V224 F228 F229	C172-F209 HydrophobicContact CB-CD2 4.06Å; C172-F209 HydrophobicContact CB-CE2 4.1Å; C172-F209 WeakPolarHBondContact O-CD2 3.34Å; C173-F209 HydrophobicContact CB-CE2 4.41Å; H176-F209 HydrophobicContact CB-CB 4.07Å; H176-F209 HydrophobicContact CB-CD1 4.44Å; H176-F209 HydrophobicContact CB-CD2 3.75Å; H176-F209 HydrophobicContact CB-CE2 4.26Å; H176-F209 HydrophobicContact CB-CG 3.86Å; H176-F209 AromaticContact CD2-CD1 3.94Å; H176-F209 AromaticContact CD2-CG 3.82Å; H176-F209 AromaticContact CG-CD1 3.94Å; H176-F209 AromaticContact CG-CG 3.77Å; C205-F209 VanDerWaalsContact O-CB 3.3Å; C205-F209 WeakPolarHBondContact O-CB 3.41Å; C205-F209 PolarHBondContact O-N 3.27Å; Q207-F209 VanDerWaalsContact C-N 3.33Å; Q207-F209 PolarHBondContact O-N 3.5Å; F209-Q211 VanDerWaalsContact C-N 3.34Å; F209-Q211 PolarHBondContact O-N 3.42Å; F209-C212 PolarHBondContact O-N 2.04Å; F209-L213 HydrophobicContact CD1-CD1 4.33Å; F209-L213 HydrophobicContact CD2-CD1 4.07Å; F209-L213 HydrophobicContact CD2-CG 4.16Å; F209-L213 HydrophobicContact CE1-CD1 3.94Å; F209-L213 HydrophobicContact CE2-CD1 3.64Å; F209-L213 HydrophobicContact CE2-CD2 4.14Å; F209-L213 HydrophobicContact CE2-CG 3.91Å; F209-L213 HydrophobicContact CG-CD1 4.39Å; F209-L213 HydrophobicContact CZ-CD1 3.59Å; F209-L213 HydrophobicContact CZ-CG 4.36Å; F209-L213 WeakPolarHBondContact O-CG 3.45Å; F209-L213 PolarHBondContact O-N 3.37Å; F209-V224 HydrophobicContact CZ-CG1 4.03Å; F209-F228 HydrophobicContact CD1-CD1 4.38Å; F209-F228 HydrophobicContact CD1-CE1 4.39Å; F209-F228 HydrophobicContact CE1-CB 4.27Å; F209-F228 HydrophobicContact CE1-CD1 4.15Å; F209-F228 AromaticContact CE1-CD2 3.9Å; F209-F228 HydrophobicContact CE1-CD2 3.9Å; F209-F228 HydrophobicContact CE1-CE1 4.46Å; F209-F228 HydrophobicContact CE1-CE2 4.22Å; F209-F228 AromaticContact CE1-CG 3.85Å; F209-F228 HydrophobicContact CE1-CG 3.85Å; F209-F228 HydrophobicContact CE1-CZ 4.5Å; F209-F229 HydrophobicContact CD1-CE2 4Å; F209-F229 AromaticContact CD1-CZ 3.85Å; F209-F229 HydrophobicContact CD1-CZ 3.85Å; F209-F229 HydrophobicContact CE1-CE2 4.31Å
210	R	92.9	Very high	90.4	Very high	65 Å²	65	51.5 Å²	51.5	25%	0.245	27%	0.274	C	S	.	.	H	α-helix	trans	-58.4	-43.8	173.1	-171.5	180	176.6	-75.3	-0.5	112	D206 Q207 R208 L214 F229 Y271 I273 F274	D206-R210 WeakPolarHBondContact O-CB 3.06Å; D206-R210 PolarHBondContact O-N 2.83Å; Q207-R210 WeakPolarHBondContact O-CB 3.36Å; Q207-R210 PolarHBondContact O-N 3.2Å; R208-R210 PolarHBondContact O-N 2.99Å; R210-L214 HydrophobicContact CG-CD1 4.19Å; R210-L214 VanDerWaalsContact NH1-CD1 3.33Å; R210-L214 VanDerWaalsContact O-CG 3.26Å; R210-L214 WeakPolarHBondContact O-CG 3.44Å; R210-L214 PolarHBondContact O-N 3.02Å; R210-F229 HydrophobicContact CB-CE1 4.3Å; R210-F229 HydrophobicContact CB-CE2 3.83Å; R210-F229 HydrophobicContact CB-CZ 3.63Å; R210-F229 HydrophobicContact CG-CE2 4.16Å; R210-F229 HydrophobicContact CG-CZ 4.3Å; R210-Y271 PolarHBondContact NE-O 3.2Å; R210-I273 PolarHBondContact NE-O 2.95Å; R210-I273 PolarHBondContact NH2-O 3.29Å; R210-F274 HydrophobicContact CG-CD2 4Å; R210-F274 HydrophobicContact CG-CE2 4.12Å
211	Q	94.1	Very high	90.4	Very high	108 Å²	108	51.4 Å²	51.4	51%	0.505	27%	0.274	S	S	.	.	H	α-helix	trans	-66.3	-42.2	178.6	-72.7	171.6	-25.7	0	0	112	Q207 R208 F209 L214 G215	Q207-Q211 WeakPolarHBondContact O-CG 3.34Å; Q207-Q211 PolarHBondContact O-N 3.14Å; R208-Q211 PolarHBondContact O-N 3.1Å; F209-Q211 VanDerWaalsContact C-N 3.34Å; F209-Q211 PolarHBondContact O-N 3.42Å; Q211-L214 PolarHBondContact O-N 3.24Å; Q211-G215 PolarHBondContact O-N 2.93Å
212	C	96.4	Very high	90.1	Very high	27 Å²	27	52.5 Å²	52.5	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-53.4	176.6	-172.4	0	0	0	0	111.3	C172 R208 F209 L214 G215 M216	C172-C212 WeakPolarHBondContact CA-SG 3.46Å; C172-C212 HydrophobicContact CB-CB 3.75Å; C172-C212 WeakPolarHBondContact CB-SG 3.45Å; C172-C212 WeakPolarHBondContact SG-CB 3.46Å; C172-C212 CovalentContact SG-SG 2.04Å; C172-C212 PolarHBondContact SG-SG 3.27Å; R208-C212 WeakPolarHBondContact O-CB 3.22Å; R208-C212 PolarHBondContact O-N 3.31Å; F209-C212 PolarHBondContact O-N 2.04Å; C212-L214 VanDerWaalsContact C-N 3.28Å; C212-L214 PolarHBondContact O-N 3.15Å; C212-G215 PolarHBondContact O-N 3.23Å; C212-M216 WeakPolarHBondContact O-CG 3.49Å; C212-M216 PolarHBondContact O-N 3.13Å; C212-M216 VanDerWaalsContact O-N 3.12Å
213	L	94.7	Very high	89.8	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-33.1	-179.8	-67.6	173.2	0	0	0	113.3	C172 F209 S221 V224 F274	C172-L213 HydrophobicContact CB-CD2 3.8Å; C172-L213 HydrophobicContact CB-CG 4.13Å; F209-L213 HydrophobicContact CD1-CD1 4.33Å; F209-L213 HydrophobicContact CD2-CD1 4.07Å; F209-L213 HydrophobicContact CD2-CG 4.16Å; F209-L213 HydrophobicContact CE1-CD1 3.94Å; F209-L213 HydrophobicContact CE2-CD1 3.64Å; F209-L213 HydrophobicContact CE2-CD2 4.14Å; F209-L213 HydrophobicContact CE2-CG 3.91Å; F209-L213 HydrophobicContact CG-CD1 4.39Å; F209-L213 HydrophobicContact CZ-CD1 3.59Å; F209-L213 HydrophobicContact CZ-CG 4.36Å; F209-L213 WeakPolarHBondContact O-CG 3.45Å; F209-L213 PolarHBondContact O-N 3.37Å; L213-S221 WeakPolarHBondContact O-CB 3.45Å; L213-V224 HydrophobicContact CD1-CG1 4.11Å; L213-V224 HydrophobicContact CD2-CB 4.44Å; L213-V224 HydrophobicContact CD2-CG1 4.2Å; L213-F274 HydrophobicContact CB-CE2 3.84Å; L213-F274 HydrophobicContact CB-CZ 3.74Å; L213-F274 HydrophobicContact CD1-CE2 4.33Å
214	L	91.2	Very high	89.7	Confident	66 Å²	66	52 Å²	52	35%	0.346	28%	0.278	S	S	.	.	H	α-helix	trans	-70.7	-39.9	173	-72.8	170.8	0	0	0	112.1	R210 Q211 C212 M216 N217 F274 P275	R210-L214 HydrophobicContact CG-CD1 4.19Å; R210-L214 VanDerWaalsContact NH1-CD1 3.33Å; R210-L214 VanDerWaalsContact O-CG 3.26Å; R210-L214 WeakPolarHBondContact O-CG 3.44Å; R210-L214 PolarHBondContact O-N 3.02Å; Q211-L214 PolarHBondContact O-N 3.24Å; C212-L214 VanDerWaalsContact C-N 3.28Å; C212-L214 PolarHBondContact O-N 3.15Å; L214-M216 VanDerWaalsContact C-N 3.28Å; L214-M216 PolarHBondContact O-N 2.98Å; L214-N217 PolarHBondContact O-N 2.93Å; L214-F274 HydrophobicContact CD2-CE1 3.88Å; L214-F274 HydrophobicContact CD2-CE2 4.07Å; L214-F274 HydrophobicContact CD2-CZ 3.6Å; L214-F274 HydrophobicContact CG-CE2 3.86Å; L214-F274 HydrophobicContact CG-CZ 3.74Å; L214-P275 HydrophobicContact CD2-CG 3.82Å
215	G	91.6	Very high	89.6	Confident	65 Å²	65	47.6 Å²	47.6	67%	0.67	26%	0.257	S	S	*	.	H	α-helix	trans	-66.2	-26.1	178.8	0	0	0	0	0	114.2	Q211 C212 N217	Q211-G215 PolarHBondContact O-N 2.93Å; C212-G215 PolarHBondContact O-N 3.23Å; G215-N217 VanDerWaalsContact C-N 3.33Å; G215-N217 PolarHBondContact O-N 3.4Å
216	M	88.9	Confident	89.1	Confident	44 Å²	44	49.4 Å²	49.4	22%	0.217	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-24.9	178.7	-64.4	-56.9	171.9	0	0	113.8	R168 C172 C212 L214 D218 S221	R168-M216 HydrophobicContact CB-CB 4.3Å; R168-M216 HydrophobicContact CB-CG 4.01Å; R168-M216 HydrophobicContact CB-SD 3.7Å; R168-M216 HydrophobicContact CG-SD 3.8Å; R168-M216 PolarHBondContact NH1-O 2.78Å; C172-M216 VanDerWaalsContact SG-CE 3.58Å; C212-M216 WeakPolarHBondContact O-CG 3.49Å; C212-M216 PolarHBondContact O-N 3.13Å; C212-M216 VanDerWaalsContact O-N 3.12Å; L214-M216 VanDerWaalsContact C-N 3.28Å; L214-M216 PolarHBondContact O-N 2.98Å; M216-D218 WeakPolarHBondContact CB-OD1 3.22Å; M216-D218 PolarHBondContact O-N 3.5Å; M216-S221 WeakPolarHBondContact CB-OG 3.46Å
217	N	81.7	Confident	88.5	Confident	145 Å²	145	49.8 Å²	49.8	78%	0.775	26%	0.264	S	S	*	.			trans	45.7	53.5	178.7	-166.7	32.7	0	0	0	114	L214 G215	L214-N217 PolarHBondContact O-N 2.93Å; G215-N217 VanDerWaalsContact C-N 3.33Å; G215-N217 PolarHBondContact O-N 3.4Å
218	D	82.5	Confident	88.2	Confident	24 Å²	24	46.4 Å²	46.4	13%	0.128	25%	0.248	C	C	.	.	S	Bend	trans	-137.3	157.8	176.5	78.3	-97.6	0	0	0	112.2	R168 M216 I220 S221 S222	R168-D218 IonicContact NH1-OD1 2.95Å; M216-D218 WeakPolarHBondContact CB-OD1 3.22Å; M216-D218 PolarHBondContact O-N 3.5Å; D218-I220 VanDerWaalsContact C-N 3.31Å; D218-I220 PolarHBondContact O-N 2.91Å; D218-I220 WeakPolarHBondContact OD2-CA 3.39Å; D218-I220 WeakPolarHBondContact OD2-CB 3.47Å; D218-I220 PolarHBondContact OD2-N 3.12Å; D218-S221 PolarHBondContact O-N 2.82Å; D218-S221 VanDerWaalsContact OD1-CB 3.25Å; D218-S221 WeakPolarHBondContact OD1-CB 3.35Å; D218-S221 PolarHBondContact OD1-OG 2.93Å; D218-S221 PolarHBondContact OD2-N 3.33Å; D218-S222 PolarHBondContact O-N 3.41Å; D218-S222 PolarHBondContact O-OG 2.96Å
219	S	81	Confident	87.8	Confident	73 Å²	73	40.5 Å²	40.5	51%	0.51	23%	0.226	S	C	.	.	H	α-helix	trans	-64.4	-29.5	-174.4	51.7	0	0	0	0	114.2	M223	S219-M223 VanDerWaalsContact O-CB 3.26Å; S219-M223 WeakPolarHBondContact O-CB 3.3Å; S219-M223 PolarHBondContact O-N 3.5Å
220	I	83.4	Confident	87.1	Confident	26 Å²	26	41.5 Å²	41.5	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-76.5	-46.2	177.9	-54.6	-59.5	0	0	0	109.7	F145 F166 A169 D218 S222 M223 V224	F145-I220 HydrophobicContact CD1-CG2 4.24Å; F145-I220 HydrophobicContact CE1-CD1 4.31Å; F145-I220 HydrophobicContact CE1-CG2 3.65Å; F145-I220 HydrophobicContact CZ-CD1 4.49Å; F145-I220 HydrophobicContact CZ-CG2 4.25Å; F166-I220 HydrophobicContact CB-CG2 4.01Å; F166-I220 HydrophobicContact CD1-CG1 3.85Å; F166-I220 HydrophobicContact CD2-CD1 4.38Å; F166-I220 HydrophobicContact CD2-CG1 4.17Å; F166-I220 HydrophobicContact CD2-CG2 3.88Å; F166-I220 HydrophobicContact CE1-CD1 4.24Å; F166-I220 HydrophobicContact CE1-CG1 3.95Å; F166-I220 HydrophobicContact CE2-CD1 4.05Å; F166-I220 HydrophobicContact CE2-CG1 4.26Å; F166-I220 HydrophobicContact CG-CB 4.38Å; F166-I220 HydrophobicContact CG-CG1 3.97Å; F166-I220 HydrophobicContact CG-CG2 3.96Å; F166-I220 HydrophobicContact CZ-CD1 3.98Å; F166-I220 HydrophobicContact CZ-CG1 4.16Å; A169-I220 HydrophobicContact CB-CB 4.46Å; A169-I220 HydrophobicContact CB-CG2 3.94Å; D218-I220 VanDerWaalsContact C-N 3.31Å; D218-I220 PolarHBondContact O-N 2.91Å; D218-I220 WeakPolarHBondContact OD2-CA 3.39Å; D218-I220 WeakPolarHBondContact OD2-CB 3.47Å; D218-I220 PolarHBondContact OD2-N 3.12Å; I220-S222 VanDerWaalsContact C-N 3.28Å; I220-S222 PolarHBondContact O-N 3.24Å; I220-M223 PolarHBondContact O-N 3.14Å; I220-M223 VanDerWaalsContact O-N 3.13Å; I220-V224 HydrophobicContact CG2-CG2 4.34Å; I220-V224 WeakPolarHBondContact O-CB 3.25Å; I220-V224 WeakPolarHBondContact O-CG2 3.27Å; I220-V224 PolarHBondContact O-N 3.11Å
221	S	87.4	Confident	86.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-40.5	172.9	-63.8	0	0	0	0	111.8	A169 L213 M216 D218 G225	A169-S221 WeakPolarHBondContact CA-OG 3.17Å; A169-S221 WeakPolarHBondContact CB-OG 3.42Å; L213-S221 WeakPolarHBondContact O-CB 3.45Å; M216-S221 WeakPolarHBondContact CB-OG 3.46Å; D218-S221 PolarHBondContact O-N 2.82Å; D218-S221 VanDerWaalsContact OD1-CB 3.25Å; D218-S221 WeakPolarHBondContact OD1-CB 3.35Å; D218-S221 PolarHBondContact OD1-OG 2.93Å; D218-S221 PolarHBondContact OD2-N 3.33Å; S221-G225 PolarHBondContact O-N 2.8Å
222	S	85.1	Confident	85.5	Confident	26 Å²	26	38.6 Å²	38.6	18%	0.182	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-43.2	172.9	-59.6	0	0	0	0	112.9	D218 I220 Y226	D218-S222 PolarHBondContact O-N 3.41Å; D218-S222 PolarHBondContact O-OG 2.96Å; I220-S222 VanDerWaalsContact C-N 3.28Å; I220-S222 PolarHBondContact O-N 3.24Å; S222-Y226 VanDerWaalsContact O-CB 3.28Å; S222-Y226 WeakPolarHBondContact O-CB 3.27Å; S222-Y226 PolarHBondContact O-N 2.89Å
223	M	85.1	Confident	84.8	Confident	43 Å²	43	43.6 Å²	43.6	21%	0.212	24%	0.242	C	C	.	.	H	α-helix	trans	-70	-39.4	-179.9	-171.7	-179.4	-68.7	0	0	112.5	F145 S219 I220 S227 F303	F145-M223 HydrophobicContact CE2-CG 4.13Å; F145-M223 HydrophobicContact CE2-SD 3.75Å; F145-M223 HydrophobicContact CZ-CG 4.36Å; F145-M223 HydrophobicContact CZ-SD 3.64Å; S219-M223 VanDerWaalsContact O-CB 3.26Å; S219-M223 WeakPolarHBondContact O-CB 3.3Å; S219-M223 PolarHBondContact O-N 3.5Å; I220-M223 PolarHBondContact O-N 3.14Å; I220-M223 VanDerWaalsContact O-N 3.13Å; M223-S227 VanDerWaalsContact O-CB 3.25Å; M223-S227 WeakPolarHBondContact O-CB 3.4Å; M223-S227 PolarHBondContact O-N 2.96Å; M223-S227 PolarHBondContact O-OG 3.49Å; M223-F303 HydrophobicContact CE-CD1 3.94Å; M223-F303 HydrophobicContact CE-CE1 4.37Å; M223-F303 HydrophobicContact SD-CD1 3.43Å; M223-F303 WeakPolarHBondContact SD-CD1 3.48Å; M223-F303 HydrophobicContact SD-CE1 3.28Å; M223-F303 WeakPolarHBondContact SD-CE1 3.32Å; M223-F303 HydrophobicContact SD-CG 4.48Å; M223-F303 HydrophobicContact SD-CZ 4.23Å
224	V	88.5	Confident	84.3	Confident	12 Å²	12	43.8 Å²	43.8	7%	0.073	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-47	173.4	170	0	0	0	0	110.3	F145 C151 F209 L213 I220 S227 F228	F145-V224 HydrophobicContact CD1-CG2 4.45Å; F145-V224 HydrophobicContact CD2-CG2 4.22Å; F145-V224 HydrophobicContact CE2-CG2 4.48Å; F145-V224 HydrophobicContact CG-CG2 4.21Å; C151-V224 HydrophobicContact CB-CG2 4.5Å; F209-V224 HydrophobicContact CZ-CG1 4.03Å; L213-V224 HydrophobicContact CD1-CG1 4.11Å; L213-V224 HydrophobicContact CD2-CB 4.44Å; L213-V224 HydrophobicContact CD2-CG1 4.2Å; I220-V224 HydrophobicContact CG2-CG2 4.34Å; I220-V224 WeakPolarHBondContact O-CB 3.25Å; I220-V224 WeakPolarHBondContact O-CG2 3.27Å; I220-V224 PolarHBondContact O-N 3.11Å; V224-S227 PolarHBondContact O-N 3.16Å; V224-F228 PolarHBondContact O-N 3.15Å
225	G	86.9	Confident	83.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-50.7	177.3	0	0	0	0	0	112.6	S221 S227 F228 F229	S221-G225 PolarHBondContact O-N 2.8Å; G225-S227 VanDerWaalsContact C-N 3.28Å; G225-S227 PolarHBondContact O-N 3.07Å; G225-F228 PolarHBondContact O-N 3.15Å; G225-F229 VanDerWaalsContact O-CD2 3.3Å; G225-F229 WeakPolarHBondContact O-CD2 3.18Å; G225-F229 PolarHBondContact O-N 3.39Å
226	Y	83.3	Confident	83.8	Confident	63 Å²	63	38.7 Å²	38.7	25%	0.247	20%	0.203	C	C	.	.	I	π-helix	trans	-59.1	-39.5	175.6	-170	-89	0	0	0	111.9	S222 N230 I231 T276	S222-Y226 VanDerWaalsContact O-CB 3.28Å; S222-Y226 WeakPolarHBondContact O-CB 3.27Å; S222-Y226 PolarHBondContact O-N 2.89Å; Y226-N230 HydrophobicContact CD1-CB 4.41Å; Y226-N230 HydrophobicContact CD2-CB 3.98Å; Y226-N230 WeakPolarHBondContact CD2-ND2 3.29Å; Y226-N230 HydrophobicContact CE1-CB 4.41Å; Y226-N230 HydrophobicContact CE2-CB 3.98Å; Y226-N230 WeakPolarHBondContact CE2-ND2 3.27Å; Y226-N230 HydrophobicContact CG-CB 4.19Å; Y226-N230 WeakPolarHBondContact O-CA 3.48Å; Y226-N230 VanDerWaalsContact O-CB 3.27Å; Y226-N230 WeakPolarHBondContact O-CB 3.2Å; Y226-N230 PolarHBondContact O-N 3.07Å; Y226-I231 HydrophobicContact CD1-CD1 3.82Å; Y226-I231 HydrophobicContact CD1-CG1 3.8Å; Y226-I231 HydrophobicContact CE1-CD1 3.86Å; Y226-I231 HydrophobicContact CE1-CG1 3.68Å; Y226-I231 PolarHBondContact O-N 3.48Å; Y226-T276 HydrophobicContact CE2-CG2 3.97Å
227	S	81.3	Confident	83.7	Confident	13 Å²	13	36.6 Å²	36.6	9%	0.091	19%	0.192	C	C	.	.	I	π-helix	trans	-64.4	-46.1	177	-62.1	0	0	0	0	112.6	M223 V224 G225 L232	M223-S227 VanDerWaalsContact O-CB 3.25Å; M223-S227 WeakPolarHBondContact O-CB 3.4Å; M223-S227 PolarHBondContact O-N 2.96Å; M223-S227 PolarHBondContact O-OG 3.49Å; V224-S227 PolarHBondContact O-N 3.16Å; G225-S227 VanDerWaalsContact C-N 3.28Å; G225-S227 PolarHBondContact O-N 3.07Å; S227-L232 WeakPolarHBondContact O-CB 3.41Å; S227-L232 WeakPolarHBondContact O-CG 3.39Å; S227-L232 PolarHBondContact O-N 3.09Å
228	F	87	Confident	83.9	Confident	32 Å²	32	33.4 Å²	33.4	14%	0.14	17%	0.173	C	C	.	.	I	π-helix	trans	-70.6	-53.1	-178	-174.2	-85.1	0	0	0	112.2	H176 F209 V224 G225 K233 V234	H176-F228 AromaticContact CE1-CE2 3.65Å; H176-F228 AromaticContact CE1-CZ 3.56Å; H176-F228 AromaticContact NE2-CZ 3.95Å; F209-F228 HydrophobicContact CD1-CD1 4.38Å; F209-F228 HydrophobicContact CD1-CE1 4.39Å; F209-F228 HydrophobicContact CE1-CB 4.27Å; F209-F228 HydrophobicContact CE1-CD1 4.15Å; F209-F228 AromaticContact CE1-CD2 3.9Å; F209-F228 HydrophobicContact CE1-CD2 3.9Å; F209-F228 HydrophobicContact CE1-CE1 4.46Å; F209-F228 HydrophobicContact CE1-CE2 4.22Å; F209-F228 AromaticContact CE1-CG 3.85Å; F209-F228 HydrophobicContact CE1-CG 3.85Å; F209-F228 HydrophobicContact CE1-CZ 4.5Å; V224-F228 PolarHBondContact O-N 3.15Å; G225-F228 PolarHBondContact O-N 3.15Å; F228-K233 PolarHBondContact O-N 3.43Å; F228-K233 VanDerWaalsContact O-N 3.16Å; F228-V234 HydrophobicContact CD1-CB 4.3Å; F228-V234 HydrophobicContact CD1-CG2 4.42Å; F228-V234 HydrophobicContact CD2-CG2 4.02Å; F228-V234 HydrophobicContact CE1-CB 3.8Å; F228-V234 HydrophobicContact CE1-CG1 4.2Å; F228-V234 HydrophobicContact CE1-CG2 4.28Å; F228-V234 HydrophobicContact CE2-CB 4.09Å; F228-V234 HydrophobicContact CE2-CG1 4.14Å; F228-V234 HydrophobicContact CE2-CG2 3.86Å; F228-V234 HydrophobicContact CG-CG2 4.3Å; F228-V234 HydrophobicContact CZ-CB 3.69Å; F228-V234 HydrophobicContact CZ-CG1 3.67Å; F228-V234 HydrophobicContact CZ-CG2 4Å; F228-V234 PolarHBondContact O-N 3.34Å
229	F	85.8	Confident	83.9	Confident	6 Å²	6	34 Å²	34	3%	0.026	18%	0.175	C	C	.	.	I	π-helix	trans	-85.7	-39.9	-170.9	-65	-73.7	0	0	0	113.1	D206 F209 R210 G225 S272 F274	D206-F229 HydrophobicContact CB-CE1 4.38Å; D206-F229 WeakPolarHBondContact O-CZ 3.07Å; F209-F229 HydrophobicContact CD1-CE2 4Å; F209-F229 AromaticContact CD1-CZ 3.85Å; F209-F229 HydrophobicContact CD1-CZ 3.85Å; F209-F229 HydrophobicContact CE1-CE2 4.31Å; R210-F229 HydrophobicContact CB-CE1 4.3Å; R210-F229 HydrophobicContact CB-CE2 3.83Å; R210-F229 HydrophobicContact CB-CZ 3.63Å; R210-F229 HydrophobicContact CG-CE2 4.16Å; R210-F229 HydrophobicContact CG-CZ 4.3Å; G225-F229 VanDerWaalsContact O-CD2 3.3Å; G225-F229 WeakPolarHBondContact O-CD2 3.18Å; G225-F229 PolarHBondContact O-N 3.39Å; F229-S272 CarbonylContact C-O 3.57Å; F229-S272 WeakPolarHBondContact CB-O 3.46Å; F229-F274 HydrophobicContact CB-CB 4.17Å; F229-F274 HydrophobicContact CD2-CB 4.42Å; F229-F274 AromaticContact CD2-CD2 3.65Å; F229-F274 HydrophobicContact CD2-CD2 3.65Å; F229-F274 HydrophobicContact CD2-CE2 4.42Å; F229-F274 HydrophobicContact CD2-CG 4.41Å; F229-F274 HydrophobicContact CE2-CD2 4.14Å
230	N	80.2	Confident	83.6	Confident	32 Å²	32	34.3 Å²	34.3	17%	0.171	17%	0.168	C	C	.	.	I	π-helix	trans	-96.8	-41.3	-172.1	-59.1	13.9	0	0	0	113.1	Y226 K233 S272 F274	Y226-N230 HydrophobicContact CD1-CB 4.41Å; Y226-N230 HydrophobicContact CD2-CB 3.98Å; Y226-N230 WeakPolarHBondContact CD2-ND2 3.29Å; Y226-N230 HydrophobicContact CE1-CB 4.41Å; Y226-N230 HydrophobicContact CE2-CB 3.98Å; Y226-N230 WeakPolarHBondContact CE2-ND2 3.27Å; Y226-N230 HydrophobicContact CG-CB 4.19Å; Y226-N230 WeakPolarHBondContact O-CA 3.48Å; Y226-N230 VanDerWaalsContact O-CB 3.27Å; Y226-N230 WeakPolarHBondContact O-CB 3.2Å; Y226-N230 PolarHBondContact O-N 3.07Å; N230-K233 WeakPolarHBondContact O-CE 3.49Å; N230-K233 WeakPolarHBondContact O-CG 3.42Å; N230-S272 PolarHBondContact OD1-O 3.1Å; N230-F274 PolarHBondContact ND2-O 2.81Å; N230-F274 WeakPolarHBondContact OD1-CB 3.14Å; N230-F274 PolarHBondContact OD1-N 3.48Å
231	I	77.7	Confident	83.1	Confident	47 Å²	47	39.8 Å²	39.8	24%	0.241	19%	0.193	C	C	.	.	I	π-helix	trans	-84.4	-60	-179.2	-56.1	-179.9	0	0	0	111.1	Y226 F308	Y226-I231 HydrophobicContact CD1-CD1 3.82Å; Y226-I231 HydrophobicContact CD1-CG1 3.8Å; Y226-I231 HydrophobicContact CE1-CD1 3.86Å; Y226-I231 HydrophobicContact CE1-CG1 3.68Å; Y226-I231 PolarHBondContact O-N 3.48Å; I231-F308 HydrophobicContact CD1-CE2 4.5Å
232	L	76.6	Confident	81.9	Confident	64 Å²	64	43.5 Å²	43.5	34%	0.335	21%	0.212	S	C	.	.	S	Bend	trans	-75.8	-25.6	-176.5	-67.1	174.4	0	0	0	112.9	F197 S227 V234	F197-L232 HydrophobicContact CZ-CD2 4.34Å; S227-L232 WeakPolarHBondContact O-CB 3.41Å; S227-L232 WeakPolarHBondContact O-CG 3.39Å; S227-L232 PolarHBondContact O-N 3.09Å; L232-V234 VanDerWaalsContact C-N 3.26Å; L232-V234 HydrophobicContact CB-CG2 4Å; L232-V234 PolarHBondContact O-N 3.31Å
233	K	81.7	Confident	81.4	Confident	132 Å²	132	49.7 Å²	49.7	57%	0.574	24%	0.236	S	C	*	.			trans	48.6	48.2	179.9	-58.8	-171.9	178.2	-174.4	0	112	F228 N230 P235	F228-K233 PolarHBondContact O-N 3.43Å; F228-K233 VanDerWaalsContact O-N 3.16Å; N230-K233 WeakPolarHBondContact O-CE 3.49Å; N230-K233 WeakPolarHBondContact O-CG 3.42Å; K233-P235 WeakPolarHBondContact O-CD 3.33Å
234	V	83.2	Confident	80.6	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.042	25%	0.248	C	C	.	.			trans	-56.6	123.1	179.3	-179.4	0	0	0	0	108.7	F198 F228 L232	F198-V234 HydrophobicContact CD2-CB 4.49Å; F198-V234 HydrophobicContact CD2-CG1 3.93Å; F198-V234 HydrophobicContact CD2-CG2 4.04Å; F198-V234 HydrophobicContact CE2-CB 4.19Å; F198-V234 HydrophobicContact CE2-CG1 3.89Å; F198-V234 HydrophobicContact CE2-CG2 3.96Å; F198-V234 HydrophobicContact CG-CG2 4.37Å; F198-V234 HydrophobicContact CZ-CG2 4.19Å; F228-V234 HydrophobicContact CD1-CB 4.3Å; F228-V234 HydrophobicContact CD1-CG2 4.42Å; F228-V234 HydrophobicContact CD2-CG2 4.02Å; F228-V234 HydrophobicContact CE1-CB 3.8Å; F228-V234 HydrophobicContact CE1-CG1 4.2Å; F228-V234 HydrophobicContact CE1-CG2 4.28Å; F228-V234 HydrophobicContact CE2-CB 4.09Å; F228-V234 HydrophobicContact CE2-CG1 4.14Å; F228-V234 HydrophobicContact CE2-CG2 3.86Å; F228-V234 HydrophobicContact CG-CG2 4.3Å; F228-V234 HydrophobicContact CZ-CB 3.69Å; F228-V234 HydrophobicContact CZ-CG1 3.67Å; F228-V234 HydrophobicContact CZ-CG2 4Å; F228-V234 PolarHBondContact O-N 3.34Å; L232-V234 VanDerWaalsContact C-N 3.26Å; L232-V234 HydrophobicContact CB-CG2 4Å; L232-V234 PolarHBondContact O-N 3.31Å
235	P	84.1	Confident	80	Confident	21 Å²	21	53.6 Å²	53.6	14%	0.136	26%	0.256	C	S	.	.			trans	-82.2	148.5	175.2	33.8	-31.4	0	0	0	109.8	V200 K233 L266 H267	V200-P235 WeakPolarHBondContact CG1-O 3.4Å; V200-P235 HydrophobicContact CG2-CG 4.1Å; K233-P235 WeakPolarHBondContact O-CD 3.33Å; P235-L266 HydrophobicContact CB-CD2 4.2Å; P235-L266 HydrophobicContact CG-CD2 4.17Å; P235-H267 WeakPolarHBondContact CA-O 3.32Å
236	C	88.6	Confident	79.7	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.02	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	175.9	174.6	68.5	0	0	0	0	110.8	S201 C203 D206 H267	S201-C236 VanDerWaalsContact O-CA 3.32Å; S201-C236 WeakPolarHBondContact O-CA 3.47Å; S201-C236 WeakPolarHBondContact O-CB 3.4Å; C203-C236 WeakPolarHBondContact CA-SG 3.34Å; C203-C236 HydrophobicContact CB-CB 3.84Å; C203-C236 WeakPolarHBondContact CB-SG 3.24Å; C203-C236 WeakPolarHBondContact SG-CB 3.11Å; C203-C236 CovalentContact SG-SG 2.04Å; C203-C236 PolarHBondContact SG-SG 2.82Å; D206-C236 HydrophobicContact CB-CB 4.29Å; D206-C236 WeakPolarHBondContact OD2-CB 3.39Å; C236-H267 PolarHBondContact N-O 3.11Å; C236-H267 VanDerWaalsContact N-O 3.1Å; C236-H267 PolarHBondContact O-N 2.77Å
237	F	87.4	Confident	79.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	157.5	171.7	69.5	-84	0	0	0	114.3	D181 I183 Y190 V200 S201 H202 C203 L239 P264 T265	D181-F237 HydrophobicContact CB-CE2 4.38Å; D181-F237 HydrophobicContact CB-CZ 4.07Å; D181-F237 WeakPolarHBondContact O-CE1 3.25Å; D181-F237 VanDerWaalsContact O-CZ 3.22Å; D181-F237 WeakPolarHBondContact O-CZ 3.42Å; I183-F237 HydrophobicContact CD1-CD1 4.26Å; I183-F237 HydrophobicContact CD1-CE1 4.26Å; I183-F237 HydrophobicContact CG1-CD1 4.22Å; I183-F237 HydrophobicContact CG1-CE1 3.77Å; I183-F237 HydrophobicContact CG1-CZ 4.08Å; Y190-F237 HydrophobicContact CD2-CE2 4.1Å; Y190-F237 HydrophobicContact CD2-CZ 4.17Å; Y190-F237 HydrophobicContact CE2-CE2 4.07Å; Y190-F237 AromaticContact CE2-CZ 3.85Å; Y190-F237 HydrophobicContact CE2-CZ 3.85Å; V200-F237 HydrophobicContact CG1-CD1 3.76Å; V200-F237 HydrophobicContact CG1-CE1 4.39Å; S201-F237 VanDerWaalsContact C-CD1 3.49Å; S201-F237 WeakPolarHBondContact O-CD1 3.02Å; S201-F237 PolarHBondContact O-N 3.02Å; H202-F237 CarbonylContact C-O 3.58Å; H202-F237 WeakPolarHBondContact CA-O 2.98Å; H202-F237 PolarHBondContact CD2-O 3.29Å; C203-F237 PolarHBondContact N-O 3.32Å; C203-F237 PolarHBondContact SG-N 3.3Å; C203-F237 VanDerWaalsContact SG-N 3.38Å; C203-F237 PolarHBondContact SG-O 2.82Å; F237-L239 HydrophobicContact CD2-CD2 4.04Å; F237-L239 HydrophobicContact CD2-CG 4.24Å; F237-L239 HydrophobicContact CE2-CD2 3.71Å; F237-L239 HydrophobicContact CE2-CG 3.86Å; F237-P264 HydrophobicContact CB-CB 3.69Å; F237-P264 HydrophobicContact CD2-CB 3.47Å; F237-P264 VanDerWaalsContact CD2-CB 3.47Å; F237-P264 HydrophobicContact CE2-CB 4.31Å; F237-P264 HydrophobicContact CG-CB 3.8Å; F237-T265 WeakPolarHBondContact CA-O 3.22Å
238	E	85.9	Confident	79.5	Confident	77 Å²	77	64 Å²	64	36%	0.36	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.6	168.9	-62	177.3	159.5	0	0	109.4	C203 K240 P264 T265 H267	C203-E238 HydrophobicContact CB-CG 4.37Å; E238-K240 VanDerWaalsContact OE2-CE 3.3Å; E238-K240 WeakPolarHBondContact OE2-CE 3.5Å; E238-K240 IonicContact OE2-NZ 2.97Å; E238-K240 PolarHBondContact OE2-NZ 3.49Å; E238-P264 WeakPolarHBondContact O-CA 3.47Å; E238-T265 PolarHBondContact O-N 3.09Å; E238-H267 IonicContact OE2-NE2 3.28Å; E238-H267 PolarHBondContact OE2-NE2 3.28Å
239	L	81.2	Confident	79	Confident	36 Å²	36	66.9 Å²	66.9	19%	0.188	32%	0.323	C	S	.	.			trans	-80.1	127.6	170.9	-68.1	178.3	0	0	0	110.9	D181 Y190 H202 F237 M261 P264	D181-L239 HydrophobicContact CB-CD1 4.42Å; Y190-L239 HydrophobicContact CD1-CD1 4.18Å; Y190-L239 HydrophobicContact CD1-CD2 3.55Å; Y190-L239 HydrophobicContact CD2-CD2 4.18Å; Y190-L239 HydrophobicContact CE1-CD1 3.86Å; Y190-L239 HydrophobicContact CE1-CD2 4.04Å; Y190-L239 HydrophobicContact CG-CD2 3.64Å; H202-L239 PolarHBondContact NE2-N 3.24Å; F237-L239 HydrophobicContact CD2-CD2 4.04Å; F237-L239 HydrophobicContact CD2-CG 4.24Å; F237-L239 HydrophobicContact CE2-CD2 3.71Å; F237-L239 HydrophobicContact CE2-CG 3.86Å; L239-M261 HydrophobicContact CB-SD 4.41Å; L239-M261 HydrophobicContact CD1-CE 4.27Å; L239-M261 HydrophobicContact CD1-SD 4.07Å; L239-P264 HydrophobicContact CD2-CB 4.46Å
240	K	75.1	Confident	78.6	Confident	81 Å²	81	77.8 Å²	77.8	35%	0.352	36%	0.364	S	S	.	.			trans	-111.3	133.2	175.9	-73	166.7	-175.1	156.3	0	109.3	E238 V262 T265	E238-K240 VanDerWaalsContact OE2-CE 3.3Å; E238-K240 WeakPolarHBondContact OE2-CE 3.5Å; E238-K240 IonicContact OE2-NZ 2.97Å; E238-K240 PolarHBondContact OE2-NZ 3.49Å; K240-V262 PolarHBondContact O-N 3.36Å; K240-T265 PolarHBondContact NZ-OG1 3.35Å; K240-T265 VanDerWaalsContact NZ-OG1 3.07Å
241	Q	72	Confident	78.7	Confident	140 Å²	140	83.4 Å²	83.4	65%	0.654	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	127.6	174.6	-68.4	-178	-7.7	0	0	109.1	M261	Q241-M261 HydrophobicContact CG-CG 4.35Å
242	L	64.1	Low	78.6	Confident	78 Å²	78	83.2 Å²	83.2	41%	0.408	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.8	176.8	-75.2	169.9	0	0	0	110.9	H244 I260 V262 F263	L242-H244 PolarHBondContact O-N 3.44Å; L242-H244 VanDerWaalsContact O-N 3.09Å; L242-I260 PolarHBondContact N-O 2.98Å; L242-I260 PolarHBondContact O-N 3.09Å; L242-V262 HydrophobicContact CB-CG2 4.4Å; L242-F263 HydrophobicContact CD1-CB 4.13Å; L242-F263 HydrophobicContact CD1-CD2 3.57Å; L242-F263 HydrophobicContact CD1-CE2 4.38Å; L242-F263 HydrophobicContact CD1-CG 4.18Å
243	K	73.5	Confident	79	Confident	157 Å²	157	85.1 Å²	85.1	68%	0.683	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	96.2	174.7	-77.1	179.7	177.6	179.6	0	109.2	V257 E259	K243-V257 HydrophobicContact CB-CG1 3.69Å; K243-V257 HydrophobicContact CG-CG1 4.08Å; K243-E259 WeakPolarHBondContact CE-OE1 3.05Å; K243-E259 HydrophobicContact CG-CG 3.74Å; K243-E259 IonicContact NZ-OE1 2.97Å; K243-E259 PolarHBondContact NZ-OE1 2.95Å
244	H	69.2	Low	79.1	Confident	99 Å²	99	81 Å²	81	46%	0.458	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138	-178.2	-167.2	-80.3	0	0	0	110.7	L242 T246 K258 I260	L242-H244 PolarHBondContact O-N 3.44Å; L242-H244 VanDerWaalsContact O-N 3.09Å; H244-T246 PolarHBondContact O-N 2.75Å; H244-K258 PolarHBondContact N-O 3.34Å; H244-K258 PolarHBondContact O-N 2.81Å; H244-I260 HydrophobicContact CB-CB 4.46Å; H244-I260 HydrophobicContact CB-CD1 3.79Å; H244-I260 HydrophobicContact CB-CG1 4.11Å
245	C	75.8	Confident	79.1	Confident	38 Å²	38	84.1 Å²	84.1	26%	0.257	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	118.7	174	-165.4	0	0	0	0	110.5	Q247 M248 C254	C245-Q247 PolarHBondContact SG-O 2.75Å; C245-M248 WeakPolarHBondContact SG-CG 3.33Å; C245-C254 WeakPolarHBondContact CA-SG 3.27Å; C245-C254 HydrophobicContact CB-CB 3.98Å; C245-C254 WeakPolarHBondContact CB-SG 3.33Å; C245-C254 WeakPolarHBondContact SG-CA 3.29Å; C245-C254 WeakPolarHBondContact SG-CB 3.43Å; C245-C254 CovalentContact SG-SG 2.03Å; C245-C254 PolarHBondContact SG-SG 2.8Å
246	T	79.8	Confident	78.8	Confident	67 Å²	67	85.1 Å²	85.1	41%	0.411	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-21.3	179.4	60.2	0	0	0	0	113.4	H244 T256 K258 I260	H244-T246 PolarHBondContact O-N 2.75Å; T246-T256 PolarHBondContact N-O 3.08Å; T246-T256 PolarHBondContact OG1-O 2.85Å; T246-K258 HydrophobicContact CG2-CB 3.79Å; T246-K258 HydrophobicContact CG2-CD 3.96Å; T246-K258 HydrophobicContact CG2-CG 3.77Å; T246-I260 HydrophobicContact CG2-CD1 4.07Å
247	Q	76.8	Confident	78.3	Confident	107 Å²	107	89 Å²	89	50%	0.5	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	134.9	177.6	-169.7	175.9	3.8	0	0	108.7	C245 L255 T256	C245-Q247 PolarHBondContact SG-O 2.75Å; Q247-L255 HydrophobicContact CB-CB 4.43Å; Q247-L255 HydrophobicContact CG-CB 4.34Å; Q247-L255 HydrophobicContact CG-CD1 4.49Å; Q247-L255 WeakPolarHBondContact O-CA 3.3Å; Q247-L255 WeakPolarHBondContact O-CB 3.36Å; Q247-L255 PolarHBondContact O-N 2.84Å; Q247-T256 PolarHBondContact N-O 2.58Å; Q247-T256 PolarHBondContact O-N 2.95Å; Q247-T256 VanDerWaalsContact O-N 3.08Å; Q247-T256 PolarHBondContact OE1-OG1 2.97Å
248	M	83.5	Confident	77.7	Confident	119 Å²	119	94.8 Å²	94.8	59%	0.586	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.8	179.9	-67.8	169.1	61.4	0	0	110.1	C245 G252 I253	C245-M248 WeakPolarHBondContact SG-CG 3.33Å; M248-G252 WeakPolarHBondContact CE-O 3.31Å; M248-I253 CarbonylContact C-O 3.57Å; M248-I253 WeakPolarHBondContact CA-O 3.31Å
249	Y	77.4	Confident	76.8	Confident	94 Å²	94	96.8 Å²	96.8	37%	0.369	47%	0.468	S	S	.	.			trans	-65	154.6	162.1	-67.7	-83.7	0	0	0	110.1	W251 G252 I253 L255	Y249-W251 VanDerWaalsContact CB-CE2 3.46Å; Y249-W251 AromaticContact CD1-CE2 3.88Å; Y249-W251 AromaticContact CD1-CH2 3.57Å; Y249-W251 HydrophobicContact CD1-CH2 3.57Å; Y249-W251 AromaticContact CD1-CZ2 3.27Å; Y249-W251 HydrophobicContact CD1-CZ2 3.27Å; Y249-W251 HydrophobicContact CD1-CZ3 4.38Å; Y249-W251 HydrophobicContact CD2-CZ2 4.17Å; Y249-W251 HydrophobicContact CE1-CH2 4.05Å; Y249-W251 AromaticContact CE1-CZ2 3.78Å; Y249-W251 HydrophobicContact CE1-CZ2 3.78Å; Y249-W251 HydrophobicContact CG-CD2 4.43Å; Y249-W251 AromaticContact CG-CE2 3.63Å; Y249-W251 HydrophobicContact CG-CH2 4.2Å; Y249-W251 AromaticContact CG-CZ2 3.5Å; Y249-W251 HydrophobicContact CG-CZ2 3.5Å; Y249-W251 VanDerWaalsContact CG-CZ2 3.5Å; Y249-W251 AromaticContact CG-NE1 3.85Å; Y249-W251 PolarHBondContact O-N 3.36Å; Y249-G252 WeakPolarHBondContact O-CA 3.34Å; Y249-G252 PolarHBondContact O-N 3.1Å; Y249-I253 HydrophobicContact CD2-CB 4Å; Y249-I253 HydrophobicContact CD2-CG2 4.03Å; Y249-I253 WeakPolarHBondContact CD2-O 3.46Å; Y249-I253 HydrophobicContact CE2-CG2 4.36Å; Y249-I253 PolarHBondContact N-O 2.91Å; Y249-L255 HydrophobicContact CD1-CD1 3.81Å; Y249-L255 HydrophobicContact CD1-CG 4.42Å; Y249-L255 HydrophobicContact CD2-CB 3.83Å; Y249-L255 HydrophobicContact CD2-CD1 4.33Å; Y249-L255 HydrophobicContact CD2-CG 4.18Å; Y249-L255 HydrophobicContact CE1-CD1 3.63Å; Y249-L255 HydrophobicContact CE1-CG 3.99Å; Y249-L255 HydrophobicContact CE2-CB 3.71Å; Y249-L255 HydrophobicContact CE2-CD1 4.18Å; Y249-L255 HydrophobicContact CE2-CG 3.72Å; Y249-L255 HydrophobicContact CG-CB 4.37Å; Y249-L255 HydrophobicContact CG-CD1 4.15Å
250	W	75.9	Confident	75.8	Confident	235 Å²	235	98.2 Å²	98.2	89%	0.89	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.1	178.8	60.9	-79.8	0	0	0	113.5	G252	W250-G252 VanDerWaalsContact C-N 3.33Å
251	W	83.4	Confident	75	Confident	150 Å²	150	99 Å²	99	57%	0.568	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	3.3	170.3	60.2	75.4	0	0	0	114.7	Y249	Y249-W251 VanDerWaalsContact CB-CE2 3.46Å; Y249-W251 AromaticContact CD1-CE2 3.88Å; Y249-W251 AromaticContact CD1-CH2 3.57Å; Y249-W251 HydrophobicContact CD1-CH2 3.57Å; Y249-W251 AromaticContact CD1-CZ2 3.27Å; Y249-W251 HydrophobicContact CD1-CZ2 3.27Å; Y249-W251 HydrophobicContact CD1-CZ3 4.38Å; Y249-W251 HydrophobicContact CD2-CZ2 4.17Å; Y249-W251 HydrophobicContact CE1-CH2 4.05Å; Y249-W251 AromaticContact CE1-CZ2 3.78Å; Y249-W251 HydrophobicContact CE1-CZ2 3.78Å; Y249-W251 HydrophobicContact CG-CD2 4.43Å; Y249-W251 AromaticContact CG-CE2 3.63Å; Y249-W251 HydrophobicContact CG-CH2 4.2Å; Y249-W251 AromaticContact CG-CZ2 3.5Å; Y249-W251 HydrophobicContact CG-CZ2 3.5Å; Y249-W251 VanDerWaalsContact CG-CZ2 3.5Å; Y249-W251 AromaticContact CG-NE1 3.85Å; Y249-W251 PolarHBondContact O-N 3.36Å
252	G	75.7	Confident	74.5	Confident	42 Å²	42	93.9 Å²	93.9	43%	0.433	46%	0.46	S	S	.	.	S	Bend	trans	95	1.2	167.4	0	0	0	0	0	117.5	M248 Y249 W250	M248-G252 WeakPolarHBondContact CE-O 3.31Å; Y249-G252 WeakPolarHBondContact O-CA 3.34Å; Y249-G252 PolarHBondContact O-N 3.1Å; W250-G252 VanDerWaalsContact C-N 3.33Å
253	I	85.7	Confident	74.1	Confident	104 Å²	104	97 Å²	97	53%	0.533	47%	0.47	S	S	.	.			trans	-75.4	149.2	170.4	-68.2	177.9	0	0	0	109.6	M248 Y249	M248-I253 CarbonylContact C-O 3.57Å; M248-I253 WeakPolarHBondContact CA-O 3.31Å; Y249-I253 HydrophobicContact CD2-CB 4Å; Y249-I253 HydrophobicContact CD2-CG2 4.03Å; Y249-I253 WeakPolarHBondContact CD2-O 3.46Å; Y249-I253 HydrophobicContact CE2-CG2 4.36Å; Y249-I253 PolarHBondContact N-O 2.91Å
254	C	82.8	Confident	73.5	Confident	47 Å²	47	89.9 Å²	89.9	32%	0.318	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	130.7	173.8	-165.8	0	0	0	0	111.5	C245 V257	C245-C254 WeakPolarHBondContact CA-SG 3.27Å; C245-C254 HydrophobicContact CB-CB 3.98Å; C245-C254 WeakPolarHBondContact CB-SG 3.33Å; C245-C254 WeakPolarHBondContact SG-CA 3.29Å; C245-C254 WeakPolarHBondContact SG-CB 3.43Å; C245-C254 CovalentContact SG-SG 2.03Å; C245-C254 PolarHBondContact SG-SG 2.8Å; C254-V257 HydrophobicContact CB-CG2 4.39Å; C254-V257 VanDerWaalsContact SG-CG2 3.58Å
255	L	82.8	Confident	73.2	Confident	72 Å²	72	87.9 Å²	87.9	38%	0.377	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-46.2	178.2	-163.8	162.4	0	0	0	110.3	Q247 Y249	Q247-L255 HydrophobicContact CB-CB 4.43Å; Q247-L255 HydrophobicContact CG-CB 4.34Å; Q247-L255 HydrophobicContact CG-CD1 4.49Å; Q247-L255 WeakPolarHBondContact O-CA 3.3Å; Q247-L255 WeakPolarHBondContact O-CB 3.36Å; Q247-L255 PolarHBondContact O-N 2.84Å; Y249-L255 HydrophobicContact CD1-CD1 3.81Å; Y249-L255 HydrophobicContact CD1-CG 4.42Å; Y249-L255 HydrophobicContact CD2-CB 3.83Å; Y249-L255 HydrophobicContact CD2-CD1 4.33Å; Y249-L255 HydrophobicContact CD2-CG 4.18Å; Y249-L255 HydrophobicContact CE1-CD1 3.63Å; Y249-L255 HydrophobicContact CE1-CG 3.99Å; Y249-L255 HydrophobicContact CE2-CB 3.71Å; Y249-L255 HydrophobicContact CE2-CD1 4.18Å; Y249-L255 HydrophobicContact CE2-CG 3.72Å; Y249-L255 HydrophobicContact CG-CB 4.37Å; Y249-L255 HydrophobicContact CG-CD1 4.15Å
256	T	78.9	Confident	72.7	Confident	41 Å²	41	89.9 Å²	89.9	25%	0.252	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	102.7	-178.2	-49.9	0	0	0	0	110.9	T246 Q247 K258	T246-T256 PolarHBondContact N-O 3.08Å; T246-T256 PolarHBondContact OG1-O 2.85Å; Q247-T256 PolarHBondContact N-O 2.58Å; Q247-T256 PolarHBondContact O-N 2.95Å; Q247-T256 VanDerWaalsContact O-N 3.08Å; Q247-T256 PolarHBondContact OE1-OG1 2.97Å; T256-K258 HydrophobicContact CG2-CG 4.39Å
257	V	78.2	Confident	72	Confident	84 Å²	84	89.3 Å²	89.3	51%	0.509	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	135.4	168.2	179	0	0	0	0	109.1	K243 C254	K243-V257 HydrophobicContact CB-CG1 3.69Å; K243-V257 HydrophobicContact CG-CG1 4.08Å; C254-V257 HydrophobicContact CB-CG2 4.39Å; C254-V257 VanDerWaalsContact SG-CG2 3.58Å
258	K	73.6	Confident	71.1	Confident	122 Å²	122	89.7 Å²	89.7	53%	0.53	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	147	164.3	-59.2	-169.2	-171.8	-174	0	109.5	H244 T246 T256 I260	H244-K258 PolarHBondContact N-O 3.34Å; H244-K258 PolarHBondContact O-N 2.81Å; T246-K258 HydrophobicContact CG2-CB 3.79Å; T246-K258 HydrophobicContact CG2-CD 3.96Å; T246-K258 HydrophobicContact CG2-CG 3.77Å; T256-K258 HydrophobicContact CG2-CG 4.39Å; K258-I260 HydrophobicContact CB-CG1 4.4Å
259	E	66.9	Low	69.8	Low	119 Å²	119	85 Å²	85	56%	0.556	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	124.5	169.1	-71.9	169.9	171.8	0	0	108.3	K243	K243-E259 WeakPolarHBondContact CE-OE1 3.05Å; K243-E259 HydrophobicContact CG-CG 3.74Å; K243-E259 IonicContact NZ-OE1 2.97Å; K243-E259 PolarHBondContact NZ-OE1 2.95Å
260	I	60.2	Low	68.3	Low	66 Å²	66	88 Å²	88	34%	0.338	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.9	-178.7	-50.8	-177.5	0	0	0	108	L242 H244 T246 K258 V262	L242-I260 PolarHBondContact N-O 2.98Å; L242-I260 PolarHBondContact O-N 3.09Å; H244-I260 HydrophobicContact CB-CB 4.46Å; H244-I260 HydrophobicContact CB-CD1 3.79Å; H244-I260 HydrophobicContact CB-CG1 4.11Å; T246-I260 HydrophobicContact CG2-CD1 4.07Å; K258-I260 HydrophobicContact CB-CG1 4.4Å; I260-V262 HydrophobicContact CB-CG2 4.18Å; I260-V262 HydrophobicContact CG2-CG1 4.3Å; I260-V262 HydrophobicContact CG2-CG2 4.16Å; I260-V262 PolarHBondContact O-N 3.49Å
261	M	58.1	Low	67.3	Low	97 Å²	97	85.5 Å²	85.5	48%	0.478	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	104.8	170.6	-62	-168.7	-63.4	0	0	109.3	L239 Q241	L239-M261 HydrophobicContact CB-SD 4.41Å; L239-M261 HydrophobicContact CD1-CE 4.27Å; L239-M261 HydrophobicContact CD1-SD 4.07Å; Q241-M261 HydrophobicContact CG-CG 4.35Å
262	V	61.4	Low	65.9	Low	33 Å²	33	80 Å²	80	20%	0.2	42%	0.423	C	S	.	.			trans	-150	160.6	179.8	-93.6	0	0	0	0	109.6	K240 L242 I260	K240-V262 PolarHBondContact O-N 3.36Å; L242-V262 HydrophobicContact CB-CG2 4.4Å; I260-V262 HydrophobicContact CB-CG2 4.18Å; I260-V262 HydrophobicContact CG2-CG1 4.3Å; I260-V262 HydrophobicContact CG2-CG2 4.16Å; I260-V262 PolarHBondContact O-N 3.49Å
263	F	56	Low	65.3	Low	143 Å²	143	84.1 Å²	84.1	63%	0.627	43%	0.434	S	S	*	.			trans	63.3	64.7	-171.3	-60.9	-94.1	0	0	0	113.5	Y190 L242 T265	Y190-F263 PolarHBondContact O-N 2.73Å; L242-F263 HydrophobicContact CD1-CB 4.13Å; L242-F263 HydrophobicContact CD1-CD2 3.57Å; L242-F263 HydrophobicContact CD1-CE2 4.38Å; L242-F263 HydrophobicContact CD1-CG 4.18Å; F263-T265 PolarHBondContact O-N 2.96Å; F263-T265 VanDerWaalsContact O-N 3.09Å
264	P	61.2	Low	64.9	Low	9 Å²	9	79.3 Å²	79.3	6%	0.058	41%	0.409	C	S	.	.			trans	-52.9	118.5	159.8	25.7	-34.9	0	0	0	109.5	I183 Y190 V192 F237 E238 L239 L266	I183-P264 HydrophobicContact CD1-CG 4.09Å; Y190-P264 VanDerWaalsContact O-CD 3.27Å; Y190-P264 WeakPolarHBondContact O-CD 3.48Å; V192-P264 HydrophobicContact CB-CG 3.62Å; V192-P264 HydrophobicContact CG1-CG 4.3Å; V192-P264 HydrophobicContact CG2-CG 3.6Å; F237-P264 HydrophobicContact CB-CB 3.69Å; F237-P264 HydrophobicContact CD2-CB 3.47Å; F237-P264 VanDerWaalsContact CD2-CB 3.47Å; F237-P264 HydrophobicContact CE2-CB 4.31Å; F237-P264 HydrophobicContact CG-CB 3.8Å; E238-P264 WeakPolarHBondContact O-CA 3.47Å; L239-P264 HydrophobicContact CD2-CB 4.46Å; P264-L266 PolarHBondContact O-N 2.03Å
265	T	64	Low	64.5	Low	57 Å²	57	80 Å²	80	35%	0.35	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	124.5	169.8	-49.8	0	0	0	0	106.8	F237 E238 K240 F263 H267	F237-T265 WeakPolarHBondContact CA-O 3.22Å; E238-T265 PolarHBondContact O-N 3.09Å; K240-T265 PolarHBondContact NZ-OG1 3.35Å; K240-T265 VanDerWaalsContact NZ-OG1 3.07Å; F263-T265 PolarHBondContact O-N 2.96Å; F263-T265 VanDerWaalsContact O-N 3.09Å; T265-H267 WeakPolarHBondContact CB-NE2 3.37Å; T265-H267 VanDerWaalsContact CG2-NE2 3.33Å; T265-H267 WeakPolarHBondContact CG2-NE2 3.39Å; T265-H267 PolarHBondContact O-CD2 2.88Å; T265-H267 VanDerWaalsContact O-CD2 3.29Å; T265-H267 PolarHBondContact O-N 2.89Å
266	L	63.7	Low	63.6	Low	80 Å²	80	81 Å²	81	42%	0.419	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	111.5	173.7	-87.5	163.1	0	0	0	108.8	V200 P235 P264	V200-L266 HydrophobicContact CG1-CD2 4.05Å; P235-L266 HydrophobicContact CB-CD2 4.2Å; P235-L266 HydrophobicContact CG-CD2 4.17Å; P264-L266 PolarHBondContact O-N 2.03Å
267	H	66.2	Low	62.7	Low	54 Å²	54	81.9 Å²	81.9	25%	0.25	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.6	175.1	-72	-99.1	0	0	0	109.3	P235 C236 E238 T265 A269	P235-H267 WeakPolarHBondContact CA-O 3.32Å; C236-H267 PolarHBondContact N-O 3.11Å; C236-H267 VanDerWaalsContact N-O 3.1Å; C236-H267 PolarHBondContact O-N 2.77Å; E238-H267 IonicContact OE2-NE2 3.28Å; E238-H267 PolarHBondContact OE2-NE2 3.28Å; T265-H267 WeakPolarHBondContact CB-NE2 3.37Å; T265-H267 VanDerWaalsContact CG2-NE2 3.33Å; T265-H267 WeakPolarHBondContact CG2-NE2 3.39Å; T265-H267 PolarHBondContact O-CD2 2.88Å; T265-H267 VanDerWaalsContact O-CD2 3.29Å; T265-H267 PolarHBondContact O-N 2.89Å; H267-A269 VanDerWaalsContact C-N 3.34Å; H267-A269 PolarHBondContact O-N 3.26Å; H267-A269 VanDerWaalsContact O-N 3.07Å
268	T	58.6	Low	61.2	Low	116 Å²	116	83.3 Å²	83.3	71%	0.712	44%	0.437	S	S	*	.			trans	-62.1	104.3	147.2	45.2	0	0	0	0	106	L270	T268-L270 PolarHBondContact O-N 2.95Å; T268-L270 VanDerWaalsContact O-N 3.09Å
269	A	55.4	Low	59.7	Low	19 Å²	19	83.9 Å²	83.9	16%	0.157	45%	0.452	C	S	.	.			trans	-58.6	117.5	-171.2	0	0	0	0	0	109.9	H267 Y271 S272	H267-A269 VanDerWaalsContact C-N 3.34Å; H267-A269 PolarHBondContact O-N 3.26Å; H267-A269 VanDerWaalsContact O-N 3.07Å; A269-Y271 PolarHBondContact O-N 3.16Å; A269-S272 WeakPolarHBondContact O-CB 3.01Å; A269-S272 PolarHBondContact O-N 3.48Å; A269-S272 PolarHBondContact O-OG 2.93Å; A269-S272 VanDerWaalsContact O-OG 3.05Å
270	L	46	Very low	58.3	Low	158 Å²	158	84.3 Å²	84.3	83%	0.827	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-6.4	-177.9	-80.3	126.6	0	0	0	113.5	T268	T268-L270 PolarHBondContact O-N 2.95Å; T268-L270 VanDerWaalsContact O-N 3.09Å
271	Y	53.9	Low	57	Low	182 Å²	182	86.5 Å²	86.5	71%	0.714	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	8.2	173.2	-48.5	-70.1	0	0	0	113.2	R210 A269 I273	R210-Y271 PolarHBondContact NE-O 3.2Å; A269-Y271 PolarHBondContact O-N 3.16Å; Y271-I273 PolarHBondContact O-N 3.13Å
272	S	54.6	Low	55.9	Low	34 Å²	34	86.4 Å²	86.4	24%	0.238	47%	0.47	C	S	.	.			trans	-74	16.7	-173.5	75.5	0	0	0	0	115.6	F229 N230 A269 F274	F229-S272 CarbonylContact C-O 3.57Å; F229-S272 WeakPolarHBondContact CB-O 3.46Å; N230-S272 PolarHBondContact OD1-O 3.1Å; A269-S272 WeakPolarHBondContact O-CB 3.01Å; A269-S272 PolarHBondContact O-N 3.48Å; A269-S272 PolarHBondContact O-OG 2.93Å; A269-S272 VanDerWaalsContact O-OG 3.05Å; S272-F274 PolarHBondContact O-N 3.23Å
273	I	63.7	Low	54.6	Low	130 Å²	130	91.5 Å²	91.5	67%	0.667	49%	0.492	S	S	*	.			trans	-90.4	100.2	166.8	-57.9	-179.9	0	0	0	106.8	R210 Y271	R210-I273 PolarHBondContact NE-O 2.95Å; R210-I273 PolarHBondContact NH2-O 3.29Å; Y271-I273 PolarHBondContact O-N 3.13Å
274	F	77.2	Confident	53.4	Low	2 Å²	2	92.5 Å²	92.5	1%	0.009	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-71.4	142.8	158.1	-148	-89.8	0	0	0	108.1	R210 L213 L214 F229 N230 S272	R210-F274 HydrophobicContact CG-CD2 4Å; R210-F274 HydrophobicContact CG-CE2 4.12Å; L213-F274 HydrophobicContact CB-CE2 3.84Å; L213-F274 HydrophobicContact CB-CZ 3.74Å; L213-F274 HydrophobicContact CD1-CE2 4.33Å; L214-F274 HydrophobicContact CD2-CE1 3.88Å; L214-F274 HydrophobicContact CD2-CE2 4.07Å; L214-F274 HydrophobicContact CD2-CZ 3.6Å; L214-F274 HydrophobicContact CG-CE2 3.86Å; L214-F274 HydrophobicContact CG-CZ 3.74Å; F229-F274 HydrophobicContact CB-CB 4.17Å; F229-F274 HydrophobicContact CD2-CB 4.42Å; F229-F274 AromaticContact CD2-CD2 3.65Å; F229-F274 HydrophobicContact CD2-CD2 3.65Å; F229-F274 HydrophobicContact CD2-CE2 4.42Å; F229-F274 HydrophobicContact CD2-CG 4.41Å; F229-F274 HydrophobicContact CE2-CD2 4.14Å; N230-F274 PolarHBondContact ND2-O 2.81Å; N230-F274 WeakPolarHBondContact OD1-CB 3.14Å; N230-F274 PolarHBondContact OD1-N 3.48Å; S272-F274 PolarHBondContact O-N 3.23Å
275	P	74.8	Confident	52.1	Low	63 Å²	63	98 Å²	98	41%	0.409	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-50.8	146.2	170	-27	35.8	0	0	0	111.4	L214	L214-P275 HydrophobicContact CD2-CG 3.82Å
276	T	62.5	Low	50.6	Low	92 Å²	92	102.1 Å²	102.1	56%	0.564	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-55.5	140.8	162.1	38.9	0	0	0	0	108.7	Y226 T278	Y226-T276 HydrophobicContact CE2-CG2 3.97Å; T276-T278 PolarHBondContact O-N 3.01Å
277	P	60.8	Low	49.2	Very low	59 Å²	59	108.1 Å²	108.1	38%	0.383	57%	0.573	S	S	.	*			trans	-62.4	101.4	173.9	25.9	-33.1	0	0	0	108.4	T279	P277-T279 PolarHBondContact O-N 2.85Å
278	T	47.5	Very low	47.6	Very low	114 Å²	114	114.8 Å²	114.8	70%	0.699	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-67.2	130	176.4	45.1	0	0	0	0	108.6	T276 I280	T276-T278 PolarHBondContact O-N 3.01Å; T278-I280 PolarHBondContact O-N 3.36Å
279	T	41.5	Very low	46.6	Very low	135 Å²	135	113.2 Å²	113.2	83%	0.828	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-49.3	132.6	161.6	28.9	0	0	0	0	108.5	P277 N281	P277-T279 PolarHBondContact O-N 2.85Å; T279-N281 PolarHBondContact O-N 2.73Å
280	I	37.8	Very low	45.4	Very low	127 Å²	127	121.5 Å²	121.5	65%	0.651	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-59.9	116.1	-172.7	-61.2	177.6	0	0	0	108.1	T278 N282	T278-I280 PolarHBondContact O-N 3.36Å; I280-N282 PolarHBondContact O-N 3.25Å
281	N	33	Very low	44.5	Very low	112 Å²	112	126 Å²	126	60%	0.599	65%	0.65	S	S	*	*			trans	-72.8	93.8	-175.1	-172.3	14.6	0	0	0	109.2	T279 Q283	T279-N281 PolarHBondContact O-N 2.73Å; N281-Q283 PolarHBondContact ND2-NE2 2.97Å; N281-Q283 PolarHBondContact ND2-OE1 3.42Å; N281-Q283 VanDerWaalsContact ND2-OE1 3.12Å; N281-Q283 PolarHBondContact O-N 2.9Å; N281-Q283 WeakPolarHBondContact OD1-CG 3.33Å
282	N	34.3	Very low	43.3	Very low	96 Å²	96	122 Å²	122	51%	0.513	65%	0.648	S	S	.	*	G	3₁₀ helix	trans	-70.4	26.3	-169.7	-80.4	-21	0	0	0	115.2	I280 N284 L285	I280-N282 PolarHBondContact O-N 3.25Å; N282-N284 PolarHBondContact O-N 3.21Å; N282-L285 PolarHBondContact O-N 3.31Å
283	Q	34.3	Very low	41.9	Very low	140 Å²	140	128.1 Å²	128.1	65%	0.654	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-60	-19	179.6	-75.7	173.6	-8	0	0	113.9	N281	N281-Q283 PolarHBondContact ND2-NE2 2.97Å; N281-Q283 PolarHBondContact ND2-OE1 3.42Å; N281-Q283 VanDerWaalsContact ND2-OE1 3.12Å; N281-Q283 PolarHBondContact O-N 2.9Å; N281-Q283 WeakPolarHBondContact OD1-CG 3.33Å
284	N	30.1	Very low	40.5	Very low	164 Å²	164	128.8 Å²	128.8	88%	0.877	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-94.6	-3.6	176.3	-74.4	-21.9	0	0	0	115.3	N282	N282-N284 PolarHBondContact O-N 3.21Å
285	L	34.2	Very low	38.1	Very low	123 Å²	123	139 Å²	139	64%	0.644	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-9.2	-179.9	-87.4	166.8	0	0	0	114.5	N282 K287	N282-L285 PolarHBondContact O-N 3.31Å; L285-K287 PolarHBondContact O-N 2.79Å
286	I	32.5	Very low	36	Very low	145 Å²	145	143.2 Å²	143.2	74%	0.744	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-11.1	-172.7	-62.2	175.6	0	0	0	113.2
287	K	34.2	Very low	34.4	Very low	205 Å²	205	146.9 Å²	146.9	89%	0.891	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	3.7	-176.1	-80.6	-167.3	173.5	-175.8	0	117.2	L285	L285-K287 PolarHBondContact O-N 2.79Å
288	K	33.1	Very low	32.8	Very low	195 Å²	195	148.6 Å²	148.6	85%	0.848	76%	0.761	S	S	*	*	S	Bend	trans	-137.5	103.4	165.6	-74.3	-168.5	176.5	-177	0	110.5	Q290	K288-Q290 PolarHBondContact O-N 3.19Å
289	G	37.7	Very low	32.2	Very low	83 Å²	83	148 Å²	148	86%	0.856	75%	0.753	S	S	*	*			trans	-74.3	110.3	-176	0	0	0	0	0	113.3
290	Q	29.6	Very low	31.7	Very low	193 Å²	193	143.8 Å²	143.8	90%	0.902	74%	0.737	S	S	*	*			trans	-128.7	140	152.7	-85.9	-177.6	-33.7	0	0	108.8	K288 S292	K288-Q290 PolarHBondContact O-N 3.19Å; Q290-S292 PolarHBondContact O-N 2.68Å
291	R	27.9	Very low	31.4	Very low	253 Å²	253	142 Å²	142	96%	0.955	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-80	116.2	-163.5	-160.4	172.4	-174.5	166.9	-0.2	110.5
292	S	27.1	Very low	31.4	Very low	96 Å²	96	140.1 Å²	140.1	67%	0.671	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-75.5	132.3	-174.2	53.6	0	0	0	0	113.5	Q290	Q290-S292 PolarHBondContact O-N 2.68Å
293	N	26.3	Very low	31.6	Very low	163 Å²	163	138.8 Å²	138.8	87%	0.872	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-81.8	121.6	155.1	-89.3	-16.6	0	0	0	109	Y295	N293-Y295 PolarHBondContact O-N 3.28Å
294	L	34.6	Very low	31.7	Very low	144 Å²	144	134.9 Å²	134.9	75%	0.754	70%	0.698	S	S	*	*			trans	-97.4	83.5	-168	-167.1	74.2	0	0	0	111.7
295	Y	25.3	Very low	32	Very low	217 Å²	217	133.6 Å²	133.6	85%	0.851	69%	0.687	S	S	*	*			trans	-137.6	71.8	174.5	-91.8	-83	0	0	0	110.3	N293	N293-Y295 PolarHBondContact O-N 3.28Å
296	N	32	Very low	32.1	Very low	152 Å²	152	130.1 Å²	130.1	81%	0.813	68%	0.676	S	S	*	*			trans	-153.7	22.4	180	-95.2	-54.3	0	0	0	114.3
297	E	28.7	Very low	32.3	Very low	169 Å²	169	124 Å²	124	79%	0.79	64%	0.644	S	S	*	*	S	Bend	trans	-108.2	-6.2	-174.3	-159.6	158.4	-147.3	0	0	114
298	V	27.4	Very low	32.4	Very low	94 Å²	94	120.2 Å²	120.2	57%	0.57	63%	0.628	S	S	*	*	S	Bend	trans	-96.3	-33.6	-174	-164.2	0	0	0	0	112.7	G300 C301 N302	V298-G300 PolarHBondContact O-N 3.07Å; V298-C301 PolarHBondContact O-N 2.89Å; V298-N302 PolarHBondContact O-N 3.01Å; V298-N302 VanDerWaalsContact O-N 3.16Å
299	D	34.9	Very low	32.5	Very low	101 Å²	101	117.6 Å²	117.6	54%	0.54	61%	0.614	S	S	.	*	H	α-helix	trans	-75	-22.1	-166.5	-67.5	-46.9	0	0	0	115.3	N302 F303	D299-N302 PolarHBondContact O-N 3.48Å; D299-N302 PolarHBondContact OD1-ND2 3.05Å; D299-F303 WeakPolarHBondContact O-CB 3.33Å; D299-F303 PolarHBondContact O-N 2.85Å
300	G	31.4	Very low	32.5	Very low	47 Å²	47	115.9 Å²	115.9	49%	0.485	59%	0.587	S	S	.	*	H	α-helix	trans	-63.8	-41.4	172.7	0	0	0	0	0	112.3	V298 L304	V298-G300 PolarHBondContact O-N 3.07Å; G300-L304 PolarHBondContact O-N 2.71Å; G300-L304 VanDerWaalsContact O-N 3.15Å
301	C	30.1	Very low	32.9	Very low	90 Å²	90	108.7 Å²	108.7	61%	0.608	56%	0.556	S	S	*	*	H	α-helix	trans	-69.6	-45.5	173.4	-69.7	0	0	0	0	110.9	V298 F303 L304 E305	V298-C301 PolarHBondContact O-N 2.89Å; C301-F303 VanDerWaalsContact C-N 3.31Å; C301-F303 PolarHBondContact O-N 2.97Å; C301-L304 PolarHBondContact O-N 3.25Å; C301-E305 WeakPolarHBondContact O-CB 3.43Å; C301-E305 PolarHBondContact O-N 3.34Å
302	N	34.4	Very low	33.4	Very low	73 Å²	73	100.7 Å²	100.7	39%	0.39	53%	0.53	S	S	.	.	H	α-helix	trans	-58.7	-39.1	177.5	-65.2	-21.5	0	0	0	112.5	V298 D299 A306	V298-N302 PolarHBondContact O-N 3.01Å; V298-N302 VanDerWaalsContact O-N 3.16Å; D299-N302 PolarHBondContact O-N 3.48Å; D299-N302 PolarHBondContact OD1-ND2 3.05Å; N302-A306 VanDerWaalsContact O-CB 3.22Å; N302-A306 WeakPolarHBondContact O-CB 3.43Å; N302-A306 PolarHBondContact O-N 3.02Å
303	F	38	Very low	33.9	Very low	68 Å²	68	99.6 Å²	99.6	30%	0.298	51%	0.514	S	S	.	.	H	α-helix	trans	-73.4	-38.5	177.8	-169.1	-87.5	0	0	0	112.3	F145 M223 D299 C301 E305 A306 M307	F145-F303 AromaticContact CE2-CE1 3.98Å; F145-F303 HydrophobicContact CE2-CE1 3.98Å; F145-F303 HydrophobicContact CE2-CZ 4.01Å; F145-F303 HydrophobicContact CZ-CE1 4.28Å; F145-F303 HydrophobicContact CZ-CZ 4.15Å; M223-F303 HydrophobicContact CE-CD1 3.94Å; M223-F303 HydrophobicContact CE-CE1 4.37Å; M223-F303 HydrophobicContact SD-CD1 3.43Å; M223-F303 WeakPolarHBondContact SD-CD1 3.48Å; M223-F303 HydrophobicContact SD-CE1 3.28Å; M223-F303 WeakPolarHBondContact SD-CE1 3.32Å; M223-F303 HydrophobicContact SD-CG 4.48Å; M223-F303 HydrophobicContact SD-CZ 4.23Å; D299-F303 WeakPolarHBondContact O-CB 3.33Å; D299-F303 PolarHBondContact O-N 2.85Å; C301-F303 VanDerWaalsContact C-N 3.31Å; C301-F303 PolarHBondContact O-N 2.97Å; F303-E305 VanDerWaalsContact C-N 3.35Å; F303-A306 PolarHBondContact O-N 3.12Å; F303-M307 HydrophobicContact CD1-CG 3.76Å; F303-M307 HydrophobicContact CE1-CG 3.35Å; F303-M307 HydrophobicContact CE1-SD 4.09Å; F303-M307 HydrophobicContact CZ-CG 4.02Å; F303-M307 HydrophobicContact CZ-SD 4.35Å; F303-M307 VanDerWaalsContact O-CB 3.31Å; F303-M307 WeakPolarHBondContact O-CB 3.31Å; F303-M307 WeakPolarHBondContact O-CG 3.36Å; F303-M307 PolarHBondContact O-N 3.21Å
304	L	36.2	Very low	34.4	Very low	58 Å²	58	95 Å²	95	30%	0.304	49%	0.489	S	S	.	.	H	α-helix	trans	-65	-39.7	172.1	-77.9	173.3	0	0	0	111.4	G300 C301 M307 F308	G300-L304 PolarHBondContact O-N 2.71Å; G300-L304 VanDerWaalsContact O-N 3.15Å; C301-L304 PolarHBondContact O-N 3.25Å; L304-M307 PolarHBondContact O-N 2.58Å; L304-F308 WeakPolarHBondContact O-CB 3.31Å; L304-F308 WeakPolarHBondContact O-CD2 3.33Å; L304-F308 PolarHBondContact O-N 3.44Å
305	E	35.8	Very low	34.5	Very low	136 Å²	136	90.9 Å²	90.9	64%	0.636	47%	0.47	S	S	*	.	H	α-helix	trans	-66.7	-40.4	173.9	-172.1	168.2	-143.8	0	0	111.3	C301 F303 M307 F308 Y309	C301-E305 WeakPolarHBondContact O-CB 3.43Å; C301-E305 PolarHBondContact O-N 3.34Å; F303-E305 VanDerWaalsContact C-N 3.35Å; E305-M307 VanDerWaalsContact C-N 3.35Å; E305-M307 PolarHBondContact O-N 3.49Å; E305-F308 PolarHBondContact O-N 3.04Å; E305-Y309 WeakPolarHBondContact O-CB 3.07Å; E305-Y309 PolarHBondContact O-N 3.46Å
306	A	36.1	Very low	35	Very low	50 Å²	50	84.8 Å²	84.8	41%	0.413	45%	0.448	S	S	.	.	H	α-helix	trans	-66.6	-33.7	173	0	0	0	0	0	112.6	N302 F303 T310	N302-A306 VanDerWaalsContact O-CB 3.22Å; N302-A306 WeakPolarHBondContact O-CB 3.43Å; N302-A306 PolarHBondContact O-N 3.02Å; F303-A306 PolarHBondContact O-N 3.12Å; A306-T310 WeakPolarHBondContact O-CA 3.43Å; A306-T310 WeakPolarHBondContact O-CB 3.34Å; A306-T310 PolarHBondContact O-N 3.44Å; A306-T310 PolarHBondContact O-OG1 2.04Å
307	M	36.8	Very low	35.1	Very low	18 Å²	18	82 Å²	82	9%	0.089	43%	0.43	C	S	.	.	H	α-helix	trans	-70.7	-43.6	172.3	-82.3	-73.8	-73.7	0	0	111.5	W143 F303 L304 E305 T310 V311	W143-M307 HydrophobicContact CZ2-SD 3.92Å; F303-M307 HydrophobicContact CD1-CG 3.76Å; F303-M307 HydrophobicContact CE1-CG 3.35Å; F303-M307 HydrophobicContact CE1-SD 4.09Å; F303-M307 HydrophobicContact CZ-CG 4.02Å; F303-M307 HydrophobicContact CZ-SD 4.35Å; F303-M307 VanDerWaalsContact O-CB 3.31Å; F303-M307 WeakPolarHBondContact O-CB 3.31Å; F303-M307 WeakPolarHBondContact O-CG 3.36Å; F303-M307 PolarHBondContact O-N 3.21Å; L304-M307 PolarHBondContact O-N 2.58Å; E305-M307 VanDerWaalsContact C-N 3.35Å; E305-M307 PolarHBondContact O-N 3.49Å; M307-T310 PolarHBondContact O-N 2.84Å; M307-V311 WeakPolarHBondContact O-CB 3.23Å; M307-V311 VanDerWaalsContact O-CG2 3.23Å; M307-V311 WeakPolarHBondContact O-CG2 3.47Å; M307-V311 PolarHBondContact O-N 3.29Å
308	F	36.5	Very low	35.3	Very low	125 Å²	125	76.7 Å²	76.7	55%	0.548	41%	0.409	S	S	.	.	H	α-helix	trans	-63.2	-47.2	172.6	-94.3	-77.1	0	0	0	110.6	I231 L304 E305 T310 E312	I231-F308 HydrophobicContact CD1-CE2 4.5Å; L304-F308 WeakPolarHBondContact O-CB 3.31Å; L304-F308 WeakPolarHBondContact O-CD2 3.33Å; L304-F308 PolarHBondContact O-N 3.44Å; E305-F308 PolarHBondContact O-N 3.04Å; F308-T310 VanDerWaalsContact C-N 3.34Å; F308-T310 PolarHBondContact O-N 3.38Å; F308-E312 WeakPolarHBondContact O-CA 2.88Å; F308-E312 WeakPolarHBondContact O-CB 3.34Å; F308-E312 PolarHBondContact O-N 3.44Å
309	Y	35.9	Very low	35.6	Very low	139 Å²	139	75.3 Å²	75.3	55%	0.545	40%	0.398	S	S	.	.	H	α-helix	trans	-63.2	-37.5	175.9	-159	-87.1	0	0	0	111.3	E305 E312 Q313	E305-Y309 WeakPolarHBondContact O-CB 3.07Å; E305-Y309 PolarHBondContact O-N 3.46Å; Y309-E312 CarbonylContact O-C 3.56Å; Y309-Q313 HydrophobicContact CD1-CG 3.63Å; Y309-Q313 HydrophobicContact CE1-CG 3.6Å; Y309-Q313 VanDerWaalsContact CE1-NE2 3.33Å; Y309-Q313 WeakPolarHBondContact O-CA 3.22Å; Y309-Q313 VanDerWaalsContact O-CB 3.22Å; Y309-Q313 WeakPolarHBondContact O-CB 3.29Å; Y309-Q313 WeakPolarHBondContact O-CG 3.46Å; Y309-Q313 PolarHBondContact O-N 3.45Å
310	T	36.9	Very low	35.4	Very low	47 Å²	47	74 Å²	74	29%	0.288	40%	0.396	S	S	.	.	H	α-helix	trans	-82.5	-31.8	-179.5	-56	0	0	0	0	113.1	W143 A306 M307 F308 N314	W143-T310 HydrophobicContact CH2-CG2 3.44Å; W143-T310 VanDerWaalsContact CH2-CG2 3.44Å; W143-T310 HydrophobicContact CZ2-CG2 4.48Å; W143-T310 HydrophobicContact CZ3-CG2 3.47Å; W143-T310 VanDerWaalsContact CZ3-CG2 3.47Å; A306-T310 WeakPolarHBondContact O-CA 3.43Å; A306-T310 WeakPolarHBondContact O-CB 3.34Å; A306-T310 PolarHBondContact O-N 3.44Å; A306-T310 PolarHBondContact O-OG1 2.04Å; M307-T310 PolarHBondContact O-N 2.84Å; F308-T310 VanDerWaalsContact C-N 3.34Å; F308-T310 PolarHBondContact O-N 3.38Å; T310-N314 WeakPolarHBondContact CG2-ND2 3.17Å; T310-N314 VanDerWaalsContact O-CB 3.26Å; T310-N314 WeakPolarHBondContact O-CB 3.38Å; T310-N314 PolarHBondContact O-N 3Å; T310-N314 PolarHBondContact O-ND2 3.34Å
311	V	39.3	Very low	35.5	Very low	43 Å²	43	79 Å²	79	26%	0.261	41%	0.405	S	S	.	.	H	α-helix	trans	-66.5	-44	166	169.8	0	0	0	0	109	M307 N314 V315	M307-V311 WeakPolarHBondContact O-CB 3.23Å; M307-V311 VanDerWaalsContact O-CG2 3.23Å; M307-V311 WeakPolarHBondContact O-CG2 3.47Å; M307-V311 PolarHBondContact O-N 3.29Å; V311-N314 PolarHBondContact O-N 3.35Å; V311-V315 HydrophobicContact CG1-CG2 4.18Å; V311-V315 WeakPolarHBondContact O-CA 3.15Å; V311-V315 WeakPolarHBondContact O-CB 3.29Å; V311-V315 WeakPolarHBondContact O-CG2 3.46Å; V311-V315 PolarHBondContact O-N 2.94Å
312	E	36.9	Very low	35.6	Very low	85 Å²	85	78 Å²	78	40%	0.397	39%	0.394	S	S	.	.	H	α-helix	trans	-67.6	-34	176.6	-164.4	-139.8	-166.4	0	0	111.5	F308 Y309 K316	F308-E312 WeakPolarHBondContact O-CA 2.88Å; F308-E312 WeakPolarHBondContact O-CB 3.34Å; F308-E312 PolarHBondContact O-N 3.44Å; Y309-E312 CarbonylContact O-C 3.56Å; E312-K316 HydrophobicContact CG-CD 4.2Å; E312-K316 WeakPolarHBondContact O-CA 3.46Å; E312-K316 WeakPolarHBondContact O-CB 3.44Å; E312-K316 WeakPolarHBondContact O-CD 3.1Å; E312-K316 WeakPolarHBondContact O-CG 3.28Å; E312-K316 PolarHBondContact O-N 2.87Å; E312-K316 WeakPolarHBondContact OE1-CE 3.26Å; E312-K316 IonicContact OE1-NZ 2.72Å; E312-K316 PolarHBondContact OE1-NZ 2.86Å; E312-K316 WeakPolarHBondContact OE2-CE 3.35Å; E312-K316 IonicContact OE2-NZ 2.63Å; E312-K316 PolarHBondContact OE2-NZ 3.26Å
313	Q	37.1	Very low	35.4	Very low	73 Å²	73	83.7 Å²	83.7	34%	0.341	41%	0.409	S	S	.	.	H	α-helix	trans	-74.5	-37.3	172.6	-72.2	-60.3	-12.2	0	0	111.9	Y309 K316 Q317	Y309-Q313 HydrophobicContact CD1-CG 3.63Å; Y309-Q313 HydrophobicContact CE1-CG 3.6Å; Y309-Q313 VanDerWaalsContact CE1-NE2 3.33Å; Y309-Q313 WeakPolarHBondContact O-CA 3.22Å; Y309-Q313 VanDerWaalsContact O-CB 3.22Å; Y309-Q313 WeakPolarHBondContact O-CB 3.29Å; Y309-Q313 WeakPolarHBondContact O-CG 3.46Å; Y309-Q313 PolarHBondContact O-N 3.45Å; Q313-K316 CarbonylContact O-C 3.58Å; Q313-K316 PolarHBondContact O-N 3.12Å; Q313-Q317 WeakPolarHBondContact O-CB 3.49Å; Q313-Q317 PolarHBondContact O-N 2.9Å
314	N	36.9	Very low	35.1	Very low	67 Å²	67	84.5 Å²	84.5	36%	0.358	41%	0.414	S	S	.	.	H	α-helix	trans	-69.1	-37.7	172	-80.7	-59.6	0	0	0	111.5	T310 V311 Q317 V318	T310-N314 WeakPolarHBondContact CG2-ND2 3.17Å; T310-N314 VanDerWaalsContact O-CB 3.26Å; T310-N314 WeakPolarHBondContact O-CB 3.38Å; T310-N314 PolarHBondContact O-N 3Å; T310-N314 PolarHBondContact O-ND2 3.34Å; V311-N314 PolarHBondContact O-N 3.35Å; N314-Q317 CarbonylContact O-C 3.5Å; N314-Q317 PolarHBondContact O-N 3.31Å; N314-V318 WeakPolarHBondContact O-CB 3.09Å; N314-V318 VanDerWaalsContact O-CG2 3.28Å; N314-V318 WeakPolarHBondContact O-CG2 3.32Å; N314-V318 PolarHBondContact O-N 2.83Å
315	V	37.3	Very low	34.8	Very low	56 Å²	56	84.6 Å²	84.6	34%	0.339	42%	0.42	S	S	.	.	H	α-helix	trans	-68.3	-41.5	172.2	167.1	0	0	0	0	110	V311 Q317 V318 I319	V311-V315 HydrophobicContact CG1-CG2 4.18Å; V311-V315 WeakPolarHBondContact O-CA 3.15Å; V311-V315 WeakPolarHBondContact O-CB 3.29Å; V311-V315 WeakPolarHBondContact O-CG2 3.46Å; V311-V315 PolarHBondContact O-N 2.94Å; V315-Q317 VanDerWaalsContact C-N 3.29Å; V315-Q317 PolarHBondContact O-N 2.95Å; V315-V318 CarbonylContact O-C 3.52Å; V315-V318 PolarHBondContact O-N 2.86Å; V315-I319 HydrophobicContact CG1-CD1 3.54Å; V315-I319 HydrophobicContact CG1-CG1 4.32Å; V315-I319 WeakPolarHBondContact O-CA 3.15Å; V315-I319 WeakPolarHBondContact O-CB 3.28Å; V315-I319 WeakPolarHBondContact O-CG1 3.3Å; V315-I319 PolarHBondContact O-N 3.07Å
316	K	35.4	Very low	34.6	Very low	89 Å²	89	81.4 Å²	81.4	39%	0.387	41%	0.407	S	S	.	.	H	α-helix	trans	-64.1	-29.6	169.8	-80	166	173.3	167.7	0	112.1	E312 Q313 I319 S320	E312-K316 HydrophobicContact CG-CD 4.2Å; E312-K316 WeakPolarHBondContact O-CA 3.46Å; E312-K316 WeakPolarHBondContact O-CB 3.44Å; E312-K316 WeakPolarHBondContact O-CD 3.1Å; E312-K316 WeakPolarHBondContact O-CG 3.28Å; E312-K316 PolarHBondContact O-N 2.87Å; E312-K316 WeakPolarHBondContact OE1-CE 3.26Å; E312-K316 IonicContact OE1-NZ 2.72Å; E312-K316 PolarHBondContact OE1-NZ 2.86Å; E312-K316 WeakPolarHBondContact OE2-CE 3.35Å; E312-K316 IonicContact OE2-NZ 2.63Å; E312-K316 PolarHBondContact OE2-NZ 3.26Å; Q313-K316 CarbonylContact O-C 3.58Å; Q313-K316 PolarHBondContact O-N 3.12Å; K316-I319 CarbonylContact O-C 3.42Å; K316-S320 WeakPolarHBondContact O-CA 3.38Å; K316-S320 VanDerWaalsContact O-CB 3.24Å; K316-S320 WeakPolarHBondContact O-CB 3.44Å; K316-S320 PolarHBondContact O-N 2.9Å; K316-S320 PolarHBondContact O-OG 2.91Å
317	Q	33.9	Very low	34.4	Very low	93 Å²	93	81.6 Å²	81.6	44%	0.435	41%	0.405	S	S	.	.	H	α-helix	trans	-84.1	-31.9	177.7	-160.5	-173.8	110.6	0	0	112	Q313 N314 V315 S320 K321	Q313-Q317 WeakPolarHBondContact O-CB 3.49Å; Q313-Q317 PolarHBondContact O-N 2.9Å; N314-Q317 CarbonylContact O-C 3.5Å; N314-Q317 PolarHBondContact O-N 3.31Å; V315-Q317 VanDerWaalsContact C-N 3.29Å; V315-Q317 PolarHBondContact O-N 2.95Å; Q317-S320 WeakPolarHBondContact CA-OG 3.4Å; Q317-S320 PolarHBondContact O-N 2.91Å; Q317-S320 PolarHBondContact O-OG 2.68Å; Q317-K321 HydrophobicContact CG-CD 4.2Å; Q317-K321 VanDerWaalsContact O-CB 3.22Å; Q317-K321 WeakPolarHBondContact O-CB 2.89Å; Q317-K321 VanDerWaalsContact O-CG 3.29Å; Q317-K321 WeakPolarHBondContact O-CG 2.83Å; Q317-K321 PolarHBondContact O-N 2.83Å
318	V	34.5	Very low	34.1	Very low	59 Å²	59	81.7 Å²	81.7	36%	0.358	41%	0.407	S	S	.	.	H	α-helix	trans	-71.3	-34	165.9	169.5	0	0	0	0	110.1	N314 V315 N322 L326	N314-V318 WeakPolarHBondContact O-CB 3.09Å; N314-V318 VanDerWaalsContact O-CG2 3.28Å; N314-V318 WeakPolarHBondContact O-CG2 3.32Å; N314-V318 PolarHBondContact O-N 2.83Å; V315-V318 CarbonylContact O-C 3.52Å; V315-V318 PolarHBondContact O-N 2.86Å; V318-N322 VanDerWaalsContact O-CA 3.26Å; V318-N322 WeakPolarHBondContact O-CA 3.35Å; V318-N322 WeakPolarHBondContact O-CB 3.31Å; V318-N322 PolarHBondContact O-N 2.79Å; V318-N322 PolarHBondContact O-ND2 2.89Å; V318-L326 HydrophobicContact CG1-CD1 4.34Å
319	I	33	Very low	33.8	Very low	64 Å²	64	81.7 Å²	81.7	33%	0.328	41%	0.413	S	S	.	.	H	α-helix	trans	-79.2	-13	170.8	-71.1	169	0	0	0	111.8	V315 K316 R323 L326	V315-I319 HydrophobicContact CG1-CD1 3.54Å; V315-I319 HydrophobicContact CG1-CG1 4.32Å; V315-I319 WeakPolarHBondContact O-CA 3.15Å; V315-I319 WeakPolarHBondContact O-CB 3.28Å; V315-I319 WeakPolarHBondContact O-CG1 3.3Å; V315-I319 PolarHBondContact O-N 3.07Å; K316-I319 CarbonylContact O-C 3.42Å; I319-R323 HydrophobicContact CG2-CG 4.42Å; I319-R323 WeakPolarHBondContact O-CA 3.3Å; I319-R323 WeakPolarHBondContact O-CB 3.5Å; I319-R323 WeakPolarHBondContact O-CG 3.4Å; I319-R323 PolarHBondContact O-N 2.82Å; I319-L326 HydrophobicContact CB-CD1 4.5Å; I319-L326 HydrophobicContact CD1-CD1 4.34Å; I319-L326 HydrophobicContact CG1-CB 4.31Å; I319-L326 HydrophobicContact CG1-CD1 3.4Å; I319-L326 VanDerWaalsContact CG1-CD1 3.4Å; I319-L326 HydrophobicContact CG1-CG 4.45Å
320	S	31.7	Very low	33.5	Very low	74 Å²	74	80.1 Å²	80.1	52%	0.517	42%	0.421	S	S	.	.	H	α-helix	trans	-91.1	-51.4	170.3	72.8	0	0	0	0	109.5	K316 Q317 N322 R323	K316-S320 WeakPolarHBondContact O-CA 3.38Å; K316-S320 VanDerWaalsContact O-CB 3.24Å; K316-S320 WeakPolarHBondContact O-CB 3.44Å; K316-S320 PolarHBondContact O-N 2.9Å; K316-S320 PolarHBondContact O-OG 2.91Å; Q317-S320 WeakPolarHBondContact CA-OG 3.4Å; Q317-S320 PolarHBondContact O-N 2.91Å; Q317-S320 PolarHBondContact O-OG 2.68Å; S320-N322 PolarHBondContact O-N 3.24Å; S320-R323 PolarHBondContact O-N 2.85Å
321	K	31.8	Very low	33.2	Very low	151 Å²	151	81.6 Å²	81.6	66%	0.657	43%	0.433	S	S	*	.	H	α-helix	trans	-62.4	-25.1	173	-66.4	170.6	177.2	171.1	0	112.9	Q317	Q317-K321 HydrophobicContact CG-CD 4.2Å; Q317-K321 VanDerWaalsContact O-CB 3.22Å; Q317-K321 WeakPolarHBondContact O-CB 2.89Å; Q317-K321 VanDerWaalsContact O-CG 3.29Å; Q317-K321 WeakPolarHBondContact O-CG 2.83Å; Q317-K321 PolarHBondContact O-N 2.83Å
322	N	33.2	Very low	33	Very low	71 Å²	71	85.4 Å²	85.4	38%	0.38	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	34.8	172.7	-45.3	-91.5	0	0	0	113.2	V318 S320 E324 S325 L326	V318-N322 VanDerWaalsContact O-CA 3.26Å; V318-N322 WeakPolarHBondContact O-CA 3.35Å; V318-N322 WeakPolarHBondContact O-CB 3.31Å; V318-N322 PolarHBondContact O-N 2.79Å; V318-N322 PolarHBondContact O-ND2 2.89Å; S320-N322 PolarHBondContact O-N 3.24Å; N322-E324 PolarHBondContact O-N 3.14Å; N322-E324 VanDerWaalsContact O-N 3.1Å; N322-S325 PolarHBondContact O-N 2.65Å; N322-L326 PolarHBondContact O-N 3.39Å; N322-L326 VanDerWaalsContact O-N 3.17Å
323	R	29.7	Very low	32.8	Very low	191 Å²	191	88.8 Å²	88.8	72%	0.721	46%	0.458	S	S	*	.	H	α-helix	trans	-53.4	-34.4	173.2	-143.4	162.4	-174.5	-169.7	0.9	111.3	I319 S320 S325 S327	I319-R323 HydrophobicContact CG2-CG 4.42Å; I319-R323 WeakPolarHBondContact O-CA 3.3Å; I319-R323 WeakPolarHBondContact O-CB 3.5Å; I319-R323 WeakPolarHBondContact O-CG 3.4Å; I319-R323 PolarHBondContact O-N 2.82Å; S320-R323 PolarHBondContact O-N 2.85Å; R323-S325 VanDerWaalsContact C-N 3.32Å; R323-S325 PolarHBondContact O-N 2.9Å; R323-S327 WeakPolarHBondContact O-CB 3.46Å; R323-S327 PolarHBondContact O-N 3.36Å
324	E	31.8	Very low	32.4	Very low	85 Å²	85	91 Å²	91	40%	0.397	47%	0.472	S	S	.	.	H	α-helix	trans	-63.7	-22.7	173.7	-69.8	-132.2	141.3	0	0	116.3	N322 R659	N322-E324 PolarHBondContact O-N 3.14Å; N322-E324 VanDerWaalsContact O-N 3.1Å; E324-R659 VanDerWaalsContact CA-NH2 3.32Å; E324-R659 PolarHBondContact O-NH2 3.4Å; E324-R659 WeakPolarHBondContact OE1-CD 3.36Å; E324-R659 WeakPolarHBondContact OE1-CG 3.18Å; E324-R659 IonicContact OE1-CZ 2.68Å; E324-R659 IonicContact OE1-NE 2.64Å; E324-R659 PolarHBondContact OE1-NE 3.46Å; E324-R659 IonicContact OE1-NH1 3.53Å; E324-R659 WeakPolarHBondContact OE2-CD 3.46Å; E324-R659 IonicContact OE2-CZ 3.28Å; E324-R659 IonicContact OE2-NE 3.05Å; E324-R659 PolarHBondContact OE2-NE 3.1Å; E324-R659 IonicContact OE2-NH1 3.48Å; E324-R659 PolarHBondContact OE2-NH1 3.17Å
325	S	30.4	Very low	32.2	Very low	60 Å²	60	92.7 Å²	92.7	42%	0.42	49%	0.489	S	S	.	.	H	α-helix	trans	-102.6	-51	-176.3	-169.4	0	0	0	0	111.8	N322 R323 S327 S328	N322-S325 PolarHBondContact O-N 2.65Å; R323-S325 VanDerWaalsContact C-N 3.32Å; R323-S325 PolarHBondContact O-N 2.9Å; S325-S327 VanDerWaalsContact C-N 3.3Å; S325-S327 PolarHBondContact O-N 3.04Å; S325-S328 WeakPolarHBondContact O-CB 3.05Å; S325-S328 PolarHBondContact O-N 2.83Å; S325-S328 PolarHBondContact O-OG 2.94Å
326	L	30.9	Very low	31.9	Very low	69 Å²	69	98.2 Å²	98.2	36%	0.361	51%	0.51	S	S	.	.	H	α-helix	trans	-70.3	-27	-176.1	-74.7	160.1	0	0	0	112.5	V318 I319 N322 S328 L329 C330	V318-L326 HydrophobicContact CG1-CD1 4.34Å; I319-L326 HydrophobicContact CB-CD1 4.5Å; I319-L326 HydrophobicContact CD1-CD1 4.34Å; I319-L326 HydrophobicContact CG1-CB 4.31Å; I319-L326 HydrophobicContact CG1-CD1 3.4Å; I319-L326 VanDerWaalsContact CG1-CD1 3.4Å; I319-L326 HydrophobicContact CG1-CG 4.45Å; N322-L326 PolarHBondContact O-N 3.39Å; N322-L326 VanDerWaalsContact O-N 3.17Å; L326-S328 PolarHBondContact O-N 2.9Å; L326-L329 HydrophobicContact CD2-CD2 4.42Å; L326-L329 PolarHBondContact O-N 3.3Å; L326-C330 PolarHBondContact O-N 2.91Å
327	S	32.8	Very low	31.5	Very low	55 Å²	55	102.9 Å²	102.9	39%	0.385	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-19.1	164.2	167.6	0	0	0	0	114.3	R323 S325 K655	R323-S327 WeakPolarHBondContact O-CB 3.46Å; R323-S327 PolarHBondContact O-N 3.36Å; S325-S327 VanDerWaalsContact C-N 3.3Å; S325-S327 PolarHBondContact O-N 3.04Å; S327-K655 PolarHBondContact OG-NZ 2.79Å
328	S	30.4	Very low	31.2	Very low	19 Å²	19	103.1 Å²	103.1	13%	0.133	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-16.1	178.3	74.4	0	0	0	0	114.4	S325 L326 L651	S325-S328 WeakPolarHBondContact O-CB 3.05Å; S325-S328 PolarHBondContact O-N 2.83Å; S325-S328 PolarHBondContact O-OG 2.94Å; L326-S328 PolarHBondContact O-N 2.9Å; S328-L651 WeakPolarHBondContact OG-CD1 3.26Å
329	L	30.9	Very low	30.9	Very low	126 Å²	126	108.8 Å²	108.8	66%	0.66	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-44.5	179.6	-138.6	73.4	0	0	0	111	L326 S331 R332	L326-L329 HydrophobicContact CD2-CD2 4.42Å; L326-L329 PolarHBondContact O-N 3.3Å; L329-S331 PolarHBondContact O-N 2.86Å; L329-R332 PolarHBondContact O-N 3.43Å
330	C	28.1	Very low	30.8	Very low	105 Å²	105	110.5 Å²	110.5	71%	0.709	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-4.7	-177.4	-150.8	0	0	0	0	114.7	L326	L326-C330 PolarHBondContact O-N 2.91Å
331	S	31.1	Very low	30.6	Very low	79 Å²	79	111.6 Å²	111.6	55%	0.552	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	32.5	-179.5	-46.2	0	0	0	0	113	L329	L329-S331 PolarHBondContact O-N 2.86Å
332	R	35.5	Very low	30.6	Very low	122 Å²	122	108.3 Å²	108.3	46%	0.46	60%	0.598	S	S	.	*	S	Bend	trans	-145	-2.6	-176.8	-117.4	174.8	-167.5	167.3	5.4	120.8	L329 L651	L329-R332 PolarHBondContact O-N 3.43Å; R332-L651 PolarHBondContact NH1-O 2.75Å
333	H	31.6	Very low	30.4	Very low	156 Å²	156	109.8 Å²	109.8	72%	0.722	61%	0.613	S	S	*	*	S	Bend	trans	-162	57.7	167.7	-115.4	-69.9	0	0	0	115.6
334	L	30.1	Very low	30.3	Very low	121 Å²	121	108 Å²	108	63%	0.634	62%	0.616	S	S	*	*			trans	-123	76	173.5	-93.6	168.6	0	0	0	112.4	C338	L334-C338 HydrophobicContact CD2-CB 3.7Å
335	S	31.5	Very low	30.2	Very low	101 Å²	101	110.7 Å²	110.7	71%	0.706	63%	0.632	S	S	*	*	S	Bend	trans	-145.9	-5.4	163.6	52.6	0	0	0	0	114.2
336	H	32	Very low	30.1	Very low	172 Å²	172	115.1 Å²	115.1	80%	0.796	65%	0.65	S	S	*	*	S	Bend	trans	-144.2	7.2	179.4	-92.7	-76.1	0	0	0	115.9
337	Y	27.2	Very low	29.8	Very low	187 Å²	187	117.2 Å²	117.2	73%	0.733	67%	0.669	S	S	*	*			trans	-133.3	23.7	-177.8	-93.5	-83.2	0	0	0	113.8	L339	Y337-L339 VanDerWaalsContact C-N 3.25Å; Y337-L339 PolarHBondContact O-N 3.11Å
338	C	26	Very low	29.6	Very low	98 Å²	98	119.9 Å²	119.9	66%	0.662	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	23.5	-174.3	-156.1	0	0	0	0	114.6	L334	L334-C338 HydrophobicContact CD2-CB 3.7Å
339	L	28.6	Very low	29.6	Very low	178 Å²	178	123.4 Å²	123.4	93%	0.932	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	10.3	-165.7	-91.2	166.1	0	0	0	116.2	Y337	Y337-L339 VanDerWaalsContact C-N 3.25Å; Y337-L339 PolarHBondContact O-N 3.11Å
340	S	31.4	Very low	29.5	Very low	101 Å²	101	123 Å²	123	71%	0.706	71%	0.711	S	S	*	*	S	Bend	trans	-135.5	-8.6	172.9	65.3	0	0	0	0	115.8
341	C	27.5	Very low	29.4	Very low	97 Å²	97	123.2 Å²	123.2	66%	0.655	71%	0.712	S	S	*	*			trans	-106.1	108.8	171	-72.5	0	0	0	0	109.7	C343	C341-C343 PolarHBondContact O-N 3.39Å
342	G	30.9	Very low	29.4	Very low	81 Å²	81	124.5 Å²	124.5	84%	0.835	72%	0.717	S	S	*	*			trans	-71.2	57.6	177.3	0	0	0	0	0	113.7
343	C	29.5	Very low	29.3	Very low	103 Å²	103	123 Å²	123	70%	0.696	72%	0.721	S	S	*	*			trans	-106.6	72.6	178.9	-65.1	0	0	0	0	110	C341 I345	C341-C343 PolarHBondContact O-N 3.39Å; C343-I345 PolarHBondContact O-N 3.1Å
344	I	27.1	Very low	29.1	Very low	153 Å²	153	123.3 Å²	123.3	79%	0.785	72%	0.721	S	S	*	*			trans	-71.7	96.3	168.7	-59.5	177.1	0	0	0	107.7	L346	I344-L346 HydrophobicContact CG2-CD2 4.38Å; I344-L346 HydrophobicContact CG2-CG 4.17Å
345	I	30.3	Very low	29	Very low	141 Å²	141	123.3 Å²	123.3	72%	0.723	72%	0.721	S	S	*	*			trans	-107.1	101.1	163.6	-62	-179.5	0	0	0	106.7	C343 C347	C343-I345 PolarHBondContact O-N 3.1Å; I345-C347 PolarHBondContact O-N 2.89Å
346	L	27.7	Very low	28.9	Very low	153 Å²	153	121.9 Å²	121.9	80%	0.801	71%	0.711	S	S	*	*			trans	-64.2	131.7	172.7	-68.1	170.4	0	0	0	109.6	I344	I344-L346 HydrophobicContact CG2-CD2 4.38Å; I344-L346 HydrophobicContact CG2-CG 4.17Å
347	C	25.4	Very low	28.7	Very low	114 Å²	114	120.3 Å²	120.3	77%	0.77	70%	0.704	S	S	*	*			trans	-130.3	127	169.5	-77.1	0	0	0	0	107.8	I345	I345-C347 PolarHBondContact O-N 2.89Å
348	S	29.3	Very low	28.9	Very low	110 Å²	110	118.7 Å²	118.7	77%	0.769	70%	0.701	S	S	*	*	S	Bend	trans	83.2	147.5	-176.8	-159	0	0	0	0	117.3	D350	S348-D350 PolarHBondContact O-N 2.82Å; S348-D350 VanDerWaalsContact O-N 3.16Å
349	S	29.3	Very low	29.1	Very low	93 Å²	93	121.2 Å²	121.2	65%	0.65	70%	0.701	S	S	*	*	S	Bend	trans	68.6	-84.3	162.8	-32.9	0	0	0	0	117.9	C351	S349-C351 PolarHBondContact O-N 2.81Å
350	D	29.2	Very low	29.2	Very low	119 Å²	119	120 Å²	120	64%	0.636	69%	0.688	S	S	*	*			trans	-94.8	50.8	-146.8	-60.1	-55.5	0	0	0	115.6	S348 T352	S348-D350 PolarHBondContact O-N 2.82Å; S348-D350 VanDerWaalsContact O-N 3.16Å; D350-T352 PolarHBondContact O-N 3.34Å
351	C	26.8	Very low	29.1	Very low	108 Å²	108	121.2 Å²	121.2	73%	0.73	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-7.7	178.6	-159.5	0	0	0	0	114.1	S349	S349-C351 PolarHBondContact O-N 2.81Å
352	T	30.9	Very low	29.1	Very low	106 Å²	106	120.8 Å²	120.8	65%	0.65	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-27.8	-176.7	40.9	0	0	0	0	114	D350 S356	D350-T352 PolarHBondContact O-N 3.34Å; T352-S356 PolarHBondContact O-N 3.18Å
353	T	31.9	Very low	29	Very low	90 Å²	90	125.4 Å²	125.4	55%	0.552	68%	0.677	S	S	*	*	H	α-helix	trans	-81.3	-27.1	-168.2	-41.6	0	0	0	0	113.9	S356	T353-S356 PolarHBondContact O-OG 3.38Å
354	F	27.7	Very low	29	Very low	164 Å²	164	127.2 Å²	127.2	72%	0.719	68%	0.679	S	S	*	*	H	α-helix	trans	-76.6	-35.6	175.8	-157.9	-97.8	0	0	0	111.9	S356 H357 F358	F354-S356 PolarHBondContact O-N 2.91Å; F354-H357 PolarHBondContact O-N 3.33Å; F354-F358 HydrophobicContact CE1-CD2 4.42Å
355	L	29.3	Very low	29.2	Very low	120 Å²	120	128 Å²	128	63%	0.628	69%	0.685	S	S	*	*	H	α-helix	trans	-67.2	-32.4	176.3	-81.3	167.3	0	0	0	112.7	H357 F358 K359	L355-H357 VanDerWaalsContact C-N 3.34Å; L355-H357 PolarHBondContact O-N 3.06Å; L355-F358 PolarHBondContact O-N 3.3Å; L355-K359 VanDerWaalsContact O-CB 3.29Å; L355-K359 WeakPolarHBondContact O-CB 3.06Å; L355-K359 PolarHBondContact O-N 2.95Å
356	S	29.5	Very low	28.9	Very low	72 Å²	72	125.7 Å²	125.7	50%	0.503	68%	0.681	S	S	.	*	H	α-helix	trans	-66.8	-34	179.5	66.2	0	0	0	0	112.8	T352 T353 F354 K359 K360	T352-S356 PolarHBondContact O-N 3.18Å; T353-S356 PolarHBondContact O-OG 3.38Å; F354-S356 PolarHBondContact O-N 2.91Å; S356-K359 PolarHBondContact O-N 3.47Å; S356-K360 PolarHBondContact O-N 3.43Å
357	H	28.1	Very low	28.9	Very low	139 Å²	139	128.9 Å²	128.9	64%	0.644	68%	0.684	S	S	*	*	H	α-helix	trans	-69.7	-42.8	177.9	-147.9	-73.6	0	0	0	112	F354 L355 K360	F354-H357 PolarHBondContact O-N 3.33Å; L355-H357 VanDerWaalsContact C-N 3.34Å; L355-H357 PolarHBondContact O-N 3.06Å; H357-K360 PolarHBondContact O-N 3.49Å
358	F	29.9	Very low	28.8	Very low	153 Å²	153	134.7 Å²	134.7	67%	0.671	69%	0.691	S	S	*	*	H	α-helix	trans	-67.1	-34.9	173.1	-107.9	-87.7	0	0	0	112.6	F354 L355 K360 N361 S362	F354-F358 HydrophobicContact CE1-CD2 4.42Å; L355-F358 PolarHBondContact O-N 3.3Å; F358-K360 PolarHBondContact O-N 2.77Å; F358-N361 PolarHBondContact O-N 2.96Å; F358-S362 PolarHBondContact O-N 2.04Å
359	K	30.7	Very low	28.6	Very low	151 Å²	151	133.5 Å²	133.5	66%	0.657	70%	0.696	S	S	*	*	H	α-helix	trans	-75.5	1.5	177.3	-141.6	174.4	-167.2	-179.5	0	114.2	L355 S356 R363	L355-K359 VanDerWaalsContact O-CB 3.29Å; L355-K359 WeakPolarHBondContact O-CB 3.06Å; L355-K359 PolarHBondContact O-N 2.95Å; S356-K359 PolarHBondContact O-N 3.47Å; K359-R363 PolarHBondContact O-NE 2.91Å
360	K	30	Very low	28.3	Very low	151 Å²	151	132.9 Å²	132.9	66%	0.657	71%	0.705	S	S	*	*	H	α-helix	trans	-89.2	-51.9	169.5	-156.6	175.6	-176.9	-175.7	0	110.8	S356 H357 F358 S362 R363	S356-K360 PolarHBondContact O-N 3.43Å; H357-K360 PolarHBondContact O-N 3.49Å; F358-K360 PolarHBondContact O-N 2.77Å; K360-S362 PolarHBondContact O-N 2.81Å; K360-S362 VanDerWaalsContact O-N 3.16Å; K360-R363 PolarHBondContact O-N 3.41Å
361	N	30.3	Very low	28.1	Very low	127 Å²	127	132.8 Å²	132.8	68%	0.679	71%	0.713	S	S	*	*	H	α-helix	trans	-72.7	-4.2	-179.5	-68.1	22.7	0	0	0	114.6	F358	F358-N361 PolarHBondContact O-N 2.96Å
362	S	27.9	Very low	28	Very low	89 Å²	89	137.9 Å²	137.9	62%	0.622	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	5.6	177.6	-172.7	0	0	0	0	114.1	F358 K360	F358-S362 PolarHBondContact O-N 2.04Å; K360-S362 PolarHBondContact O-N 2.81Å; K360-S362 VanDerWaalsContact O-N 3.16Å
363	R	27.9	Very low	27.7	Very low	177 Å²	177	138 Å²	138	67%	0.668	73%	0.729	S	S	*	*	S	Bend	trans	-92.1	-21.7	-179.3	-62.5	-168.6	-168.2	-163.9	3.5	114	K359 K360 L365 S366	K359-R363 PolarHBondContact O-NE 2.91Å; K360-R363 PolarHBondContact O-N 3.41Å; R363-L365 PolarHBondContact O-N 3.32Å; R363-S366 PolarHBondContact O-OG 2.8Å
364	D	29.9	Very low	27.4	Very low	141 Å²	141	142.2 Å²	142.2	75%	0.754	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	7.8	-172.5	-54.3	-34.7	0	0	0	113.6
365	L	30.6	Very low	27.1	Very low	171 Å²	171	139.8 Å²	139.8	90%	0.895	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	3.1	174.1	-100.2	84.8	0	0	0	114.3	R363 Y367	R363-L365 PolarHBondContact O-N 3.32Å; L365-Y367 PolarHBondContact O-N 3.3Å
366	S	25.8	Very low	27	Very low	92 Å²	92	146.1 Å²	146.1	64%	0.643	77%	0.765	S	S	*	*			trans	-101.3	64.3	-178.7	65.3	0	0	0	0	112.8	R363	R363-S366 PolarHBondContact O-OG 2.8Å
367	Y	25.6	Very low	26.7	Very low	219 Å²	219	146.1 Å²	146.1	86%	0.859	78%	0.776	S	S	*	*			trans	-139.2	76.5	173.9	-128.4	-84.4	0	0	0	111.3	L365	L365-Y367 PolarHBondContact O-N 3.3Å
368	Y	24	Very low	26.6	Very low	236 Å²	236	149.7 Å²	149.7	93%	0.925	79%	0.79	S	S	*	*	S	Bend	trans	-180	112.7	148.5	-102.6	-65	0	0	0	111.3
369	G	24.9	Very low	26.3	Very low	85 Å²	85	150.6 Å²	150.6	88%	0.876	80%	0.796	S	S	*	*			trans	72.6	155	169.1	0	0	0	0	0	116.5
370	G	24	Very low	26	Very low	80 Å²	80	150.2 Å²	150.2	83%	0.825	81%	0.806	S	S	*	*			cis	169.4	93.4	-2.9	0	0	0	0	0	111.3
371	S	24.3	Very low	25.7	Very low	118 Å²	118	150.9 Å²	150.9	83%	0.825	81%	0.811	S	S	*	*			trans	-57.5	142.4	-171.7	-44	0	0	0	0	115.4
372	K	25.8	Very low	25.5	Very low	214 Å²	214	150.6 Å²	150.6	93%	0.93	81%	0.814	S	S	*	*				-174.8	153.3	111	-100.6	164.5	-176.1	178.3	0	114.1
373	S	24	Very low	25.3	Very low	110 Å²	110	153.7 Å²	153.7	77%	0.769	82%	0.823	S	S	*	*			trans	-109.9	163.6	172.1	52.5	0	0	0	0	110.6
374	I	24.5	Very low	25.2	Very low	178 Å²	178	148.2 Å²	148.2	91%	0.913	82%	0.823	S	S	*	*			trans	-157.1	163.6	157	-108.8	153.8	0	0	0	109.6
375	S	23.3	Very low	25.2	Very low	113 Å²	113	151.7 Å²	151.7	79%	0.79	83%	0.831	S	S	*	*			trans	-121.3	169.7	-146.8	54.3	0	0	0	0	116.8
376	R	25.7	Very low	25	Very low	252 Å²	252	150.4 Å²	150.4	95%	0.951	83%	0.825	S	S	*	*			trans	-56.5	148.7	179.2	-75	167.6	151	163.7	-9.9	115.8
377	G	23.8	Very low	24.9	Very low	72 Å²	72	152.9 Å²	152.9	74%	0.742	83%	0.83	S	S	*	*			trans	-175.8	153.8	145.8	0	0	0	0	0	110
378	K	25.7	Very low	24.8	Very low	214 Å²	214	148.5 Å²	148.5	93%	0.93	83%	0.826	S	S	*	*			cis	-153.1	171	-14.7	-110.7	-178.7	-179.7	178.9	0	107.8
379	H	23.7	Very low	24.8	Very low	173 Å²	173	142.7 Å²	142.7	80%	0.801	82%	0.82	S	S	*	*			trans	-67.6	159	172.6	-82.8	-105.4	0	0	0	112.9
380	V	23.9	Very low	24.8	Very low	143 Å²	143	143.4 Å²	143.4	87%	0.867	81%	0.812	S	S	*	*				-155.4	157.9	127.3	132.7	0	0	0	0	109.8
381	H	24.5	Very low	24.9	Very low	164 Å²	164	147.6 Å²	147.6	76%	0.759	81%	0.807	S	S	*	*			trans	-119.2	149.3	-176.8	-125.6	-73	0	0	0	109.1
382	T	25.1	Very low	25	Very low	122 Å²	122	147.1 Å²	147.1	75%	0.748	80%	0.795	S	S	*	*			trans	-173.7	139	133.8	22.6	0	0	0	0	112.7
383	D	24.2	Very low	25.1	Very low	153 Å²	153	143.6 Å²	143.6	82%	0.818	78%	0.782	S	S	*	*			trans	19.8	152.7	133.3	-45.9	-28.6	0	0	0	121.6
384	G	25.8	Very low	25.2	Very low	63 Å²	63	145.8 Å²	145.8	65%	0.649	78%	0.78	S	S	*	*			cis	144.5	164.3	-0.7	0	0	0	0	0	112.7
385	K	29.7	Very low	25.2	Very low	214 Å²	214	142.9 Å²	142.9	93%	0.93	77%	0.766	S	S	*	*			trans	73.4	161.6	-179.1	-55	169.8	-175.1	171.8	0	115.6
386	N	26	Very low	25.2	Very low	144 Å²	144	143.4 Å²	143.4	77%	0.77	77%	0.769	S	S	*	*			cis	-166.1	-167.7	-48.1	-136.6	-4.4	0	0	0	108.9
387	L	24.4	Very low	25.2	Very low	144 Å²	144	138.5 Å²	138.5	75%	0.754	76%	0.757	S	S	*	*			trans	78.2	121.6	168.6	-59.7	115.6	0	0	0	115.1
388	T	24.3	Very low	25.3	Very low	126 Å²	126	146 Å²	146	77%	0.773	76%	0.763	S	S	*	*				75.9	139.9	53.8	67.9	0	0	0	0	113.6
389	S	23.8	Very low	25.6	Very low	115 Å²	115	142 Å²	142	80%	0.804	76%	0.759	S	S	*	*			cis	-162.5	-165	3.5	-159.2	0	0	0	0	111.4
390	S	24.2	Very low	25.6	Very low	100 Å²	100	138.6 Å²	138.6	70%	0.699	76%	0.761	S	S	*	*			trans	79.9	136.7	172.3	-71.2	0	0	0	0	117
391	K	25.3	Very low	25.7	Very low	167 Å²	167	137.8 Å²	137.8	73%	0.726	76%	0.762	S	S	*	*			cis	70.9	143.9	45.3	-69	176.9	121.9	-101.2	0	111.7
392	D	26.9	Very low	25.8	Very low	108 Å²	108	136.6 Å²	136.6	58%	0.578	76%	0.761	S	S	*	*			cis	-164.2	164.9	6.2	-109.8	-24	0	0	0	107.3
393	Q	27.9	Very low	26.1	Very low	141 Å²	141	136.4 Å²	136.4	66%	0.659	76%	0.762	S	S	*	*			cis	-167.9	-164.7	-18.1	-146.7	-177.4	104.1	0	0	108.6
394	H	26.5	Very low	26.2	Very low	156 Å²	156	137.5 Å²	137.5	72%	0.722	76%	0.762	S	S	*	*			trans	68.7	165.5	161.6	-94.2	-124	0	0	0	119.1
395	L	24.3	Very low	26.3	Very low	117 Å²	117	146.5 Å²	146.5	61%	0.613	78%	0.776	S	S	*	*				178.1	134.4	-51.9	-119.1	168.3	0	0	0	109
396	S	23.6	Very low	26.2	Very low	123 Å²	123	146.5 Å²	146.5	86%	0.86	78%	0.776	S	S	*	*			trans	-177.2	163	146.6	-88.9	0	0	0	0	111.9
397	Q	25.9	Very low	26.1	Very low	150 Å²	150	144.6 Å²	144.6	70%	0.701	78%	0.78	S	S	*	*			trans	-137.3	142.4	-171.1	-52.1	-179	13.4	0	0	113.6
398	R	26	Very low	26.1	Very low	228 Å²	228	143.4 Å²	143.4	86%	0.86	78%	0.784	S	S	*	*			trans	67.1	173.5	141	-81	177	-175.6	-156.7	1.8	115.7
399	P	30.9	Very low	26.3	Very low	131 Å²	131	147 Å²	147	85%	0.851	79%	0.792	S	S	*	*			cis	-116	-162.8	13.2	42.9	-29	0	0	0	115.6
400	A	25.3	Very low	26.5	Very low	101 Å²	101	147.5 Å²	147.5	84%	0.835	80%	0.796	S	S	*	*			trans	-123.7	162.9	-167.6	0	0	0	0	0	112.7
401	S	25	Very low	26.7	Very low	126 Å²	126	152.3 Å²	152.3	88%	0.881	80%	0.804	S	S	*	*			trans	-144.5	158.3	164.4	61.8	0	0	0	0	110.7
402	N	26.3	Very low	26.8	Very low	139 Å²	139	153.7 Å²	153.7	74%	0.743	81%	0.813	S	S	*	*			trans	-159.1	140.5	-175.8	172.6	43.2	0	0	0	109
403	P	32.3	Very low	26.9	Very low	118 Å²	118	160.2 Å²	160.2	77%	0.766	83%	0.829	S	S	*	*			trans	-137.9	150.8	140.5	34.8	-21	0	0	0	114.4
404	Q	26.6	Very low	26.7	Very low	176 Å²	176	159.5 Å²	159.5	82%	0.822	84%	0.839	S	S	*	*			trans	-76.9	156.4	175.4	-55.1	174.9	-62.7	0	0	112.6
405	R	27.3	Very low	26.8	Very low	253 Å²	253	155.7 Å²	155.7	96%	0.955	84%	0.841	S	S	*	*			trans	-134.9	162	145.3	-96.6	-175.8	178.2	-175.3	-1.2	111.6
406	K	26.7	Very low	27	Very low	213 Å²	213	158.1 Å²	158.1	93%	0.926	85%	0.854	S	S	*	*			trans	-90.1	163	-161.3	-65.5	178.8	179.2	176.7	0	113.4
407	A	23.8	Very low	27.2	Very low	104 Å²	104	163.9 Å²	163.9	86%	0.86	86%	0.857	S	S	*	*			trans	-83.1	162	179.6	0	0	0	0	0	113.8
408	S	25.6	Very low	27.3	Very low	119 Å²	119	163.8 Å²	163.8	83%	0.832	86%	0.861	S	S	*	*			trans	-130.4	133.9	167.9	55.9	0	0	0	0	110.2
409	Q	28.4	Very low	27.6	Very low	203 Å²	203	158.2 Å²	158.2	95%	0.949	85%	0.854	S	S	*	*			trans	-87.5	146.3	178.7	-65.4	174.1	-18.9	0	0	111.5
410	S	28.4	Very low	27.8	Very low	125 Å²	125	158.1 Å²	158.1	87%	0.874	85%	0.854	S	S	*	*			trans	-145.2	166.4	160.9	75.8	0	0	0	0	111.6
411	K	27.6	Very low	28.1	Very low	201 Å²	201	164.9 Å²	164.9	87%	0.874	86%	0.858	S	S	*	*			trans	-95.4	148.9	-155.9	-63.6	173.1	179.5	174.6	0	113.5
412	H	28.5	Very low	28.3	Very low	195 Å²	195	162 Å²	162	90%	0.903	85%	0.848	S	S	*	*			trans	-56.3	138	165.4	-62.5	-74.7	0	0	0	111.8
413	R	28.1	Very low	28.5	Very low	245 Å²	245	162.7 Å²	162.7	93%	0.925	85%	0.852	S	S	*	*			trans	-135.4	120.8	159.7	-87.2	-175.1	166.1	179.7	-4.1	108.9
414	C	24.6	Very low	28.6	Very low	127 Å²	127	163 Å²	163	86%	0.858	85%	0.852	S	S	*	*			trans	-82.9	113.8	168.7	-63.5	0	0	0	0	108.8
415	G	28.2	Very low	28.8	Very low	75 Å²	75	164.4 Å²	164.4	77%	0.773	86%	0.855	S	S	*	*			trans	-80.2	138	166.2	0	0	0	0	0	110.6
416	L	28.3	Very low	28.9	Very low	168 Å²	168	160.9 Å²	160.9	88%	0.88	85%	0.85	S	S	*	*			trans	-67.7	152.3	166.6	-77.9	75.9	0	0	0	109.3
417	R	28.5	Very low	28.9	Very low	244 Å²	244	162.5 Å²	162.5	92%	0.921	85%	0.85	S	S	*	*			trans	-105.2	129.6	164.4	-81.7	-174.9	169.3	-170.5	-4.3	108.9
418	D	28	Very low	29	Very low	149 Å²	149	168.8 Å²	168.8	80%	0.797	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-69.7	148.5	172	-59.3	-70.6	0	0	0	111.8
419	P	32.5	Very low	29.2	Very low	111 Å²	111	175 Å²	175	72%	0.721	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-78.4	144.3	172.7	32.4	-33.7	0	0	0	111.3
420	P	34.7	Very low	29.2	Very low	129 Å²	129	171.2 Å²	171.2	84%	0.838	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-68.4	144.3	174.3	29.6	-34.4	0	0	0	111.4
421	R	30	Very low	29.2	Very low	242 Å²	242	174.7 Å²	174.7	91%	0.913	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-73.6	146.9	172.5	-65.4	179.6	-179.1	170	0.5	110.6
422	G	29.8	Very low	29.1	Very low	66 Å²	66	169.2 Å²	169.2	68%	0.68	84%	0.839	S	S	*	*			trans	-129.7	119.8	164.3	0	0	0	0	0	109.3
423	D	31.8	Very low	29.3	Very low	154 Å²	154	167.8 Å²	167.8	82%	0.824	84%	0.838	S	S	*	*			trans	-80.8	129.5	-177.2	-65.2	-41.5	0	0	0	111.2
424	T	33.2	Very low	29.3	Very low	125 Å²	125	159.8 Å²	159.8	77%	0.767	83%	0.832	S	S	*	*			trans	-123.3	116.6	-179.2	-52.6	0	0	0	0	109.6
425	F	30.2	Very low	29.2	Very low	204 Å²	204	160.1 Å²	160.1	90%	0.895	83%	0.834	S	S	*	*			trans	-67.7	143.8	177.7	-90.6	-96.6	0	0	0	112.4
426	H	29.7	Very low	29.2	Very low	180 Å²	180	166.7 Å²	166.7	83%	0.833	84%	0.841	S	S	*	*			trans	-73.3	156	-164.3	-55.9	-68.1	0	0	0	115.7
427	R	27.1	Very low	29.1	Very low	247 Å²	247	169.4 Å²	169.4	93%	0.932	84%	0.839	S	S	*	*			trans	-124.3	122.5	146.2	-157.7	176.2	-167.9	-168.3	4.2	110.1
428	R	26.8	Very low	29	Very low	236 Å²	236	166.9 Å²	166.9	89%	0.891	84%	0.838	S	S	*	*			trans	-70.5	136	-179.2	-70.7	179.5	175.2	174	-2	112.1
429	R	29.1	Very low	28.9	Very low	249 Å²	249	163.5 Å²	163.5	94%	0.94	84%	0.838	S	S	*	*			trans	-150.7	170.5	137.5	-118.3	175.3	-178.9	174.2	0.2	110.2
430	T	28.1	Very low	28.5	Very low	123 Å²	123	164.8 Å²	164.8	76%	0.755	84%	0.844	S	S	*	*			trans	-122	161.5	-141.6	48.7	0	0	0	0	116.2
431	K	28.4	Very low	28.5	Very low	199 Å²	199	164 Å²	164	87%	0.865	84%	0.839	S	S	*	*			trans	75.2	91.3	164.3	-68.6	-172.2	174.5	-175.6	0	118.2
432	A	26.5	Very low	28.2	Very low	85 Å²	85	157.6 Å²	157.6	70%	0.702	83%	0.831	S	S	*	*				27.7	131.7	120.8	0	0	0	0	0	120.8
433	N	31.8	Very low	28	Very low	166 Å²	166	161.9 Å²	161.9	89%	0.888	83%	0.834	S	S	*	*				-170.4	154.5	103.9	-97	-14.3	0	0	0	113.8
434	G	28.3	Very low	27.6	Very low	77 Å²	77	161.2 Å²	161.2	79%	0.794	83%	0.826	S	S	*	*			trans	71	102	147.3	0	0	0	0	0	119.8
435	C	22.8	Very low	27.3	Very low	133 Å²	133	159.9 Å²	159.9	90%	0.899	82%	0.818	S	S	*	*			trans	-88.5	143.6	158.2	-60.3	0	0	0	0	111.4
436	K	28.8	Very low	27.1	Very low	214 Å²	214	157.9 Å²	157.9	93%	0.93	82%	0.816	S	S	*	*			trans	-153	159.6	143.1	-115.5	172.1	-176.1	-179.4	0	110.8
437	R	25.7	Very low	26.8	Very low	224 Å²	224	153.3 Å²	153.3	85%	0.845	81%	0.809	S	S	*	*			trans	-119.4	164.8	-171	-76.6	-179.4	169.2	177.7	-3	111.3
438	Q	25.8	Very low	26.9	Very low	192 Å²	192	147.3 Å²	147.3	90%	0.897	80%	0.8	S	S	*	*			trans	69.3	145.5	160.1	-72.5	160.7	-39.2	0	0	117
439	G	26.6	Very low	26.8	Very low	77 Å²	77	142.7 Å²	142.7	79%	0.794	80%	0.798	S	S	*	*			trans	147	60.3	176.8	0	0	0	0	0	116.4
440	T	24.3	Very low	26.6	Very low	138 Å²	138	141.9 Å²	141.9	85%	0.847	80%	0.795	S	S	*	*			trans	-131.6	139.7	155.6	47.1	0	0	0	0	106.7
441	P	34.3	Very low	26.6	Very low	113 Å²	113	142 Å²	142	73%	0.734	80%	0.8	S	S	*	*				-147.4	174.5	74.8	39	-20.5	0	0	0	116.7
442	S	23.3	Very low	26.6	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	80%	0.799	S	S	*	*			trans	61.7	163.9	152.5	46.5	0	0	0	0	120.4
443	Q	25.4	Very low	26.6	Very low	156 Å²	156	138.3 Å²	138.3	73%	0.729	81%	0.807	S	S	*	*			cis	-178.5	153.9	-33.3	-177.5	173.2	-23.6	0	0	108
444	E	24	Very low	26.4	Very low	140 Å²	140	136.7 Å²	136.7	65%	0.654	80%	0.803	S	S	*	*			trans	63.3	164	171.6	-71.3	-17.9	122.9	0	0	118.3
445	T	25.3	Very low	26.4	Very low	98 Å²	98	139.2 Å²	139.2	60%	0.601	80%	0.803	S	S	*	*			cis	-161.8	144	-44.5	-136	0	0	0	0	112
446	L	26.1	Very low	26.6	Very low	162 Å²	162	137.3 Å²	137.3	85%	0.848	80%	0.797	S	S	*	*			trans	56.5	171.3	169.3	-62.4	169	0	0	0	115.7
447	A	25	Very low	26.9	Very low	84 Å²	84	132.8 Å²	132.8	69%	0.694	79%	0.787	S	S	*	*			cis	-141.5	154.5	-0.3	0	0	0	0	0	113.1
448	T	28.3	Very low	27.3	Very low	121 Å²	121	128.2 Å²	128.2	74%	0.742	79%	0.786	S	S	*	*			trans	7.2	134.8	137.3	-48.2	0	0	0	0	121.1
449	V	26	Very low	27.6	Very low	139 Å²	139	126.1 Å²	126.1	84%	0.842	78%	0.78	S	S	*	*				-162.1	155.9	127.1	137.3	0	0	0	0	110.5
450	W	24.3	Very low	27.7	Very low	232 Å²	232	129.3 Å²	129.3	88%	0.879	78%	0.784	S	S	*	*			trans	-78	160.1	-177.4	-55.1	-37	0	0	0	114.4
451	S	28.3	Very low	28.1	Very low	125 Å²	125	133.4 Å²	133.4	87%	0.874	78%	0.784	S	S	*	*				-164.7	153.9	108.9	-83	0	0	0	0	111.8
452	A	27.3	Very low	27.7	Very low	101 Å²	101	134.8 Å²	134.8	84%	0.835	78%	0.781	S	S	*	*			trans	-114.8	143.7	174.6	0	0	0	0	0	110.3
453	A	27.1	Very low	27.9	Very low	105 Å²	105	135 Å²	135	87%	0.868	77%	0.77	S	S	*	*			trans	-144.3	149.6	164.4	0	0	0	0	0	109
454	T	28	Very low	28.1	Very low	132 Å²	132	134.9 Å²	134.9	81%	0.81	77%	0.767	S	S	*	*			trans	-127.2	172.3	-170.2	-53.2	0	0	0	0	109.2
455	V	28.8	Very low	28.1	Very low	131 Å²	131	135 Å²	135	79%	0.794	77%	0.769	S	S	*	*			trans	112.5	138	152.5	-178.7	0	0	0	0	117
456	A	26.3	Very low	28.1	Very low	93 Å²	93	138.5 Å²	138.5	77%	0.769	78%	0.781	S	S	*	*			trans	69.5	117.9	159.4	0	0	0	0	0	121.2
457	T	34.8	Very low	28	Very low	119 Å²	119	135.3 Å²	135.3	73%	0.73	78%	0.778	S	S	*	*			trans	-81	174.8	138.6	53.9	0	0	0	0	109.8
458	P	34.8	Very low	27.9	Very low	127 Å²	127	136.1 Å²	136.1	83%	0.825	78%	0.779	S	S	*	*				-133.8	177.1	110.5	38	-30.5	0	0	0	114
459	I	31.4	Very low	27.8	Very low	148 Å²	148	137.2 Å²	137.2	76%	0.759	78%	0.779	S	S	*	*			trans	-123.1	138.1	178.1	-61.7	168.2	0	0	0	108.3
460	T	28.6	Very low	27.8	Very low	144 Å²	144	136.8 Å²	136.8	88%	0.883	77%	0.768	S	S	*	*			trans	-131.1	158.6	163.2	48	0	0	0	0	110.8
461	R	32.1	Very low	28	Very low	225 Å²	225	133.7 Å²	133.7	85%	0.849	76%	0.76	S	S	*	*			trans	-163.7	136.4	-161.5	175.8	-165.1	-172.4	-164.8	4.2	110.7
462	E	27.4	Very low	27.8	Very low	142 Å²	142	135.8 Å²	135.8	66%	0.664	75%	0.754	S	S	*	*			trans	-157.2	-158	150.5	-124	-44.3	98.4	0	0	112.6
463	Q	26.7	Very low	27.7	Very low	112 Å²	112	136.6 Å²	136.6	52%	0.523	74%	0.744	S	S	.	*			trans	-140.2	171.6	-164.9	-47.2	155.9	61	0	0	113
464	K	28.6	Very low	27.6	Very low	153 Å²	153	138.8 Å²	138.8	67%	0.665	73%	0.734	S	S	*	*			trans	70.8	158.6	147	-72.9	161.1	174.1	161.9	0	117.5
465	M	25	Very low	27.8	Very low	143 Å²	143	138 Å²	138	70%	0.704	73%	0.731	S	S	*	*			cis	-157.2	137.4	-4.2	-126	154.9	172.7	0	0	114.3
466	M	24.5	Very low	27.7	Very low	170 Å²	170	138 Å²	138	84%	0.837	72%	0.722	S	S	*	*			trans	67.4	159.6	133.6	-73.5	-68.8	-178.2	0	0	126.2
467	A	24.7	Very low	27.6	Very low	96 Å²	96	140.7 Å²	140.7	79%	0.793	72%	0.717	S	S	*	*			trans	80.2	148.3	166.5	0	0	0	0	0	118
468	S	23.8	Very low	27	Very low	101 Å²	101	142 Å²	142	71%	0.706	72%	0.715	S	S	*	*			cis	-154.5	153.7	1.9	-147.1	0	0	0	0	115.2
469	L	25.2	Very low	26.4	Very low	143 Å²	143	142.3 Å²	142.3	75%	0.749	71%	0.708	S	S	*	*			trans	16.9	154	142.9	-57.9	175.3	0	0	0	122.4
470	H	27	Very low	26.1	Very low	131 Å²	131	141.2 Å²	141.2	61%	0.606	70%	0.704	S	S	*	*			cis	-160.3	163.4	-1.4	-137.6	9.8	0	0	0	114.2
471	K	27.3	Very low	25.7	Very low	166 Å²	166	143.6 Å²	143.6	72%	0.722	70%	0.703	S	S	*	*			trans	19.5	151.9	151.5	-74.9	170.3	-174.3	150.3	0	121.5
472	K	25.4	Very low	25.2	Very low	170 Å²	170	139.8 Å²	139.8	74%	0.739	69%	0.694	S	S	*	*			cis	-149.4	-174.8	26.4	-138.4	-167.1	170.5	-148.1	0	108.4
473	D	24.1	Very low	25	Very low	117 Å²	117	138.1 Å²	138.1	63%	0.626	69%	0.693	S	S	*	*			cis	-156.2	179.2	1.3	-155.6	4.5	0	0	0	111.4
474	K	24.6	Very low	24.8	Very low	151 Å²	151	139.9 Å²	139.9	66%	0.657	71%	0.706	S	S	*	*			trans	-161.1	153.1	168.7	-155.8	-164.4	178	-164.1	0	112.6	Q476	K474-Q476 PolarHBondContact NZ-O 2.03Å
475	P	33.3	Very low	24.3	Very low	115 Å²	115	142.8 Å²	142.8	75%	0.747	71%	0.713	S	S	*	*				-133.5	153.3	123.7	6.3	16.1	0	0	0	113.9
476	Q	25.6	Very low	24.2	Very low	131 Å²	131	144.8 Å²	144.8	61%	0.612	72%	0.717	S	S	*	*			cis	-153.5	-94.2	-6.9	-162.9	-180	97.7	0	0	112.5	K474	K474-Q476 PolarHBondContact NZ-O 2.03Å
477	K	25.8	Very low	24.1	Very low	150 Å²	150	145 Å²	145	65%	0.652	72%	0.716	S	S	*	*			trans	-71	173.6	-162.6	-79.1	-167.5	166.8	72.4	0	115.7
478	Q	22.1	Very low	24.1	Very low	147 Å²	147	145.8 Å²	145.8	69%	0.687	72%	0.723	S	S	*	*			cis	-171.1	138.7	-29.9	175.4	170.8	-10.8	0	0	107
479	L	22.4	Very low	24	Very low	133 Å²	133	144.3 Å²	144.3	70%	0.696	72%	0.724	S	S	*	*			cis	104.4	85.5	7.8	-160.6	80.2	0	0	0	116
480	D	23.9	Very low	23.9	Very low	125 Å²	125	147.2 Å²	147.2	67%	0.668	73%	0.733	S	S	*	*			trans	66.1	172.7	137.1	-53.9	-11.5	0	0	0	118.6
481	F	21.1	Very low	23.7	Very low	194 Å²	194	149.8 Å²	149.8	85%	0.851	75%	0.746	S	S	*	*			cis	-155.5	-168.4	35.5	-143.5	-95.4	0	0	0	115.5
482	H	20.7	Very low	24	Very low	146 Å²	146	147 Å²	147	68%	0.676	74%	0.744	S	S	*	*			trans	-111.1	126.7	-168.6	176.4	85.7	0	0	0	114.1
483	V	23.2	Very low	23.8	Very low	106 Å²	106	146.2 Å²	146.2	64%	0.642	75%	0.747	S	S	*	*			trans	45.7	126.3	143.4	179.2	0	0	0	0	120.5
484	L	22.1	Very low	23.8	Very low	149 Å²	149	143.7 Å²	143.7	78%	0.78	75%	0.75	S	S	*	*				-178.4	149.8	125.1	-96.7	162.1	0	0	0	114.8
485	W	19.6	Very low	23.8	Very low	214 Å²	214	144.8 Å²	144.8	81%	0.811	76%	0.756	S	S	*	*			trans	68.7	152	162.8	-83.4	70.3	0	0	0	124.1
486	K	22.8	Very low	23.3	Very low	185 Å²	185	145.1 Å²	145.1	80%	0.804	76%	0.757	S	S	*	*			trans	-113.1	154.3	166.5	-62.5	178.9	175.4	-175.2	0	108.3
487	Q	22.6	Very low	23.2	Very low	175 Å²	175	145.1 Å²	145.1	82%	0.818	77%	0.766	S	S	*	*				165.9	126.6	122.9	-96.1	174.3	-24.8	0	0	111.4
488	A	22.8	Very low	23	Very low	113 Å²	113	144 Å²	144	93%	0.934	77%	0.772	S	S	*	*			trans	171.2	162.5	148.7	0	0	0	0	0	109.3
489	G	22	Very low	23.2	Very low	70 Å²	70	145.8 Å²	145.8	72%	0.722	78%	0.78	S	S	*	*			trans	167.9	147.7	167	0	0	0	0	0	111.8
490	Q	23.7	Very low	23.3	Very low	204 Å²	204	150.6 Å²	150.6	95%	0.953	79%	0.789	S	S	*	*			trans	-159.2	174.3	165	-115	168	24.7	0	0	111.7
491	Q	23	Very low	23.4	Very low	184 Å²	184	152.8 Å²	152.8	86%	0.86	80%	0.799	S	S	*	*			trans	-100.9	-165	-168.4	-114.3	-179.2	8.7	0	0	110.8
492	P	33.1	Very low	23.5	Very low	107 Å²	107	154.2 Å²	154.2	70%	0.695	80%	0.799	S	S	*	*			cis	-124.1	-155.9	11.8	41	-19.9	0	0	0	112
493	L	22.5	Very low	23.6	Very low	154 Å²	154	151.2 Å²	151.2	81%	0.806	80%	0.799	S	S	*	*			cis	-153.2	162.6	2.8	-160.7	129.1	0	0	0	110.5
494	G	22.4	Very low	23.6	Very low	65 Å²	65	154.3 Å²	154.3	67%	0.67	81%	0.806	S	S	*	*			trans	159.1	114.2	164	0	0	0	0	0	114.8
495	H	25.1	Very low	23.7	Very low	173 Å²	173	154.3 Å²	154.3	80%	0.801	81%	0.807	S	S	*	*			trans	-85.4	169.9	169.7	-68.2	-134.6	0	0	0	109.3
496	T	22.5	Very low	24.1	Very low	123 Å²	123	150.9 Å²	150.9	76%	0.755	81%	0.81	S	S	*	*			cis	-155.3	179.8	23.9	-29.8	0	0	0	0	106.6
497	T	23.9	Very low	24	Very low	130 Å²	130	149.4 Å²	149.4	80%	0.798	81%	0.81	S	S	*	*			cis	-156.3	163.1	17.7	-44.8	0	0	0	0	111.4
498	T	22.5	Very low	24.1	Very low	127 Å²	127	146.4 Å²	146.4	78%	0.779	80%	0.803	S	S	*	*			trans	-77.2	147.5	175	-30.1	0	0	0	0	114.1
499	Q	25.5	Very low	24.1	Very low	184 Å²	184	149.8 Å²	149.8	86%	0.86	80%	0.797	S	S	*	*				176.6	176.5	119.8	-96.5	-167.6	12.5	0	0	115.3
500	R	24.5	Very low	24.3	Very low	234 Å²	234	152.7 Å²	152.7	88%	0.883	80%	0.796	S	S	*	*			trans	-143.3	123.9	-161.4	167.9	-159.6	-166.6	-179.1	6.9	109
501	I	25.2	Very low	24.4	Very low	171 Å²	171	149.5 Å²	149.5	88%	0.877	79%	0.785	S	S	*	*			trans	-151.5	178.6	171.7	-110	154.1	0	0	0	111.7
502	R	23.9	Very low	24.4	Very low	225 Å²	225	147.8 Å²	147.8	85%	0.849	78%	0.777	S	S	*	*			trans	-135.2	130.3	-146.5	171.5	-174.9	-178.2	165.7	-0	112.9
503	A	22.8	Very low	24.2	Very low	83 Å²	83	150.2 Å²	150.2	69%	0.686	78%	0.777	S	S	*	*			trans	58	171.6	149	0	0	0	0	0	122.2
504	E	23.9	Very low	24.4	Very low	170 Å²	170	150.8 Å²	150.8	79%	0.794	78%	0.776	S	S	*	*			trans	78.4	93	156.2	-75.7	163.2	-148.7	0	0	122.2
505	N	24.5	Very low	24.6	Very low	150 Å²	150	155.6 Å²	155.6	80%	0.802	78%	0.784	S	S	*	*				40.2	116.3	110.8	-60.1	-12.7	0	0	0	121.2
506	V	26	Very low	24.7	Very low	142 Å²	142	152.9 Å²	152.9	86%	0.861	78%	0.78	S	S	*	*			trans	-140.1	115.4	150.4	177.1	0	0	0	0	105.2
507	L	22.2	Very low	24.7	Very low	154 Å²	154	156.2 Å²	156.2	81%	0.806	78%	0.784	S	S	*	*			cis	77.1	116.6	31.5	-157.1	82.2	0	0	0	113.4
508	V	23.7	Very low	24.9	Very low	112 Å²	112	156.2 Å²	156.2	68%	0.679	78%	0.778	S	S	*	*			cis	-167.1	-178.8	-19.7	90.6	0	0	0	0	108.2
509	K	23.1	Very low	25.1	Very low	183 Å²	183	158.5 Å²	158.5	80%	0.796	78%	0.784	S	S	*	*			trans	94.8	133.3	174.4	-55.4	-178.5	-177.1	-179.4	0	114.3
510	N	26.3	Very low	25.5	Very low	131 Å²	131	155.2 Å²	155.2	70%	0.701	78%	0.777	S	S	*	*			cis	126.1	156.1	3.1	-87.5	22.2	0	0	0	109.4
511	D	25.3	Very low	26	Very low	138 Å²	138	151.5 Å²	151.5	74%	0.738	78%	0.775	S	S	*	*			trans	75.9	137.1	166.5	-51.8	-38.7	0	0	0	115.9
512	E	24.7	Very low	26.2	Very low	147 Å²	147	153.1 Å²	153.1	69%	0.687	78%	0.776	S	S	*	*			cis	-147.6	-174.8	-2.5	-131.5	-163.2	153.5	0	0	115.5
513	K	28.6	Very low	26.5	Very low	159 Å²	159	148.2 Å²	148.2	69%	0.691	78%	0.776	S	S	*	*			trans	-82.6	149.5	-167.1	-38.1	109.1	-174.2	174	0	112.6
514	Q	26.3	Very low	26.9	Very low	166 Å²	166	150.8 Å²	150.8	78%	0.776	77%	0.772	S	S	*	*				165.7	116	111.6	-87.9	-133.3	65.9	0	0	113.2
515	I	25.1	Very low	27.5	Very low	165 Å²	165	146.6 Å²	146.6	85%	0.846	76%	0.761	S	S	*	*				-150.9	107.4	120.9	-58.1	-169.2	0	0	0	106.7
516	T	27.5	Very low	28.5	Very low	117 Å²	117	143.5 Å²	143.5	72%	0.718	75%	0.751	S	S	*	*			trans	-139.6	84.8	176.1	-51.3	0	0	0	0	111.7
517	F	22.8	Very low	29.7	Very low	193 Å²	193	140.2 Å²	140.2	85%	0.846	74%	0.735	S	S	*	*			trans	-166.3	126.4	163.5	-129.8	-124.3	0	0	0	106.3
518	I	27.8	Very low	30.9	Very low	130 Å²	130	135.5 Å²	135.5	67%	0.667	71%	0.71	S	S	*	*	S	Bend	cis	-136.5	141.5	0.8	-61.1	170.4	0	0	0	107.4
519	L	28.4	Very low	32.3	Very low	174 Å²	174	132 Å²	132	91%	0.911	69%	0.687	S	S	*	*			trans	166.6	60.1	147.1	-93.1	167.4	0	0	0	111.2
520	T	32.5	Very low	34.1	Very low	116 Å²	116	127.3 Å²	127.3	71%	0.712	67%	0.669	S	S	*	*			trans	-82.8	157.4	171.6	36	0	0	0	0	112.1
521	N	34.3	Very low	35.7	Very low	155 Å²	155	125.4 Å²	125.4	83%	0.829	66%	0.658	S	S	*	*			trans	71	67.5	160.1	-57.8	-12.8	0	0	0	119
522	K	29.8	Very low	37.4	Very low	206 Å²	206	119.9 Å²	119.9	90%	0.896	63%	0.628	S	S	*	*				-145.2	106.1	125	-136.3	164.3	-174	169.9	0	112	F524	K522-F524 PolarHBondContact O-N 3.07Å
523	S	30.6	Very low	39.9	Very low	121 Å²	121	112.9 Å²	112.9	85%	0.846	60%	0.596	S	S	*	*			trans	-68.3	108	175.6	36	0	0	0	0	110.3	S525	S523-S525 PolarHBondContact O-N 2.96Å
524	F	30.8	Very low	42.1	Very low	137 Å²	137	110.7 Å²	110.7	60%	0.601	58%	0.583	S	S	*	*			trans	-69.6	119.5	175.6	-157.4	-81	0	0	0	109.1	K522 S526	K522-F524 PolarHBondContact O-N 3.07Å; F524-S526 PolarHBondContact O-N 3.1Å
525	S	37.8	Very low	44.5	Very low	83 Å²	83	103.3 Å²	103.3	58%	0.58	55%	0.55	S	S	*	.			trans	-76.5	58.5	-169.4	51.3	0	0	0	0	113.8	S523 S527	S523-S525 PolarHBondContact O-N 2.96Å; S525-S527 VanDerWaalsContact C-N 3.28Å; S525-S527 PolarHBondContact O-N 2.76Å
526	S	45.3	Very low	47.2	Very low	84 Å²	84	95.4 Å²	95.4	59%	0.587	51%	0.509	S	S	*	.	H	α-helix	trans	-73	-8.6	-167	-166.3	0	0	0	0	115.7	F524	F524-S526 PolarHBondContact O-N 3.1Å
527	S	51.5	Low	49.8	Very low	74 Å²	74	95 Å²	95	52%	0.517	50%	0.498	S	S	.	.	H	α-helix	trans	-70.7	-46.5	-179	49.7	0	0	0	0	113.1	S525 L531	S525-S527 VanDerWaalsContact C-N 3.28Å; S525-S527 PolarHBondContact O-N 2.76Å; S527-L531 PolarHBondContact O-N 2.77Å
528	D	47.5	Very low	52.7	Low	55 Å²	55	89.9 Å²	89.9	29%	0.294	48%	0.476	S	S	.	.	H	α-helix	trans	-85	-38.3	-162	-71	28.5	0	0	0	111.6	E530 L531 L532 K581	D528-E530 VanDerWaalsContact C-N 3.26Å; D528-E530 PolarHBondContact O-N 2.86Å; D528-L531 WeakPolarHBondContact O-CB 3.49Å; D528-L531 PolarHBondContact O-N 3.07Å; D528-L532 PolarHBondContact O-N 3.5Å; D528-K581 WeakPolarHBondContact OD2-CD 3.25Å; D528-K581 WeakPolarHBondContact OD2-CE 3.42Å; D528-K581 IonicContact OD2-NZ 3.39Å; D528-K581 PolarHBondContact OD2-NZ 2.74Å
529	N	52.5	Low	55.5	Low	37 Å²	37	83.7 Å²	83.7	20%	0.198	44%	0.444	C	S	.	.	H	α-helix	trans	-65.4	-29.4	178.5	-74.8	6.9	0	0	0	112	L532 Q661 D665	N529-L532 WeakPolarHBondContact O-CB 3.45Å; N529-Q661 HydrophobicContact CB-CG 3.8Å; N529-Q661 WeakPolarHBondContact ND2-CG 3.47Å; N529-Q661 PolarHBondContact ND2-NE2 3.06Å; N529-D665 VanDerWaalsContact ND2-CG 3.26Å; N529-D665 PolarHBondContact ND2-OD1 3.45Å; N529-D665 PolarHBondContact ND2-OD2 3.48Å
530	E	60.3	Low	58.3	Low	86 Å²	86	75.9 Å²	75.9	40%	0.402	40%	0.404	S	S	.	.	H	α-helix	trans	-74.4	-46.1	173.2	-148.9	-142.1	122.1	0	0	111.3	D528 L532 C533 R534	D528-E530 VanDerWaalsContact C-N 3.26Å; D528-E530 PolarHBondContact O-N 2.86Å; E530-L532 PolarHBondContact O-N 2.81Å; E530-C533 PolarHBondContact O-N 2.65Å; E530-R534 VanDerWaalsContact O-CB 3.31Å; E530-R534 WeakPolarHBondContact O-CB 3.01Å; E530-R534 PolarHBondContact O-N 2.99Å; E530-R534 IonicContact OE1-CZ 3.32Å; E530-R534 VanDerWaalsContact OE1-CZ 3.25Å; E530-R534 IonicContact OE1-NE 3.18Å; E530-R534 PolarHBondContact OE1-NE 3.27Å; E530-R534 IonicContact OE1-NH2 3.22Å; E530-R534 PolarHBondContact OE1-NH2 2.83Å; E530-R534 IonicContact OE2-NH2 3.19Å; E530-R534 PolarHBondContact OE2-NH2 2.73Å
531	L	59.4	Low	60.8	Low	91 Å²	91	75 Å²	75	48%	0.476	39%	0.394	S	S	.	.	H	α-helix	trans	-51.9	-42.3	173.2	-107.6	79	0	0	0	111.9	S527 D528 C533 R534	S527-L531 PolarHBondContact O-N 2.77Å; D528-L531 WeakPolarHBondContact O-CB 3.49Å; D528-L531 PolarHBondContact O-N 3.07Å; L531-C533 PolarHBondContact O-N 2.86Å; L531-R534 PolarHBondContact O-N 2.75Å
532	L	62.6	Low	63.5	Low	22 Å²	22	67.9 Å²	67.9	12%	0.115	36%	0.357	C	S	.	.	H	α-helix	trans	-50.4	-52.8	-179.5	-131.7	88.7	0	0	0	112.2	D528 N529 E530 S535 S583	D528-L532 PolarHBondContact O-N 3.5Å; N529-L532 WeakPolarHBondContact O-CB 3.45Å; E530-L532 PolarHBondContact O-N 2.81Å; L532-S535 PolarHBondContact O-OG 2.87Å; L532-S583 WeakPolarHBondContact CD1-OG 3.44Å; L532-S583 WeakPolarHBondContact CG-OG 3.03Å
533	C	75.4	Confident	66.4	Low	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-89.3	-22.5	-174.6	-66.7	0	0	0	0	113.6	E530 L531 S535 L536 H654 C657 L658	E530-C533 PolarHBondContact O-N 2.65Å; L531-C533 PolarHBondContact O-N 2.86Å; C533-S535 PolarHBondContact O-N 3.46Å; C533-S535 VanDerWaalsContact O-N 3.13Å; C533-L536 WeakPolarHBondContact O-CB 3.46Å; C533-L536 PolarHBondContact O-N 3.45Å; C533-H654 PolarHBondContact O-CD2 3.35Å; C533-C657 WeakPolarHBondContact CA-SG 3.5Å; C533-C657 HydrophobicContact CB-CB 3.71Å; C533-C657 WeakPolarHBondContact CB-SG 3.22Å; C533-C657 WeakPolarHBondContact SG-CB 3.1Å; C533-C657 CovalentContact SG-SG 2.04Å; C533-C657 PolarHBondContact SG-SG 3.38Å; C533-L658 HydrophobicContact CB-CD2 3.75Å; C533-L658 HydrophobicContact CB-CG 3.92Å; C533-L658 PolarHBondContact SG-N 2.91Å; C533-L658 VanDerWaalsContact SG-N 3.42Å
534	R	76.1	Confident	69.3	Low	112 Å²	112	63.3 Å²	63.3	42%	0.423	32%	0.322	S	S	.	.	H	α-helix	trans	-52.7	-36.3	-177.4	-164	178.8	-75	167.6	-8.1	112.7	E530 L531 L536 K537	E530-R534 VanDerWaalsContact O-CB 3.31Å; E530-R534 WeakPolarHBondContact O-CB 3.01Å; E530-R534 PolarHBondContact O-N 2.99Å; E530-R534 IonicContact OE1-CZ 3.32Å; E530-R534 VanDerWaalsContact OE1-CZ 3.25Å; E530-R534 IonicContact OE1-NE 3.18Å; E530-R534 PolarHBondContact OE1-NE 3.27Å; E530-R534 IonicContact OE1-NH2 3.22Å; E530-R534 PolarHBondContact OE1-NH2 2.83Å; E530-R534 IonicContact OE2-NH2 3.19Å; E530-R534 PolarHBondContact OE2-NH2 2.73Å; L531-R534 PolarHBondContact O-N 2.75Å; R534-L536 VanDerWaalsContact C-N 3.29Å; R534-L536 PolarHBondContact O-N 2.67Å; R534-K537 VanDerWaalsContact O-CB 3.22Å; R534-K537 WeakPolarHBondContact O-CB 3.41Å; R534-K537 PolarHBondContact O-N 3.39Å; R534-K537 VanDerWaalsContact O-N 3.13Å
535	S	75.7	Confident	72.2	Confident	11 Å²	11	59.3 Å²	59.3	8%	0.077	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-39.6	174.3	60.1	0	0	0	0	114.3	L532 C533 K537 H538	L532-S535 PolarHBondContact O-OG 2.87Å; C533-S535 PolarHBondContact O-N 3.46Å; C533-S535 VanDerWaalsContact O-N 3.13Å; S535-K537 PolarHBondContact O-N 3.42Å; S535-H538 PolarHBondContact O-N 2.67Å
536	L	82.3	Confident	74.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16	-177.2	-68.1	171.7	0	0	0	113.8	C533 R534 H538 L539 D540 P584 L588 L589 L653 H654 C657	C533-L536 WeakPolarHBondContact O-CB 3.46Å; C533-L536 PolarHBondContact O-N 3.45Å; R534-L536 VanDerWaalsContact C-N 3.29Å; R534-L536 PolarHBondContact O-N 2.67Å; L536-H538 PolarHBondContact O-N 3.43Å; L536-L539 PolarHBondContact O-N 3.03Å; L536-L539 VanDerWaalsContact O-N 3.09Å; L536-D540 PolarHBondContact O-N 2.87Å; L536-P584 HydrophobicContact CD1-CB 3.86Å; L536-P584 HydrophobicContact CD1-CG 4.19Å; L536-P584 HydrophobicContact CD2-CB 4.4Å; L536-P584 HydrophobicContact CD2-CG 3.82Å; L536-P584 HydrophobicContact CG-CB 3.97Å; L536-P584 HydrophobicContact CG-CG 3.9Å; L536-L588 HydrophobicContact CD1-CD1 4.42Å; L536-L588 HydrophobicContact CD1-CD2 4Å; L536-L588 HydrophobicContact CD2-CD2 4.45Å; L536-L589 HydrophobicContact CD2-CD1 4.44Å; L536-L589 HydrophobicContact CD2-CD2 3.57Å; L536-L589 HydrophobicContact CD2-CG 4.07Å; L536-L653 HydrophobicContact CB-CB 4.24Å; L536-L653 HydrophobicContact CD1-CB 4.36Å; L536-L653 HydrophobicContact CD2-CB 4.45Å; L536-H654 HydrophobicContact CB-CB 4.22Å; L536-C657 HydrophobicContact CD1-CB 3.5Å
537	K	82.8	Confident	76.5	Confident	109 Å²	109	53.9 Å²	53.9	47%	0.474	27%	0.265	S	S	.	.	H	α-helix	trans	-56.5	-35.5	178.8	-172.6	176.7	177.3	-174.2	0	111.8	R534 S535 L539 D540 D541	R534-K537 VanDerWaalsContact O-CB 3.22Å; R534-K537 WeakPolarHBondContact O-CB 3.41Å; R534-K537 PolarHBondContact O-N 3.39Å; R534-K537 VanDerWaalsContact O-N 3.13Å; S535-K537 PolarHBondContact O-N 3.42Å; K537-L539 VanDerWaalsContact C-N 3.26Å; K537-L539 PolarHBondContact O-N 3.4Å; K537-D540 PolarHBondContact O-N 2.97Å; K537-D540 VanDerWaalsContact O-N 3.12Å; K537-D541 WeakPolarHBondContact CE-OD2 3.41Å; K537-D541 VanDerWaalsContact CG-OD2 3.28Å; K537-D541 WeakPolarHBondContact CG-OD2 3.45Å; K537-D541 PolarHBondContact O-N 2.9Å
538	H	82.5	Confident	78.1	Confident	84 Å²	84	51.7 Å²	51.7	39%	0.389	25%	0.249	S	C	.	.	H	α-helix	trans	-64.7	-24.4	179.6	-66.2	-78.9	0	0	0	114.2	S535 L536 C542 Q575	S535-H538 PolarHBondContact O-N 2.67Å; L536-H538 PolarHBondContact O-N 3.43Å; H538-C542 WeakPolarHBondContact O-CB 3.47Å; H538-C542 PolarHBondContact O-N 3.22Å; H538-Q575 PolarHBondContact CD2-NE2 2.84Å; H538-Q575 VanDerWaalsContact CD2-NE2 3.27Å; H538-Q575 PolarHBondContact CD2-OE1 3.19Å; H538-Q575 PolarHBondContact NE2-NE2 3.11Å
539	L	87.2	Confident	79.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-82.5	-39.2	170.6	-65.7	-173.3	0	0	0	111.8	L536 K537 D541 C542 K545 Y564 C568 L572 L589 V593 L653	L536-L539 PolarHBondContact O-N 3.03Å; L536-L539 VanDerWaalsContact O-N 3.09Å; K537-L539 VanDerWaalsContact C-N 3.26Å; K537-L539 PolarHBondContact O-N 3.4Å; L539-D541 VanDerWaalsContact C-N 3.31Å; L539-D541 PolarHBondContact O-N 2.95Å; L539-C542 VanDerWaalsContact O-CB 3.26Å; L539-C542 WeakPolarHBondContact O-CB 3.44Å; L539-C542 PolarHBondContact O-N 2.88Å; L539-K545 PolarHBondContact O-NZ 3.34Å; L539-Y564 HydrophobicContact CB-CD1 4.19Å; L539-Y564 HydrophobicContact CB-CE1 3.74Å; L539-Y564 HydrophobicContact CD1-CE2 4.45Å; L539-Y564 HydrophobicContact CD2-CD1 3.95Å; L539-Y564 HydrophobicContact CD2-CD2 4.48Å; L539-Y564 HydrophobicContact CD2-CE1 4.34Å; L539-Y564 HydrophobicContact CD2-CG 4.03Å; L539-Y564 HydrophobicContact CG-CE1 4.48Å; L539-Y564 VanDerWaalsContact O-CE1 3.27Å; L539-Y564 WeakPolarHBondContact O-CE1 3.28Å; L539-C568 HydrophobicContact CD2-CB 4.13Å; L539-L572 HydrophobicContact CD1-CD2 3.59Å; L539-L572 HydrophobicContact CD2-CD2 4.36Å; L539-L572 HydrophobicContact CG-CD2 3.91Å; L539-L589 HydrophobicContact CD1-CD2 4.02Å; L539-V593 HydrophobicContact CD1-CG2 3.78Å; L539-L653 HydrophobicContact CB-CD1 4.03Å; L539-L653 HydrophobicContact CD1-CD1 3.8Å
540	D	86.3	Confident	80.8	Confident	11 Å²	11	55 Å²	55	6%	0.059	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-39.7	179	-76.2	-14.3	0	0	0	112.4	L536 K537 K545 R652 L653 H654	L536-D540 PolarHBondContact O-N 2.87Å; K537-D540 PolarHBondContact O-N 2.97Å; K537-D540 VanDerWaalsContact O-N 3.12Å; D540-K545 PolarHBondContact O-NZ 2.84Å; D540-R652 VanDerWaalsContact CG-CA 3.49Å; D540-R652 VanDerWaalsContact OD1-CA 3.29Å; D540-R652 WeakPolarHBondContact OD1-CA 3.31Å; D540-R652 VanDerWaalsContact OD2-CA 3.27Å; D540-R652 WeakPolarHBondContact OD2-CA 3.27Å; D540-R652 VanDerWaalsContact OD2-CB 3.29Å; D540-R652 WeakPolarHBondContact OD2-CB 3.4Å; D540-L653 PolarHBondContact OD1-N 3.33Å; D540-L653 PolarHBondContact OD2-N 3.43Å; D540-H654 VanDerWaalsContact OD2-CB 3.24Å; D540-H654 WeakPolarHBondContact OD2-CB 3.43Å; D540-H654 PolarHBondContact OD2-N 3.21Å
541	D	87	Confident	82	Confident	96 Å²	96	57.9 Å²	57.9	51%	0.513	28%	0.281	S	S	.	.	S	Bend	trans	-90	-4.7	179.3	-61.9	-21.3	0	0	0	112.8	K537 L539 K543	K537-D541 WeakPolarHBondContact CE-OD2 3.41Å; K537-D541 VanDerWaalsContact CG-OD2 3.28Å; K537-D541 WeakPolarHBondContact CG-OD2 3.45Å; K537-D541 PolarHBondContact O-N 2.9Å; L539-D541 VanDerWaalsContact C-N 3.31Å; L539-D541 PolarHBondContact O-N 2.95Å; D541-K543 PolarHBondContact O-N 3.44Å; D541-K543 VanDerWaalsContact O-N 3.1Å
542	C	90.2	Very high	83.2	Confident	7 Å²	7	58.4 Å²	58.4	5%	0.047	28%	0.279	C	S	.	.			trans	-57.3	114.7	176.2	-177.3	0	0	0	0	111.6	H538 L539 F544 K545 Y564 C568	H538-C542 WeakPolarHBondContact O-CB 3.47Å; H538-C542 PolarHBondContact O-N 3.22Å; L539-C542 VanDerWaalsContact O-CB 3.26Å; L539-C542 WeakPolarHBondContact O-CB 3.44Å; L539-C542 PolarHBondContact O-N 2.88Å; C542-F544 PolarHBondContact O-N 2.7Å; C542-F544 PolarHBondContact SG-O 3.16Å; C542-K545 PolarHBondContact O-NZ 3.24Å; C542-Y564 HydrophobicContact CB-CD1 4.11Å; C542-C568 HydrophobicContact CB-CB 3.79Å; C542-C568 WeakPolarHBondContact CB-SG 3.35Å; C542-C568 WeakPolarHBondContact SG-CB 3.48Å; C542-C568 CovalentContact SG-SG 2.04Å; C542-C568 PolarHBondContact SG-SG 3.44Å
543	K	90.3	Very high	84.3	Confident	168 Å²	168	61.2 Å²	61.2	73%	0.73	29%	0.289	S	S	*	.	S	Bend	trans	-58.2	-33.3	-177.4	-177.5	175.4	179	177.7	0	113.6	D541 Y553	D541-K543 PolarHBondContact O-N 3.44Å; D541-K543 VanDerWaalsContact O-N 3.1Å; K543-Y553 PolarHBondContact O-OH 2.78Å
544	F	91.1	Very high	84.5	Confident	62 Å²	62	68.4 Å²	68.4	27%	0.272	33%	0.327	S	S	.	.			trans	-114.4	101.7	-172	-59.9	-58.2	0	0	0	110.4	C542 Y553 H565 F598 L600	C542-F544 PolarHBondContact O-N 2.7Å; C542-F544 PolarHBondContact SG-O 3.16Å; F544-Y553 HydrophobicContact CD1-CD1 4.43Å; F544-Y553 AromaticContact CD1-CE1 3.78Å; F544-Y553 HydrophobicContact CD1-CE1 3.78Å; F544-Y553 AromaticContact CD1-CZ 3.9Å; F544-Y553 HydrophobicContact CE1-CE1 4.29Å; F544-H565 HydrophobicContact CB-CB 3.86Å; F544-H565 PolarHBondContact O-N 3.5Å; F544-F598 HydrophobicContact CB-CE2 4.34Å; F544-F598 HydrophobicContact CB-CZ 3.97Å; F544-L600 HydrophobicContact CD1-CD1 3.81Å; F544-L600 HydrophobicContact CD2-CD1 3.99Å; F544-L600 HydrophobicContact CE1-CD1 3.68Å; F544-L600 HydrophobicContact CE2-CD1 3.87Å; F544-L600 HydrophobicContact CG-CD1 3.96Å; F544-L600 HydrophobicContact CZ-CD1 3.7Å
545	K	91.7	Very high	84.7	Confident	54 Å²	54	64.1 Å²	64.1	24%	0.235	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	142.3	177.7	46	169.4	158.7	-83.4	0	112.6	L539 D540 C542 T562 A563 Y564	L539-K545 PolarHBondContact O-NZ 3.34Å; D540-K545 PolarHBondContact O-NZ 2.84Å; C542-K545 PolarHBondContact O-NZ 3.24Å; K545-T562 HydrophobicContact CB-CG2 4.27Å; K545-A563 CarbonylContact C-O 3.57Å; K545-A563 WeakPolarHBondContact CA-O 3.28Å; K545-Y564 HydrophobicContact CB-CD1 3.84Å; K545-Y564 HydrophobicContact CB-CE1 4.13Å; K545-Y564 HydrophobicContact CB-CG 4.41Å; K545-Y564 HydrophobicContact CD-CD1 4.3Å; K545-Y564 HydrophobicContact CD-CE1 3.82Å
546	I	87.4	Confident	85	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	111.2	-178.1	-45.3	-179.9	0	0	0	108.2	A550 K552 Y553 L555 N557 A563 F598 F616	I546-A550 HydrophobicContact CG2-CB 4.32Å; I546-A550 WeakPolarHBondContact CG2-O 3.49Å; I546-K552 HydrophobicContact CG1-CB 4.22Å; I546-K552 HydrophobicContact CG2-CB 4.29Å; I546-Y553 HydrophobicContact CD1-CD2 4.16Å; I546-Y553 HydrophobicContact CG1-CD2 3.94Å; I546-Y553 HydrophobicContact CG1-CE2 4.06Å; I546-L555 HydrophobicContact CD1-CB 3.71Å; I546-L555 HydrophobicContact CD1-CD1 4.38Å; I546-N557 HydrophobicContact CB-CB 4.03Å; I546-N557 HydrophobicContact CG2-CB 3.55Å; I546-N557 PolarHBondContact O-ND2 2.83Å; I546-A563 PolarHBondContact N-O 2.96Å; I546-A563 PolarHBondContact O-N 2.82Å; I546-F598 HydrophobicContact CD1-CD1 4.05Å; I546-F598 HydrophobicContact CD1-CD2 4.3Å; I546-F598 HydrophobicContact CD1-CE1 3.98Å; I546-F598 HydrophobicContact CD1-CE2 4.22Å; I546-F598 HydrophobicContact CD1-CG 4.21Å; I546-F598 HydrophobicContact CD1-CZ 4.06Å; I546-F598 HydrophobicContact CG1-CD1 4.19Å; I546-F598 HydrophobicContact CG1-CE1 3.67Å; I546-F598 HydrophobicContact CG1-CE2 4.4Å; I546-F598 HydrophobicContact CG1-CZ 3.78Å; I546-F616 HydrophobicContact CD1-CE1 4.31Å; I546-F616 HydrophobicContact CD1-CZ 3.98Å
547	P	86.1	Confident	85.2	Confident	53 Å²	53	66.4 Å²	66.4	34%	0.344	33%	0.326	S	S	.	.			trans	-57.4	163	175.6	-25	34.8	0	0	0	113	L549 A550 N557	P547-L549 PolarHBondContact O-N 2.72Å; P547-A550 HydrophobicContact CB-CB 4.01Å; P547-A550 HydrophobicContact CG-CB 4.34Å; P547-A550 WeakPolarHBondContact O-CB 3.26Å; P547-A550 PolarHBondContact O-N 2.94Å; P547-N557 WeakPolarHBondContact O-CB 3.42Å; P547-N557 PolarHBondContact O-ND2 3.33Å; P547-N557 VanDerWaalsContact O-ND2 3.11Å
548	P	84.9	Confident	85.1	Confident	28 Å²	28	68.1 Å²	68.1	18%	0.182	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	137.4	172.4	-25.5	35.1	0	0	0	112.3	A550 K559 S560 I649	P548-A550 PolarHBondContact O-N 2.86Å; P548-K559 WeakPolarHBondContact CA-O 3.46Å; P548-K559 WeakPolarHBondContact CB-O 3.3Å; P548-S560 WeakPolarHBondContact CG-O 3.5Å; P548-I649 HydrophobicContact CG-CD1 3.86Å; P548-I649 HydrophobicContact CG-CG1 4.06Å
549	L	81.1	Confident	85	Confident	133 Å²	133	69.2 Å²	69.2	70%	0.696	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	15.7	178.7	-50.4	179.9	0	0	0	115.1	P547 N557	P547-L549 PolarHBondContact O-N 2.72Å; L549-N557 WeakPolarHBondContact CA-O 3.12Å; L549-N557 PolarHBondContact N-O 2.94Å
550	A	76.3	Confident	84.5	Confident	27 Å²	27	73.7 Å²	73.7	22%	0.223	37%	0.373	C	S	.	.			trans	-101.7	151.2	-179.6	0	0	0	0	0	112.5	I546 P547 P548 N557	I546-A550 HydrophobicContact CG2-CB 4.32Å; I546-A550 WeakPolarHBondContact CG2-O 3.49Å; P547-A550 HydrophobicContact CB-CB 4.01Å; P547-A550 HydrophobicContact CG-CB 4.34Å; P547-A550 WeakPolarHBondContact O-CB 3.26Å; P547-A550 PolarHBondContact O-N 2.94Å; P548-A550 PolarHBondContact O-N 2.86Å; A550-N557 PolarHBondContact O-N 2.88Å
551	K	84.8	Confident	84.5	Confident	148 Å²	148	75.9 Å²	75.9	64%	0.643	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.4	170.3	-173.3	176.8	-179.1	-177.6	0	110.2	L555 T556	K551-L555 CarbonylContact C-O 3.58Å; K551-L555 WeakPolarHBondContact CA-O 3.14Å; K551-T556 HydrophobicContact CB-CG2 4.46Å; K551-T556 WeakPolarHBondContact CG-OG1 3.43Å
552	K	85.1	Confident	84.6	Confident	101 Å²	101	71.9 Å²	71.9	44%	0.439	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151.7	173.7	-70.3	-165.1	174	-166.4	0	110.3	I546 N554 L555	I546-K552 HydrophobicContact CG1-CB 4.22Å; I546-K552 HydrophobicContact CG2-CB 4.29Å; K552-N554 PolarHBondContact O-N 3.03Å; K552-L555 PolarHBondContact N-O 3.35Å; K552-L555 PolarHBondContact O-N 3.46Å
553	Y	86	Confident	84.7	Confident	82 Å²	82	71.5 Å²	71.5	32%	0.322	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	35.1	178.6	-35.4	-73.9	0	0	0	113	K543 F544 I546 L555 F598 L600	K543-Y553 PolarHBondContact O-OH 2.78Å; F544-Y553 HydrophobicContact CD1-CD1 4.43Å; F544-Y553 AromaticContact CD1-CE1 3.78Å; F544-Y553 HydrophobicContact CD1-CE1 3.78Å; F544-Y553 AromaticContact CD1-CZ 3.9Å; F544-Y553 HydrophobicContact CE1-CE1 4.29Å; I546-Y553 HydrophobicContact CD1-CD2 4.16Å; I546-Y553 HydrophobicContact CG1-CD2 3.94Å; I546-Y553 HydrophobicContact CG1-CE2 4.06Å; Y553-L555 PolarHBondContact O-N 2.99Å; Y553-L555 VanDerWaalsContact O-N 3.12Å; Y553-F598 AromaticContact CD2-CE2 3.88Å; Y553-F598 HydrophobicContact CD2-CE2 3.88Å; Y553-F598 AromaticContact CD2-CZ 3.97Å; Y553-F598 HydrophobicContact CD2-CZ 3.97Å; Y553-F598 HydrophobicContact CE2-CE2 4.3Å; Y553-F598 AromaticContact CE2-CZ 3.97Å; Y553-F598 HydrophobicContact CE2-CZ 3.97Å; Y553-L600 HydrophobicContact CD1-CD2 4.15Å; Y553-L600 HydrophobicContact CD2-CD2 4.35Å; Y553-L600 HydrophobicContact CG-CD2 3.77Å
554	N	79.3	Confident	84.8	Confident	150 Å²	150	64.1 Å²	64.1	80%	0.802	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	9	-171.5	-62.1	-25.9	0	0	0	116.5	K552	K552-N554 PolarHBondContact O-N 3.03Å
555	L	80.4	Confident	85	Confident	23 Å²	23	62.1 Å²	62.1	12%	0.12	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.8	174.7	-62.3	175.4	0	0	0	111.1	I546 K551 K552 Y553 F598 F616	I546-L555 HydrophobicContact CD1-CB 3.71Å; I546-L555 HydrophobicContact CD1-CD1 4.38Å; K551-L555 CarbonylContact C-O 3.58Å; K551-L555 WeakPolarHBondContact CA-O 3.14Å; K552-L555 PolarHBondContact N-O 3.35Å; K552-L555 PolarHBondContact O-N 3.46Å; Y553-L555 PolarHBondContact O-N 2.99Å; Y553-L555 VanDerWaalsContact O-N 3.12Å; L555-F598 HydrophobicContact CD1-CB 3.84Å; L555-F598 HydrophobicContact CD1-CD2 3.64Å; L555-F598 HydrophobicContact CD1-CG 4.01Å; L555-F616 HydrophobicContact CB-CE2 3.94Å; L555-F616 HydrophobicContact CB-CZ 4.05Å
556	T	82.8	Confident	85	Confident	57 Å²	57	60.3 Å²	60.3	35%	0.35	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.6	177.1	-53.6	0	0	0	0	110.4	K551 M558 F616	K551-T556 HydrophobicContact CB-CG2 4.46Å; K551-T556 WeakPolarHBondContact CG-OG1 3.43Å; T556-M558 HydrophobicContact CG2-CG 4.45Å; T556-M558 HydrophobicContact CG2-SD 3.68Å; T556-M558 PolarHBondContact O-N 3.18Å; T556-M558 VanDerWaalsContact O-N 3.14Å; T556-F616 VanDerWaalsContact O-CE2 3.24Å; T556-F616 WeakPolarHBondContact O-CE2 3.4Å
557	N	85.8	Confident	85.2	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.334	C	S	.	.			trans	-81.4	92.8	178	178.3	13.4	0	0	0	110.8	I546 P547 L549 A550 K559 K561 A563 F616	I546-N557 HydrophobicContact CB-CB 4.03Å; I546-N557 HydrophobicContact CG2-CB 3.55Å; I546-N557 PolarHBondContact O-ND2 2.83Å; P547-N557 WeakPolarHBondContact O-CB 3.42Å; P547-N557 PolarHBondContact O-ND2 3.33Å; P547-N557 VanDerWaalsContact O-ND2 3.11Å; L549-N557 WeakPolarHBondContact CA-O 3.12Å; L549-N557 PolarHBondContact N-O 2.94Å; A550-N557 PolarHBondContact O-N 2.88Å; N557-K559 PolarHBondContact O-N 3Å; N557-K559 WeakPolarHBondContact OD1-CB 3.09Å; N557-K559 PolarHBondContact OD1-N 3.43Å; N557-K561 PolarHBondContact ND2-O 3.39Å; N557-A563 PolarHBondContact ND2-N 2.95Å; N557-F616 HydrophobicContact CB-CE1 4.39Å; N557-F616 HydrophobicContact CB-CZ 4.07Å
558	M	81.6	Confident	85.5	Confident	145 Å²	145	62.9 Å²	62.9	71%	0.714	32%	0.324	S	S	*	.			trans	-73.4	-0.3	177.5	-59.9	-59.2	-70.4	0	0	114.1	T556	T556-M558 HydrophobicContact CG2-CG 4.45Å; T556-M558 HydrophobicContact CG2-SD 3.68Å; T556-M558 PolarHBondContact O-N 3.18Å; T556-M558 VanDerWaalsContact O-N 3.14Å
559	K	79.1	Confident	85.8	Confident	107 Å²	107	61.8 Å²	61.8	47%	0.465	32%	0.316	S	S	.	.	S	Bend	trans	-88.9	157.3	179.4	-50.8	-56.6	-165.7	-176.6	0	111.5	P548 N557 K561 D596	P548-K559 WeakPolarHBondContact CA-O 3.46Å; P548-K559 WeakPolarHBondContact CB-O 3.3Å; N557-K559 PolarHBondContact O-N 3Å; N557-K559 WeakPolarHBondContact OD1-CB 3.09Å; N557-K559 PolarHBondContact OD1-N 3.43Å; K559-K561 PolarHBondContact O-N 2.97Å; K559-D596 WeakPolarHBondContact CE-OD2 3.33Å; K559-D596 IonicContact NZ-OD2 3.57Å
560	S	77.7	Confident	86.2	Confident	95 Å²	95	57.2 Å²	57.2	66%	0.664	30%	0.295	S	S	*	.	S	Bend	trans	-75.5	4.6	174.7	53.2	0	0	0	0	114.8	P548	P548-S560 WeakPolarHBondContact CG-O 3.5Å
561	K	86.9	Confident	86.7	Confident	57 Å²	57	64 Å²	64	25%	0.248	32%	0.315	C	S	.	.	S	Bend	trans	-131.1	152.6	-172.4	-58	-177.3	-171.2	171.4	0	110.6	N557 K559 A563 R590 E591 V593	N557-K561 PolarHBondContact ND2-O 3.39Å; K559-K561 PolarHBondContact O-N 2.97Å; K561-A563 PolarHBondContact O-N 3.3Å; K561-R590 WeakPolarHBondContact CE-O 3.37Å; K561-R590 PolarHBondContact NZ-O 3.49Å; K561-E591 WeakPolarHBondContact CD-O 3.12Å; K561-E591 WeakPolarHBondContact CE-O 3.31Å; K561-E591 WeakPolarHBondContact CG-O 3.24Å; K561-V593 WeakPolarHBondContact CD-O 3.46Å
562	T	89	Confident	86.8	Confident	11 Å²	11	57 Å²	57	7%	0.067	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-69.6	125	-176.4	-56.5	0	0	0	0	110.2	K545 Y564 F592 S594	K545-T562 HydrophobicContact CB-CG2 4.27Å; T562-Y564 HydrophobicContact CG2-CD2 4.06Å; T562-Y564 HydrophobicContact CG2-CE1 4.22Å; T562-Y564 HydrophobicContact CG2-CE2 3.5Å; T562-Y564 VanDerWaalsContact O-CD2 3.31Å; T562-Y564 WeakPolarHBondContact O-CD2 3.41Å; T562-Y564 WeakPolarHBondContact O-CE2 3.41Å; T562-F592 PolarHBondContact N-O 2.93Å; T562-S594 WeakPolarHBondContact O-CB 3.37Å; T562-S594 PolarHBondContact O-N 2.91Å
563	A	91.3	Very high	86.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	137.6	170.1	0	0	0	0	0	109.8	K545 I546 N557 K561 F598 F616	K545-A563 CarbonylContact C-O 3.57Å; K545-A563 WeakPolarHBondContact CA-O 3.28Å; I546-A563 PolarHBondContact N-O 2.96Å; I546-A563 PolarHBondContact O-N 2.82Å; N557-A563 PolarHBondContact ND2-N 2.95Å; K561-A563 PolarHBondContact O-N 3.3Å; A563-F598 HydrophobicContact CB-CD1 4.24Å; A563-F616 HydrophobicContact CB-CD1 4.34Å; A563-F616 HydrophobicContact CB-CE1 3.71Å
564	Y	92.9	Very high	86.8	Confident	12 Å²	12	51.5 Å²	51.5	5%	0.047	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	158.2	-179.6	-65.7	-98.5	0	0	0	109.5	L539 C542 K545 T562 V593 C597 F598 L653	L539-Y564 HydrophobicContact CB-CD1 4.19Å; L539-Y564 HydrophobicContact CB-CE1 3.74Å; L539-Y564 HydrophobicContact CD1-CE2 4.45Å; L539-Y564 HydrophobicContact CD2-CD1 3.95Å; L539-Y564 HydrophobicContact CD2-CD2 4.48Å; L539-Y564 HydrophobicContact CD2-CE1 4.34Å; L539-Y564 HydrophobicContact CD2-CG 4.03Å; L539-Y564 HydrophobicContact CG-CE1 4.48Å; L539-Y564 VanDerWaalsContact O-CE1 3.27Å; L539-Y564 WeakPolarHBondContact O-CE1 3.28Å; C542-Y564 HydrophobicContact CB-CD1 4.11Å; K545-Y564 HydrophobicContact CB-CD1 3.84Å; K545-Y564 HydrophobicContact CB-CE1 4.13Å; K545-Y564 HydrophobicContact CB-CG 4.41Å; K545-Y564 HydrophobicContact CD-CD1 4.3Å; K545-Y564 HydrophobicContact CD-CE1 3.82Å; T562-Y564 HydrophobicContact CG2-CD2 4.06Å; T562-Y564 HydrophobicContact CG2-CE1 4.22Å; T562-Y564 HydrophobicContact CG2-CE2 3.5Å; T562-Y564 VanDerWaalsContact O-CD2 3.31Å; T562-Y564 WeakPolarHBondContact O-CD2 3.41Å; T562-Y564 WeakPolarHBondContact O-CE2 3.41Å; Y564-V593 HydrophobicContact CD2-CG1 3.97Å; Y564-V593 HydrophobicContact CE2-CG1 4.12Å; Y564-V593 HydrophobicContact CE2-CG2 4.1Å; Y564-C597 CarbonylContact O-C 3.56Å; Y564-C597 VanDerWaalsContact O-CA 3.24Å; Y564-C597 WeakPolarHBondContact O-CA 3.18Å; Y564-C597 VanDerWaalsContact O-CB 3.31Å; Y564-C597 WeakPolarHBondContact O-CB 3.15Å; Y564-F598 WeakPolarHBondContact O-CD1 3.45Å; Y564-F598 PolarHBondContact O-N 3.34Å; Y564-L653 WeakPolarHBondContact OH-CD1 3.28Å
565	H	94.2	Very high	86.7	Confident	21 Å²	21	47.2 Å²	47.2	10%	0.097	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-60.9	142.6	172.9	-165.9	-104.3	0	0	0	111	F544 D567 C568 T569 F598 L600	F544-H565 HydrophobicContact CB-CB 3.86Å; F544-H565 PolarHBondContact O-N 3.5Å; H565-D567 VanDerWaalsContact C-N 3.3Å; H565-D567 VanDerWaalsContact CE1-CG 3.43Å; H565-D567 IonicContact CE1-OD1 2.73Å; H565-D567 PolarHBondContact CE1-OD1 2.98Å; H565-D567 IonicContact CE1-OD2 3.38Å; H565-D567 PolarHBondContact CE1-OD2 3.05Å; H565-D567 IonicContact ND1-OD1 2.9Å; H565-D567 PolarHBondContact ND1-OD1 3.18Å; H565-D567 IonicContact ND1-OD2 2.68Å; H565-D567 PolarHBondContact ND1-OD2 2.89Å; H565-D567 PolarHBondContact O-N 3.04Å; H565-C568 WeakPolarHBondContact O-CB 3.43Å; H565-C568 PolarHBondContact O-N 2.04Å; H565-T569 PolarHBondContact O-N 3.12Å; H565-F598 CarbonylContact C-O 3.58Å; H565-F598 VanDerWaalsContact CA-O 3.28Å; H565-F598 WeakPolarHBondContact CA-O 3.11Å; H565-F598 HydrophobicContact CB-CZ 4.46Å; H565-F598 PolarHBondContact CD2-O 3.39Å; H565-L600 PolarHBondContact NE2-N 3.49Å
566	C	92.1	Very high	86.5	Confident	16 Å²	16	46.7 Å²	46.7	11%	0.108	24%	0.241	C	C	.	.	H	α-helix	trans	-56.4	-42	-172.5	-64.9	0	0	0	0	112.8	C568 T569 S570 C597 F598 T599 T617	C566-C568 PolarHBondContact O-N 3.09Å; C566-C568 VanDerWaalsContact O-N 3.16Å; C566-T569 WeakPolarHBondContact CA-OG1 3.34Å; C566-T569 CarbonylContact O-C 3.58Å; C566-T569 PolarHBondContact O-N 3.12Å; C566-T569 PolarHBondContact O-OG1 2.93Å; C566-S570 PolarHBondContact O-N 3.06Å; C566-S570 PolarHBondContact O-OG 3.28Å; C566-C597 WeakPolarHBondContact CA-SG 3.22Å; C566-C597 HydrophobicContact CB-CB 3.88Å; C566-C597 WeakPolarHBondContact CB-SG 3.49Å; C566-C597 WeakPolarHBondContact SG-CB 3.21Å; C566-C597 CovalentContact SG-SG 2.05Å; C566-C597 PolarHBondContact SG-SG 2.76Å; C566-F598 PolarHBondContact N-O 3.39Å; C566-F598 PolarHBondContact SG-O 2.78Å; C566-T599 HydrophobicContact CB-CG2 4.45Å; C566-T617 PolarHBondContact SG-OG1 2.83Å; C566-T617 VanDerWaalsContact SG-OG1 3.38Å
567	D	92	Very high	86.2	Confident	87 Å²	87	47.7 Å²	47.7	47%	0.465	24%	0.24	S	C	.	.	H	α-helix	trans	-55	-36	175.3	-42.7	-7.7	0	0	0	113.1	H565 R571	H565-D567 VanDerWaalsContact C-N 3.3Å; H565-D567 VanDerWaalsContact CE1-CG 3.43Å; H565-D567 IonicContact CE1-OD1 2.73Å; H565-D567 PolarHBondContact CE1-OD1 2.98Å; H565-D567 IonicContact CE1-OD2 3.38Å; H565-D567 PolarHBondContact CE1-OD2 3.05Å; H565-D567 IonicContact ND1-OD1 2.9Å; H565-D567 PolarHBondContact ND1-OD1 3.18Å; H565-D567 IonicContact ND1-OD2 2.68Å; H565-D567 PolarHBondContact ND1-OD2 2.89Å; H565-D567 PolarHBondContact O-N 3.04Å; D567-R571 WeakPolarHBondContact O-CB 3.37Å; D567-R571 WeakPolarHBondContact O-CG 3.43Å; D567-R571 PolarHBondContact O-N 3.03Å
568	C	91.7	Very high	85.3	Confident	20 Å²	20	53.4 Å²	53.4	14%	0.135	27%	0.27	C	S	.	.	H	α-helix	trans	-70.1	-38.7	177.8	-60.8	0	0	0	0	111.1	L539 C542 H565 C566 L572	L539-C568 HydrophobicContact CD2-CB 4.13Å; C542-C568 HydrophobicContact CB-CB 3.79Å; C542-C568 WeakPolarHBondContact CB-SG 3.35Å; C542-C568 WeakPolarHBondContact SG-CB 3.48Å; C542-C568 CovalentContact SG-SG 2.04Å; C542-C568 PolarHBondContact SG-SG 3.44Å; H565-C568 WeakPolarHBondContact O-CB 3.43Å; H565-C568 PolarHBondContact O-N 2.04Å; C566-C568 PolarHBondContact O-N 3.09Å; C566-C568 VanDerWaalsContact O-N 3.16Å; C568-L572 PolarHBondContact O-N 3.07Å
569	T	90.8	Very high	84.5	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-72.9	-35.3	175.1	49.1	0	0	0	0	113	H565 C566 A573 C597 A619 L622	H565-T569 PolarHBondContact O-N 3.12Å; C566-T569 WeakPolarHBondContact CA-OG1 3.34Å; C566-T569 CarbonylContact O-C 3.58Å; C566-T569 PolarHBondContact O-N 3.12Å; C566-T569 PolarHBondContact O-OG1 2.93Å; T569-A573 WeakPolarHBondContact O-CB 3.49Å; T569-A573 PolarHBondContact O-N 3.45Å; T569-C597 HydrophobicContact CG2-CB 4.34Å; T569-A619 HydrophobicContact CG2-CB 4.49Å; T569-L622 HydrophobicContact CG2-CD2 3.96Å
570	S	89.9	Confident	83.4	Confident	37 Å²	37	52.7 Å²	52.7	26%	0.259	27%	0.267	S	S	.	.	H	α-helix	trans	-68.1	-46.5	176.3	-68	0	0	0	0	112.1	C566 L572 A573 V574 E621	C566-S570 PolarHBondContact O-N 3.06Å; C566-S570 PolarHBondContact O-OG 3.28Å; S570-L572 VanDerWaalsContact C-N 3.3Å; S570-L572 PolarHBondContact O-N 3.11Å; S570-A573 WeakPolarHBondContact O-CB 3.08Å; S570-A573 PolarHBondContact O-N 3.09Å; S570-V574 PolarHBondContact O-N 3.27Å; S570-E621 WeakPolarHBondContact CB-OE2 3.42Å; S570-E621 PolarHBondContact OG-OE2 2.78Å
571	R	87.8	Confident	82.2	Confident	170 Å²	170	54.1 Å²	54.1	64%	0.642	26%	0.261	S	S	*	.	H	α-helix	trans	-57.6	-42.3	174.9	-73.4	170.8	-173.8	-133	1.9	111.8	D567 Q575	D567-R571 WeakPolarHBondContact O-CB 3.37Å; D567-R571 WeakPolarHBondContact O-CG 3.43Å; D567-R571 PolarHBondContact O-N 3.03Å; R571-Q575 WeakPolarHBondContact O-CG 3.42Å; R571-Q575 PolarHBondContact O-N 2.94Å
572	L	86.2	Confident	80.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-41.4	173.1	177	64.1	0	0	0	112.1	L539 C568 S570 V574 Q575 I576 L589 L622	L539-L572 HydrophobicContact CD1-CD2 3.59Å; L539-L572 HydrophobicContact CD2-CD2 4.36Å; L539-L572 HydrophobicContact CG-CD2 3.91Å; C568-L572 PolarHBondContact O-N 3.07Å; S570-L572 VanDerWaalsContact C-N 3.3Å; S570-L572 PolarHBondContact O-N 3.11Å; L572-V574 VanDerWaalsContact C-N 3.31Å; L572-V574 PolarHBondContact O-N 2.94Å; L572-Q575 PolarHBondContact O-N 3.02Å; L572-Q575 VanDerWaalsContact O-N 3.16Å; L572-I576 HydrophobicContact CD1-CD1 3.85Å; L572-I576 HydrophobicContact CD1-CG1 3.98Å; L572-I576 HydrophobicContact CD2-CD1 4.18Å; L572-I576 HydrophobicContact CG-CD1 3.71Å; L572-I576 HydrophobicContact CG-CG1 4.24Å; L572-I576 WeakPolarHBondContact O-CG1 3.04Å; L572-I576 PolarHBondContact O-N 3.35Å; L572-L589 HydrophobicContact CD2-CD1 4.21Å; L572-L589 HydrophobicContact CD2-CD2 3.8Å; L572-L622 HydrophobicContact CD2-CD1 4.02Å; L572-L622 HydrophobicContact CG-CD1 4.17Å
573	A	86.4	Confident	78.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-38.4	179.3	0	0	0	0	0	112.5	T569 S570 K577 E621 L622 A625	T569-A573 WeakPolarHBondContact O-CB 3.49Å; T569-A573 PolarHBondContact O-N 3.45Å; S570-A573 WeakPolarHBondContact O-CB 3.08Å; S570-A573 PolarHBondContact O-N 3.09Å; A573-K577 WeakPolarHBondContact O-CD 3.42Å; A573-K577 VanDerWaalsContact O-CG 3.24Å; A573-K577 WeakPolarHBondContact O-CG 3.41Å; A573-K577 PolarHBondContact O-N 2.71Å; A573-K577 VanDerWaalsContact O-N 3.09Å; A573-E621 HydrophobicContact CB-CB 3.86Å; A573-L622 HydrophobicContact CB-CB 4.25Å; A573-L622 HydrophobicContact CB-CD1 4.35Å; A573-A625 HydrophobicContact CB-CB 4.26Å
574	V	84.4	Confident	76.6	Confident	69 Å²	69	55.4 Å²	55.4	42%	0.418	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-45.2	172.3	174.8	0	0	0	0	111.1	S570 L572 I576 K577 N578	S570-V574 PolarHBondContact O-N 3.27Å; L572-V574 VanDerWaalsContact C-N 3.31Å; L572-V574 PolarHBondContact O-N 2.94Å; V574-I576 PolarHBondContact O-N 3.46Å; V574-K577 PolarHBondContact O-N 2.7Å; V574-N578 VanDerWaalsContact O-CG 3.28Å; V574-N578 PolarHBondContact O-N 2.9Å; V574-N578 VanDerWaalsContact O-N 3.1Å; V574-N578 PolarHBondContact O-OD1 3.43Å
575	Q	78.7	Confident	75	Confident	60 Å²	60	55.4 Å²	55.4	28%	0.28	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-43.4	177.8	-71.3	177	-21.4	0	0	112.5	H538 R571 L572 K577 N578 V579	H538-Q575 PolarHBondContact CD2-NE2 2.84Å; H538-Q575 VanDerWaalsContact CD2-NE2 3.27Å; H538-Q575 PolarHBondContact CD2-OE1 3.19Å; H538-Q575 PolarHBondContact NE2-NE2 3.11Å; R571-Q575 WeakPolarHBondContact O-CG 3.42Å; R571-Q575 PolarHBondContact O-N 2.94Å; L572-Q575 PolarHBondContact O-N 3.02Å; L572-Q575 VanDerWaalsContact O-N 3.16Å; Q575-K577 VanDerWaalsContact C-N 3.31Å; Q575-K577 PolarHBondContact O-N 3.34Å; Q575-N578 PolarHBondContact O-N 3.16Å; Q575-V579 WeakPolarHBondContact O-CG2 3.26Å; Q575-V579 PolarHBondContact O-N 3.29Å
576	I	76.3	Confident	73.5	Confident	12 Å²	12	55.7 Å²	55.7	6%	0.062	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-34.6	177.2	-67.1	172.5	0	0	0	111.8	L572 V574 L589 L622 A625 L626	L572-I576 HydrophobicContact CD1-CD1 3.85Å; L572-I576 HydrophobicContact CD1-CG1 3.98Å; L572-I576 HydrophobicContact CD2-CD1 4.18Å; L572-I576 HydrophobicContact CG-CD1 3.71Å; L572-I576 HydrophobicContact CG-CG1 4.24Å; L572-I576 WeakPolarHBondContact O-CG1 3.04Å; L572-I576 PolarHBondContact O-N 3.35Å; V574-I576 PolarHBondContact O-N 3.46Å; I576-L589 HydrophobicContact CD1-CD1 3.54Å; I576-L622 HydrophobicContact CD1-CD1 3.95Å; I576-A625 HydrophobicContact CB-CB 4.33Å; I576-A625 HydrophobicContact CG2-CB 4.09Å; I576-L626 HydrophobicContact CD1-CD2 4.46Å
577	K	75.6	Confident	72.2	Confident	77 Å²	77	56.4 Å²	56.4	34%	0.335	28%	0.283	S	S	.	.	H	α-helix	trans	-64.5	-41.1	173.6	-73.7	166.1	179.5	179.8	0	111.8	A573 V574 Q575 A625	A573-K577 WeakPolarHBondContact O-CD 3.42Å; A573-K577 VanDerWaalsContact O-CG 3.24Å; A573-K577 WeakPolarHBondContact O-CG 3.41Å; A573-K577 PolarHBondContact O-N 2.71Å; A573-K577 VanDerWaalsContact O-N 3.09Å; V574-K577 PolarHBondContact O-N 2.7Å; Q575-K577 VanDerWaalsContact C-N 3.31Å; Q575-K577 PolarHBondContact O-N 3.34Å; K577-A625 HydrophobicContact CG-CB 4.03Å
578	N	67.4	Low	71.3	Confident	121 Å²	121	52.2 Å²	52.2	65%	0.647	26%	0.26	S	S	*	.	H	α-helix	trans	-83.1	-20.5	-170.1	-67.6	4.5	0	0	0	114.6	V574 Q575	V574-N578 VanDerWaalsContact O-CG 3.28Å; V574-N578 PolarHBondContact O-N 2.9Å; V574-N578 VanDerWaalsContact O-N 3.1Å; V574-N578 PolarHBondContact O-OD1 3.43Å; Q575-N578 PolarHBondContact O-N 3.16Å
579	V	63.9	Low	70.6	Confident	42 Å²	42	51.4 Å²	51.4	26%	0.255	26%	0.255	S	S	.	.			trans	-79.3	128.8	177.7	-177.3	0	0	0	0	110.6	Q575 K581 S583 R629	Q575-V579 WeakPolarHBondContact O-CG2 3.26Å; Q575-V579 PolarHBondContact O-N 3.29Å; V579-K581 WeakPolarHBondContact CG1-O 3.1Å; V579-S583 WeakPolarHBondContact CG1-OG 3.5Å; V579-R629 PolarHBondContact O-NH2 2.89Å
580	K	56.2	Low	70	Confident	196 Å²	196	56.5 Å²	56.5	85%	0.852	27%	0.273	S	S	*	.	S	Bend	trans	-78.9	-29.7	-177.4	-69.9	-173.5	177	-177.4	0	114.3
581	K	52.9	Low	69.4	Low	124 Å²	124	57.8 Å²	57.8	54%	0.539	28%	0.275	S	S	.	.	S	Bend	trans	-95.6	147	176	-69.6	-173.9	179	-179.2	0	111.2	D528 V579 S583	D528-K581 WeakPolarHBondContact OD2-CD 3.25Å; D528-K581 WeakPolarHBondContact OD2-CE 3.42Å; D528-K581 IonicContact OD2-NZ 3.39Å; D528-K581 PolarHBondContact OD2-NZ 2.74Å; V579-K581 WeakPolarHBondContact CG1-O 3.1Å; K581-S583 PolarHBondContact O-N 2.69Å; K581-S583 PolarHBondContact O-OG 3.4Å
582	P	50.5	Low	69.3	Low	81 Å²	81	50.2 Å²	50.2	53%	0.526	25%	0.247	S	C	.	.			trans	-61.2	105.8	-170.9	22.5	-34.1	0	0	0	113.3
583	S	45.1	Very low	69.4	Low	11 Å²	11	50.6 Å²	50.6	8%	0.077	25%	0.249	C	C	.	.			trans	-144.3	144.8	-171.1	-50.2	0	0	0	0	112.1	L532 V579 K581	L532-S583 WeakPolarHBondContact CD1-OG 3.44Å; L532-S583 WeakPolarHBondContact CG-OG 3.03Å; V579-S583 WeakPolarHBondContact CG1-OG 3.5Å; K581-S583 PolarHBondContact O-N 2.69Å; K581-S583 PolarHBondContact O-OG 3.4Å
584	P	54.5	Low	69.5	Low	3 Å²	3	50.8 Å²	50.8	2%	0.019	25%	0.251	C	S	.	.	S	Bend	cis	-74.9	-171.4	-29.1	37.9	-36.7	0	0	0	109.6	L536 R586 L589	L536-P584 HydrophobicContact CD1-CB 3.86Å; L536-P584 HydrophobicContact CD1-CG 4.19Å; L536-P584 HydrophobicContact CD2-CB 4.4Å; L536-P584 HydrophobicContact CD2-CG 3.82Å; L536-P584 HydrophobicContact CG-CB 3.97Å; L536-P584 HydrophobicContact CG-CG 3.9Å; P584-R586 PolarHBondContact O-N 2.88Å; P584-L589 HydrophobicContact CG-CD1 3.67Å; P584-L589 HydrophobicContact CG-CG 4.24Å
585	P	59.5	Low	69.7	Low	13 Å²	13	53 Å²	53	8%	0.084	26%	0.256	C	S	.	.			trans	-56.4	110.8	173.2	-25.6	35.5	0	0	0	111.1	S587 L588 L589 M638 F640	P585-S587 PolarHBondContact O-N 3.16Å; P585-L588 HydrophobicContact CB-CB 4.08Å; P585-L588 VanDerWaalsContact O-CB 3.31Å; P585-L588 WeakPolarHBondContact O-CB 3.3Å; P585-L588 PolarHBondContact O-N 3.23Å; P585-L589 PolarHBondContact O-N 3.22Å; P585-M638 HydrophobicContact CG-CE 3.98Å; P585-F640 HydrophobicContact CB-CE2 4.26Å; P585-F640 HydrophobicContact CB-CZ 4.39Å
586	R	62.6	Low	70.3	Confident	26 Å²	26	51.8 Å²	51.8	10%	0.098	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-30.6	-174.5	-59.6	-171.9	-155.1	144.6	11.5	111.6	P584 L589 R590 L626 R629	P584-R586 PolarHBondContact O-N 2.88Å; R586-L589 PolarHBondContact O-N 2.98Å; R586-R590 WeakPolarHBondContact O-CB 3.43Å; R586-R590 WeakPolarHBondContact O-CG 3.34Å; R586-R590 PolarHBondContact O-N 2.99Å; R586-L626 HydrophobicContact CB-CD2 3.92Å; R586-L626 HydrophobicContact CG-CD2 3.82Å; R586-R629 PolarHBondContact NH1-O 2.02Å; R586-R629 VanDerWaalsContact NH2-CB 3.34Å; R586-R629 PolarHBondContact NH2-O 2.8Å
587	S	63.8	Low	71	Confident	31 Å²	31	51.5 Å²	51.5	22%	0.217	25%	0.251	C	S	.	.	H	α-helix	trans	-52.7	-44.9	166.3	40.7	0	0	0	0	113.5	P585 R590 E591 F640	P585-S587 PolarHBondContact O-N 3.16Å; S587-R590 CarbonylContact O-C 3.55Å; S587-R590 PolarHBondContact O-N 3.15Å; S587-E591 WeakPolarHBondContact O-CB 3.34Å; S587-E591 PolarHBondContact O-N 3.41Å; S587-F640 WeakPolarHBondContact OG-CD2 3.38Å; S587-F640 WeakPolarHBondContact OG-CE2 3.28Å
588	L	73.2	Confident	71.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-42.1	177.5	-176.6	163.8	0	0	0	111.3	L536 P585 E591 F592 L653 Y656 C657 L660	L536-L588 HydrophobicContact CD1-CD1 4.42Å; L536-L588 HydrophobicContact CD1-CD2 4Å; L536-L588 HydrophobicContact CD2-CD2 4.45Å; P585-L588 HydrophobicContact CB-CB 4.08Å; P585-L588 VanDerWaalsContact O-CB 3.31Å; P585-L588 WeakPolarHBondContact O-CB 3.3Å; P585-L588 PolarHBondContact O-N 3.23Å; L588-E591 PolarHBondContact O-N 3.12Å; L588-F592 HydrophobicContact CD2-CD2 4.48Å; L588-F592 HydrophobicContact CG-CD2 4.24Å; L588-F592 WeakPolarHBondContact O-CD2 3.25Å; L588-F592 PolarHBondContact O-N 1.97Å; L588-F592 VanDerWaalsContact O-N 3.08Å; L588-L653 HydrophobicContact CD2-CB 4.34Å; L588-L653 HydrophobicContact CD2-CD2 3.72Å; L588-Y656 HydrophobicContact CD1-CD1 3.8Å; L588-Y656 HydrophobicContact CD1-CE1 4.34Å; L588-Y656 HydrophobicContact CG-CD1 4.21Å; L588-C657 HydrophobicContact CD1-CB 4Å; L588-L660 HydrophobicContact CD1-CD1 3.84Å
589	L	77.9	Confident	72.9	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-66.4	-46.9	173.9	-74.2	171.6	0	0	0	111.7	L536 L539 L572 I576 P584 P585 R586 E591 V593 L626	L536-L589 HydrophobicContact CD2-CD1 4.44Å; L536-L589 HydrophobicContact CD2-CD2 3.57Å; L536-L589 HydrophobicContact CD2-CG 4.07Å; L539-L589 HydrophobicContact CD1-CD2 4.02Å; L572-L589 HydrophobicContact CD2-CD1 4.21Å; L572-L589 HydrophobicContact CD2-CD2 3.8Å; I576-L589 HydrophobicContact CD1-CD1 3.54Å; P584-L589 HydrophobicContact CG-CD1 3.67Å; P584-L589 HydrophobicContact CG-CG 4.24Å; P585-L589 PolarHBondContact O-N 3.22Å; R586-L589 PolarHBondContact O-N 2.98Å; L589-E591 PolarHBondContact O-N 3.46Å; L589-V593 HydrophobicContact CD2-CG2 3.65Å; L589-V593 WeakPolarHBondContact O-CB 3.46Å; L589-V593 PolarHBondContact O-N 3.25Å; L589-L626 HydrophobicContact CB-CD1 4.29Å; L589-L626 HydrophobicContact CB-CD2 4.45Å; L589-L626 HydrophobicContact CD1-CD2 3.95Å
590	R	76.5	Confident	73.8	Confident	110 Å²	110	44.4 Å²	44.4	42%	0.415	22%	0.217	S	C	.	.	H	α-helix	trans	-62.8	-25.4	175.5	-71.4	-179.4	-170.8	-152.5	0.6	112.6	K561 R586 S587 L626 E630	K561-R590 WeakPolarHBondContact CE-O 3.37Å; K561-R590 PolarHBondContact NZ-O 3.49Å; R586-R590 WeakPolarHBondContact O-CB 3.43Å; R586-R590 WeakPolarHBondContact O-CG 3.34Å; R586-R590 PolarHBondContact O-N 2.99Å; S587-R590 CarbonylContact O-C 3.55Å; S587-R590 PolarHBondContact O-N 3.15Å; R590-L626 PolarHBondContact NH2-O 2.85Å; R590-E630 IonicContact CZ-OE1 3.27Å; R590-E630 VanDerWaalsContact CZ-OE1 3.27Å; R590-E630 IonicContact NH1-OE1 2.9Å; R590-E630 PolarHBondContact NH1-OE1 3.47Å; R590-E630 IonicContact NH2-OE1 2.67Å; R590-E630 PolarHBondContact NH2-OE1 2.83Å
591	E	78.3	Confident	74.3	Confident	64 Å²	64	37.8 Å²	37.8	30%	0.299	19%	0.194	S	C	.	.	H	α-helix	trans	-82.4	-47.4	178.9	-175.9	155.4	-117.5	0	0	112.8	K561 S587 L588 L589 K647	K561-E591 WeakPolarHBondContact CD-O 3.12Å; K561-E591 WeakPolarHBondContact CE-O 3.31Å; K561-E591 WeakPolarHBondContact CG-O 3.24Å; S587-E591 WeakPolarHBondContact O-CB 3.34Å; S587-E591 PolarHBondContact O-N 3.41Å; L588-E591 PolarHBondContact O-N 3.12Å; L589-E591 PolarHBondContact O-N 3.46Å; E591-K647 WeakPolarHBondContact OE1-CD 3.47Å; E591-K647 WeakPolarHBondContact OE1-CE 3.28Å; E591-K647 IonicContact OE1-NZ 3.25Å; E591-K647 PolarHBondContact OE1-NZ 2.45Å; E591-K647 IonicContact OE2-NZ 2.63Å; E591-K647 PolarHBondContact OE2-NZ 3.22Å
592	F	85.4	Confident	74.9	Confident	11 Å²	11	40.6 Å²	40.6	5%	0.048	21%	0.206	C	C	.	.	H	α-helix	trans	-108.7	-17.6	-168.6	-59.6	-68.6	0	0	0	116.5	T562 L588 I649 P650 L653 Y656	T562-F592 PolarHBondContact N-O 2.93Å; L588-F592 HydrophobicContact CD2-CD2 4.48Å; L588-F592 HydrophobicContact CG-CD2 4.24Å; L588-F592 WeakPolarHBondContact O-CD2 3.25Å; L588-F592 PolarHBondContact O-N 1.97Å; L588-F592 VanDerWaalsContact O-N 3.08Å; F592-I649 HydrophobicContact CD1-CG2 4.27Å; F592-P650 HydrophobicContact CD1-CG 4.24Å; F592-P650 HydrophobicContact CD2-CG 4.09Å; F592-P650 VanDerWaalsContact CE1-CD 3.44Å; F592-P650 HydrophobicContact CE1-CG 4.42Å; F592-P650 HydrophobicContact CE2-CG 4.31Å; F592-P650 HydrophobicContact CG-CG 4.07Å; F592-P650 HydrophobicContact CZ-CG 4.46Å; F592-L653 HydrophobicContact CB-CD2 3.85Å; F592-L653 HydrophobicContact CD2-CD2 4.34Å; F592-L653 HydrophobicContact CG-CD2 4.34Å; F592-Y656 HydrophobicContact CE2-CD1 4.25Å; F592-Y656 AromaticContact CE2-CE1 3.69Å; F592-Y656 HydrophobicContact CE2-CE1 3.69Å; F592-Y656 HydrophobicContact CZ-CE1 4.17Å
593	V	88.1	Confident	75.3	Confident	8 Å²	8	45 Å²	45	5%	0.048	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-97.7	136.3	179.9	-174.7	0	0	0	0	110	L539 K561 Y564 L589 L622 L653	L539-V593 HydrophobicContact CD1-CG2 3.78Å; K561-V593 WeakPolarHBondContact CD-O 3.46Å; Y564-V593 HydrophobicContact CD2-CG1 3.97Å; Y564-V593 HydrophobicContact CE2-CG1 4.12Å; Y564-V593 HydrophobicContact CE2-CG2 4.1Å; L589-V593 HydrophobicContact CD2-CG2 3.65Å; L589-V593 WeakPolarHBondContact O-CB 3.46Å; L589-V593 PolarHBondContact O-N 3.25Å; V593-L622 HydrophobicContact CG1-CD2 4.3Å; V593-L653 HydrophobicContact CG2-CD1 4.1Å
594	S	89.3	Confident	75.7	Confident	5 Å²	5	51.9 Å²	51.9	4%	0.035	26%	0.256	C	S	.	.			trans	-63.6	151.7	176.3	-175.1	0	0	0	0	111.7	T562 D596	T562-S594 WeakPolarHBondContact O-CB 3.37Å; T562-S594 PolarHBondContact O-N 2.91Å; S594-D596 VanDerWaalsContact CB-O 3.27Å; S594-D596 WeakPolarHBondContact CB-O 3.34Å; S594-D596 PolarHBondContact O-N 3.49Å; S594-D596 PolarHBondContact OG-N 3.4Å; S594-D596 VanDerWaalsContact OG-N 3.1Å; S594-D596 PolarHBondContact OG-O 2.89Å; S594-D596 VanDerWaalsContact OG-O 3.13Å
595	Q	87.9	Confident	75.5	Confident	114 Å²	114	60.8 Å²	60.8	53%	0.533	29%	0.294	S	S	.	.	S	Bend	trans	-72.2	-18.6	169	-63	-167.7	-30.7	0	0	112.1	A619 H623	Q595-A619 PolarHBondContact O-N 3.13Å; Q595-H623 WeakPolarHBondContact CA-CE1 3.34Å; Q595-H623 WeakPolarHBondContact CG-NE2 3.23Å; Q595-H623 PolarHBondContact O-CE1 3.29Å
596	D	90.6	Very high	75.1	Confident	36 Å²	36	62.4 Å²	62.4	19%	0.193	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125	179.9	-48	-52.6	0	0	0	109.7	K559 S594 F616 T617	K559-D596 WeakPolarHBondContact CE-OD2 3.33Å; K559-D596 IonicContact NZ-OD2 3.57Å; S594-D596 VanDerWaalsContact CB-O 3.27Å; S594-D596 WeakPolarHBondContact CB-O 3.34Å; S594-D596 PolarHBondContact O-N 3.49Å; S594-D596 PolarHBondContact OG-N 3.4Å; S594-D596 VanDerWaalsContact OG-N 3.1Å; S594-D596 PolarHBondContact OG-O 2.89Å; S594-D596 VanDerWaalsContact OG-O 3.13Å; D596-F616 HydrophobicContact CB-CB 4.26Å; D596-F616 HydrophobicContact CB-CD1 4.42Å; D596-T617 CarbonylContact C-O 3.54Å; D596-T617 VanDerWaalsContact CA-O 3.29Å; D596-T617 WeakPolarHBondContact CA-O 3.48Å
597	C	92.6	Very high	74.8	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.034	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	178.4	163.1	66	0	0	0	0	109.6	Y564 C566 T569 F616 T617 A619	Y564-C597 CarbonylContact O-C 3.56Å; Y564-C597 VanDerWaalsContact O-CA 3.24Å; Y564-C597 WeakPolarHBondContact O-CA 3.18Å; Y564-C597 VanDerWaalsContact O-CB 3.31Å; Y564-C597 WeakPolarHBondContact O-CB 3.15Å; C566-C597 WeakPolarHBondContact CA-SG 3.22Å; C566-C597 HydrophobicContact CB-CB 3.88Å; C566-C597 WeakPolarHBondContact CB-SG 3.49Å; C566-C597 WeakPolarHBondContact SG-CB 3.21Å; C566-C597 CovalentContact SG-SG 2.05Å; C566-C597 PolarHBondContact SG-SG 2.76Å; T569-C597 HydrophobicContact CG2-CB 4.34Å; C597-F616 CarbonylContact O-C 3.57Å; C597-F616 VanDerWaalsContact O-CA 3.28Å; C597-F616 WeakPolarHBondContact O-CA 3.31Å; C597-T617 PolarHBondContact N-O 3.06Å; C597-T617 PolarHBondContact O-N 3.13Å; C597-T617 PolarHBondContact SG-O 2.97Å; C597-A619 HydrophobicContact CB-CB 4.09Å
598	F	92.3	Very high	74.3	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157.5	171.6	69.9	-82.8	0	0	0	112.7	F544 I546 Y553 L555 A563 Y564 H565 C566 L600 G615 F616	F544-F598 HydrophobicContact CB-CE2 4.34Å; F544-F598 HydrophobicContact CB-CZ 3.97Å; I546-F598 HydrophobicContact CD1-CD1 4.05Å; I546-F598 HydrophobicContact CD1-CD2 4.3Å; I546-F598 HydrophobicContact CD1-CE1 3.98Å; I546-F598 HydrophobicContact CD1-CE2 4.22Å; I546-F598 HydrophobicContact CD1-CG 4.21Å; I546-F598 HydrophobicContact CD1-CZ 4.06Å; I546-F598 HydrophobicContact CG1-CD1 4.19Å; I546-F598 HydrophobicContact CG1-CE1 3.67Å; I546-F598 HydrophobicContact CG1-CE2 4.4Å; I546-F598 HydrophobicContact CG1-CZ 3.78Å; Y553-F598 AromaticContact CD2-CE2 3.88Å; Y553-F598 HydrophobicContact CD2-CE2 3.88Å; Y553-F598 AromaticContact CD2-CZ 3.97Å; Y553-F598 HydrophobicContact CD2-CZ 3.97Å; Y553-F598 HydrophobicContact CE2-CE2 4.3Å; Y553-F598 AromaticContact CE2-CZ 3.97Å; Y553-F598 HydrophobicContact CE2-CZ 3.97Å; L555-F598 HydrophobicContact CD1-CB 3.84Å; L555-F598 HydrophobicContact CD1-CD2 3.64Å; L555-F598 HydrophobicContact CD1-CG 4.01Å; A563-F598 HydrophobicContact CB-CD1 4.24Å; Y564-F598 WeakPolarHBondContact O-CD1 3.45Å; Y564-F598 PolarHBondContact O-N 3.34Å; H565-F598 CarbonylContact C-O 3.58Å; H565-F598 VanDerWaalsContact CA-O 3.28Å; H565-F598 WeakPolarHBondContact CA-O 3.11Å; H565-F598 HydrophobicContact CB-CZ 4.46Å; H565-F598 PolarHBondContact CD2-O 3.39Å; C566-F598 PolarHBondContact N-O 3.39Å; C566-F598 PolarHBondContact SG-O 2.78Å; F598-L600 HydrophobicContact CD2-CD2 4.43Å; F598-L600 HydrophobicContact CE2-CD2 3.92Å; F598-L600 HydrophobicContact CE2-CG 4.44Å; F598-G615 VanDerWaalsContact CA-O 3.22Å; F598-G615 WeakPolarHBondContact CA-O 3.39Å; F598-G615 WeakPolarHBondContact CB-O 3.12Å; F598-F616 HydrophobicContact CB-CD1 3.93Å; F598-F616 HydrophobicContact CB-CE1 4.1Å
599	T	89.3	Confident	73.4	Confident	47 Å²	47	84.4 Å²	84.4	29%	0.288	41%	0.408	S	S	.	.			trans	-110.9	144.7	167.8	52.7	0	0	0	0	110.2	C566 G614 G615	C566-T599 HydrophobicContact CB-CG2 4.45Å; T599-G614 WeakPolarHBondContact O-CA 3.09Å; T599-G615 PolarHBondContact N-O 3.34Å; T599-G615 VanDerWaalsContact N-O 3.09Å; T599-G615 PolarHBondContact O-N 3.29Å
600	L	83.1	Confident	72.1	Confident	45 Å²	45	92.4 Å²	92.4	24%	0.236	44%	0.442	C	S	.	.			trans	-76.6	147.6	167.8	-65.1	177.5	0	0	0	110.5	F544 Y553 H565 F598 K602	F544-L600 HydrophobicContact CD1-CD1 3.81Å; F544-L600 HydrophobicContact CD2-CD1 3.99Å; F544-L600 HydrophobicContact CE1-CD1 3.68Å; F544-L600 HydrophobicContact CE2-CD1 3.87Å; F544-L600 HydrophobicContact CG-CD1 3.96Å; F544-L600 HydrophobicContact CZ-CD1 3.7Å; Y553-L600 HydrophobicContact CD1-CD2 4.15Å; Y553-L600 HydrophobicContact CD2-CD2 4.35Å; Y553-L600 HydrophobicContact CG-CD2 3.77Å; H565-L600 PolarHBondContact NE2-N 3.49Å; F598-L600 HydrophobicContact CD2-CD2 4.43Å; F598-L600 HydrophobicContact CE2-CD2 3.92Å; F598-L600 HydrophobicContact CE2-CG 4.44Å; L600-K602 PolarHBondContact O-N 3.02Å
601	P	67.8	Low	70.6	Confident	57 Å²	57	98.6 Å²	98.6	37%	0.37	47%	0.466	S	S	.	.			trans	-54.4	131.3	165.8	-22.5	33	0	0	0	110.6	E603 C612	P601-E603 PolarHBondContact O-N 3.01Å; P601-C612 HydrophobicContact CB-CB 4.29Å
602	K	65.1	Low	69.3	Low	182 Å²	182	98.5 Å²	98.5	79%	0.791	47%	0.471	S	S	*	.			trans	-86.1	104.3	169.7	-68.5	-175	179	-178.1	0	108.4	L600 N604 K605	L600-K602 PolarHBondContact O-N 3.02Å; K602-N604 PolarHBondContact O-N 2.87Å; K602-N604 VanDerWaalsContact O-N 3.11Å; K602-K605 PolarHBondContact O-N 2.85Å
603	E	58.5	Low	67.7	Low	175 Å²	175	103.5 Å²	103.5	82%	0.818	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-53.4	-35.6	-172.7	-65.4	172	148.1	0	0	112.5	P601 K605	P601-E603 PolarHBondContact O-N 3.01Å; E603-K605 PolarHBondContact O-N 2.6Å
604	N	54.2	Low	66.5	Low	154 Å²	154	104 Å²	104	82%	0.824	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-83.6	5.4	-170	-54.3	24.8	0	0	0	115.5	K602	K602-N604 PolarHBondContact O-N 2.87Å; K602-N604 VanDerWaalsContact O-N 3.11Å
605	K	48.8	Very low	66	Low	191 Å²	191	104.7 Å²	104.7	83%	0.83	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-139.2	24.3	178.8	-70.9	-159.1	175.5	-166.5	0	115.6	K602 E603 N607	K602-K605 PolarHBondContact O-N 2.85Å; E603-K605 PolarHBondContact O-N 2.6Å; K605-N607 PolarHBondContact O-N 2.9Å
606	C	53	Low	65.9	Low	46 Å²	46	102.7 Å²	102.7	31%	0.311	51%	0.512	S	S	.	.			trans	-88.7	92.9	169.7	-66.5	0	0	0	0	111.7	R608 C612	C606-R608 PolarHBondContact O-N 2.94Å; C606-C612 HydrophobicContact CB-CB 4.44Å; C606-C612 WeakPolarHBondContact CB-SG 3.07Å; C606-C612 WeakPolarHBondContact SG-CB 3.08Å; C606-C612 CovalentContact SG-SG 2.04Å; C606-C612 PolarHBondContact SG-SG 3.47Å
607	N	54.9	Low	65.8	Low	126 Å²	126	104.3 Å²	104.3	67%	0.674	52%	0.523	S	S	*	.			trans	-59.5	136.6	165.3	-74.7	6.4	0	0	0	109.3	K605 T609 K610	K605-N607 PolarHBondContact O-N 2.9Å; N607-T609 PolarHBondContact O-N 3.38Å; N607-K610 PolarHBondContact O-N 3.35Å
608	R	54	Low	65.7	Low	262 Å²	262	110.9 Å²	110.9	99%	0.989	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-11	-169.9	-66.5	-179	177.2	172.5	-1.1	115.5	C606	C606-R608 PolarHBondContact O-N 2.94Å
609	T	53.2	Low	65.5	Low	132 Å²	132	111.1 Å²	111.1	81%	0.81	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-4	179.7	50.7	0	0	0	0	115.2	N607	N607-T609 PolarHBondContact O-N 3.38Å
610	K	50.4	Low	65.4	Low	171 Å²	171	112.6 Å²	112.6	74%	0.743	57%	0.565	S	S	*	*	S	Bend	trans	-127.3	123.8	177.2	-69.6	-172	178.2	-179.5	0	112	N607 C612	N607-K610 PolarHBondContact O-N 3.35Å; K610-C612 PolarHBondContact O-N 2.9Å
611	R	45.9	Very low	65.6	Low	240 Å²	240	113.9 Å²	113.9	91%	0.906	57%	0.57	S	S	*	*			trans	-53.9	123	179.1	-175.9	-177.4	-89.9	175.4	-6.3	109.9	S613	R611-S613 PolarHBondContact O-N 3.16Å; R611-S613 VanDerWaalsContact O-N 3.08Å
612	C	50.5	Low	66.4	Low	61 Å²	61	111.4 Å²	111.4	41%	0.412	55%	0.553	S	S	.	*			trans	-57.3	111.4	-177.3	-67.3	0	0	0	0	112.3	P601 C606 K610 G614	P601-C612 HydrophobicContact CB-CB 4.29Å; C606-C612 HydrophobicContact CB-CB 4.44Å; C606-C612 WeakPolarHBondContact CB-SG 3.07Å; C606-C612 WeakPolarHBondContact SG-CB 3.08Å; C606-C612 CovalentContact SG-SG 2.04Å; C606-C612 PolarHBondContact SG-SG 3.47Å; K610-C612 PolarHBondContact O-N 2.9Å; C612-G614 PolarHBondContact O-N 2.83Å
613	S	52.3	Low	67.3	Low	117 Å²	117	104.2 Å²	104.2	82%	0.818	52%	0.523	S	S	*	.			trans	-77.2	51.2	-177	-52.8	0	0	0	0	114.6	R611	R611-S613 PolarHBondContact O-N 3.16Å; R611-S613 VanDerWaalsContact O-N 3.08Å
614	G	61.9	Low	68.5	Low	17 Å²	17	100 Å²	100	18%	0.175	50%	0.503	C	S	.	.			trans	-80.4	127.5	154.6	0	0	0	0	0	108.5	T599 C612	T599-G614 WeakPolarHBondContact O-CA 3.09Å; C612-G614 PolarHBondContact O-N 2.83Å
615	G	79	Confident	69.6	Low	20 Å²	20	93 Å²	93	21%	0.206	47%	0.467	C	S	.	.			trans	-171.2	177.1	-170.5	0	0	0	0	0	113.6	F598 T599	F598-G615 VanDerWaalsContact CA-O 3.22Å; F598-G615 WeakPolarHBondContact CA-O 3.39Å; F598-G615 WeakPolarHBondContact CB-O 3.12Å; T599-G615 PolarHBondContact N-O 3.34Å; T599-G615 VanDerWaalsContact N-O 3.09Å; T599-G615 PolarHBondContact O-N 3.29Å
616	F	85.9	Confident	70.9	Confident	72 Å²	72	84.4 Å²	84.4	32%	0.316	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.5	173.1	-67.1	-80.6	0	0	0	110.5	I546 L555 T556 N557 A563 D596 C597 F598	I546-F616 HydrophobicContact CD1-CE1 4.31Å; I546-F616 HydrophobicContact CD1-CZ 3.98Å; L555-F616 HydrophobicContact CB-CE2 3.94Å; L555-F616 HydrophobicContact CB-CZ 4.05Å; T556-F616 VanDerWaalsContact O-CE2 3.24Å; T556-F616 WeakPolarHBondContact O-CE2 3.4Å; N557-F616 HydrophobicContact CB-CE1 4.39Å; N557-F616 HydrophobicContact CB-CZ 4.07Å; A563-F616 HydrophobicContact CB-CD1 4.34Å; A563-F616 HydrophobicContact CB-CE1 3.71Å; D596-F616 HydrophobicContact CB-CB 4.26Å; D596-F616 HydrophobicContact CB-CD1 4.42Å; C597-F616 CarbonylContact O-C 3.57Å; C597-F616 VanDerWaalsContact O-CA 3.28Å; C597-F616 WeakPolarHBondContact O-CA 3.31Å; F598-F616 HydrophobicContact CB-CD1 3.93Å; F598-F616 HydrophobicContact CB-CE1 4.1Å
617	T	89.8	Confident	71.7	Confident	70 Å²	70	89.2 Å²	89.2	43%	0.429	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	150.8	175.6	57.7	0	0	0	0	109.8	C566 D596 C597 A619	C566-T617 PolarHBondContact SG-OG1 2.83Å; C566-T617 VanDerWaalsContact SG-OG1 3.38Å; D596-T617 CarbonylContact C-O 3.54Å; D596-T617 VanDerWaalsContact CA-O 3.29Å; D596-T617 WeakPolarHBondContact CA-O 3.48Å; C597-T617 PolarHBondContact N-O 3.06Å; C597-T617 PolarHBondContact O-N 3.13Å; C597-T617 PolarHBondContact SG-O 2.97Å; T617-A619 PolarHBondContact O-N 2.93Å
618	K	89.1	Confident	71.9	Confident	144 Å²	144	90.9 Å²	90.9	63%	0.626	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	127.9	-177.7	-166.8	170.3	-169.6	167.9	0	109.9	S620	K618-S620 PolarHBondContact O-N 2.7Å
619	A	89.7	Confident	72	Confident	5 Å²	5	83 Å²	83	4%	0.041	41%	0.413	C	S	.	.			trans	-75.1	62.2	179.8	0	0	0	0	0	111.4	T569 Q595 C597 T617 E621 L622 H623	T569-A619 HydrophobicContact CG2-CB 4.49Å; Q595-A619 PolarHBondContact O-N 3.13Å; C597-A619 HydrophobicContact CB-CB 4.09Å; T617-A619 PolarHBondContact O-N 2.93Å; A619-E621 PolarHBondContact O-N 3.48Å; A619-L622 HydrophobicContact CB-CB 4.36Å; A619-L622 PolarHBondContact O-N 3.04Å; A619-L622 VanDerWaalsContact O-N 3.12Å; A619-H623 PolarHBondContact O-N 2.98Å; A619-H623 VanDerWaalsContact O-N 3.13Å; A619-H623 PolarHBondContact O-ND1 3.39Å
620	S	86.8	Confident	71.9	Confident	78 Å²	78	81.8 Å²	81.8	55%	0.545	40%	0.398	S	S	.	.	H	α-helix	trans	-53.3	-46.4	-165.7	55.4	0	0	0	0	113.4	K618 L622 H623 Q624	K618-S620 PolarHBondContact O-N 2.7Å; S620-L622 PolarHBondContact O-N 2.81Å; S620-H623 CarbonylContact O-C 3.58Å; S620-H623 PolarHBondContact O-N 2.79Å; S620-Q624 PolarHBondContact O-N 3.32Å
621	E	86.2	Confident	71.7	Confident	72 Å²	72	82.7 Å²	82.7	34%	0.336	41%	0.405	S	S	.	.	H	α-helix	trans	-61.2	-41.2	179.9	-58.4	-168.9	96.6	0	0	112.9	S570 A573 A619 Q624 A625	S570-E621 WeakPolarHBondContact CB-OE2 3.42Å; S570-E621 PolarHBondContact OG-OE2 2.78Å; A573-E621 HydrophobicContact CB-CB 3.86Å; A619-E621 PolarHBondContact O-N 3.48Å; E621-Q624 PolarHBondContact O-N 3.42Å; E621-A625 WeakPolarHBondContact O-CB 3.42Å; E621-A625 PolarHBondContact O-N 3.37Å
622	L	85.1	Confident	71.8	Confident	4 Å²	4	76.8 Å²	76.8	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-68.3	-39	178	-174.6	61	0	0	0	110.5	T569 L572 A573 I576 V593 A619 S620 Q624 A625 L626	T569-L622 HydrophobicContact CG2-CD2 3.96Å; L572-L622 HydrophobicContact CD2-CD1 4.02Å; L572-L622 HydrophobicContact CG-CD1 4.17Å; A573-L622 HydrophobicContact CB-CB 4.25Å; A573-L622 HydrophobicContact CB-CD1 4.35Å; I576-L622 HydrophobicContact CD1-CD1 3.95Å; V593-L622 HydrophobicContact CG1-CD2 4.3Å; A619-L622 HydrophobicContact CB-CB 4.36Å; A619-L622 PolarHBondContact O-N 3.04Å; A619-L622 VanDerWaalsContact O-N 3.12Å; S620-L622 PolarHBondContact O-N 2.81Å; L622-Q624 VanDerWaalsContact C-N 3.29Å; L622-Q624 PolarHBondContact O-N 2.76Å; L622-A625 PolarHBondContact O-N 3.37Å; L622-L626 HydrophobicContact CD1-CD1 4.27Å; L622-L626 HydrophobicContact CD1-CG 4.4Å; L622-L626 HydrophobicContact CG-CD1 4.04Å; L622-L626 VanDerWaalsContact O-CB 3.29Å; L622-L626 WeakPolarHBondContact O-CB 3.39Å; L622-L626 WeakPolarHBondContact O-CG 3.14Å; L622-L626 PolarHBondContact O-N 3.02Å
623	H	83.9	Confident	71.5	Confident	31 Å²	31	83.5 Å²	83.5	14%	0.144	41%	0.409	C	S	.	.	H	α-helix	trans	-69.9	-24.4	173.3	-66.9	83.6	0	0	0	113.5	Q595 A619 S620 R627	Q595-H623 WeakPolarHBondContact CA-CE1 3.34Å; Q595-H623 WeakPolarHBondContact CG-NE2 3.23Å; Q595-H623 PolarHBondContact O-CE1 3.29Å; A619-H623 PolarHBondContact O-N 2.98Å; A619-H623 VanDerWaalsContact O-N 3.13Å; A619-H623 PolarHBondContact O-ND1 3.39Å; S620-H623 CarbonylContact O-C 3.58Å; S620-H623 PolarHBondContact O-N 2.79Å; H623-R627 WeakPolarHBondContact O-CB 3.14Å; H623-R627 VanDerWaalsContact O-CG 3.22Å; H623-R627 WeakPolarHBondContact O-CG 3.4Å; H623-R627 PolarHBondContact O-N 2.71Å; H623-R627 PolarHBondContact O-NE 2.88Å
624	Q	84.1	Confident	71.2	Confident	88 Å²	88	82.5 Å²	82.5	41%	0.411	40%	0.395	S	S	.	.	H	α-helix	trans	-78.1	-45.6	173.4	-164.6	-168.5	49.9	0	0	110.3	S620 E621 L622 L626 R627 K628	S620-Q624 PolarHBondContact O-N 3.32Å; E621-Q624 PolarHBondContact O-N 3.42Å; L622-Q624 VanDerWaalsContact C-N 3.29Å; L622-Q624 PolarHBondContact O-N 2.76Å; Q624-L626 VanDerWaalsContact C-N 3.3Å; Q624-L626 PolarHBondContact O-N 2.72Å; Q624-R627 PolarHBondContact O-N 2.63Å; Q624-R627 VanDerWaalsContact O-N 3.13Å; Q624-K628 HydrophobicContact CG-CD 4.35Å; Q624-K628 HydrophobicContact CG-CG 4.28Å; Q624-K628 WeakPolarHBondContact O-CB 3.36Å; Q624-K628 PolarHBondContact O-N 2.89Å
625	A	77.1	Confident	70.6	Confident	7 Å²	7	85.7 Å²	85.7	6%	0.058	42%	0.415	C	S	.	.	H	α-helix	trans	-60.1	-38.4	175	0	0	0	0	0	112.4	A573 I576 K577 E621 L622 R627	A573-A625 HydrophobicContact CB-CB 4.26Å; I576-A625 HydrophobicContact CB-CB 4.33Å; I576-A625 HydrophobicContact CG2-CB 4.09Å; K577-A625 HydrophobicContact CG-CB 4.03Å; E621-A625 WeakPolarHBondContact O-CB 3.42Å; E621-A625 PolarHBondContact O-N 3.37Å; L622-A625 PolarHBondContact O-N 3.37Å; A625-R627 VanDerWaalsContact C-N 3.31Å; A625-R627 PolarHBondContact O-N 2.72Å
626	L	75.3	Confident	68.8	Low	9 Å²	9	88.3 Å²	88.3	5%	0.047	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-9.5	177.3	-70.3	172.5	0	0	0	114.7	I576 R586 L589 R590 L622 Q624	I576-L626 HydrophobicContact CD1-CD2 4.46Å; R586-L626 HydrophobicContact CB-CD2 3.92Å; R586-L626 HydrophobicContact CG-CD2 3.82Å; L589-L626 HydrophobicContact CB-CD1 4.29Å; L589-L626 HydrophobicContact CB-CD2 4.45Å; L589-L626 HydrophobicContact CD1-CD2 3.95Å; R590-L626 PolarHBondContact NH2-O 2.85Å; L622-L626 HydrophobicContact CD1-CD1 4.27Å; L622-L626 HydrophobicContact CD1-CG 4.4Å; L622-L626 HydrophobicContact CG-CD1 4.04Å; L622-L626 VanDerWaalsContact O-CB 3.29Å; L622-L626 WeakPolarHBondContact O-CB 3.39Å; L622-L626 WeakPolarHBondContact O-CG 3.14Å; L622-L626 PolarHBondContact O-N 3.02Å; Q624-L626 VanDerWaalsContact C-N 3.3Å; Q624-L626 PolarHBondContact O-N 2.72Å
627	R	69.9	Low	66.8	Low	148 Å²	148	88.5 Å²	88.5	56%	0.558	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-31.2	179.7	-71.5	-170.8	-72.9	171.3	3.3	114.4	H623 Q624 A625 R629 E630	H623-R627 WeakPolarHBondContact O-CB 3.14Å; H623-R627 VanDerWaalsContact O-CG 3.22Å; H623-R627 WeakPolarHBondContact O-CG 3.4Å; H623-R627 PolarHBondContact O-N 2.71Å; H623-R627 PolarHBondContact O-NE 2.88Å; Q624-R627 PolarHBondContact O-N 2.63Å; Q624-R627 VanDerWaalsContact O-N 3.13Å; A625-R627 VanDerWaalsContact C-N 3.31Å; A625-R627 PolarHBondContact O-N 2.72Å; R627-R629 PolarHBondContact O-N 3.48Å; R627-E630 WeakPolarHBondContact CB-OE2 3.38Å; R627-E630 VanDerWaalsContact CG-OE2 3.25Å; R627-E630 WeakPolarHBondContact CG-OE2 3.4Å; R627-E630 PolarHBondContact O-N 3.03Å; R627-E630 VanDerWaalsContact O-N 3.17Å
628	K	60.9	Low	64.7	Low	160 Å²	160	86.8 Å²	86.8	70%	0.696	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	16	179.8	-86.2	-160.9	170.7	-158.6	0	116.4	Q624	Q624-K628 HydrophobicContact CG-CD 4.35Å; Q624-K628 HydrophobicContact CG-CG 4.28Å; Q624-K628 WeakPolarHBondContact O-CB 3.36Å; Q624-K628 PolarHBondContact O-N 2.89Å
629	R	54.3	Low	62.5	Low	98 Å²	98	89.4 Å²	89.4	37%	0.37	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.8	33.2	173.5	-62.7	-165.1	-159.6	-82.6	9.7	111.9	V579 R586 R627 E631	V579-R629 PolarHBondContact O-NH2 2.89Å; R586-R629 PolarHBondContact NH1-O 2.02Å; R586-R629 VanDerWaalsContact NH2-CB 3.34Å; R586-R629 PolarHBondContact NH2-O 2.8Å; R627-R629 PolarHBondContact O-N 3.48Å; R629-E631 PolarHBondContact O-N 2.78Å
630	E	50.8	Low	60.6	Low	106 Å²	106	91.2 Å²	91.2	50%	0.495	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	0.6	-177.1	-84.2	177.6	137	0	0	114.9	R590 R627	R590-E630 IonicContact CZ-OE1 3.27Å; R590-E630 VanDerWaalsContact CZ-OE1 3.27Å; R590-E630 IonicContact NH1-OE1 2.9Å; R590-E630 PolarHBondContact NH1-OE1 3.47Å; R590-E630 IonicContact NH2-OE1 2.67Å; R590-E630 PolarHBondContact NH2-OE1 2.83Å; R627-E630 WeakPolarHBondContact CB-OE2 3.38Å; R627-E630 VanDerWaalsContact CG-OE2 3.25Å; R627-E630 WeakPolarHBondContact CG-OE2 3.4Å; R627-E630 PolarHBondContact O-N 3.03Å; R627-E630 VanDerWaalsContact O-N 3.17Å
631	E	47.2	Very low	58.2	Low	190 Å²	190	92 Å²	92	89%	0.888	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-24.9	-177	-67.8	158.2	163.8	0	0	114.3	R629 K633	R629-E631 PolarHBondContact O-N 2.78Å; E631-K633 PolarHBondContact O-N 3.02Å
632	E	48.4	Very low	55.7	Low	115 Å²	115	95.5 Å²	95.5	54%	0.537	48%	0.482	S	S	.	.	S	Bend	trans	-75	112	168.1	-75.2	-174.9	120.7	0	0	109.6	D634	E632-D634 PolarHBondContact O-N 2.97Å
633	K	44.8	Very low	53.3	Low	202 Å²	202	98.6 Å²	98.6	88%	0.878	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-52.5	121.7	173.1	-74.6	172.8	178	166.2	0	110.2	E631 S635	E631-K633 PolarHBondContact O-N 3.02Å; K633-S635 PolarHBondContact O-N 3.27Å
634	D	45.7	Very low	51.1	Low	96 Å²	96	101.3 Å²	101.3	51%	0.513	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-47.7	117.9	164.5	-88.1	-26.4	0	0	0	108.5	E632 A636	E632-D634 PolarHBondContact O-N 2.97Å; D634-A636 PolarHBondContact O-N 2.92Å
635	S	47.9	Very low	48.8	Very low	84 Å²	84	107 Å²	107	59%	0.587	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-59.9	136.9	-174.5	65.7	0	0	0	0	110	K633 A637 M638	K633-S635 PolarHBondContact O-N 3.27Å; S635-A637 PolarHBondContact O-N 3.02Å; S635-M638 PolarHBondContact O-N 3.33Å
636	A	42.8	Very low	47	Very low	76 Å²	76	117.1 Å²	117.1	63%	0.628	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-59.5	-19.9	-163.9	0	0	0	0	0	114.3	D634 M638	D634-A636 PolarHBondContact O-N 2.92Å; A636-M638 VanDerWaalsContact C-N 3.29Å; A636-M638 PolarHBondContact O-N 2.85Å
637	A	42.6	Very low	45.7	Very low	75 Å²	75	120.5 Å²	120.5	62%	0.62	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-60.6	-29.2	173.5	0	0	0	0	0	114.3	S635	S635-A637 PolarHBondContact O-N 3.02Å
638	M	45.8	Very low	44.8	Very low	34 Å²	34	122.4 Å²	122.4	17%	0.167	62%	0.622	C	S	.	*	G	3₁₀ helix	trans	-105.4	24.4	-172.8	-159.7	56.9	108.9	0	0	113.5	P585 S635 A636 F640 L660 A664	P585-M638 HydrophobicContact CG-CE 3.98Å; S635-M638 PolarHBondContact O-N 3.33Å; A636-M638 VanDerWaalsContact C-N 3.29Å; A636-M638 PolarHBondContact O-N 2.85Å; M638-F640 HydrophobicContact CG-CE2 3.75Å; M638-F640 HydrophobicContact CG-CZ 4.3Å; M638-F640 WeakPolarHBondContact O-CD2 3.25Å; M638-F640 WeakPolarHBondContact O-CE2 3.43Å; M638-F640 PolarHBondContact O-N 2.82Å; M638-F640 HydrophobicContact SD-CE2 3.92Å; M638-F640 HydrophobicContact SD-CZ 3.89Å; M638-L660 HydrophobicContact CE-CB 3.96Å; M638-L660 HydrophobicContact SD-CB 4.39Å; M638-A664 HydrophobicContact CE-CB 4.4Å
639	R	42.7	Very low	44.6	Very low	199 Å²	199	118.4 Å²	118.4	75%	0.751	61%	0.607	S	S	*	*			trans	-74.5	92.9	174.1	-73.4	-175.5	175.1	-174.1	-1	111.6	S641	R639-S641 PolarHBondContact O-N 3.15Å
640	F	49.8	Very low	44.8	Very low	43 Å²	43	115 Å²	115	19%	0.189	60%	0.598	C	S	.	*			trans	-57.5	119.2	171.7	-65.2	-96.9	0	0	0	110.9	P585 S587 M638 T642 L660	P585-F640 HydrophobicContact CB-CE2 4.26Å; P585-F640 HydrophobicContact CB-CZ 4.39Å; S587-F640 WeakPolarHBondContact OG-CD2 3.38Å; S587-F640 WeakPolarHBondContact OG-CE2 3.28Å; M638-F640 HydrophobicContact CG-CE2 3.75Å; M638-F640 HydrophobicContact CG-CZ 4.3Å; M638-F640 WeakPolarHBondContact O-CD2 3.25Å; M638-F640 WeakPolarHBondContact O-CE2 3.43Å; M638-F640 PolarHBondContact O-N 2.82Å; M638-F640 HydrophobicContact SD-CE2 3.92Å; M638-F640 HydrophobicContact SD-CZ 3.89Å; F640-T642 PolarHBondContact O-N 2.87Å; F640-T642 VanDerWaalsContact O-N 3.16Å; F640-L660 HydrophobicContact CE1-CD1 3.66Å; F640-L660 HydrophobicContact CE1-CD2 3.71Å; F640-L660 HydrophobicContact CE1-CG 4.28Å; F640-L660 HydrophobicContact CZ-CD1 3.81Å; F640-L660 HydrophobicContact CZ-CD2 4.28Å
641	S	36.4	Very low	45.1	Very low	96 Å²	96	115.4 Å²	115.4	67%	0.671	60%	0.603	S	S	*	*			trans	-57.3	120.7	175.4	-67.7	0	0	0	0	111.5	R639 S643	R639-S641 PolarHBondContact O-N 3.15Å; S641-S643 PolarHBondContact O-N 3.33Å
642	T	35	Very low	46.6	Very low	145 Å²	145	110 Å²	110	89%	0.89	58%	0.575	S	S	*	*			trans	-76.2	35.3	175.4	43.8	0	0	0	0	112.8	F640 G644	F640-T642 PolarHBondContact O-N 2.87Å; F640-T642 VanDerWaalsContact O-N 3.16Å; T642-G644 PolarHBondContact O-N 3.41Å
643	S	33.8	Very low	48.2	Very low	69 Å²	69	104.6 Å²	104.6	48%	0.483	55%	0.549	S	S	.	.			trans	-68.9	118.8	172	-175.1	0	0	0	0	109.3	S641 R645	S641-S643 PolarHBondContact O-N 3.33Å; S643-R645 PolarHBondContact O-N 2.8Å
644	G	37.8	Very low	50	Low	88 Å²	88	96.9 Å²	96.9	91%	0.907	52%	0.516	S	S	*	.			trans	-66.4	27	-173	0	0	0	0	0	117.1	T642	T642-G644 PolarHBondContact O-N 3.41Å
645	R	36.4	Very low	51.6	Low	208 Å²	208	96.1 Å²	96.1	79%	0.785	51%	0.508	S	S	*	.	S	Bend	trans	-72.3	134.6	169.8	-66.8	177.9	175.3	158.7	1.5	109.1	S643 K647	S643-R645 PolarHBondContact O-N 2.8Å; R645-K647 PolarHBondContact O-N 2.78Å
646	K	39.7	Very low	53.1	Low	218 Å²	218	95.1 Å²	95.1	95%	0.948	49%	0.492	S	S	*	.			trans	-60.9	92.1	172.4	-70.1	-178.9	178.9	178.2	0	110.2
647	K	47.7	Very low	54.7	Low	80 Å²	80	91.5 Å²	91.5	35%	0.348	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-63.5	133.9	175.4	-66.5	173.3	-177.4	171.4	0	109.3	E591 R645	E591-K647 WeakPolarHBondContact OE1-CD 3.47Å; E591-K647 WeakPolarHBondContact OE1-CE 3.28Å; E591-K647 IonicContact OE1-NZ 3.25Å; E591-K647 PolarHBondContact OE1-NZ 2.45Å; E591-K647 IonicContact OE2-NZ 2.63Å; E591-K647 PolarHBondContact OE2-NZ 3.22Å; R645-K647 PolarHBondContact O-N 2.78Å
648	R	50.1	Low	56.4	Low	188 Å²	188	90.9 Å²	90.9	71%	0.709	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-67.1	132.8	171.9	-69.4	-179.3	174.6	177.8	-3.5	108.9
649	I	56.6	Low	57.7	Low	76 Å²	76	91.5 Å²	91.5	39%	0.39	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-62	128.7	175	-55.3	100.5	0	0	0	108.8	P548 F592	P548-I649 HydrophobicContact CG-CD1 3.86Å; P548-I649 HydrophobicContact CG-CG1 4.06Å; F592-I649 HydrophobicContact CD1-CG2 4.27Å
650	P	58.2	Low	59	Low	27 Å²	27	83.1 Å²	83.1	18%	0.175	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-68.8	135.1	-178.6	28	-35.2	0	0	0	111.4	F592 R652 L653 Y656	F592-P650 HydrophobicContact CD1-CG 4.24Å; F592-P650 HydrophobicContact CD2-CG 4.09Å; F592-P650 VanDerWaalsContact CE1-CD 3.44Å; F592-P650 HydrophobicContact CE1-CG 4.42Å; F592-P650 HydrophobicContact CE2-CG 4.31Å; F592-P650 HydrophobicContact CG-CG 4.07Å; F592-P650 HydrophobicContact CZ-CG 4.46Å; P650-R652 PolarHBondContact O-N 3.16Å; P650-L653 HydrophobicContact CG-CD2 3.74Å; P650-Y656 HydrophobicContact CB-CD1 4.12Å; P650-Y656 HydrophobicContact CB-CD2 4.44Å; P650-Y656 HydrophobicContact CB-CG 3.9Å; P650-Y656 HydrophobicContact CG-CD1 3.97Å; P650-Y656 HydrophobicContact CG-CG 4.26Å
651	L	57.6	Low	60	Low	114 Å²	114	82.4 Å²	82.4	60%	0.597	42%	0.416	S	S	*	.	S	Bend	trans	-68.2	-17.8	-178.9	-66.4	171.2	0	0	0	114.3	S328 R332	S328-L651 WeakPolarHBondContact OG-CD1 3.26Å; R332-L651 PolarHBondContact NH1-O 2.75Å
652	R	79.9	Confident	61.3	Low	77 Å²	77	82.8 Å²	82.8	29%	0.291	41%	0.408	S	S	.	.			trans	-150.4	111.6	173.7	-65.4	-166.3	-162.2	-156.1	6.9	109.5	D540 P650 K655 Y656	D540-R652 VanDerWaalsContact CG-CA 3.49Å; D540-R652 VanDerWaalsContact OD1-CA 3.29Å; D540-R652 WeakPolarHBondContact OD1-CA 3.31Å; D540-R652 VanDerWaalsContact OD2-CA 3.27Å; D540-R652 WeakPolarHBondContact OD2-CA 3.27Å; D540-R652 VanDerWaalsContact OD2-CB 3.29Å; D540-R652 WeakPolarHBondContact OD2-CB 3.4Å; P650-R652 PolarHBondContact O-N 3.16Å; R652-K655 HydrophobicContact CB-CB 4.11Å; R652-K655 PolarHBondContact O-N 3.16Å; R652-Y656 WeakPolarHBondContact O-CB 3.31Å; R652-Y656 PolarHBondContact O-N 3.29Å; R652-Y656 VanDerWaalsContact O-N 3.09Å
653	L	81.3	Confident	62.6	Low	2 Å²	2	83.1 Å²	83.1	1%	0.01	39%	0.393	C	S	.	.	H	α-helix	trans	-61.6	-39.5	178.8	-65.5	170.3	0	0	0	112.2	L536 L539 D540 Y564 L588 F592 V593 P650 Y656 C657	L536-L653 HydrophobicContact CB-CB 4.24Å; L536-L653 HydrophobicContact CD1-CB 4.36Å; L536-L653 HydrophobicContact CD2-CB 4.45Å; L539-L653 HydrophobicContact CB-CD1 4.03Å; L539-L653 HydrophobicContact CD1-CD1 3.8Å; D540-L653 PolarHBondContact OD1-N 3.33Å; D540-L653 PolarHBondContact OD2-N 3.43Å; Y564-L653 WeakPolarHBondContact OH-CD1 3.28Å; L588-L653 HydrophobicContact CD2-CB 4.34Å; L588-L653 HydrophobicContact CD2-CD2 3.72Å; F592-L653 HydrophobicContact CB-CD2 3.85Å; F592-L653 HydrophobicContact CD2-CD2 4.34Å; F592-L653 HydrophobicContact CG-CD2 4.34Å; V593-L653 HydrophobicContact CG2-CD1 4.1Å; P650-L653 HydrophobicContact CG-CD2 3.74Å; L653-Y656 PolarHBondContact O-N 3.35Å; L653-C657 WeakPolarHBondContact O-CB 2.98Å; L653-C657 PolarHBondContact O-N 2.95Å
654	H	81.6	Confident	63.9	Low	39 Å²	39	80.6 Å²	80.6	18%	0.181	38%	0.377	C	S	.	.	H	α-helix	trans	-60.7	-50.9	177.2	178	-83.8	0	0	0	111.5	C533 L536 D540 Y656 C657 L658	C533-H654 PolarHBondContact O-CD2 3.35Å; L536-H654 HydrophobicContact CB-CB 4.22Å; D540-H654 VanDerWaalsContact OD2-CB 3.24Å; D540-H654 WeakPolarHBondContact OD2-CB 3.43Å; D540-H654 PolarHBondContact OD2-N 3.21Å; H654-Y656 VanDerWaalsContact C-N 3.26Å; H654-Y656 PolarHBondContact O-N 3.29Å; H654-C657 PolarHBondContact O-N 3.07Å; H654-L658 PolarHBondContact O-N 3.02Å; H654-L658 VanDerWaalsContact O-N 3.1Å
655	K	79	Confident	64.9	Low	80 Å²	80	78.2 Å²	78.2	35%	0.348	34%	0.343	S	S	.	.	H	α-helix	trans	-67.6	-27.5	179	-165.4	169.3	-172.8	172.7	0	112	S327 R652 R659	S327-K655 PolarHBondContact OG-NZ 2.79Å; R652-K655 HydrophobicContact CB-CB 4.11Å; R652-K655 PolarHBondContact O-N 3.16Å; K655-R659 WeakPolarHBondContact O-CD 3.01Å; K655-R659 WeakPolarHBondContact O-CG 3.35Å
656	Y	80.1	Confident	66	Low	63 Å²	63	72.3 Å²	72.3	25%	0.247	33%	0.326	C	S	.	.	H	α-helix	trans	-73	-43.5	173.6	-171.9	-124.1	0	0	0	112.1	L588 F592 P650 R652 L653 H654 R659 L660	L588-Y656 HydrophobicContact CD1-CD1 3.8Å; L588-Y656 HydrophobicContact CD1-CE1 4.34Å; L588-Y656 HydrophobicContact CG-CD1 4.21Å; F592-Y656 HydrophobicContact CE2-CD1 4.25Å; F592-Y656 AromaticContact CE2-CE1 3.69Å; F592-Y656 HydrophobicContact CE2-CE1 3.69Å; F592-Y656 HydrophobicContact CZ-CE1 4.17Å; P650-Y656 HydrophobicContact CB-CD1 4.12Å; P650-Y656 HydrophobicContact CB-CD2 4.44Å; P650-Y656 HydrophobicContact CB-CG 3.9Å; P650-Y656 HydrophobicContact CG-CD1 3.97Å; P650-Y656 HydrophobicContact CG-CG 4.26Å; R652-Y656 WeakPolarHBondContact O-CB 3.31Å; R652-Y656 PolarHBondContact O-N 3.29Å; R652-Y656 VanDerWaalsContact O-N 3.09Å; L653-Y656 PolarHBondContact O-N 3.35Å; H654-Y656 VanDerWaalsContact C-N 3.26Å; H654-Y656 PolarHBondContact O-N 3.29Å; Y656-R659 PolarHBondContact O-N 3.02Å; Y656-L660 HydrophobicContact CD1-CD1 3.77Å; Y656-L660 HydrophobicContact CD2-CD1 4.45Å; Y656-L660 HydrophobicContact CE1-CD1 3.56Å; Y656-L660 HydrophobicContact CE2-CD1 4.27Å; Y656-L660 HydrophobicContact CE2-CG 4.47Å; Y656-L660 HydrophobicContact CG-CD1 4.21Å; Y656-L660 WeakPolarHBondContact O-CD1 3.46Å; Y656-L660 WeakPolarHBondContact O-CG 3.49Å; Y656-L660 PolarHBondContact O-N 3.4Å
657	C	77.6	Confident	66.9	Low	1 Å²	1	67.6 Å²	67.6	1%	0.007	31%	0.309	C	S	.	.	H	α-helix	trans	-56.6	-49.9	174.4	179.8	0	0	0	0	112.2	C533 L536 L588 L653 H654 R659 L660 Q661	C533-C657 WeakPolarHBondContact CA-SG 3.5Å; C533-C657 HydrophobicContact CB-CB 3.71Å; C533-C657 WeakPolarHBondContact CB-SG 3.22Å; C533-C657 WeakPolarHBondContact SG-CB 3.1Å; C533-C657 CovalentContact SG-SG 2.04Å; C533-C657 PolarHBondContact SG-SG 3.38Å; L536-C657 HydrophobicContact CD1-CB 3.5Å; L588-C657 HydrophobicContact CD1-CB 4Å; L653-C657 WeakPolarHBondContact O-CB 2.98Å; L653-C657 PolarHBondContact O-N 2.95Å; H654-C657 PolarHBondContact O-N 3.07Å; C657-R659 VanDerWaalsContact C-N 3.28Å; C657-R659 PolarHBondContact O-N 2.81Å; C657-L660 WeakPolarHBondContact O-CB 2.95Å; C657-L660 PolarHBondContact O-N 2.94Å; C657-Q661 PolarHBondContact O-N 3.12Å
658	L	76.5	Confident	67.3	Low	61 Å²	61	66.9 Å²	66.9	32%	0.319	32%	0.318	S	S	.	.	H	α-helix	trans	-58	-37.6	180	-71.4	173	0	0	0	113	C533 H654 Q661 M662	C533-L658 HydrophobicContact CB-CD2 3.75Å; C533-L658 HydrophobicContact CB-CG 3.92Å; C533-L658 PolarHBondContact SG-N 2.91Å; C533-L658 VanDerWaalsContact SG-N 3.42Å; H654-L658 PolarHBondContact O-N 3.02Å; H654-L658 VanDerWaalsContact O-N 3.1Å; L658-Q661 PolarHBondContact O-N 3.48Å; L658-M662 WeakPolarHBondContact O-CB 2.99Å; L658-M662 PolarHBondContact O-N 3.49Å
659	R	74.2	Confident	67.6	Low	48 Å²	48	64.2 Å²	64.2	18%	0.181	31%	0.313	C	S	.	.	H	α-helix	trans	-69.2	-33.3	176.4	-68.8	165.4	178.8	179.6	5.5	113.3	E324 K655 Y656 C657 R663	E324-R659 VanDerWaalsContact CA-NH2 3.32Å; E324-R659 PolarHBondContact O-NH2 3.4Å; E324-R659 WeakPolarHBondContact OE1-CD 3.36Å; E324-R659 WeakPolarHBondContact OE1-CG 3.18Å; E324-R659 IonicContact OE1-CZ 2.68Å; E324-R659 IonicContact OE1-NE 2.64Å; E324-R659 PolarHBondContact OE1-NE 3.46Å; E324-R659 IonicContact OE1-NH1 3.53Å; E324-R659 WeakPolarHBondContact OE2-CD 3.46Å; E324-R659 IonicContact OE2-CZ 3.28Å; E324-R659 IonicContact OE2-NE 3.05Å; E324-R659 PolarHBondContact OE2-NE 3.1Å; E324-R659 IonicContact OE2-NH1 3.48Å; E324-R659 PolarHBondContact OE2-NH1 3.17Å; K655-R659 WeakPolarHBondContact O-CD 3.01Å; K655-R659 WeakPolarHBondContact O-CG 3.35Å; Y656-R659 PolarHBondContact O-N 3.02Å; C657-R659 VanDerWaalsContact C-N 3.28Å; C657-R659 PolarHBondContact O-N 2.81Å; R659-R663 WeakPolarHBondContact O-CB 3.42Å; R659-R663 VanDerWaalsContact O-CG 3.28Å; R659-R663 WeakPolarHBondContact O-CG 3.43Å; R659-R663 PolarHBondContact O-N 2.97Å; R659-R663 VanDerWaalsContact O-N 3.14Å
660	L	70.3	Confident	67.3	Low	23 Å²	23	66.9 Å²	66.9	12%	0.12	33%	0.328	C	S	.	.	H	α-helix	trans	-72.9	-40.7	177	-68.9	160.1	0	0	0	110.2	L588 M638 F640 Y656 C657 R663 A664	L588-L660 HydrophobicContact CD1-CD1 3.84Å; M638-L660 HydrophobicContact CE-CB 3.96Å; M638-L660 HydrophobicContact SD-CB 4.39Å; F640-L660 HydrophobicContact CE1-CD1 3.66Å; F640-L660 HydrophobicContact CE1-CD2 3.71Å; F640-L660 HydrophobicContact CE1-CG 4.28Å; F640-L660 HydrophobicContact CZ-CD1 3.81Å; F640-L660 HydrophobicContact CZ-CD2 4.28Å; Y656-L660 HydrophobicContact CD1-CD1 3.77Å; Y656-L660 HydrophobicContact CD2-CD1 4.45Å; Y656-L660 HydrophobicContact CE1-CD1 3.56Å; Y656-L660 HydrophobicContact CE2-CD1 4.27Å; Y656-L660 HydrophobicContact CE2-CG 4.47Å; Y656-L660 HydrophobicContact CG-CD1 4.21Å; Y656-L660 WeakPolarHBondContact O-CD1 3.46Å; Y656-L660 WeakPolarHBondContact O-CG 3.49Å; Y656-L660 PolarHBondContact O-N 3.4Å; C657-L660 WeakPolarHBondContact O-CB 2.95Å; C657-L660 PolarHBondContact O-N 2.94Å; L660-R663 PolarHBondContact O-N 3.38Å; L660-A664 PolarHBondContact O-N 3.21Å
661	Q	69.3	Low	66.6	Low	27 Å²	27	76.8 Å²	76.8	13%	0.126	37%	0.368	C	S	.	.	H	α-helix	trans	-62.2	-52.2	173.5	-168.3	57.5	48.6	0	0	111.2	N529 C657 L658 R663 A664 D665	N529-Q661 HydrophobicContact CB-CG 3.8Å; N529-Q661 WeakPolarHBondContact ND2-CG 3.47Å; N529-Q661 PolarHBondContact ND2-NE2 3.06Å; C657-Q661 PolarHBondContact O-N 3.12Å; L658-Q661 PolarHBondContact O-N 3.48Å; Q661-R663 PolarHBondContact O-N 3.5Å; Q661-R663 VanDerWaalsContact O-N 3.12Å; Q661-A664 CarbonylContact O-C 3.57Å; Q661-A664 WeakPolarHBondContact O-CA 3.44Å; Q661-A664 WeakPolarHBondContact O-CB 3.36Å; Q661-A664 PolarHBondContact O-N 3.3Å; Q661-D665 PolarHBondContact NE2-OD1 3.28Å; Q661-D665 PolarHBondContact O-N 3.18Å
662	M	64.4	Low	67	Low	104 Å²	104	75 Å²	75	51%	0.512	36%	0.357	S	S	.	.	H	α-helix	trans	-55	-34.4	176.2	-172.8	-174.6	77.8	0	0	113	L658 I666	L658-M662 WeakPolarHBondContact O-CB 2.99Å; L658-M662 PolarHBondContact O-N 3.49Å; M662-I666 HydrophobicContact CG-CD1 4.25Å; M662-I666 WeakPolarHBondContact O-CD1 3.18Å; M662-I666 VanDerWaalsContact O-CG1 3.22Å; M662-I666 WeakPolarHBondContact O-CG1 3.21Å; M662-I666 PolarHBondContact O-N 3.4Å; M662-I666 VanDerWaalsContact O-N 3.11Å
663	R	62.4	Low	66.4	Low	153 Å²	153	74.8 Å²	74.8	58%	0.577	36%	0.36	S	S	*	.	H	α-helix	trans	-72.7	-39.6	173	-76.9	176.1	-178.1	-167.3	1.2	113	R659 L660 Q661 D665 M667	R659-R663 WeakPolarHBondContact O-CB 3.42Å; R659-R663 VanDerWaalsContact O-CG 3.28Å; R659-R663 WeakPolarHBondContact O-CG 3.43Å; R659-R663 PolarHBondContact O-N 2.97Å; R659-R663 VanDerWaalsContact O-N 3.14Å; L660-R663 PolarHBondContact O-N 3.38Å; Q661-R663 PolarHBondContact O-N 3.5Å; Q661-R663 VanDerWaalsContact O-N 3.12Å; R663-D665 VanDerWaalsContact C-N 3.34Å; R663-M667 WeakPolarHBondContact O-CB 3.14Å; R663-M667 WeakPolarHBondContact O-CG 3.36Å; R663-M667 PolarHBondContact O-N 3.32Å
664	A	61.6	Low	65.5	Low	16 Å²	16	78.9 Å²	78.9	13%	0.132	38%	0.38	C	S	.	.	H	α-helix	trans	-63.5	-42.1	174.4	0	0	0	0	0	111	M638 L660 Q661 M667 A668	M638-A664 HydrophobicContact CE-CB 4.4Å; L660-A664 PolarHBondContact O-N 3.21Å; Q661-A664 CarbonylContact O-C 3.57Å; Q661-A664 WeakPolarHBondContact O-CA 3.44Å; Q661-A664 WeakPolarHBondContact O-CB 3.36Å; Q661-A664 PolarHBondContact O-N 3.3Å; A664-M667 CarbonylContact O-C 3.27Å; A664-M667 PolarHBondContact O-N 3.43Å; A664-A668 WeakPolarHBondContact O-CB 3.39Å; A664-A668 PolarHBondContact O-N 3.4Å
665	D	59.2	Low	64.6	Low	38 Å²	38	81.2 Å²	81.2	20%	0.203	39%	0.392	C	S	.	.	H	α-helix	trans	-60.8	-48.2	176.6	-57.3	-25.3	0	0	0	110.9	N529 Q661 R663 A668 Q669	N529-D665 VanDerWaalsContact ND2-CG 3.26Å; N529-D665 PolarHBondContact ND2-OD1 3.45Å; N529-D665 PolarHBondContact ND2-OD2 3.48Å; Q661-D665 PolarHBondContact NE2-OD1 3.28Å; Q661-D665 PolarHBondContact O-N 3.18Å; R663-D665 VanDerWaalsContact C-N 3.34Å; D665-A668 PolarHBondContact O-N 3.27Å; D665-Q669 PolarHBondContact O-N 3.16Å; D665-Q669 VanDerWaalsContact O-N 3.15Å
666	I	59.4	Low	63.7	Low	83 Å²	83	81.3 Å²	81.3	43%	0.426	39%	0.394	S	S	.	.	H	α-helix	trans	-61.6	-45.3	174.8	-69.5	164	0	0	0	111.4	M662 A668 Q669 L670	M662-I666 HydrophobicContact CG-CD1 4.25Å; M662-I666 WeakPolarHBondContact O-CD1 3.18Å; M662-I666 VanDerWaalsContact O-CG1 3.22Å; M662-I666 WeakPolarHBondContact O-CG1 3.21Å; M662-I666 PolarHBondContact O-N 3.4Å; M662-I666 VanDerWaalsContact O-N 3.11Å; I666-A668 PolarHBondContact O-N 3.32Å; I666-Q669 PolarHBondContact O-N 3.45Å; I666-Q669 VanDerWaalsContact O-N 3.07Å; I666-L670 HydrophobicContact CG2-CD1 3.9Å; I666-L670 WeakPolarHBondContact O-CG 3.29Å; I666-L670 PolarHBondContact O-N 3.26Å; I666-L670 VanDerWaalsContact O-N 3.15Å
667	M	57.4	Low	62.6	Low	119 Å²	119	82.5 Å²	82.5	59%	0.586	40%	0.404	S	S	*	.	H	α-helix	trans	-67.7	-15.5	178	-70.6	-65.4	-55.6	0	0	113.7	R663 A664	R663-M667 WeakPolarHBondContact O-CB 3.14Å; R663-M667 WeakPolarHBondContact O-CG 3.36Å; R663-M667 PolarHBondContact O-N 3.32Å; A664-M667 CarbonylContact O-C 3.27Å; A664-M667 PolarHBondContact O-N 3.43Å
668	A	57.4	Low	61.5	Low	65 Å²	65	88.4 Å²	88.4	54%	0.537	43%	0.433	S	S	.	.	H	α-helix	trans	-93.9	-10.5	173	0	0	0	0	0	113.3	A664 D665 I666	A664-A668 WeakPolarHBondContact O-CB 3.39Å; A664-A668 PolarHBondContact O-N 3.4Å; D665-A668 PolarHBondContact O-N 3.27Å; I666-A668 PolarHBondContact O-N 3.32Å
669	Q	56.3	Low	60.4	Low	132 Å²	132	90.5 Å²	90.5	62%	0.617	44%	0.441	S	S	*	.	H	α-helix	trans	-96.4	-12.3	169.7	-68.6	-177.8	-2.3	0	0	113	D665 I666 K671	D665-Q669 PolarHBondContact O-N 3.16Å; D665-Q669 VanDerWaalsContact O-N 3.15Å; I666-Q669 PolarHBondContact O-N 3.45Å; I666-Q669 VanDerWaalsContact O-N 3.07Å; Q669-K671 VanDerWaalsContact C-N 3.32Å
670	L	49.4	Very low	59.2	Low	133 Å²	133	94 Å²	94	70%	0.696	46%	0.463	S	S	*	.			trans	-98.9	27.8	173.5	-63.1	172.2	0	0	0	111.8	I666	I666-L670 HydrophobicContact CG2-CD1 3.9Å; I666-L670 WeakPolarHBondContact O-CG 3.29Å; I666-L670 PolarHBondContact O-N 3.26Å; I666-L670 VanDerWaalsContact O-N 3.15Å
671	K	43.5	Very low	58.2	Low	235 Å²	235	100.5 Å²	100.5	100%	1.022	49%	0.494	S	S	*	.			trans	-142	0	178.9	-83.5	-167.2	168.3	-159.1	0	109.7	Q669	Q669-K671 VanDerWaalsContact C-N 3.32Å

Retrieved 671 of 671 residues in 528.7 ms (Link to these results)

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