A0A087X3D2_POEFO Loading...

Heat shock 70 kDa protein 12A

Adapter protein for SORL1, but not SORT1. Delays SORL1 internalization and affects SORL1 subcellular localization.

AlphaFold DB , UniProt , Accession A0A087X3D2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 674 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	30.2	Very low	235 Å²	235	145 Å²	145	100%	1.158	78%	0.784	S	S	*	*				0	115.3	0	-68.8	164.7	166.2	0	0	105.4
2	M	29.1	Very low	29.9	Very low	178 Å²	178	147.3 Å²	147.3	88%	0.877	79%	0.792	S	S	*	*				52.6	125.6	66.4	-72.3	-178.3	163.6	0	0	110.5
3	T	30.9	Very low	29.9	Very low	116 Å²	116	146.4 Å²	146.4	71%	0.712	79%	0.785	S	S	*	*			cis	-163.2	145.8	19.6	2	0	0	0	0	112.2
4	E	33.7	Very low	29.7	Very low	146 Å²	146	144.2 Å²	144.2	68%	0.682	78%	0.78	S	S	*	*			trans	42	141.9	131.6	-74.5	-162.3	143.9	0	0	126.4
5	K	32.2	Very low	29.6	Very low	158 Å²	158	144 Å²	144	69%	0.687	78%	0.778	S	S	*	*			trans	79.6	95.6	136.9	-76.1	168.9	-174.6	142.9	0	122.7
6	D	34.4	Very low	29.4	Very low	146 Å²	146	145.3 Å²	145.3	78%	0.781	78%	0.778	S	S	*	*				49.8	127.6	93.7	-148.7	12.2	0	0	0	120.9
7	T	29.9	Very low	29.3	Very low	138 Å²	138	146.6 Å²	146.6	85%	0.847	78%	0.78	S	S	*	*			trans	166.1	128.8	130.9	30.8	0	0	0	0	113.6
8	G	28.3	Very low	29	Very low	68 Å²	68	144.2 Å²	144.2	70%	0.701	78%	0.784	S	S	*	*			trans	61.6	149.2	135.2	0	0	0	0	0	121.6
9	T	27.8	Very low	29.1	Very low	128 Å²	128	145.3 Å²	145.3	79%	0.785	79%	0.789	S	S	*	*			cis	-169.5	146.6	0.2	16.1	0	0	0	0	108.9
10	E	29.9	Very low	29	Very low	165 Å²	165	144.4 Å²	144.4	77%	0.771	79%	0.791	S	S	*	*			trans	42.3	151.9	145.6	-49.7	-176.3	161.9	0	0	121.6
11	N	26.5	Very low	28.8	Very low	117 Å²	117	142.9 Å²	142.9	63%	0.626	79%	0.791	S	S	*	*			cis	-164.1	163.7	39.6	-111.5	-58.7	0	0	0	111.3
12	I	27.2	Very low	29	Very low	172 Å²	172	140.2 Å²	140.2	88%	0.882	78%	0.781	S	S	*	*			trans	-176.6	145.7	138.8	-94.5	155	0	0	0	111.6
13	I	29.1	Very low	28.7	Very low	136 Å²	136	137 Å²	137	70%	0.697	78%	0.775	S	S	*	*			trans	-152.2	144.7	-162.5	-91.2	167.2	0	0	0	106.1
14	T	27.1	Very low	28.9	Very low	116 Å²	116	141.6 Å²	141.6	71%	0.712	79%	0.786	S	S	*	*			cis	-151.9	154.4	9.5	12.2	0	0	0	0	108.7
15	D	28	Very low	28.5	Very low	141 Å²	141	139.8 Å²	139.8	75%	0.754	79%	0.789	S	S	*	*				64.7	144.7	101	-122.9	-5.3	0	0	0	115.2
16	E	27.2	Very low	28.3	Very low	165 Å²	165	136.8 Å²	136.8	77%	0.771	80%	0.803	S	S	*	*			cis	-146.3	155	32.8	-75.5	-174.4	118.7	0	0	117
17	M	27.9	Very low	28.1	Very low	167 Å²	167	132.6 Å²	132.6	82%	0.823	79%	0.794	S	S	*	*			trans	36.6	129.1	141.7	-59.1	-155.7	-172.2	0	0	125.6
18	A	24	Very low	28.6	Very low	103 Å²	103	132 Å²	132	85%	0.851	79%	0.786	S	S	*	*				-159	141.5	124.8	0	0	0	0	0	112.9
19	N	29.5	Very low	29.6	Very low	165 Å²	165	130.8 Å²	130.8	88%	0.882	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-65.8	149.7	-175.6	-75.3	-45.8	0	0	0	115.8
20	P	28.7	Very low	30.8	Very low	127 Å²	127	125.2 Å²	125.2	83%	0.825	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-88.2	133.5	155	33.7	-28.6	0	0	0	111.8
21	S	23.9	Very low	32.8	Very low	113 Å²	113	117.4 Å²	117.4	79%	0.79	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-86.4	157.8	-179.1	50.9	0	0	0	0	113.6	S23	S21-S23 PolarHBondContact O-N 3.33Å
22	L	33.3	Very low	34.8	Very low	179 Å²	179	112.5 Å²	112.5	94%	0.937	67%	0.672	S	S	*	*			trans	-65	111.7	173.3	-77.3	131	0	0	0	111.5
23	S	24.3	Very low	36.6	Very low	110 Å²	110	106.3 Å²	106.3	77%	0.769	64%	0.643	S	S	*	*			trans	-103.9	108.2	163.3	55.8	0	0	0	0	110.8	S21 S25	S21-S23 PolarHBondContact O-N 3.33Å; S23-S25 PolarHBondContact O-N 3.21Å
24	K	34	Very low	37.9	Very low	214 Å²	214	102.4 Å²	102.4	93%	0.93	62%	0.623	S	S	*	*			trans	-73.8	110	165.6	-74.5	179.1	177.3	176.1	0	108.5
25	S	26.3	Very low	38.3	Very low	108 Å²	108	102.1 Å²	102.1	76%	0.755	63%	0.626	S	S	*	*			trans	-121.5	125.8	158.7	61.1	0	0	0	0	109.6	S23 G27	S23-S25 PolarHBondContact O-N 3.21Å; S25-G27 PolarHBondContact O-N 2.91Å
26	G	27.5	Very low	38.6	Very low	94 Å²	94	99.9 Å²	99.9	97%	0.969	62%	0.619	S	S	*	*			trans	-71.9	94.2	175.6	0	0	0	0	0	109.6
27	G	29.8	Very low	38.9	Very low	58 Å²	58	94.8 Å²	94.8	60%	0.598	60%	0.602	S	S	*	*			trans	-93.1	133.8	173	0	0	0	0	0	111.2	S25	S25-G27 PolarHBondContact O-N 2.91Å
28	D	39.9	Very low	39.2	Very low	125 Å²	125	94.4 Å²	94.4	67%	0.668	60%	0.598	S	S	*	*			trans	-50.9	125.7	179.1	-168.2	17.7	0	0	0	112.5	G30	D28-G30 PolarHBondContact O-N 3.21Å
29	P	48.8	Very low	39.9	Very low	43 Å²	43	95 Å²	95	28%	0.279	59%	0.585	S	S	.	*			trans	-78.2	51	-173.5	33	-39.6	0	0	0	114.2	Q596 V600	P29-Q596 PolarHBondContact O-NE2 3.4Å; P29-V600 HydrophobicContact CB-CG2 4.48Å; P29-V600 HydrophobicContact CG-CB 3.92Å; P29-V600 HydrophobicContact CG-CG2 3.74Å
30	G	53.1	Low	40.1	Very low	12 Å²	12	96.3 Å²	96.3	12%	0.124	59%	0.586	C	S	.	*			trans	-61.9	166.5	-173.6	0	0	0	0	0	116.5	D28 A592	D28-G30 PolarHBondContact O-N 3.21Å; G30-A592 WeakPolarHBondContact O-CB 3.39Å; G30-A592 PolarHBondContact O-N 2.66Å
31	I	73.3	Confident	40.3	Very low	1 Å²	1	96.3 Å²	96.3	1%	0.005	58%	0.575	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.8	155.7	-179	50.5	155.6	0	0	0	111.2	V540 V542 L543 Y589 I599 I601	I31-V540 HydrophobicContact CD1-CG2 4.47Å; I31-V542 HydrophobicContact CD1-CG1 4.08Å; I31-V542 HydrophobicContact CG1-CG1 4.25Å; I31-L543 PolarHBondContact O-N 3.3Å; I31-Y589 HydrophobicContact CD1-CD1 3.87Å; I31-Y589 HydrophobicContact CD1-CD2 3.82Å; I31-Y589 HydrophobicContact CD1-CE1 4.35Å; I31-Y589 HydrophobicContact CD1-CE2 4.24Å; I31-Y589 HydrophobicContact CD1-CG 3.63Å; I31-I599 HydrophobicContact CG2-CG2 3.63Å; I31-I601 HydrophobicContact CD1-CB 4.47Å; I31-I601 HydrophobicContact CD1-CD1 4.3Å; I31-I601 HydrophobicContact CD1-CG1 4.03Å; I31-I601 HydrophobicContact CD1-CG2 3.96Å
32	T	68.9	Low	40.6	Very low	13 Å²	13	95 Å²	95	8%	0.08	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.1	141.6	-179.7	63.2	0	0	0	0	112	L543 W564 Y589 T590	T32-L543 WeakPolarHBondContact CA-O 3.22Å; T32-L543 WeakPolarHBondContact CB-O 3.17Å; T32-L543 HydrophobicContact CG2-CB 3.81Å; T32-L543 WeakPolarHBondContact CG2-O 3.47Å; T32-W564 HydrophobicContact CG2-CE3 4.01Å; T32-W564 HydrophobicContact CG2-CH2 3.71Å; T32-W564 HydrophobicContact CG2-CZ3 3.37Å; T32-Y589 CarbonylContact O-C 3.52Å; T32-Y589 WeakPolarHBondContact O-CA 3.44Å; T32-T590 PolarHBondContact N-O 2.79Å; T32-T590 PolarHBondContact O-N 3.23Å; T32-T590 WeakPolarHBondContact OG1-CG2 3.23Å; T32-T590 PolarHBondContact OG1-O 2.94Å
33	P	64.2	Low	40.6	Very low	43 Å²	43	94.8 Å²	94.8	28%	0.279	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.3	151.4	-173.8	29.4	-34.9	0	0	0	114.6	L543 Y589	P33-L543 WeakPolarHBondContact CD-O 3.21Å; P33-Y589 HydrophobicContact CB-CD1 4.14Å; P33-Y589 HydrophobicContact CB-CE1 4.07Å
34	L	55.9	Low	41	Very low	53 Å²	53	95.2 Å²	95.2	28%	0.277	56%	0.564	S	S	.	*			trans	-115.2	158	166.6	-60.4	169.6	0	0	0	108.5	S588 T590 E640	L34-S588 PolarHBondContact N-O 3.24Å; L34-T590 HydrophobicContact CD2-CG2 4.36Å; L34-E640 HydrophobicContact CD1-CB 4.39Å; L34-E640 HydrophobicContact CD1-CG 3.99Å
35	S	35.9	Very low	40.9	Very low	110 Å²	110	90.7 Å²	90.7	77%	0.769	55%	0.55	S	S	*	.			trans	-52.2	136	-169.6	-53.9	0	0	0	0	113.6
36	P	33.4	Very low	41.2	Very low	94 Å²	94	94.5 Å²	94.5	61%	0.61	56%	0.555	S	S	*	*			trans	-74.2	146	-174.8	30.2	-35.4	0	0	0	112.6
37	S	34.6	Very low	41.5	Very low	59 Å²	59	96.7 Å²	96.7	41%	0.413	55%	0.55	S	S	.	.			trans	-131.9	129.5	166	55.7	0	0	0	0	109.8
38	H	34.1	Very low	41.7	Very low	159 Å²	159	102.9 Å²	102.9	74%	0.736	56%	0.563	S	S	*	*			trans	-92	131.9	168.7	-75.2	-94.1	0	0	0	108.5
39	I	38.7	Very low	41.7	Very low	114 Å²	114	102.6 Å²	102.6	59%	0.585	57%	0.571	S	S	*	*			trans	-122.5	110.6	174	-58.8	176.4	0	0	0	106.6
40	Q	33.8	Very low	41.6	Very low	193 Å²	193	103 Å²	103	90%	0.902	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-76.4	120.8	154	-76.5	177.1	-39.9	0	0	106.4	S42	Q40-S42 PolarHBondContact O-N 3.02Å
41	Q	33.6	Very low	41.7	Very low	127 Å²	127	105.6 Å²	105.6	59%	0.593	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-67.1	129.2	165.4	-85.6	176.1	-64.8	0	0	108.2	D45	Q41-D45 PolarHBondContact NE2-OD2 3.2Å
42	S	29.3	Very low	41.9	Very low	86 Å²	86	110.8 Å²	110.8	60%	0.601	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-72.8	150.3	161.3	49.6	0	0	0	0	109.7	Q40 T44	Q40-S42 PolarHBondContact O-N 3.02Å; S42-T44 PolarHBondContact O-N 3.03Å
43	D	33	Very low	43	Very low	175 Å²	175	110.6 Å²	110.6	94%	0.936	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	37.2	-172.5	-65.9	-58	0	0	0	116.3
44	T	33.6	Very low	44.5	Very low	118 Å²	118	111.1 Å²	111.1	72%	0.724	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.9	16.8	-171.1	56.2	0	0	0	0	114.9	S42	S42-T44 PolarHBondContact O-N 3.03Å
45	D	31.3	Very low	46.4	Very low	119 Å²	119	108.6 Å²	108.6	64%	0.636	62%	0.621	S	S	*	*	S	Bend	trans	-85.8	131.4	163.1	-84.4	-35.7	0	0	0	110.2	Q41 V47	Q41-D45 PolarHBondContact NE2-OD2 3.2Å; D45-V47 PolarHBondContact O-N 3.01Å
46	Q	32.4	Very low	49.4	Very low	188 Å²	188	103.5 Å²	103.5	88%	0.879	59%	0.585	S	S	*	*			trans	-58.5	127.9	-172.2	-66.7	175.4	-10.4	0	0	111.5	Q48	Q46-Q48 PolarHBondContact O-N 3.16Å
47	V	33.6	Very low	52.5	Low	141 Å²	141	99 Å²	99	86%	0.855	56%	0.556	S	S	*	*			trans	-59.5	100.6	171	179.8	0	0	0	0	108.4	D45 S49	D45-V47 PolarHBondContact O-N 3.01Å; V47-S49 PolarHBondContact O-N 3.38Å; V47-S49 VanDerWaalsContact O-N 3.07Å
48	Q	33.8	Very low	55.5	Low	188 Å²	188	96.2 Å²	96.2	88%	0.879	54%	0.537	S	S	*	.			trans	-59.5	115	169.2	-122.5	178.5	3.8	0	0	106.8	Q46 G50	Q46-Q48 PolarHBondContact O-N 3.16Å; Q48-G50 VanDerWaalsContact C-N 3.32Å; Q48-G50 PolarHBondContact O-N 2.58Å
49	S	39.6	Very low	58.6	Low	118 Å²	118	88.6 Å²	88.6	83%	0.825	50%	0.501	S	S	*	.			trans	-65.9	93.5	-178.5	58.5	0	0	0	0	109.2	V47	V47-S49 PolarHBondContact O-N 3.38Å; V47-S49 VanDerWaalsContact O-N 3.07Å
50	G	48.3	Very low	61.4	Low	52 Å²	52	83.5 Å²	83.5	54%	0.536	48%	0.475	S	S	.	.			trans	-58.2	163.5	171.7	0	0	0	0	0	111.1	Q48 S52	Q48-G50 VanDerWaalsContact C-N 3.32Å; Q48-G50 PolarHBondContact O-N 2.58Å; G50-S52 PolarHBondContact O-N 2.89Å; G50-S52 VanDerWaalsContact O-N 3.09Å
51	P	54	Low	64.3	Low	66 Å²	66	74.3 Å²	74.3	43%	0.429	43%	0.432	S	S	.	.			trans	-51.3	121.3	178.3	19.6	-31.5	0	0	0	110.8	F53	P51-F53 HydrophobicContact CB-CE1 4.26Å; P51-F53 HydrophobicContact CB-CE2 4.23Å; P51-F53 HydrophobicContact CB-CZ 3.96Å; P51-F53 HydrophobicContact CG-CE1 4.34Å; P51-F53 HydrophobicContact CG-CE2 3.8Å; P51-F53 HydrophobicContact CG-CZ 3.58Å; P51-F53 WeakPolarHBondContact O-CD2 3.37Å; P51-F53 WeakPolarHBondContact O-CE2 3.43Å; P51-F53 PolarHBondContact O-N 3.26Å; P51-F53 VanDerWaalsContact O-N 3.08Å
52	S	77.9	Confident	67.2	Low	110 Å²	110	68.8 Å²	68.8	77%	0.769	41%	0.41	S	S	*	.			trans	-78.7	92.4	177.7	-171.8	0	0	0	0	108.5	G50	G50-S52 PolarHBondContact O-N 2.89Å; G50-S52 VanDerWaalsContact O-N 3.09Å
53	F	92.8	Very high	70.4	Confident	10 Å²	10	65.1 Å²	65.1	4%	0.044	38%	0.383	C	S	.	.			trans	-68.3	140.1	174.6	-56.5	-76.4	0	0	0	110.2	P51 T73 N194 R196 Q230	P51-F53 HydrophobicContact CB-CE1 4.26Å; P51-F53 HydrophobicContact CB-CE2 4.23Å; P51-F53 HydrophobicContact CB-CZ 3.96Å; P51-F53 HydrophobicContact CG-CE1 4.34Å; P51-F53 HydrophobicContact CG-CE2 3.8Å; P51-F53 HydrophobicContact CG-CZ 3.58Å; P51-F53 WeakPolarHBondContact O-CD2 3.37Å; P51-F53 WeakPolarHBondContact O-CE2 3.43Å; P51-F53 PolarHBondContact O-N 3.26Å; P51-F53 VanDerWaalsContact O-N 3.08Å; F53-T73 WeakPolarHBondContact O-CG2 3.1Å; F53-T73 PolarHBondContact O-OG1 2.93Å; F53-N194 CarbonylContact C-O 3.6Å; F53-R196 HydrophobicContact CB-CB 3.85Å; F53-R196 HydrophobicContact CD1-CB 4.2Å; F53-R196 HydrophobicContact CD2-CB 3.74Å; F53-R196 HydrophobicContact CD2-CG 4.32Å; F53-R196 HydrophobicContact CE2-CB 4.3Å; F53-R196 HydrophobicContact CG-CB 3.66Å; F53-Q230 HydrophobicContact CE1-CB 4.22Å; F53-Q230 HydrophobicContact CE1-CG 3.81Å; F53-Q230 HydrophobicContact CZ-CB 4.15Å; F53-Q230 HydrophobicContact CZ-CG 4.21Å
54	V	94.9	Very high	73.2	Confident	54 Å²	54	58.6 Å²	58.6	33%	0.327	35%	0.35	S	S	.	.	S	Bend	trans	-87.7	-28	-178.5	-175.6	0	0	0	0	111.1	T73 N194	V54-T73 PolarHBondContact O-N 2.69Å; V54-T73 PolarHBondContact O-OG1 3.16Å; V54-N194 HydrophobicContact CB-CB 4.19Å; V54-N194 HydrophobicContact CG2-CB 4.04Å; V54-N194 PolarHBondContact N-O 2.89Å
55	V	96.8	Very high	76.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.8	-178.8	178.3	0	0	0	0	109.8	V57 Y70 A71 F72 L182 F190 N194 V195 R196	V55-V57 HydrophobicContact CG1-CG2 3.82Å; V55-Y70 HydrophobicContact CG1-CD2 4.15Å; V55-Y70 HydrophobicContact CG1-CG 4.46Å; V55-A71 WeakPolarHBondContact CA-O 3.2Å; V55-F72 HydrophobicContact CG2-CD1 3.41Å; V55-F72 VanDerWaalsContact CG2-CD1 3.41Å; V55-F72 HydrophobicContact CG2-CE1 3.45Å; V55-F72 VanDerWaalsContact CG2-CE1 3.45Å; V55-F72 HydrophobicContact CG2-CG 4.2Å; V55-F72 HydrophobicContact CG2-CZ 4.29Å; V55-L182 HydrophobicContact CG1-CD1 4.1Å; V55-L182 HydrophobicContact CG1-CD2 4.04Å; V55-L182 HydrophobicContact CG2-CD2 4.16Å; V55-F190 HydrophobicContact CB-CZ 4.26Å; V55-F190 HydrophobicContact CG2-CE1 4.27Å; V55-F190 HydrophobicContact CG2-CE2 4.12Å; V55-F190 HydrophobicContact CG2-CZ 3.53Å; V55-N194 PolarHBondContact N-O 2.88Å; V55-V195 WeakPolarHBondContact O-CA 3.3Å; V55-R196 PolarHBondContact O-N 2.91Å
56	V	97.8	Very high	79.2	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.7	164.4	175.9	0	0	0	0	107.9	Y70 A71 T73 R196 V198 V520 L524	V56-Y70 CarbonylContact O-C 3.59Å; V56-Y70 WeakPolarHBondContact O-CA 3.25Å; V56-Y70 WeakPolarHBondContact O-CB 3.38Å; V56-A71 PolarHBondContact N-O 3.24Å; V56-A71 PolarHBondContact O-N 3.1Å; V56-T73 HydrophobicContact CG2-CG2 4.22Å; V56-R196 CarbonylContact C-O 3.42Å; V56-R196 WeakPolarHBondContact CA-O 3.29Å; V56-R196 HydrophobicContact CG2-CB 4.29Å; V56-V198 HydrophobicContact CG1-CG2 3.95Å; V56-V520 HydrophobicContact CG1-CG1 4.42Å; V56-L524 HydrophobicContact CB-CD2 4.29Å; V56-L524 HydrophobicContact CB-CG 4.32Å; V56-L524 HydrophobicContact CG2-CD2 3.7Å; V56-L524 HydrophobicContact CG2-CG 3.97Å
57	V	98.2	Very high	82.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.2	171.2	-175.4	0	0	0	0	108.9	V55 Y68 A69 A178 L182 V195 R196 W197 V198	V55-V57 HydrophobicContact CG1-CG2 3.82Å; V57-Y68 HydrophobicContact CG1-CD2 4.24Å; V57-A69 WeakPolarHBondContact CA-O 3.39Å; V57-A178 HydrophobicContact CG1-CB 3.92Å; V57-L182 HydrophobicContact CG2-CD1 4.1Å; V57-V195 HydrophobicContact CB-CG1 3.89Å; V57-V195 HydrophobicContact CG2-CG1 3.53Å; V57-R196 PolarHBondContact N-O 3.02Å; V57-W197 HydrophobicContact CB-CD2 4.46Å; V57-W197 HydrophobicContact CB-CE3 3.8Å; V57-W197 HydrophobicContact CB-CH2 4.23Å; V57-W197 HydrophobicContact CB-CZ3 3.69Å; V57-W197 HydrophobicContact CG1-CE3 3.86Å; V57-W197 HydrophobicContact CG1-CH2 4.03Å; V57-W197 HydrophobicContact CG1-CZ3 3.35Å; V57-W197 HydrophobicContact CG2-CH2 4.47Å; V57-W197 HydrophobicContact CG2-CZ3 4.4Å; V57-W197 CarbonylContact O-C 3.44Å; V57-W197 WeakPolarHBondContact O-CA 3.48Å; V57-V198 PolarHBondContact O-N 2.87Å
58	A	98.4	Very high	85.2	Confident	0 Å²	0	33 Å²	33	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.5	172	0	0	0	0	0	110.9	Y68 A69 V198 L516 A519 V520	A58-Y68 CarbonylContact O-C 3.52Å; A58-Y68 WeakPolarHBondContact O-CA 3.32Å; A58-Y68 WeakPolarHBondContact O-CB 3.48Å; A58-A69 PolarHBondContact N-O 3.13Å; A58-A69 PolarHBondContact O-N 3.07Å; A58-V198 CarbonylContact C-O 3.1Å; A58-V198 WeakPolarHBondContact CA-O 3.39Å; A58-V198 HydrophobicContact CB-CB 4.03Å; A58-L516 HydrophobicContact CB-CD1 4.04Å; A58-L516 WeakPolarHBondContact O-CD1 3.48Å; A58-A519 HydrophobicContact CB-CB 3.68Å; A58-V520 HydrophobicContact CB-CB 4.49Å; A58-V520 HydrophobicContact CB-CG2 3.61Å
59	I	98.4	Very high	88.2	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	114.3	169.3	-58.3	168.4	0	0	0	107.1	F61 L171 F174 W197 V198 T200 L222	I59-F61 HydrophobicContact CG2-CB 4.37Å; I59-F61 HydrophobicContact CG2-CD2 4.33Å; I59-F61 PolarHBondContact O-N 2.7Å; I59-L171 HydrophobicContact CD1-CD2 4.12Å; I59-F174 HydrophobicContact CD1-CB 3.65Å; I59-F174 HydrophobicContact CD1-CG 4.43Å; I59-F174 HydrophobicContact CG1-CB 4.05Å; I59-F174 HydrophobicContact CG2-CB 4.39Å; I59-F174 HydrophobicContact CG2-CD2 3.77Å; I59-F174 HydrophobicContact CG2-CE2 4.23Å; I59-F174 HydrophobicContact CG2-CG 4.04Å; I59-W197 HydrophobicContact CD1-CE3 3.89Å; I59-W197 HydrophobicContact CD1-CZ3 3.84Å; I59-W197 HydrophobicContact CG1-CE3 4.27Å; I59-W197 HydrophobicContact CG1-CZ3 4.17Å; I59-V198 PolarHBondContact N-O 3.3Å; I59-T200 PolarHBondContact O-N 3.45Å; I59-T200 VanDerWaalsContact O-N 3.12Å; I59-L222 HydrophobicContact CD1-CD1 4.26Å; I59-L222 HydrophobicContact CD1-CD2 4.29Å
60	D	97.4	Very high	90.9	Very high	7 Å²	7	18.8 Å²	18.8	4%	0.037	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	98.5	168.5	-175	0.9	0	0	0	108.4	G62 S66 G67 K96 T200 I515 L516	D60-G62 PolarHBondContact O-N 2.74Å; D60-S66 CarbonylContact O-C 3.59Å; D60-S66 WeakPolarHBondContact O-CA 3.4Å; D60-S66 VanDerWaalsContact O-CB 3.32Å; D60-S66 WeakPolarHBondContact O-CB 3.36Å; D60-G67 PolarHBondContact N-O 3.42Å; D60-G67 PolarHBondContact O-N 3.32Å; D60-K96 VanDerWaalsContact OD2-CE 3.29Å; D60-K96 WeakPolarHBondContact OD2-CE 3.25Å; D60-K96 IonicContact OD2-NZ 3.88Å; D60-K96 PolarHBondContact OD2-NZ 3.39Å; D60-T200 VanDerWaalsContact CA-OG1 3.27Å; D60-T200 WeakPolarHBondContact CA-OG1 3.43Å; D60-T200 HydrophobicContact CB-CG2 4.4Å; D60-T200 PolarHBondContact OD1-OG1 3.47Å; D60-I515 WeakPolarHBondContact OD2-CG2 3.43Å; D60-L516 HydrophobicContact CB-CB 3.75Å; D60-L516 HydrophobicContact CB-CD1 3.74Å; D60-L516 HydrophobicContact CB-CD2 4.46Å; D60-L516 HydrophobicContact CB-CG 4.17Å
61	F	96	Very high	93.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.107	C	C	.	.			trans	-90.8	70.7	-172.3	-161.5	-83.1	0	0	0	109.8	I59 S66 T99 F137 K138 F167 A170 L171 F174 T200 M213	I59-F61 HydrophobicContact CG2-CB 4.37Å; I59-F61 HydrophobicContact CG2-CD2 4.33Å; I59-F61 PolarHBondContact O-N 2.7Å; F61-S66 WeakPolarHBondContact CA-OG 3.4Å; F61-T99 HydrophobicContact CE1-CG2 4.39Å; F61-F137 AromaticContact CE1-CE2 3.99Å; F61-F137 HydrophobicContact CE1-CE2 3.99Å; F61-F137 HydrophobicContact CE1-CZ 4.5Å; F61-F137 AromaticContact CZ-CE2 3.87Å; F61-F137 HydrophobicContact CZ-CE2 3.87Å; F61-F137 HydrophobicContact CZ-CZ 4.15Å; F61-K138 HydrophobicContact CD1-CD 4.37Å; F61-K138 WeakPolarHBondContact O-CD 3.49Å; F61-K138 WeakPolarHBondContact O-CE 3.47Å; F61-K138 PolarHBondContact O-NZ 3.42Å; F61-F167 HydrophobicContact CD1-CD1 4.46Å; F61-F167 HydrophobicContact CD1-CE1 4.4Å; F61-F167 AromaticContact CE1-CD1 3.58Å; F61-F167 HydrophobicContact CE1-CD1 3.58Å; F61-F167 AromaticContact CE1-CE1 3.63Å; F61-F167 HydrophobicContact CE1-CE1 3.63Å; F61-F167 AromaticContact CZ-CD1 3.78Å; F61-F167 HydrophobicContact CZ-CD1 3.78Å; F61-F167 HydrophobicContact CZ-CE1 4.26Å; F61-A170 HydrophobicContact CE2-CB 3.61Å; F61-A170 HydrophobicContact CZ-CB 3.76Å; F61-L171 HydrophobicContact CD2-CD2 3.9Å; F61-L171 HydrophobicContact CE2-CD2 4.12Å; F61-L171 HydrophobicContact CE2-CG 4.34Å; F61-F174 HydrophobicContact CD2-CE2 4.44Å; F61-T200 PolarHBondContact N-OG1 3.04Å; F61-M213 HydrophobicContact CB-CE 4.32Å; F61-M213 HydrophobicContact CD1-CE 3.95Å; F61-M213 HydrophobicContact CD2-CE 4.29Å; F61-M213 HydrophobicContact CE1-CE 4.37Å; F61-M213 HydrophobicContact CG-CE 3.92Å
62	G	94.6	Very high	95.1	Very high	11 Å²	11	14.9 Å²	14.9	11%	0.113	9%	0.094	C	C	.	.			trans	-73.6	164.5	-175	0	0	0	0	0	114.9	D60 S65 S66 T99	D60-G62 PolarHBondContact O-N 2.74Å; G62-S65 VanDerWaalsContact CA-O 3.25Å; G62-S65 WeakPolarHBondContact CA-O 3.44Å; G62-S65 PolarHBondContact N-O 3.15Å; G62-S66 PolarHBondContact N-OG 3.49Å; G62-S66 PolarHBondContact O-OG 3.4Å; G62-T99 WeakPolarHBondContact O-CB 3.21Å; G62-T99 VanDerWaalsContact O-CG2 3.32Å; G62-T99 WeakPolarHBondContact O-CG2 3.32Å; G62-T99 PolarHBondContact O-OG1 2.72Å
63	T	94.8	Very high	95.7	Very high	8 Å²	8	12.4 Å²	12.4	5%	0.049	7%	0.074	C	C	.	.	S	Bend	trans	-69	-40.6	177.5	-65	0	0	0	0	113.2	K136 M139	T63-K136 HydrophobicContact CG2-CB 4.43Å; T63-M139 HydrophobicContact CG2-CG 3.62Å; T63-M139 HydrophobicContact CG2-SD 3.91Å
64	T	93.3	Very high	95.6	Very high	38 Å²	38	20.8 Å²	20.8	23%	0.233	11%	0.11	C	C	.	.	S	Bend	trans	-103.7	-38.5	-175.3	45.8	0	0	0	0	112.3	P98 T99 I350	T64-P98 CarbonylContact O-C 3.59Å; T64-P98 WeakPolarHBondContact O-CA 3.2Å; T64-T99 PolarHBondContact O-N 2.7Å; T64-I350 HydrophobicContact CG2-CG2 3.93Å
65	S	93.8	Very high	95.4	Very high	28 Å²	28	22.7 Å²	22.7	20%	0.196	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142	176.3	-52.8	0	0	0	0	110.9	G62 T97 T99	G62-S65 VanDerWaalsContact CA-O 3.25Å; G62-S65 WeakPolarHBondContact CA-O 3.44Å; G62-S65 PolarHBondContact N-O 3.15Å; S65-T97 CarbonylContact C-O 3.58Å; S65-T97 WeakPolarHBondContact CA-O 3.25Å; S65-T97 WeakPolarHBondContact CB-O 3.4Å; S65-T99 WeakPolarHBondContact CA-OG1 3.49Å; S65-T99 PolarHBondContact N-OG1 3.28Å
66	S	96.1	Very high	94.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	160.6	176.7	-65.2	0	0	0	0	111.2	D60 F61 G62 K96 T97 T99 F174	D60-S66 CarbonylContact O-C 3.59Å; D60-S66 WeakPolarHBondContact O-CA 3.4Å; D60-S66 VanDerWaalsContact O-CB 3.32Å; D60-S66 WeakPolarHBondContact O-CB 3.36Å; F61-S66 WeakPolarHBondContact CA-OG 3.4Å; G62-S66 PolarHBondContact N-OG 3.49Å; G62-S66 PolarHBondContact O-OG 3.4Å; S66-K96 WeakPolarHBondContact O-CA 3.47Å; S66-K96 WeakPolarHBondContact O-CB 3.31Å; S66-T97 PolarHBondContact N-O 3.02Å; S66-T97 PolarHBondContact O-N 2.8Å; S66-T97 VanDerWaalsContact O-O 3.1Å; S66-T99 PolarHBondContact N-OG1 2.85Å; S66-T99 PolarHBondContact OG-OG1 2.9Å; S66-F174 VanDerWaalsContact CB-CZ 3.49Å
67	G	95.6	Very high	94.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	173	174.1	0	0	0	0	0	112.1	D60	D60-G67 PolarHBondContact N-O 3.42Å; D60-G67 PolarHBondContact O-N 3.32Å
68	Y	96.6	Very high	93.8	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	155.4	175.9	77.3	-84.7	0	0	0	112.3	V57 A58 Y70 M82 W85 F174 Q177 A178	V57-Y68 HydrophobicContact CG1-CD2 4.24Å; A58-Y68 CarbonylContact O-C 3.52Å; A58-Y68 WeakPolarHBondContact O-CA 3.32Å; A58-Y68 WeakPolarHBondContact O-CB 3.48Å; Y68-Y70 HydrophobicContact CE2-CD1 4.38Å; Y68-M82 HydrophobicContact CD1-CB 4.04Å; Y68-M82 HydrophobicContact CD1-CG 4.5Å; Y68-M82 HydrophobicContact CE1-CB 3.56Å; Y68-M82 HydrophobicContact CE1-CG 3.66Å; Y68-M82 HydrophobicContact CE2-CB 4.19Å; Y68-M82 PolarHBondContact O-N 2.99Å; Y68-W85 AromaticContact CD1-CH2 3.93Å; Y68-W85 HydrophobicContact CD1-CH2 3.93Å; Y68-W85 HydrophobicContact CD1-CZ3 4.46Å; Y68-W85 HydrophobicContact CE1-CH2 4.13Å; Y68-W85 HydrophobicContact CE1-CZ3 4.38Å; Y68-F174 AromaticContact CD1-CD1 3.93Å; Y68-F174 HydrophobicContact CD1-CD1 3.93Å; Y68-F174 HydrophobicContact CD1-CE1 4.47Å; Y68-Q177 HydrophobicContact CE1-CB 3.88Å; Y68-Q177 PolarHBondContact OH-O 3.36Å; Y68-A178 HydrophobicContact CD2-CB 3.71Å; Y68-A178 HydrophobicContact CE2-CB 3.59Å; Y68-A178 HydrophobicContact CG-CB 4.38Å
69	A	96.3	Very high	93.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	158.1	176.6	0	0	0	0	0	108.7	V57 A58 I79 H80 T81 L516 V520	V57-A69 WeakPolarHBondContact CA-O 3.39Å; A58-A69 PolarHBondContact N-O 3.13Å; A58-A69 PolarHBondContact O-N 3.07Å; A69-I79 HydrophobicContact CB-CG2 4.23Å; A69-H80 CarbonylContact C-O 3.26Å; A69-H80 WeakPolarHBondContact CA-O 3.38Å; A69-H80 VanDerWaalsContact CB-O 3.27Å; A69-H80 WeakPolarHBondContact CB-O 3.43Å; A69-T81 HydrophobicContact CB-CG2 4.04Å; A69-L516 HydrophobicContact CB-CD1 3.85Å; A69-L516 HydrophobicContact CB-CD2 3.97Å; A69-L516 HydrophobicContact CB-CG 3.64Å; A69-V520 HydrophobicContact CB-CG2 3.83Å
70	Y	96.4	Very high	93.1	Very high	6 Å²	6	29 Å²	29	2%	0.024	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	162.6	179.9	67.9	-85.5	0	0	0	112.1	V55 V56 Y68 F72 H80 E181 L182 Q185	V55-Y70 HydrophobicContact CG1-CD2 4.15Å; V55-Y70 HydrophobicContact CG1-CG 4.46Å; V56-Y70 CarbonylContact O-C 3.59Å; V56-Y70 WeakPolarHBondContact O-CA 3.25Å; V56-Y70 WeakPolarHBondContact O-CB 3.38Å; Y68-Y70 HydrophobicContact CE2-CD1 4.38Å; Y70-F72 HydrophobicContact CE2-CD2 4.49Å; Y70-F72 AromaticContact CE2-CE2 3.95Å; Y70-F72 HydrophobicContact CE2-CE2 3.95Å; Y70-H80 HydrophobicContact CD1-CB 4.05Å; Y70-H80 HydrophobicContact CD2-CB 4.27Å; Y70-H80 HydrophobicContact CE1-CB 3.48Å; Y70-H80 VanDerWaalsContact CE1-CB 3.48Å; Y70-H80 HydrophobicContact CE2-CB 3.74Å; Y70-H80 AromaticContact CE2-CD2 3.58Å; Y70-H80 AromaticContact CE2-CG 3.73Å; Y70-H80 HydrophobicContact CG-CB 4.38Å; Y70-H80 AromaticContact CZ-CD2 3.98Å; Y70-H80 AromaticContact CZ-CG 3.61Å; Y70-H80 PolarHBondContact N-O 3.17Å; Y70-H80 PolarHBondContact O-N 2.85Å; Y70-H80 WeakPolarHBondContact OH-CB 3.2Å; Y70-E181 HydrophobicContact CE1-CG 4.45Å; Y70-L182 HydrophobicContact CD2-CD2 3.68Å; Y70-L182 HydrophobicContact CE2-CD2 3.69Å; Y70-L182 HydrophobicContact CG-CD2 4.25Å; Y70-Q185 PolarHBondContact OH-NE2 3.17Å; Y70-Q185 PolarHBondContact OH-OE1 3.43Å
71	A	95.9	Very high	92.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	146.6	169.5	0	0	0	0	0	109.6	V55 V56 C78 V520 L524	V55-A71 WeakPolarHBondContact CA-O 3.2Å; V56-A71 PolarHBondContact N-O 3.24Å; V56-A71 PolarHBondContact O-N 3.1Å; A71-C78 WeakPolarHBondContact CB-O 3.48Å; A71-V520 HydrophobicContact CB-CG1 3.56Å; A71-L524 HydrophobicContact CB-CD1 4.12Å
72	F	94.3	Very high	92.1	Very high	37 Å²	37	29.8 Å²	29.8	16%	0.162	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	139.3	169.3	-70.6	-86.1	0	0	0	109.2	V55 Y70 K74 E75 L182 F190	V55-F72 HydrophobicContact CG2-CD1 3.41Å; V55-F72 VanDerWaalsContact CG2-CD1 3.41Å; V55-F72 HydrophobicContact CG2-CE1 3.45Å; V55-F72 VanDerWaalsContact CG2-CE1 3.45Å; V55-F72 HydrophobicContact CG2-CG 4.2Å; V55-F72 HydrophobicContact CG2-CZ 4.29Å; Y70-F72 HydrophobicContact CE2-CD2 4.49Å; Y70-F72 AromaticContact CE2-CE2 3.95Å; Y70-F72 HydrophobicContact CE2-CE2 3.95Å; F72-K74 PolarHBondContact O-N 3.28Å; F72-K74 VanDerWaalsContact O-N 3.1Å; F72-E75 CarbonylContact O-C 3.57Å; F72-E75 VanDerWaalsContact O-C 3.24Å; F72-E75 PolarHBondContact O-N 2.87Å; F72-L182 HydrophobicContact CE1-CD2 4.48Å; F72-L182 HydrophobicContact CZ-CD2 4Å; F72-F190 HydrophobicContact CE1-CE2 4.45Å
73	T	92.3	Very high	91.1	Very high	57 Å²	57	30.3 Å²	30.3	35%	0.35	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-13.2	-178.5	53.5	0	0	0	0	113.7	F53 V54 V56 L524	F53-T73 WeakPolarHBondContact O-CG2 3.1Å; F53-T73 PolarHBondContact O-OG1 2.93Å; V54-T73 PolarHBondContact O-N 2.69Å; V54-T73 PolarHBondContact O-OG1 3.16Å; V56-T73 HydrophobicContact CG2-CG2 4.22Å; T73-L524 HydrophobicContact CG2-CD2 4Å
74	K	90.5	Very high	90.2	Very high	186 Å²	186	38.3 Å²	38.3	81%	0.809	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-16	172.1	-64.2	-177.5	180	177.1	0	114.2	F72	F72-K74 PolarHBondContact O-N 3.28Å; F72-K74 VanDerWaalsContact O-N 3.1Å
75	E	89.2	Confident	89.7	Confident	95 Å²	95	38.2 Å²	38.2	44%	0.444	18%	0.178	S	C	.	.			trans	-134.3	60.7	-177.7	-66	173	-112	0	0	108.8	F72 E77 C78	F72-E75 CarbonylContact O-C 3.57Å; F72-E75 VanDerWaalsContact O-C 3.24Å; F72-E75 PolarHBondContact O-N 2.87Å; E75-E77 PolarHBondContact O-N 3.25Å; E75-C78 HydrophobicContact CB-CB 4.09Å; E75-C78 WeakPolarHBondContact O-CB 3.46Å; E75-C78 PolarHBondContact O-N 2.56Å
76	P	85.9	Confident	89.1	Confident	44 Å²	44	43 Å²	43	29%	0.286	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.7	-171.1	27.6	-36.1	0	0	0	113.5	C78 L524	P76-C78 VanDerWaalsContact C-N 3.3Å; P76-L524 HydrophobicContact CB-CD1 3.84Å; P76-L524 HydrophobicContact CB-CD2 4.34Å
77	E	83.3	Confident	88.2	Confident	52 Å²	52	45.2 Å²	45.2	24%	0.243	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.8	170.4	59.2	-76.9	168.1	0	0	114.1	E75 I79 F293 L294 V295 N297	E75-E77 PolarHBondContact O-N 3.25Å; E77-I79 PolarHBondContact O-N 3.32Å; E77-F293 VanDerWaalsContact O-O 3.05Å; E77-L294 CarbonylContact O-C 3.6Å; E77-L294 WeakPolarHBondContact O-CA 3.47Å; E77-V295 WeakPolarHBondContact CA-O 3.15Å; E77-V295 WeakPolarHBondContact CB-O 3.4Å; E77-V295 PolarHBondContact O-N 2.87Å; E77-N297 PolarHBondContact OE2-ND2 2.88Å
78	C	89.7	Confident	87.1	Confident	15 Å²	15	46.1 Å²	46.1	10%	0.101	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	85.7	-173.8	-73.7	0	0	0	0	111.7	A71 E75 P76 H80 T292	A71-C78 WeakPolarHBondContact CB-O 3.48Å; E75-C78 HydrophobicContact CB-CB 4.09Å; E75-C78 WeakPolarHBondContact O-CB 3.46Å; E75-C78 PolarHBondContact O-N 2.56Å; P76-C78 VanDerWaalsContact C-N 3.3Å; C78-H80 PolarHBondContact O-CD2 2.78Å; C78-H80 PolarHBondContact O-N 3.44Å; C78-T292 HydrophobicContact CB-CG2 3.99Å
79	I	91.9	Very high	85.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	109.7	174	-56.2	-175.7	0	0	0	110.2	A69 E77 T81 F293 V295 K517 V520 L521	A69-I79 HydrophobicContact CB-CG2 4.23Å; E77-I79 PolarHBondContact O-N 3.32Å; I79-T81 HydrophobicContact CG2-CG2 4.41Å; I79-F293 PolarHBondContact N-O 3.31Å; I79-F293 PolarHBondContact O-N 2.83Å; I79-V295 HydrophobicContact CD1-CG2 3.53Å; I79-V295 HydrophobicContact CG1-CG2 3.93Å; I79-K517 HydrophobicContact CD1-CB 4.23Å; I79-K517 HydrophobicContact CG2-CG 4.34Å; I79-V520 HydrophobicContact CD1-CB 4.32Å; I79-V520 HydrophobicContact CD1-CG1 4.42Å; I79-V520 HydrophobicContact CG1-CG1 4.25Å; I79-V520 HydrophobicContact CG2-CB 4.43Å; I79-V520 HydrophobicContact CG2-CG2 4.25Å; I79-L521 HydrophobicContact CD1-CD1 4.47Å; I79-L521 HydrophobicContact CD1-CD2 3.99Å; I79-L521 HydrophobicContact CD1-CG 3.9Å
80	H	91.7	Very high	84.4	Confident	24 Å²	24	57 Å²	57	11%	0.111	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128	175.3	-56.9	-94	0	0	0	110.1	A69 Y70 C78 T292	A69-H80 CarbonylContact C-O 3.26Å; A69-H80 WeakPolarHBondContact CA-O 3.38Å; A69-H80 VanDerWaalsContact CB-O 3.27Å; A69-H80 WeakPolarHBondContact CB-O 3.43Å; Y70-H80 HydrophobicContact CD1-CB 4.05Å; Y70-H80 HydrophobicContact CD2-CB 4.27Å; Y70-H80 HydrophobicContact CE1-CB 3.48Å; Y70-H80 VanDerWaalsContact CE1-CB 3.48Å; Y70-H80 HydrophobicContact CE2-CB 3.74Å; Y70-H80 AromaticContact CE2-CD2 3.58Å; Y70-H80 AromaticContact CE2-CG 3.73Å; Y70-H80 HydrophobicContact CG-CB 4.38Å; Y70-H80 AromaticContact CZ-CD2 3.98Å; Y70-H80 AromaticContact CZ-CG 3.61Å; Y70-H80 PolarHBondContact N-O 3.17Å; Y70-H80 PolarHBondContact O-N 2.85Å; Y70-H80 WeakPolarHBondContact OH-CB 3.2Å; C78-H80 PolarHBondContact O-CD2 2.78Å; C78-H80 PolarHBondContact O-N 3.44Å; H80-T292 PolarHBondContact CE1-OG1 3.29Å; H80-T292 VanDerWaalsContact CE1-OG1 3.32Å; H80-T292 PolarHBondContact ND1-OG1 3.18Å; H80-T292 VanDerWaalsContact ND1-OG1 3.11Å
81	T	89.3	Confident	82.8	Confident	6 Å²	6	60.9 Å²	60.9	4%	0.037	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.3	-179.2	53.7	0	0	0	0	111	A69 I79 R83 R291 F293 L513	A69-T81 HydrophobicContact CB-CG2 4.04Å; I79-T81 HydrophobicContact CG2-CG2 4.41Å; T81-R83 PolarHBondContact OG1-NE 2.88Å; T81-R291 PolarHBondContact N-O 2.77Å; T81-R291 PolarHBondContact OG1-O 3.3Å; T81-F293 HydrophobicContact CG2-CD2 3.71Å; T81-F293 HydrophobicContact CG2-CE2 3.73Å; T81-F293 VanDerWaalsContact OG1-CE2 3.31Å; T81-F293 WeakPolarHBondContact OG1-CE2 3.4Å; T81-L513 HydrophobicContact CG2-CD1 4.35Å
82	M	83.1	Confident	81.4	Confident	17 Å²	17	64.6 Å²	64.6	8%	0.084	36%	0.359	C	S	.	.			trans	-74.5	131.1	174.3	-171.7	46.4	137.8	0	0	110.8	Y68 R84 W85	Y68-M82 HydrophobicContact CD1-CB 4.04Å; Y68-M82 HydrophobicContact CD1-CG 4.5Å; Y68-M82 HydrophobicContact CE1-CB 3.56Å; Y68-M82 HydrophobicContact CE1-CG 3.66Å; Y68-M82 HydrophobicContact CE2-CB 4.19Å; Y68-M82 PolarHBondContact O-N 2.99Å; M82-R84 HydrophobicContact CE-CB 4.41Å; M82-R84 WeakPolarHBondContact CE-O 3.44Å; M82-R84 HydrophobicContact SD-CB 4.26Å; M82-W85 HydrophobicContact CB-CH2 4.29Å; M82-W85 HydrophobicContact CB-CZ2 4.13Å; M82-W85 HydrophobicContact CG-CH2 4.13Å; M82-W85 HydrophobicContact CG-CZ2 4.05Å
83	R	72.9	Confident	80	Confident	21 Å²	21	66.5 Å²	66.5	8%	0.079	38%	0.377	C	S	.	.			trans	-134.9	2.1	-177.8	-56.8	-172	-171.8	-178.5	8.2	113.9	T81 N94 R288 S290	T81-R83 PolarHBondContact OG1-NE 2.88Å; R83-N94 WeakPolarHBondContact CA-O 3.46Å; R83-R288 PolarHBondContact NH1-O 3.26Å; R83-S290 PolarHBondContact NH1-O 2.98Å; R83-S290 VanDerWaalsContact NH1-O 3.16Å; R83-S290 PolarHBondContact NH2-O 3.28Å
84	R	76.7	Confident	79.3	Confident	176 Å²	176	65.6 Å²	65.6	66%	0.664	37%	0.37	S	S	*	.			trans	-112.3	127.7	172.8	-64.7	-173.8	-174.3	160.1	1.4	106.7	M82	M82-R84 HydrophobicContact CE-CB 4.41Å; M82-R84 WeakPolarHBondContact CE-O 3.44Å; M82-R84 HydrophobicContact SD-CB 4.26Å
85	W	83.1	Confident	78.9	Confident	36 Å²	36	59.1 Å²	59.1	14%	0.136	34%	0.343	C	S	.	.			trans	-129.5	150.8	176.5	-57.6	99	0	0	0	107.3	Y68 M82 N94 T97 Y114 F173 F174	Y68-W85 AromaticContact CD1-CH2 3.93Å; Y68-W85 HydrophobicContact CD1-CH2 3.93Å; Y68-W85 HydrophobicContact CD1-CZ3 4.46Å; Y68-W85 HydrophobicContact CE1-CH2 4.13Å; Y68-W85 HydrophobicContact CE1-CZ3 4.38Å; M82-W85 HydrophobicContact CB-CH2 4.29Å; M82-W85 HydrophobicContact CB-CZ2 4.13Å; M82-W85 HydrophobicContact CG-CH2 4.13Å; M82-W85 HydrophobicContact CG-CZ2 4.05Å; W85-N94 PolarHBondContact NE1-O 3.38Å; W85-T97 HydrophobicContact CD2-CG2 3.97Å; W85-T97 HydrophobicContact CE3-CG2 3.63Å; W85-T97 HydrophobicContact CH2-CG2 4Å; W85-T97 HydrophobicContact CZ2-CG2 4.3Å; W85-T97 HydrophobicContact CZ3-CG2 3.65Å; W85-Y114 HydrophobicContact CB-CD2 3.95Å; W85-Y114 HydrophobicContact CG-CD2 4.36Å; W85-F173 HydrophobicContact CZ3-CE1 4.29Å; W85-F174 AromaticContact CH2-CE1 3.89Å; W85-F174 HydrophobicContact CH2-CE1 3.89Å; W85-F174 AromaticContact CZ3-CE1 3.92Å; W85-F174 HydrophobicContact CZ3-CE1 3.92Å
86	E	80.4	Confident	78.9	Confident	130 Å²	130	56.3 Å²	56.3	61%	0.607	33%	0.329	S	S	*	.	S	Bend	trans	-76.3	132.5	171.7	-67.5	178.8	178.5	0	0	109.3	Y114 A115	E86-Y114 WeakPolarHBondContact O-CB 3.34Å; E86-A115 HydrophobicContact CB-CB 4.22Å; E86-A115 PolarHBondContact O-N 3.16Å
87	G	76.9	Confident	79.3	Confident	46 Å²	46	54.3 Å²	54.3	47%	0.474	32%	0.316	S	S	.	.	S	Bend	trans	80.2	-171.7	-167.5	0	0	0	0	0	113.6	D118	G87-D118 WeakPolarHBondContact CA-OD2 3.46Å
88	G	71.6	Confident	79.8	Confident	18 Å²	18	52.8 Å²	52.8	19%	0.186	31%	0.311	C	S	.	.	S	Bend	trans	91	171.2	-179	0	0	0	0	0	113.2	P90 D118	G88-P90 WeakPolarHBondContact O-CD 3.4Å; G88-D118 PolarHBondContact N-OD2 2.58Å
89	D	70.8	Confident	80.1	Confident	95 Å²	95	52.1 Å²	52.1	51%	0.508	31%	0.306	S	S	.	.	S	Bend	trans	-66.1	122.5	-174.7	-57.8	-56	0	0	0	111.2	G91 V92	D89-G91 PolarHBondContact O-N 2.94Å; D89-V92 HydrophobicContact CB-CB 4.16Å; D89-V92 HydrophobicContact CB-CG2 3.68Å; D89-V92 WeakPolarHBondContact O-CB 3.41Å; D89-V92 PolarHBondContact O-N 3.05Å
90	P	66.9	Low	80.3	Confident	135 Å²	135	52.5 Å²	52.5	88%	0.877	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	127.2	-177.4	-29.1	36.1	0	0	0	113.1	G88 V92	G88-P90 WeakPolarHBondContact O-CD 3.4Å; P90-V92 VanDerWaalsContact C-N 3.35Å
91	G	61.8	Low	80.6	Confident	88 Å²	88	51.3 Å²	51.3	91%	0.907	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-3.7	-177.9	0	0	0	0	0	115.4	D89	D89-G91 PolarHBondContact O-N 2.94Å
92	V	67.1	Low	81	Confident	79 Å²	79	51 Å²	51	48%	0.479	30%	0.301	S	S	.	.			trans	-90.7	111.9	174.9	-175.4	0	0	0	0	110.7	D89 P90 N94	D89-V92 HydrophobicContact CB-CB 4.16Å; D89-V92 HydrophobicContact CB-CG2 3.68Å; D89-V92 WeakPolarHBondContact O-CB 3.41Å; D89-V92 PolarHBondContact O-N 3.05Å; P90-V92 VanDerWaalsContact C-N 3.35Å; V92-N94 PolarHBondContact O-N 2.95Å; V92-N94 VanDerWaalsContact O-N 3.08Å; V92-N94 PolarHBondContact O-ND2 3.42Å
93	S	65.1	Low	81.8	Confident	76 Å²	76	50.4 Å²	50.4	53%	0.531	30%	0.298	S	S	.	.			trans	-78	87.9	175.8	169.5	0	0	0	0	111.3
94	N	77.5	Confident	82.9	Confident	38 Å²	38	50.5 Å²	50.5	20%	0.203	30%	0.301	C	S	.	.			trans	-79.2	121.6	177.4	-66.2	-61.9	0	0	0	111.9	R83 W85 V92 K96 Y114	R83-N94 WeakPolarHBondContact CA-O 3.46Å; W85-N94 PolarHBondContact NE1-O 3.38Å; V92-N94 PolarHBondContact O-N 2.95Å; V92-N94 VanDerWaalsContact O-N 3.08Å; V92-N94 PolarHBondContact O-ND2 3.42Å; N94-K96 VanDerWaalsContact C-N 3.27Å; N94-K96 PolarHBondContact O-N 2.9Å; N94-Y114 HydrophobicContact CB-CE2 3.76Å; N94-Y114 WeakPolarHBondContact CB-OH 3.47Å; N94-Y114 PolarHBondContact ND2-OH 3.24Å; N94-Y114 PolarHBondContact OD1-OH 3.07Å
95	Q	80.9	Confident	83.8	Confident	51 Å²	51	45.3 Å²	45.3	24%	0.238	29%	0.29	C	S	.	.	S	Bend	trans	-74.3	-15	179.1	-70.2	177.8	-21.8	0	0	113.7	D510 L513	Q95-D510 PolarHBondContact NE2-OD1 2.86Å; Q95-L513 HydrophobicContact CB-CD1 4.04Å; Q95-L513 HydrophobicContact CB-CD2 4.07Å; Q95-L513 HydrophobicContact CB-CG 4.06Å; Q95-L513 HydrophobicContact CG-CD1 3.92Å; Q95-L513 HydrophobicContact CG-CG 4.42Å
96	K	90.7	Very high	84.4	Confident	36 Å²	36	47.7 Å²	47.7	16%	0.157	31%	0.306	C	S	.	.	S	Bend	trans	-143.1	159.7	175.6	-77.8	-178.8	169.7	169.3	0	108.8	D60 S66 N94 G512	D60-K96 VanDerWaalsContact OD2-CE 3.29Å; D60-K96 WeakPolarHBondContact OD2-CE 3.25Å; D60-K96 IonicContact OD2-NZ 3.88Å; D60-K96 PolarHBondContact OD2-NZ 3.39Å; S66-K96 WeakPolarHBondContact O-CA 3.47Å; S66-K96 WeakPolarHBondContact O-CB 3.31Å; N94-K96 VanDerWaalsContact C-N 3.27Å; N94-K96 PolarHBondContact O-N 2.9Å; K96-G512 WeakPolarHBondContact CE-O 3.19Å; K96-G512 PolarHBondContact NZ-O 2.87Å
97	T	93.3	Very high	85.2	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	151.5	171.8	-179.1	0	0	0	0	110.5	S65 S66 W85 F112 G113 Y114 F174	S65-T97 CarbonylContact C-O 3.58Å; S65-T97 WeakPolarHBondContact CA-O 3.25Å; S65-T97 WeakPolarHBondContact CB-O 3.4Å; S66-T97 PolarHBondContact N-O 3.02Å; S66-T97 PolarHBondContact O-N 2.8Å; S66-T97 VanDerWaalsContact O-O 3.1Å; W85-T97 HydrophobicContact CD2-CG2 3.97Å; W85-T97 HydrophobicContact CE3-CG2 3.63Å; W85-T97 HydrophobicContact CH2-CG2 4Å; W85-T97 HydrophobicContact CZ2-CG2 4.3Å; W85-T97 HydrophobicContact CZ3-CG2 3.65Å; T97-F112 HydrophobicContact CG2-CD1 4.15Å; T97-F112 HydrophobicContact CG2-CE1 3.9Å; T97-G113 WeakPolarHBondContact OG1-CA 3.4Å; T97-Y114 PolarHBondContact OG1-N 3.33Å; T97-F174 HydrophobicContact CG2-CE1 4.37Å; T97-F174 HydrophobicContact CG2-CZ 4.25Å
98	P	94.3	Very high	86.1	Confident	20 Å²	20	51.4 Å²	51.4	13%	0.13	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	147.3	172.8	-27.7	35.3	0	0	0	112.6	T64 T100 G113 Y114	T64-P98 CarbonylContact O-C 3.59Å; T64-P98 WeakPolarHBondContact O-CA 3.2Å; P98-T100 HydrophobicContact CB-CG2 3.73Å; P98-T100 PolarHBondContact O-N 2.82Å; P98-G113 WeakPolarHBondContact O-CA 3.48Å; P98-Y114 VanDerWaalsContact CD-CE2 3.45Å; P98-Y114 VanDerWaalsContact CD-CZ 3.43Å; P98-Y114 HydrophobicContact CG-CD1 4.03Å; P98-Y114 HydrophobicContact CG-CE1 3.8Å; P98-Y114 HydrophobicContact CG-CE2 4.5Å; P98-Y114 HydrophobicContact CG-CG 4.46Å
99	T	96.5	Very high	87.4	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.006	31%	0.307	C	S	.	.	S	Bend	trans	-83	67	174.1	-47.2	0	0	0	0	109.3	F61 G62 T64 S65 S66 F112 F137	F61-T99 HydrophobicContact CE1-CG2 4.39Å; G62-T99 WeakPolarHBondContact O-CB 3.21Å; G62-T99 VanDerWaalsContact O-CG2 3.32Å; G62-T99 WeakPolarHBondContact O-CG2 3.32Å; G62-T99 PolarHBondContact O-OG1 2.72Å; T64-T99 PolarHBondContact O-N 2.7Å; S65-T99 WeakPolarHBondContact CA-OG1 3.49Å; S65-T99 PolarHBondContact N-OG1 3.28Å; S66-T99 PolarHBondContact N-OG1 2.85Å; S66-T99 PolarHBondContact OG-OG1 2.9Å; T99-F112 HydrophobicContact CG2-CZ 4.28Å; T99-F137 HydrophobicContact CG2-CE1 4.03Å; T99-F137 HydrophobicContact CG2-CE2 4.47Å; T99-F137 HydrophobicContact CG2-CZ 3.83Å
100	T	96.5	Very high	88.7	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.043	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.5	-173.8	51.9	0	0	0	0	109.3	P98 F112 G113 Y133 L134 E135	P98-T100 HydrophobicContact CB-CG2 3.73Å; P98-T100 PolarHBondContact O-N 2.82Å; T100-F112 CarbonylContact O-C 3.56Å; T100-F112 WeakPolarHBondContact O-CA 3.14Å; T100-F112 WeakPolarHBondContact O-CD2 3.38Å; T100-F112 WeakPolarHBondContact O-CE2 3.47Å; T100-F112 WeakPolarHBondContact O-CG 3.33Å; T100-G113 PolarHBondContact O-N 2.68Å; T100-G113 WeakPolarHBondContact OG1-CA 3.31Å; T100-G113 PolarHBondContact OG1-O 3.27Å; T100-Y133 HydrophobicContact CG2-CE2 4.45Å; T100-Y133 VanDerWaalsContact CG2-OH 3.25Å; T100-Y133 WeakPolarHBondContact CG2-OH 3.34Å; T100-L134 WeakPolarHBondContact CA-O 3.48Å; T100-E135 HydrophobicContact CG2-CB 3.9Å
101	I	97.9	Very high	90.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	139.6	-178.9	-173.3	170.9	0	0	0	109.4	L103 F109 F112 L134 F137 I166 Y169	I101-L103 HydrophobicContact CD1-CD2 4.07Å; I101-L103 HydrophobicContact CG1-CD2 4.12Å; I101-F109 HydrophobicContact CD1-CD2 3.95Å; I101-F109 HydrophobicContact CD1-CE2 4.13Å; I101-F109 HydrophobicContact CG1-CD2 4.09Å; I101-F109 HydrophobicContact CG1-CE2 4.07Å; I101-F112 HydrophobicContact CB-CD2 4.07Å; I101-F112 HydrophobicContact CG1-CD2 4.42Å; I101-L134 HydrophobicContact CG2-CB 3.78Å; I101-L134 HydrophobicContact CG2-CD1 3.93Å; I101-L134 HydrophobicContact CG2-CG 4.45Å; I101-L134 PolarHBondContact N-O 2.8Å; I101-L134 PolarHBondContact O-N 2.99Å; I101-F137 HydrophobicContact CG2-CD1 4.3Å; I101-F137 HydrophobicContact CG2-CE1 3.81Å; I101-I166 HydrophobicContact CD1-CD1 4.3Å; I101-I166 HydrophobicContact CD1-CG2 4.44Å; I101-I166 HydrophobicContact CG2-CD1 4.39Å; I101-I166 HydrophobicContact CG2-CG2 3.94Å; I101-Y169 HydrophobicContact CD1-CD2 4.28Å; I101-Y169 HydrophobicContact CD1-CG 4.49Å
102	L	97.9	Very high	91.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.5	175.2	-176.3	64.9	0	0	0	108.6	H110 S111 A116 F119 Y120 W131	L102-H110 HydrophobicContact CG-CB 4.46Å; L102-H110 WeakPolarHBondContact O-CB 3.47Å; L102-H110 PolarHBondContact O-N 2.85Å; L102-S111 PolarHBondContact N-O 2.72Å; L102-S111 PolarHBondContact O-N 3.07Å; L102-A116 HydrophobicContact CB-CB 3.79Å; L102-F119 HydrophobicContact CD2-CB 4.33Å; L102-F119 HydrophobicContact CD2-CD1 3.48Å; L102-F119 VanDerWaalsContact CD2-CD1 3.48Å; L102-F119 HydrophobicContact CD2-CE1 4.19Å; L102-F119 HydrophobicContact CD2-CG 4.26Å; L102-Y120 HydrophobicContact CD1-CD2 3.76Å; L102-Y120 HydrophobicContact CD1-CG 4.28Å; L102-W131 HydrophobicContact CD1-CB 4.14Å; L102-W131 HydrophobicContact CD1-CE3 3.86Å; L102-W131 HydrophobicContact CD2-CE3 3.79Å; L102-W131 HydrophobicContact CD2-CZ3 3.9Å; L102-W131 HydrophobicContact CG-CE3 3.7Å; L102-W131 HydrophobicContact CG-CZ3 4.06Å
103	L	98.4	Very high	93.2	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	148	165.2	-40.2	179.6	0	0	0	110.8	I101 K108 W131 L132 V161 I166 Y169	I101-L103 HydrophobicContact CD1-CD2 4.07Å; I101-L103 HydrophobicContact CG1-CD2 4.12Å; L103-K108 CarbonylContact C-O 3.58Å; L103-K108 WeakPolarHBondContact CA-O 3.42Å; L103-K108 WeakPolarHBondContact CB-O 3.4Å; L103-W131 VanDerWaalsContact O-CE3 3.3Å; L103-L132 HydrophobicContact CB-CB 3.98Å; L103-L132 HydrophobicContact CB-CD1 4.15Å; L103-L132 HydrophobicContact CD1-CD1 4.14Å; L103-L132 HydrophobicContact CG-CB 4.4Å; L103-L132 PolarHBondContact N-O 3.44Å; L103-L132 PolarHBondContact O-N 2.77Å; L103-V161 HydrophobicContact CD1-CG1 4.47Å; L103-I166 HydrophobicContact CD1-CD1 3.67Å; L103-I166 HydrophobicContact CD2-CD1 4.17Å; L103-I166 HydrophobicContact CG-CD1 4.1Å; L103-Y169 HydrophobicContact CD1-CE2 4.28Å; L103-Y169 HydrophobicContact CD2-CD2 3.69Å; L103-Y169 HydrophobicContact CD2-CE2 3.8Å
104	T	97.2	Very high	94.5	Very high	23 Å²	23	36.2 Å²	36.2	14%	0.141	18%	0.175	C	C	.	.			trans	-59.2	164.2	168.5	58.1	0	0	0	0	111.9	D106 R107 K108 H110 W131	T104-D106 WeakPolarHBondContact CB-OD1 3.34Å; T104-D106 PolarHBondContact O-N 2.86Å; T104-D106 VanDerWaalsContact O-N 3.13Å; T104-D106 PolarHBondContact OG1-OD1 2.85Å; T104-R107 PolarHBondContact O-N 2.8Å; T104-K108 PolarHBondContact N-O 2.87Å; T104-K108 WeakPolarHBondContact OG1-CB 3.18Å; T104-K108 PolarHBondContact OG1-N 2.59Å; T104-K108 VanDerWaalsContact OG1-N 3.08Å; T104-K108 PolarHBondContact OG1-O 2.87Å; T104-H110 HydrophobicContact CG2-CB 4.21Å; T104-W131 HydrophobicContact CG2-CH2 4.06Å; T104-W131 HydrophobicContact CG2-CZ3 3.9Å
105	P	95.5	Very high	95.3	Very high	67 Å²	67	35.5 Å²	35.5	44%	0.435	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.1	174.4	-27.3	36.6	0	0	0	114.8	R107 H130 W131	P105-R107 VanDerWaalsContact C-N 3.33Å; P105-H130 HydrophobicContact CB-CB 4.29Å; P105-H130 HydrophobicContact CG-CB 4.02Å; P105-W131 HydrophobicContact CG-CG 4.38Å
106	D	95.8	Very high	96	Very high	87 Å²	87	33.1 Å²	33.1	47%	0.465	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	17.1	174.4	69.6	-39.2	0	0	0	114.2	T104 K108	T104-D106 WeakPolarHBondContact CB-OD1 3.34Å; T104-D106 PolarHBondContact O-N 2.86Å; T104-D106 VanDerWaalsContact O-N 3.13Å; T104-D106 PolarHBondContact OG1-OD1 2.85Å; D106-K108 VanDerWaalsContact C-N 3.32Å; D106-K108 PolarHBondContact O-N 2.86Å; D106-K108 WeakPolarHBondContact OD2-CD 3.47Å; D106-K108 WeakPolarHBondContact OD2-CE 3.48Å; D106-K108 IonicContact OD2-NZ 3.51Å; D106-K108 PolarHBondContact OD2-NZ 2.81Å
107	R	96.1	Very high	96.1	Very high	128 Å²	128	33 Å²	33	48%	0.483	16%	0.162	S	C	.	.	S	Bend	trans	67.5	20.3	172.2	-52.6	165.9	172.9	-95	-2.2	115.4	T104 P105 L132 R160 Y169	T104-R107 PolarHBondContact O-N 2.8Å; P105-R107 VanDerWaalsContact C-N 3.33Å; R107-L132 HydrophobicContact CB-CD1 4.37Å; R107-L132 HydrophobicContact CG-CD1 3.81Å; R107-R160 PolarHBondContact NH1-O 2.86Å; R107-R160 PolarHBondContact NH2-O 3.48Å; R107-R160 VanDerWaalsContact NH2-O 3.16Å; R107-Y169 PolarHBondContact O-OH 3.28Å
108	K	97.1	Very high	96	Very high	125 Å²	125	34.7 Å²	34.7	54%	0.543	17%	0.171	S	C	.	.			trans	-86.6	147.5	172.1	-64.4	176.4	-178.8	138.8	0	110.5	L103 T104 D106 H110	L103-K108 CarbonylContact C-O 3.58Å; L103-K108 WeakPolarHBondContact CA-O 3.42Å; L103-K108 WeakPolarHBondContact CB-O 3.4Å; T104-K108 PolarHBondContact N-O 2.87Å; T104-K108 WeakPolarHBondContact OG1-CB 3.18Å; T104-K108 PolarHBondContact OG1-N 2.59Å; T104-K108 VanDerWaalsContact OG1-N 3.08Å; T104-K108 PolarHBondContact OG1-O 2.87Å; D106-K108 VanDerWaalsContact C-N 3.32Å; D106-K108 PolarHBondContact O-N 2.86Å; D106-K108 WeakPolarHBondContact OD2-CD 3.47Å; D106-K108 WeakPolarHBondContact OD2-CE 3.48Å; D106-K108 IonicContact OD2-NZ 3.51Å; D106-K108 PolarHBondContact OD2-NZ 2.81Å; K108-H110 PolarHBondContact O-N 3.09Å
109	F	98.1	Very high	96	Very high	64 Å²	64	37.5 Å²	37.5	28%	0.281	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	131.4	169.2	179.6	-107.9	0	0	0	110.6	I101 S111 F112 Y169 F173	I101-F109 HydrophobicContact CD1-CD2 3.95Å; I101-F109 HydrophobicContact CD1-CE2 4.13Å; I101-F109 HydrophobicContact CG1-CD2 4.09Å; I101-F109 HydrophobicContact CG1-CE2 4.07Å; F109-S111 VanDerWaalsContact CE2-C 3.48Å; F109-S111 WeakPolarHBondContact CE2-O 3.32Å; F109-F112 HydrophobicContact CE2-CB 4.04Å; F109-F112 HydrophobicContact CZ-CB 4.01Å; F109-Y169 HydrophobicContact CB-CD1 3.9Å; F109-Y169 HydrophobicContact CB-CD2 4.29Å; F109-Y169 HydrophobicContact CB-CE1 4.17Å; F109-Y169 HydrophobicContact CB-CG 3.97Å; F109-Y169 HydrophobicContact CD2-CG 4.29Å; F109-Y169 HydrophobicContact CG-CG 4.45Å; F109-F173 HydrophobicContact CZ-CB 4.05Å; F109-F173 HydrophobicContact CZ-CD2 4.01Å; F109-F173 HydrophobicContact CZ-CG 4.33Å
110	H	97.8	Very high	95.8	Very high	70 Å²	70	37.5 Å²	37.5	32%	0.324	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-56.8	172.2	179.7	-90	0	0	0	110.7	L102 T104 K108 F119 W131	L102-H110 HydrophobicContact CG-CB 4.46Å; L102-H110 WeakPolarHBondContact O-CB 3.47Å; L102-H110 PolarHBondContact O-N 2.85Å; T104-H110 HydrophobicContact CG2-CB 4.21Å; K108-H110 PolarHBondContact O-N 3.09Å; H110-F119 AromaticContact CE1-CD1 3.76Å; H110-F119 AromaticContact CE1-CD2 3.62Å; H110-F119 AromaticContact CE1-CE1 3.8Å; H110-F119 AromaticContact CE1-CE2 3.67Å; H110-F119 AromaticContact CE1-CG 3.66Å; H110-F119 AromaticContact CE1-CZ 3.75Å; H110-F119 AromaticContact NE2-CE1 3.96Å; H110-F119 AromaticContact NE2-CE2 3.78Å; H110-F119 AromaticContact NE2-CZ 3.64Å; H110-W131 HydrophobicContact CB-CZ3 3.86Å; H110-W131 AromaticContact CD2-CH2 3.53Å; H110-W131 AromaticContact CD2-CZ3 3.57Å; H110-W131 AromaticContact CG-CZ3 3.6Å; H110-W131 AromaticContact NE2-CH2 3.8Å
111	S	97.8	Very high	95.4	Very high	14 Å²	14	42 Å²	42	10%	0.098	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	163.1	-178.9	48.7	0	0	0	0	111.7	L102 F109 A115 A116	L102-S111 PolarHBondContact N-O 2.72Å; L102-S111 PolarHBondContact O-N 3.07Å; F109-S111 VanDerWaalsContact CE2-C 3.48Å; F109-S111 WeakPolarHBondContact CE2-O 3.32Å; S111-A115 PolarHBondContact OG-O 3.24Å; S111-A116 WeakPolarHBondContact O-CB 3.32Å; S111-A116 VanDerWaalsContact OG-CA 3.24Å; S111-A116 WeakPolarHBondContact OG-CA 3.3Å; S111-A116 PolarHBondContact OG-N 3.13Å
112	F	97.5	Very high	95	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	158.1	173.9	-169.9	-95.3	0	0	0	109.9	T97 T99 T100 I101 F109 A116 F137 A170 F173 F174	T97-F112 HydrophobicContact CG2-CD1 4.15Å; T97-F112 HydrophobicContact CG2-CE1 3.9Å; T99-F112 HydrophobicContact CG2-CZ 4.28Å; T100-F112 CarbonylContact O-C 3.56Å; T100-F112 WeakPolarHBondContact O-CA 3.14Å; T100-F112 WeakPolarHBondContact O-CD2 3.38Å; T100-F112 WeakPolarHBondContact O-CE2 3.47Å; T100-F112 WeakPolarHBondContact O-CG 3.33Å; I101-F112 HydrophobicContact CB-CD2 4.07Å; I101-F112 HydrophobicContact CG1-CD2 4.42Å; F109-F112 HydrophobicContact CE2-CB 4.04Å; F109-F112 HydrophobicContact CZ-CB 4.01Å; F112-A116 PolarHBondContact O-N 3.04Å; F112-F137 HydrophobicContact CE2-CZ 4.47Å; F112-A170 HydrophobicContact CD2-CB 3.95Å; F112-A170 HydrophobicContact CE2-CB 3.49Å; F112-A170 VanDerWaalsContact CE2-CB 3.49Å; F112-A170 HydrophobicContact CZ-CB 4.26Å; F112-F173 HydrophobicContact CB-CB 4.29Å; F112-F173 HydrophobicContact CB-CD1 3.73Å; F112-F173 HydrophobicContact CB-CD2 3.93Å; F112-F173 HydrophobicContact CB-CE1 3.99Å; F112-F173 HydrophobicContact CB-CE2 4.16Å; F112-F173 HydrophobicContact CB-CG 3.7Å; F112-F173 HydrophobicContact CB-CZ 4.19Å; F112-F173 AromaticContact CD1-CD1 3.6Å; F112-F173 HydrophobicContact CD1-CD1 3.6Å; F112-F173 AromaticContact CD1-CE1 3.61Å; F112-F173 HydrophobicContact CD1-CE1 3.61Å; F112-F173 HydrophobicContact CD1-CG 4.42Å; F112-F173 HydrophobicContact CD1-CZ 4.43Å; F112-F173 HydrophobicContact CE1-CD1 4.46Å; F112-F173 AromaticContact CG-CD1 3.81Å; F112-F173 HydrophobicContact CG-CD1 3.81Å; F112-F173 HydrophobicContact CG-CE1 4.14Å; F112-F173 HydrophobicContact CG-CG 4.19Å; F112-F174 HydrophobicContact CD1-CZ 4.27Å; F112-F174 AromaticContact CE1-CE2 3.8Å; F112-F174 HydrophobicContact CE1-CE2 3.8Å; F112-F174 AromaticContact CE1-CZ 3.57Å; F112-F174 HydrophobicContact CE1-CZ 3.57Å; F112-F174 AromaticContact CZ-CE2 3.97Å; F112-F174 HydrophobicContact CZ-CE2 3.97Å; F112-F174 HydrophobicContact CZ-CZ 4.17Å
113	G	95.5	Very high	94.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	71.7	-143	167	0	0	0	0	0	115.1	T97 P98 T100 A115 A116 R117	T97-G113 WeakPolarHBondContact OG1-CA 3.4Å; P98-G113 WeakPolarHBondContact O-CA 3.48Å; T100-G113 PolarHBondContact O-N 2.68Å; T100-G113 WeakPolarHBondContact OG1-CA 3.31Å; T100-G113 PolarHBondContact OG1-O 3.27Å; G113-A115 PolarHBondContact O-N 2.91Å; G113-A116 WeakPolarHBondContact O-CB 3.17Å; G113-A116 PolarHBondContact O-N 3.2Å; G113-A116 VanDerWaalsContact O-N 3.08Å; G113-R117 PolarHBondContact O-N 3.4Å; G113-R117 VanDerWaalsContact O-N 3.11Å
114	Y	92.6	Very high	94.1	Very high	20 Å²	20	53.9 Å²	53.9	8%	0.078	27%	0.265	C	S	.	.	H	α-helix	trans	-56.3	-47.6	177.4	-68.4	-72.4	0	0	0	111.9	W85 E86 N94 T97 P98 A116 R117 D118	W85-Y114 HydrophobicContact CB-CD2 3.95Å; W85-Y114 HydrophobicContact CG-CD2 4.36Å; E86-Y114 WeakPolarHBondContact O-CB 3.34Å; N94-Y114 HydrophobicContact CB-CE2 3.76Å; N94-Y114 WeakPolarHBondContact CB-OH 3.47Å; N94-Y114 PolarHBondContact ND2-OH 3.24Å; N94-Y114 PolarHBondContact OD1-OH 3.07Å; T97-Y114 PolarHBondContact OG1-N 3.33Å; P98-Y114 VanDerWaalsContact CD-CE2 3.45Å; P98-Y114 VanDerWaalsContact CD-CZ 3.43Å; P98-Y114 HydrophobicContact CG-CD1 4.03Å; P98-Y114 HydrophobicContact CG-CE1 3.8Å; P98-Y114 HydrophobicContact CG-CE2 4.5Å; P98-Y114 HydrophobicContact CG-CG 4.46Å; Y114-A116 PolarHBondContact O-N 2.99Å; Y114-A116 VanDerWaalsContact O-N 3.16Å; Y114-R117 WeakPolarHBondContact O-CA 3.28Å; Y114-R117 WeakPolarHBondContact O-CB 3.32Å; Y114-R117 PolarHBondContact O-N 3.38Å; Y114-D118 WeakPolarHBondContact O-CB 3.45Å; Y114-D118 PolarHBondContact O-N 2.92Å
115	A	94.4	Very high	93.3	Very high	24 Å²	24	55.8 Å²	55.8	20%	0.198	28%	0.278	C	S	.	.	H	α-helix	trans	-56.4	-30.5	174.1	0	0	0	0	0	114.4	E86 S111 G113 F119	E86-A115 HydrophobicContact CB-CB 4.22Å; E86-A115 PolarHBondContact O-N 3.16Å; S111-A115 PolarHBondContact OG-O 3.24Å; G113-A115 PolarHBondContact O-N 2.91Å; A115-F119 WeakPolarHBondContact O-CB 3.27Å; A115-F119 PolarHBondContact O-N 2.94Å
116	A	95.8	Very high	92.9	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-72.8	-38.3	173.1	0	0	0	0	0	113	L102 S111 F112 G113 Y114 Y120	L102-A116 HydrophobicContact CB-CB 3.79Å; S111-A116 WeakPolarHBondContact O-CB 3.32Å; S111-A116 VanDerWaalsContact OG-CA 3.24Å; S111-A116 WeakPolarHBondContact OG-CA 3.3Å; S111-A116 PolarHBondContact OG-N 3.13Å; F112-A116 PolarHBondContact O-N 3.04Å; G113-A116 WeakPolarHBondContact O-CB 3.17Å; G113-A116 PolarHBondContact O-N 3.2Å; G113-A116 VanDerWaalsContact O-N 3.08Å; Y114-A116 PolarHBondContact O-N 2.99Å; Y114-A116 VanDerWaalsContact O-N 3.16Å; A116-Y120 WeakPolarHBondContact O-CB 3.35Å; A116-Y120 PolarHBondContact O-N 2.91Å
117	R	92.2	Very high	92.5	Very high	33 Å²	33	56.9 Å²	56.9	13%	0.125	28%	0.282	C	S	.	.	H	α-helix	trans	-71.8	-48.8	180	-175.6	-164.5	74.4	158.5	3.2	111.4	G113 Y114 Y120 H121 Y133 I385	G113-R117 PolarHBondContact O-N 3.4Å; G113-R117 VanDerWaalsContact O-N 3.11Å; Y114-R117 WeakPolarHBondContact O-CA 3.28Å; Y114-R117 WeakPolarHBondContact O-CB 3.32Å; Y114-R117 PolarHBondContact O-N 3.38Å; R117-Y120 PolarHBondContact O-N 2.81Å; R117-H121 PolarHBondContact O-N 2.97Å; R117-Y133 HydrophobicContact CB-CE2 4.48Å; R117-I385 HydrophobicContact CG-CD1 3.74Å
118	D	91.6	Very high	92.1	Very high	38 Å²	38	51 Å²	51	20%	0.203	26%	0.26	C	S	.	.	H	α-helix	trans	-71.7	-44.4	-172.9	-55.3	-16.6	0	0	0	110.3	G87 G88 Y114 Y120 H121 D122	G87-D118 WeakPolarHBondContact CA-OD2 3.46Å; G88-D118 PolarHBondContact N-OD2 2.58Å; Y114-D118 WeakPolarHBondContact O-CB 3.45Å; Y114-D118 PolarHBondContact O-N 2.92Å; D118-Y120 VanDerWaalsContact C-N 3.29Å; D118-Y120 PolarHBondContact O-N 3.47Å; D118-H121 WeakPolarHBondContact O-CB 3.25Å; D118-H121 PolarHBondContact O-N 2.89Å; D118-H121 VanDerWaalsContact O-N 3.14Å; D118-D122 PolarHBondContact O-N 2.93Å
119	F	94	Very high	91.6	Very high	79 Å²	79	48.6 Å²	48.6	35%	0.346	25%	0.25	S	S	.	.	H	α-helix	trans	-60.2	-39.1	172.2	-173.1	-81.3	0	0	0	112.1	L102 H110 A115 H121 D122 L123 W131	L102-F119 HydrophobicContact CD2-CB 4.33Å; L102-F119 HydrophobicContact CD2-CD1 3.48Å; L102-F119 VanDerWaalsContact CD2-CD1 3.48Å; L102-F119 HydrophobicContact CD2-CE1 4.19Å; L102-F119 HydrophobicContact CD2-CG 4.26Å; H110-F119 AromaticContact CE1-CD1 3.76Å; H110-F119 AromaticContact CE1-CD2 3.62Å; H110-F119 AromaticContact CE1-CE1 3.8Å; H110-F119 AromaticContact CE1-CE2 3.67Å; H110-F119 AromaticContact CE1-CG 3.66Å; H110-F119 AromaticContact CE1-CZ 3.75Å; H110-F119 AromaticContact NE2-CE1 3.96Å; H110-F119 AromaticContact NE2-CE2 3.78Å; H110-F119 AromaticContact NE2-CZ 3.64Å; A115-F119 WeakPolarHBondContact O-CB 3.27Å; A115-F119 PolarHBondContact O-N 2.94Å; F119-H121 VanDerWaalsContact C-N 3.32Å; F119-H121 PolarHBondContact O-N 2.89Å; F119-D122 PolarHBondContact O-N 2.85Å; F119-L123 HydrophobicContact CD1-CD1 4.2Å; F119-L123 HydrophobicContact CD1-CG 4.1Å; F119-L123 HydrophobicContact CE1-CD1 4.05Å; F119-L123 HydrophobicContact CE1-CD2 3.85Å; F119-L123 HydrophobicContact CE1-CG 3.9Å; F119-L123 HydrophobicContact CZ-CD2 4.41Å; F119-L123 WeakPolarHBondContact O-CG 3.47Å; F119-L123 PolarHBondContact O-N 3.17Å; F119-W131 HydrophobicContact CE1-CE3 4.45Å; F119-W131 AromaticContact CE1-CH2 3.51Å; F119-W131 HydrophobicContact CE1-CH2 3.51Å; F119-W131 AromaticContact CE1-CZ2 3.68Å; F119-W131 HydrophobicContact CE1-CZ2 3.68Å; F119-W131 AromaticContact CE1-CZ3 3.92Å; F119-W131 HydrophobicContact CE1-CZ3 3.92Å; F119-W131 AromaticContact CZ-CH2 3.89Å; F119-W131 HydrophobicContact CZ-CH2 3.89Å; F119-W131 HydrophobicContact CZ-CZ2 4.06Å
120	Y	92.9	Very high	91.3	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-71.3	-26.1	178.4	-174.5	-110.5	0	0	0	113.5	L102 A116 R117 D118 L123 W131 Y133 P377 A378 V381	L102-Y120 HydrophobicContact CD1-CD2 3.76Å; L102-Y120 HydrophobicContact CD1-CG 4.28Å; A116-Y120 WeakPolarHBondContact O-CB 3.35Å; A116-Y120 PolarHBondContact O-N 2.91Å; R117-Y120 PolarHBondContact O-N 2.81Å; D118-Y120 VanDerWaalsContact C-N 3.29Å; D118-Y120 PolarHBondContact O-N 3.47Å; Y120-L123 HydrophobicContact CD2-CD1 4.01Å; Y120-W131 HydrophobicContact CE2-CB 4.37Å; Y120-Y133 HydrophobicContact CD1-CD1 4.26Å; Y120-Y133 AromaticContact CD1-CD2 3.66Å; Y120-Y133 HydrophobicContact CD1-CD2 3.66Å; Y120-Y133 HydrophobicContact CD1-CE2 4.31Å; Y120-Y133 AromaticContact CD1-CG 3.63Å; Y120-Y133 HydrophobicContact CD1-CG 3.63Å; Y120-Y133 HydrophobicContact CE1-CD1 4.15Å; Y120-Y133 HydrophobicContact CE1-CD2 4.3Å; Y120-Y133 AromaticContact CE1-CG 3.78Å; Y120-Y133 HydrophobicContact CE1-CG 3.78Å; Y120-Y133 AromaticContact CG-CD2 3.81Å; Y120-Y133 HydrophobicContact CG-CD2 3.81Å; Y120-Y133 HydrophobicContact CG-CG 4.02Å; Y120-P377 WeakPolarHBondContact OH-CB 3.49Å; Y120-P377 WeakPolarHBondContact OH-CG 3.4Å; Y120-A378 HydrophobicContact CD1-CB 4.25Å; Y120-A378 HydrophobicContact CE1-CB 3.91Å; Y120-V381 HydrophobicContact CE1-CG2 4.22Å
121	H	87.4	Confident	91.1	Very high	101 Å²	101	49 Å²	49	47%	0.468	25%	0.252	S	S	.	.	H	α-helix	trans	-69	-45.3	170.5	176.9	75.4	0	0	0	111.6	R117 D118 F119 L123 D382	R117-H121 PolarHBondContact O-N 2.97Å; D118-H121 WeakPolarHBondContact O-CB 3.25Å; D118-H121 PolarHBondContact O-N 2.89Å; D118-H121 VanDerWaalsContact O-N 3.14Å; F119-H121 VanDerWaalsContact C-N 3.32Å; F119-H121 PolarHBondContact O-N 2.89Å; H121-L123 VanDerWaalsContact C-N 3.26Å; H121-L123 PolarHBondContact O-N 2.81Å; H121-D382 IonicContact CE1-OD1 2.73Å; H121-D382 IonicContact CE1-OD2 3.19Å; H121-D382 PolarHBondContact CE1-OD2 2.89Å; H121-D382 IonicContact CG-OD1 2.66Å; H121-D382 IonicContact ND1-OD1 2.79Å; H121-D382 PolarHBondContact ND1-OD1 3.21Å; H121-D382 IonicContact ND1-OD2 2.81Å; H121-D382 PolarHBondContact ND1-OD2 2.57Å
122	D	89.7	Confident	91.1	Very high	130 Å²	130	48.4 Å²	48.4	70%	0.695	25%	0.247	S	C	*	.	H	α-helix	trans	-73.8	-13.4	-177	-67.3	-22.6	0	0	0	113.7	D118 F119	D118-D122 PolarHBondContact O-N 2.93Å; F119-D122 PolarHBondContact O-N 2.85Å
123	L	89.9	Confident	91	Very high	20 Å²	20	48.5 Å²	48.5	11%	0.105	25%	0.248	C	C	.	.	S	Bend	trans	-66.3	138.2	177.8	-84.6	176.4	0	0	0	113.2	F119 Y120 H121 E127 W131	F119-L123 HydrophobicContact CD1-CD1 4.2Å; F119-L123 HydrophobicContact CD1-CG 4.1Å; F119-L123 HydrophobicContact CE1-CD1 4.05Å; F119-L123 HydrophobicContact CE1-CD2 3.85Å; F119-L123 HydrophobicContact CE1-CG 3.9Å; F119-L123 HydrophobicContact CZ-CD2 4.41Å; F119-L123 WeakPolarHBondContact O-CG 3.47Å; F119-L123 PolarHBondContact O-N 3.17Å; Y120-L123 HydrophobicContact CD2-CD1 4.01Å; H121-L123 VanDerWaalsContact C-N 3.26Å; H121-L123 PolarHBondContact O-N 2.81Å; L123-E127 HydrophobicContact CD2-CB 4.29Å; L123-W131 HydrophobicContact CD1-CB 4.14Å; L123-W131 VanDerWaalsContact CD1-CD1 3.48Å; L123-W131 HydrophobicContact CD1-CD2 3.8Å; L123-W131 HydrophobicContact CD1-CG 3.56Å
124	D	87.4	Confident	91.1	Very high	103 Å²	103	48.8 Å²	48.8	55%	0.551	25%	0.249	S	C	*	.			trans	-56.5	143.5	175.8	-110.2	-47.6	0	0	0	112.3	S126 E127 S128	D124-S126 PolarHBondContact O-N 2.92Å; D124-E127 HydrophobicContact CB-CB 4.38Å; D124-E127 HydrophobicContact CB-CG 4.06Å; D124-E127 PolarHBondContact O-N 3.09Å; D124-S128 PolarHBondContact O-N 3.12Å; D124-S128 PolarHBondContact O-OG 3.4Å
125	P	81.2	Confident	91.2	Very high	64 Å²	64	50.9 Å²	50.9	42%	0.416	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-6.6	-178.5	-23.9	34.9	0	0	0	115.9	S128 K129 R376	P125-S128 WeakPolarHBondContact CA-OG 3.1Å; P125-K129 WeakPolarHBondContact O-CE 3.38Å; P125-K129 PolarHBondContact O-NZ 3.14Å; P125-R376 VanDerWaalsContact CB-NH1 3.26Å
126	S	85.6	Confident	91.1	Very high	72 Å²	72	52 Å²	52	50%	0.503	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-51.2	164.6	34	0	0	0	0	110.5	D124 H130	D124-S126 PolarHBondContact O-N 2.92Å; S126-H130 PolarHBondContact O-CD2 2.67Å; S126-H130 VanDerWaalsContact O-CD2 3.29Å
127	E	88.3	Confident	91	Very high	104 Å²	104	52.3 Å²	52.3	49%	0.486	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-48.4	-173.4	-58.9	-161	149.6	0	0	113.1	L123 D124 K129 H130	L123-E127 HydrophobicContact CD2-CB 4.29Å; D124-E127 HydrophobicContact CB-CB 4.38Å; D124-E127 HydrophobicContact CB-CG 4.06Å; D124-E127 PolarHBondContact O-N 3.09Å; E127-K129 PolarHBondContact O-N 2.84Å; E127-H130 WeakPolarHBondContact O-CB 3.46Å; E127-H130 PolarHBondContact O-N 3.48Å
128	S	86.7	Confident	91.1	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.028	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-29.2	-179.3	47.5	0	0	0	0	114.2	D124 P125 H130	D124-S128 PolarHBondContact O-N 3.12Å; D124-S128 PolarHBondContact O-OG 3.4Å; P125-S128 WeakPolarHBondContact CA-OG 3.1Å; S128-H130 VanDerWaalsContact C-N 3.27Å; S128-H130 PolarHBondContact O-N 3.26Å
129	K	86.7	Confident	91.2	Very high	75 Å²	75	49.9 Å²	49.9	33%	0.326	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25	174.7	-67.9	168.9	-179	146.4	0	114.2	P125 E127 N157 K375	P125-K129 WeakPolarHBondContact O-CE 3.38Å; P125-K129 PolarHBondContact O-NZ 3.14Å; E127-K129 PolarHBondContact O-N 2.84Å; K129-N157 PolarHBondContact O-ND2 3.02Å; K129-K375 WeakPolarHBondContact CE-O 3.21Å
130	H	91.3	Very high	91	Very high	110 Å²	110	50.6 Å²	50.6	51%	0.509	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-34	-178.2	-63.9	-86.4	0	0	0	112.3	P105 S126 E127 S128 K159	P105-H130 HydrophobicContact CB-CB 4.29Å; P105-H130 HydrophobicContact CG-CB 4.02Å; S126-H130 PolarHBondContact O-CD2 2.67Å; S126-H130 VanDerWaalsContact O-CD2 3.29Å; E127-H130 WeakPolarHBondContact O-CB 3.46Å; E127-H130 PolarHBondContact O-N 3.48Å; S128-H130 VanDerWaalsContact C-N 3.27Å; S128-H130 PolarHBondContact O-N 3.26Å; H130-K159 PolarHBondContact O-NZ 2.61Å
131	W	95.5	Very high	90.8	Very high	33 Å²	33	50.9 Å²	50.9	13%	0.125	26%	0.255	C	S	.	.	S	Bend	trans	-65.7	162.9	176.3	-72.1	80.6	0	0	0	113.1	L102 L103 T104 P105 H110 F119 Y120 L123 N157	L102-W131 HydrophobicContact CD1-CB 4.14Å; L102-W131 HydrophobicContact CD1-CE3 3.86Å; L102-W131 HydrophobicContact CD2-CE3 3.79Å; L102-W131 HydrophobicContact CD2-CZ3 3.9Å; L102-W131 HydrophobicContact CG-CE3 3.7Å; L102-W131 HydrophobicContact CG-CZ3 4.06Å; L103-W131 VanDerWaalsContact O-CE3 3.3Å; T104-W131 HydrophobicContact CG2-CH2 4.06Å; T104-W131 HydrophobicContact CG2-CZ3 3.9Å; P105-W131 HydrophobicContact CG-CG 4.38Å; H110-W131 HydrophobicContact CB-CZ3 3.86Å; H110-W131 AromaticContact CD2-CH2 3.53Å; H110-W131 AromaticContact CD2-CZ3 3.57Å; H110-W131 AromaticContact CG-CZ3 3.6Å; H110-W131 AromaticContact NE2-CH2 3.8Å; F119-W131 HydrophobicContact CE1-CE3 4.45Å; F119-W131 AromaticContact CE1-CH2 3.51Å; F119-W131 HydrophobicContact CE1-CH2 3.51Å; F119-W131 AromaticContact CE1-CZ2 3.68Å; F119-W131 HydrophobicContact CE1-CZ2 3.68Å; F119-W131 AromaticContact CE1-CZ3 3.92Å; F119-W131 HydrophobicContact CE1-CZ3 3.92Å; F119-W131 AromaticContact CZ-CH2 3.89Å; F119-W131 HydrophobicContact CZ-CH2 3.89Å; F119-W131 HydrophobicContact CZ-CZ2 4.06Å; Y120-W131 HydrophobicContact CE2-CB 4.37Å; L123-W131 HydrophobicContact CD1-CB 4.14Å; L123-W131 VanDerWaalsContact CD1-CD1 3.48Å; L123-W131 HydrophobicContact CD1-CD2 3.8Å; L123-W131 HydrophobicContact CD1-CG 3.56Å; W131-N157 PolarHBondContact O-ND2 2.88Å
132	L	96.7	Very high	90.7	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	85.9	-175.1	-55.2	170.9	0	0	0	109.8	L103 R107 L134 A155 K159 V161	L103-L132 HydrophobicContact CB-CB 3.98Å; L103-L132 HydrophobicContact CB-CD1 4.15Å; L103-L132 HydrophobicContact CD1-CD1 4.14Å; L103-L132 HydrophobicContact CG-CB 4.4Å; L103-L132 PolarHBondContact N-O 3.44Å; L103-L132 PolarHBondContact O-N 2.77Å; R107-L132 HydrophobicContact CB-CD1 4.37Å; R107-L132 HydrophobicContact CG-CD1 3.81Å; L132-L134 HydrophobicContact CB-CD1 4.43Å; L132-L134 WeakPolarHBondContact O-CD1 3.45Å; L132-A155 HydrophobicContact CB-CB 4.03Å; L132-A155 HydrophobicContact CD2-CB 3.95Å; L132-K159 HydrophobicContact CD2-CB 3.69Å; L132-K159 HydrophobicContact CD2-CD 3.59Å; L132-K159 HydrophobicContact CD2-CG 4.26Å; L132-V161 HydrophobicContact CD1-CG1 3.93Å
133	Y	96.6	Very high	90.4	Very high	6 Å²	6	46.6 Å²	46.6	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	129.6	170.8	179.4	-91.2	0	0	0	110.2	T100 R117 Y120 E135 A155 A156 V381	T100-Y133 HydrophobicContact CG2-CE2 4.45Å; T100-Y133 VanDerWaalsContact CG2-OH 3.25Å; T100-Y133 WeakPolarHBondContact CG2-OH 3.34Å; R117-Y133 HydrophobicContact CB-CE2 4.48Å; Y120-Y133 HydrophobicContact CD1-CD1 4.26Å; Y120-Y133 AromaticContact CD1-CD2 3.66Å; Y120-Y133 HydrophobicContact CD1-CD2 3.66Å; Y120-Y133 HydrophobicContact CD1-CE2 4.31Å; Y120-Y133 AromaticContact CD1-CG 3.63Å; Y120-Y133 HydrophobicContact CD1-CG 3.63Å; Y120-Y133 HydrophobicContact CE1-CD1 4.15Å; Y120-Y133 HydrophobicContact CE1-CD2 4.3Å; Y120-Y133 AromaticContact CE1-CG 3.78Å; Y120-Y133 HydrophobicContact CE1-CG 3.78Å; Y120-Y133 AromaticContact CG-CD2 3.81Å; Y120-Y133 HydrophobicContact CG-CD2 3.81Å; Y120-Y133 HydrophobicContact CG-CG 4.02Å; Y133-E135 HydrophobicContact CE1-CB 4.06Å; Y133-E135 HydrophobicContact CE1-CG 4.13Å; Y133-E135 WeakPolarHBondContact CE1-OE2 3.4Å; Y133-E135 PolarHBondContact OH-OE2 2.57Å; Y133-A155 WeakPolarHBondContact O-CA 3.5Å; Y133-A156 HydrophobicContact CD1-CB 4.21Å; Y133-A156 PolarHBondContact O-N 2.73Å; Y133-V381 HydrophobicContact CD1-CG2 3.95Å; Y133-V381 HydrophobicContact CE1-CG1 4.15Å; Y133-V381 HydrophobicContact CE1-CG2 3.58Å
134	L	96.4	Very high	90.2	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.2	175	-52.5	97.2	0	0	0	111	T100 I101 L132 F137 I153 A155 V161 I166	T100-L134 WeakPolarHBondContact CA-O 3.48Å; I101-L134 HydrophobicContact CG2-CB 3.78Å; I101-L134 HydrophobicContact CG2-CD1 3.93Å; I101-L134 HydrophobicContact CG2-CG 4.45Å; I101-L134 PolarHBondContact N-O 2.8Å; I101-L134 PolarHBondContact O-N 2.99Å; L132-L134 HydrophobicContact CB-CD1 4.43Å; L132-L134 WeakPolarHBondContact O-CD1 3.45Å; L134-F137 HydrophobicContact CB-CD1 4.27Å; L134-I153 HydrophobicContact CD2-CD1 3.77Å; L134-I153 HydrophobicContact CD2-CG1 3.93Å; L134-A155 HydrophobicContact CD1-CB 4.24Å; L134-A155 HydrophobicContact CD2-CB 4.26Å; L134-A155 HydrophobicContact CG-CB 3.91Å; L134-V161 HydrophobicContact CD2-CG2 3.65Å; L134-I166 HydrophobicContact CD1-CD1 3.83Å; L134-I166 HydrophobicContact CD2-CD1 4.5Å; L134-I166 HydrophobicContact CD2-CG1 4.38Å
135	E	94.4	Very high	89.8	Confident	65 Å²	65	47.1 Å²	47.1	30%	0.304	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	162.8	174.8	66.5	171.2	-130.9	0	0	110.4	T100 Y133 F137	T100-E135 HydrophobicContact CG2-CB 3.9Å; Y133-E135 HydrophobicContact CE1-CB 4.06Å; Y133-E135 HydrophobicContact CE1-CG 4.13Å; Y133-E135 WeakPolarHBondContact CE1-OE2 3.4Å; Y133-E135 PolarHBondContact OH-OE2 2.57Å; E135-F137 PolarHBondContact O-N 2.83Å
136	K	92.3	Very high	89.8	Confident	46 Å²	46	50.3 Å²	50.3	20%	0.2	27%	0.267	C	S	.	.	S	Bend	trans	56.8	13.8	173.3	-57.8	170.7	-173	174.5	0	114.6	T63 K138 M139 I350 D353	T63-K136 HydrophobicContact CG2-CB 4.43Å; K136-K138 PolarHBondContact O-N 3.21Å; K136-K138 VanDerWaalsContact O-N 3.13Å; K136-M139 PolarHBondContact O-N 3.3Å; K136-M139 VanDerWaalsContact O-N 3.17Å; K136-I350 HydrophobicContact CD-CG2 3.86Å; K136-I350 HydrophobicContact CG-CG2 4.37Å; K136-D353 IonicContact NZ-OD2 3.59Å; K136-D353 PolarHBondContact NZ-OD2 2.9Å
137	F	94.8	Very high	90	Very high	7 Å²	7	47.1 Å²	47.1	3%	0.031	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.1	-171.1	58	-98.5	0	0	0	113.5	F61 T99 I101 F112 L134 E135 M139 K140 I153 I166 F167 A170	F61-F137 AromaticContact CE1-CE2 3.99Å; F61-F137 HydrophobicContact CE1-CE2 3.99Å; F61-F137 HydrophobicContact CE1-CZ 4.5Å; F61-F137 AromaticContact CZ-CE2 3.87Å; F61-F137 HydrophobicContact CZ-CE2 3.87Å; F61-F137 HydrophobicContact CZ-CZ 4.15Å; T99-F137 HydrophobicContact CG2-CE1 4.03Å; T99-F137 HydrophobicContact CG2-CE2 4.47Å; T99-F137 HydrophobicContact CG2-CZ 3.83Å; I101-F137 HydrophobicContact CG2-CD1 4.3Å; I101-F137 HydrophobicContact CG2-CE1 3.81Å; F112-F137 HydrophobicContact CE2-CZ 4.47Å; L134-F137 HydrophobicContact CB-CD1 4.27Å; E135-F137 PolarHBondContact O-N 2.83Å; F137-M139 PolarHBondContact O-N 2.88Å; F137-M139 VanDerWaalsContact O-N 3.14Å; F137-K140 WeakPolarHBondContact O-CB 2.97Å; F137-K140 PolarHBondContact O-N 2.88Å; F137-I153 HydrophobicContact CB-CD1 3.7Å; F137-I153 HydrophobicContact CG-CD1 4.35Å; F137-I166 HydrophobicContact CD1-CG2 4.07Å; F137-I166 HydrophobicContact CD2-CG2 3.77Å; F137-I166 HydrophobicContact CE1-CG2 4.03Å; F137-I166 HydrophobicContact CE2-CG2 3.72Å; F137-I166 HydrophobicContact CG-CG2 3.95Å; F137-I166 HydrophobicContact CZ-CG2 3.85Å; F137-F167 HydrophobicContact CD2-CD2 4.09Å; F137-F167 HydrophobicContact CD2-CE1 4.19Å; F137-F167 AromaticContact CD2-CE2 3.65Å; F137-F167 HydrophobicContact CD2-CE2 3.65Å; F137-F167 AromaticContact CD2-CZ 3.71Å; F137-F167 HydrophobicContact CD2-CZ 3.71Å; F137-F167 HydrophobicContact CE2-CD1 4.22Å; F137-F167 HydrophobicContact CE2-CD2 4.22Å; F137-F167 HydrophobicContact CE2-CE1 4.15Å; F137-F167 HydrophobicContact CE2-CE2 4.16Å; F137-F167 HydrophobicContact CE2-CG 4.28Å; F137-F167 HydrophobicContact CE2-CZ 4.13Å; F137-A170 HydrophobicContact CZ-CB 4.47Å
138	K	94.4	Very high	90	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.013	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-37.5	171	-164.5	-174.2	-178.5	-179.5	0	112.6	F61 K136 K140 L141 W205 E236	F61-K138 HydrophobicContact CD1-CD 4.37Å; F61-K138 WeakPolarHBondContact O-CD 3.49Å; F61-K138 WeakPolarHBondContact O-CE 3.47Å; F61-K138 PolarHBondContact O-NZ 3.42Å; K136-K138 PolarHBondContact O-N 3.21Å; K136-K138 VanDerWaalsContact O-N 3.13Å; K138-K140 PolarHBondContact O-N 3.11Å; K138-K140 VanDerWaalsContact O-N 3.07Å; K138-L141 PolarHBondContact O-N 3.38Å; K138-L141 VanDerWaalsContact O-N 3.16Å; K138-W205 HydrophobicContact CD-CH2 4.18Å; K138-W205 HydrophobicContact CD-CZ2 4.17Å; K138-W205 HydrophobicContact CG-CH2 3.65Å; K138-W205 HydrophobicContact CG-CZ2 3.69Å; K138-E236 IonicContact NZ-OE1 2.69Å; K138-E236 PolarHBondContact NZ-OE1 2.96Å; K138-E236 IonicContact NZ-OE2 2.7Å
139	M	92.1	Very high	90.2	Very high	18 Å²	18	47.2 Å²	47.2	9%	0.089	25%	0.25	C	C	.	.	H	α-helix	trans	-61.4	-19.2	180	-67.5	-53.2	-68.1	0	0	114.3	T63 K136 F137 L141 H142 T143 G320 T321 P346 I350	T63-M139 HydrophobicContact CG2-CG 3.62Å; T63-M139 HydrophobicContact CG2-SD 3.91Å; K136-M139 PolarHBondContact O-N 3.3Å; K136-M139 VanDerWaalsContact O-N 3.17Å; F137-M139 PolarHBondContact O-N 2.88Å; F137-M139 VanDerWaalsContact O-N 3.14Å; M139-L141 VanDerWaalsContact C-N 3.3Å; M139-L141 PolarHBondContact O-N 3.48Å; M139-H142 PolarHBondContact O-N 3.28Å; M139-T143 WeakPolarHBondContact O-CB 3.5Å; M139-T143 WeakPolarHBondContact O-CG2 3.48Å; M139-T143 PolarHBondContact O-N 2.97Å; M139-T143 PolarHBondContact O-OG1 3.44Å; M139-G320 WeakPolarHBondContact CE-O 3.12Å; M139-G320 WeakPolarHBondContact SD-CA 3.41Å; M139-T321 HydrophobicContact CE-CG2 4.39Å; M139-T321 HydrophobicContact SD-CG2 4.49Å; M139-P346 HydrophobicContact CE-CB 4Å; M139-I350 HydrophobicContact CE-CD1 4.17Å; M139-I350 HydrophobicContact CG-CD1 3.71Å; M139-I350 HydrophobicContact SD-CD1 4.09Å
140	K	90.8	Very high	90.4	Very high	93 Å²	93	48 Å²	48	40%	0.404	26%	0.258	S	S	.	.	H	α-helix	trans	-70.3	-25.1	178.6	-68.4	-72.9	179.5	-170.4	0	112.9	F137 K138 H142 T144 I153	F137-K140 WeakPolarHBondContact O-CB 2.97Å; F137-K140 PolarHBondContact O-N 2.88Å; K138-K140 PolarHBondContact O-N 3.11Å; K138-K140 VanDerWaalsContact O-N 3.07Å; K140-H142 VanDerWaalsContact C-N 3.33Å; K140-T144 VanDerWaalsContact O-CB 3.24Å; K140-T144 WeakPolarHBondContact O-CB 3.5Å; K140-T144 PolarHBondContact O-N 3.35Å; K140-T144 PolarHBondContact O-OG1 2.98Å; K140-I153 HydrophobicContact CB-CG2 3.77Å; K140-I153 HydrophobicContact CD-CG2 4.25Å; K140-I153 HydrophobicContact CG-CG2 3.6Å
141	L	87.8	Confident	90.6	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-74	-25.7	174.2	-51	-170.3	0	0	0	112.6	K138 M139 L147 F167 W205 A209 F212 M213	K138-L141 PolarHBondContact O-N 3.38Å; K138-L141 VanDerWaalsContact O-N 3.16Å; M139-L141 VanDerWaalsContact C-N 3.3Å; M139-L141 PolarHBondContact O-N 3.48Å; L141-L147 HydrophobicContact CB-CD2 4.2Å; L141-L147 HydrophobicContact CD2-CD1 3.69Å; L141-L147 HydrophobicContact CD2-CD2 4.02Å; L141-L147 HydrophobicContact CD2-CG 4.5Å; L141-F167 HydrophobicContact CD1-CD1 4.27Å; L141-F167 HydrophobicContact CD1-CE1 3.55Å; L141-F167 HydrophobicContact CD1-CE2 4.23Å; L141-F167 HydrophobicContact CD1-CZ 3.53Å; L141-F167 HydrophobicContact CD2-CE2 3.99Å; L141-F167 HydrophobicContact CD2-CZ 3.94Å; L141-F167 HydrophobicContact CG-CE1 4.1Å; L141-F167 HydrophobicContact CG-CE2 4.12Å; L141-F167 HydrophobicContact CG-CZ 3.54Å; L141-W205 HydrophobicContact CB-CH2 3.89Å; L141-W205 HydrophobicContact CB-CZ2 4.04Å; L141-W205 HydrophobicContact CB-CZ3 4.25Å; L141-W205 HydrophobicContact CD1-CH2 3.69Å; L141-W205 HydrophobicContact CD1-CZ3 3.79Å; L141-W205 HydrophobicContact CG-CH2 4.21Å; L141-A209 HydrophobicContact CB-CB 3.92Å; L141-F212 HydrophobicContact CD1-CB 4.39Å; L141-F212 HydrophobicContact CD1-CD1 3.61Å; L141-F212 HydrophobicContact CD1-CE1 4.24Å; L141-F212 HydrophobicContact CD1-CG 4.23Å; L141-F212 HydrophobicContact CD2-CD1 3.52Å; L141-F212 HydrophobicContact CD2-CD2 4.23Å; L141-F212 HydrophobicContact CD2-CE1 3.63Å; L141-F212 HydrophobicContact CD2-CE2 4.3Å; L141-F212 HydrophobicContact CD2-CG 3.84Å; L141-F212 HydrophobicContact CD2-CZ 4.02Å; L141-F212 HydrophobicContact CG-CD1 4.25Å; L141-M213 HydrophobicContact CD1-CG 4.28Å; L141-M213 HydrophobicContact CD1-SD 3.82Å
142	H	85.3	Confident	90.6	Very high	58 Å²	58	45.8 Å²	45.8	27%	0.269	25%	0.25	S	S	.	.	H	α-helix	trans	-85.6	-40.8	175.5	-177.2	72.7	0	0	0	112.9	M139 K140 W205	M139-H142 PolarHBondContact O-N 3.28Å; K140-H142 VanDerWaalsContact C-N 3.33Å; H142-W205 AromaticContact ND1-CD1 3.94Å
143	T	84.9	Confident	90.5	Very high	83 Å²	83	45.9 Å²	45.9	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-87.6	-12.8	-171.7	52.7	0	0	0	0	114.8	M139	M139-T143 WeakPolarHBondContact O-CB 3.5Å; M139-T143 WeakPolarHBondContact O-CG2 3.48Å; M139-T143 PolarHBondContact O-N 2.97Å; M139-T143 PolarHBondContact O-OG1 3.44Å
144	T	85.4	Confident	90.4	Very high	43 Å²	43	50.9 Å²	50.9	26%	0.264	27%	0.274	S	S	.	.			trans	-86.2	114.4	178.1	-53.7	0	0	0	0	110	K140 T151	K140-T144 VanDerWaalsContact O-CB 3.24Å; K140-T144 WeakPolarHBondContact O-CB 3.5Å; K140-T144 PolarHBondContact O-N 3.35Å; K140-T144 PolarHBondContact O-OG1 2.98Å; T144-T151 HydrophobicContact CG2-CG2 4.27Å
145	A	78	Confident	90.3	Very high	90 Å²	90	51 Å²	51	74%	0.744	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-45.3	-178.6	0	0	0	0	0	113
146	N	82.7	Confident	90.1	Very high	131 Å²	131	49.9 Å²	49.9	70%	0.701	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	73.3	178.8	-62.3	-13.8	0	0	0	109
147	L	88.3	Confident	89.8	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.031	28%	0.276	C	S	.	.			trans	-71.5	129.6	177.6	-176.6	69.6	0	0	0	110.4	L141 T151 P208 A209 F212 L672	L141-L147 HydrophobicContact CB-CD2 4.2Å; L141-L147 HydrophobicContact CD2-CD1 3.69Å; L141-L147 HydrophobicContact CD2-CD2 4.02Å; L141-L147 HydrophobicContact CD2-CG 4.5Å; L147-T151 HydrophobicContact CD1-CG2 4.06Å; L147-P208 HydrophobicContact CB-CB 4.33Å; L147-P208 HydrophobicContact CD2-CB 4.26Å; L147-A209 HydrophobicContact CD2-CB 4.06Å; L147-F212 HydrophobicContact CD1-CD2 4.11Å; L147-F212 HydrophobicContact CD1-CE2 4.26Å; L147-F212 HydrophobicContact CD2-CB 3.97Å; L147-F212 HydrophobicContact CD2-CD2 4.12Å; L147-F212 HydrophobicContact CD2-CG 4.21Å; L147-F212 HydrophobicContact CG-CD2 4.06Å; L147-L672 HydrophobicContact CD2-CD2 4.26Å; L147-L672 HydrophobicContact CG-CD2 4.07Å; L147-L672 WeakPolarHBondContact O-CD2 3.16Å
148	S	89.8	Confident	89.5	Confident	35 Å²	35	51.1 Å²	51.1	25%	0.245	30%	0.298	C	S	.	.			trans	-141.7	168.7	177	77.1	0	0	0	0	111.6	D150 T151 L672	S148-D150 PolarHBondContact O-N 3.15Å; S148-D150 VanDerWaalsContact O-N 3.11Å; S148-D150 PolarHBondContact OG-N 3.49Å; S148-T151 PolarHBondContact N-OG1 3.41Å; S148-T151 VanDerWaalsContact O-CB 3.3Å; S148-T151 WeakPolarHBondContact O-CB 3.26Å; S148-T151 PolarHBondContact O-N 2.83Å; S148-T151 PolarHBondContact O-OG1 2.86Å; S148-L672 WeakPolarHBondContact CB-O 3.31Å
149	I	89.4	Confident	89.3	Confident	74 Å²	74	54.8 Å²	54.8	38%	0.379	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.2	176.8	59.8	169	0	0	0	114.3	L164 L672	I149-L164 HydrophobicContact CB-CD2 4.34Å; I149-L672 HydrophobicContact CG2-CB 4.37Å; I149-L672 HydrophobicContact CG2-CD1 4.12Å
150	D	91.7	Very high	89.5	Confident	92 Å²	92	60.3 Å²	60.3	49%	0.492	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	5.6	179.6	-74.1	-57.4	0	0	0	113.8	S148 E152 K162	S148-D150 PolarHBondContact O-N 3.15Å; S148-D150 VanDerWaalsContact O-N 3.11Å; S148-D150 PolarHBondContact OG-N 3.49Å; D150-E152 PolarHBondContact O-N 2.87Å; D150-K162 WeakPolarHBondContact OD1-CE 3.39Å; D150-K162 IonicContact OD1-NZ 3.44Å; D150-K162 PolarHBondContact OD1-NZ 3.33Å
151	T	94.8	Very high	89.7	Confident	18 Å²	18	56.1 Å²	56.1	11%	0.11	32%	0.315	C	S	.	.			trans	-57.6	124.1	178.8	-63.6	0	0	0	0	111	T144 L147 S148 A163	T144-T151 HydrophobicContact CG2-CG2 4.27Å; L147-T151 HydrophobicContact CD1-CG2 4.06Å; S148-T151 PolarHBondContact N-OG1 3.41Å; S148-T151 VanDerWaalsContact O-CB 3.3Å; S148-T151 WeakPolarHBondContact O-CB 3.26Å; S148-T151 PolarHBondContact O-N 2.83Å; S148-T151 PolarHBondContact O-OG1 2.86Å; T151-A163 HydrophobicContact CG2-CB 4.48Å; T151-A163 WeakPolarHBondContact O-CB 3.5Å; T151-A163 PolarHBondContact O-N 2.67Å
152	E	95.6	Very high	90.2	Very high	79 Å²	79	59.6 Å²	59.6	37%	0.369	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	145.5	177.3	-64	-164.6	111.1	0	0	112.3	D150 R160 V161	D150-E152 PolarHBondContact O-N 2.87Å; E152-R160 HydrophobicContact CB-CB 4.33Å; E152-R160 IonicContact OE2-CZ 2.64Å; E152-R160 IonicContact OE2-NE 3.15Å; E152-R160 PolarHBondContact OE2-NE 2.92Å; E152-R160 IonicContact OE2-NH2 2.78Å; E152-R160 PolarHBondContact OE2-NH2 2.97Å; E152-V161 CarbonylContact C-O 3.49Å; E152-V161 VanDerWaalsContact CA-O 3.29Å; E152-V161 WeakPolarHBondContact CA-O 3.47Å
153	I	95.5	Very high	90.7	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.015	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	161.3	172.8	61.3	172.8	0	0	0	110.6	L134 F137 K140 R160 V161 A163 I166	L134-I153 HydrophobicContact CD2-CD1 3.77Å; L134-I153 HydrophobicContact CD2-CG1 3.93Å; F137-I153 HydrophobicContact CB-CD1 3.7Å; F137-I153 HydrophobicContact CG-CD1 4.35Å; K140-I153 HydrophobicContact CB-CG2 3.77Å; K140-I153 HydrophobicContact CD-CG2 4.25Å; K140-I153 HydrophobicContact CG-CG2 3.6Å; I153-R160 CarbonylContact O-C 3.49Å; I153-R160 WeakPolarHBondContact O-CA 3.38Å; I153-V161 HydrophobicContact CD1-CG2 4.47Å; I153-V161 HydrophobicContact CG1-CG2 3.73Å; I153-V161 PolarHBondContact N-O 2.8Å; I153-V161 PolarHBondContact O-N 2.74Å; I153-A163 HydrophobicContact CG1-CB 4.46Å; I153-A163 HydrophobicContact CG2-CB 4.02Å; I153-I166 HydrophobicContact CD1-CB 4.14Å; I153-I166 HydrophobicContact CD1-CG1 4.05Å; I153-I166 HydrophobicContact CD1-CG2 4.09Å
154	H	93.6	Very high	91.3	Very high	112 Å²	112	53.7 Å²	53.7	52%	0.519	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.2	-173.3	-63.5	68.7	0	0	0	110.3	G158 K159	H154-G158 PolarHBondContact CD2-O 2.9Å; H154-K159 WeakPolarHBondContact CA-O 3.43Å
155	A	94	Very high	91.9	Very high	6 Å²	6	53.7 Å²	53.7	5%	0.05	30%	0.296	C	S	.	.			trans	-78.8	169.1	166.6	0	0	0	0	0	111.6	L132 Y133 L134 N157 G158 K159	L132-A155 HydrophobicContact CB-CB 4.03Å; L132-A155 HydrophobicContact CD2-CB 3.95Å; Y133-A155 WeakPolarHBondContact O-CA 3.5Å; L134-A155 HydrophobicContact CD1-CB 4.24Å; L134-A155 HydrophobicContact CD2-CB 4.26Å; L134-A155 HydrophobicContact CG-CB 3.91Å; A155-N157 PolarHBondContact O-N 3.07Å; A155-N157 VanDerWaalsContact O-N 3.08Å; A155-G158 WeakPolarHBondContact O-CA 3.03Å; A155-G158 PolarHBondContact O-N 3.21Å; A155-K159 PolarHBondContact N-O 2.57Å
156	A	90	Very high	92.9	Very high	42 Å²	42	49.4 Å²	49.4	35%	0.347	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.7	-177.7	0	0	0	0	0	114.4	Y133 G158 P377	Y133-A156 HydrophobicContact CD1-CB 4.21Å; Y133-A156 PolarHBondContact O-N 2.73Å; A156-G158 VanDerWaalsContact C-N 3.34Å; A156-P377 HydrophobicContact CB-CB 4.13Å
157	N	87.1	Confident	93.6	Very high	33 Å²	33	43.1 Å²	43.1	18%	0.176	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	8.8	173.1	65.6	0.2	0	0	0	114.3	K129 W131 A155 K159	K129-N157 PolarHBondContact O-ND2 3.02Å; W131-N157 PolarHBondContact O-ND2 2.88Å; A155-N157 PolarHBondContact O-N 3.07Å; A155-N157 VanDerWaalsContact O-N 3.08Å; N157-K159 VanDerWaalsContact C-N 3.3Å; N157-K159 WeakPolarHBondContact ND2-CD 3.33Å; N157-K159 PolarHBondContact O-N 2.73Å; N157-K159 WeakPolarHBondContact OD1-CB 3.44Å; N157-K159 PolarHBondContact OD1-N 3.13Å
158	G	87.8	Confident	94.1	Very high	47 Å²	47	43.1 Å²	43.1	49%	0.485	23%	0.227	S	C	.	.	S	Bend	trans	79.3	-2.3	179.7	0	0	0	0	0	115.7	H154 A155 A156	H154-G158 PolarHBondContact CD2-O 2.9Å; A155-G158 WeakPolarHBondContact O-CA 3.03Å; A155-G158 PolarHBondContact O-N 3.21Å; A156-G158 VanDerWaalsContact C-N 3.34Å
159	K	91.6	Very high	94.5	Very high	79 Å²	79	44.9 Å²	44.9	34%	0.343	23%	0.229	S	C	.	.			trans	-71.6	140.9	177	-67.7	176.8	-176	173.6	0	111	H130 L132 H154 A155 N157	H130-K159 PolarHBondContact O-NZ 2.61Å; L132-K159 HydrophobicContact CD2-CB 3.69Å; L132-K159 HydrophobicContact CD2-CD 3.59Å; L132-K159 HydrophobicContact CD2-CG 4.26Å; H154-K159 WeakPolarHBondContact CA-O 3.43Å; A155-K159 PolarHBondContact N-O 2.57Å; N157-K159 VanDerWaalsContact C-N 3.3Å; N157-K159 WeakPolarHBondContact ND2-CD 3.33Å; N157-K159 PolarHBondContact O-N 2.73Å; N157-K159 WeakPolarHBondContact OD1-CB 3.44Å; N157-K159 PolarHBondContact OD1-N 3.13Å
160	R	95.2	Very high	94.9	Very high	135 Å²	135	41.3 Å²	41.3	51%	0.509	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	138.9	179.1	-52.3	-164.5	-45.6	-130.4	7	112.3	R107 E152 I153	R107-R160 PolarHBondContact NH1-O 2.86Å; R107-R160 PolarHBondContact NH2-O 3.48Å; R107-R160 VanDerWaalsContact NH2-O 3.16Å; E152-R160 HydrophobicContact CB-CB 4.33Å; E152-R160 IonicContact OE2-CZ 2.64Å; E152-R160 IonicContact OE2-NE 3.15Å; E152-R160 PolarHBondContact OE2-NE 2.92Å; E152-R160 IonicContact OE2-NH2 2.78Å; E152-R160 PolarHBondContact OE2-NH2 2.97Å; I153-R160 CarbonylContact O-C 3.49Å; I153-R160 WeakPolarHBondContact O-CA 3.38Å
161	V	96.3	Very high	95.3	Very high	4 Å²	4	37 Å²	37	2%	0.024	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.5	174.9	-60.6	0	0	0	0	109.5	L103 L132 L134 E152 I153 A163 I166	L103-V161 HydrophobicContact CD1-CG1 4.47Å; L132-V161 HydrophobicContact CD1-CG1 3.93Å; L134-V161 HydrophobicContact CD2-CG2 3.65Å; E152-V161 CarbonylContact C-O 3.49Å; E152-V161 VanDerWaalsContact CA-O 3.29Å; E152-V161 WeakPolarHBondContact CA-O 3.47Å; I153-V161 HydrophobicContact CD1-CG2 4.47Å; I153-V161 HydrophobicContact CG1-CG2 3.73Å; I153-V161 PolarHBondContact N-O 2.8Å; I153-V161 PolarHBondContact O-N 2.74Å; V161-A163 PolarHBondContact O-N 2.52Å; V161-I166 HydrophobicContact CG2-CD1 4.06Å; V161-I166 HydrophobicContact CG2-CG1 3.69Å
162	K	96.3	Very high	95.4	Very high	82 Å²	82	37 Å²	37	36%	0.357	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.4	173.6	-70.1	-165.2	166.4	-159.5	0	109.9	D150 L164 D165	D150-K162 WeakPolarHBondContact OD1-CE 3.39Å; D150-K162 IonicContact OD1-NZ 3.44Å; D150-K162 PolarHBondContact OD1-NZ 3.33Å; K162-L164 VanDerWaalsContact C-N 3.28Å; K162-L164 PolarHBondContact O-N 3.07Å; K162-D165 HydrophobicContact CB-CB 4.47Å; K162-D165 PolarHBondContact O-N 2.84Å
163	A	97.1	Very high	95.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.2	-44.3	175.7	0	0	0	0	0	110.7	T151 I153 V161 D165 I166 F167 F212	T151-A163 HydrophobicContact CG2-CB 4.48Å; T151-A163 WeakPolarHBondContact O-CB 3.5Å; T151-A163 PolarHBondContact O-N 2.67Å; I153-A163 HydrophobicContact CG1-CB 4.46Å; I153-A163 HydrophobicContact CG2-CB 4.02Å; V161-A163 PolarHBondContact O-N 2.52Å; A163-D165 PolarHBondContact O-N 3.08Å; A163-I166 WeakPolarHBondContact O-CB 3.14Å; A163-I166 PolarHBondContact O-N 3.27Å; A163-F167 WeakPolarHBondContact O-CD2 3.14Å; A163-F167 PolarHBondContact O-N 3.42Å; A163-F212 HydrophobicContact CB-CE1 4.41Å; A163-F212 HydrophobicContact CB-CE2 4.46Å; A163-F212 HydrophobicContact CB-CZ 3.66Å
164	L	97.3	Very high	95.7	Very high	17 Å²	17	34.3 Å²	34.3	9%	0.089	18%	0.177	C	C	.	.	H	α-helix	trans	-59.5	-35.4	-173.9	-170.3	66.6	0	0	0	112.3	I149 K162 A168 F212 E215 A216 K219	I149-L164 HydrophobicContact CB-CD2 4.34Å; K162-L164 VanDerWaalsContact C-N 3.28Å; K162-L164 PolarHBondContact O-N 3.07Å; L164-A168 WeakPolarHBondContact O-CB 3.47Å; L164-A168 PolarHBondContact O-N 3.38Å; L164-F212 HydrophobicContact CB-CE2 4.44Å; L164-F212 HydrophobicContact CB-CZ 3.95Å; L164-F212 HydrophobicContact CD1-CE1 4.13Å; L164-F212 HydrophobicContact CD1-CE2 4.35Å; L164-F212 HydrophobicContact CD1-CZ 4.03Å; L164-E215 HydrophobicContact CD1-CB 4.03Å; L164-A216 HydrophobicContact CD1-CB 4.06Å; L164-K219 HydrophobicContact CD2-CD 3.98Å; L164-K219 HydrophobicContact CG-CD 3.9Å
165	D	97.7	Very high	95.9	Very high	42 Å²	42	31 Å²	31	23%	0.225	16%	0.161	C	C	.	.	H	α-helix	trans	-65.5	-43	175.7	-58.4	-10.5	0	0	0	111	K162 A163 A168 Y169 K219	K162-D165 HydrophobicContact CB-CB 4.47Å; K162-D165 PolarHBondContact O-N 2.84Å; A163-D165 PolarHBondContact O-N 3.08Å; D165-A168 PolarHBondContact O-N 3.45Å; D165-Y169 HydrophobicContact CB-CE2 4.24Å; D165-Y169 WeakPolarHBondContact O-CB 3.41Å; D165-Y169 WeakPolarHBondContact O-CD2 3.19Å; D165-Y169 PolarHBondContact O-N 2.9Å; D165-K219 WeakPolarHBondContact OD1-CE 3.45Å; D165-K219 IonicContact OD1-NZ 3.17Å; D165-K219 PolarHBondContact OD1-NZ 2.78Å
166	I	98.3	Very high	96	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.8	-44.3	-178.9	-65.8	-57.8	0	0	0	112.3	I101 L103 L134 F137 I153 V161 A163 Y169 A170	I101-I166 HydrophobicContact CD1-CD1 4.3Å; I101-I166 HydrophobicContact CD1-CG2 4.44Å; I101-I166 HydrophobicContact CG2-CD1 4.39Å; I101-I166 HydrophobicContact CG2-CG2 3.94Å; L103-I166 HydrophobicContact CD1-CD1 3.67Å; L103-I166 HydrophobicContact CD2-CD1 4.17Å; L103-I166 HydrophobicContact CG-CD1 4.1Å; L134-I166 HydrophobicContact CD1-CD1 3.83Å; L134-I166 HydrophobicContact CD2-CD1 4.5Å; L134-I166 HydrophobicContact CD2-CG1 4.38Å; F137-I166 HydrophobicContact CD1-CG2 4.07Å; F137-I166 HydrophobicContact CD2-CG2 3.77Å; F137-I166 HydrophobicContact CE1-CG2 4.03Å; F137-I166 HydrophobicContact CE2-CG2 3.72Å; F137-I166 HydrophobicContact CG-CG2 3.95Å; F137-I166 HydrophobicContact CZ-CG2 3.85Å; I153-I166 HydrophobicContact CD1-CB 4.14Å; I153-I166 HydrophobicContact CD1-CG1 4.05Å; I153-I166 HydrophobicContact CD1-CG2 4.09Å; V161-I166 HydrophobicContact CG2-CD1 4.06Å; V161-I166 HydrophobicContact CG2-CG1 3.69Å; A163-I166 WeakPolarHBondContact O-CB 3.14Å; A163-I166 PolarHBondContact O-N 3.27Å; I166-Y169 HydrophobicContact CD1-CD2 4.5Å; I166-A170 WeakPolarHBondContact O-CB 3.32Å; I166-A170 PolarHBondContact O-N 3.16Å; I166-A170 VanDerWaalsContact O-N 3.15Å
167	F	98.3	Very high	96.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.8	-37.8	174.8	-74.7	-101.5	0	0	0	111.4	F61 F137 L141 A163 A170 L171 F212 M213 A216	F61-F167 HydrophobicContact CD1-CD1 4.46Å; F61-F167 HydrophobicContact CD1-CE1 4.4Å; F61-F167 AromaticContact CE1-CD1 3.58Å; F61-F167 HydrophobicContact CE1-CD1 3.58Å; F61-F167 AromaticContact CE1-CE1 3.63Å; F61-F167 HydrophobicContact CE1-CE1 3.63Å; F61-F167 AromaticContact CZ-CD1 3.78Å; F61-F167 HydrophobicContact CZ-CD1 3.78Å; F61-F167 HydrophobicContact CZ-CE1 4.26Å; F137-F167 HydrophobicContact CD2-CD2 4.09Å; F137-F167 HydrophobicContact CD2-CE1 4.19Å; F137-F167 AromaticContact CD2-CE2 3.65Å; F137-F167 HydrophobicContact CD2-CE2 3.65Å; F137-F167 AromaticContact CD2-CZ 3.71Å; F137-F167 HydrophobicContact CD2-CZ 3.71Å; F137-F167 HydrophobicContact CE2-CD1 4.22Å; F137-F167 HydrophobicContact CE2-CD2 4.22Å; F137-F167 HydrophobicContact CE2-CE1 4.15Å; F137-F167 HydrophobicContact CE2-CE2 4.16Å; F137-F167 HydrophobicContact CE2-CG 4.28Å; F137-F167 HydrophobicContact CE2-CZ 4.13Å; L141-F167 HydrophobicContact CD1-CD1 4.27Å; L141-F167 HydrophobicContact CD1-CE1 3.55Å; L141-F167 HydrophobicContact CD1-CE2 4.23Å; L141-F167 HydrophobicContact CD1-CZ 3.53Å; L141-F167 HydrophobicContact CD2-CE2 3.99Å; L141-F167 HydrophobicContact CD2-CZ 3.94Å; L141-F167 HydrophobicContact CG-CE1 4.1Å; L141-F167 HydrophobicContact CG-CE2 4.12Å; L141-F167 HydrophobicContact CG-CZ 3.54Å; A163-F167 WeakPolarHBondContact O-CD2 3.14Å; A163-F167 PolarHBondContact O-N 3.42Å; F167-A170 PolarHBondContact O-N 2.99Å; F167-L171 WeakPolarHBondContact O-CG 3.28Å; F167-L171 PolarHBondContact O-N 2.71Å; F167-F212 HydrophobicContact CB-CE1 4.35Å; F167-F212 AromaticContact CD2-CE1 3.75Å; F167-F212 HydrophobicContact CD2-CE1 3.75Å; F167-F212 HydrophobicContact CE2-CE1 4.15Å; F167-F212 HydrophobicContact CG-CE1 4.07Å; F167-M213 HydrophobicContact CD1-CE 4.1Å; F167-M213 HydrophobicContact CD1-SD 3.45Å; F167-M213 WeakPolarHBondContact CD1-SD 3.48Å; F167-M213 HydrophobicContact CE1-SD 3.69Å; F167-M213 HydrophobicContact CG-SD 4.48Å; F167-A216 HydrophobicContact CB-CB 3.64Å
168	A	98.5	Very high	96.7	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.041	17%	0.168	C	C	.	.	H	α-helix	trans	-63.2	-46.4	176	0	0	0	0	0	112.1	L164 D165 A170 L171 A172 K219 S220	L164-A168 WeakPolarHBondContact O-CB 3.47Å; L164-A168 PolarHBondContact O-N 3.38Å; D165-A168 PolarHBondContact O-N 3.45Å; A168-A170 VanDerWaalsContact C-N 3.33Å; A168-A170 PolarHBondContact O-N 3.09Å; A168-L171 PolarHBondContact O-N 3.46Å; A168-A172 WeakPolarHBondContact O-CB 3.46Å; A168-A172 PolarHBondContact O-N 3.44Å; A168-K219 HydrophobicContact CB-CB 3.9Å; A168-K219 HydrophobicContact CB-CD 4.16Å; A168-K219 HydrophobicContact CB-CG 3.83Å; A168-S220 WeakPolarHBondContact O-CB 3.39Å
169	Y	98.6	Very high	97.1	Very high	72 Å²	72	33.5 Å²	33.5	28%	0.282	15%	0.152	S	C	.	.	H	α-helix	trans	-59.9	-41.6	175.7	-67.6	-37.8	0	0	0	112.3	I101 L103 R107 F109 D165 I166 A172 F173	I101-Y169 HydrophobicContact CD1-CD2 4.28Å; I101-Y169 HydrophobicContact CD1-CG 4.49Å; L103-Y169 HydrophobicContact CD1-CE2 4.28Å; L103-Y169 HydrophobicContact CD2-CD2 3.69Å; L103-Y169 HydrophobicContact CD2-CE2 3.8Å; R107-Y169 PolarHBondContact O-OH 3.28Å; F109-Y169 HydrophobicContact CB-CD1 3.9Å; F109-Y169 HydrophobicContact CB-CD2 4.29Å; F109-Y169 HydrophobicContact CB-CE1 4.17Å; F109-Y169 HydrophobicContact CB-CG 3.97Å; F109-Y169 HydrophobicContact CD2-CG 4.29Å; F109-Y169 HydrophobicContact CG-CG 4.45Å; D165-Y169 HydrophobicContact CB-CE2 4.24Å; D165-Y169 WeakPolarHBondContact O-CB 3.41Å; D165-Y169 WeakPolarHBondContact O-CD2 3.19Å; D165-Y169 PolarHBondContact O-N 2.9Å; I166-Y169 HydrophobicContact CD1-CD2 4.5Å; Y169-A172 PolarHBondContact O-N 3.05Å; Y169-F173 PolarHBondContact O-N 3.13Å
170	A	98.3	Very high	97.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-40.1	176.9	0	0	0	0	0	112.5	F61 F112 F137 I166 F167 A168 F174	F61-A170 HydrophobicContact CE2-CB 3.61Å; F61-A170 HydrophobicContact CZ-CB 3.76Å; F112-A170 HydrophobicContact CD2-CB 3.95Å; F112-A170 HydrophobicContact CE2-CB 3.49Å; F112-A170 VanDerWaalsContact CE2-CB 3.49Å; F112-A170 HydrophobicContact CZ-CB 4.26Å; F137-A170 HydrophobicContact CZ-CB 4.47Å; I166-A170 WeakPolarHBondContact O-CB 3.32Å; I166-A170 PolarHBondContact O-N 3.16Å; I166-A170 VanDerWaalsContact O-N 3.15Å; F167-A170 PolarHBondContact O-N 2.99Å; A168-A170 VanDerWaalsContact C-N 3.33Å; A168-A170 PolarHBondContact O-N 3.09Å; A170-F174 WeakPolarHBondContact O-CD2 3.41Å; A170-F174 PolarHBondContact O-N 3.26Å
171	L	98.6	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-70.8	-36	175.4	-68.9	174.7	0	0	0	112.5	I59 F61 F167 A168 F174 K175 I199 A216 A217	I59-L171 HydrophobicContact CD1-CD2 4.12Å; F61-L171 HydrophobicContact CD2-CD2 3.9Å; F61-L171 HydrophobicContact CE2-CD2 4.12Å; F61-L171 HydrophobicContact CE2-CG 4.34Å; F167-L171 WeakPolarHBondContact O-CG 3.28Å; F167-L171 PolarHBondContact O-N 2.71Å; A168-L171 PolarHBondContact O-N 3.46Å; L171-F174 PolarHBondContact O-N 2.99Å; L171-K175 PolarHBondContact O-N 3.31Å; L171-I199 HydrophobicContact CD1-CD1 3.94Å; L171-I199 HydrophobicContact CD2-CD1 3.74Å; L171-I199 HydrophobicContact CD2-CG1 4.29Å; L171-A216 HydrophobicContact CD1-CB 3.89Å; L171-A217 HydrophobicContact CD1-CB 4.06Å
172	A	98.6	Very high	97.2	Very high	19 Å²	19	29.7 Å²	29.7	16%	0.157	14%	0.139	C	C	.	.	H	α-helix	trans	-62.5	-44.1	173.9	0	0	0	0	0	111.3	A168 Y169 F174 K175 E176	A168-A172 WeakPolarHBondContact O-CB 3.46Å; A168-A172 PolarHBondContact O-N 3.44Å; Y169-A172 PolarHBondContact O-N 3.05Å; A172-F174 PolarHBondContact O-N 3.29Å; A172-K175 VanDerWaalsContact O-CB 3.29Å; A172-K175 WeakPolarHBondContact O-CB 3.39Å; A172-K175 PolarHBondContact O-N 3.02Å; A172-K175 VanDerWaalsContact O-N 3.14Å; A172-E176 WeakPolarHBondContact O-CG 3.45Å; A172-E176 PolarHBondContact O-N 2.83Å
173	F	98.1	Very high	97.1	Very high	25 Å²	25	26.9 Å²	26.9	11%	0.11	13%	0.13	C	C	.	.	H	α-helix	trans	-55.9	-47.8	173.3	171.8	-97.2	0	0	0	112.1	W85 F109 F112 Y169 K175 E176 Q177	W85-F173 HydrophobicContact CZ3-CE1 4.29Å; F109-F173 HydrophobicContact CZ-CB 4.05Å; F109-F173 HydrophobicContact CZ-CD2 4.01Å; F109-F173 HydrophobicContact CZ-CG 4.33Å; F112-F173 HydrophobicContact CB-CB 4.29Å; F112-F173 HydrophobicContact CB-CD1 3.73Å; F112-F173 HydrophobicContact CB-CD2 3.93Å; F112-F173 HydrophobicContact CB-CE1 3.99Å; F112-F173 HydrophobicContact CB-CE2 4.16Å; F112-F173 HydrophobicContact CB-CG 3.7Å; F112-F173 HydrophobicContact CB-CZ 4.19Å; F112-F173 AromaticContact CD1-CD1 3.6Å; F112-F173 HydrophobicContact CD1-CD1 3.6Å; F112-F173 AromaticContact CD1-CE1 3.61Å; F112-F173 HydrophobicContact CD1-CE1 3.61Å; F112-F173 HydrophobicContact CD1-CG 4.42Å; F112-F173 HydrophobicContact CD1-CZ 4.43Å; F112-F173 HydrophobicContact CE1-CD1 4.46Å; F112-F173 AromaticContact CG-CD1 3.81Å; F112-F173 HydrophobicContact CG-CD1 3.81Å; F112-F173 HydrophobicContact CG-CE1 4.14Å; F112-F173 HydrophobicContact CG-CG 4.19Å; Y169-F173 PolarHBondContact O-N 3.13Å; F173-K175 VanDerWaalsContact C-N 3.34Å; F173-K175 PolarHBondContact O-N 2.92Å; F173-E176 PolarHBondContact O-N 3.13Å; F173-Q177 HydrophobicContact CD1-CG 4.47Å; F173-Q177 HydrophobicContact CD2-CG 4.31Å; F173-Q177 HydrophobicContact CE1-CG 4.11Å; F173-Q177 HydrophobicContact CE2-CG 3.93Å; F173-Q177 HydrophobicContact CZ-CG 3.83Å; F173-Q177 VanDerWaalsContact O-CG 3.25Å; F173-Q177 WeakPolarHBondContact O-CG 3.46Å; F173-Q177 PolarHBondContact O-N 2.93Å
174	F	97.9	Very high	96.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.2	-34.9	176.9	-74.1	-59.2	0	0	0	113.2	I59 F61 S66 Y68 W85 T97 F112 A170 L171 A172 A178	I59-F174 HydrophobicContact CD1-CB 3.65Å; I59-F174 HydrophobicContact CD1-CG 4.43Å; I59-F174 HydrophobicContact CG1-CB 4.05Å; I59-F174 HydrophobicContact CG2-CB 4.39Å; I59-F174 HydrophobicContact CG2-CD2 3.77Å; I59-F174 HydrophobicContact CG2-CE2 4.23Å; I59-F174 HydrophobicContact CG2-CG 4.04Å; F61-F174 HydrophobicContact CD2-CE2 4.44Å; S66-F174 VanDerWaalsContact CB-CZ 3.49Å; Y68-F174 AromaticContact CD1-CD1 3.93Å; Y68-F174 HydrophobicContact CD1-CD1 3.93Å; Y68-F174 HydrophobicContact CD1-CE1 4.47Å; W85-F174 AromaticContact CH2-CE1 3.89Å; W85-F174 HydrophobicContact CH2-CE1 3.89Å; W85-F174 AromaticContact CZ3-CE1 3.92Å; W85-F174 HydrophobicContact CZ3-CE1 3.92Å; T97-F174 HydrophobicContact CG2-CE1 4.37Å; T97-F174 HydrophobicContact CG2-CZ 4.25Å; F112-F174 HydrophobicContact CD1-CZ 4.27Å; F112-F174 AromaticContact CE1-CE2 3.8Å; F112-F174 HydrophobicContact CE1-CE2 3.8Å; F112-F174 AromaticContact CE1-CZ 3.57Å; F112-F174 HydrophobicContact CE1-CZ 3.57Å; F112-F174 AromaticContact CZ-CE2 3.97Å; F112-F174 HydrophobicContact CZ-CE2 3.97Å; F112-F174 HydrophobicContact CZ-CZ 4.17Å; A170-F174 WeakPolarHBondContact O-CD2 3.41Å; A170-F174 PolarHBondContact O-N 3.26Å; L171-F174 PolarHBondContact O-N 2.99Å; A172-F174 PolarHBondContact O-N 3.29Å; F174-A178 WeakPolarHBondContact O-CB 3.5Å; F174-A178 PolarHBondContact O-N 3.43Å
175	K	97.9	Very high	96.5	Very high	43 Å²	43	35.2 Å²	35.2	19%	0.187	17%	0.172	C	C	.	.	H	α-helix	trans	-57.1	-54.8	172.5	-171.7	-165.4	177.6	-176.5	0	111	L171 A172 F173 Q177 A178 L179 W197 A221 L222	L171-K175 PolarHBondContact O-N 3.31Å; A172-K175 VanDerWaalsContact O-CB 3.29Å; A172-K175 WeakPolarHBondContact O-CB 3.39Å; A172-K175 PolarHBondContact O-N 3.02Å; A172-K175 VanDerWaalsContact O-N 3.14Å; F173-K175 VanDerWaalsContact C-N 3.34Å; F173-K175 PolarHBondContact O-N 2.92Å; K175-Q177 PolarHBondContact O-N 2.9Å; K175-A178 PolarHBondContact O-N 2.95Å; K175-L179 HydrophobicContact CD-CD1 4.31Å; K175-L179 HydrophobicContact CG-CD1 3.79Å; K175-L179 HydrophobicContact CG-CG 4.38Å; K175-L179 WeakPolarHBondContact O-CB 3.47Å; K175-L179 WeakPolarHBondContact O-CG 3.29Å; K175-L179 PolarHBondContact O-N 2.83Å; K175-W197 HydrophobicContact CB-CH2 4.37Å; K175-W197 HydrophobicContact CB-CZ2 4.48Å; K175-W197 HydrophobicContact CG-CH2 4.27Å; K175-W197 HydrophobicContact CG-CZ2 3.93Å; K175-A221 WeakPolarHBondContact CE-O 3.43Å; K175-A221 PolarHBondContact NZ-O 2.95Å; K175-L222 HydrophobicContact CB-CD1 3.63Å; K175-L222 HydrophobicContact CD-CD1 4.5Å; K175-L222 HydrophobicContact CG-CD1 3.91Å
176	E	96.9	Very high	96.1	Very high	117 Å²	117	36.1 Å²	36.1	55%	0.547	18%	0.178	S	C	.	.	H	α-helix	trans	-61.4	-45.3	-176.9	-71.1	167.1	-167.3	0	0	111.6	A172 F173 K180	A172-E176 WeakPolarHBondContact O-CG 3.45Å; A172-E176 PolarHBondContact O-N 2.83Å; F173-E176 PolarHBondContact O-N 3.13Å; E176-K180 WeakPolarHBondContact O-CB 3.2Å; E176-K180 PolarHBondContact O-N 3.4Å
177	Q	95.4	Very high	95.8	Very high	37 Å²	37	39.6 Å²	39.6	17%	0.173	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-43.6	178.2	-67.5	-67.4	-40.5	0	0	112.5	Y68 F173 K175 E181	Y68-Q177 HydrophobicContact CE1-CB 3.88Å; Y68-Q177 PolarHBondContact OH-O 3.36Å; F173-Q177 HydrophobicContact CD1-CG 4.47Å; F173-Q177 HydrophobicContact CD2-CG 4.31Å; F173-Q177 HydrophobicContact CE1-CG 4.11Å; F173-Q177 HydrophobicContact CE2-CG 3.93Å; F173-Q177 HydrophobicContact CZ-CG 3.83Å; F173-Q177 VanDerWaalsContact O-CG 3.25Å; F173-Q177 WeakPolarHBondContact O-CG 3.46Å; F173-Q177 PolarHBondContact O-N 2.93Å; K175-Q177 PolarHBondContact O-N 2.9Å; Q177-E181 PolarHBondContact O-N 3.5Å
178	A	96.1	Very high	95.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-70.9	-44.9	179.9	0	0	0	0	0	112.5	V57 Y68 F174 K175 K180 E181 L182 W197	V57-A178 HydrophobicContact CG1-CB 3.92Å; Y68-A178 HydrophobicContact CD2-CB 3.71Å; Y68-A178 HydrophobicContact CE2-CB 3.59Å; Y68-A178 HydrophobicContact CG-CB 4.38Å; F174-A178 WeakPolarHBondContact O-CB 3.5Å; F174-A178 PolarHBondContact O-N 3.43Å; K175-A178 PolarHBondContact O-N 2.95Å; A178-K180 VanDerWaalsContact C-N 3.29Å; A178-K180 PolarHBondContact O-N 3.21Å; A178-E181 PolarHBondContact O-N 2.96Å; A178-L182 WeakPolarHBondContact O-CB 3.49Å; A178-L182 VanDerWaalsContact O-CG 3.27Å; A178-L182 WeakPolarHBondContact O-CG 3.48Å; A178-L182 PolarHBondContact O-N 2.89Å; A178-W197 HydrophobicContact CB-CH2 3.91Å; A178-W197 HydrophobicContact CB-CZ3 4.32Å
179	L	97.2	Very high	95.4	Very high	27 Å²	27	51.7 Å²	51.7	14%	0.141	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-34.7	176.5	-67.7	178	0	0	0	111.9	K175 S183 F190 N192 V195 W197	K175-L179 HydrophobicContact CD-CD1 4.31Å; K175-L179 HydrophobicContact CG-CD1 3.79Å; K175-L179 HydrophobicContact CG-CG 4.38Å; K175-L179 WeakPolarHBondContact O-CB 3.47Å; K175-L179 WeakPolarHBondContact O-CG 3.29Å; K175-L179 PolarHBondContact O-N 2.83Å; L179-S183 WeakPolarHBondContact O-CB 3.42Å; L179-S183 PolarHBondContact O-N 3.04Å; L179-S183 PolarHBondContact O-OG 3.45Å; L179-F190 HydrophobicContact CD2-CD1 4.22Å; L179-N192 HydrophobicContact CD1-CB 3.95Å; L179-N192 HydrophobicContact CD2-CB 4.27Å; L179-V195 HydrophobicContact CD2-CG2 3.93Å; L179-W197 HydrophobicContact CG-CZ2 4.49Å
180	K	95.1	Very high	95.3	Very high	115 Å²	115	49.4 Å²	49.4	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-53.3	173	-177.3	-179.1	176.1	-175.4	0	112.1	E176 A178 L182 S183 D184	E176-K180 WeakPolarHBondContact O-CB 3.2Å; E176-K180 PolarHBondContact O-N 3.4Å; A178-K180 VanDerWaalsContact C-N 3.29Å; A178-K180 PolarHBondContact O-N 3.21Å; K180-L182 VanDerWaalsContact C-N 3.27Å; K180-L182 PolarHBondContact O-N 3.47Å; K180-S183 PolarHBondContact O-N 3.4Å; K180-S183 VanDerWaalsContact O-N 3.08Å; K180-D184 WeakPolarHBondContact O-CB 3.45Å; K180-D184 VanDerWaalsContact O-CG 3.32Å; K180-D184 PolarHBondContact O-N 2.78Å
181	E	93.4	Very high	95.1	Very high	23 Å²	23	53.7 Å²	53.7	11%	0.107	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-32.8	179.4	179.1	78.2	-134.1	0	0	111.7	Y70 Q177 A178 Q185 R291	Y70-E181 HydrophobicContact CE1-CG 4.45Å; Q177-E181 PolarHBondContact O-N 3.5Å; A178-E181 PolarHBondContact O-N 2.96Å; E181-Q185 WeakPolarHBondContact O-CB 3.4Å; E181-Q185 VanDerWaalsContact O-CG 3.3Å; E181-Q185 WeakPolarHBondContact O-CG 3.3Å; E181-Q185 PolarHBondContact O-N 3.42Å; E181-Q185 PolarHBondContact OE1-NE2 2.82Å; E181-R291 IonicContact OE1-CZ 2.74Å; E181-R291 IonicContact OE1-NH1 3.24Å; E181-R291 PolarHBondContact OE1-NH1 2.93Å; E181-R291 IonicContact OE1-NH2 2.67Å; E181-R291 IonicContact OE2-CZ 3.53Å; E181-R291 IonicContact OE2-NH1 3.04Å; E181-R291 PolarHBondContact OE2-NH1 2.67Å; E181-R291 IonicContact OE2-NH2 3.84Å; E181-R291 PolarHBondContact OE2-NH2 2.81Å
182	L	95.1	Very high	95	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-44.6	170.4	-72.8	170.4	0	0	0	112	V55 V57 Y70 F72 A178 K180 Q185 T186 F190 V195	V55-L182 HydrophobicContact CG1-CD1 4.1Å; V55-L182 HydrophobicContact CG1-CD2 4.04Å; V55-L182 HydrophobicContact CG2-CD2 4.16Å; V57-L182 HydrophobicContact CG2-CD1 4.1Å; Y70-L182 HydrophobicContact CD2-CD2 3.68Å; Y70-L182 HydrophobicContact CE2-CD2 3.69Å; Y70-L182 HydrophobicContact CG-CD2 4.25Å; F72-L182 HydrophobicContact CE1-CD2 4.48Å; F72-L182 HydrophobicContact CZ-CD2 4Å; A178-L182 WeakPolarHBondContact O-CB 3.49Å; A178-L182 VanDerWaalsContact O-CG 3.27Å; A178-L182 WeakPolarHBondContact O-CG 3.48Å; A178-L182 PolarHBondContact O-N 2.89Å; K180-L182 VanDerWaalsContact C-N 3.27Å; K180-L182 PolarHBondContact O-N 3.47Å; L182-Q185 PolarHBondContact O-N 3.4Å; L182-T186 PolarHBondContact O-N 3.38Å; L182-T186 PolarHBondContact O-OG1 2.85Å; L182-F190 HydrophobicContact CB-CB 3.98Å; L182-F190 HydrophobicContact CB-CD1 4.35Å; L182-F190 HydrophobicContact CB-CD2 4.01Å; L182-F190 HydrophobicContact CB-CG 3.84Å; L182-F190 HydrophobicContact CD1-CD1 4.04Å; L182-F190 HydrophobicContact CD1-CE1 4.21Å; L182-F190 HydrophobicContact CD1-CG 4.36Å; L182-V195 HydrophobicContact CD1-CG2 4.29Å
183	S	95.4	Very high	94.9	Very high	23 Å²	23	56.9 Å²	56.9	16%	0.161	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-41.9	178.5	-56.2	0	0	0	0	112.1	L179 K180 Q185 T186 G187 S188 F190	L179-S183 WeakPolarHBondContact O-CB 3.42Å; L179-S183 PolarHBondContact O-N 3.04Å; L179-S183 PolarHBondContact O-OG 3.45Å; K180-S183 PolarHBondContact O-N 3.4Å; K180-S183 VanDerWaalsContact O-N 3.08Å; S183-Q185 PolarHBondContact O-N 2.76Å; S183-T186 PolarHBondContact O-N 3.48Å; S183-G187 PolarHBondContact O-N 3.08Å; S183-S188 WeakPolarHBondContact CA-O 3.27Å; S183-S188 WeakPolarHBondContact CB-O 3.47Å; S183-S188 PolarHBondContact O-N 3.35Å; S183-F190 PolarHBondContact OG-N 3.16Å
184	D	92.3	Very high	94.8	Very high	111 Å²	111	58.4 Å²	58.4	59%	0.594	32%	0.321	S	S	*	.	H	α-helix	trans	-61.8	-32.4	175.8	-72	-18.7	0	0	0	111.5	K180	K180-D184 WeakPolarHBondContact O-CB 3.45Å; K180-D184 VanDerWaalsContact O-CG 3.32Å; K180-D184 PolarHBondContact O-N 2.78Å
185	Q	88.4	Confident	94.7	Very high	81 Å²	81	58.4 Å²	58.4	38%	0.379	32%	0.321	S	S	.	.	H	α-helix	trans	-84.3	-33.1	177.9	-73.6	-179.4	23.2	0	0	114	Y70 E181 L182 S183	Y70-Q185 PolarHBondContact OH-NE2 3.17Å; Y70-Q185 PolarHBondContact OH-OE1 3.43Å; E181-Q185 WeakPolarHBondContact O-CB 3.4Å; E181-Q185 VanDerWaalsContact O-CG 3.3Å; E181-Q185 WeakPolarHBondContact O-CG 3.3Å; E181-Q185 PolarHBondContact O-N 3.42Å; E181-Q185 PolarHBondContact OE1-NE2 2.82Å; L182-Q185 PolarHBondContact O-N 3.4Å; S183-Q185 PolarHBondContact O-N 2.76Å
186	T	89.5	Confident	94.7	Very high	60 Å²	60	59.1 Å²	59.1	37%	0.368	32%	0.323	S	S	.	.	H	α-helix	trans	-84.4	-16.3	175.9	53.2	0	0	0	0	113.5	L182 S183 S188 F190	L182-T186 PolarHBondContact O-N 3.38Å; L182-T186 PolarHBondContact O-OG1 2.85Å; S183-T186 PolarHBondContact O-N 3.48Å; T186-S188 VanDerWaalsContact C-N 3.3Å; T186-S188 PolarHBondContact OG1-O 3.22Å; T186-F190 HydrophobicContact CG2-CD2 3.97Å; T186-F190 HydrophobicContact CG2-CE2 4.19Å
187	G	92.5	Very high	94.8	Very high	74 Å²	74	53.5 Å²	53.5	76%	0.763	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	13.8	-177.7	0	0	0	0	0	114.3	S183	S183-G187 PolarHBondContact O-N 3.08Å
188	S	93.3	Very high	94.9	Very high	74 Å²	74	51.8 Å²	51.8	52%	0.517	29%	0.289	S	S	.	.	S	Bend	trans	-154	157	-177.9	64	0	0	0	0	110	S183 T186 F190	S183-S188 WeakPolarHBondContact CA-O 3.27Å; S183-S188 WeakPolarHBondContact CB-O 3.47Å; S183-S188 PolarHBondContact O-N 3.35Å; T186-S188 VanDerWaalsContact C-N 3.3Å; T186-S188 PolarHBondContact OG1-O 3.22Å; S188-F190 PolarHBondContact O-N 3.28Å
189	E	94.9	Very high	95.1	Very high	184 Å²	184	51.8 Å²	51.8	86%	0.86	29%	0.289	S	S	*	.			trans	-55.2	125.5	175	-174.9	174.9	-169.1	0	0	111.4
190	F	95.8	Very high	95.1	Very high	25 Å²	25	50.5 Å²	50.5	11%	0.11	28%	0.282	C	S	.	.			trans	-92.2	112.8	-177.9	-161.3	-80	0	0	0	111	V55 F72 L179 L182 S183 T186 S188 N192 N194 V195	V55-F190 HydrophobicContact CB-CZ 4.26Å; V55-F190 HydrophobicContact CG2-CE1 4.27Å; V55-F190 HydrophobicContact CG2-CE2 4.12Å; V55-F190 HydrophobicContact CG2-CZ 3.53Å; F72-F190 HydrophobicContact CE1-CE2 4.45Å; L179-F190 HydrophobicContact CD2-CD1 4.22Å; L182-F190 HydrophobicContact CB-CB 3.98Å; L182-F190 HydrophobicContact CB-CD1 4.35Å; L182-F190 HydrophobicContact CB-CD2 4.01Å; L182-F190 HydrophobicContact CB-CG 3.84Å; L182-F190 HydrophobicContact CD1-CD1 4.04Å; L182-F190 HydrophobicContact CD1-CE1 4.21Å; L182-F190 HydrophobicContact CD1-CG 4.36Å; S183-F190 PolarHBondContact OG-N 3.16Å; T186-F190 HydrophobicContact CG2-CD2 3.97Å; T186-F190 HydrophobicContact CG2-CE2 4.19Å; S188-F190 PolarHBondContact O-N 3.28Å; F190-N192 PolarHBondContact O-N 2.89Å; F190-N194 HydrophobicContact CE1-CB 3.93Å; F190-N194 HydrophobicContact CZ-CB 4.16Å; F190-V195 HydrophobicContact CD1-CG2 4.04Å; F190-V195 HydrophobicContact CE1-CG2 3.64Å
191	D	95.3	Very high	95.1	Very high	89 Å²	89	45 Å²	45	48%	0.476	26%	0.258	S	S	.	.			trans	-68	122	178.8	173.5	16.1	0	0	0	111.7	S193 N194	D191-S193 VanDerWaalsContact CG-OG 3.24Å; D191-S193 PolarHBondContact O-N 2.84Å; D191-S193 VanDerWaalsContact O-N 3.12Å; D191-S193 WeakPolarHBondContact OD1-CB 3.48Å; D191-S193 PolarHBondContact OD1-N 2.84Å; D191-S193 PolarHBondContact OD1-OG 2.91Å; D191-S193 WeakPolarHBondContact OD2-CB 3.38Å; D191-S193 PolarHBondContact OD2-OG 2.68Å; D191-N194 WeakPolarHBondContact O-CB 3.46Å; D191-N194 PolarHBondContact O-N 3.03Å; D191-N194 VanDerWaalsContact O-N 3.08Å; D191-N194 PolarHBondContact O-ND2 3.43Å
192	N	96.8	Very high	95.1	Very high	25 Å²	25	44 Å²	44	13%	0.134	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-53.9	-27.7	176.1	-171.8	64	0	0	0	113.3	L179 F190 N194 V195 W197 L222 Q230	L179-N192 HydrophobicContact CD1-CB 3.95Å; L179-N192 HydrophobicContact CD2-CB 4.27Å; F190-N192 PolarHBondContact O-N 2.89Å; N192-N194 PolarHBondContact O-N 3.07Å; N192-V195 WeakPolarHBondContact O-CB 3.11Å; N192-V195 PolarHBondContact O-N 3.29Å; N192-W197 WeakPolarHBondContact OD1-CZ2 3.32Å; N192-W197 PolarHBondContact OD1-NE1 3.2Å; N192-L222 PolarHBondContact ND2-O 3.11Å; N192-Q230 PolarHBondContact O-NE2 3.23Å
193	S	95.1	Very high	94.8	Very high	62 Å²	62	44.4 Å²	44.4	43%	0.434	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-59.6	-27.5	178.1	84.3	0	0	0	0	113	D191 V195	D191-S193 VanDerWaalsContact CG-OG 3.24Å; D191-S193 PolarHBondContact O-N 2.84Å; D191-S193 VanDerWaalsContact O-N 3.12Å; D191-S193 WeakPolarHBondContact OD1-CB 3.48Å; D191-S193 PolarHBondContact OD1-N 2.84Å; D191-S193 PolarHBondContact OD1-OG 2.91Å; D191-S193 WeakPolarHBondContact OD2-CB 3.38Å; D191-S193 PolarHBondContact OD2-OG 2.68Å; S193-V195 VanDerWaalsContact C-N 3.3Å; S193-V195 PolarHBondContact O-N 2.97Å
194	N	95.5	Very high	94.5	Very high	56 Å²	56	44.8 Å²	44.8	30%	0.299	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-81.7	-5.1	178.3	-63.5	-68.7	0	0	0	113.7	F53 V54 V55 F190 D191 N192	F53-N194 CarbonylContact C-O 3.6Å; V54-N194 HydrophobicContact CB-CB 4.19Å; V54-N194 HydrophobicContact CG2-CB 4.04Å; V54-N194 PolarHBondContact N-O 2.89Å; V55-N194 PolarHBondContact N-O 2.88Å; F190-N194 HydrophobicContact CE1-CB 3.93Å; F190-N194 HydrophobicContact CZ-CB 4.16Å; D191-N194 WeakPolarHBondContact O-CB 3.46Å; D191-N194 PolarHBondContact O-N 3.03Å; D191-N194 VanDerWaalsContact O-N 3.08Å; D191-N194 PolarHBondContact O-ND2 3.43Å; N192-N194 PolarHBondContact O-N 3.07Å
195	V	97.4	Very high	94.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.6	-179.3	-178	0	0	0	0	110.8	V55 V57 L179 L182 F190 N192 S193 W197 Q230	V55-V195 WeakPolarHBondContact O-CA 3.3Å; V57-V195 HydrophobicContact CB-CG1 3.89Å; V57-V195 HydrophobicContact CG2-CG1 3.53Å; L179-V195 HydrophobicContact CD2-CG2 3.93Å; L182-V195 HydrophobicContact CD1-CG2 4.29Å; F190-V195 HydrophobicContact CD1-CG2 4.04Å; F190-V195 HydrophobicContact CE1-CG2 3.64Å; N192-V195 WeakPolarHBondContact O-CB 3.11Å; N192-V195 PolarHBondContact O-N 3.29Å; S193-V195 VanDerWaalsContact C-N 3.3Å; S193-V195 PolarHBondContact O-N 2.97Å; V195-W197 HydrophobicContact CB-CZ2 4.48Å; V195-W197 HydrophobicContact CG1-CD2 3.84Å; V195-W197 HydrophobicContact CG1-CE3 4.49Å; V195-W197 HydrophobicContact CG1-CG 4.09Å; V195-W197 HydrophobicContact CG1-CZ2 3.92Å; V195-Q230 WeakPolarHBondContact O-CG 3.45Å; V195-Q230 PolarHBondContact O-NE2 2.83Å
196	R	97.9	Very high	94.1	Very high	58 Å²	58	42.6 Å²	42.6	22%	0.219	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.8	157.7	178.5	176.3	-77.4	174.7	-0.9	108.7	F53 V55 V56 V57 I232 G523	F53-R196 HydrophobicContact CB-CB 3.85Å; F53-R196 HydrophobicContact CD1-CB 4.2Å; F53-R196 HydrophobicContact CD2-CB 3.74Å; F53-R196 HydrophobicContact CD2-CG 4.32Å; F53-R196 HydrophobicContact CE2-CB 4.3Å; F53-R196 HydrophobicContact CG-CB 3.66Å; V55-R196 PolarHBondContact O-N 2.91Å; V56-R196 CarbonylContact C-O 3.42Å; V56-R196 WeakPolarHBondContact CA-O 3.29Å; V56-R196 HydrophobicContact CG2-CB 4.29Å; V57-R196 PolarHBondContact N-O 3.02Å; R196-I232 HydrophobicContact CG-CD1 4.41Å; R196-G523 WeakPolarHBondContact CD-O 2.95Å; R196-G523 PolarHBondContact NH1-O 2.95Å
197	W	98.4	Very high	93.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	138.5	176.8	-68.9	97.7	0	0	0	110.9	V57 I59 K175 A178 L179 N192 V195 L222 V223 Q230 L231 I232	V57-W197 HydrophobicContact CB-CD2 4.46Å; V57-W197 HydrophobicContact CB-CE3 3.8Å; V57-W197 HydrophobicContact CB-CH2 4.23Å; V57-W197 HydrophobicContact CB-CZ3 3.69Å; V57-W197 HydrophobicContact CG1-CE3 3.86Å; V57-W197 HydrophobicContact CG1-CH2 4.03Å; V57-W197 HydrophobicContact CG1-CZ3 3.35Å; V57-W197 HydrophobicContact CG2-CH2 4.47Å; V57-W197 HydrophobicContact CG2-CZ3 4.4Å; V57-W197 CarbonylContact O-C 3.44Å; V57-W197 WeakPolarHBondContact O-CA 3.48Å; I59-W197 HydrophobicContact CD1-CE3 3.89Å; I59-W197 HydrophobicContact CD1-CZ3 3.84Å; I59-W197 HydrophobicContact CG1-CE3 4.27Å; I59-W197 HydrophobicContact CG1-CZ3 4.17Å; K175-W197 HydrophobicContact CB-CH2 4.37Å; K175-W197 HydrophobicContact CB-CZ2 4.48Å; K175-W197 HydrophobicContact CG-CH2 4.27Å; K175-W197 HydrophobicContact CG-CZ2 3.93Å; A178-W197 HydrophobicContact CB-CH2 3.91Å; A178-W197 HydrophobicContact CB-CZ3 4.32Å; L179-W197 HydrophobicContact CG-CZ2 4.49Å; N192-W197 WeakPolarHBondContact OD1-CZ2 3.32Å; N192-W197 PolarHBondContact OD1-NE1 3.2Å; V195-W197 HydrophobicContact CB-CZ2 4.48Å; V195-W197 HydrophobicContact CG1-CD2 3.84Å; V195-W197 HydrophobicContact CG1-CE3 4.49Å; V195-W197 HydrophobicContact CG1-CG 4.09Å; V195-W197 HydrophobicContact CG1-CZ2 3.92Å; W197-L222 HydrophobicContact CB-CD2 4.26Å; W197-L222 HydrophobicContact CB-CG 4.42Å; W197-L222 HydrophobicContact CD2-CD1 3.54Å; W197-L222 HydrophobicContact CD2-CD2 4.22Å; W197-L222 HydrophobicContact CD2-CG 3.77Å; W197-L222 HydrophobicContact CE3-CD1 3.65Å; W197-L222 HydrophobicContact CE3-CD2 4.36Å; W197-L222 HydrophobicContact CE3-CG 4.21Å; W197-L222 HydrophobicContact CG-CD1 4.17Å; W197-L222 HydrophobicContact CG-CD2 4.18Å; W197-L222 HydrophobicContact CG-CG 3.84Å; W197-L222 HydrophobicContact CH2-CD1 3.89Å; W197-L222 HydrophobicContact CZ2-CD1 3.79Å; W197-L222 HydrophobicContact CZ3-CD1 3.8Å; W197-L222 PolarHBondContact NE1-O 3.19Å; W197-V223 HydrophobicContact CB-CG1 4.26Å; W197-V223 HydrophobicContact CG-CG1 4.21Å; W197-Q230 PolarHBondContact N-O 2.98Å; W197-L231 HydrophobicContact CB-CD1 4.1Å; W197-L231 WeakPolarHBondContact O-CA 3.2Å; W197-I232 PolarHBondContact O-N 3.1Å
198	V	98.5	Very high	93.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.2	169.8	-170.8	0	0	0	0	108.5	V56 V57 A58 I59 I232 A234 A519	V56-V198 HydrophobicContact CG1-CG2 3.95Å; V57-V198 PolarHBondContact O-N 2.87Å; A58-V198 CarbonylContact C-O 3.1Å; A58-V198 WeakPolarHBondContact CA-O 3.39Å; A58-V198 HydrophobicContact CB-CB 4.03Å; I59-V198 PolarHBondContact N-O 3.3Å; V198-I232 WeakPolarHBondContact CA-O 3.48Å; V198-I232 HydrophobicContact CG2-CB 4.39Å; V198-A234 HydrophobicContact CG1-CB 3.58Å; V198-A519 HydrophobicContact CG1-CB 4.11Å
199	I	98.4	Very high	93.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.5	171.5	-65.9	173.1	0	0	0	108.4	L171 M213 A217 L222 L231 I232 I233 A234	L171-I199 HydrophobicContact CD1-CD1 3.94Å; L171-I199 HydrophobicContact CD2-CD1 3.74Å; L171-I199 HydrophobicContact CD2-CG1 4.29Å; I199-M213 HydrophobicContact CG2-CE 3.77Å; I199-A217 HydrophobicContact CD1-CB 4.04Å; I199-L222 HydrophobicContact CD1-CD2 3.8Å; I199-L222 HydrophobicContact CG1-CD2 4.34Å; I199-L231 HydrophobicContact CB-CD1 4.18Å; I199-L231 HydrophobicContact CD1-CD1 3.72Å; I199-L231 HydrophobicContact CD1-CD2 4.27Å; I199-L231 HydrophobicContact CG1-CD1 3.71Å; I199-I232 PolarHBondContact N-O 3.25Å; I199-I233 HydrophobicContact CB-CD1 4.12Å; I199-I233 WeakPolarHBondContact O-CA 3.46Å; I199-A234 PolarHBondContact O-N 3.27Å
200	T	97.4	Very high	93.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	141.4	175.2	68.4	0	0	0	0	111.7	I59 D60 F61 A234 I515 A519	I59-T200 PolarHBondContact O-N 3.45Å; I59-T200 VanDerWaalsContact O-N 3.12Å; D60-T200 VanDerWaalsContact CA-OG1 3.27Å; D60-T200 WeakPolarHBondContact CA-OG1 3.43Å; D60-T200 HydrophobicContact CB-CG2 4.4Å; D60-T200 PolarHBondContact OD1-OG1 3.47Å; F61-T200 PolarHBondContact N-OG1 3.04Å; T200-A234 CarbonylContact C-O 3.43Å; T200-A234 WeakPolarHBondContact CA-O 3.29Å; T200-I515 HydrophobicContact CG2-CG2 3.84Å; T200-A519 HydrophobicContact CG2-CB 3.6Å
201	V	95.6	Very high	93	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152.1	172.6	-60.9	0	0	0	0	111.1	W205 K210 M213 I233 A234 L235 E236	V201-W205 HydrophobicContact CB-CE3 3.92Å; V201-W205 HydrophobicContact CB-CZ3 4.25Å; V201-W205 HydrophobicContact CG1-CE3 4.06Å; V201-W205 HydrophobicContact CG1-CZ3 3.99Å; V201-K210 HydrophobicContact CG2-CD 4.45Å; V201-K210 HydrophobicContact CG2-CG 4.18Å; V201-M213 HydrophobicContact CG1-CB 4.47Å; V201-M213 HydrophobicContact CG1-CG 3.94Å; V201-I233 HydrophobicContact CB-CG2 4.38Å; V201-I233 HydrophobicContact CG1-CG2 4.01Å; V201-I233 HydrophobicContact CG2-CG2 3.45Å; V201-I233 VanDerWaalsContact CG2-CG2 3.45Å; V201-A234 PolarHBondContact N-O 3.15Å; V201-L235 HydrophobicContact CG2-CD2 3.82Å; V201-L235 WeakPolarHBondContact O-CA 3.46Å; V201-E236 VanDerWaalsContact CA-OE1 3.24Å; V201-E236 WeakPolarHBondContact CA-OE1 3.13Å; V201-E236 PolarHBondContact N-OE1 3.41Å; V201-E236 WeakPolarHBondContact O-CG 3.42Å; V201-E236 PolarHBondContact O-N 2.95Å
202	P	93.9	Very high	93	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	11%	0.11	C	C	.	.			trans	-59	142.2	174.1	-24.7	36.5	0	0	0	110.8	I204 W205 E236 D323	P202-I204 VanDerWaalsContact C-N 3.3Å; P202-I204 HydrophobicContact CB-CG1 4.34Å; P202-I204 PolarHBondContact O-N 3.2Å; P202-W205 HydrophobicContact CB-CG 4.12Å; P202-W205 HydrophobicContact CG-CD2 4.16Å; P202-W205 HydrophobicContact CG-CG 4.26Å; P202-W205 HydrophobicContact CG-CZ2 4.16Å; P202-W205 WeakPolarHBondContact O-CB 3.19Å; P202-W205 PolarHBondContact O-N 3.08Å; P202-E236 WeakPolarHBondContact CD-OE1 3.46Å; P202-D323 WeakPolarHBondContact CA-OD1 3.18Å; P202-D323 VanDerWaalsContact CB-OD1 3.31Å; P202-D323 WeakPolarHBondContact CB-OD1 3.46Å
203	A	89.3	Confident	93	Very high	9 Å²	9	20.5 Å²	20.5	7%	0.074	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-34	-179.1	0	0	0	0	0	111.6	W205 L235 P237 D323 T325 A342	A203-W205 PolarHBondContact O-N 3.12Å; A203-W205 VanDerWaalsContact O-N 3.12Å; A203-L235 HydrophobicContact CB-CB 4.17Å; A203-L235 HydrophobicContact CB-CD1 4.12Å; A203-P237 HydrophobicContact CB-CG 3.6Å; A203-D323 PolarHBondContact N-OD1 2.79Å; A203-T325 HydrophobicContact CB-CG2 4.43Å; A203-A342 HydrophobicContact CB-CB 3.47Å; A203-A342 VanDerWaalsContact CB-CB 3.47Å
204	I	88.6	Confident	93	Very high	32 Å²	32	18.6 Å²	18.6	16%	0.164	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-0.4	176.9	71.3	-178.2	0	0	0	114.4	P202 K206 T321 D323 S343	P202-I204 VanDerWaalsContact C-N 3.3Å; P202-I204 HydrophobicContact CB-CG1 4.34Å; P202-I204 PolarHBondContact O-N 3.2Å; I204-K206 PolarHBondContact O-N 2.78Å; I204-T321 HydrophobicContact CD1-CG2 3.94Å; I204-D323 WeakPolarHBondContact CG1-OD1 3.25Å; I204-D323 WeakPolarHBondContact CG2-OD1 3.47Å; I204-D323 PolarHBondContact N-OD1 2.84Å; I204-S343 WeakPolarHBondContact CG2-O 3.42Å
205	W	88	Confident	93	Very high	8 Å²	8	17.2 Å²	17.2	3%	0.03	8%	0.079	C	C	.	.			trans	-72.1	129.3	179.8	-85.8	19.8	0	0	0	113.1	K138 L141 H142 V201 P202 A203 A209 K210 M213	K138-W205 HydrophobicContact CD-CH2 4.18Å; K138-W205 HydrophobicContact CD-CZ2 4.17Å; K138-W205 HydrophobicContact CG-CH2 3.65Å; K138-W205 HydrophobicContact CG-CZ2 3.69Å; L141-W205 HydrophobicContact CB-CH2 3.89Å; L141-W205 HydrophobicContact CB-CZ2 4.04Å; L141-W205 HydrophobicContact CB-CZ3 4.25Å; L141-W205 HydrophobicContact CD1-CH2 3.69Å; L141-W205 HydrophobicContact CD1-CZ3 3.79Å; L141-W205 HydrophobicContact CG-CH2 4.21Å; H142-W205 AromaticContact ND1-CD1 3.94Å; V201-W205 HydrophobicContact CB-CE3 3.92Å; V201-W205 HydrophobicContact CB-CZ3 4.25Å; V201-W205 HydrophobicContact CG1-CE3 4.06Å; V201-W205 HydrophobicContact CG1-CZ3 3.99Å; P202-W205 HydrophobicContact CB-CG 4.12Å; P202-W205 HydrophobicContact CG-CD2 4.16Å; P202-W205 HydrophobicContact CG-CG 4.26Å; P202-W205 HydrophobicContact CG-CZ2 4.16Å; P202-W205 WeakPolarHBondContact O-CB 3.19Å; P202-W205 PolarHBondContact O-N 3.08Å; A203-W205 PolarHBondContact O-N 3.12Å; A203-W205 VanDerWaalsContact O-N 3.12Å; W205-A209 HydrophobicContact CB-CB 4.18Å; W205-A209 HydrophobicContact CD2-CB 3.77Å; W205-A209 HydrophobicContact CE3-CB 3.56Å; W205-A209 HydrophobicContact CG-CB 4.09Å; W205-A209 HydrophobicContact CZ3-CB 4.23Å; W205-K210 HydrophobicContact CB-CG 4.32Å; W205-K210 VanDerWaalsContact O-CE 3.23Å; W205-K210 WeakPolarHBondContact O-CE 3.15Å; W205-M213 HydrophobicContact CZ3-CG 3.81Å; W205-M213 HydrophobicContact CZ3-SD 4.31Å
206	K	84.4	Confident	93	Very high	138 Å²	138	17.2 Å²	17.2	60%	0.6	8%	0.079	S	C	*	.			trans	-61.8	150	169.9	-57.1	-173.1	178.2	-170.3	0	109.9	I204 P208 A209 K210	I204-K206 PolarHBondContact O-N 2.78Å; K206-P208 VanDerWaalsContact C-N 3.35Å; K206-A209 WeakPolarHBondContact O-CB 3.22Å; K206-A209 PolarHBondContact O-N 3.08Å; K206-K210 PolarHBondContact O-N 3.32Å
207	M	82.7	Confident	93	Very high	20 Å²	20	14.4 Å²	14.4	10%	0.099	7%	0.068	C	C	.	.	H	α-helix	trans	-50.5	-39	-179.3	-61.2	-61.7	137	0	0	115.7	A209 K210 Q211 P535 F671	M207-A209 VanDerWaalsContact C-N 3.26Å; M207-A209 PolarHBondContact O-N 3.09Å; M207-K210 HydrophobicContact CE-CD 4.23Å; M207-K210 PolarHBondContact O-N 2.94Å; M207-K210 VanDerWaalsContact O-N 3.15Å; M207-K210 HydrophobicContact SD-CD 4.22Å; M207-Q211 PolarHBondContact O-N 2.97Å; M207-P535 HydrophobicContact CE-CG 4.14Å; M207-F671 HydrophobicContact CB-CD1 3.62Å; M207-F671 HydrophobicContact CB-CD2 3.68Å; M207-F671 HydrophobicContact CB-CE1 3.48Å; M207-F671 VanDerWaalsContact CB-CE1 3.48Å; M207-F671 HydrophobicContact CB-CE2 3.56Å; M207-F671 HydrophobicContact CB-CG 3.71Å; M207-F671 HydrophobicContact CB-CZ 3.44Å; M207-F671 VanDerWaalsContact CB-CZ 3.44Å; M207-F671 HydrophobicContact CG-CD1 4.47Å; M207-F671 HydrophobicContact CG-CE1 3.87Å; M207-F671 HydrophobicContact CG-CE2 4.15Å; M207-F671 HydrophobicContact CG-CZ 3.68Å
208	P	86.6	Confident	93	Very high	15 Å²	15	16.3 Å²	16.3	10%	0.097	8%	0.075	C	C	.	.	H	α-helix	trans	-51.9	-41.5	172	-22	26.1	0	0	0	113.7	L147 K206 F212 F671 L672	L147-P208 HydrophobicContact CB-CB 4.33Å; L147-P208 HydrophobicContact CD2-CB 4.26Å; K206-P208 VanDerWaalsContact C-N 3.35Å; P208-F212 VanDerWaalsContact O-CB 3.29Å; P208-F212 WeakPolarHBondContact O-CB 3.38Å; P208-F212 PolarHBondContact O-N 3.03Å; P208-F671 HydrophobicContact CB-CB 4.15Å; P208-F671 HydrophobicContact CG-CB 3.82Å; P208-L672 HydrophobicContact CB-CD2 4.05Å; P208-L672 WeakPolarHBondContact O-CD2 3.47Å
209	A	91.4	Very high	92.9	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.025	10%	0.099	C	C	.	.	H	α-helix	trans	-71.6	-33.5	-178.2	0	0	0	0	0	112.5	L141 L147 W205 K206 M207 F212 M213	L141-A209 HydrophobicContact CB-CB 3.92Å; L147-A209 HydrophobicContact CD2-CB 4.06Å; W205-A209 HydrophobicContact CB-CB 4.18Å; W205-A209 HydrophobicContact CD2-CB 3.77Å; W205-A209 HydrophobicContact CE3-CB 3.56Å; W205-A209 HydrophobicContact CG-CB 4.09Å; W205-A209 HydrophobicContact CZ3-CB 4.23Å; K206-A209 WeakPolarHBondContact O-CB 3.22Å; K206-A209 PolarHBondContact O-N 3.08Å; M207-A209 VanDerWaalsContact C-N 3.26Å; M207-A209 PolarHBondContact O-N 3.09Å; A209-F212 PolarHBondContact O-N 3Å; A209-M213 PolarHBondContact O-N 3.4Å
210	K	91.3	Very high	92.9	Very high	12 Å²	12	22.4 Å²	22.4	5%	0.052	10%	0.104	C	C	.	.	H	α-helix	trans	-67.9	-48.2	174	-60.3	-174.9	175.7	170.4	0	110.6	V201 W205 K206 M207 F212 M213 R214 T650	V201-K210 HydrophobicContact CG2-CD 4.45Å; V201-K210 HydrophobicContact CG2-CG 4.18Å; W205-K210 HydrophobicContact CB-CG 4.32Å; W205-K210 VanDerWaalsContact O-CE 3.23Å; W205-K210 WeakPolarHBondContact O-CE 3.15Å; K206-K210 PolarHBondContact O-N 3.32Å; M207-K210 HydrophobicContact CE-CD 4.23Å; M207-K210 PolarHBondContact O-N 2.94Å; M207-K210 VanDerWaalsContact O-N 3.15Å; M207-K210 HydrophobicContact SD-CD 4.22Å; K210-F212 VanDerWaalsContact C-N 3.3Å; K210-F212 PolarHBondContact O-N 2.99Å; K210-M213 PolarHBondContact O-N 3.41Å; K210-R214 PolarHBondContact O-N 3.26Å; K210-T650 HydrophobicContact CD-CG2 4.4Å
211	Q	90.5	Very high	92.9	Very high	16 Å²	16	25.1 Å²	25.1	8%	0.075	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-38.4	173.8	-171.6	-168.7	-12.3	0	0	111.8	M207 M213 R214 E215 D670 L672	M207-Q211 PolarHBondContact O-N 2.97Å; Q211-M213 VanDerWaalsContact C-N 3.3Å; Q211-M213 PolarHBondContact O-N 2.88Å; Q211-R214 CarbonylContact O-C 3.58Å; Q211-R214 WeakPolarHBondContact O-CA 3.1Å; Q211-R214 WeakPolarHBondContact O-CB 3.42Å; Q211-R214 PolarHBondContact O-N 3.28Å; Q211-R214 VanDerWaalsContact O-N 3.08Å; Q211-E215 HydrophobicContact CG-CG 4.37Å; Q211-E215 WeakPolarHBondContact O-CG 3.4Å; Q211-E215 PolarHBondContact O-N 2.73Å; Q211-D670 PolarHBondContact NE2-OD1 3.38Å; Q211-L672 HydrophobicContact CB-CD1 4.22Å; Q211-L672 HydrophobicContact CB-CG 4.46Å; Q211-L672 HydrophobicContact CG-CD1 3.91Å; Q211-L672 HydrophobicContact CG-CG 4.36Å
212	F	95.1	Very high	93	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-39.4	178.1	-169.4	-78.6	0	0	0	112.3	L141 L147 A163 L164 F167 P208 A209 K210 E215 A216 L672	L141-F212 HydrophobicContact CD1-CB 4.39Å; L141-F212 HydrophobicContact CD1-CD1 3.61Å; L141-F212 HydrophobicContact CD1-CE1 4.24Å; L141-F212 HydrophobicContact CD1-CG 4.23Å; L141-F212 HydrophobicContact CD2-CD1 3.52Å; L141-F212 HydrophobicContact CD2-CD2 4.23Å; L141-F212 HydrophobicContact CD2-CE1 3.63Å; L141-F212 HydrophobicContact CD2-CE2 4.3Å; L141-F212 HydrophobicContact CD2-CG 3.84Å; L141-F212 HydrophobicContact CD2-CZ 4.02Å; L141-F212 HydrophobicContact CG-CD1 4.25Å; L147-F212 HydrophobicContact CD1-CD2 4.11Å; L147-F212 HydrophobicContact CD1-CE2 4.26Å; L147-F212 HydrophobicContact CD2-CB 3.97Å; L147-F212 HydrophobicContact CD2-CD2 4.12Å; L147-F212 HydrophobicContact CD2-CG 4.21Å; L147-F212 HydrophobicContact CG-CD2 4.06Å; A163-F212 HydrophobicContact CB-CE1 4.41Å; A163-F212 HydrophobicContact CB-CE2 4.46Å; A163-F212 HydrophobicContact CB-CZ 3.66Å; L164-F212 HydrophobicContact CB-CE2 4.44Å; L164-F212 HydrophobicContact CB-CZ 3.95Å; L164-F212 HydrophobicContact CD1-CE1 4.13Å; L164-F212 HydrophobicContact CD1-CE2 4.35Å; L164-F212 HydrophobicContact CD1-CZ 4.03Å; F167-F212 HydrophobicContact CB-CE1 4.35Å; F167-F212 AromaticContact CD2-CE1 3.75Å; F167-F212 HydrophobicContact CD2-CE1 3.75Å; F167-F212 HydrophobicContact CE2-CE1 4.15Å; F167-F212 HydrophobicContact CG-CE1 4.07Å; P208-F212 VanDerWaalsContact O-CB 3.29Å; P208-F212 WeakPolarHBondContact O-CB 3.38Å; P208-F212 PolarHBondContact O-N 3.03Å; A209-F212 PolarHBondContact O-N 3Å; K210-F212 VanDerWaalsContact C-N 3.3Å; K210-F212 PolarHBondContact O-N 2.99Å; F212-E215 PolarHBondContact O-N 3.29Å; F212-A216 WeakPolarHBondContact O-CB 3.42Å; F212-A216 PolarHBondContact O-N 2.96Å; F212-L672 HydrophobicContact CB-CD1 4.25Å; F212-L672 HydrophobicContact CB-CD2 4.3Å; F212-L672 HydrophobicContact CD2-CD1 4.44Å; F212-L672 HydrophobicContact CD2-CD2 4.15Å
213	M	96.4	Very high	93.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.3	-39.2	174.2	-68.1	-58.9	-62	0	0	112.1	F61 L141 F167 I199 V201 W205 A209 K210 Q211 A216 A217	F61-M213 HydrophobicContact CB-CE 4.32Å; F61-M213 HydrophobicContact CD1-CE 3.95Å; F61-M213 HydrophobicContact CD2-CE 4.29Å; F61-M213 HydrophobicContact CE1-CE 4.37Å; F61-M213 HydrophobicContact CG-CE 3.92Å; L141-M213 HydrophobicContact CD1-CG 4.28Å; L141-M213 HydrophobicContact CD1-SD 3.82Å; F167-M213 HydrophobicContact CD1-CE 4.1Å; F167-M213 HydrophobicContact CD1-SD 3.45Å; F167-M213 WeakPolarHBondContact CD1-SD 3.48Å; F167-M213 HydrophobicContact CE1-SD 3.69Å; F167-M213 HydrophobicContact CG-SD 4.48Å; I199-M213 HydrophobicContact CG2-CE 3.77Å; V201-M213 HydrophobicContact CG1-CB 4.47Å; V201-M213 HydrophobicContact CG1-CG 3.94Å; W205-M213 HydrophobicContact CZ3-CG 3.81Å; W205-M213 HydrophobicContact CZ3-SD 4.31Å; A209-M213 PolarHBondContact O-N 3.4Å; K210-M213 PolarHBondContact O-N 3.41Å; Q211-M213 VanDerWaalsContact C-N 3.3Å; Q211-M213 PolarHBondContact O-N 2.88Å; M213-A216 PolarHBondContact O-N 2.85Å; M213-A217 WeakPolarHBondContact O-CB 3.18Å; M213-A217 PolarHBondContact O-N 3.33Å
214	R	94.9	Very high	93.3	Very high	22 Å²	22	27.2 Å²	27.2	8%	0.083	14%	0.14	C	C	.	.	H	α-helix	trans	-65.9	-40.6	174.5	178	171.8	-69.6	-79.2	0.8	112.1	K210 Q211 A217 Y218 P228 L231 E651	K210-R214 PolarHBondContact O-N 3.26Å; Q211-R214 CarbonylContact O-C 3.58Å; Q211-R214 WeakPolarHBondContact O-CA 3.1Å; Q211-R214 WeakPolarHBondContact O-CB 3.42Å; Q211-R214 PolarHBondContact O-N 3.28Å; Q211-R214 VanDerWaalsContact O-N 3.08Å; R214-A217 WeakPolarHBondContact O-CB 3.44Å; R214-A217 PolarHBondContact O-N 2.84Å; R214-Y218 HydrophobicContact CG-CD2 4.17Å; R214-Y218 HydrophobicContact CG-CE2 3.48Å; R214-Y218 VanDerWaalsContact CG-CE2 3.48Å; R214-Y218 PolarHBondContact NH1-OH 2.96Å; R214-Y218 VanDerWaalsContact O-CD2 3.28Å; R214-Y218 WeakPolarHBondContact O-CD2 3.44Å; R214-Y218 PolarHBondContact O-N 3.15Å; R214-P228 PolarHBondContact NH1-O 3.24Å; R214-L231 HydrophobicContact CB-CD2 4.33Å; R214-L231 HydrophobicContact CG-CD2 4.26Å; R214-L231 PolarHBondContact NH1-O 3.4Å; R214-L231 PolarHBondContact NH2-O 2.62Å; R214-E651 WeakPolarHBondContact CD-OE1 3.41Å; R214-E651 IonicContact CZ-OE1 2.57Å; R214-E651 IonicContact CZ-OE2 2.73Å; R214-E651 VanDerWaalsContact CZ-OE2 3.23Å; R214-E651 VanDerWaalsContact NE-CD 3.31Å; R214-E651 IonicContact NE-OE1 3.66Å; R214-E651 PolarHBondContact NE-OE1 3.1Å; R214-E651 IonicContact NE-OE2 2.67Å; R214-E651 PolarHBondContact NE-OE2 2.87Å; R214-E651 IonicContact NH2-OE2 2.83Å; R214-E651 PolarHBondContact NH2-OE2 2.8Å
215	E	95.6	Very high	93.4	Very high	27 Å²	27	32.5 Å²	32.5	13%	0.126	16%	0.158	C	C	.	.	H	α-helix	trans	-64.2	-38.7	173	-71.4	-61.5	122.8	0	0	112.4	L164 Q211 F212 A217 Y218 K219 R225 L672	L164-E215 HydrophobicContact CD1-CB 4.03Å; Q211-E215 HydrophobicContact CG-CG 4.37Å; Q211-E215 WeakPolarHBondContact O-CG 3.4Å; Q211-E215 PolarHBondContact O-N 2.73Å; F212-E215 PolarHBondContact O-N 3.29Å; E215-A217 VanDerWaalsContact C-N 3.34Å; E215-Y218 PolarHBondContact O-N 2.9Å; E215-K219 WeakPolarHBondContact O-CB 3.36Å; E215-K219 PolarHBondContact O-N 2.92Å; E215-R225 IonicContact OE1-CZ 2.68Å; E215-R225 IonicContact OE1-NH1 2.67Å; E215-R225 PolarHBondContact OE1-NH1 2.99Å; E215-R225 IonicContact OE1-NH2 3.54Å; E215-R225 PolarHBondContact OE1-NH2 3.15Å; E215-R225 IonicContact OE2-CZ 2.72Å; E215-R225 IonicContact OE2-NH1 3.52Å; E215-R225 IonicContact OE2-NH2 2.61Å; E215-R225 PolarHBondContact OE2-NH2 3.37Å; E215-L672 HydrophobicContact CG-CD1 3.93Å
216	A	97.8	Very high	93.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-37.5	172.1	0	0	0	0	0	112.1	L164 F167 L171 F212 M213 K219 S220	L164-A216 HydrophobicContact CD1-CB 4.06Å; F167-A216 HydrophobicContact CB-CB 3.64Å; L171-A216 HydrophobicContact CD1-CB 3.89Å; F212-A216 WeakPolarHBondContact O-CB 3.42Å; F212-A216 PolarHBondContact O-N 2.96Å; M213-A216 PolarHBondContact O-N 2.85Å; A216-K219 PolarHBondContact O-N 3.38Å; A216-S220 WeakPolarHBondContact O-CB 3.4Å; A216-S220 PolarHBondContact O-N 2.68Å; A216-S220 PolarHBondContact O-OG 2.79Å; A216-S220 VanDerWaalsContact O-OG 3.1Å
217	A	98.2	Very high	93.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.4	-35.9	176.2	0	0	0	0	0	113.2	L171 I199 M213 R214 E215 S220 A221 L222 V223 L231	L171-A217 HydrophobicContact CD1-CB 4.06Å; I199-A217 HydrophobicContact CD1-CB 4.04Å; M213-A217 WeakPolarHBondContact O-CB 3.18Å; M213-A217 PolarHBondContact O-N 3.33Å; R214-A217 WeakPolarHBondContact O-CB 3.44Å; R214-A217 PolarHBondContact O-N 2.84Å; E215-A217 VanDerWaalsContact C-N 3.34Å; A217-S220 WeakPolarHBondContact CA-OG 3.48Å; A217-S220 PolarHBondContact O-OG 3.06Å; A217-S220 VanDerWaalsContact O-OG 3.05Å; A217-A221 PolarHBondContact O-N 2.8Å; A217-L222 HydrophobicContact CB-CB 4.24Å; A217-L222 HydrophobicContact CB-CD2 4.02Å; A217-L222 WeakPolarHBondContact O-CB 3.49Å; A217-L222 PolarHBondContact O-N 3.3Å; A217-V223 HydrophobicContact CB-CG2 4.23Å; A217-L231 HydrophobicContact CB-CD2 3.55Å
218	Y	97.5	Very high	93.9	Very high	39 Å²	39	37.6 Å²	37.6	15%	0.153	19%	0.189	C	C	.	.	H	α-helix	trans	-67	-43.1	169.1	-64.3	-43.6	0	0	0	111.3	R214 E215 S220 A221 V223 R225	R214-Y218 HydrophobicContact CG-CD2 4.17Å; R214-Y218 HydrophobicContact CG-CE2 3.48Å; R214-Y218 VanDerWaalsContact CG-CE2 3.48Å; R214-Y218 PolarHBondContact NH1-OH 2.96Å; R214-Y218 VanDerWaalsContact O-CD2 3.28Å; R214-Y218 WeakPolarHBondContact O-CD2 3.44Å; R214-Y218 PolarHBondContact O-N 3.15Å; E215-Y218 PolarHBondContact O-N 2.9Å; Y218-S220 VanDerWaalsContact C-N 3.33Å; Y218-S220 PolarHBondContact O-N 3.2Å; Y218-A221 PolarHBondContact O-N 3.31Å; Y218-A221 VanDerWaalsContact O-N 3.09Å; Y218-V223 HydrophobicContact CD1-CG2 3.82Å; Y218-V223 HydrophobicContact CE1-CG2 3.79Å; Y218-R225 HydrophobicContact CD1-CG 3.72Å; Y218-R225 HydrophobicContact CD2-CG 3.84Å; Y218-R225 VanDerWaalsContact CD2-NH1 3.29Å; Y218-R225 HydrophobicContact CE1-CB 4.41Å; Y218-R225 HydrophobicContact CE1-CG 3.95Å; Y218-R225 HydrophobicContact CE2-CG 4.01Å; Y218-R225 HydrophobicContact CG-CG 3.7Å
219	K	97.9	Very high	94	Very high	114 Å²	114	40.8 Å²	40.8	50%	0.496	20%	0.203	S	C	.	.	H	α-helix	trans	-66.8	-32.4	-179.3	-173.7	167.9	-168	166.7	0	113.4	L164 D165 A168 E215 A216 A221	L164-K219 HydrophobicContact CD2-CD 3.98Å; L164-K219 HydrophobicContact CG-CD 3.9Å; D165-K219 WeakPolarHBondContact OD1-CE 3.45Å; D165-K219 IonicContact OD1-NZ 3.17Å; D165-K219 PolarHBondContact OD1-NZ 2.78Å; A168-K219 HydrophobicContact CB-CB 3.9Å; A168-K219 HydrophobicContact CB-CD 4.16Å; A168-K219 HydrophobicContact CB-CG 3.83Å; E215-K219 WeakPolarHBondContact O-CB 3.36Å; E215-K219 PolarHBondContact O-N 2.92Å; A216-K219 PolarHBondContact O-N 3.38Å; K219-A221 PolarHBondContact O-N 3.23Å
220	S	97.8	Very high	94.2	Very high	15 Å²	15	41 Å²	41	11%	0.105	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-1.1	173.9	63.9	0	0	0	0	114	A168 A216 A217 Y218 L222	A168-S220 WeakPolarHBondContact O-CB 3.39Å; A216-S220 WeakPolarHBondContact O-CB 3.4Å; A216-S220 PolarHBondContact O-N 2.68Å; A216-S220 PolarHBondContact O-OG 2.79Å; A216-S220 VanDerWaalsContact O-OG 3.1Å; A217-S220 WeakPolarHBondContact CA-OG 3.48Å; A217-S220 PolarHBondContact O-OG 3.06Å; A217-S220 VanDerWaalsContact O-OG 3.05Å; Y218-S220 VanDerWaalsContact C-N 3.33Å; Y218-S220 PolarHBondContact O-N 3.2Å; S220-L222 PolarHBondContact O-N 2.97Å; S220-L222 VanDerWaalsContact O-N 3.16Å; S220-L222 WeakPolarHBondContact OG-CB 3.42Å; S220-L222 PolarHBondContact OG-N 3.46Å
221	A	97.3	Very high	94.4	Very high	56 Å²	56	40.6 Å²	40.6	46%	0.463	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	29.2	-169.2	0	0	0	0	0	113.4	K175 A217 Y218 K219 V223	K175-A221 WeakPolarHBondContact CE-O 3.43Å; K175-A221 PolarHBondContact NZ-O 2.95Å; A217-A221 PolarHBondContact O-N 2.8Å; Y218-A221 PolarHBondContact O-N 3.31Å; Y218-A221 VanDerWaalsContact O-N 3.09Å; K219-A221 PolarHBondContact O-N 3.23Å; A221-V223 VanDerWaalsContact C-N 3.26Å
222	L	97.6	Very high	94.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-59.2	-44.4	170.2	-170.3	74.1	0	0	0	109.6	I59 K175 N192 W197 I199 A217 S220	I59-L222 HydrophobicContact CD1-CD1 4.26Å; I59-L222 HydrophobicContact CD1-CD2 4.29Å; K175-L222 HydrophobicContact CB-CD1 3.63Å; K175-L222 HydrophobicContact CD-CD1 4.5Å; K175-L222 HydrophobicContact CG-CD1 3.91Å; N192-L222 PolarHBondContact ND2-O 3.11Å; W197-L222 HydrophobicContact CB-CD2 4.26Å; W197-L222 HydrophobicContact CB-CG 4.42Å; W197-L222 HydrophobicContact CD2-CD1 3.54Å; W197-L222 HydrophobicContact CD2-CD2 4.22Å; W197-L222 HydrophobicContact CD2-CG 3.77Å; W197-L222 HydrophobicContact CE3-CD1 3.65Å; W197-L222 HydrophobicContact CE3-CD2 4.36Å; W197-L222 HydrophobicContact CE3-CG 4.21Å; W197-L222 HydrophobicContact CG-CD1 4.17Å; W197-L222 HydrophobicContact CG-CD2 4.18Å; W197-L222 HydrophobicContact CG-CG 3.84Å; W197-L222 HydrophobicContact CH2-CD1 3.89Å; W197-L222 HydrophobicContact CZ2-CD1 3.79Å; W197-L222 HydrophobicContact CZ3-CD1 3.8Å; W197-L222 PolarHBondContact NE1-O 3.19Å; I199-L222 HydrophobicContact CD1-CD2 3.8Å; I199-L222 HydrophobicContact CG1-CD2 4.34Å; A217-L222 HydrophobicContact CB-CB 4.24Å; A217-L222 HydrophobicContact CB-CD2 4.02Å; A217-L222 WeakPolarHBondContact O-CB 3.49Å; A217-L222 PolarHBondContact O-N 3.3Å; S220-L222 PolarHBondContact O-N 2.97Å; S220-L222 VanDerWaalsContact O-N 3.16Å; S220-L222 WeakPolarHBondContact OG-CB 3.42Å; S220-L222 PolarHBondContact OG-N 3.46Å
223	V	96.6	Very high	94.6	Very high	5 Å²	5	41 Å²	41	3%	0.03	20%	0.204	C	C	.	.	S	Bend	trans	-137.4	157.2	176.1	-64.6	0	0	0	0	110.9	W197 A217 Y218 A221 Q230 L231	W197-V223 HydrophobicContact CB-CG1 4.26Å; W197-V223 HydrophobicContact CG-CG1 4.21Å; A217-V223 HydrophobicContact CB-CG2 4.23Å; Y218-V223 HydrophobicContact CD1-CG2 3.82Å; Y218-V223 HydrophobicContact CE1-CG2 3.79Å; A221-V223 VanDerWaalsContact C-N 3.26Å; V223-Q230 HydrophobicContact CB-CB 4.23Å; V223-Q230 HydrophobicContact CB-CG 4.48Å; V223-Q230 HydrophobicContact CG1-CB 3.75Å; V223-Q230 HydrophobicContact CG1-CG 3.66Å; V223-L231 HydrophobicContact CB-CB 4.36Å; V223-L231 HydrophobicContact CG1-CB 3.85Å; V223-L231 HydrophobicContact CG2-CB 3.81Å; V223-L231 HydrophobicContact CG2-CD2 4.1Å
224	S	93.4	Very high	94.5	Very high	49 Å²	49	41 Å²	41	34%	0.343	20%	0.204	S	C	.	.			trans	-90.7	149.1	173.6	-179.3	0	0	0	0	111.4	E226 N227	S224-E226 PolarHBondContact O-N 3.47Å; S224-E226 WeakPolarHBondContact OG-CB 3.33Å; S224-E226 PolarHBondContact OG-N 3.06Å; S224-E226 VanDerWaalsContact OG-N 3.12Å; S224-E226 PolarHBondContact OG-OE2 2.92Å; S224-N227 CarbonylContact O-C 3.57Å; S224-N227 VanDerWaalsContact O-C 3.31Å; S224-N227 PolarHBondContact O-N 3.48Å; S224-N227 VanDerWaalsContact O-N 3.14Å
225	R	90.1	Very high	94.5	Very high	143 Å²	143	40.7 Å²	40.7	54%	0.54	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.2	168	-66.9	-171.5	-171.3	-86.3	0	112.9	E215 Y218 N227	E215-R225 IonicContact OE1-CZ 2.68Å; E215-R225 IonicContact OE1-NH1 2.67Å; E215-R225 PolarHBondContact OE1-NH1 2.99Å; E215-R225 IonicContact OE1-NH2 3.54Å; E215-R225 PolarHBondContact OE1-NH2 3.15Å; E215-R225 IonicContact OE2-CZ 2.72Å; E215-R225 IonicContact OE2-NH1 3.52Å; E215-R225 IonicContact OE2-NH2 2.61Å; E215-R225 PolarHBondContact OE2-NH2 3.37Å; Y218-R225 HydrophobicContact CD1-CG 3.72Å; Y218-R225 HydrophobicContact CD2-CG 3.84Å; Y218-R225 VanDerWaalsContact CD2-NH1 3.29Å; Y218-R225 HydrophobicContact CE1-CB 4.41Å; Y218-R225 HydrophobicContact CE1-CG 3.95Å; Y218-R225 HydrophobicContact CE2-CG 4.01Å; Y218-R225 HydrophobicContact CG-CG 3.7Å; R225-N227 VanDerWaalsContact C-N 3.33Å
226	E	89	Confident	94.5	Very high	182 Å²	182	39.9 Å²	39.9	85%	0.85	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-21.9	176.5	-60.9	167.6	160.9	0	0	112.2	S224	S224-E226 PolarHBondContact O-N 3.47Å; S224-E226 WeakPolarHBondContact OG-CB 3.33Å; S224-E226 PolarHBondContact OG-N 3.06Å; S224-E226 VanDerWaalsContact OG-N 3.12Å; S224-E226 PolarHBondContact OG-OE2 2.92Å
227	N	89.8	Confident	94.2	Very high	45 Å²	45	39.9 Å²	39.9	24%	0.241	20%	0.201	C	C	.	.			trans	-128.5	67.3	176.3	-170.9	7.5	0	0	0	110.7	S224 R225 E229 Q230	S224-N227 CarbonylContact O-C 3.57Å; S224-N227 VanDerWaalsContact O-C 3.31Å; S224-N227 PolarHBondContact O-N 3.48Å; S224-N227 VanDerWaalsContact O-N 3.14Å; R225-N227 VanDerWaalsContact C-N 3.33Å; N227-E229 PolarHBondContact O-N 3.15Å; N227-Q230 HydrophobicContact CB-CB 4.49Å; N227-Q230 WeakPolarHBondContact O-CB 3.29Å; N227-Q230 PolarHBondContact O-N 2.93Å; N227-Q230 VanDerWaalsContact O-N 3.13Å
228	P	88.1	Confident	93.8	Very high	46 Å²	46	40.2 Å²	40.2	30%	0.299	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-66.3	-25.7	-174.4	28.5	-35.7	0	0	0	113.2	R214 Q230 L231	R214-P228 PolarHBondContact NH1-O 3.24Å; P228-Q230 PolarHBondContact O-N 2.86Å; P228-L231 PolarHBondContact O-N 2.85Å
229	E	88.2	Confident	93.6	Very high	82 Å²	82	38.4 Å²	38.4	38%	0.383	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-67.6	-12.8	175.9	-48.3	-51.6	143.5	0	0	113.3	N227 L231 R653	N227-E229 PolarHBondContact O-N 3.15Å; E229-L231 PolarHBondContact O-N 3.33Å; E229-R653 IonicContact OE1-CZ 2.71Å; E229-R653 IonicContact OE1-NH1 3.95Å; E229-R653 PolarHBondContact OE1-NH1 2.64Å; E229-R653 IonicContact OE1-NH2 2.81Å; E229-R653 IonicContact OE2-CZ 2.69Å; E229-R653 IonicContact OE2-NH1 3.71Å; E229-R653 PolarHBondContact OE2-NH1 3.23Å; E229-R653 IonicContact OE2-NH2 2.68Å; E229-R653 PolarHBondContact OE2-NH2 2.71Å
230	Q	95.1	Very high	93.4	Very high	8 Å²	8	33 Å²	33	4%	0.037	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-65.9	-26	174.3	-167	177.1	24.6	0	0	112.2	F53 N192 V195 W197 V223 N227 P228	F53-Q230 HydrophobicContact CE1-CB 4.22Å; F53-Q230 HydrophobicContact CE1-CG 3.81Å; F53-Q230 HydrophobicContact CZ-CB 4.15Å; F53-Q230 HydrophobicContact CZ-CG 4.21Å; N192-Q230 PolarHBondContact O-NE2 3.23Å; V195-Q230 WeakPolarHBondContact O-CG 3.45Å; V195-Q230 PolarHBondContact O-NE2 2.83Å; W197-Q230 PolarHBondContact N-O 2.98Å; V223-Q230 HydrophobicContact CB-CB 4.23Å; V223-Q230 HydrophobicContact CB-CG 4.48Å; V223-Q230 HydrophobicContact CG1-CB 3.75Å; V223-Q230 HydrophobicContact CG1-CG 3.66Å; N227-Q230 HydrophobicContact CB-CB 4.49Å; N227-Q230 WeakPolarHBondContact O-CB 3.29Å; N227-Q230 PolarHBondContact O-N 2.93Å; N227-Q230 VanDerWaalsContact O-N 3.13Å; P228-Q230 PolarHBondContact O-N 2.86Å
231	L	96.1	Very high	93	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.5	177.9	173	63.6	0	0	0	111.2	W197 I199 R214 A217 V223 P228 E229 I233	W197-L231 HydrophobicContact CB-CD1 4.1Å; W197-L231 WeakPolarHBondContact O-CA 3.2Å; I199-L231 HydrophobicContact CB-CD1 4.18Å; I199-L231 HydrophobicContact CD1-CD1 3.72Å; I199-L231 HydrophobicContact CD1-CD2 4.27Å; I199-L231 HydrophobicContact CG1-CD1 3.71Å; R214-L231 HydrophobicContact CB-CD2 4.33Å; R214-L231 HydrophobicContact CG-CD2 4.26Å; R214-L231 PolarHBondContact NH1-O 3.4Å; R214-L231 PolarHBondContact NH2-O 2.62Å; A217-L231 HydrophobicContact CB-CD2 3.55Å; V223-L231 HydrophobicContact CB-CB 4.36Å; V223-L231 HydrophobicContact CG1-CB 3.85Å; V223-L231 HydrophobicContact CG2-CB 3.81Å; V223-L231 HydrophobicContact CG2-CD2 4.1Å; P228-L231 PolarHBondContact O-N 2.85Å; E229-L231 PolarHBondContact O-N 3.33Å; L231-I233 HydrophobicContact CD1-CD1 4.24Å; L231-I233 HydrophobicContact CD2-CD1 4.04Å; L231-I233 HydrophobicContact CG-CD1 4.1Å
232	I	94.9	Very high	92.7	Very high	23 Å²	23	30 Å²	30	12%	0.118	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.5	166.9	-60.6	-176	0	0	0	109	R196 W197 V198 I199 F522 P526	R196-I232 HydrophobicContact CG-CD1 4.41Å; W197-I232 PolarHBondContact O-N 3.1Å; V198-I232 WeakPolarHBondContact CA-O 3.48Å; V198-I232 HydrophobicContact CG2-CB 4.39Å; I199-I232 PolarHBondContact N-O 3.25Å; I232-F522 HydrophobicContact CG2-CD1 3.97Å; I232-F522 HydrophobicContact CG2-CE1 3.54Å; I232-P526 HydrophobicContact CD1-CB 4.39Å; I232-P526 HydrophobicContact CD1-CG 3.6Å
233	I	94.9	Very high	92.3	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.8	165.3	-55.9	-57.7	0	0	0	107.6	I199 V201 L231 T650 E651	I199-I233 HydrophobicContact CB-CD1 4.12Å; I199-I233 WeakPolarHBondContact O-CA 3.46Å; V201-I233 HydrophobicContact CB-CG2 4.38Å; V201-I233 HydrophobicContact CG1-CG2 4.01Å; V201-I233 HydrophobicContact CG2-CG2 3.45Å; V201-I233 VanDerWaalsContact CG2-CG2 3.45Å; L231-I233 HydrophobicContact CD1-CD1 4.24Å; L231-I233 HydrophobicContact CD2-CD1 4.04Å; L231-I233 HydrophobicContact CG-CD1 4.1Å; I233-T650 HydrophobicContact CB-CG2 3.99Å; I233-T650 HydrophobicContact CG2-CG2 3.83Å; I233-T650 WeakPolarHBondContact O-CB 3.43Å; I233-T650 VanDerWaalsContact O-CG2 3.26Å; I233-T650 WeakPolarHBondContact O-CG2 3.43Å; I233-T650 PolarHBondContact O-OG1 2.88Å; I233-E651 WeakPolarHBondContact CG1-OE2 3.34Å
234	A	94.6	Very high	91.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141.4	179	0	0	0	0	0	110.4	V198 I199 T200 V201 F522	V198-A234 HydrophobicContact CG1-CB 3.58Å; I199-A234 PolarHBondContact O-N 3.27Å; T200-A234 CarbonylContact C-O 3.43Å; T200-A234 WeakPolarHBondContact CA-O 3.29Å; V201-A234 PolarHBondContact N-O 3.15Å; A234-F522 HydrophobicContact CB-CD1 3.66Å; A234-F522 HydrophobicContact CB-CE1 4.03Å
235	L	93.7	Very high	91.3	Very high	15 Å²	15	29.9 Å²	29.9	8%	0.079	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	132.2	172.8	-50.4	-174.4	0	0	0	109.8	V201 A203 E238 A239 T650	V201-L235 HydrophobicContact CG2-CD2 3.82Å; V201-L235 WeakPolarHBondContact O-CA 3.46Å; A203-L235 HydrophobicContact CB-CB 4.17Å; A203-L235 HydrophobicContact CB-CD1 4.12Å; L235-E238 HydrophobicContact CB-CB 4.14Å; L235-E238 HydrophobicContact CB-CG 3.97Å; L235-E238 VanDerWaalsContact CB-OE2 3.29Å; L235-E238 WeakPolarHBondContact CB-OE2 3.44Å; L235-E238 HydrophobicContact CD1-CG 4.45Å; L235-E238 VanDerWaalsContact CG-OE2 3.28Å; L235-E238 WeakPolarHBondContact CG-OE2 3.42Å; L235-E238 WeakPolarHBondContact O-CB 3.44Å; L235-E238 PolarHBondContact O-N 3.33Å; L235-E238 VanDerWaalsContact O-N 3.13Å; L235-A239 PolarHBondContact O-N 2.67Å; L235-T650 HydrophobicContact CD2-CG2 3.7Å; L235-T650 HydrophobicContact CG-CG2 4.27Å
236	E	95.3	Very high	90.9	Very high	11 Å²	11	25.9 Å²	25.9	5%	0.051	13%	0.125	C	C	.	.	H	α-helix	trans	-51.4	-51.4	-176.7	-73.6	163.3	-159.1	0	0	113.8	K138 V201 P202 E238 A239 A240 D316 I515	K138-E236 IonicContact NZ-OE1 2.69Å; K138-E236 PolarHBondContact NZ-OE1 2.96Å; K138-E236 IonicContact NZ-OE2 2.7Å; V201-E236 VanDerWaalsContact CA-OE1 3.24Å; V201-E236 WeakPolarHBondContact CA-OE1 3.13Å; V201-E236 PolarHBondContact N-OE1 3.41Å; V201-E236 WeakPolarHBondContact O-CG 3.42Å; V201-E236 PolarHBondContact O-N 2.95Å; P202-E236 WeakPolarHBondContact CD-OE1 3.46Å; E236-E238 PolarHBondContact O-N 3.02Å; E236-A239 PolarHBondContact O-N 3.08Å; E236-A240 WeakPolarHBondContact O-CB 3.22Å; E236-A240 PolarHBondContact O-N 2.9Å; E236-D316 WeakPolarHBondContact CB-OD2 3.24Å; E236-I515 HydrophobicContact CB-CG1 4.43Å; E236-I515 HydrophobicContact CB-CG2 4.23Å; E236-I515 HydrophobicContact CG-CG2 4.04Å
237	P	92.3	Very high	90.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-73.3	-22.8	178.6	30.2	-37.8	0	0	0	114	A203 S241 V314 D316 D323 T325	A203-P237 HydrophobicContact CB-CG 3.6Å; P237-S241 WeakPolarHBondContact O-CB 3.41Å; P237-S241 PolarHBondContact O-N 3.15Å; P237-V314 HydrophobicContact CB-CB 4.48Å; P237-V314 HydrophobicContact CB-CG1 4.14Å; P237-D316 HydrophobicContact CB-CB 4.35Å; P237-D323 HydrophobicContact CG-CB 4.18Å; P237-T325 HydrophobicContact CB-CG2 4.12Å; P237-T325 HydrophobicContact CG-CG2 3.69Å
238	E	90.4	Very high	89.7	Confident	6 Å²	6	16.6 Å²	16.6	3%	0.028	8%	0.079	C	C	.	.	H	α-helix	trans	-71.7	-46.8	172.4	-73.7	-176.4	141.8	0	0	111.2	L235 E236 A240 S241 I242 I529 R532	L235-E238 HydrophobicContact CB-CB 4.14Å; L235-E238 HydrophobicContact CB-CG 3.97Å; L235-E238 VanDerWaalsContact CB-OE2 3.29Å; L235-E238 WeakPolarHBondContact CB-OE2 3.44Å; L235-E238 HydrophobicContact CD1-CG 4.45Å; L235-E238 VanDerWaalsContact CG-OE2 3.28Å; L235-E238 WeakPolarHBondContact CG-OE2 3.42Å; L235-E238 WeakPolarHBondContact O-CB 3.44Å; L235-E238 PolarHBondContact O-N 3.33Å; L235-E238 VanDerWaalsContact O-N 3.13Å; E236-E238 PolarHBondContact O-N 3.02Å; E238-A240 VanDerWaalsContact C-N 3.31Å; E238-A240 PolarHBondContact O-N 2.87Å; E238-S241 WeakPolarHBondContact O-CA 3.43Å; E238-S241 VanDerWaalsContact O-CB 3.23Å; E238-S241 WeakPolarHBondContact O-CB 3.49Å; E238-S241 PolarHBondContact O-N 2.97Å; E238-S241 VanDerWaalsContact O-N 3.11Å; E238-I242 WeakPolarHBondContact O-CG1 3.33Å; E238-I242 PolarHBondContact O-N 3.05Å; E238-I529 HydrophobicContact CB-CD1 3.64Å; E238-I529 VanDerWaalsContact CD-CD1 3.44Å; E238-I529 HydrophobicContact CG-CD1 3.78Å; E238-I529 WeakPolarHBondContact OE1-CD1 3.21Å; E238-R532 IonicContact OE1-CZ 3.9Å; E238-R532 VanDerWaalsContact OE1-CZ 3.24Å; E238-R532 IonicContact OE1-NE 2.89Å; E238-R532 PolarHBondContact OE1-NE 3.34Å; E238-R532 IonicContact OE1-NH2 3.23Å; E238-R532 PolarHBondContact OE1-NH2 2.82Å; E238-R532 IonicContact OE2-CZ 2.96Å; E238-R532 IonicContact OE2-NE 3.6Å; E238-R532 IonicContact OE2-NH2 2.92Å; E238-R532 PolarHBondContact OE2-NH2 2.79Å
239	A	93.5	Very high	89	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.008	9%	0.085	C	C	.	.	H	α-helix	trans	-56.3	-48.6	172.9	0	0	0	0	0	110.2	L235 E236 S241 I242 Y243 G518 A519	L235-A239 PolarHBondContact O-N 2.67Å; E236-A239 PolarHBondContact O-N 3.08Å; A239-S241 VanDerWaalsContact C-N 3.3Å; A239-S241 PolarHBondContact O-N 2.92Å; A239-I242 PolarHBondContact O-N 3.4Å; A239-I242 VanDerWaalsContact O-N 3.14Å; A239-Y243 PolarHBondContact O-N 3.29Å; A239-Y243 VanDerWaalsContact O-N 3.12Å; A239-G518 WeakPolarHBondContact O-CA 3.39Å; A239-A519 HydrophobicContact CB-CB 4.18Å
240	A	93.2	Very high	88.4	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.6	-41.3	175.2	0	0	0	0	0	112.8	E236 E238 I242 Y243 C244 V314 V482 T514 I515	E236-A240 WeakPolarHBondContact O-CB 3.22Å; E236-A240 PolarHBondContact O-N 2.9Å; E238-A240 VanDerWaalsContact C-N 3.31Å; E238-A240 PolarHBondContact O-N 2.87Å; A240-I242 PolarHBondContact O-N 3.47Å; A240-Y243 PolarHBondContact O-N 3.41Å; A240-C244 WeakPolarHBondContact O-CB 3.34Å; A240-C244 PolarHBondContact O-N 3.05Å; A240-C244 PolarHBondContact O-SG 2.92Å; A240-V314 HydrophobicContact CB-CG1 4.05Å; A240-V482 HydrophobicContact CB-CB 4.36Å; A240-V482 HydrophobicContact CB-CG1 4.46Å; A240-V482 HydrophobicContact CB-CG2 3.73Å; A240-T514 HydrophobicContact CB-CG2 3.79Å; A240-I515 HydrophobicContact CB-CD1 4.21Å; A240-I515 HydrophobicContact CB-CG1 4.25Å
241	S	90	Very high	87.7	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-56.1	-49	173.7	-167.7	0	0	0	0	112.2	P237 E238 A239 Y243 C244 R245 Y312	P237-S241 WeakPolarHBondContact O-CB 3.41Å; P237-S241 PolarHBondContact O-N 3.15Å; E238-S241 WeakPolarHBondContact O-CA 3.43Å; E238-S241 VanDerWaalsContact O-CB 3.23Å; E238-S241 WeakPolarHBondContact O-CB 3.49Å; E238-S241 PolarHBondContact O-N 2.97Å; E238-S241 VanDerWaalsContact O-N 3.11Å; A239-S241 VanDerWaalsContact C-N 3.3Å; A239-S241 PolarHBondContact O-N 2.92Å; S241-Y243 VanDerWaalsContact C-N 3.3Å; S241-Y243 PolarHBondContact O-N 2.94Å; S241-C244 PolarHBondContact O-N 3.5Å; S241-R245 VanDerWaalsContact O-CG 3.24Å; S241-R245 WeakPolarHBondContact O-CG 3.18Å; S241-R245 PolarHBondContact O-N 2.87Å; S241-Y312 WeakPolarHBondContact OG-CE2 3.21Å; S241-Y312 PolarHBondContact OG-OH 2.9Å
242	I	89.2	Confident	87.1	Confident	9 Å²	9	22.7 Å²	22.7	5%	0.046	11%	0.106	C	C	.	.	H	α-helix	trans	-59.9	-39.8	-179.7	-66.4	166.8	0	0	0	111.5	E238 A239 A240 L521 F522 V528 I529	E238-I242 WeakPolarHBondContact O-CG1 3.33Å; E238-I242 PolarHBondContact O-N 3.05Å; A239-I242 PolarHBondContact O-N 3.4Å; A239-I242 VanDerWaalsContact O-N 3.14Å; A240-I242 PolarHBondContact O-N 3.47Å; I242-L521 HydrophobicContact CG2-CB 3.62Å; I242-L521 HydrophobicContact CG2-CD1 4.12Å; I242-F522 HydrophobicContact CD1-CB 3.75Å; I242-F522 HydrophobicContact CD1-CD2 3.51Å; I242-F522 HydrophobicContact CD1-CE2 4.48Å; I242-F522 HydrophobicContact CD1-CG 3.98Å; I242-V528 HydrophobicContact CD1-CB 4.47Å; I242-V528 HydrophobicContact CD1-CG1 4.3Å; I242-V528 HydrophobicContact CG1-CG1 3.97Å; I242-I529 HydrophobicContact CD1-CD1 4.15Å; I242-I529 HydrophobicContact CD1-CG1 4.37Å
243	Y	90.1	Very high	86.5	Confident	18 Å²	18	23.6 Å²	23.6	7%	0.071	11%	0.112	C	C	.	.	H	α-helix	trans	-72.1	-43.9	176.7	-176.2	-110.9	0	0	0	112.7	A239 A240 S241 R245 K246 L247 V295 T514 K517 L521	A239-Y243 PolarHBondContact O-N 3.29Å; A239-Y243 VanDerWaalsContact O-N 3.12Å; A240-Y243 PolarHBondContact O-N 3.41Å; S241-Y243 VanDerWaalsContact C-N 3.3Å; S241-Y243 PolarHBondContact O-N 2.94Å; Y243-R245 PolarHBondContact O-N 3.14Å; Y243-K246 PolarHBondContact O-N 3.37Å; Y243-L247 HydrophobicContact CD1-CD2 4.31Å; Y243-L247 HydrophobicContact CE1-CD1 4.42Å; Y243-L247 HydrophobicContact CE1-CD2 3.61Å; Y243-L247 HydrophobicContact CE1-CG 4.29Å; Y243-L247 HydrophobicContact CE2-CD2 4.48Å; Y243-V295 HydrophobicContact CE2-CG2 4.5Å; Y243-T514 HydrophobicContact CD1-CG2 3.79Å; Y243-K517 HydrophobicContact CD2-CB 3.53Å; Y243-K517 HydrophobicContact CD2-CD 4.15Å; Y243-K517 HydrophobicContact CE1-CD 3.95Å; Y243-K517 HydrophobicContact CE2-CB 3.68Å; Y243-K517 HydrophobicContact CE2-CD 3.42Å; Y243-K517 VanDerWaalsContact CE2-CD 3.42Å; Y243-K517 HydrophobicContact CE2-CG 4.19Å; Y243-K517 HydrophobicContact CG-CB 3.99Å; Y243-K517 WeakPolarHBondContact OH-CD 3.42Å; Y243-K517 PolarHBondContact OH-NZ 2.88Å; Y243-L521 HydrophobicContact CD2-CD1 4.22Å
244	C	87.6	Confident	86.1	Confident	4 Å²	4	24.5 Å²	24.5	3%	0.027	12%	0.117	C	C	.	.	H	α-helix	trans	-56.2	-34.2	178.9	-75.2	0	0	0	0	112.8	A240 S241 K246 L247 F480	A240-C244 WeakPolarHBondContact O-CB 3.34Å; A240-C244 PolarHBondContact O-N 3.05Å; A240-C244 PolarHBondContact O-SG 2.92Å; S241-C244 PolarHBondContact O-N 3.5Å; C244-K246 PolarHBondContact O-N 2.96Å; C244-L247 WeakPolarHBondContact O-CB 3.43Å; C244-L247 PolarHBondContact O-N 3.25Å; C244-F480 HydrophobicContact CB-CD1 3.7Å; C244-F480 HydrophobicContact CB-CE1 3.78Å; C244-F480 HydrophobicContact CB-CG 4.14Å; C244-F480 HydrophobicContact CB-CZ 4.28Å
245	R	81.3	Confident	85.4	Confident	30 Å²	30	25 Å²	25	11%	0.113	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.3	174.7	-71.2	175.3	63.4	-173.4	-6.2	115.4	S241 Y243 G300 W303 G334	S241-R245 VanDerWaalsContact O-CG 3.24Å; S241-R245 WeakPolarHBondContact O-CG 3.18Å; S241-R245 PolarHBondContact O-N 2.87Å; Y243-R245 PolarHBondContact O-N 3.14Å; R245-G300 WeakPolarHBondContact O-CA 3.48Å; R245-G300 PolarHBondContact O-N 3.17Å; R245-W303 HydrophobicContact CB-CD2 4.23Å; R245-W303 HydrophobicContact CB-CE3 4.2Å; R245-W303 HydrophobicContact CG-CD2 3.76Å; R245-W303 HydrophobicContact CG-CE3 3.46Å; R245-W303 VanDerWaalsContact CG-CE3 3.46Å; R245-W303 HydrophobicContact CG-CH2 3.51Å; R245-W303 HydrophobicContact CG-CZ2 3.82Å; R245-W303 HydrophobicContact CG-CZ3 3.36Å; R245-W303 VanDerWaalsContact NE-CZ2 3.32Å; R245-G334 PolarHBondContact NH1-O 2.87Å; R245-G334 PolarHBondContact NH2-O 3.36Å
246	K	81.7	Confident	84	Confident	59 Å²	59	26.6 Å²	26.6	26%	0.257	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-3.5	-179.5	-63.2	-68	-170	164.7	0	112.8	Y243 C244 V295 L521	Y243-K246 PolarHBondContact O-N 3.37Å; C244-K246 PolarHBondContact O-N 2.96Å; K246-V295 HydrophobicContact CB-CG1 3.69Å; K246-V295 HydrophobicContact CD-CG1 4.06Å; K246-V295 HydrophobicContact CG-CG1 3.74Å; K246-L521 HydrophobicContact CG-CD1 4.15Å
247	L	78.8	Confident	82	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.164	C	C	.	.			trans	-77.3	140.4	-176.4	-65.3	177.5	0	0	0	113.1	Y243 C244 Q251 M252 G300 E301 P508	Y243-L247 HydrophobicContact CD1-CD2 4.31Å; Y243-L247 HydrophobicContact CE1-CD1 4.42Å; Y243-L247 HydrophobicContact CE1-CD2 3.61Å; Y243-L247 HydrophobicContact CE1-CG 4.29Å; Y243-L247 HydrophobicContact CE2-CD2 4.48Å; C244-L247 WeakPolarHBondContact O-CB 3.43Å; C244-L247 PolarHBondContact O-N 3.25Å; L247-Q251 HydrophobicContact CD2-CB 3.95Å; L247-M252 HydrophobicContact CB-CE 3.48Å; L247-M252 VanDerWaalsContact CB-CE 3.48Å; L247-M252 HydrophobicContact CD1-CE 4.42Å; L247-G300 CarbonylContact O-C 3.59Å; L247-G300 VanDerWaalsContact O-CA 3.24Å; L247-G300 WeakPolarHBondContact O-CA 3.15Å; L247-E301 PolarHBondContact O-N 3.35Å; L247-P508 HydrophobicContact CD1-CB 3.74Å; L247-P508 HydrophobicContact CD1-CG 3.71Å
248	R	75.9	Confident	79.9	Confident	29 Å²	29	36.7 Å²	36.7	11%	0.109	19%	0.194	C	C	.	.			trans	-87.5	158.2	165.6	-61.8	-73.2	172.9	-132.5	-12.9	110.3	H250 Q251 E296 I299 G300 E301	R248-H250 VanDerWaalsContact CB-CE1 3.43Å; R248-H250 WeakPolarHBondContact CB-CE1 3.34Å; R248-H250 WeakPolarHBondContact CB-ND1 3.41Å; R248-H250 PolarHBondContact O-N 2.97Å; R248-Q251 HydrophobicContact CB-CG 4.2Å; R248-Q251 WeakPolarHBondContact O-CB 3.48Å; R248-Q251 PolarHBondContact O-N 2.82Å; R248-E296 IonicContact CZ-OE2 2.83Å; R248-E296 IonicContact NE-OE2 3.24Å; R248-E296 PolarHBondContact NE-OE2 2.92Å; R248-E296 IonicContact NH2-OE2 2.81Å; R248-E296 PolarHBondContact NH2-OE2 3.36Å; R248-I299 PolarHBondContact NH1-O 3.34Å; R248-I299 PolarHBondContact NH2-O 3.22Å; R248-G300 VanDerWaalsContact NH1-C 3.33Å; R248-E301 WeakPolarHBondContact CB-OE2 3.49Å; R248-E301 VanDerWaalsContact CD-CD 3.42Å; R248-E301 VanDerWaalsContact NH1-N 3.13Å
249	L	73.3	Confident	77.2	Confident	80 Å²	80	42.3 Å²	42.3	42%	0.419	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-57.5	-35	-178.7	-68.7	171.4	0	0	0	112.2	Q251 M252 E301 L302	L249-Q251 PolarHBondContact O-N 2.95Å; L249-M252 HydrophobicContact CD2-SD 4.18Å; L249-M252 VanDerWaalsContact O-CG 3.23Å; L249-M252 WeakPolarHBondContact O-CG 3.25Å; L249-M252 PolarHBondContact O-N 2.92Å; L249-E301 WeakPolarHBondContact CB-OE2 3.48Å; L249-E301 HydrophobicContact CD1-CB 4.32Å; L249-E301 HydrophobicContact CG-CB 3.93Å; L249-E301 PolarHBondContact N-OE2 3.22Å; L249-L302 HydrophobicContact CD2-CB 4.37Å; L249-L302 HydrophobicContact CD2-CD1 4.02Å
250	H	75.3	Confident	74.3	Confident	123 Å²	123	48 Å²	48	57%	0.569	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-72.7	-1.1	176.9	74	-98.5	0	0	0	114.7	R248 H509	R248-H250 VanDerWaalsContact CB-CE1 3.43Å; R248-H250 WeakPolarHBondContact CB-CE1 3.34Å; R248-H250 WeakPolarHBondContact CB-ND1 3.41Å; R248-H250 PolarHBondContact O-N 2.97Å; H250-H509 PolarHBondContact O-CD2 2.79Å; H250-H509 PolarHBondContact O-NE2 2.86Å
251	Q	79.5	Confident	71.4	Confident	51 Å²	51	55.7 Å²	55.7	24%	0.238	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-108.2	6.8	-179.7	-56.8	177.2	-34	0	0	112.3	L247 R248 L249 H509	L247-Q251 HydrophobicContact CD2-CB 3.95Å; R248-Q251 HydrophobicContact CB-CG 4.2Å; R248-Q251 WeakPolarHBondContact O-CB 3.48Å; R248-Q251 PolarHBondContact O-N 2.82Å; L249-Q251 PolarHBondContact O-N 2.95Å; Q251-H509 PolarHBondContact O-N 3.35Å
252	M	82.9	Confident	68.6	Low	14 Å²	14	61.8 Å²	61.8	7%	0.069	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	163.6	-173.3	58.9	177.2	74.2	0	0	112	L247 L249 L302 I506 I507	L247-M252 HydrophobicContact CB-CE 3.48Å; L247-M252 VanDerWaalsContact CB-CE 3.48Å; L247-M252 HydrophobicContact CD1-CE 4.42Å; L249-M252 HydrophobicContact CD2-SD 4.18Å; L249-M252 VanDerWaalsContact O-CG 3.23Å; L249-M252 WeakPolarHBondContact O-CG 3.25Å; L249-M252 PolarHBondContact O-N 2.92Å; M252-L302 HydrophobicContact CE-CB 3.82Å; M252-L302 HydrophobicContact CE-CD2 3.97Å; M252-L302 HydrophobicContact CE-CG 4.43Å; M252-L302 HydrophobicContact SD-CB 4.15Å; M252-L302 HydrophobicContact SD-CD1 4.18Å; M252-L302 HydrophobicContact SD-CD2 3.9Å; M252-L302 HydrophobicContact SD-CG 4.31Å; M252-I506 HydrophobicContact CB-CG2 3.92Å; M252-I506 HydrophobicContact CE-CG2 4.32Å; M252-I506 HydrophobicContact CG-CG2 4.27Å; M252-I506 HydrophobicContact SD-CG2 3.58Å; M252-I506 VanDerWaalsContact SD-CG2 3.58Å; M252-I507 CarbonylContact C-O 3.59Å; M252-I507 VanDerWaalsContact CA-O 3.27Å; M252-I507 WeakPolarHBondContact CA-O 3.18Å
253	V	84.4	Confident	65.9	Low	42 Å²	42	65.3 Å²	65.3	26%	0.255	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.3	170.9	-176.2	0	0	0	0	108.2	L255 I506 I507	V253-L255 HydrophobicContact CG1-CD2 4.14Å; V253-I506 WeakPolarHBondContact O-CA 3.32Å; V253-I507 HydrophobicContact CB-CB 4.43Å; V253-I507 PolarHBondContact N-O 3.17Å; V253-I507 PolarHBondContact O-N 3.1Å
254	D	84.9	Confident	63	Low	20 Å²	20	73 Å²	73	11%	0.107	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	106.4	168.7	-173.1	-29.6	0	0	0	109	G256 T257 R504 I506	D254-G256 PolarHBondContact O-N 2.78Å; D254-G256 WeakPolarHBondContact OD1-CA 3.42Å; D254-G256 PolarHBondContact OD1-N 3.38Å; D254-T257 HydrophobicContact CB-CG2 4.31Å; D254-T257 PolarHBondContact O-N 2.93Å; D254-T257 PolarHBondContact O-OG1 2.92Å; D254-R504 IonicContact OD2-CZ 2.63Å; D254-R504 VanDerWaalsContact OD2-CZ 3.24Å; D254-R504 IonicContact OD2-NE 2.85Å; D254-R504 PolarHBondContact OD2-NE 2.89Å; D254-R504 IonicContact OD2-NH2 3.35Å; D254-R504 PolarHBondContact OD2-NH2 3.44Å; D254-I506 HydrophobicContact CB-CD1 3.94Å
255	L	79.9	Confident	60.1	Low	10 Å²	10	78.1 Å²	78.1	5%	0.052	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-64.3	-20.6	-177.9	-64.7	-175.9	0	0	0	113	V253 T257 Q492 Q496 I505 I507	V253-L255 HydrophobicContact CG1-CD2 4.14Å; L255-T257 VanDerWaalsContact C-N 3.26Å; L255-T257 PolarHBondContact O-N 2.91Å; L255-Q492 HydrophobicContact CD1-CB 4.1Å; L255-Q496 PolarHBondContact O-NE2 2.96Å; L255-I505 HydrophobicContact CB-CB 4.28Å; L255-I505 HydrophobicContact CD1-CB 4.21Å; L255-I505 HydrophobicContact CD1-CD1 4.34Å; L255-I505 HydrophobicContact CD1-CG2 3.86Å; L255-I505 HydrophobicContact CG-CB 4.42Å; L255-I505 HydrophobicContact CG-CG2 4.34Å; L255-I505 PolarHBondContact N-O 3.48Å; L255-I505 VanDerWaalsContact N-O 3.1Å; L255-I507 HydrophobicContact CD1-CD1 4.02Å; L255-I507 HydrophobicContact CD2-CD1 4.24Å; L255-I507 HydrophobicContact CG-CD1 4.14Å
256	G	63.9	Low	57.8	Low	50 Å²	50	82.7 Å²	82.7	52%	0.515	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-70.7	-19.3	180	0	0	0	0	0	114.1	D254	D254-G256 PolarHBondContact O-N 2.78Å; D254-G256 WeakPolarHBondContact OD1-CA 3.42Å; D254-G256 PolarHBondContact OD1-N 3.38Å
257	T	55.2	Low	55.4	Low	90 Å²	90	86.9 Å²	86.9	55%	0.552	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-94.6	-9	-172.6	59.3	0	0	0	0	115.2	D254 L255 T259	D254-T257 HydrophobicContact CB-CG2 4.31Å; D254-T257 PolarHBondContact O-N 2.93Å; D254-T257 PolarHBondContact O-OG1 2.92Å; L255-T257 VanDerWaalsContact C-N 3.26Å; L255-T257 PolarHBondContact O-N 2.91Å; T257-T259 VanDerWaalsContact C-N 3.27Å; T257-T259 PolarHBondContact O-N 2.86Å
258	Q	47.1	Very low	53	Low	132 Å²	132	95 Å²	95	62%	0.617	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-2	-171.8	-66.5	-165.8	8	0	0	115.4	T260	Q258-T260 VanDerWaalsContact C-N 3.3Å; Q258-T260 PolarHBondContact O-N 3.35Å
259	T	34.3	Very low	50.8	Low	125 Å²	125	100.9 Å²	100.9	77%	0.767	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-3.7	-177.3	39.6	0	0	0	0	115.5	T257	T257-T259 VanDerWaalsContact C-N 3.27Å; T257-T259 PolarHBondContact O-N 2.86Å
260	T	31.8	Very low	49.1	Very low	121 Å²	121	104.1 Å²	104.1	74%	0.742	60%	0.599	S	S	*	*	S	Bend	trans	-132	-2.3	-173.8	53	0	0	0	0	117.5	Q258	Q258-T260 VanDerWaalsContact C-N 3.3Å; Q258-T260 PolarHBondContact O-N 3.35Å
261	Q	32.6	Very low	46.7	Very low	160 Å²	160	101.8 Å²	101.8	75%	0.748	61%	0.608	S	S	*	*	S	Bend	trans	-140.3	86.1	174.9	-71.4	-166.7	-0.9	0	0	114.3
262	N	31	Very low	44.6	Very low	128 Å²	128	105.9 Å²	105.9	68%	0.684	64%	0.643	S	S	*	*				159.2	108.3	113.5	-81.5	-50.9	0	0	0	111.2	F264	N262-F264 HydrophobicContact CB-CD2 4.03Å; N262-F264 HydrophobicContact CB-CE2 4.28Å; N262-F264 PolarHBondContact O-N 3.3Å
263	G	32.7	Very low	41.9	Very low	83 Å²	83	108.9 Å²	108.9	86%	0.856	68%	0.677	S	S	*	*			trans	-75.1	105.4	162.8	0	0	0	0	0	110.2
264	F	29.6	Very low	39.4	Very low	181 Å²	181	115.2 Å²	115.2	79%	0.794	71%	0.706	S	S	*	*			trans	-110.5	105.8	165.1	-91.5	-81.7	0	0	0	109.8	N262	N262-F264 HydrophobicContact CB-CD2 4.03Å; N262-F264 HydrophobicContact CB-CE2 4.28Å; N262-F264 PolarHBondContact O-N 3.3Å
265	S	27.1	Very low	36.9	Very low	111 Å²	111	120.6 Å²	120.6	78%	0.776	74%	0.739	S	S	*	*			trans	-66	130.7	173	-62.6	0	0	0	0	110.6	N267	S265-N267 PolarHBondContact O-N 2.84Å
266	P	31.6	Very low	34.5	Very low	125 Å²	125	129 Å²	129	81%	0.812	78%	0.778	S	S	*	*	S	Bend	trans	-84.6	77.2	179.2	34.3	-34.5	0	0	0	110.8
267	N	32.2	Very low	32.9	Very low	148 Å²	148	131.1 Å²	131.1	79%	0.791	78%	0.781	S	S	*	*			trans	-158.1	99	162.9	-98.7	-22.4	0	0	0	109.2	S265	S265-N267 PolarHBondContact O-N 2.84Å
268	D	27.9	Very low	31.8	Very low	173 Å²	173	129.4 Å²	129.4	93%	0.925	77%	0.773	S	S	*	*			trans	-164.8	137.2	137.9	-100.1	-26.9	0	0	0	109.9
269	N	30.6	Very low	31.1	Very low	152 Å²	152	128.3 Å²	128.3	81%	0.813	78%	0.777	S	S	*	*			trans	-124.1	123.8	-171.6	-137.5	-2	0	0	0	109.1
270	V	36.8	Very low	31.1	Very low	147 Å²	147	126 Å²	126	89%	0.891	77%	0.771	S	S	*	*			trans	59.2	106.1	163	-169	0	0	0	0	117.6
271	G	25.2	Very low	31.2	Very low	74 Å²	74	127.3 Å²	127.3	76%	0.763	77%	0.766	S	S	*	*			trans	-161.6	136.6	163.1	0	0	0	0	0	111.6
272	S	34	Very low	31	Very low	138 Å²	138	123.7 Å²	123.7	97%	0.965	75%	0.749	S	S	*	*			trans	-70.6	138.3	-176.6	-70.2	0	0	0	0	113.1
273	G	26.4	Very low	31.1	Very low	76 Å²	76	123.7 Å²	123.7	78%	0.784	75%	0.745	S	S	*	*			trans	-177.4	124	169	0	0	0	0	0	112.8
274	M	31.8	Very low	31.2	Very low	175 Å²	175	122.4 Å²	122.4	86%	0.862	73%	0.727	S	S	*	*			trans	-84.1	151.3	174	-101	160.4	67.5	0	0	111.4
275	T	33.7	Very low	31.4	Very low	133 Å²	133	122.3 Å²	122.3	82%	0.816	72%	0.721	S	S	*	*			trans	64.7	141.2	173.5	54.1	0	0	0	0	116.4
276	Q	28.2	Very low	31.7	Very low	187 Å²	187	124.8 Å²	124.8	87%	0.874	71%	0.713	S	S	*	*			cis	-127.7	150.6	13.5	-64.4	177.8	-9.7	0	0	112.4
277	V	31.8	Very low	32.2	Very low	94 Å²	94	122.8 Å²	122.8	57%	0.57	70%	0.696	S	S	*	*			trans	-91.6	134.3	168.6	-180	0	0	0	0	108.4	K281 E282	V277-K281 HydrophobicContact CG1-CB 3.81Å; V277-E282 HydrophobicContact CG1-CB 4.4Å
278	S	31.8	Very low	32.8	Very low	55 Å²	55	124.9 Å²	124.9	39%	0.385	69%	0.693	S	S	.	*			trans	-69.1	144.9	179	60.4	0	0	0	0	111.8	A280 K281 E282	S278-A280 PolarHBondContact O-N 3.07Å; S278-A280 VanDerWaalsContact O-N 3.12Å; S278-K281 PolarHBondContact O-N 2.67Å; S278-K281 WeakPolarHBondContact OG-CG 3.38Å; S278-E282 PolarHBondContact O-N 3.32Å; S278-E282 VanDerWaalsContact O-N 3.12Å
279	P	31.3	Very low	33.6	Very low	109 Å²	109	124.2 Å²	124.2	71%	0.708	68%	0.684	S	S	*	*	H	α-helix	trans	-53.9	-37.8	-176.7	-29.1	35.5	0	0	0	113.8	K281 E282 H283	P279-K281 PolarHBondContact O-N 3.04Å; P279-E282 PolarHBondContact O-N 2.74Å; P279-H283 WeakPolarHBondContact O-CB 3.48Å; P279-H283 PolarHBondContact O-N 2.82Å
280	A	34.4	Very low	34.6	Very low	77 Å²	77	119.1 Å²	119.1	64%	0.636	66%	0.66	S	S	*	*	H	α-helix	trans	-62.2	-40.1	175.7	0	0	0	0	0	113.3	S278 E282 A284	S278-A280 PolarHBondContact O-N 3.07Å; S278-A280 VanDerWaalsContact O-N 3.12Å; A280-E282 VanDerWaalsContact C-N 3.34Å; A280-A284 WeakPolarHBondContact O-CB 3.13Å; A280-A284 PolarHBondContact O-N 3.08Å
281	K	34.7	Very low	35.7	Very low	148 Å²	148	115.7 Å²	115.7	64%	0.643	63%	0.631	S	S	*	*	H	α-helix	trans	-70.2	-31.7	176.1	-74.9	-179.7	177.8	177.1	0	111.9	V277 S278 P279 R285	V277-K281 HydrophobicContact CG1-CB 3.81Å; S278-K281 PolarHBondContact O-N 2.67Å; S278-K281 WeakPolarHBondContact OG-CG 3.38Å; P279-K281 PolarHBondContact O-N 3.04Å; K281-R285 PolarHBondContact O-N 2.99Å; K281-R285 VanDerWaalsContact O-N 3.17Å
282	E	27.6	Very low	37.6	Very low	83 Å²	83	114.1 Å²	114.1	39%	0.388	61%	0.607	S	S	.	*	H	α-helix	trans	-75.4	-40.9	175.6	-160.7	178.6	155.8	0	0	112.2	V277 S278 P279 A280 R285 R286	V277-E282 HydrophobicContact CG1-CB 4.4Å; S278-E282 PolarHBondContact O-N 3.32Å; S278-E282 VanDerWaalsContact O-N 3.12Å; P279-E282 PolarHBondContact O-N 2.74Å; A280-E282 VanDerWaalsContact C-N 3.34Å; E282-R285 WeakPolarHBondContact O-CB 3.47Å; E282-R285 PolarHBondContact O-N 2.86Å; E282-R285 VanDerWaalsContact O-N 3.13Å; E282-R286 PolarHBondContact O-N 3.14Å; E282-R286 IonicContact OE1-CZ 2.7Å; E282-R286 IonicContact OE1-NE 2.7Å; E282-R286 IonicContact OE1-NH2 3.79Å; E282-R286 PolarHBondContact OE1-NH2 3.16Å
283	H	33	Very low	39.4	Very low	128 Å²	128	108.5 Å²	108.5	59%	0.593	57%	0.565	S	S	*	*	H	α-helix	trans	-63.5	-43.8	175.8	-140.2	87.2	0	0	0	111.6	P279 R285 R286 N287	P279-H283 WeakPolarHBondContact O-CB 3.48Å; P279-H283 PolarHBondContact O-N 2.82Å; H283-R285 VanDerWaalsContact C-N 3.29Å; H283-R285 PolarHBondContact O-N 3.07Å; H283-R286 PolarHBondContact O-N 3.17Å; H283-N287 PolarHBondContact O-N 3.45Å
284	A	35.4	Very low	41.3	Very low	57 Å²	57	110.9 Å²	110.9	47%	0.471	56%	0.559	S	S	.	*	H	α-helix	trans	-61.5	-33.7	172	0	0	0	0	0	112.8	A280 R288	A280-A284 WeakPolarHBondContact O-CB 3.13Å; A280-A284 PolarHBondContact O-N 3.08Å; A284-R288 WeakPolarHBondContact O-CB 3.4Å; A284-R288 WeakPolarHBondContact O-CG 3.32Å; A284-R288 PolarHBondContact O-N 3.12Å; A284-R288 VanDerWaalsContact O-N 3.12Å
285	R	33.1	Very low	42.9	Very low	178 Å²	178	103 Å²	103	67%	0.672	52%	0.521	S	S	*	.	H	α-helix	trans	-68.1	-39.8	172.7	-106	-179.6	75.9	157.8	0.4	112.8	K281 E282 H283 R288	K281-R285 PolarHBondContact O-N 2.99Å; K281-R285 VanDerWaalsContact O-N 3.17Å; E282-R285 WeakPolarHBondContact O-CB 3.47Å; E282-R285 PolarHBondContact O-N 2.86Å; E282-R285 VanDerWaalsContact O-N 3.13Å; H283-R285 VanDerWaalsContact C-N 3.29Å; H283-R285 PolarHBondContact O-N 3.07Å; R285-R288 PolarHBondContact O-N 3.44Å
286	R	34	Very low	44.2	Very low	164 Å²	164	101.5 Å²	101.5	62%	0.619	51%	0.505	S	S	*	.	H	α-helix	trans	-68.9	-45.4	178.1	-68.8	-175.5	-171	-167.5	4.5	111.7	E282 H283 R288 Q289 S290	E282-R286 PolarHBondContact O-N 3.14Å; E282-R286 IonicContact OE1-CZ 2.7Å; E282-R286 IonicContact OE1-NE 2.7Å; E282-R286 IonicContact OE1-NH2 3.79Å; E282-R286 PolarHBondContact OE1-NH2 3.16Å; H283-R286 PolarHBondContact O-N 3.17Å; R286-R288 VanDerWaalsContact C-N 3.27Å; R286-R288 PolarHBondContact O-N 3.13Å; R286-Q289 PolarHBondContact O-N 3Å; R286-S290 PolarHBondContact O-N 2.74Å
287	N	42.8	Very low	45.4	Very low	82 Å²	82	97.9 Å²	97.9	44%	0.439	49%	0.491	S	S	.	.	H	α-helix	trans	-64.8	-28.9	175.2	-102.4	-7.3	0	0	0	113.3	H283 Q289	H283-N287 PolarHBondContact O-N 3.45Å; N287-Q289 PolarHBondContact O-N 2.84Å
288	R	45.3	Very low	46.7	Very low	193 Å²	193	98 Å²	98	73%	0.728	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.5	170.1	-90.3	-174.9	169.3	-168.2	-2.6	114.5	R83 A284 R285 R286	R83-R288 PolarHBondContact NH1-O 3.26Å; A284-R288 WeakPolarHBondContact O-CB 3.4Å; A284-R288 WeakPolarHBondContact O-CG 3.32Å; A284-R288 PolarHBondContact O-N 3.12Å; A284-R288 VanDerWaalsContact O-N 3.12Å; R285-R288 PolarHBondContact O-N 3.44Å; R286-R288 VanDerWaalsContact C-N 3.27Å; R286-R288 PolarHBondContact O-N 3.13Å
289	Q	43.5	Very low	48.2	Very low	159 Å²	159	99.1 Å²	99.1	74%	0.743	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-22.9	179.2	-68.2	-175.9	-25.7	0	0	114.5	R286 N287	R286-Q289 PolarHBondContact O-N 3Å; N287-Q289 PolarHBondContact O-N 2.84Å
290	S	52.1	Low	49.6	Very low	45 Å²	45	94 Å²	94	32%	0.315	46%	0.459	S	S	.	.			trans	-67.6	137.9	175.9	-173.5	0	0	0	0	111.9	R83 R286 T292	R83-S290 PolarHBondContact NH1-O 2.98Å; R83-S290 VanDerWaalsContact NH1-O 3.16Å; R83-S290 PolarHBondContact NH2-O 3.28Å; R286-S290 PolarHBondContact O-N 2.74Å; S290-T292 WeakPolarHBondContact CB-O 3.39Å; S290-T292 PolarHBondContact OG-N 2.81Å; S290-T292 PolarHBondContact OG-O 3.47Å
291	R	58.7	Low	51.2	Low	75 Å²	75	93.7 Å²	93.7	28%	0.283	45%	0.445	S	S	.	.	S	Bend	trans	-76.5	-33.4	168.7	-78.4	174.5	150.8	-154	-18.6	112.1	T81 E181	T81-R291 PolarHBondContact N-O 2.77Å; T81-R291 PolarHBondContact OG1-O 3.3Å; E181-R291 IonicContact OE1-CZ 2.74Å; E181-R291 IonicContact OE1-NH1 3.24Å; E181-R291 PolarHBondContact OE1-NH1 2.93Å; E181-R291 IonicContact OE1-NH2 2.67Å; E181-R291 IonicContact OE2-CZ 3.53Å; E181-R291 IonicContact OE2-NH1 3.04Å; E181-R291 PolarHBondContact OE2-NH1 2.67Å; E181-R291 IonicContact OE2-NH2 3.84Å; E181-R291 PolarHBondContact OE2-NH2 2.81Å
292	T	66.7	Low	52.8	Low	41 Å²	41	86.8 Å²	86.8	25%	0.252	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.4	-179.7	-43.8	0	0	0	0	109.8	C78 H80 S290	C78-T292 HydrophobicContact CB-CG2 3.99Å; H80-T292 PolarHBondContact CE1-OG1 3.29Å; H80-T292 VanDerWaalsContact CE1-OG1 3.32Å; H80-T292 PolarHBondContact ND1-OG1 3.18Å; H80-T292 VanDerWaalsContact ND1-OG1 3.11Å; S290-T292 WeakPolarHBondContact CB-O 3.39Å; S290-T292 PolarHBondContact OG-N 2.81Å; S290-T292 PolarHBondContact OG-O 3.47Å
293	F	71.3	Confident	54.9	Low	19 Å²	19	83.4 Å²	83.4	8%	0.083	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130	166.4	-72	-82.6	0	0	0	108.8	E77 I79 T81 D510 L513 K517	E77-F293 VanDerWaalsContact O-O 3.05Å; I79-F293 PolarHBondContact N-O 3.31Å; I79-F293 PolarHBondContact O-N 2.83Å; T81-F293 HydrophobicContact CG2-CD2 3.71Å; T81-F293 HydrophobicContact CG2-CE2 3.73Å; T81-F293 VanDerWaalsContact OG1-CE2 3.31Å; T81-F293 WeakPolarHBondContact OG1-CE2 3.4Å; F293-D510 WeakPolarHBondContact CE1-OD2 3.13Å; F293-D510 WeakPolarHBondContact CZ-OD2 3.35Å; F293-L513 HydrophobicContact CE2-CD1 3.99Å; F293-L513 HydrophobicContact CZ-CD1 4.19Å; F293-K517 VanDerWaalsContact CD2-CE 3.45Å
294	L	66.8	Low	56.6	Low	127 Å²	127	81.8 Å²	81.8	67%	0.665	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	121.2	170.6	-62.9	175	0	0	0	109	E77	E77-L294 CarbonylContact O-C 3.6Å; E77-L294 WeakPolarHBondContact O-CA 3.47Å
295	V	64.8	Low	58.5	Low	10 Å²	10	82.2 Å²	82.2	6%	0.061	39%	0.394	C	S	.	.			trans	-98.7	113.1	169.9	-178.1	0	0	0	0	107.5	E77 I79 Y243 K246 N297 L521	E77-V295 WeakPolarHBondContact CA-O 3.15Å; E77-V295 WeakPolarHBondContact CB-O 3.4Å; E77-V295 PolarHBondContact O-N 2.87Å; I79-V295 HydrophobicContact CD1-CG2 3.53Å; I79-V295 HydrophobicContact CG1-CG2 3.93Å; Y243-V295 HydrophobicContact CE2-CG2 4.5Å; K246-V295 HydrophobicContact CB-CG1 3.69Å; K246-V295 HydrophobicContact CD-CG1 4.06Å; K246-V295 HydrophobicContact CG-CG1 3.74Å; V295-N297 PolarHBondContact O-N 2.84Å; V295-L521 HydrophobicContact CG1-CD1 4.33Å; V295-L521 HydrophobicContact CG1-CD2 4.32Å
296	E	60.3	Low	60.6	Low	101 Å²	101	74.4 Å²	74.4	47%	0.472	37%	0.366	S	S	.	.			trans	-62.7	138	-179.5	-67.8	176.9	-178.7	0	0	111.3	R248 V298	R248-E296 IonicContact CZ-OE2 2.83Å; R248-E296 IonicContact NE-OE2 3.24Å; R248-E296 PolarHBondContact NE-OE2 2.92Å; R248-E296 IonicContact NH2-OE2 2.81Å; R248-E296 PolarHBondContact NH2-OE2 3.36Å; E296-V298 PolarHBondContact O-N 3.4Å
297	N	54.7	Low	62.8	Low	110 Å²	110	73.2 Å²	73.2	59%	0.588	37%	0.367	S	S	*	.	S	Bend	trans	-70.9	3.4	-179.9	-78.4	-39.3	0	0	0	113.8	E77 V295	E77-N297 PolarHBondContact OE2-ND2 2.88Å; V295-N297 PolarHBondContact O-N 2.84Å
298	V	59	Low	64.7	Low	97 Å²	97	75.4 Å²	75.4	59%	0.588	37%	0.374	S	S	*	.	S	Bend	trans	-102.5	150.9	177.7	-174.3	0	0	0	0	110.2	E296	E296-V298 PolarHBondContact O-N 3.4Å
299	I	63	Low	66.5	Low	79 Å²	79	67.6 Å²	67.6	41%	0.405	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-51.9	137.5	169.7	-72.2	177.4	0	0	0	110.7	R248 W303	R248-I299 PolarHBondContact NH1-O 3.34Å; R248-I299 PolarHBondContact NH2-O 3.22Å; I299-W303 HydrophobicContact CG2-CB 3.65Å; I299-W303 HydrophobicContact CG2-CG 3.82Å
300	G	60.4	Low	68.7	Low	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-62.4	155.8	179.7	0	0	0	0	0	113.4	R245 L247 R248 L302 W303 S304	R245-G300 WeakPolarHBondContact O-CA 3.48Å; R245-G300 PolarHBondContact O-N 3.17Å; L247-G300 CarbonylContact O-C 3.59Å; L247-G300 VanDerWaalsContact O-CA 3.24Å; L247-G300 WeakPolarHBondContact O-CA 3.15Å; R248-G300 VanDerWaalsContact NH1-C 3.33Å; G300-L302 PolarHBondContact O-N 3.05Å; G300-W303 CarbonylContact O-C 3.48Å; G300-W303 WeakPolarHBondContact O-CA 3.06Å; G300-W303 WeakPolarHBondContact O-CB 3.44Å; G300-W303 PolarHBondContact O-N 2.97Å; G300-S304 PolarHBondContact O-N 2.82Å
301	E	67.1	Low	70.6	Confident	72 Å²	72	62 Å²	62	34%	0.336	32%	0.322	S	S	.	.	H	α-helix	trans	-59.4	-49.2	-176.8	-81.2	159.8	176	0	0	111.7	L247 R248 L249 W303 S304 E305	L247-E301 PolarHBondContact O-N 3.35Å; R248-E301 WeakPolarHBondContact CB-OE2 3.49Å; R248-E301 VanDerWaalsContact CD-CD 3.42Å; R248-E301 VanDerWaalsContact NH1-N 3.13Å; L249-E301 WeakPolarHBondContact CB-OE2 3.48Å; L249-E301 HydrophobicContact CD1-CB 4.32Å; L249-E301 HydrophobicContact CG-CB 3.93Å; L249-E301 PolarHBondContact N-OE2 3.22Å; E301-W303 PolarHBondContact O-N 3.1Å; E301-W303 VanDerWaalsContact O-N 3.17Å; E301-S304 WeakPolarHBondContact O-CB 3.24Å; E301-S304 PolarHBondContact O-N 3Å; E301-S304 PolarHBondContact O-OG 3.04Å; E301-E305 PolarHBondContact O-N 3.39Å
302	L	69.8	Low	72.2	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-58.6	-30.2	175.8	-168.9	81.6	0	0	0	112.3	L249 M252 G300 E305 F478 F480 I506	L249-L302 HydrophobicContact CD2-CB 4.37Å; L249-L302 HydrophobicContact CD2-CD1 4.02Å; M252-L302 HydrophobicContact CE-CB 3.82Å; M252-L302 HydrophobicContact CE-CD2 3.97Å; M252-L302 HydrophobicContact CE-CG 4.43Å; M252-L302 HydrophobicContact SD-CB 4.15Å; M252-L302 HydrophobicContact SD-CD1 4.18Å; M252-L302 HydrophobicContact SD-CD2 3.9Å; M252-L302 HydrophobicContact SD-CG 4.31Å; G300-L302 PolarHBondContact O-N 3.05Å; L302-E305 WeakPolarHBondContact O-CB 3.18Å; L302-E305 PolarHBondContact O-N 2.93Å; L302-F478 HydrophobicContact CD1-CD1 4.42Å; L302-F478 HydrophobicContact CD1-CE1 3.59Å; L302-F478 HydrophobicContact CD1-CZ 3.64Å; L302-F478 HydrophobicContact CD2-CD1 4.31Å; L302-F478 HydrophobicContact CD2-CE1 4.21Å; L302-F478 HydrophobicContact CD2-CZ 4.32Å; L302-F478 HydrophobicContact CG-CE1 4.03Å; L302-F478 HydrophobicContact CG-CE2 4.21Å; L302-F478 HydrophobicContact CG-CZ 3.81Å; L302-F480 HydrophobicContact CD2-CE1 3.65Å; L302-F480 HydrophobicContact CD2-CZ 3.73Å; L302-I506 HydrophobicContact CD1-CD1 4.31Å; L302-I506 HydrophobicContact CD2-CD1 4.37Å; L302-I506 HydrophobicContact CD2-CG1 3.88Å; L302-I506 HydrophobicContact CD2-CG2 4.13Å
303	W	70.3	Confident	73.5	Confident	11 Å²	11	56.5 Å²	56.5	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-83.1	-16.9	178.1	-161.7	-79.3	0	0	0	113	R245 I299 G300 E301 L306 Y312 I329 L336	R245-W303 HydrophobicContact CB-CD2 4.23Å; R245-W303 HydrophobicContact CB-CE3 4.2Å; R245-W303 HydrophobicContact CG-CD2 3.76Å; R245-W303 HydrophobicContact CG-CE3 3.46Å; R245-W303 VanDerWaalsContact CG-CE3 3.46Å; R245-W303 HydrophobicContact CG-CH2 3.51Å; R245-W303 HydrophobicContact CG-CZ2 3.82Å; R245-W303 HydrophobicContact CG-CZ3 3.36Å; R245-W303 VanDerWaalsContact NE-CZ2 3.32Å; I299-W303 HydrophobicContact CG2-CB 3.65Å; I299-W303 HydrophobicContact CG2-CG 3.82Å; G300-W303 CarbonylContact O-C 3.48Å; G300-W303 WeakPolarHBondContact O-CA 3.06Å; G300-W303 WeakPolarHBondContact O-CB 3.44Å; G300-W303 PolarHBondContact O-N 2.97Å; E301-W303 PolarHBondContact O-N 3.1Å; E301-W303 VanDerWaalsContact O-N 3.17Å; W303-L306 HydrophobicContact CB-CD1 4.4Å; W303-L306 HydrophobicContact CD2-CD1 3.57Å; W303-L306 HydrophobicContact CE3-CD1 3.18Å; W303-L306 HydrophobicContact CG-CD1 4.09Å; W303-L306 HydrophobicContact CH2-CD1 4.38Å; W303-L306 HydrophobicContact CZ3-CD1 3.63Å; W303-L306 WeakPolarHBondContact O-CB 3.45Å; W303-L306 PolarHBondContact O-N 2.95Å; W303-Y312 HydrophobicContact CH2-CD1 4.27Å; W303-Y312 AromaticContact CH2-CE1 3.38Å; W303-Y312 HydrophobicContact CH2-CE1 3.38Å; W303-Y312 AromaticContact CH2-CZ 3.61Å; W303-Y312 HydrophobicContact CZ3-CD1 4.2Å; W303-Y312 AromaticContact CZ3-CE1 3.66Å; W303-Y312 HydrophobicContact CZ3-CE1 3.66Å; W303-Y312 HydrophobicContact CZ3-CE2 4.45Å; W303-Y312 AromaticContact CZ3-CZ 3.8Å; W303-I329 HydrophobicContact CD2-CD1 4.36Å; W303-I329 HydrophobicContact CE3-CD1 4.38Å; W303-I329 HydrophobicContact CH2-CD1 3.48Å; W303-I329 VanDerWaalsContact CH2-CD1 3.48Å; W303-I329 HydrophobicContact CH2-CG1 3.65Å; W303-I329 HydrophobicContact CZ2-CD1 3.41Å; W303-I329 VanDerWaalsContact CZ2-CD1 3.41Å; W303-I329 HydrophobicContact CZ2-CG1 3.55Å; W303-I329 HydrophobicContact CZ2-CG2 4.34Å; W303-I329 HydrophobicContact CZ3-CD1 3.95Å; W303-L336 HydrophobicContact CH2-CD2 3.93Å; W303-L336 HydrophobicContact CZ2-CD2 4.12Å
304	S	69.5	Low	74.6	Confident	94 Å²	94	55.6 Å²	55.6	66%	0.657	29%	0.292	S	S	*	.	H	α-helix	trans	-74	-15.2	165.7	73.1	0	0	0	0	113	G300 E301	G300-S304 PolarHBondContact O-N 2.82Å; E301-S304 WeakPolarHBondContact O-CB 3.24Å; E301-S304 PolarHBondContact O-N 3Å; E301-S304 PolarHBondContact O-OG 3.04Å
305	E	75.5	Confident	76	Confident	67 Å²	67	49.5 Å²	49.5	31%	0.313	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-5.2	169.4	-51.7	177.2	-158.5	0	0	113	E301 L302 K477 R504	E301-E305 PolarHBondContact O-N 3.39Å; L302-E305 WeakPolarHBondContact O-CB 3.18Å; L302-E305 PolarHBondContact O-N 2.93Å; E305-K477 WeakPolarHBondContact O-CE 3.26Å; E305-K477 PolarHBondContact O-NZ 3.35Å; E305-R504 IonicContact OE1-NH1 2.82Å; E305-R504 IonicContact OE2-CZ 3.16Å; E305-R504 IonicContact OE2-NH1 2.71Å; E305-R504 PolarHBondContact OE2-NH1 3Å
306	L	76.6	Confident	77.5	Confident	14 Å²	14	49.3 Å²	49.3	7%	0.073	26%	0.259	C	S	.	.			trans	-101.4	131.7	-172.6	-75.5	163.1	0	0	0	112.6	W303 D310 I329 K477 F478	W303-L306 HydrophobicContact CB-CD1 4.4Å; W303-L306 HydrophobicContact CD2-CD1 3.57Å; W303-L306 HydrophobicContact CE3-CD1 3.18Å; W303-L306 HydrophobicContact CG-CD1 4.09Å; W303-L306 HydrophobicContact CH2-CD1 4.38Å; W303-L306 HydrophobicContact CZ3-CD1 3.63Å; W303-L306 WeakPolarHBondContact O-CB 3.45Å; W303-L306 PolarHBondContact O-N 2.95Å; L306-D310 WeakPolarHBondContact CA-OD2 3.17Å; L306-D310 HydrophobicContact CD2-CB 3.57Å; L306-D310 WeakPolarHBondContact CD2-OD2 3.28Å; L306-I329 HydrophobicContact CB-CD1 3.54Å; L306-I329 HydrophobicContact CD1-CD1 3.46Å; L306-I329 VanDerWaalsContact CD1-CD1 3.46Å; L306-I329 HydrophobicContact CD2-CD1 3.78Å; L306-I329 HydrophobicContact CG-CD1 3.77Å; L306-K477 HydrophobicContact CD2-CD 3.89Å; L306-F478 HydrophobicContact CD1-CD2 4.15Å; L306-F478 HydrophobicContact CD1-CE2 4.03Å; L306-F478 HydrophobicContact CD2-CD2 3.82Å; L306-F478 HydrophobicContact CD2-CE2 3.63Å; L306-F478 HydrophobicContact CG-CD2 4.26Å; L306-F478 HydrophobicContact CG-CE2 3.8Å
307	E	81.2	Confident	79.2	Confident	139 Å²	139	44.5 Å²	44.5	65%	0.65	24%	0.237	S	C	*	.			trans	-106.8	170.4	-177.9	-62.3	-176.8	-179.6	0	0	111.3	G309 D310	E307-G309 PolarHBondContact O-N 3.33Å; E307-D310 PolarHBondContact N-OD2 3.22Å; E307-D310 WeakPolarHBondContact O-CB 3.44Å; E307-D310 PolarHBondContact O-N 3.31Å
308	E	82.4	Confident	81.1	Confident	127 Å²	127	39.8 Å²	39.8	59%	0.593	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	133	175	-176	165.1	-173.4	0	0	110.9	D310 L331	E308-D310 VanDerWaalsContact C-N 3.32Å; E308-L331 HydrophobicContact CB-CB 4.15Å; E308-L331 HydrophobicContact CB-CD1 3.88Å; E308-L331 HydrophobicContact CB-CG 3.86Å
309	G	83.4	Confident	82.7	Confident	29 Å²	29	35.5 Å²	35.5	30%	0.299	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-13.8	-179.3	0	0	0	0	0	114.7	E307 Q328 I329	E307-G309 PolarHBondContact O-N 3.33Å; G309-Q328 PolarHBondContact O-NE2 2.97Å; G309-I329 PolarHBondContact N-O 2.88Å
310	D	88.9	Confident	84.2	Confident	33 Å²	33	31.8 Å²	31.8	18%	0.176	17%	0.171	C	C	.	.			trans	-56.5	147.1	172.8	-92	-35.5	0	0	0	111.8	L306 E307 E308 Q328 I329 K477	L306-D310 WeakPolarHBondContact CA-OD2 3.17Å; L306-D310 HydrophobicContact CD2-CB 3.57Å; L306-D310 WeakPolarHBondContact CD2-OD2 3.28Å; E307-D310 PolarHBondContact N-OD2 3.22Å; E307-D310 WeakPolarHBondContact O-CB 3.44Å; E307-D310 PolarHBondContact O-N 3.31Å; E308-D310 VanDerWaalsContact C-N 3.32Å; D310-Q328 WeakPolarHBondContact O-CA 3.19Å; D310-I329 HydrophobicContact CB-CD1 4.44Å; D310-I329 PolarHBondContact O-N 3.4Å; D310-K477 HydrophobicContact CB-CD 4.49Å; D310-K477 VanDerWaalsContact OD1-CD 3.26Å; D310-K477 WeakPolarHBondContact OD1-CD 3.25Å; D310-K477 IonicContact OD1-NZ 3.61Å; D310-K477 WeakPolarHBondContact OD2-CD 3.32Å; D310-K477 IonicContact OD2-NZ 3.32Å; D310-K477 PolarHBondContact OD2-NZ 3.32Å
311	R	91.5	Very high	85.8	Confident	54 Å²	54	32 Å²	32	20%	0.204	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.3	-173.9	-56.6	176.9	-172.7	169.1	5.9	112.1	H327 Q328 L339 S474 I476 K477	R311-H327 VanDerWaalsContact CA-O 3.3Å; R311-H327 WeakPolarHBondContact CA-O 3.5Å; R311-Q328 HydrophobicContact CG-CB 4.45Å; R311-L339 HydrophobicContact CG-CD1 3.77Å; R311-S474 VanDerWaalsContact CD-O 3.25Å; R311-S474 WeakPolarHBondContact CD-O 3.31Å; R311-S474 PolarHBondContact NH1-O 3.37Å; R311-S474 PolarHBondContact NH1-OG 2.91Å; R311-I476 HydrophobicContact CB-CD1 3.81Å; R311-K477 PolarHBondContact O-N 3.38Å
312	Y	92.5	Very high	87.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.6	175.8	66.1	-83.9	0	0	0	111.6	S241 W303 V314 H327 I329 L336 F478 F480	S241-Y312 WeakPolarHBondContact OG-CE2 3.21Å; S241-Y312 PolarHBondContact OG-OH 2.9Å; W303-Y312 HydrophobicContact CH2-CD1 4.27Å; W303-Y312 AromaticContact CH2-CE1 3.38Å; W303-Y312 HydrophobicContact CH2-CE1 3.38Å; W303-Y312 AromaticContact CH2-CZ 3.61Å; W303-Y312 HydrophobicContact CZ3-CD1 4.2Å; W303-Y312 AromaticContact CZ3-CE1 3.66Å; W303-Y312 HydrophobicContact CZ3-CE1 3.66Å; W303-Y312 HydrophobicContact CZ3-CE2 4.45Å; W303-Y312 AromaticContact CZ3-CZ 3.8Å; Y312-V314 HydrophobicContact CD2-CG2 3.97Å; Y312-V314 HydrophobicContact CE2-CG2 3.7Å; Y312-H327 HydrophobicContact CD1-CB 4.2Å; Y312-H327 HydrophobicContact CD2-CB 4.43Å; Y312-H327 HydrophobicContact CE1-CB 3.55Å; Y312-H327 HydrophobicContact CE2-CB 3.87Å; Y312-H327 AromaticContact CE2-ND1 3.52Å; Y312-H327 AromaticContact CZ-CG 3.79Å; Y312-H327 AromaticContact CZ-ND1 3.77Å; Y312-H327 PolarHBondContact N-O 3.48Å; Y312-H327 PolarHBondContact O-N 3.15Å; Y312-H327 WeakPolarHBondContact OH-CB 3.23Å; Y312-I329 HydrophobicContact CD1-CD1 4.31Å; Y312-I329 HydrophobicContact CD1-CG1 4.33Å; Y312-I329 HydrophobicContact CE1-CD1 4.18Å; Y312-I329 HydrophobicContact CE1-CG1 3.89Å; Y312-L336 HydrophobicContact CE1-CD2 4.45Å; Y312-L336 WeakPolarHBondContact OH-CD1 3.21Å; Y312-L336 WeakPolarHBondContact OH-CD2 3.36Å; Y312-F478 CarbonylContact C-O 3.53Å; Y312-F478 WeakPolarHBondContact CA-O 3.39Å; Y312-F478 VanDerWaalsContact CB-O 3.3Å; Y312-F478 WeakPolarHBondContact CB-O 3.41Å; Y312-F480 AromaticContact CD2-CD2 3.65Å; Y312-F480 HydrophobicContact CD2-CD2 3.65Å; Y312-F480 AromaticContact CD2-CE2 3.61Å; Y312-F480 HydrophobicContact CD2-CE2 3.61Å; Y312-F480 HydrophobicContact CE2-CD2 4.27Å; Y312-F480 HydrophobicContact CE2-CE2 4.19Å; Y312-F480 HydrophobicContact CG-CD2 4.39Å; Y312-F480 HydrophobicContact CG-CE2 4.02Å
313	V	94.6	Very high	88.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.7	174.4	176.5	0	0	0	0	108.7	T325 V326 F468 V473 I476 F478 L479 F480	V313-T325 WeakPolarHBondContact CA-O 3.3Å; V313-V326 HydrophobicContact CG2-CG1 4.45Å; V313-V326 HydrophobicContact CG2-CG2 4.26Å; V313-F468 HydrophobicContact CG2-CE2 4.06Å; V313-F468 HydrophobicContact CG2-CZ 4.21Å; V313-V473 HydrophobicContact CG2-CG1 4.46Å; V313-I476 HydrophobicContact CB-CG2 4.4Å; V313-I476 HydrophobicContact CG2-CD1 4.11Å; V313-I476 HydrophobicContact CG2-CG1 4.13Å; V313-I476 HydrophobicContact CG2-CG2 3.81Å; V313-F478 PolarHBondContact N-O 3.46Å; V313-L479 HydrophobicContact CB-CD1 4.44Å; V313-L479 HydrophobicContact CB-CG 4.34Å; V313-L479 HydrophobicContact CG1-CD1 4.31Å; V313-L479 HydrophobicContact CG1-CG 4.43Å; V313-L479 WeakPolarHBondContact O-CA 3.47Å; V313-F480 PolarHBondContact O-N 3.16Å
314	V	94.9	Very high	89.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.3	161.7	-175.3	0	0	0	0	107.7	P237 A240 Y312 L324 T325 F480 V482	P237-V314 HydrophobicContact CB-CB 4.48Å; P237-V314 HydrophobicContact CB-CG1 4.14Å; A240-V314 HydrophobicContact CB-CG1 4.05Å; Y312-V314 HydrophobicContact CD2-CG2 3.97Å; Y312-V314 HydrophobicContact CE2-CG2 3.7Å; V314-L324 VanDerWaalsContact O-CA 3.31Å; V314-L324 WeakPolarHBondContact O-CA 3.35Å; V314-T325 PolarHBondContact N-O 3.33Å; V314-T325 PolarHBondContact O-N 3.08Å; V314-F480 HydrophobicContact CG1-CB 4.5Å; V314-F480 HydrophobicContact CG2-CB 4.34Å; V314-F480 HydrophobicContact CG2-CD2 4.25Å; V314-V482 HydrophobicContact CG1-CG2 3.87Å
315	M	95.8	Very high	90.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	92.3	-174.8	-178.6	-175.3	-176.9	0	0	108.6	C317 V322 L324 I460 L464 L479 F480 L481 V482 V495	M315-C317 PolarHBondContact O-N 3.37Å; M315-V322 HydrophobicContact CE-CG1 4.28Å; M315-V322 HydrophobicContact CG-CG1 4.38Å; M315-L324 HydrophobicContact CB-CD2 4.49Å; M315-L324 HydrophobicContact CB-CG 4.48Å; M315-L324 HydrophobicContact CG-CD2 4.08Å; M315-L324 HydrophobicContact CG-CG 4.14Å; M315-I460 HydrophobicContact CE-CG2 3.1Å; M315-L464 HydrophobicContact CE-CD2 4.05Å; M315-L464 HydrophobicContact SD-CD1 4.39Å; M315-L464 HydrophobicContact SD-CD2 3.87Å; M315-L479 HydrophobicContact CB-CD2 4.23Å; M315-L479 HydrophobicContact CB-CG 4.5Å; M315-L479 HydrophobicContact SD-CD1 4.24Å; M315-L479 HydrophobicContact SD-CD2 4.14Å; M315-F480 PolarHBondContact N-O 3.46Å; M315-L481 HydrophobicContact CG-CD1 4.2Å; M315-L481 HydrophobicContact SD-CD1 3.84Å; M315-V482 PolarHBondContact O-N 3.49Å; M315-V495 HydrophobicContact CE-CG2 4.18Å; M315-V495 HydrophobicContact SD-CG2 4.43Å
316	D	96.4	Very high	91.4	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.027	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	106.9	176.7	-170	-7.3	0	0	0	110.2	E236 P237 G318 V322 D323 V482 G483 I515	E236-D316 WeakPolarHBondContact CB-OD2 3.24Å; P237-D316 HydrophobicContact CB-CB 4.35Å; D316-G318 PolarHBondContact O-N 3.34Å; D316-V322 CarbonylContact O-C 3.6Å; D316-V322 VanDerWaalsContact O-CA 3.23Å; D316-V322 WeakPolarHBondContact O-CA 3.48Å; D316-D323 HydrophobicContact CB-CB 4.43Å; D316-D323 PolarHBondContact N-O 3.11Å; D316-D323 PolarHBondContact O-N 3.44Å; D316-V482 HydrophobicContact CB-CG2 3.78Å; D316-G483 WeakPolarHBondContact OD1-CA 3.34Å; D316-I515 VanDerWaalsContact OD2-CG1 3.23Å; D316-I515 WeakPolarHBondContact OD2-CG1 3.43Å
317	C	96.1	Very high	92	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	85.7	174.8	-61.1	0	0	0	0	108.5	M315 L481 V482 G483 G484 F485 A486 L491	M315-C317 PolarHBondContact O-N 3.37Å; C317-L481 HydrophobicContact CB-CD1 4.47Å; C317-L481 WeakPolarHBondContact SG-CD1 3.49Å; C317-V482 PolarHBondContact N-O 3.42Å; C317-G483 CarbonylContact O-C 3.52Å; C317-G484 PolarHBondContact O-N 3.35Å; C317-F485 HydrophobicContact CB-CB 3.96Å; C317-F485 HydrophobicContact CB-CD1 4.46Å; C317-F485 WeakPolarHBondContact O-CA 3.49Å; C317-F485 VanDerWaalsContact O-CB 3.22Å; C317-F485 WeakPolarHBondContact O-CB 3.47Å; C317-F485 PolarHBondContact O-N 3.45Å; C317-A486 HydrophobicContact CB-CB 4.43Å; C317-L491 HydrophobicContact CB-CD2 3.9Å
318	G	94.3	Very high	92.3	Very high	12 Å²	12	15.2 Å²	15.2	12%	0.124	8%	0.084	C	C	.	.			trans	-77.3	177.9	178.9	0	0	0	0	0	113.8	D316 T321 G348 S349	D316-G318 PolarHBondContact O-N 3.34Å; G318-T321 CarbonylContact C-O 3.55Å; G318-T321 VanDerWaalsContact CA-O 3.3Å; G318-T321 WeakPolarHBondContact CA-O 3.35Å; G318-T321 PolarHBondContact N-O 2.89Å; G318-G348 VanDerWaalsContact O-CA 3.28Å; G318-G348 WeakPolarHBondContact O-CA 3.49Å; G318-S349 PolarHBondContact O-N 3.09Å
319	G	92.9	Very high	92.3	Very high	7 Å²	7	9.2 Å²	9.2	7%	0.072	6%	0.056	C	C	.	.	S	Bend	trans	-70	-31.9	171.8	0	0	0	0	0	113.1	G348 S349 I350	G319-G348 CarbonylContact O-C 3.54Å; G319-G348 VanDerWaalsContact O-C 3.26Å; G319-S349 PolarHBondContact O-N 3.47Å; G319-I350 WeakPolarHBondContact O-CG1 3.44Å; G319-I350 WeakPolarHBondContact O-CG2 3.16Å; G319-I350 PolarHBondContact O-N 3.08Å
320	G	93.5	Very high	91.9	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.01	6%	0.062	C	C	.	.	S	Bend	trans	-111.6	-43.5	-175.2	0	0	0	0	0	115.1	M139 P346 G348	M139-G320 WeakPolarHBondContact CE-O 3.12Å; M139-G320 WeakPolarHBondContact SD-CA 3.41Å; G320-P346 CarbonylContact O-C 3.34Å; G320-G348 PolarHBondContact O-N 3.36Å
321	T	94.9	Very high	90.9	Very high	4 Å²	4	15.6 Å²	15.6	3%	0.025	7%	0.074	C	C	.	.			trans	-118.1	163.7	179.3	55	0	0	0	0	110.4	M139 I204 G318 D323 G345	M139-T321 HydrophobicContact CE-CG2 4.39Å; M139-T321 HydrophobicContact SD-CG2 4.49Å; I204-T321 HydrophobicContact CD1-CG2 3.94Å; G318-T321 CarbonylContact C-O 3.55Å; G318-T321 VanDerWaalsContact CA-O 3.3Å; G318-T321 WeakPolarHBondContact CA-O 3.35Å; G318-T321 PolarHBondContact N-O 2.89Å; T321-D323 WeakPolarHBondContact CB-OD2 3.49Å; T321-D323 PolarHBondContact OG1-OD2 3.3Å; T321-G345 CarbonylContact C-O 3.53Å; T321-G345 VanDerWaalsContact CA-O 3.28Å; T321-G345 WeakPolarHBondContact CA-O 3.45Å
322	V	95.7	Very high	89.4	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.3	160.1	-179.4	0	0	0	0	106.9	M315 D316 L324 G344 G345 I460	M315-V322 HydrophobicContact CE-CG1 4.28Å; M315-V322 HydrophobicContact CG-CG1 4.38Å; D316-V322 CarbonylContact O-C 3.6Å; D316-V322 VanDerWaalsContact O-CA 3.23Å; D316-V322 WeakPolarHBondContact O-CA 3.48Å; V322-L324 HydrophobicContact CG1-CD1 3.97Å; V322-G344 CarbonylContact O-C 3.57Å; V322-G344 WeakPolarHBondContact O-CA 3.4Å; V322-G345 PolarHBondContact N-O 2.93Å; V322-G345 PolarHBondContact O-N 3.26Å; V322-I460 HydrophobicContact CG2-CD1 3.88Å; V322-I460 HydrophobicContact CG2-CG1 3.96Å
323	D	94.9	Very high	87.9	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.3	-171.5	-75	-109.8	0	0	0	109.8	P202 A203 I204 P237 D316 T321	P202-D323 WeakPolarHBondContact CA-OD1 3.18Å; P202-D323 VanDerWaalsContact CB-OD1 3.31Å; P202-D323 WeakPolarHBondContact CB-OD1 3.46Å; A203-D323 PolarHBondContact N-OD1 2.79Å; I204-D323 WeakPolarHBondContact CG1-OD1 3.25Å; I204-D323 WeakPolarHBondContact CG2-OD1 3.47Å; I204-D323 PolarHBondContact N-OD1 2.84Å; P237-D323 HydrophobicContact CG-CB 4.18Å; D316-D323 HydrophobicContact CB-CB 4.43Å; D316-D323 PolarHBondContact N-O 3.11Å; D316-D323 PolarHBondContact O-N 3.44Å; T321-D323 WeakPolarHBondContact CB-OD2 3.49Å; T321-D323 PolarHBondContact OG1-OD2 3.3Å
324	L	93.9	Very high	86.6	Confident	4 Å²	4	23.7 Å²	23.7	2%	0.021	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.4	-174.6	-58.9	90.8	0	0	0	111.2	V314 M315 V322 A342 S343 L464 L467	V314-L324 VanDerWaalsContact O-CA 3.31Å; V314-L324 WeakPolarHBondContact O-CA 3.35Å; M315-L324 HydrophobicContact CB-CD2 4.49Å; M315-L324 HydrophobicContact CB-CG 4.48Å; M315-L324 HydrophobicContact CG-CD2 4.08Å; M315-L324 HydrophobicContact CG-CG 4.14Å; V322-L324 HydrophobicContact CG1-CD1 3.97Å; L324-A342 WeakPolarHBondContact O-CA 3.42Å; L324-S343 PolarHBondContact N-O 3.22Å; L324-S343 PolarHBondContact O-N 3.42Å; L324-L464 HydrophobicContact CD2-CD1 3.54Å; L324-L467 HydrophobicContact CB-CD2 4.02Å; L324-L467 HydrophobicContact CD2-CD2 3.75Å
325	T	92.4	Very high	85.6	Confident	2 Å²	2	25 Å²	25	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140	173.9	50.5	0	0	0	0	110.7	A203 P237 V313 V314 H327 A342	A203-T325 HydrophobicContact CB-CG2 4.43Å; P237-T325 HydrophobicContact CB-CG2 4.12Å; P237-T325 HydrophobicContact CG-CG2 3.69Å; V313-T325 WeakPolarHBondContact CA-O 3.3Å; V314-T325 PolarHBondContact N-O 3.33Å; V314-T325 PolarHBondContact O-N 3.08Å; T325-H327 PolarHBondContact OG1-CE1 2.99Å; T325-A342 HydrophobicContact CG2-CB 3.95Å
326	V	92.4	Very high	84.6	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.3	-179.7	-169.4	0	0	0	0	108.8	V313 L339 L467 V473 I476	V313-V326 HydrophobicContact CG2-CG1 4.45Å; V313-V326 HydrophobicContact CG2-CG2 4.26Å; V326-L339 HydrophobicContact CB-CB 4.5Å; V326-L339 HydrophobicContact CG1-CB 4.24Å; V326-L339 HydrophobicContact CG1-CD1 4.48Å; V326-L339 PolarHBondContact O-N 3.33Å; V326-L467 HydrophobicContact CG2-CD1 4.18Å; V326-L467 HydrophobicContact CG2-CD2 4.21Å; V326-L467 HydrophobicContact CG2-CG 4.47Å; V326-V473 HydrophobicContact CG1-CG1 4.07Å; V326-V473 HydrophobicContact CG1-CG2 4.25Å; V326-V473 HydrophobicContact CG2-CG1 4.08Å; V326-V473 HydrophobicContact CG2-CG2 3.97Å; V326-I476 HydrophobicContact CG1-CD1 4.07Å
327	H	89.3	Confident	83.9	Confident	3 Å²	3	27 Å²	27	1%	0.014	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.9	-174.5	-60.5	107.1	0	0	0	111.7	R311 Y312 T325 K337	R311-H327 VanDerWaalsContact CA-O 3.3Å; R311-H327 WeakPolarHBondContact CA-O 3.5Å; Y312-H327 HydrophobicContact CD1-CB 4.2Å; Y312-H327 HydrophobicContact CD2-CB 4.43Å; Y312-H327 HydrophobicContact CE1-CB 3.55Å; Y312-H327 HydrophobicContact CE2-CB 3.87Å; Y312-H327 AromaticContact CE2-ND1 3.52Å; Y312-H327 AromaticContact CZ-CG 3.79Å; Y312-H327 AromaticContact CZ-ND1 3.77Å; Y312-H327 PolarHBondContact N-O 3.48Å; Y312-H327 PolarHBondContact O-N 3.15Å; Y312-H327 WeakPolarHBondContact OH-CB 3.23Å; T325-H327 PolarHBondContact OG1-CE1 2.99Å; H327-K337 WeakPolarHBondContact CA-O 3.27Å
328	Q	87.6	Confident	83.4	Confident	36 Å²	36	27.8 Å²	27.8	17%	0.168	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.8	164.9	-179.5	170.2	63.3	0	0	110.3	G309 D310 R311 K337 L339	G309-Q328 PolarHBondContact O-NE2 2.97Å; D310-Q328 WeakPolarHBondContact O-CA 3.19Å; R311-Q328 HydrophobicContact CG-CB 4.45Å; Q328-K337 PolarHBondContact N-O 2.93Å; Q328-K337 PolarHBondContact O-N 2.9Å; Q328-L339 HydrophobicContact CB-CD1 3.84Å; Q328-L339 HydrophobicContact CB-CD2 3.72Å; Q328-L339 HydrophobicContact CB-CG 3.69Å
329	I	81.9	Confident	82.8	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	135.6	179.6	-62.1	172.3	0	0	0	110.4	W303 L306 G309 D310 Y312 L331	W303-I329 HydrophobicContact CD2-CD1 4.36Å; W303-I329 HydrophobicContact CE3-CD1 4.38Å; W303-I329 HydrophobicContact CH2-CD1 3.48Å; W303-I329 VanDerWaalsContact CH2-CD1 3.48Å; W303-I329 HydrophobicContact CH2-CG1 3.65Å; W303-I329 HydrophobicContact CZ2-CD1 3.41Å; W303-I329 VanDerWaalsContact CZ2-CD1 3.41Å; W303-I329 HydrophobicContact CZ2-CG1 3.55Å; W303-I329 HydrophobicContact CZ2-CG2 4.34Å; W303-I329 HydrophobicContact CZ3-CD1 3.95Å; L306-I329 HydrophobicContact CB-CD1 3.54Å; L306-I329 HydrophobicContact CD1-CD1 3.46Å; L306-I329 VanDerWaalsContact CD1-CD1 3.46Å; L306-I329 HydrophobicContact CD2-CD1 3.78Å; L306-I329 HydrophobicContact CG-CD1 3.77Å; G309-I329 PolarHBondContact N-O 2.88Å; D310-I329 HydrophobicContact CB-CD1 4.44Å; D310-I329 PolarHBondContact O-N 3.4Å; Y312-I329 HydrophobicContact CD1-CD1 4.31Å; Y312-I329 HydrophobicContact CD1-CG1 4.33Å; Y312-I329 HydrophobicContact CE1-CD1 4.18Å; Y312-I329 HydrophobicContact CE1-CG1 3.89Å; I329-L331 HydrophobicContact CG2-CD2 4.43Å
330	R	76.5	Confident	82.4	Confident	113 Å²	113	30 Å²	30	43%	0.426	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.7	170.2	-70.6	-174.5	162.4	-157.5	-12.3	110.8	G334 H335	R330-G334 CarbonylContact O-C 3.46Å; R330-G334 WeakPolarHBondContact O-CA 3.08Å; R330-G334 PolarHBondContact O-N 3.32Å; R330-H335 PolarHBondContact N-O 2.6Å; R330-H335 PolarHBondContact O-N 3.49Å
331	L	67.2	Low	81.9	Confident	82 Å²	82	32.9 Å²	32.9	43%	0.429	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	164.8	174.8	-69.4	-173	0	0	0	110.5	E308 I329	E308-L331 HydrophobicContact CB-CB 4.15Å; E308-L331 HydrophobicContact CB-CD1 3.88Å; E308-L331 HydrophobicContact CB-CG 3.86Å; I329-L331 HydrophobicContact CG2-CD2 4.43Å
332	P	59.2	Low	81.6	Confident	111 Å²	111	34 Å²	34	72%	0.721	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	cis	-80.4	-24.4	0.7	32.6	-34.9	0	0	0	114.5	G334	P332-G334 VanDerWaalsContact C-N 3.31Å; P332-G334 PolarHBondContact O-N 2.99Å
333	E	62.6	Low	81.4	Confident	113 Å²	113	34.8 Å²	34.8	53%	0.528	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-6.5	-171.4	-69.2	141.4	-129.9	0	0	114.1	H335 K530	E333-H335 WeakPolarHBondContact CB-CD2 3.4Å; E333-H335 WeakPolarHBondContact CB-NE2 3.43Å; E333-H335 IonicContact OE2-CD2 2.68Å; E333-H335 PolarHBondContact OE2-CD2 2.87Å; E333-H335 IonicContact OE2-CE1 2.68Å; E333-H335 IonicContact OE2-NE2 2.91Å; E333-H335 PolarHBondContact OE2-NE2 3.03Å; E333-K530 IonicContact OE2-NZ 3.17Å; E333-K530 PolarHBondContact OE2-NZ 3.22Å
334	G	65.6	Low	81.2	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.01	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	31.9	-179.1	0	0	0	0	0	113.7	R245 R330 P332	R245-G334 PolarHBondContact NH1-O 2.87Å; R245-G334 PolarHBondContact NH2-O 3.36Å; R330-G334 CarbonylContact O-C 3.46Å; R330-G334 WeakPolarHBondContact O-CA 3.08Å; R330-G334 PolarHBondContact O-N 3.32Å; P332-G334 VanDerWaalsContact C-N 3.31Å; P332-G334 PolarHBondContact O-N 2.99Å
335	H	74.8	Confident	81.2	Confident	28 Å²	28	35.8 Å²	35.8	13%	0.13	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	148.6	-177.9	-75.5	-58.5	0	0	0	112.8	R330 E333 K530	R330-H335 PolarHBondContact N-O 2.6Å; R330-H335 PolarHBondContact O-N 3.49Å; E333-H335 WeakPolarHBondContact CB-CD2 3.4Å; E333-H335 WeakPolarHBondContact CB-NE2 3.43Å; E333-H335 IonicContact OE2-CD2 2.68Å; E333-H335 PolarHBondContact OE2-CD2 2.87Å; E333-H335 IonicContact OE2-CE1 2.68Å; E333-H335 IonicContact OE2-NE2 2.91Å; E333-H335 PolarHBondContact OE2-NE2 3.03Å; H335-K530 HydrophobicContact CB-CB 4.35Å; H335-K530 HydrophobicContact CB-CD 4.2Å; H335-K530 HydrophobicContact CB-CG 4.31Å; H335-K530 VanDerWaalsContact CD2-CE 3.48Å; H335-K530 WeakPolarHBondContact CD2-CE 3.42Å; H335-K530 PolarHBondContact CD2-NZ 3.3Å; H335-K530 VanDerWaalsContact CE1-CE 3.42Å; H335-K530 WeakPolarHBondContact CE1-CE 3.22Å; H335-K530 WeakPolarHBondContact NE2-CE 3.43Å; H335-K530 PolarHBondContact NE2-NZ 3.12Å
336	L	75.6	Confident	81.1	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.4	179.1	-55.6	-168.8	0	0	0	110.7	W303 Y312 V531	W303-L336 HydrophobicContact CH2-CD2 3.93Å; W303-L336 HydrophobicContact CZ2-CD2 4.12Å; Y312-L336 HydrophobicContact CE1-CD2 4.45Å; Y312-L336 WeakPolarHBondContact OH-CD1 3.21Å; Y312-L336 WeakPolarHBondContact OH-CD2 3.36Å; L336-V531 PolarHBondContact O-N 3.15Å
337	K	81.9	Confident	81.1	Confident	44 Å²	44	41.8 Å²	41.8	19%	0.191	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.9	162.2	177.9	-177.3	176	-168.1	0	108.7	H327 Q328 L339 V531	H327-K337 WeakPolarHBondContact CA-O 3.27Å; Q328-K337 PolarHBondContact N-O 2.93Å; Q328-K337 PolarHBondContact O-N 2.9Å; K337-L339 HydrophobicContact CD-CD2 4.36Å; K337-L339 PolarHBondContact O-N 2.96Å; K337-V531 HydrophobicContact CB-CB 4.39Å; K337-V531 HydrophobicContact CG-CB 4.16Å; K337-V531 HydrophobicContact CG-CG1 4.09Å
338	E	84	Confident	81.3	Confident	17 Å²	17	41.7 Å²	41.7	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	121.9	167.3	-170.5	-178.6	-163.3	0	0	109.6	Y340 K341 A342 V531 R532 R533	E338-Y340 WeakPolarHBondContact CG-O 3.24Å; E338-K341 WeakPolarHBondContact OE1-CA 3.34Å; E338-A342 PolarHBondContact OE1-N 2.87Å; E338-V531 PolarHBondContact N-O 2.98Å; E338-R532 WeakPolarHBondContact OE2-CA 3.41Å; E338-R533 PolarHBondContact OE2-N 3.26Å
339	L	82.8	Confident	81.7	Confident	20 Å²	20	40.4 Å²	40.4	11%	0.105	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-35.6	178.2	-71.9	-171.5	0	0	0	112.6	R311 V326 Q328 K337 R533	R311-L339 HydrophobicContact CG-CD1 3.77Å; V326-L339 HydrophobicContact CB-CB 4.5Å; V326-L339 HydrophobicContact CG1-CB 4.24Å; V326-L339 HydrophobicContact CG1-CD1 4.48Å; V326-L339 PolarHBondContact O-N 3.33Å; Q328-L339 HydrophobicContact CB-CD1 3.84Å; Q328-L339 HydrophobicContact CB-CD2 3.72Å; Q328-L339 HydrophobicContact CB-CG 3.69Å; K337-L339 HydrophobicContact CD-CD2 4.36Å; K337-L339 PolarHBondContact O-N 2.96Å; L339-R533 WeakPolarHBondContact O-CD 3.46Å; L339-R533 PolarHBondContact O-NH1 3.34Å
340	Y	84.2	Confident	82.4	Confident	46 Å²	46	40.5 Å²	40.5	18%	0.18	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.9	-177.8	-168	-94.8	0	0	0	108.2	E338 L467 K470 E472 V473	E338-Y340 WeakPolarHBondContact CG-O 3.24Å; Y340-L467 HydrophobicContact CD1-CD1 3.67Å; Y340-L467 HydrophobicContact CE1-CD1 3.88Å; Y340-L467 HydrophobicContact CG-CD1 4.33Å; Y340-K470 HydrophobicContact CE2-CB 4.48Å; Y340-K470 HydrophobicContact CE2-CG 4.09Å; Y340-E472 HydrophobicContact CD2-CB 4.49Å; Y340-V473 HydrophobicContact CG-CG2 4.35Å
341	K	83	Confident	83.3	Confident	61 Å²	61	35.8 Å²	35.8	27%	0.265	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	141.7	-178.9	56.7	173.2	163.1	-126.3	0	111	E338 S343 D576	E338-K341 WeakPolarHBondContact OE1-CA 3.34Å; K341-S343 PolarHBondContact O-N 3.07Å; K341-D576 VanDerWaalsContact CD-OD1 3.25Å; K341-D576 WeakPolarHBondContact CD-OD1 3.01Å; K341-D576 WeakPolarHBondContact CE-OD1 3.42Å; K341-D576 IonicContact NZ-OD1 3.4Å; K341-D576 PolarHBondContact NZ-OD1 2.71Å; K341-D576 IonicContact NZ-OD2 3.04Å; K341-D576 PolarHBondContact NZ-OD2 3.01Å
342	A	87.4	Confident	84.8	Confident	27 Å²	27	31.9 Å²	31.9	22%	0.223	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-44	128.9	172.9	0	0	0	0	0	112.7	A203 L324 T325 E338	A203-A342 HydrophobicContact CB-CB 3.47Å; A203-A342 VanDerWaalsContact CB-CB 3.47Å; L324-A342 WeakPolarHBondContact O-CA 3.42Å; T325-A342 HydrophobicContact CG2-CB 3.95Å; E338-A342 PolarHBondContact OE1-N 2.87Å
343	S	91.7	Very high	86.6	Confident	18 Å²	18	26.8 Å²	26.8	13%	0.126	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	166.7	-175.5	72.6	0	0	0	0	111	I204 L324 K341 H463	I204-S343 WeakPolarHBondContact CG2-O 3.42Å; L324-S343 PolarHBondContact N-O 3.22Å; L324-S343 PolarHBondContact O-N 3.42Å; K341-S343 PolarHBondContact O-N 3.07Å; S343-H463 PolarHBondContact OG-NE2 3.17Å
344	G	92.4	Very high	88.2	Confident	22 Å²	22	27.1 Å²	27.1	23%	0.227	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.7	-157.1	-179.6	0	0	0	0	0	112.3	V322 H463	V322-G344 CarbonylContact O-C 3.57Å; V322-G344 WeakPolarHBondContact O-CA 3.4Å; G344-H463 PolarHBondContact N-CE1 2.68Å; G344-H463 VanDerWaalsContact N-CE1 3.32Å; G344-H463 PolarHBondContact N-NE2 2.8Å
345	G	92.1	Very high	89.8	Confident	3 Å²	3	29 Å²	29	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	-176.8	-177.1	0	0	0	0	0	114.7	T321 V322 Y347	T321-G345 CarbonylContact C-O 3.53Å; T321-G345 VanDerWaalsContact CA-O 3.28Å; T321-G345 WeakPolarHBondContact CA-O 3.45Å; V322-G345 PolarHBondContact N-O 2.93Å; V322-G345 PolarHBondContact O-N 3.26Å; G345-Y347 PolarHBondContact O-N 3.12Å
346	P	92.3	Very high	90.9	Very high	66 Å²	66	27.7 Å²	27.7	43%	0.429	14%	0.144	S	C	.	.	S	Bend	trans	-77.9	47.5	-178.2	34.6	-37.2	0	0	0	112.5	M139 G320	M139-P346 HydrophobicContact CE-CB 4Å; G320-P346 CarbonylContact O-C 3.34Å
347	Y	91	Very high	91.9	Very high	64 Å²	64	29.8 Å²	29.8	25%	0.251	15%	0.154	S	C	.	.			trans	-99.4	19.2	-174	-41.6	-47.4	0	0	0	113.1	G345 T456 H459 H463	G345-Y347 PolarHBondContact O-N 3.12Å; Y347-T456 WeakPolarHBondContact O-CG2 3.32Å; Y347-H459 HydrophobicContact CD1-CB 3.67Å; Y347-H459 HydrophobicContact CD2-CB 4.41Å; Y347-H459 HydrophobicContact CE1-CB 3.93Å; Y347-H459 HydrophobicContact CG-CB 3.94Å; Y347-H463 HydrophobicContact CE2-CB 4.22Å
348	G	94.5	Very high	92.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-69.4	173.9	-178.1	0	0	0	0	0	113.9	G318 G319 G320 I350 G351	G318-G348 VanDerWaalsContact O-CA 3.28Å; G318-G348 WeakPolarHBondContact O-CA 3.49Å; G319-G348 CarbonylContact O-C 3.54Å; G319-G348 VanDerWaalsContact O-C 3.26Å; G320-G348 PolarHBondContact O-N 3.36Å; G348-I350 PolarHBondContact O-N 3.36Å; G348-G351 PolarHBondContact O-N 2.92Å
349	S	95.5	Very high	93.3	Very high	10 Å²	10	33.1 Å²	33.1	7%	0.07	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-10.8	-174.5	75.6	0	0	0	0	116.6	G318 G319 G351 V352 K391	G318-S349 PolarHBondContact O-N 3.09Å; G319-S349 PolarHBondContact O-N 3.47Å; S349-G351 PolarHBondContact O-N 3.32Å; S349-V352 PolarHBondContact O-N 3.19Å; S349-K391 PolarHBondContact O-NZ 3.2Å; S349-K391 VanDerWaalsContact O-NZ 3.17Å
350	I	95.5	Very high	94	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-66.7	-21.1	167.5	62.8	178.4	0	0	0	113.1	T64 K136 M139 G319 G348 V352 D353 Y354	T64-I350 HydrophobicContact CG2-CG2 3.93Å; K136-I350 HydrophobicContact CD-CG2 3.86Å; K136-I350 HydrophobicContact CG-CG2 4.37Å; M139-I350 HydrophobicContact CE-CD1 4.17Å; M139-I350 HydrophobicContact CG-CD1 3.71Å; M139-I350 HydrophobicContact SD-CD1 4.09Å; G319-I350 WeakPolarHBondContact O-CG1 3.44Å; G319-I350 WeakPolarHBondContact O-CG2 3.16Å; G319-I350 PolarHBondContact O-N 3.08Å; G348-I350 PolarHBondContact O-N 3.36Å; I350-V352 PolarHBondContact O-N 2.79Å; I350-D353 WeakPolarHBondContact O-CB 3.34Å; I350-D353 PolarHBondContact O-N 2.66Å; I350-Y354 HydrophobicContact CB-CE2 4.4Å; I350-Y354 HydrophobicContact CD1-CE2 4.2Å; I350-Y354 HydrophobicContact CG1-CE2 4.08Å; I350-Y354 VanDerWaalsContact O-CD2 3.31Å; I350-Y354 WeakPolarHBondContact O-CD2 3.31Å; I350-Y354 PolarHBondContact O-N 3.2Å; I350-Y354 VanDerWaalsContact O-N 3.12Å
351	G	96.6	Very high	94.6	Very high	14 Å²	14	30.6 Å²	30.6	14%	0.144	16%	0.159	C	C	.	.	H	α-helix	trans	-57.1	-39.3	173	0	0	0	0	0	112	G348 S349 D353 Y354 E355 T456	G348-G351 PolarHBondContact O-N 2.92Å; S349-G351 PolarHBondContact O-N 3.32Å; G351-D353 VanDerWaalsContact C-N 3.32Å; G351-D353 PolarHBondContact O-N 2.59Å; G351-Y354 PolarHBondContact O-N 2.93Å; G351-E355 PolarHBondContact O-N 3.13Å; G351-E355 VanDerWaalsContact O-N 3.12Å; G351-T456 VanDerWaalsContact C-OG1 3.32Å; G351-T456 WeakPolarHBondContact CA-OG1 3.36Å
352	V	98	Very high	95.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.2	-32.4	176.1	-168.1	0	0	0	0	111.9	S349 I350 E355 F356 F387 K391 L452 F453 T456 F485	S349-V352 PolarHBondContact O-N 3.19Å; I350-V352 PolarHBondContact O-N 2.79Å; V352-E355 PolarHBondContact O-N 2.69Å; V352-F356 PolarHBondContact O-N 3.43Å; V352-F387 HydrophobicContact CG1-CZ 4.14Å; V352-K391 HydrophobicContact CB-CD 3.76Å; V352-K391 HydrophobicContact CG1-CD 3.68Å; V352-K391 HydrophobicContact CG1-CG 4.05Å; V352-K391 HydrophobicContact CG2-CD 4.45Å; V352-L452 HydrophobicContact CG1-CB 3.86Å; V352-F453 HydrophobicContact CG1-CD2 3.6Å; V352-F453 HydrophobicContact CG1-CE2 3.66Å; V352-F453 HydrophobicContact CG1-CG 4.08Å; V352-F453 HydrophobicContact CG1-CZ 4.16Å; V352-F453 HydrophobicContact CG2-CD1 4.05Å; V352-F453 HydrophobicContact CG2-CD2 4.48Å; V352-F453 HydrophobicContact CG2-CE1 4.36Å; V352-F453 HydrophobicContact CG2-CG 4.14Å; V352-T456 HydrophobicContact CG2-CG2 4.45Å; V352-T456 PolarHBondContact N-OG1 3.22Å; V352-F485 HydrophobicContact CG2-CZ 4.17Å
353	D	97.2	Very high	95.6	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-67.1	-39.2	174	-60.9	-12.7	0	0	0	111.2	K136 I350 G351 F356 E357 M384 K391	K136-D353 IonicContact NZ-OD2 3.59Å; K136-D353 PolarHBondContact NZ-OD2 2.9Å; I350-D353 WeakPolarHBondContact O-CB 3.34Å; I350-D353 PolarHBondContact O-N 2.66Å; G351-D353 VanDerWaalsContact C-N 3.32Å; G351-D353 PolarHBondContact O-N 2.59Å; D353-F356 PolarHBondContact O-N 2.78Å; D353-E357 PolarHBondContact O-N 3.37Å; D353-M384 HydrophobicContact CB-CE 3.76Å; D353-K391 IonicContact OD1-NZ 3.59Å; D353-K391 PolarHBondContact OD1-NZ 3.5Å; D353-K391 IonicContact OD2-NZ 2.69Å
354	Y	96.7	Very high	95.8	Very high	120 Å²	120	32.2 Å²	32.2	47%	0.471	16%	0.16	S	C	.	.	H	α-helix	trans	-67.7	-37.6	177	-58.7	-44.1	0	0	0	112.1	I350 G351 F356 E357 K358	I350-Y354 HydrophobicContact CB-CE2 4.4Å; I350-Y354 HydrophobicContact CD1-CE2 4.2Å; I350-Y354 HydrophobicContact CG1-CE2 4.08Å; I350-Y354 VanDerWaalsContact O-CD2 3.31Å; I350-Y354 WeakPolarHBondContact O-CD2 3.31Å; I350-Y354 PolarHBondContact O-N 3.2Å; I350-Y354 VanDerWaalsContact O-N 3.12Å; G351-Y354 PolarHBondContact O-N 2.93Å; Y354-F356 VanDerWaalsContact C-N 3.35Å; Y354-E357 PolarHBondContact O-N 2.87Å; Y354-K358 VanDerWaalsContact O-CG 3.31Å; Y354-K358 WeakPolarHBondContact O-CG 3.19Å; Y354-K358 PolarHBondContact O-N 2.71Å
355	E	97.9	Very high	96	Very high	40 Å²	40	32.1 Å²	32.1	19%	0.187	16%	0.158	C	C	.	.	H	α-helix	trans	-66.6	-36.4	172.2	-64.7	-46.6	124.8	0	0	112.2	G351 V352 K358 L359 L452 L455	G351-E355 PolarHBondContact O-N 3.13Å; G351-E355 VanDerWaalsContact O-N 3.12Å; V352-E355 PolarHBondContact O-N 2.69Å; E355-K358 PolarHBondContact O-N 2.77Å; E355-K358 IonicContact OE1-NZ 3.6Å; E355-K358 PolarHBondContact OE1-NZ 2.91Å; E355-K358 WeakPolarHBondContact OE2-CD 3.26Å; E355-K358 IonicContact OE2-NZ 2.8Å; E355-L359 WeakPolarHBondContact O-CB 3.37Å; E355-L359 PolarHBondContact O-N 2.81Å; E355-L452 HydrophobicContact CB-CB 4.26Å; E355-L452 HydrophobicContact CB-CD2 3.99Å; E355-L455 WeakPolarHBondContact OE1-CD2 3.38Å
356	F	97.9	Very high	96.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.5	-41.8	173	-178	-116.7	0	0	0	111.9	V352 D353 Y354 L359 L360 L383 M384 F387 I404 L442 L452	V352-F356 PolarHBondContact O-N 3.43Å; D353-F356 PolarHBondContact O-N 2.78Å; Y354-F356 VanDerWaalsContact C-N 3.35Å; F356-L359 HydrophobicContact CD2-CD2 4.46Å; F356-L359 WeakPolarHBondContact O-CB 3.46Å; F356-L359 PolarHBondContact O-N 3.31Å; F356-L360 HydrophobicContact CD1-CD1 4.07Å; F356-L360 HydrophobicContact CE1-CD1 3.63Å; F356-L360 HydrophobicContact CE1-CG 4.19Å; F356-L360 HydrophobicContact CE2-CD2 4.35Å; F356-L360 HydrophobicContact CE2-CG 4.37Å; F356-L360 HydrophobicContact CZ-CD1 3.96Å; F356-L360 HydrophobicContact CZ-CD2 4.03Å; F356-L360 HydrophobicContact CZ-CG 4.09Å; F356-L360 WeakPolarHBondContact O-CG 3.36Å; F356-L360 PolarHBondContact O-N 2.85Å; F356-L383 HydrophobicContact CE1-CD1 4.45Å; F356-L383 HydrophobicContact CE1-CG 4.47Å; F356-L383 HydrophobicContact CZ-CD1 4.49Å; F356-M384 HydrophobicContact CD1-CE 4.25Å; F356-M384 HydrophobicContact CD1-SD 4.1Å; F356-M384 HydrophobicContact CE1-SD 4.35Å; F356-F387 HydrophobicContact CB-CD1 4.05Å; F356-F387 HydrophobicContact CB-CD2 4.28Å; F356-F387 HydrophobicContact CB-CE1 3.62Å; F356-F387 HydrophobicContact CB-CE2 3.87Å; F356-F387 HydrophobicContact CB-CG 4.36Å; F356-F387 HydrophobicContact CB-CZ 3.53Å; F356-F387 HydrophobicContact CD1-CB 3.85Å; F356-F387 AromaticContact CD1-CD1 3.68Å; F356-F387 HydrophobicContact CD1-CD1 3.68Å; F356-F387 AromaticContact CD1-CD2 3.72Å; F356-F387 HydrophobicContact CD1-CD2 3.72Å; F356-F387 HydrophobicContact CD1-CE1 4.15Å; F356-F387 HydrophobicContact CD1-CE2 4.2Å; F356-F387 AromaticContact CD1-CG 3.43Å; F356-F387 HydrophobicContact CD1-CG 3.43Å; F356-F387 VanDerWaalsContact CD1-CG 3.43Å; F356-F387 HydrophobicContact CD1-CZ 4.4Å; F356-F387 AromaticContact CD2-CD2 3.66Å; F356-F387 HydrophobicContact CD2-CD2 3.66Å; F356-F387 AromaticContact CD2-CE2 3.63Å; F356-F387 HydrophobicContact CD2-CE2 3.63Å; F356-F387 HydrophobicContact CD2-CG 4.26Å; F356-F387 HydrophobicContact CD2-CZ 4.21Å; F356-F387 HydrophobicContact CE1-CB 3.62Å; F356-F387 HydrophobicContact CE1-CD1 4.34Å; F356-F387 AromaticContact CE1-CD2 3.9Å; F356-F387 HydrophobicContact CE1-CD2 3.9Å; F356-F387 AromaticContact CE1-CG 3.68Å; F356-F387 HydrophobicContact CE1-CG 3.68Å; F356-F387 AromaticContact CE2-CD2 3.86Å; F356-F387 HydrophobicContact CE2-CD2 3.86Å; F356-F387 HydrophobicContact CE2-CE2 4.23Å; F356-F387 HydrophobicContact CE2-CG 4.48Å; F356-F387 AromaticContact CG-CD1 3.92Å; F356-F387 HydrophobicContact CG-CD1 3.92Å; F356-F387 AromaticContact CG-CD2 3.6Å; F356-F387 HydrophobicContact CG-CD2 3.6Å; F356-F387 AromaticContact CG-CE1 3.94Å; F356-F387 HydrophobicContact CG-CE1 3.94Å; F356-F387 AromaticContact CG-CE2 3.62Å; F356-F387 HydrophobicContact CG-CE2 3.62Å; F356-F387 AromaticContact CG-CG 3.75Å; F356-F387 HydrophobicContact CG-CG 3.75Å; F356-F387 AromaticContact CG-CZ 3.79Å; F356-F387 HydrophobicContact CG-CZ 3.79Å; F356-F387 HydrophobicContact CZ-CB 4.2Å; F356-F387 AromaticContact CZ-CD2 3.97Å; F356-F387 HydrophobicContact CZ-CD2 3.97Å; F356-F387 HydrophobicContact CZ-CG 4.21Å; F356-I404 HydrophobicContact CD2-CD1 4.46Å; F356-I404 HydrophobicContact CE2-CD1 3.6Å; F356-I404 HydrophobicContact CZ-CD1 3.87Å; F356-I404 HydrophobicContact CZ-CG2 4.38Å; F356-L442 HydrophobicContact CE2-CD2 4.05Å; F356-L442 HydrophobicContact CZ-CD2 4.26Å; F356-L452 HydrophobicContact CB-CD1 4.16Å; F356-L452 HydrophobicContact CD2-CD1 4.06Å
357	E	97.6	Very high	96.5	Very high	47 Å²	47	36.8 Å²	36.8	22%	0.22	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-46.7	174.3	-179.4	173.1	146.8	0	0	112	D353 Y354 L359 L360 C361 K373 W380	D353-E357 PolarHBondContact O-N 3.37Å; Y354-E357 PolarHBondContact O-N 2.87Å; E357-L359 VanDerWaalsContact C-N 3.25Å; E357-L359 PolarHBondContact O-N 3.05Å; E357-L360 WeakPolarHBondContact O-CB 3.35Å; E357-L360 PolarHBondContact O-N 2.96Å; E357-L360 VanDerWaalsContact O-N 3.08Å; E357-C361 PolarHBondContact O-N 3.36Å; E357-C361 PolarHBondContact O-SG 2.95Å; E357-C361 VanDerWaalsContact O-SG 3.39Å; E357-K373 IonicContact OE1-NZ 4Å; E357-K373 PolarHBondContact OE1-NZ 2.96Å; E357-K373 IonicContact OE2-NZ 2.59Å; E357-K373 PolarHBondContact OE2-NZ 2.83Å; E357-W380 HydrophobicContact CB-CH2 4.45Å; E357-W380 HydrophobicContact CG-CH2 4.04Å; E357-W380 HydrophobicContact CG-CZ2 4.21Å; E357-W380 WeakPolarHBondContact OE2-CZ2 3.45Å
358	K	97.4	Very high	96.7	Very high	117 Å²	117	33.7 Å²	33.7	51%	0.509	16%	0.164	S	C	.	.	H	α-helix	trans	-56.9	-39.9	174.8	-73.2	168.4	-177.7	175.3	0	111.9	Y354 E355 C361 K362	Y354-K358 VanDerWaalsContact O-CG 3.31Å; Y354-K358 WeakPolarHBondContact O-CG 3.19Å; Y354-K358 PolarHBondContact O-N 2.71Å; E355-K358 PolarHBondContact O-N 2.77Å; E355-K358 IonicContact OE1-NZ 3.6Å; E355-K358 PolarHBondContact OE1-NZ 2.91Å; E355-K358 WeakPolarHBondContact OE2-CD 3.26Å; E355-K358 IonicContact OE2-NZ 2.8Å; K358-C361 PolarHBondContact O-N 3.32Å; K358-K362 PolarHBondContact O-N 2.95Å
359	L	97.2	Very high	96.9	Very high	13 Å²	13	33.7 Å²	33.7	7%	0.068	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-44.4	174.8	176.7	65.5	0	0	0	111.8	E355 F356 E357 C361 K362 I363 V431 F433 V434 M444 L452	E355-L359 WeakPolarHBondContact O-CB 3.37Å; E355-L359 PolarHBondContact O-N 2.81Å; F356-L359 HydrophobicContact CD2-CD2 4.46Å; F356-L359 WeakPolarHBondContact O-CB 3.46Å; F356-L359 PolarHBondContact O-N 3.31Å; E357-L359 VanDerWaalsContact C-N 3.25Å; E357-L359 PolarHBondContact O-N 3.05Å; L359-C361 VanDerWaalsContact C-N 3.34Å; L359-C361 PolarHBondContact O-N 3.27Å; L359-K362 WeakPolarHBondContact O-CB 3.25Å; L359-K362 PolarHBondContact O-N 3.34Å; L359-I363 HydrophobicContact CD1-CD1 3.91Å; L359-I363 HydrophobicContact CD1-CG1 4.43Å; L359-I363 HydrophobicContact CG-CD1 3.95Å; L359-I363 WeakPolarHBondContact O-CG1 3.44Å; L359-I363 PolarHBondContact O-N 3.18Å; L359-V431 HydrophobicContact CD1-CG1 3.69Å; L359-F433 HydrophobicContact CD1-CE2 4.04Å; L359-V434 HydrophobicContact CD1-CG2 4.28Å; L359-V434 HydrophobicContact CD2-CG2 4.06Å; L359-M444 HydrophobicContact CD2-CE 3.42Å; L359-M444 VanDerWaalsContact CD2-CE 3.42Å; L359-M444 HydrophobicContact CD2-SD 4.27Å; L359-L452 HydrophobicContact CB-CD2 4.34Å; L359-L452 HydrophobicContact CD2-CD2 4.02Å
360	L	97.2	Very high	96.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-42.3	173.7	-66.9	174.5	0	0	0	111.5	F356 E357 K362 I363 F364 I369 W380 L383 L442	F356-L360 HydrophobicContact CD1-CD1 4.07Å; F356-L360 HydrophobicContact CE1-CD1 3.63Å; F356-L360 HydrophobicContact CE1-CG 4.19Å; F356-L360 HydrophobicContact CE2-CD2 4.35Å; F356-L360 HydrophobicContact CE2-CG 4.37Å; F356-L360 HydrophobicContact CZ-CD1 3.96Å; F356-L360 HydrophobicContact CZ-CD2 4.03Å; F356-L360 HydrophobicContact CZ-CG 4.09Å; F356-L360 WeakPolarHBondContact O-CG 3.36Å; F356-L360 PolarHBondContact O-N 2.85Å; E357-L360 WeakPolarHBondContact O-CB 3.35Å; E357-L360 PolarHBondContact O-N 2.96Å; E357-L360 VanDerWaalsContact O-N 3.08Å; L360-K362 VanDerWaalsContact C-N 3.33Å; L360-K362 PolarHBondContact O-N 2.81Å; L360-I363 PolarHBondContact O-N 3.28Å; L360-F364 HydrophobicContact CB-CD2 4.36Å; L360-F364 HydrophobicContact CD2-CD2 4.01Å; L360-F364 HydrophobicContact CD2-CE2 3.7Å; L360-F364 WeakPolarHBondContact O-CB 3.32Å; L360-F364 WeakPolarHBondContact O-CD2 3.13Å; L360-F364 PolarHBondContact O-N 2.92Å; L360-I369 HydrophobicContact CB-CD1 3.93Å; L360-I369 HydrophobicContact CB-CG1 4.45Å; L360-W380 HydrophobicContact CD1-CH2 3.83Å; L360-W380 HydrophobicContact CD1-CZ3 3.9Å; L360-L383 HydrophobicContact CD1-CD2 3.79Å; L360-L442 HydrophobicContact CD2-CD2 4.27Å
361	C	97.1	Very high	96.8	Very high	13 Å²	13	39.9 Å²	39.9	9%	0.088	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-36.9	174.2	-66.6	0	0	0	0	112.5	E357 K358 L359 G365 Q366	E357-C361 PolarHBondContact O-N 3.36Å; E357-C361 PolarHBondContact O-SG 2.95Å; E357-C361 VanDerWaalsContact O-SG 3.39Å; K358-C361 PolarHBondContact O-N 3.32Å; L359-C361 VanDerWaalsContact C-N 3.34Å; L359-C361 PolarHBondContact O-N 3.27Å; C361-G365 CarbonylContact O-C 3.58Å; C361-G365 WeakPolarHBondContact O-CA 3.27Å; C361-G365 PolarHBondContact O-N 2.93Å; C361-Q366 PolarHBondContact SG-OE1 2.94Å
362	K	96	Very high	96.6	Very high	128 Å²	128	39.2 Å²	39.2	56%	0.557	19%	0.187	S	C	*	.	H	α-helix	trans	-66.1	-35	175.5	-170.8	-176.3	-179.8	-163.2	0	112.7	K358 L359 L360 N430 V431	K358-K362 PolarHBondContact O-N 2.95Å; L359-K362 WeakPolarHBondContact O-CB 3.25Å; L359-K362 PolarHBondContact O-N 3.34Å; L360-K362 VanDerWaalsContact C-N 3.33Å; L360-K362 PolarHBondContact O-N 2.81Å; K362-N430 PolarHBondContact NZ-O 2.79Å; K362-V431 HydrophobicContact CD-CG2 3.74Å; K362-V431 HydrophobicContact CG-CG2 4.1Å
363	I	95.8	Very high	96.3	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.051	20%	0.196	C	C	.	.	H	α-helix	trans	-85.1	-45.6	-177.8	-63.5	163.1	0	0	0	111.7	L359 L360 L426 V431 V434	L359-I363 HydrophobicContact CD1-CD1 3.91Å; L359-I363 HydrophobicContact CD1-CG1 4.43Å; L359-I363 HydrophobicContact CG-CD1 3.95Å; L359-I363 WeakPolarHBondContact O-CG1 3.44Å; L359-I363 PolarHBondContact O-N 3.18Å; L360-I363 PolarHBondContact O-N 3.28Å; I363-L426 HydrophobicContact CD1-CD2 3.95Å; I363-L426 HydrophobicContact CG1-CD2 4.37Å; I363-L426 HydrophobicContact CG2-CD2 3.63Å; I363-L426 HydrophobicContact CG2-CG 3.91Å; I363-V431 HydrophobicContact CD1-CG1 4.38Å; I363-V431 HydrophobicContact CG1-CB 4.36Å; I363-V431 HydrophobicContact CG1-CG1 4.42Å; I363-V431 HydrophobicContact CG1-CG2 4.02Å; I363-V434 HydrophobicContact CD1-CB 4.34Å; I363-V434 HydrophobicContact CD1-CG1 4.24Å; I363-V434 HydrophobicContact CD1-CG2 4.41Å
364	F	96.2	Very high	95.9	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.013	22%	0.223	C	C	.	.	H	α-helix	trans	-104.9	-14.8	-169.4	-58.5	-65.1	0	0	0	113.7	L360 F368 I369 L406 F410 Y414 R418 V422 A425	L360-F364 HydrophobicContact CB-CD2 4.36Å; L360-F364 HydrophobicContact CD2-CD2 4.01Å; L360-F364 HydrophobicContact CD2-CE2 3.7Å; L360-F364 WeakPolarHBondContact O-CB 3.32Å; L360-F364 WeakPolarHBondContact O-CD2 3.13Å; L360-F364 PolarHBondContact O-N 2.92Å; F364-F368 HydrophobicContact CB-CD1 3.78Å; F364-F368 HydrophobicContact CB-CE1 4.3Å; F364-I369 HydrophobicContact CB-CD1 4.34Å; F364-L406 HydrophobicContact CZ-CD1 4.17Å; F364-F410 HydrophobicContact CD1-CE1 4.32Å; F364-F410 HydrophobicContact CD2-CE1 4.05Å; F364-F410 AromaticContact CD2-CZ 3.67Å; F364-F410 HydrophobicContact CD2-CZ 3.67Å; F364-F410 HydrophobicContact CE1-CE1 4.26Å; F364-F410 AromaticContact CE2-CE1 3.97Å; F364-F410 HydrophobicContact CE2-CE1 3.97Å; F364-F410 AromaticContact CE2-CZ 3.88Å; F364-F410 HydrophobicContact CE2-CZ 3.88Å; F364-F410 HydrophobicContact CG-CE1 4.22Å; F364-F410 HydrophobicContact CG-CZ 4.06Å; F364-F410 HydrophobicContact CZ-CE1 4.08Å; F364-F410 HydrophobicContact CZ-CZ 4.45Å; F364-Y414 HydrophobicContact CB-CD2 4.14Å; F364-Y414 HydrophobicContact CB-CE2 3.64Å; F364-Y414 AromaticContact CD1-CD2 3.92Å; F364-Y414 HydrophobicContact CD1-CD2 3.92Å; F364-Y414 HydrophobicContact CD1-CE1 4.35Å; F364-Y414 AromaticContact CD1-CE2 3.57Å; F364-Y414 HydrophobicContact CD1-CE2 3.57Å; F364-Y414 HydrophobicContact CD1-CG 4.45Å; F364-Y414 AromaticContact CD1-CZ 3.8Å; F364-Y414 HydrophobicContact CG-CD2 4.38Å; F364-Y414 HydrophobicContact CG-CE2 4.06Å; F364-R418 PolarHBondContact O-NE 2.89Å; F364-R418 PolarHBondContact O-NH2 2.96Å; F364-V422 HydrophobicContact CE1-CB 3.89Å; F364-V422 HydrophobicContact CE1-CG1 3.92Å; F364-V422 HydrophobicContact CZ-CB 4.49Å; F364-A425 HydrophobicContact CD1-CB 4.01Å; F364-A425 HydrophobicContact CE1-CB 4.09Å
365	G	96.1	Very high	95.5	Very high	19 Å²	19	46 Å²	46	20%	0.196	22%	0.222	C	C	.	.			trans	91.5	137.9	-177.5	0	0	0	0	0	112.9	C361 D367 F368 I369	C361-G365 CarbonylContact O-C 3.58Å; C361-G365 WeakPolarHBondContact O-CA 3.27Å; C361-G365 PolarHBondContact O-N 2.93Å; G365-D367 PolarHBondContact O-N 3.3Å; G365-F368 WeakPolarHBondContact O-CB 3.44Å; G365-F368 PolarHBondContact O-N 2.69Å; G365-F368 VanDerWaalsContact O-N 3.15Å; G365-I369 PolarHBondContact O-N 2.76Å
366	Q	96.9	Very high	95.2	Very high	94 Å²	94	47.9 Å²	47.9	44%	0.439	23%	0.228	S	C	.	.	H	α-helix	trans	-55.6	-47.4	-177.6	-176	63.1	50.2	0	0	112.6	C361 F368 I369 D370	C361-Q366 PolarHBondContact SG-OE1 2.94Å; Q366-F368 PolarHBondContact O-N 2.77Å; Q366-I369 PolarHBondContact O-N 2.88Å; Q366-I369 VanDerWaalsContact O-N 3.07Å; Q366-D370 WeakPolarHBondContact CG-OD2 3.36Å; Q366-D370 PolarHBondContact NE2-OD1 3.11Å; Q366-D370 PolarHBondContact NE2-OD2 3.17Å; Q366-D370 PolarHBondContact O-N 3.32Å
367	D	97.1	Very high	94.8	Very high	73 Å²	73	48 Å²	48	39%	0.39	23%	0.229	S	C	.	.	H	α-helix	trans	-58.6	-32.3	178.6	62.1	-52.3	0	0	0	113.4	G365 Q371 F417 R418	G365-D367 PolarHBondContact O-N 3.3Å; D367-Q371 WeakPolarHBondContact O-CB 3.49Å; D367-Q371 WeakPolarHBondContact O-CG 3.18Å; D367-Q371 PolarHBondContact O-N 3.47Å; D367-F417 WeakPolarHBondContact OD2-CE1 3.21Å; D367-R418 VanDerWaalsContact CG-NH2 3.33Å; D367-R418 IonicContact OD1-CZ 2.69Å; D367-R418 IonicContact OD1-NH1 3.57Å; D367-R418 IonicContact OD1-NH2 2.88Å; D367-R418 PolarHBondContact OD1-NH2 3.12Å; D367-R418 IonicContact OD2-CZ 3.3Å; D367-R418 IonicContact OD2-NH1 3.48Å; D367-R418 PolarHBondContact OD2-NH1 3.33Å; D367-R418 IonicContact OD2-NH2 2.81Å; D367-R418 PolarHBondContact OD2-NH2 2.69Å
368	F	97.1	Very high	94.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-73.3	-46.6	173	168.5	-96.3	0	0	0	111.6	F364 G365 Q366 Q371 F372 F410 Y413 Y414 F417	F364-F368 HydrophobicContact CB-CD1 3.78Å; F364-F368 HydrophobicContact CB-CE1 4.3Å; G365-F368 WeakPolarHBondContact O-CB 3.44Å; G365-F368 PolarHBondContact O-N 2.69Å; G365-F368 VanDerWaalsContact O-N 3.15Å; Q366-F368 PolarHBondContact O-N 2.77Å; F368-Q371 PolarHBondContact O-N 2.93Å; F368-F372 HydrophobicContact CE1-CB 4.28Å; F368-F372 HydrophobicContact CE2-CB 4.48Å; F368-F372 HydrophobicContact CZ-CB 4.11Å; F368-F372 HydrophobicContact CZ-CD2 4.32Å; F368-F372 HydrophobicContact CZ-CG 4.33Å; F368-F372 WeakPolarHBondContact O-CB 3.42Å; F368-F372 PolarHBondContact O-N 3.18Å; F368-F410 HydrophobicContact CE1-CD2 4.34Å; F368-F410 AromaticContact CE1-CE1 4Å; F368-F410 HydrophobicContact CE1-CE1 4Å; F368-F410 AromaticContact CE1-CE2 3.79Å; F368-F410 HydrophobicContact CE1-CE2 3.79Å; F368-F410 AromaticContact CE1-CZ 3.6Å; F368-F410 HydrophobicContact CE1-CZ 3.6Å; F368-F410 HydrophobicContact CZ-CE1 4.39Å; F368-F410 HydrophobicContact CZ-CE2 4.41Å; F368-F410 HydrophobicContact CZ-CZ 4.34Å; F368-Y413 HydrophobicContact CD2-CD1 4.31Å; F368-Y413 HydrophobicContact CD2-CE1 4.44Å; F368-Y413 AromaticContact CE2-CD1 3.49Å; F368-Y413 HydrophobicContact CE2-CD1 3.49Å; F368-Y413 VanDerWaalsContact CE2-CD1 3.49Å; F368-Y413 HydrophobicContact CE2-CE1 4.04Å; F368-Y413 HydrophobicContact CE2-CG 4.42Å; F368-Y413 HydrophobicContact CZ-CD1 4.14Å; F368-Y414 AromaticContact CD1-CD2 3.72Å; F368-Y414 HydrophobicContact CD1-CD2 3.72Å; F368-Y414 HydrophobicContact CD1-CE2 4.17Å; F368-Y414 AromaticContact CD2-CD2 3.77Å; F368-Y414 HydrophobicContact CD2-CD2 3.77Å; F368-Y414 HydrophobicContact CD2-CE2 4.46Å; F368-Y414 AromaticContact CE1-CD2 3.68Å; F368-Y414 HydrophobicContact CE1-CD2 3.68Å; F368-Y414 AromaticContact CE2-CD2 3.71Å; F368-Y414 HydrophobicContact CE2-CD2 3.71Å; F368-Y414 HydrophobicContact CE2-CG 4.24Å; F368-Y414 AromaticContact CG-CD2 3.77Å; F368-Y414 HydrophobicContact CG-CD2 3.77Å; F368-Y414 HydrophobicContact CG-CE2 4.14Å; F368-Y414 AromaticContact CZ-CD2 3.67Å; F368-Y414 HydrophobicContact CZ-CD2 3.67Å; F368-Y414 HydrophobicContact CZ-CG 4.2Å; F368-F417 HydrophobicContact CB-CD1 3.91Å; F368-F417 HydrophobicContact CB-CE1 3.88Å; F368-F417 HydrophobicContact CD2-CB 3.98Å; F368-F417 AromaticContact CD2-CD1 3.63Å; F368-F417 HydrophobicContact CD2-CD1 3.63Å; F368-F417 HydrophobicContact CD2-CE1 4.35Å; F368-F417 AromaticContact CD2-CG 3.92Å; F368-F417 HydrophobicContact CD2-CG 3.92Å; F368-F417 HydrophobicContact CE2-CB 4.3Å; F368-F417 HydrophobicContact CG-CD1 4.24Å
369	I	97.4	Very high	94.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-43.6	-177.6	-64	-63.9	0	0	0	110.8	L360 F364 G365 Q366 F372 K373 W380 F410	L360-I369 HydrophobicContact CB-CD1 3.93Å; L360-I369 HydrophobicContact CB-CG1 4.45Å; F364-I369 HydrophobicContact CB-CD1 4.34Å; G365-I369 PolarHBondContact O-N 2.76Å; Q366-I369 PolarHBondContact O-N 2.88Å; Q366-I369 VanDerWaalsContact O-N 3.07Å; I369-F372 PolarHBondContact O-N 2.99Å; I369-K373 HydrophobicContact CG2-CD 4.29Å; I369-K373 WeakPolarHBondContact O-CG 3.16Å; I369-K373 PolarHBondContact O-N 3.26Å; I369-W380 HydrophobicContact CD1-CZ3 4.4Å; I369-W380 HydrophobicContact CG2-CH2 4.12Å; I369-W380 HydrophobicContact CG2-CZ3 3.98Å; I369-F410 HydrophobicContact CD1-CE2 3.98Å; I369-F410 HydrophobicContact CD1-CZ 4.08Å
370	D	94.7	Very high	93.9	Very high	65 Å²	65	41.8 Å²	41.8	35%	0.348	20%	0.203	S	C	.	.	H	α-helix	trans	-62.4	-44.9	177	-67.2	-30.9	0	0	0	111.8	Q366 I374	Q366-D370 WeakPolarHBondContact CG-OD2 3.36Å; Q366-D370 PolarHBondContact NE2-OD1 3.11Å; Q366-D370 PolarHBondContact NE2-OD2 3.17Å; Q366-D370 PolarHBondContact O-N 3.32Å; D370-I374 WeakPolarHBondContact O-CG1 3.38Å; D370-I374 PolarHBondContact O-N 2.91Å
371	Q	94.1	Very high	93.6	Very high	77 Å²	77	42.1 Å²	42.1	36%	0.36	21%	0.205	S	C	.	.	H	α-helix	trans	-67.1	-37.8	175.3	-74.6	-164.6	50.1	0	0	112.7	D367 F368 I374 K375	D367-Q371 WeakPolarHBondContact O-CB 3.49Å; D367-Q371 WeakPolarHBondContact O-CG 3.18Å; D367-Q371 PolarHBondContact O-N 3.47Å; F368-Q371 PolarHBondContact O-N 2.93Å; Q371-I374 PolarHBondContact O-N 3.27Å; Q371-K375 VanDerWaalsContact O-CB 3.29Å; Q371-K375 WeakPolarHBondContact O-CB 3.46Å; Q371-K375 VanDerWaalsContact O-CG 3.24Å; Q371-K375 WeakPolarHBondContact O-CG 3.34Å; Q371-K375 PolarHBondContact O-N 3.03Å
372	F	93.9	Very high	93.3	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-46.9	177.5	-179.8	-103.2	0	0	0	111.1	F368 I369 I374 K375 R376 A379 W380 F410 Y413	F368-F372 HydrophobicContact CE1-CB 4.28Å; F368-F372 HydrophobicContact CE2-CB 4.48Å; F368-F372 HydrophobicContact CZ-CB 4.11Å; F368-F372 HydrophobicContact CZ-CD2 4.32Å; F368-F372 HydrophobicContact CZ-CG 4.33Å; F368-F372 WeakPolarHBondContact O-CB 3.42Å; F368-F372 PolarHBondContact O-N 3.18Å; I369-F372 PolarHBondContact O-N 2.99Å; F372-I374 VanDerWaalsContact C-N 3.33Å; F372-I374 PolarHBondContact O-N 3.01Å; F372-K375 PolarHBondContact O-N 3.14Å; F372-R376 HydrophobicContact CD2-CB 3.87Å; F372-R376 HydrophobicContact CD2-CG 4.06Å; F372-R376 HydrophobicContact CE2-CB 3.57Å; F372-R376 HydrophobicContact CE2-CG 3.88Å; F372-R376 HydrophobicContact CZ-CB 4.01Å; F372-R376 CarbonylContact O-C 3.54Å; F372-R376 WeakPolarHBondContact O-CA 3.46Å; F372-R376 WeakPolarHBondContact O-CB 3.48Å; F372-R376 PolarHBondContact O-N 2.74Å; F372-A379 HydrophobicContact CE1-CB 4.35Å; F372-A379 HydrophobicContact CE2-CB 4.38Å; F372-A379 HydrophobicContact CZ-CB 3.61Å; F372-W380 HydrophobicContact CD1-CB 4.39Å; F372-W380 HydrophobicContact CD1-CE3 4.04Å; F372-W380 HydrophobicContact CE1-CB 4.11Å; F372-W380 HydrophobicContact CE1-CE3 4.27Å; F372-F410 AromaticContact CD1-CD2 3.86Å; F372-F410 HydrophobicContact CD1-CD2 3.86Å; F372-F410 HydrophobicContact CD1-CE2 4.33Å; F372-F410 HydrophobicContact CD2-CD2 4.48Å; F372-F410 HydrophobicContact CE1-CB 4.4Å; F372-F410 AromaticContact CE1-CD2 3.6Å; F372-F410 HydrophobicContact CE1-CD2 3.6Å; F372-F410 HydrophobicContact CE1-CE2 4.43Å; F372-F410 HydrophobicContact CE1-CG 4.46Å; F372-F410 VanDerWaalsContact CE2-CA 3.47Å; F372-F410 HydrophobicContact CE2-CB 3.97Å; F372-F410 HydrophobicContact CE2-CD2 4.26Å; F372-F410 HydrophobicContact CE2-CG 4.45Å; F372-F410 HydrophobicContact CG-CD2 4.28Å; F372-F410 HydrophobicContact CZ-CB 3.73Å; F372-F410 AromaticContact CZ-CD2 3.8Å; F372-F410 HydrophobicContact CZ-CD2 3.8Å; F372-F410 HydrophobicContact CZ-CG 4.21Å; F372-Y413 HydrophobicContact CB-CD1 4.22Å; F372-Y413 HydrophobicContact CB-CE1 4.33Å; F372-Y413 AromaticContact CD2-CD1 3.71Å; F372-Y413 HydrophobicContact CD2-CD1 3.71Å; F372-Y413 HydrophobicContact CD2-CE1 4.49Å; F372-Y413 HydrophobicContact CD2-CG 4.3Å; F372-Y413 HydrophobicContact CG-CD1 4.46Å
373	K	91.6	Very high	93.2	Very high	47 Å²	47	37 Å²	37	20%	0.204	18%	0.183	C	C	.	.	H	α-helix	trans	-53.2	-48	173.6	-75.5	172.8	165.1	-166.2	0	112.2	E357 I369 P377 W380	E357-K373 IonicContact OE1-NZ 4Å; E357-K373 PolarHBondContact OE1-NZ 2.96Å; E357-K373 IonicContact OE2-NZ 2.59Å; E357-K373 PolarHBondContact OE2-NZ 2.83Å; I369-K373 HydrophobicContact CG2-CD 4.29Å; I369-K373 WeakPolarHBondContact O-CG 3.16Å; I369-K373 PolarHBondContact O-N 3.26Å; K373-P377 VanDerWaalsContact O-CA 3.28Å; K373-P377 WeakPolarHBondContact O-CA 3.34Å; K373-P377 WeakPolarHBondContact O-CB 3.48Å; K373-P377 WeakPolarHBondContact O-CD 3.06Å; K373-W380 HydrophobicContact CD-CD2 4.4Å; K373-W380 HydrophobicContact CG-CB 4.38Å; K373-W380 HydrophobicContact CG-CD2 3.72Å; K373-W380 HydrophobicContact CG-CE3 4.06Å; K373-W380 HydrophobicContact CG-CG 3.83Å
374	I	88.3	Confident	93.2	Very high	112 Å²	112	37.2 Å²	37.2	57%	0.574	18%	0.184	S	C	*	.	H	α-helix	trans	-69.9	-41.1	-178.8	-66.2	166.5	0	0	0	112.2	D370 Q371 F372	D370-I374 WeakPolarHBondContact O-CG1 3.38Å; D370-I374 PolarHBondContact O-N 2.91Å; Q371-I374 PolarHBondContact O-N 3.27Å; F372-I374 VanDerWaalsContact C-N 3.33Å; F372-I374 PolarHBondContact O-N 3.01Å
375	K	88.8	Confident	92.9	Very high	107 Å²	107	39.9 Å²	39.9	47%	0.465	20%	0.198	S	C	.	.	H	α-helix	trans	-87.8	-24	-173.1	-61.8	-62.4	-176.8	-177	0	113.6	K129 Q371 F372	K129-K375 WeakPolarHBondContact CE-O 3.21Å; Q371-K375 VanDerWaalsContact O-CB 3.29Å; Q371-K375 WeakPolarHBondContact O-CB 3.46Å; Q371-K375 VanDerWaalsContact O-CG 3.24Å; Q371-K375 WeakPolarHBondContact O-CG 3.34Å; Q371-K375 PolarHBondContact O-N 3.03Å; F372-K375 PolarHBondContact O-N 3.14Å
376	R	90.3	Very high	92.8	Very high	80 Å²	80	40.3 Å²	40.3	30%	0.302	20%	0.199	S	C	.	.			trans	-140.7	55	-174.4	-59	-63.1	-176.8	-160.2	7.3	111.9	P125 F372 A378 A379 W380	P125-R376 VanDerWaalsContact CB-NH1 3.26Å; F372-R376 HydrophobicContact CD2-CB 3.87Å; F372-R376 HydrophobicContact CD2-CG 4.06Å; F372-R376 HydrophobicContact CE2-CB 3.57Å; F372-R376 HydrophobicContact CE2-CG 3.88Å; F372-R376 HydrophobicContact CZ-CB 4.01Å; F372-R376 CarbonylContact O-C 3.54Å; F372-R376 WeakPolarHBondContact O-CA 3.46Å; F372-R376 WeakPolarHBondContact O-CB 3.48Å; F372-R376 PolarHBondContact O-N 2.74Å; R376-A378 PolarHBondContact O-N 2.89Å; R376-A379 HydrophobicContact CB-CB 4.26Å; R376-A379 PolarHBondContact O-N 3.04Å; R376-W380 PolarHBondContact O-N 2.82Å; R376-W380 VanDerWaalsContact O-N 3.17Å
377	P	89.8	Confident	92.8	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.019	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-35.8	-172.3	25.1	-35.2	0	0	0	114.2	Y120 A156 K373 W380 V381	Y120-P377 WeakPolarHBondContact OH-CB 3.49Å; Y120-P377 WeakPolarHBondContact OH-CG 3.4Å; A156-P377 HydrophobicContact CB-CB 4.13Å; K373-P377 VanDerWaalsContact O-CA 3.28Å; K373-P377 WeakPolarHBondContact O-CA 3.34Å; K373-P377 WeakPolarHBondContact O-CB 3.48Å; K373-P377 WeakPolarHBondContact O-CD 3.06Å; P377-W380 WeakPolarHBondContact O-CB 3.32Å; P377-W380 PolarHBondContact O-N 2.98Å; P377-V381 PolarHBondContact O-N 3.21Å
378	A	90.2	Very high	92.5	Very high	11 Å²	11	34.1 Å²	34.1	9%	0.091	17%	0.168	C	C	.	.	H	α-helix	trans	-59.6	-48.2	174.2	0	0	0	0	0	111.9	Y120 R376 W380 V381 D382	Y120-A378 HydrophobicContact CD1-CB 4.25Å; Y120-A378 HydrophobicContact CE1-CB 3.91Å; R376-A378 PolarHBondContact O-N 2.89Å; A378-W380 PolarHBondContact O-N 2.97Å; A378-V381 WeakPolarHBondContact O-CA 3.14Å; A378-V381 WeakPolarHBondContact O-CB 3.21Å; A378-V381 PolarHBondContact O-N 3.34Å; A378-D382 PolarHBondContact O-N 3.19Å
379	A	91.3	Very high	92.2	Very high	7 Å²	7	37.2 Å²	37.2	6%	0.058	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-20.7	177.2	0	0	0	0	0	114.2	F372 R376 L383 P407 S409	F372-A379 HydrophobicContact CE1-CB 4.35Å; F372-A379 HydrophobicContact CE2-CB 4.38Å; F372-A379 HydrophobicContact CZ-CB 3.61Å; R376-A379 HydrophobicContact CB-CB 4.26Å; R376-A379 PolarHBondContact O-N 3.04Å; A379-L383 PolarHBondContact O-N 2.63Å; A379-P407 HydrophobicContact CB-CB 4.35Å; A379-S409 WeakPolarHBondContact CB-OG 3.39Å
380	W	93	Very high	92.1	Very high	28 Å²	28	41.7 Å²	41.7	11%	0.106	21%	0.207	C	C	.	.	H	α-helix	trans	-70.8	-41.9	167.8	177	-98.7	0	0	0	111.6	E357 L360 I369 F372 K373 R376 P377 A378 D382 L383 M384	E357-W380 HydrophobicContact CB-CH2 4.45Å; E357-W380 HydrophobicContact CG-CH2 4.04Å; E357-W380 HydrophobicContact CG-CZ2 4.21Å; E357-W380 WeakPolarHBondContact OE2-CZ2 3.45Å; L360-W380 HydrophobicContact CD1-CH2 3.83Å; L360-W380 HydrophobicContact CD1-CZ3 3.9Å; I369-W380 HydrophobicContact CD1-CZ3 4.4Å; I369-W380 HydrophobicContact CG2-CH2 4.12Å; I369-W380 HydrophobicContact CG2-CZ3 3.98Å; F372-W380 HydrophobicContact CD1-CB 4.39Å; F372-W380 HydrophobicContact CD1-CE3 4.04Å; F372-W380 HydrophobicContact CE1-CB 4.11Å; F372-W380 HydrophobicContact CE1-CE3 4.27Å; K373-W380 HydrophobicContact CD-CD2 4.4Å; K373-W380 HydrophobicContact CG-CB 4.38Å; K373-W380 HydrophobicContact CG-CD2 3.72Å; K373-W380 HydrophobicContact CG-CE3 4.06Å; K373-W380 HydrophobicContact CG-CG 3.83Å; R376-W380 PolarHBondContact O-N 2.82Å; R376-W380 VanDerWaalsContact O-N 3.17Å; P377-W380 WeakPolarHBondContact O-CB 3.32Å; P377-W380 PolarHBondContact O-N 2.98Å; A378-W380 PolarHBondContact O-N 2.97Å; W380-D382 VanDerWaalsContact C-N 3.33Å; W380-D382 PolarHBondContact O-N 2.73Å; W380-L383 HydrophobicContact CE3-CD2 4.14Å; W380-L383 HydrophobicContact CZ3-CD2 3.97Å; W380-L383 PolarHBondContact O-N 2.76Å; W380-M384 HydrophobicContact CD2-CG 4.47Å; W380-M384 HydrophobicContact CH2-SD 4.16Å; W380-M384 HydrophobicContact CZ2-CG 4.05Å; W380-M384 HydrophobicContact CZ2-SD 3.63Å; W380-M384 WeakPolarHBondContact O-CG 3.44Å; W380-M384 PolarHBondContact O-N 2.93Å; W380-M384 VanDerWaalsContact O-N 3.11Å
381	V	90.3	Very high	92.1	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-59.6	-44.4	174.6	174.8	0	0	0	0	110.4	Y120 Y133 P377 A378 L383 M384 I385	Y120-V381 HydrophobicContact CE1-CG2 4.22Å; Y133-V381 HydrophobicContact CD1-CG2 3.95Å; Y133-V381 HydrophobicContact CE1-CG1 4.15Å; Y133-V381 HydrophobicContact CE1-CG2 3.58Å; P377-V381 PolarHBondContact O-N 3.21Å; A378-V381 WeakPolarHBondContact O-CA 3.14Å; A378-V381 WeakPolarHBondContact O-CB 3.21Å; A378-V381 PolarHBondContact O-N 3.34Å; V381-L383 VanDerWaalsContact C-N 3.34Å; V381-L383 PolarHBondContact O-N 3.24Å; V381-M384 PolarHBondContact O-N 3.28Å; V381-M384 VanDerWaalsContact O-N 3.1Å; V381-I385 HydrophobicContact CG1-CD1 3.76Å; V381-I385 HydrophobicContact CG1-CG1 4.34Å; V381-I385 WeakPolarHBondContact O-CG1 3.38Å; V381-I385 PolarHBondContact O-N 3.46Å
382	D	90.3	Very high	91.9	Very high	33 Å²	33	43 Å²	43	18%	0.176	20%	0.204	C	C	.	.	H	α-helix	trans	-56.3	-44.6	176.3	-58.4	-15.3	0	0	0	113.2	H121 A378 W380 M384 I385 A386 P407	H121-D382 IonicContact CE1-OD1 2.73Å; H121-D382 IonicContact CE1-OD2 3.19Å; H121-D382 PolarHBondContact CE1-OD2 2.89Å; H121-D382 IonicContact CG-OD1 2.66Å; H121-D382 IonicContact ND1-OD1 2.79Å; H121-D382 PolarHBondContact ND1-OD1 3.21Å; H121-D382 IonicContact ND1-OD2 2.81Å; H121-D382 PolarHBondContact ND1-OD2 2.57Å; A378-D382 PolarHBondContact O-N 3.19Å; W380-D382 VanDerWaalsContact C-N 3.33Å; W380-D382 PolarHBondContact O-N 2.73Å; D382-M384 VanDerWaalsContact C-N 3.33Å; D382-M384 PolarHBondContact O-N 2.97Å; D382-I385 PolarHBondContact O-N 2.79Å; D382-A386 WeakPolarHBondContact O-CB 3.29Å; D382-A386 PolarHBondContact O-N 3.46Å; D382-P407 HydrophobicContact CB-CG 3.83Å
383	L	95.2	Very high	91.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-41.1	177.5	176	56.1	0	0	0	111.3	F356 L360 A379 W380 V381 A386 F387 I404 L406 P407 F410	F356-L383 HydrophobicContact CE1-CD1 4.45Å; F356-L383 HydrophobicContact CE1-CG 4.47Å; F356-L383 HydrophobicContact CZ-CD1 4.49Å; L360-L383 HydrophobicContact CD1-CD2 3.79Å; A379-L383 PolarHBondContact O-N 2.63Å; W380-L383 HydrophobicContact CE3-CD2 4.14Å; W380-L383 HydrophobicContact CZ3-CD2 3.97Å; W380-L383 PolarHBondContact O-N 2.76Å; V381-L383 VanDerWaalsContact C-N 3.34Å; V381-L383 PolarHBondContact O-N 3.24Å; L383-A386 PolarHBondContact O-N 3.48Å; L383-F387 PolarHBondContact O-N 2.87Å; L383-I404 HydrophobicContact CD1-CG2 4.29Å; L383-L406 HydrophobicContact CD1-CD2 3.47Å; L383-L406 VanDerWaalsContact CD1-CD2 3.47Å; L383-L406 HydrophobicContact CD2-CD2 4.45Å; L383-P407 HydrophobicContact CB-CG 4.22Å; L383-F410 HydrophobicContact CD2-CD2 3.85Å; L383-F410 HydrophobicContact CD2-CE2 3.74Å
384	M	94.6	Very high	91.9	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-71.1	-33.4	177.8	-63.9	-51.4	-61	0	0	112.5	D353 F356 W380 V381 D382 F387 E388	D353-M384 HydrophobicContact CB-CE 3.76Å; F356-M384 HydrophobicContact CD1-CE 4.25Å; F356-M384 HydrophobicContact CD1-SD 4.1Å; F356-M384 HydrophobicContact CE1-SD 4.35Å; W380-M384 HydrophobicContact CD2-CG 4.47Å; W380-M384 HydrophobicContact CH2-SD 4.16Å; W380-M384 HydrophobicContact CZ2-CG 4.05Å; W380-M384 HydrophobicContact CZ2-SD 3.63Å; W380-M384 WeakPolarHBondContact O-CG 3.44Å; W380-M384 PolarHBondContact O-N 2.93Å; W380-M384 VanDerWaalsContact O-N 3.11Å; V381-M384 PolarHBondContact O-N 3.28Å; V381-M384 VanDerWaalsContact O-N 3.1Å; D382-M384 VanDerWaalsContact C-N 3.33Å; D382-M384 PolarHBondContact O-N 2.97Å; M384-F387 HydrophobicContact CE-CD1 4.13Å; M384-F387 PolarHBondContact O-N 3.26Å; M384-E388 WeakPolarHBondContact O-CB 3.29Å; M384-E388 PolarHBondContact O-N 3.01Å
385	I	90.4	Very high	92.1	Very high	59 Å²	59	39.2 Å²	39.2	30%	0.303	20%	0.198	S	C	.	.	H	α-helix	trans	-64.4	-46	171	-65.9	160.3	0	0	0	110.5	R117 V381 D382 F387 E388 S389	R117-I385 HydrophobicContact CG-CD1 3.74Å; V381-I385 HydrophobicContact CG1-CD1 3.76Å; V381-I385 HydrophobicContact CG1-CG1 4.34Å; V381-I385 WeakPolarHBondContact O-CG1 3.38Å; V381-I385 PolarHBondContact O-N 3.46Å; D382-I385 PolarHBondContact O-N 2.79Å; I385-F387 VanDerWaalsContact C-N 3.26Å; I385-F387 PolarHBondContact O-N 3.12Å; I385-E388 PolarHBondContact O-N 3.31Å; I385-S389 PolarHBondContact O-N 3.14Å
386	A	93.3	Very high	92	Very high	27 Å²	27	35.9 Å²	35.9	22%	0.223	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-36.7	176.4	0	0	0	0	0	111.8	D382 L383 I404	D382-A386 WeakPolarHBondContact O-CB 3.29Å; D382-A386 PolarHBondContact O-N 3.46Å; L383-A386 PolarHBondContact O-N 3.48Å; A386-I404 HydrophobicContact CB-CG2 4.21Å
387	F	96.3	Very high	91.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.8	-48.7	172.8	176.9	-114	0	0	0	112.8	V352 F356 L383 M384 I385 S389 R390 K391 I404 M449 L452	V352-F387 HydrophobicContact CG1-CZ 4.14Å; F356-F387 HydrophobicContact CB-CD1 4.05Å; F356-F387 HydrophobicContact CB-CD2 4.28Å; F356-F387 HydrophobicContact CB-CE1 3.62Å; F356-F387 HydrophobicContact CB-CE2 3.87Å; F356-F387 HydrophobicContact CB-CG 4.36Å; F356-F387 HydrophobicContact CB-CZ 3.53Å; F356-F387 HydrophobicContact CD1-CB 3.85Å; F356-F387 AromaticContact CD1-CD1 3.68Å; F356-F387 HydrophobicContact CD1-CD1 3.68Å; F356-F387 AromaticContact CD1-CD2 3.72Å; F356-F387 HydrophobicContact CD1-CD2 3.72Å; F356-F387 HydrophobicContact CD1-CE1 4.15Å; F356-F387 HydrophobicContact CD1-CE2 4.2Å; F356-F387 AromaticContact CD1-CG 3.43Å; F356-F387 HydrophobicContact CD1-CG 3.43Å; F356-F387 VanDerWaalsContact CD1-CG 3.43Å; F356-F387 HydrophobicContact CD1-CZ 4.4Å; F356-F387 AromaticContact CD2-CD2 3.66Å; F356-F387 HydrophobicContact CD2-CD2 3.66Å; F356-F387 AromaticContact CD2-CE2 3.63Å; F356-F387 HydrophobicContact CD2-CE2 3.63Å; F356-F387 HydrophobicContact CD2-CG 4.26Å; F356-F387 HydrophobicContact CD2-CZ 4.21Å; F356-F387 HydrophobicContact CE1-CB 3.62Å; F356-F387 HydrophobicContact CE1-CD1 4.34Å; F356-F387 AromaticContact CE1-CD2 3.9Å; F356-F387 HydrophobicContact CE1-CD2 3.9Å; F356-F387 AromaticContact CE1-CG 3.68Å; F356-F387 HydrophobicContact CE1-CG 3.68Å; F356-F387 AromaticContact CE2-CD2 3.86Å; F356-F387 HydrophobicContact CE2-CD2 3.86Å; F356-F387 HydrophobicContact CE2-CE2 4.23Å; F356-F387 HydrophobicContact CE2-CG 4.48Å; F356-F387 AromaticContact CG-CD1 3.92Å; F356-F387 HydrophobicContact CG-CD1 3.92Å; F356-F387 AromaticContact CG-CD2 3.6Å; F356-F387 HydrophobicContact CG-CD2 3.6Å; F356-F387 AromaticContact CG-CE1 3.94Å; F356-F387 HydrophobicContact CG-CE1 3.94Å; F356-F387 AromaticContact CG-CE2 3.62Å; F356-F387 HydrophobicContact CG-CE2 3.62Å; F356-F387 AromaticContact CG-CG 3.75Å; F356-F387 HydrophobicContact CG-CG 3.75Å; F356-F387 AromaticContact CG-CZ 3.79Å; F356-F387 HydrophobicContact CG-CZ 3.79Å; F356-F387 HydrophobicContact CZ-CB 4.2Å; F356-F387 AromaticContact CZ-CD2 3.97Å; F356-F387 HydrophobicContact CZ-CD2 3.97Å; F356-F387 HydrophobicContact CZ-CG 4.21Å; L383-F387 PolarHBondContact O-N 2.87Å; M384-F387 HydrophobicContact CE-CD1 4.13Å; M384-F387 PolarHBondContact O-N 3.26Å; I385-F387 VanDerWaalsContact C-N 3.26Å; I385-F387 PolarHBondContact O-N 3.12Å; F387-S389 VanDerWaalsContact C-N 3.25Å; F387-S389 PolarHBondContact O-N 3.2Å; F387-R390 CarbonylContact O-C 3.6Å; F387-R390 WeakPolarHBondContact O-CA 3.5Å; F387-R390 PolarHBondContact O-N 3.38Å; F387-K391 HydrophobicContact CE1-CB 4.25Å; F387-K391 HydrophobicContact CE1-CD 4Å; F387-K391 HydrophobicContact CE1-CG 4.46Å; F387-K391 HydrophobicContact CZ-CB 4.18Å; F387-K391 HydrophobicContact CZ-CD 4.32Å; F387-K391 HydrophobicContact CZ-CG 4.38Å; F387-K391 PolarHBondContact O-N 2.96Å; F387-I404 HydrophobicContact CD2-CD1 3.74Å; F387-I404 HydrophobicContact CE2-CD1 4.37Å; F387-M449 HydrophobicContact CE2-CE 4.25Å; F387-L452 HydrophobicContact CE2-CD1 3.68Å; F387-L452 HydrophobicContact CZ-CD1 3.77Å
388	E	92.8	Very high	91.7	Very high	37 Å²	37	43.5 Å²	43.5	17%	0.173	22%	0.222	C	C	.	.	H	α-helix	trans	-53.4	-42.7	180	179.7	66.1	-151.9	0	0	111.8	M384 I385 R390 K391 R392	M384-E388 WeakPolarHBondContact O-CB 3.29Å; M384-E388 PolarHBondContact O-N 3.01Å; I385-E388 PolarHBondContact O-N 3.31Å; E388-R390 VanDerWaalsContact C-N 3.29Å; E388-R390 PolarHBondContact O-N 3.01Å; E388-K391 PolarHBondContact O-N 2.99Å; E388-K391 IonicContact OE1-NZ 3.9Å; E388-K391 WeakPolarHBondContact OE2-CE 3.45Å; E388-K391 IonicContact OE2-NZ 3.75Å; E388-K391 PolarHBondContact OE2-NZ 2.78Å; E388-R392 PolarHBondContact O-N 3.12Å; E388-R392 VanDerWaalsContact O-N 3.12Å; E388-R392 IonicContact OE1-CZ 3.77Å; E388-R392 IonicContact OE1-NE 2.66Å; E388-R392 PolarHBondContact OE1-NE 3.34Å; E388-R392 IonicContact OE1-NH2 2.63Å; E388-R392 PolarHBondContact OE1-NH2 2.89Å
389	S	90.5	Very high	91.6	Very high	65 Å²	65	48.6 Å²	48.6	46%	0.455	25%	0.252	S	S	.	.	H	α-helix	trans	-57.6	-38.9	174.5	-179.1	0	0	0	0	112.9	I385 F387	I385-S389 PolarHBondContact O-N 3.14Å; F387-S389 VanDerWaalsContact C-N 3.25Å; F387-S389 PolarHBondContact O-N 3.2Å
390	R	94.1	Very high	91.6	Very high	95 Å²	95	53.5 Å²	53.5	36%	0.358	28%	0.277	S	S	.	.	H	α-helix	trans	-82.7	-32.4	178.3	-58.4	-39.9	-169.9	-161.5	-1.8	112.7	F387 E388 R392 A393 A394 L402 N403 I404	F387-R390 CarbonylContact O-C 3.6Å; F387-R390 WeakPolarHBondContact O-CA 3.5Å; F387-R390 PolarHBondContact O-N 3.38Å; E388-R390 VanDerWaalsContact C-N 3.29Å; E388-R390 PolarHBondContact O-N 3.01Å; R390-R392 VanDerWaalsContact C-N 3.33Å; R390-R392 PolarHBondContact O-N 3.21Å; R390-A393 PolarHBondContact O-N 3.1Å; R390-A394 PolarHBondContact O-N 3.03Å; R390-L402 HydrophobicContact CB-CB 4.44Å; R390-L402 HydrophobicContact CB-CD2 4.49Å; R390-L402 WeakPolarHBondContact O-CD1 3.46Å; R390-N403 PolarHBondContact NE-O 3.47Å; R390-I404 HydrophobicContact CB-CG1 4.06Å; R390-I404 HydrophobicContact CG-CG1 3.8Å
391	K	94.5	Very high	91.6	Very high	10 Å²	10	54.6 Å²	54.6	4%	0.043	29%	0.288	C	S	.	.	H	α-helix	trans	-55.9	-47	172.9	-173.5	177.7	61.9	-174.1	0	110.8	S349 V352 D353 F387 E388 A393 A394 F453	S349-K391 PolarHBondContact O-NZ 3.2Å; S349-K391 VanDerWaalsContact O-NZ 3.17Å; V352-K391 HydrophobicContact CB-CD 3.76Å; V352-K391 HydrophobicContact CG1-CD 3.68Å; V352-K391 HydrophobicContact CG1-CG 4.05Å; V352-K391 HydrophobicContact CG2-CD 4.45Å; D353-K391 IonicContact OD1-NZ 3.59Å; D353-K391 PolarHBondContact OD1-NZ 3.5Å; D353-K391 IonicContact OD2-NZ 2.69Å; F387-K391 HydrophobicContact CE1-CB 4.25Å; F387-K391 HydrophobicContact CE1-CD 4Å; F387-K391 HydrophobicContact CE1-CG 4.46Å; F387-K391 HydrophobicContact CZ-CB 4.18Å; F387-K391 HydrophobicContact CZ-CD 4.32Å; F387-K391 HydrophobicContact CZ-CG 4.38Å; F387-K391 PolarHBondContact O-N 2.96Å; E388-K391 PolarHBondContact O-N 2.99Å; E388-K391 IonicContact OE1-NZ 3.9Å; E388-K391 WeakPolarHBondContact OE2-CE 3.45Å; E388-K391 IonicContact OE2-NZ 3.75Å; E388-K391 PolarHBondContact OE2-NZ 2.78Å; K391-A393 PolarHBondContact O-N 3.35Å; K391-A394 WeakPolarHBondContact O-CB 3.46Å; K391-A394 PolarHBondContact O-N 3.19Å; K391-F453 HydrophobicContact CD-CZ 4.43Å; K391-F453 HydrophobicContact CG-CE1 4.37Å; K391-F453 HydrophobicContact CG-CE2 3.93Å; K391-F453 HydrophobicContact CG-CZ 3.48Å; K391-F453 VanDerWaalsContact CG-CZ 3.48Å; K391-F453 WeakPolarHBondContact O-CZ 3.37Å
392	R	91.4	Very high	91.8	Very high	160 Å²	160	54.7 Å²	54.7	60%	0.604	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.3	176.2	-66.1	-177.9	-166.8	157.3	2.6	114.6	E388 R390	E388-R392 PolarHBondContact O-N 3.12Å; E388-R392 VanDerWaalsContact O-N 3.12Å; E388-R392 IonicContact OE1-CZ 3.77Å; E388-R392 IonicContact OE1-NE 2.66Å; E388-R392 PolarHBondContact OE1-NE 3.34Å; E388-R392 IonicContact OE1-NH2 2.63Å; E388-R392 PolarHBondContact OE1-NH2 2.89Å; R390-R392 VanDerWaalsContact C-N 3.33Å; R390-R392 PolarHBondContact O-N 3.21Å
393	A	91.6	Very high	92	Very high	37 Å²	37	54.5 Å²	54.5	31%	0.306	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	4.9	179.3	0	0	0	0	0	113.9	R390 K391 R398 L402	R390-A393 PolarHBondContact O-N 3.1Å; K391-A393 PolarHBondContact O-N 3.35Å; A393-R398 PolarHBondContact O-NH1 3.11Å; A393-L402 HydrophobicContact CB-CD2 4.04Å
394	A	92.9	Very high	92.1	Very high	7 Å²	7	54.5 Å²	54.5	6%	0.058	29%	0.287	C	S	.	.			trans	-80.9	134.1	174.6	0	0	0	0	0	110.9	R390 K391 L402 M449 F453 L490	R390-A394 PolarHBondContact O-N 3.03Å; K391-A394 WeakPolarHBondContact O-CB 3.46Å; K391-A394 PolarHBondContact O-N 3.19Å; A394-L402 HydrophobicContact CB-CD1 4.36Å; A394-M449 HydrophobicContact CB-CE 4.09Å; A394-F453 HydrophobicContact CB-CE2 3.93Å; A394-F453 HydrophobicContact CB-CZ 4Å; A394-L490 HydrophobicContact CB-CD1 3.96Å
395	A	92.2	Very high	92.1	Very high	35 Å²	35	58.2 Å²	58.2	29%	0.289	31%	0.307	S	S	.	.			trans	-152.7	153.2	-178.3	0	0	0	0	0	110	E397 R398 A489	A395-E397 PolarHBondContact O-N 2.98Å; A395-R398 HydrophobicContact CB-CB 4.47Å; A395-R398 VanDerWaalsContact O-CB 3.25Å; A395-R398 WeakPolarHBondContact O-CB 3.32Å; A395-R398 PolarHBondContact O-N 3.44Å; A395-A489 HydrophobicContact CB-CB 3.97Å
396	P	87.4	Confident	92.3	Very high	36 Å²	36	55.5 Å²	55.5	23%	0.234	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-52	-176.9	-24.5	30.2	0	0	0	114.1	R398 L490 Q493	P396-R398 PolarHBondContact O-N 3.44Å; P396-L490 HydrophobicContact CB-CD2 4.42Å; P396-L490 HydrophobicContact CG-CD2 3.97Å; P396-Q493 VanDerWaalsContact CB-OE1 3.23Å; P396-Q493 HydrophobicContact CG-CB 3.92Å; P396-Q493 VanDerWaalsContact CG-CD 3.48Å; P396-Q493 HydrophobicContact CG-CG 4.29Å; P396-Q493 VanDerWaalsContact CG-OE1 3.23Å
397	E	85.2	Confident	92.3	Very high	155 Å²	155	55 Å²	55	72%	0.724	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	6.4	-174.2	-51.6	-49.4	133.4	0	0	113.8	A395 T399	A395-E397 PolarHBondContact O-N 2.98Å; E397-T399 PolarHBondContact O-N 2.96Å; E397-T399 VanDerWaalsContact O-N 3.14Å
398	R	88.5	Confident	92.1	Very high	89 Å²	89	62.7 Å²	62.7	34%	0.336	32%	0.322	S	S	.	.			trans	-82.3	96.1	-173.9	-170.2	-170.2	177.7	98	13.9	111.2	A393 A395 P396 N400 L402 P446	A393-R398 PolarHBondContact O-NH1 3.11Å; A395-R398 HydrophobicContact CB-CB 4.47Å; A395-R398 VanDerWaalsContact O-CB 3.25Å; A395-R398 WeakPolarHBondContact O-CB 3.32Å; A395-R398 PolarHBondContact O-N 3.44Å; P396-R398 PolarHBondContact O-N 3.44Å; R398-N400 PolarHBondContact NE-O 3.44Å; R398-L402 VanDerWaalsContact CZ-CD2 3.42Å; R398-P446 VanDerWaalsContact O-CB 3.28Å; R398-P446 WeakPolarHBondContact O-CB 3.39Å; R398-P446 WeakPolarHBondContact O-CG 3.17Å
399	T	87.7	Confident	92	Very high	118 Å²	118	62.7 Å²	62.7	72%	0.724	33%	0.325	S	S	*	.			trans	-72.3	-26.8	172.4	56.9	0	0	0	0	114	E397 P446	E397-T399 PolarHBondContact O-N 2.96Å; E397-T399 VanDerWaalsContact O-N 3.14Å; T399-P446 VanDerWaalsContact O-CG 3.3Å; T399-P446 WeakPolarHBondContact O-CG 3.2Å
400	N	91.8	Very high	92.3	Very high	110 Å²	110	59.6 Å²	59.6	59%	0.588	30%	0.304	S	S	*	.	S	Bend	trans	-81	126	-174.8	-81.3	-34.1	0	0	0	113	R398	R398-N400 PolarHBondContact NE-O 3.44Å
401	P	92.4	Very high	92.3	Very high	50 Å²	50	57.3 Å²	57.3	33%	0.325	30%	0.298	S	S	.	.			trans	-51.1	153.1	175.2	-30.4	37	0	0	0	114.8	R443 M444	P401-R443 HydrophobicContact CB-CG 3.63Å; P401-R443 HydrophobicContact CG-CG 4.4Å; P401-M444 CarbonylContact C-O 3.54Å; P401-M444 WeakPolarHBondContact CA-O 3.5Å; P401-M444 VanDerWaalsContact CB-O 3.25Å; P401-M444 WeakPolarHBondContact CB-O 3.5Å
402	L	94.4	Very high	92.3	Very high	9 Å²	9	59 Å²	59	5%	0.047	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.2	174.1	-78.5	166.9	0	0	0	110.2	R390 A393 A394 R398 M444 M449	R390-L402 HydrophobicContact CB-CB 4.44Å; R390-L402 HydrophobicContact CB-CD2 4.49Å; R390-L402 WeakPolarHBondContact O-CD1 3.46Å; A393-L402 HydrophobicContact CB-CD2 4.04Å; A394-L402 HydrophobicContact CB-CD1 4.36Å; R398-L402 VanDerWaalsContact CZ-CD2 3.42Å; L402-M444 PolarHBondContact N-O 2.82Å; L402-M444 WeakPolarHBondContact O-CB 3.28Å; L402-M444 PolarHBondContact O-N 3Å; L402-M449 HydrophobicContact CB-CG 4.48Å; L402-M449 HydrophobicContact CD1-CE 4.05Å; L402-M449 HydrophobicContact CD1-CG 4.03Å; L402-M449 HydrophobicContact CD1-SD 4.38Å
403	N	95.5	Very high	92.5	Very high	29 Å²	29	53.2 Å²	53.2	16%	0.155	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.7	178.2	-66.5	-12.6	0	0	0	110.1	R390 M441 L442 R443	R390-N403 PolarHBondContact NE-O 3.47Å; N403-M441 HydrophobicContact CB-CB 4.17Å; N403-M441 HydrophobicContact CB-CE 4.03Å; N403-M441 HydrophobicContact CB-SD 3.86Å; N403-L442 CarbonylContact C-O 3.59Å; N403-L442 WeakPolarHBondContact CA-O 3.46Å; N403-R443 WeakPolarHBondContact OD1-CB 3.17Å; N403-R443 PolarHBondContact OD1-NE 2.9Å
404	I	96.1	Very high	92.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.2	173.6	-56.4	159.2	0	0	0	108.1	F356 L383 A386 F387 R390 M441 L442 M444	F356-I404 HydrophobicContact CD2-CD1 4.46Å; F356-I404 HydrophobicContact CE2-CD1 3.6Å; F356-I404 HydrophobicContact CZ-CD1 3.87Å; F356-I404 HydrophobicContact CZ-CG2 4.38Å; L383-I404 HydrophobicContact CD1-CG2 4.29Å; A386-I404 HydrophobicContact CB-CG2 4.21Å; F387-I404 HydrophobicContact CD2-CD1 3.74Å; F387-I404 HydrophobicContact CE2-CD1 4.37Å; R390-I404 HydrophobicContact CB-CG1 4.06Å; R390-I404 HydrophobicContact CG-CG1 3.8Å; I404-M441 WeakPolarHBondContact O-CB 3.14Å; I404-L442 HydrophobicContact CB-CB 4.34Å; I404-L442 HydrophobicContact CD1-CD2 4.42Å; I404-L442 PolarHBondContact N-O 3.35Å; I404-L442 PolarHBondContact O-N 3.17Å; I404-M444 HydrophobicContact CD1-CG 3.51Å; I404-M444 HydrophobicContact CD1-SD 4.17Å; I404-M444 HydrophobicContact CG1-CG 4.26Å
405	N	94.3	Very high	92.9	Very high	94 Å²	94	57.9 Å²	57.9	50%	0.503	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	132.6	176.6	-166.8	21.3	0	0	0	110.2
406	L	94.6	Very high	93	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-95.4	126.8	168.1	-61.9	-171	0	0	0	108.1	F364 L383 F410 I411 W436 L442	F364-L406 HydrophobicContact CZ-CD1 4.17Å; L383-L406 HydrophobicContact CD1-CD2 3.47Å; L383-L406 VanDerWaalsContact CD1-CD2 3.47Å; L383-L406 HydrophobicContact CD2-CD2 4.45Å; L406-F410 HydrophobicContact CB-CD1 4.46Å; L406-F410 HydrophobicContact CD1-CD1 3.95Å; L406-F410 HydrophobicContact CD1-CE1 3.92Å; L406-I411 HydrophobicContact CB-CD1 4.19Å; L406-I411 HydrophobicContact CB-CG1 4.03Å; L406-W436 HydrophobicContact CD1-CH2 4.09Å; L406-W436 HydrophobicContact CD1-CZ3 3.65Å; L406-W436 HydrophobicContact CG-CH2 4.49Å; L406-W436 HydrophobicContact CG-CZ3 4.16Å; L406-L442 HydrophobicContact CD2-CB 4.34Å; L406-L442 HydrophobicContact CG-CB 4.36Å
407	P	93.4	Very high	93.4	Very high	18 Å²	18	64.5 Å²	64.5	12%	0.117	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-54.2	142.6	176	-28.5	36.8	0	0	0	111.9	A379 D382 L383 S409 F410 I411	A379-P407 HydrophobicContact CB-CB 4.35Å; D382-P407 HydrophobicContact CB-CG 3.83Å; L383-P407 HydrophobicContact CB-CG 4.22Å; P407-S409 PolarHBondContact O-N 2.82Å; P407-S409 VanDerWaalsContact O-N 3.13Å; P407-F410 WeakPolarHBondContact O-CA 3.31Å; P407-F410 VanDerWaalsContact O-CB 3.25Å; P407-F410 WeakPolarHBondContact O-CB 3.5Å; P407-F410 PolarHBondContact O-N 3.17Å; P407-I411 PolarHBondContact O-N 2.7Å
408	F	92.3	Very high	93.9	Very high	161 Å²	161	60.8 Å²	60.8	71%	0.706	30%	0.296	S	S	*	.	H	α-helix	trans	-54.1	-38	179.6	174.4	-98.2	0	0	0	112.1	F410 I411 D412	F408-F410 VanDerWaalsContact C-N 3.31Å; F408-F410 PolarHBondContact O-N 2.71Å; F408-I411 PolarHBondContact O-N 2.94Å; F408-D412 HydrophobicContact CE1-CB 4.12Å; F408-D412 HydrophobicContact CZ-CB 4.27Å; F408-D412 WeakPolarHBondContact O-CB 3.4Å; F408-D412 PolarHBondContact O-N 2.95Å
409	S	92	Very high	94.1	Very high	36 Å²	36	59.8 Å²	59.8	25%	0.252	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-30.7	174.8	51.9	0	0	0	0	113.9	A379 P407 Y413	A379-S409 WeakPolarHBondContact CB-OG 3.39Å; P407-S409 PolarHBondContact O-N 2.82Å; P407-S409 VanDerWaalsContact O-N 3.13Å; S409-Y413 WeakPolarHBondContact O-CB 3.45Å; S409-Y413 PolarHBondContact O-N 2.92Å; S409-Y413 VanDerWaalsContact O-N 3.07Å
410	F	95.6	Very high	94.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.8	-48.9	171	-174.2	-76.7	0	0	0	110.4	F364 F368 I369 F372 L383 L406 P407 F408 Y413 Y414 V422	F364-F410 HydrophobicContact CD1-CE1 4.32Å; F364-F410 HydrophobicContact CD2-CE1 4.05Å; F364-F410 AromaticContact CD2-CZ 3.67Å; F364-F410 HydrophobicContact CD2-CZ 3.67Å; F364-F410 HydrophobicContact CE1-CE1 4.26Å; F364-F410 AromaticContact CE2-CE1 3.97Å; F364-F410 HydrophobicContact CE2-CE1 3.97Å; F364-F410 AromaticContact CE2-CZ 3.88Å; F364-F410 HydrophobicContact CE2-CZ 3.88Å; F364-F410 HydrophobicContact CG-CE1 4.22Å; F364-F410 HydrophobicContact CG-CZ 4.06Å; F364-F410 HydrophobicContact CZ-CE1 4.08Å; F364-F410 HydrophobicContact CZ-CZ 4.45Å; F368-F410 HydrophobicContact CE1-CD2 4.34Å; F368-F410 AromaticContact CE1-CE1 4Å; F368-F410 HydrophobicContact CE1-CE1 4Å; F368-F410 AromaticContact CE1-CE2 3.79Å; F368-F410 HydrophobicContact CE1-CE2 3.79Å; F368-F410 AromaticContact CE1-CZ 3.6Å; F368-F410 HydrophobicContact CE1-CZ 3.6Å; F368-F410 HydrophobicContact CZ-CE1 4.39Å; F368-F410 HydrophobicContact CZ-CE2 4.41Å; F368-F410 HydrophobicContact CZ-CZ 4.34Å; I369-F410 HydrophobicContact CD1-CE2 3.98Å; I369-F410 HydrophobicContact CD1-CZ 4.08Å; F372-F410 AromaticContact CD1-CD2 3.86Å; F372-F410 HydrophobicContact CD1-CD2 3.86Å; F372-F410 HydrophobicContact CD1-CE2 4.33Å; F372-F410 HydrophobicContact CD2-CD2 4.48Å; F372-F410 HydrophobicContact CE1-CB 4.4Å; F372-F410 AromaticContact CE1-CD2 3.6Å; F372-F410 HydrophobicContact CE1-CD2 3.6Å; F372-F410 HydrophobicContact CE1-CE2 4.43Å; F372-F410 HydrophobicContact CE1-CG 4.46Å; F372-F410 VanDerWaalsContact CE2-CA 3.47Å; F372-F410 HydrophobicContact CE2-CB 3.97Å; F372-F410 HydrophobicContact CE2-CD2 4.26Å; F372-F410 HydrophobicContact CE2-CG 4.45Å; F372-F410 HydrophobicContact CG-CD2 4.28Å; F372-F410 HydrophobicContact CZ-CB 3.73Å; F372-F410 AromaticContact CZ-CD2 3.8Å; F372-F410 HydrophobicContact CZ-CD2 3.8Å; F372-F410 HydrophobicContact CZ-CG 4.21Å; L383-F410 HydrophobicContact CD2-CD2 3.85Å; L383-F410 HydrophobicContact CD2-CE2 3.74Å; L406-F410 HydrophobicContact CB-CD1 4.46Å; L406-F410 HydrophobicContact CD1-CD1 3.95Å; L406-F410 HydrophobicContact CD1-CE1 3.92Å; P407-F410 WeakPolarHBondContact O-CA 3.31Å; P407-F410 VanDerWaalsContact O-CB 3.25Å; P407-F410 WeakPolarHBondContact O-CB 3.5Å; P407-F410 PolarHBondContact O-N 3.17Å; F408-F410 VanDerWaalsContact C-N 3.31Å; F408-F410 PolarHBondContact O-N 2.71Å; F410-Y413 PolarHBondContact O-N 2.83Å; F410-Y414 VanDerWaalsContact O-CB 3.26Å; F410-Y414 WeakPolarHBondContact O-CB 3.49Å; F410-Y414 PolarHBondContact O-N 3.11Å; F410-V422 HydrophobicContact CE1-CG1 4.48Å
411	I	94.9	Very high	94.5	Very high	48 Å²	48	54 Å²	54	25%	0.246	28%	0.281	C	S	.	.	H	α-helix	trans	-65.1	-46.6	-176.6	-57	171.6	0	0	0	111	L406 P407 F408 K415 V422 W436	L406-I411 HydrophobicContact CB-CD1 4.19Å; L406-I411 HydrophobicContact CB-CG1 4.03Å; P407-I411 PolarHBondContact O-N 2.7Å; F408-I411 PolarHBondContact O-N 2.94Å; I411-K415 PolarHBondContact O-N 3.39Å; I411-K415 VanDerWaalsContact O-N 3.07Å; I411-V422 HydrophobicContact CG1-CG2 4.5Å; I411-V422 HydrophobicContact CG2-CG1 4.4Å; I411-V422 HydrophobicContact CG2-CG2 4.14Å; I411-W436 HydrophobicContact CD1-CH2 3.89Å; I411-W436 HydrophobicContact CD1-CZ2 4.25Å; I411-W436 HydrophobicContact CG1-CH2 4.39Å
412	D	94.9	Very high	94.6	Very high	46 Å²	46	51.9 Å²	51.9	25%	0.246	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-46.8	176.7	172.4	70	0	0	0	112	F408 Y414 K415 K416	F408-D412 HydrophobicContact CE1-CB 4.12Å; F408-D412 HydrophobicContact CZ-CB 4.27Å; F408-D412 WeakPolarHBondContact O-CB 3.4Å; F408-D412 PolarHBondContact O-N 2.95Å; D412-Y414 PolarHBondContact O-N 3.03Å; D412-K415 PolarHBondContact O-N 2.98Å; D412-K416 WeakPolarHBondContact O-CG 3.24Å; D412-K416 PolarHBondContact O-N 3.38Å; D412-K416 WeakPolarHBondContact OD1-CE 3.35Å; D412-K416 IonicContact OD1-NZ 3.85Å; D412-K416 PolarHBondContact OD1-NZ 2.85Å; D412-K416 WeakPolarHBondContact OD2-CE 3.32Å; D412-K416 IonicContact OD2-NZ 3.2Å; D412-K416 PolarHBondContact OD2-NZ 3.5Å
413	Y	95.1	Very high	94.6	Very high	38 Å²	38	53.3 Å²	53.3	15%	0.149	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-39.8	179	-170.3	-111.3	0	0	0	111.7	F368 F372 S409 F410 K415 K416 F417	F368-Y413 HydrophobicContact CD2-CD1 4.31Å; F368-Y413 HydrophobicContact CD2-CE1 4.44Å; F368-Y413 AromaticContact CE2-CD1 3.49Å; F368-Y413 HydrophobicContact CE2-CD1 3.49Å; F368-Y413 VanDerWaalsContact CE2-CD1 3.49Å; F368-Y413 HydrophobicContact CE2-CE1 4.04Å; F368-Y413 HydrophobicContact CE2-CG 4.42Å; F368-Y413 HydrophobicContact CZ-CD1 4.14Å; F372-Y413 HydrophobicContact CB-CD1 4.22Å; F372-Y413 HydrophobicContact CB-CE1 4.33Å; F372-Y413 AromaticContact CD2-CD1 3.71Å; F372-Y413 HydrophobicContact CD2-CD1 3.71Å; F372-Y413 HydrophobicContact CD2-CE1 4.49Å; F372-Y413 HydrophobicContact CD2-CG 4.3Å; F372-Y413 HydrophobicContact CG-CD1 4.46Å; S409-Y413 WeakPolarHBondContact O-CB 3.45Å; S409-Y413 PolarHBondContact O-N 2.92Å; S409-Y413 VanDerWaalsContact O-N 3.07Å; F410-Y413 PolarHBondContact O-N 2.83Å; Y413-K415 PolarHBondContact O-N 3.1Å; Y413-K416 PolarHBondContact O-N 2.96Å; Y413-F417 VanDerWaalsContact O-CB 3.25Å; Y413-F417 WeakPolarHBondContact O-CB 3.37Å; Y413-F417 PolarHBondContact O-N 3.28Å
414	Y	96.4	Very high	94.4	Very high	7 Å²	7	56 Å²	56	3%	0.027	29%	0.286	C	S	.	.	H	α-helix	trans	-59.5	-47.3	174.2	-171.8	-95	0	0	0	112	F364 F368 F410 D412 K416 F417 R418 H420 V422 A425	F364-Y414 HydrophobicContact CB-CD2 4.14Å; F364-Y414 HydrophobicContact CB-CE2 3.64Å; F364-Y414 AromaticContact CD1-CD2 3.92Å; F364-Y414 HydrophobicContact CD1-CD2 3.92Å; F364-Y414 HydrophobicContact CD1-CE1 4.35Å; F364-Y414 AromaticContact CD1-CE2 3.57Å; F364-Y414 HydrophobicContact CD1-CE2 3.57Å; F364-Y414 HydrophobicContact CD1-CG 4.45Å; F364-Y414 AromaticContact CD1-CZ 3.8Å; F364-Y414 HydrophobicContact CG-CD2 4.38Å; F364-Y414 HydrophobicContact CG-CE2 4.06Å; F368-Y414 AromaticContact CD1-CD2 3.72Å; F368-Y414 HydrophobicContact CD1-CD2 3.72Å; F368-Y414 HydrophobicContact CD1-CE2 4.17Å; F368-Y414 AromaticContact CD2-CD2 3.77Å; F368-Y414 HydrophobicContact CD2-CD2 3.77Å; F368-Y414 HydrophobicContact CD2-CE2 4.46Å; F368-Y414 AromaticContact CE1-CD2 3.68Å; F368-Y414 HydrophobicContact CE1-CD2 3.68Å; F368-Y414 AromaticContact CE2-CD2 3.71Å; F368-Y414 HydrophobicContact CE2-CD2 3.71Å; F368-Y414 HydrophobicContact CE2-CG 4.24Å; F368-Y414 AromaticContact CG-CD2 3.77Å; F368-Y414 HydrophobicContact CG-CD2 3.77Å; F368-Y414 HydrophobicContact CG-CE2 4.14Å; F368-Y414 AromaticContact CZ-CD2 3.67Å; F368-Y414 HydrophobicContact CZ-CD2 3.67Å; F368-Y414 HydrophobicContact CZ-CG 4.2Å; F410-Y414 VanDerWaalsContact O-CB 3.26Å; F410-Y414 WeakPolarHBondContact O-CB 3.49Å; F410-Y414 PolarHBondContact O-N 3.11Å; D412-Y414 PolarHBondContact O-N 3.03Å; Y414-K416 VanDerWaalsContact C-N 3.29Å; Y414-K416 PolarHBondContact O-N 3.16Å; Y414-F417 PolarHBondContact O-N 2.7Å; Y414-F417 VanDerWaalsContact O-N 3.16Å; Y414-R418 HydrophobicContact CD1-CG 4.49Å; Y414-R418 HydrophobicContact CD2-CG 4.12Å; Y414-R418 HydrophobicContact CE1-CB 4.12Å; Y414-R418 HydrophobicContact CE1-CG 4Å; Y414-R418 HydrophobicContact CE2-CG 3.57Å; Y414-R418 PolarHBondContact O-N 2.96Å; Y414-H420 AromaticContact CE1-CE1 3.73Å; Y414-H420 AromaticContact CE1-ND1 3.73Å; Y414-H420 AromaticContact CZ-CE1 3.9Å; Y414-H420 PolarHBondContact OH-CE1 2.87Å; Y414-H420 VanDerWaalsContact OH-CE1 3.26Å; Y414-V422 HydrophobicContact CD1-CG1 3.73Å; Y414-V422 HydrophobicContact CE1-CG1 4.48Å; Y414-V422 HydrophobicContact CG-CG1 3.95Å; Y414-A425 HydrophobicContact CE1-CB 3.76Å; Y414-A425 WeakPolarHBondContact OH-CB 3.48Å
415	K	95.9	Very high	94.3	Very high	135 Å²	135	56.2 Å²	56.2	59%	0.587	29%	0.288	S	S	*	.	H	α-helix	trans	-60.1	-39.9	177.7	-172.8	-179.5	177.2	-175.9	0	112	I411 D412 Y413 G419 H420	I411-K415 PolarHBondContact O-N 3.39Å; I411-K415 VanDerWaalsContact O-N 3.07Å; D412-K415 PolarHBondContact O-N 2.98Å; Y413-K415 PolarHBondContact O-N 3.1Å; K415-G419 VanDerWaalsContact O-CA 3.22Å; K415-G419 WeakPolarHBondContact O-CA 3.4Å; K415-G419 PolarHBondContact O-N 3.05Å; K415-H420 WeakPolarHBondContact CA-O 3.41Å
416	K	95.4	Very high	94.2	Very high	147 Å²	147	52.2 Å²	52.2	64%	0.639	27%	0.266	S	S	*	.	H	α-helix	trans	-70.4	-34.3	175.8	-72.7	167.5	178.4	163.3	0	113	D412 Y413 Y414	D412-K416 WeakPolarHBondContact O-CG 3.24Å; D412-K416 PolarHBondContact O-N 3.38Å; D412-K416 WeakPolarHBondContact OD1-CE 3.35Å; D412-K416 IonicContact OD1-NZ 3.85Å; D412-K416 PolarHBondContact OD1-NZ 2.85Å; D412-K416 WeakPolarHBondContact OD2-CE 3.32Å; D412-K416 IonicContact OD2-NZ 3.2Å; D412-K416 PolarHBondContact OD2-NZ 3.5Å; Y413-K416 PolarHBondContact O-N 2.96Å; Y414-K416 VanDerWaalsContact C-N 3.29Å; Y414-K416 PolarHBondContact O-N 3.16Å
417	F	94.9	Very high	94	Very high	63 Å²	63	61.3 Å²	61.3	28%	0.276	30%	0.3	S	S	.	.	H	α-helix	trans	-81.3	-36.7	-176.9	-170.2	-100.5	0	0	0	113.7	D367 F368 Y413 Y414	D367-F417 WeakPolarHBondContact OD2-CE1 3.21Å; F368-F417 HydrophobicContact CB-CD1 3.91Å; F368-F417 HydrophobicContact CB-CE1 3.88Å; F368-F417 HydrophobicContact CD2-CB 3.98Å; F368-F417 AromaticContact CD2-CD1 3.63Å; F368-F417 HydrophobicContact CD2-CD1 3.63Å; F368-F417 HydrophobicContact CD2-CE1 4.35Å; F368-F417 AromaticContact CD2-CG 3.92Å; F368-F417 HydrophobicContact CD2-CG 3.92Å; F368-F417 HydrophobicContact CE2-CB 4.3Å; F368-F417 HydrophobicContact CG-CD1 4.24Å; Y413-F417 VanDerWaalsContact O-CB 3.25Å; Y413-F417 WeakPolarHBondContact O-CB 3.37Å; Y413-F417 PolarHBondContact O-N 3.28Å; Y414-F417 PolarHBondContact O-N 2.7Å; Y414-F417 VanDerWaalsContact O-N 3.16Å
418	R	95.1	Very high	93.9	Very high	77 Å²	77	67.6 Å²	67.6	29%	0.291	33%	0.326	S	S	.	.	H	α-helix	trans	-105.7	-14.4	-178	-63.3	-60.9	-163	-159.5	-2.6	115	F364 D367 Y414 H420	F364-R418 PolarHBondContact O-NE 2.89Å; F364-R418 PolarHBondContact O-NH2 2.96Å; D367-R418 VanDerWaalsContact CG-NH2 3.33Å; D367-R418 IonicContact OD1-CZ 2.69Å; D367-R418 IonicContact OD1-NH1 3.57Å; D367-R418 IonicContact OD1-NH2 2.88Å; D367-R418 PolarHBondContact OD1-NH2 3.12Å; D367-R418 IonicContact OD2-CZ 3.3Å; D367-R418 IonicContact OD2-NH1 3.48Å; D367-R418 PolarHBondContact OD2-NH1 3.33Å; D367-R418 IonicContact OD2-NH2 2.81Å; D367-R418 PolarHBondContact OD2-NH2 2.69Å; Y414-R418 HydrophobicContact CD1-CG 4.49Å; Y414-R418 HydrophobicContact CD2-CG 4.12Å; Y414-R418 HydrophobicContact CE1-CB 4.12Å; Y414-R418 HydrophobicContact CE1-CG 4Å; Y414-R418 HydrophobicContact CE2-CG 3.57Å; Y414-R418 PolarHBondContact O-N 2.96Å; R418-H420 PolarHBondContact O-CD2 3.47Å; R418-H420 PolarHBondContact O-N 2.63Å
419	G	94.1	Very high	93.7	Very high	67 Å²	67	60.8 Å²	60.8	69%	0.691	30%	0.298	S	S	*	.	S	Bend	trans	77.8	-2.9	-174.6	0	0	0	0	0	115.3	K415	K415-G419 VanDerWaalsContact O-CA 3.22Å; K415-G419 WeakPolarHBondContact O-CA 3.4Å; K415-G419 PolarHBondContact O-N 3.05Å
420	H	93.6	Very high	93.2	Very high	53 Å²	53	65.7 Å²	65.7	25%	0.245	32%	0.322	C	S	.	.	S	Bend	trans	-134.4	167.1	-179.9	62.9	73.8	0	0	0	112.8	Y414 K415 R418 H424	Y414-H420 AromaticContact CE1-CE1 3.73Å; Y414-H420 AromaticContact CE1-ND1 3.73Å; Y414-H420 AromaticContact CZ-CE1 3.9Å; Y414-H420 PolarHBondContact OH-CE1 2.87Å; Y414-H420 VanDerWaalsContact OH-CE1 3.26Å; K415-H420 WeakPolarHBondContact CA-O 3.41Å; R418-H420 PolarHBondContact O-CD2 3.47Å; R418-H420 PolarHBondContact O-N 2.63Å; H420-H424 HydrophobicContact CB-CB 4.3Å; H420-H424 AromaticContact CD2-CD2 3.99Å; H420-H424 AromaticContact CE1-CD2 3.84Å; H420-H424 AromaticContact CG-CD2 3.61Å; H420-H424 AromaticContact ND1-CD2 3.52Å
421	S	94.4	Very high	92.8	Very high	55 Å²	55	65.9 Å²	65.9	39%	0.385	32%	0.323	S	S	.	.			trans	-74.3	163.4	-176.7	66.5	0	0	0	0	113.4	D423 H424 A425	S421-D423 VanDerWaalsContact C-N 3.32Å; S421-H424 PolarHBondContact O-N 3.05Å; S421-H424 PolarHBondContact OG-N 3.03Å; S421-H424 VanDerWaalsContact OG-N 3.15Å; S421-A425 PolarHBondContact O-N 2.86Å; S421-A425 VanDerWaalsContact O-N 3.13Å
422	V	93.9	Very high	92.3	Very high	4 Å²	4	70.1 Å²	70.1	2%	0.024	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-32.7	171	-65.1	0	0	0	0	112.7	F364 F410 I411 Y414 A425 L426 W436	F364-V422 HydrophobicContact CE1-CB 3.89Å; F364-V422 HydrophobicContact CE1-CG1 3.92Å; F364-V422 HydrophobicContact CZ-CB 4.49Å; F410-V422 HydrophobicContact CE1-CG1 4.48Å; I411-V422 HydrophobicContact CG1-CG2 4.5Å; I411-V422 HydrophobicContact CG2-CG1 4.4Å; I411-V422 HydrophobicContact CG2-CG2 4.14Å; Y414-V422 HydrophobicContact CD1-CG1 3.73Å; Y414-V422 HydrophobicContact CE1-CG1 4.48Å; Y414-V422 HydrophobicContact CG-CG1 3.95Å; V422-A425 WeakPolarHBondContact O-CB 3.44Å; V422-A425 PolarHBondContact O-N 3.19Å; V422-L426 PolarHBondContact O-N 3.19Å; V422-W436 HydrophobicContact CG2-CD2 4.16Å; V422-W436 HydrophobicContact CG2-CE3 4.07Å; V422-W436 HydrophobicContact CG2-CH2 3.53Å; V422-W436 HydrophobicContact CG2-CZ2 3.59Å; V422-W436 HydrophobicContact CG2-CZ3 3.79Å
423	D	93.5	Very high	92.1	Very high	39 Å²	39	71.2 Å²	71.2	21%	0.209	35%	0.349	C	S	.	.	H	α-helix	trans	-64	-43.1	172.2	-179.6	30.8	0	0	0	111.3	S421 A425 L426 R427 W436	S421-D423 VanDerWaalsContact C-N 3.32Å; D423-A425 VanDerWaalsContact C-N 3.3Å; D423-A425 PolarHBondContact O-N 3.07Å; D423-L426 PolarHBondContact O-N 2.86Å; D423-R427 VanDerWaalsContact CG-NE 3.3Å; D423-R427 WeakPolarHBondContact O-CG 3.35Å; D423-R427 PolarHBondContact O-N 2.87Å; D423-R427 IonicContact OD1-CZ 2.7Å; D423-R427 IonicContact OD1-NE 2.8Å; D423-R427 PolarHBondContact OD1-NE 3.39Å; D423-R427 IonicContact OD1-NH2 3.26Å; D423-R427 PolarHBondContact OD1-NH2 3.02Å; D423-R427 IonicContact OD2-CZ 3.57Å; D423-R427 IonicContact OD2-NE 2.71Å; D423-R427 PolarHBondContact OD2-NE 3.38Å; D423-R427 VanDerWaalsContact OD2-NE 3.16Å; D423-R427 IonicContact OD2-NH2 3.56Å; D423-R427 PolarHBondContact OD2-NH2 3.32Å; D423-W436 HydrophobicContact CB-CB 4.09Å; D423-W436 HydrophobicContact CB-CG 3.86Å; D423-W436 WeakPolarHBondContact OD1-CB 3.37Å
424	H	92.8	Very high	92	Very high	86 Å²	86	69.6 Å²	69.6	40%	0.398	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-39.4	173.9	-176.2	87.7	0	0	0	111.9	H420 S421 K428	H420-H424 HydrophobicContact CB-CB 4.3Å; H420-H424 AromaticContact CD2-CD2 3.99Å; H420-H424 AromaticContact CE1-CD2 3.84Å; H420-H424 AromaticContact CG-CD2 3.61Å; H420-H424 AromaticContact ND1-CD2 3.52Å; S421-H424 PolarHBondContact O-N 3.05Å; S421-H424 PolarHBondContact OG-N 3.03Å; S421-H424 VanDerWaalsContact OG-N 3.15Å; H424-K428 VanDerWaalsContact O-CB 3.28Å; H424-K428 WeakPolarHBondContact O-CB 3.35Å; H424-K428 PolarHBondContact O-N 2.78Å
425	A	93.4	Very high	91.8	Very high	5 Å²	5	75.7 Å²	75.7	4%	0.041	37%	0.369	C	S	.	.	H	α-helix	trans	-61.3	-49	175.9	0	0	0	0	0	111.9	F364 Y414 S421 V422 D423 R427 K428 S429	F364-A425 HydrophobicContact CD1-CB 4.01Å; F364-A425 HydrophobicContact CE1-CB 4.09Å; Y414-A425 HydrophobicContact CE1-CB 3.76Å; Y414-A425 WeakPolarHBondContact OH-CB 3.48Å; S421-A425 PolarHBondContact O-N 2.86Å; S421-A425 VanDerWaalsContact O-N 3.13Å; V422-A425 WeakPolarHBondContact O-CB 3.44Å; V422-A425 PolarHBondContact O-N 3.19Å; D423-A425 VanDerWaalsContact C-N 3.3Å; D423-A425 PolarHBondContact O-N 3.07Å; A425-R427 PolarHBondContact O-N 3.11Å; A425-K428 PolarHBondContact O-N 3.15Å; A425-S429 WeakPolarHBondContact O-CB 3.34Å; A425-S429 PolarHBondContact O-N 3.24Å
426	L	92.4	Very high	91.7	Very high	9 Å²	9	72.3 Å²	72.3	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-58.9	-48.4	177.7	-78.4	160.3	0	0	0	111.9	I363 V422 D423 K428 S429 V434 W436 L442	I363-L426 HydrophobicContact CD1-CD2 3.95Å; I363-L426 HydrophobicContact CG1-CD2 4.37Å; I363-L426 HydrophobicContact CG2-CD2 3.63Å; I363-L426 HydrophobicContact CG2-CG 3.91Å; V422-L426 PolarHBondContact O-N 3.19Å; D423-L426 PolarHBondContact O-N 2.86Å; L426-K428 VanDerWaalsContact C-N 3.25Å; L426-K428 PolarHBondContact O-N 3.13Å; L426-S429 PolarHBondContact O-N 2.7Å; L426-S429 VanDerWaalsContact O-N 3.16Å; L426-S429 PolarHBondContact O-OG 3.41Å; L426-V434 HydrophobicContact CD2-CB 4.19Å; L426-V434 HydrophobicContact CD2-CG1 3.77Å; L426-W436 HydrophobicContact CD1-CB 3.87Å; L426-W436 HydrophobicContact CD1-CD2 4.36Å; L426-W436 HydrophobicContact CD1-CE3 3.74Å; L426-W436 HydrophobicContact CD1-CG 4.47Å; L426-L442 HydrophobicContact CD1-CD1 3.89Å; L426-L442 HydrophobicContact CD2-CD1 3.88Å; L426-L442 HydrophobicContact CG-CD1 4.47Å
427	R	90.6	Very high	91.6	Very high	194 Å²	194	65.7 Å²	65.7	73%	0.732	33%	0.325	S	S	*	.	H	α-helix	trans	-64.5	-25.6	178.1	-67.2	177.3	-165.2	-141.5	13.4	114.3	D423 A425	D423-R427 VanDerWaalsContact CG-NE 3.3Å; D423-R427 WeakPolarHBondContact O-CG 3.35Å; D423-R427 PolarHBondContact O-N 2.87Å; D423-R427 IonicContact OD1-CZ 2.7Å; D423-R427 IonicContact OD1-NE 2.8Å; D423-R427 PolarHBondContact OD1-NE 3.39Å; D423-R427 IonicContact OD1-NH2 3.26Å; D423-R427 PolarHBondContact OD1-NH2 3.02Å; D423-R427 IonicContact OD2-CZ 3.57Å; D423-R427 IonicContact OD2-NE 2.71Å; D423-R427 PolarHBondContact OD2-NE 3.38Å; D423-R427 VanDerWaalsContact OD2-NE 3.16Å; D423-R427 IonicContact OD2-NH2 3.56Å; D423-R427 PolarHBondContact OD2-NH2 3.32Å; A425-R427 PolarHBondContact O-N 3.11Å
428	K	90.1	Very high	91.1	Very high	150 Å²	150	69.1 Å²	69.1	65%	0.652	36%	0.357	S	S	*	.	H	α-helix	trans	-89.9	-17.3	177.1	-171.1	176.5	177.9	-176.7	0	112.5	H424 A425 L426	H424-K428 VanDerWaalsContact O-CB 3.28Å; H424-K428 WeakPolarHBondContact O-CB 3.35Å; H424-K428 PolarHBondContact O-N 2.78Å; A425-K428 PolarHBondContact O-N 3.15Å; L426-K428 VanDerWaalsContact C-N 3.25Å; L426-K428 PolarHBondContact O-N 3.13Å
429	S	87.7	Confident	90.7	Very high	18 Å²	18	72.3 Å²	72.3	13%	0.126	38%	0.375	C	S	.	.	S	Bend	trans	-78.7	142.4	179.7	76.6	0	0	0	0	111.6	A425 L426 V431	A425-S429 WeakPolarHBondContact O-CB 3.34Å; A425-S429 PolarHBondContact O-N 3.24Å; L426-S429 PolarHBondContact O-N 2.7Å; L426-S429 VanDerWaalsContact O-N 3.16Å; L426-S429 PolarHBondContact O-OG 3.41Å; S429-V431 PolarHBondContact O-N 3.26Å
430	N	83.2	Confident	90.5	Very high	139 Å²	139	70.2 Å²	70.2	74%	0.743	35%	0.354	S	S	*	.	S	Bend	trans	-78.7	60.2	173.6	-61.2	-2.8	0	0	0	110.1	K362	K362-N430 PolarHBondContact NZ-O 2.79Å
431	V	87.1	Confident	90.5	Very high	3 Å²	3	69.2 Å²	69.2	2%	0.018	35%	0.349	C	S	.	.			trans	-143.5	63.8	-171.4	-166.8	0	0	0	0	110.2	L359 K362 I363 S429 F433 V434	L359-V431 HydrophobicContact CD1-CG1 3.69Å; K362-V431 HydrophobicContact CD-CG2 3.74Å; K362-V431 HydrophobicContact CG-CG2 4.1Å; I363-V431 HydrophobicContact CD1-CG1 4.38Å; I363-V431 HydrophobicContact CG1-CB 4.36Å; I363-V431 HydrophobicContact CG1-CG1 4.42Å; I363-V431 HydrophobicContact CG1-CG2 4.02Å; S429-V431 PolarHBondContact O-N 3.26Å; V431-F433 HydrophobicContact CG1-CD2 3.9Å; V431-F433 HydrophobicContact CG1-CE1 4.32Å; V431-F433 HydrophobicContact CG1-CE2 3.51Å; V431-F433 HydrophobicContact CG1-CG 4.48Å; V431-F433 HydrophobicContact CG1-CZ 3.75Å; V431-F433 PolarHBondContact O-N 2.71Å; V431-V434 HydrophobicContact CG1-CB 4.11Å; V431-V434 HydrophobicContact CG1-CG2 3.73Å; V431-V434 PolarHBondContact O-N 2.77Å; V431-V434 VanDerWaalsContact O-N 3.1Å
432	D	84.4	Confident	90.5	Very high	137 Å²	137	66.6 Å²	66.6	73%	0.733	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.8	-171.1	-54.7	-60	0	0	0	114.9	V434 K435	D432-V434 VanDerWaalsContact C-N 3.34Å; D432-K435 WeakPolarHBondContact O-CE 3.43Å
433	F	89.6	Confident	90.6	Very high	70 Å²	70	72 Å²	72	31%	0.307	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-3.8	179.6	54.2	-108.3	0	0	0	114.3	L359 V431 S445 A448	L359-F433 HydrophobicContact CD1-CE2 4.04Å; V431-F433 HydrophobicContact CG1-CD2 3.9Å; V431-F433 HydrophobicContact CG1-CE1 4.32Å; V431-F433 HydrophobicContact CG1-CE2 3.51Å; V431-F433 HydrophobicContact CG1-CG 4.48Å; V431-F433 HydrophobicContact CG1-CZ 3.75Å; V431-F433 PolarHBondContact O-N 2.71Å; F433-S445 WeakPolarHBondContact O-CB 3.35Å; F433-S445 PolarHBondContact O-N 2.8Å; F433-A448 HydrophobicContact CB-CB 4.15Å; F433-A448 HydrophobicContact CD2-CB 3.39Å; F433-A448 HydrophobicContact CE2-CB 4.12Å; F433-A448 HydrophobicContact CG-CB 4.14Å
434	V	92.8	Very high	90.7	Very high	4 Å²	4	70.2 Å²	70.2	2%	0.024	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.1	172.3	-170.8	0	0	0	0	109.9	L359 I363 L426 V431 D432 L442 R443 M444 A448	L359-V434 HydrophobicContact CD1-CG2 4.28Å; L359-V434 HydrophobicContact CD2-CG2 4.06Å; I363-V434 HydrophobicContact CD1-CB 4.34Å; I363-V434 HydrophobicContact CD1-CG1 4.24Å; I363-V434 HydrophobicContact CD1-CG2 4.41Å; L426-V434 HydrophobicContact CD2-CB 4.19Å; L426-V434 HydrophobicContact CD2-CG1 3.77Å; V431-V434 HydrophobicContact CG1-CB 4.11Å; V431-V434 HydrophobicContact CG1-CG2 3.73Å; V431-V434 PolarHBondContact O-N 2.77Å; V431-V434 VanDerWaalsContact O-N 3.1Å; D432-V434 VanDerWaalsContact C-N 3.34Å; V434-L442 HydrophobicContact CG1-CD1 3.37Å; V434-L442 HydrophobicContact CG1-CD2 4.33Å; V434-L442 HydrophobicContact CG1-CG 3.67Å; V434-R443 WeakPolarHBondContact CA-O 3.41Å; V434-M444 HydrophobicContact CB-SD 4.42Å; V434-M444 HydrophobicContact CG1-SD 3.8Å; V434-M444 HydrophobicContact CG2-CE 4.21Å; V434-M444 HydrophobicContact CG2-SD 3.77Å; V434-A448 HydrophobicContact CG2-CB 4.36Å
435	K	92.9	Very high	90.7	Very high	134 Å²	134	67.1 Å²	67.1	58%	0.583	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	153.8	-175.9	-65	-177.7	-178.8	176.7	0	111.7	D432 R443	D432-K435 WeakPolarHBondContact O-CE 3.43Å; K435-R443 PolarHBondContact N-O 3.06Å; K435-R443 WeakPolarHBondContact O-CB 3.38Å; K435-R443 PolarHBondContact O-N 3.43Å
436	W	93.9	Very high	90.7	Very high	64 Å²	64	68.4 Å²	68.4	24%	0.242	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130	168.6	-163.8	-117.3	0	0	0	109.8	L406 I411 V422 D423 L426 G440	L406-W436 HydrophobicContact CD1-CH2 4.09Å; L406-W436 HydrophobicContact CD1-CZ3 3.65Å; L406-W436 HydrophobicContact CG-CH2 4.49Å; L406-W436 HydrophobicContact CG-CZ3 4.16Å; I411-W436 HydrophobicContact CD1-CH2 3.89Å; I411-W436 HydrophobicContact CD1-CZ2 4.25Å; I411-W436 HydrophobicContact CG1-CH2 4.39Å; V422-W436 HydrophobicContact CG2-CD2 4.16Å; V422-W436 HydrophobicContact CG2-CE3 4.07Å; V422-W436 HydrophobicContact CG2-CH2 3.53Å; V422-W436 HydrophobicContact CG2-CZ2 3.59Å; V422-W436 HydrophobicContact CG2-CZ3 3.79Å; D423-W436 HydrophobicContact CB-CB 4.09Å; D423-W436 HydrophobicContact CB-CG 3.86Å; D423-W436 WeakPolarHBondContact OD1-CB 3.37Å; L426-W436 HydrophobicContact CD1-CB 3.87Å; L426-W436 HydrophobicContact CD1-CD2 4.36Å; L426-W436 HydrophobicContact CD1-CE3 3.74Å; L426-W436 HydrophobicContact CD1-CG 4.47Å; W436-G440 VanDerWaalsContact CH2-C 3.41Å; W436-G440 WeakPolarHBondContact CH2-O 3.42Å; W436-G440 VanDerWaalsContact CZ2-O 3.31Å; W436-G440 WeakPolarHBondContact CZ2-O 3.27Å
437	S	92.3	Very high	90.6	Very high	9 Å²	9	73.1 Å²	73.1	6%	0.063	36%	0.362	C	S	.	.			trans	-84.9	155.1	176.5	89.2	0	0	0	0	111.3	Q439 G440 M441	S437-Q439 PolarHBondContact O-N 3.24Å; S437-Q439 VanDerWaalsContact O-N 3.12Å; S437-Q439 PolarHBondContact OG-N 3.24Å; S437-G440 PolarHBondContact O-N 3.04Å; S437-G440 PolarHBondContact OG-N 3.35Å; S437-M441 WeakPolarHBondContact CB-O 3.35Å; S437-M441 PolarHBondContact N-O 2.82Å; S437-M441 PolarHBondContact OG-N 2.82Å; S437-M441 PolarHBondContact OG-O 3.44Å
438	S	85.8	Confident	90.7	Very high	134 Å²	134	63.9 Å²	63.9	94%	0.937	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.4	172.3	50.7	0	0	0	0	113.7
439	Q	86.8	Confident	91	Very high	145 Å²	145	56.9 Å²	56.9	68%	0.678	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	7.7	176.2	-65.4	175.2	-27.1	0	0	112.9	S437 M441	S437-Q439 PolarHBondContact O-N 3.24Å; S437-Q439 VanDerWaalsContact O-N 3.12Å; S437-Q439 PolarHBondContact OG-N 3.24Å; Q439-M441 HydrophobicContact CB-CE 3.69Å
440	G	88.8	Confident	91.3	Very high	23 Å²	23	58.7 Å²	58.7	24%	0.237	31%	0.306	C	S	.	.	S	Bend	trans	76.2	31.3	177.9	0	0	0	0	0	114.6	W436 S437	W436-G440 VanDerWaalsContact CH2-C 3.41Å; W436-G440 WeakPolarHBondContact CH2-O 3.42Å; W436-G440 VanDerWaalsContact CZ2-O 3.31Å; W436-G440 WeakPolarHBondContact CZ2-O 3.27Å; S437-G440 PolarHBondContact O-N 3.04Å; S437-G440 PolarHBondContact OG-N 3.35Å
441	M	93.6	Very high	91.8	Very high	32 Å²	32	55.7 Å²	55.7	16%	0.158	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	154.7	-179.8	-66.6	-176.6	-81.4	0	0	112.2	N403 I404 S437 Q439 R443	N403-M441 HydrophobicContact CB-CB 4.17Å; N403-M441 HydrophobicContact CB-CE 4.03Å; N403-M441 HydrophobicContact CB-SD 3.86Å; I404-M441 WeakPolarHBondContact O-CB 3.14Å; S437-M441 WeakPolarHBondContact CB-O 3.35Å; S437-M441 PolarHBondContact N-O 2.82Å; S437-M441 PolarHBondContact OG-N 2.82Å; S437-M441 PolarHBondContact OG-O 3.44Å; Q439-M441 HydrophobicContact CB-CE 3.69Å; M441-R443 PolarHBondContact O-N 3.02Å
442	L	95.3	Very high	92.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	106.9	171.6	-167.7	73.9	0	0	0	109.3	F356 L360 N403 I404 L406 L426 V434 M444	F356-L442 HydrophobicContact CE2-CD2 4.05Å; F356-L442 HydrophobicContact CZ-CD2 4.26Å; L360-L442 HydrophobicContact CD2-CD2 4.27Å; N403-L442 CarbonylContact C-O 3.59Å; N403-L442 WeakPolarHBondContact CA-O 3.46Å; I404-L442 HydrophobicContact CB-CB 4.34Å; I404-L442 HydrophobicContact CD1-CD2 4.42Å; I404-L442 PolarHBondContact N-O 3.35Å; I404-L442 PolarHBondContact O-N 3.17Å; L406-L442 HydrophobicContact CD2-CB 4.34Å; L406-L442 HydrophobicContact CG-CB 4.36Å; L426-L442 HydrophobicContact CD1-CD1 3.89Å; L426-L442 HydrophobicContact CD2-CD1 3.88Å; L426-L442 HydrophobicContact CG-CD1 4.47Å; V434-L442 HydrophobicContact CG1-CD1 3.37Å; V434-L442 HydrophobicContact CG1-CD2 4.33Å; V434-L442 HydrophobicContact CG1-CG 3.67Å; L442-M444 HydrophobicContact CD2-SD 4.05Å; L442-M444 HydrophobicContact CG-SD 4.22Å
443	R	95.4	Very high	92.9	Very high	118 Å²	118	49.5 Å²	49.5	45%	0.445	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	111.6	178.7	174.9	176.4	-93	-175.2	-12.3	110	P401 N403 V434 K435 M441	P401-R443 HydrophobicContact CB-CG 3.63Å; P401-R443 HydrophobicContact CG-CG 4.4Å; N403-R443 WeakPolarHBondContact OD1-CB 3.17Å; N403-R443 PolarHBondContact OD1-NE 2.9Å; V434-R443 WeakPolarHBondContact CA-O 3.41Å; K435-R443 PolarHBondContact N-O 3.06Å; K435-R443 WeakPolarHBondContact O-CB 3.38Å; K435-R443 PolarHBondContact O-N 3.43Å; M441-R443 PolarHBondContact O-N 3.02Å
444	M	95.3	Very high	93.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.3	176.1	-56.5	-62.7	-76.3	0	0	110.1	L359 P401 L402 I404 V434 L442 A448 M449 L452	L359-M444 HydrophobicContact CD2-CE 3.42Å; L359-M444 VanDerWaalsContact CD2-CE 3.42Å; L359-M444 HydrophobicContact CD2-SD 4.27Å; P401-M444 CarbonylContact C-O 3.54Å; P401-M444 WeakPolarHBondContact CA-O 3.5Å; P401-M444 VanDerWaalsContact CB-O 3.25Å; P401-M444 WeakPolarHBondContact CB-O 3.5Å; L402-M444 PolarHBondContact N-O 2.82Å; L402-M444 WeakPolarHBondContact O-CB 3.28Å; L402-M444 PolarHBondContact O-N 3Å; I404-M444 HydrophobicContact CD1-CG 3.51Å; I404-M444 HydrophobicContact CD1-SD 4.17Å; I404-M444 HydrophobicContact CG1-CG 4.26Å; V434-M444 HydrophobicContact CB-SD 4.42Å; V434-M444 HydrophobicContact CG1-SD 3.8Å; V434-M444 HydrophobicContact CG2-CE 4.21Å; V434-M444 HydrophobicContact CG2-SD 3.77Å; L442-M444 HydrophobicContact CD2-SD 4.05Å; L442-M444 HydrophobicContact CG-SD 4.22Å; M444-A448 HydrophobicContact CB-CB 4.25Å; M444-A448 HydrophobicContact CE-CB 3.87Å; M444-M449 HydrophobicContact CB-CG 3.85Å; M444-M449 HydrophobicContact CB-SD 3.77Å; M444-M449 HydrophobicContact CE-SD 4.1Å; M444-M449 HydrophobicContact CG-SD 3.92Å; M444-L452 HydrophobicContact CE-CD1 3.97Å
445	S	94.3	Very high	93.4	Very high	22 Å²	22	55.1 Å²	55.1	15%	0.154	29%	0.286	C	S	.	.			trans	-66.9	165.7	167.3	83.2	0	0	0	0	111.4	F433 D447 A448 M449	F433-S445 WeakPolarHBondContact O-CB 3.35Å; F433-S445 PolarHBondContact O-N 2.8Å; S445-D447 VanDerWaalsContact C-N 3.31Å; S445-D447 PolarHBondContact O-N 3.36Å; S445-D447 PolarHBondContact OG-N 2.85Å; S445-A448 VanDerWaalsContact O-CB 3.31Å; S445-A448 WeakPolarHBondContact O-CB 3.37Å; S445-A448 PolarHBondContact O-N 3.29Å; S445-A448 PolarHBondContact OG-N 3.28Å; S445-M449 PolarHBondContact O-N 2.95Å; S445-M449 VanDerWaalsContact O-N 3.14Å
446	P	92.3	Very high	93.6	Very high	32 Å²	32	49 Å²	49	21%	0.208	26%	0.26	C	S	.	.	H	α-helix	trans	-54.5	-46.1	168.8	-26.3	36.9	0	0	0	112.3	R398 T399 A448 M449 N450	R398-P446 VanDerWaalsContact O-CB 3.28Å; R398-P446 WeakPolarHBondContact O-CB 3.39Å; R398-P446 WeakPolarHBondContact O-CG 3.17Å; T399-P446 VanDerWaalsContact O-CG 3.3Å; T399-P446 WeakPolarHBondContact O-CG 3.2Å; P446-A448 VanDerWaalsContact C-N 3.29Å; P446-A448 PolarHBondContact O-N 2.94Å; P446-M449 PolarHBondContact O-N 3.17Å; P446-M449 VanDerWaalsContact O-N 3.13Å; P446-N450 WeakPolarHBondContact O-CB 3.25Å; P446-N450 VanDerWaalsContact O-CG 3.24Å; P446-N450 PolarHBondContact O-N 3.18Å; P446-N450 PolarHBondContact O-ND2 3.12Å
447	D	91.4	Very high	93.8	Very high	107 Å²	107	46.7 Å²	46.7	57%	0.572	25%	0.252	S	S	*	.	H	α-helix	trans	-61.1	-38.4	178.2	-42.9	-54.2	0	0	0	112.3	S445 N450 T451	S445-D447 VanDerWaalsContact C-N 3.31Å; S445-D447 PolarHBondContact O-N 3.36Å; S445-D447 PolarHBondContact OG-N 2.85Å; D447-N450 PolarHBondContact O-N 3.28Å; D447-T451 WeakPolarHBondContact O-CB 3.19Å; D447-T451 PolarHBondContact O-N 3.38Å; D447-T451 PolarHBondContact O-OG1 3.47Å
448	A	92.8	Very high	94	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.7	-50.3	174.8	0	0	0	0	0	110.6	F433 V434 M444 S445 P446 T451 L452	F433-A448 HydrophobicContact CB-CB 4.15Å; F433-A448 HydrophobicContact CD2-CB 3.39Å; F433-A448 HydrophobicContact CE2-CB 4.12Å; F433-A448 HydrophobicContact CG-CB 4.14Å; V434-A448 HydrophobicContact CG2-CB 4.36Å; M444-A448 HydrophobicContact CB-CB 4.25Å; M444-A448 HydrophobicContact CE-CB 3.87Å; S445-A448 VanDerWaalsContact O-CB 3.31Å; S445-A448 WeakPolarHBondContact O-CB 3.37Å; S445-A448 PolarHBondContact O-N 3.29Å; S445-A448 PolarHBondContact OG-N 3.28Å; P446-A448 VanDerWaalsContact C-N 3.29Å; P446-A448 PolarHBondContact O-N 2.94Å; A448-T451 PolarHBondContact O-N 3.27Å; A448-L452 WeakPolarHBondContact O-CG 3.42Å; A448-L452 PolarHBondContact O-N 3.13Å
449	M	95.1	Very high	94.6	Very high	3 Å²	3	47 Å²	47	2%	0.015	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-46.9	179.2	-67	-63.1	-57.3	0	0	111.3	F387 A394 L402 M444 S445 P446 T451 L452 F453	F387-M449 HydrophobicContact CE2-CE 4.25Å; A394-M449 HydrophobicContact CB-CE 4.09Å; L402-M449 HydrophobicContact CB-CG 4.48Å; L402-M449 HydrophobicContact CD1-CE 4.05Å; L402-M449 HydrophobicContact CD1-CG 4.03Å; L402-M449 HydrophobicContact CD1-SD 4.38Å; M444-M449 HydrophobicContact CB-CG 3.85Å; M444-M449 HydrophobicContact CB-SD 3.77Å; M444-M449 HydrophobicContact CE-SD 4.1Å; M444-M449 HydrophobicContact CG-SD 3.92Å; S445-M449 PolarHBondContact O-N 2.95Å; S445-M449 VanDerWaalsContact O-N 3.14Å; P446-M449 PolarHBondContact O-N 3.17Å; P446-M449 VanDerWaalsContact O-N 3.13Å; M449-T451 PolarHBondContact O-N 3.31Å; M449-L452 WeakPolarHBondContact O-CB 3.29Å; M449-L452 PolarHBondContact O-N 3.34Å; M449-L452 HydrophobicContact SD-CD1 4.26Å; M449-F453 HydrophobicContact CE-CE2 4.37Å; M449-F453 VanDerWaalsContact O-CD2 3.31Å; M449-F453 WeakPolarHBondContact O-CD2 3.12Å; M449-F453 PolarHBondContact O-N 3.25Å
450	N	93.5	Very high	95.1	Very high	56 Å²	56	40.2 Å²	40.2	30%	0.299	21%	0.208	S	C	.	.	H	α-helix	trans	-58.1	-38.4	178.1	-67.6	-15.5	0	0	0	111.8	P446 D447 L452 F453 K454 L490	P446-N450 WeakPolarHBondContact O-CB 3.25Å; P446-N450 VanDerWaalsContact O-CG 3.24Å; P446-N450 PolarHBondContact O-N 3.18Å; P446-N450 PolarHBondContact O-ND2 3.12Å; D447-N450 PolarHBondContact O-N 3.28Å; N450-L452 VanDerWaalsContact C-N 3.34Å; N450-L452 PolarHBondContact O-N 3.29Å; N450-F453 PolarHBondContact O-N 3.32Å; N450-K454 PolarHBondContact O-N 2.92Å; N450-L490 WeakPolarHBondContact OD1-CD2 3.48Å
451	T	94.4	Very high	95.5	Very high	77 Å²	77	40.8 Å²	40.8	47%	0.472	21%	0.205	S	C	.	.	H	α-helix	trans	-61.2	-38.4	176.1	-58.5	0	0	0	0	112.3	D447 A448 M449 F453 K454	D447-T451 WeakPolarHBondContact O-CB 3.19Å; D447-T451 PolarHBondContact O-N 3.38Å; D447-T451 PolarHBondContact O-OG1 3.47Å; A448-T451 PolarHBondContact O-N 3.27Å; M449-T451 PolarHBondContact O-N 3.31Å; T451-F453 VanDerWaalsContact C-N 3.29Å; T451-F453 PolarHBondContact O-N 3.49Å; T451-K454 PolarHBondContact O-N 3.34Å
452	L	96.9	Very high	95.7	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-33	177.5	-55.4	-179.9	0	0	0	112.7	V352 E355 F356 L359 F387 M444 A448 M449 N450	V352-L452 HydrophobicContact CG1-CB 3.86Å; E355-L452 HydrophobicContact CB-CB 4.26Å; E355-L452 HydrophobicContact CB-CD2 3.99Å; F356-L452 HydrophobicContact CB-CD1 4.16Å; F356-L452 HydrophobicContact CD2-CD1 4.06Å; L359-L452 HydrophobicContact CB-CD2 4.34Å; L359-L452 HydrophobicContact CD2-CD2 4.02Å; F387-L452 HydrophobicContact CE2-CD1 3.68Å; F387-L452 HydrophobicContact CZ-CD1 3.77Å; M444-L452 HydrophobicContact CE-CD1 3.97Å; A448-L452 WeakPolarHBondContact O-CG 3.42Å; A448-L452 PolarHBondContact O-N 3.13Å; M449-L452 WeakPolarHBondContact O-CB 3.29Å; M449-L452 PolarHBondContact O-N 3.34Å; M449-L452 HydrophobicContact SD-CD1 4.26Å; N450-L452 VanDerWaalsContact C-N 3.34Å; N450-L452 PolarHBondContact O-N 3.29Å
453	F	97.5	Very high	95.7	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	23%	0.228	C	C	.	.	H	α-helix	trans	-81.4	-30	179.2	-77.2	-112.5	0	0	0	112.1	V352 K391 A394 M449 N450 T451 L455 T456 I457 F485 S488 L490	V352-F453 HydrophobicContact CG1-CD2 3.6Å; V352-F453 HydrophobicContact CG1-CE2 3.66Å; V352-F453 HydrophobicContact CG1-CG 4.08Å; V352-F453 HydrophobicContact CG1-CZ 4.16Å; V352-F453 HydrophobicContact CG2-CD1 4.05Å; V352-F453 HydrophobicContact CG2-CD2 4.48Å; V352-F453 HydrophobicContact CG2-CE1 4.36Å; V352-F453 HydrophobicContact CG2-CG 4.14Å; K391-F453 HydrophobicContact CD-CZ 4.43Å; K391-F453 HydrophobicContact CG-CE1 4.37Å; K391-F453 HydrophobicContact CG-CE2 3.93Å; K391-F453 HydrophobicContact CG-CZ 3.48Å; K391-F453 VanDerWaalsContact CG-CZ 3.48Å; K391-F453 WeakPolarHBondContact O-CZ 3.37Å; A394-F453 HydrophobicContact CB-CE2 3.93Å; A394-F453 HydrophobicContact CB-CZ 4Å; M449-F453 HydrophobicContact CE-CE2 4.37Å; M449-F453 VanDerWaalsContact O-CD2 3.31Å; M449-F453 WeakPolarHBondContact O-CD2 3.12Å; M449-F453 PolarHBondContact O-N 3.25Å; N450-F453 PolarHBondContact O-N 3.32Å; T451-F453 VanDerWaalsContact C-N 3.29Å; T451-F453 PolarHBondContact O-N 3.49Å; F453-L455 PolarHBondContact O-N 3.4Å; F453-T456 PolarHBondContact O-N 2.71Å; F453-I457 HydrophobicContact CB-CD1 3.9Å; F453-I457 HydrophobicContact CB-CG1 4.4Å; F453-I457 HydrophobicContact CD1-CD1 4.31Å; F453-I457 PolarHBondContact O-N 3.3Å; F453-F485 HydrophobicContact CD1-CE2 4.11Å; F453-F485 HydrophobicContact CD1-CZ 4.27Å; F453-F485 AromaticContact CE1-CE2 3.92Å; F453-F485 HydrophobicContact CE1-CE2 3.92Å; F453-S488 WeakPolarHBondContact CE1-OG 3.48Å; F453-L490 HydrophobicContact CB-CD1 4.17Å; F453-L490 HydrophobicContact CD1-CB 4.28Å; F453-L490 HydrophobicContact CD1-CD1 3.83Å; F453-L490 HydrophobicContact CD2-CD1 3.83Å; F453-L490 HydrophobicContact CE1-CD1 4.08Å; F453-L490 HydrophobicContact CE2-CD1 4.07Å; F453-L490 HydrophobicContact CG-CD1 3.69Å; F453-L490 HydrophobicContact CZ-CD1 4.18Å
454	K	95.8	Very high	95.7	Very high	119 Å²	119	40.1 Å²	40.1	52%	0.517	21%	0.207	S	C	.	.	H	α-helix	trans	-49.4	-55.8	-168.5	177.5	159.9	176.2	51.6	0	113.4	N450 T451 T456 I457 D458	N450-K454 PolarHBondContact O-N 2.92Å; T451-K454 PolarHBondContact O-N 3.34Å; K454-T456 VanDerWaalsContact C-N 3.25Å; K454-T456 PolarHBondContact O-N 2.81Å; K454-I457 PolarHBondContact O-N 3.37Å; K454-D458 VanDerWaalsContact CE-OD2 3.3Å; K454-D458 WeakPolarHBondContact CE-OD2 3.12Å; K454-D458 WeakPolarHBondContact CG-OD2 3.34Å; K454-D458 IonicContact NZ-OD1 3.48Å; K454-D458 PolarHBondContact NZ-OD1 3.02Å; K454-D458 IonicContact NZ-OD2 2.73Å; K454-D458 PolarHBondContact NZ-OD2 3.33Å; K454-D458 WeakPolarHBondContact O-CB 3.08Å; K454-D458 PolarHBondContact O-N 3.31Å
455	L	97	Very high	95.7	Very high	72 Å²	72	42.1 Å²	42.1	38%	0.377	22%	0.219	S	C	.	.	H	α-helix	trans	-59.6	-37	-177.9	-177.4	64.6	0	0	0	112.8	E355 F453 H459	E355-L455 WeakPolarHBondContact OE1-CD2 3.38Å; F453-L455 PolarHBondContact O-N 3.4Å; L455-H459 VanDerWaalsContact CD1-CE1 3.48Å; L455-H459 WeakPolarHBondContact CD1-CE1 3.44Å; L455-H459 PolarHBondContact O-N 3.49Å; L455-H459 PolarHBondContact O-ND1 2.87Å
456	T	97.4	Very high	95.7	Very high	6 Å²	6	44.9 Å²	44.9	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-71.2	-45.3	-179.9	-53.6	0	0	0	0	110.5	Y347 G351 V352 F453 K454 I460 F485	Y347-T456 WeakPolarHBondContact O-CG2 3.32Å; G351-T456 VanDerWaalsContact C-OG1 3.32Å; G351-T456 WeakPolarHBondContact CA-OG1 3.36Å; V352-T456 HydrophobicContact CG2-CG2 4.45Å; V352-T456 PolarHBondContact N-OG1 3.22Å; F453-T456 PolarHBondContact O-N 2.71Å; K454-T456 VanDerWaalsContact C-N 3.25Å; K454-T456 PolarHBondContact O-N 2.81Å; T456-I460 HydrophobicContact CG2-CD1 4.39Å; T456-I460 WeakPolarHBondContact O-CG1 3.23Å; T456-I460 PolarHBondContact O-N 3.26Å; T456-F485 HydrophobicContact CG2-CE1 3.79Å; T456-F485 HydrophobicContact CG2-CZ 4.15Å
457	I	97.9	Very high	95.7	Very high	16 Å²	16	43.6 Å²	43.6	8%	0.082	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-44	177.6	-68.9	179.4	0	0	0	111.1	F453 K454 H459 I460 I461 L490 L491 A494	F453-I457 HydrophobicContact CB-CD1 3.9Å; F453-I457 HydrophobicContact CB-CG1 4.4Å; F453-I457 HydrophobicContact CD1-CD1 4.31Å; F453-I457 PolarHBondContact O-N 3.3Å; K454-I457 PolarHBondContact O-N 3.37Å; I457-H459 VanDerWaalsContact C-N 3.33Å; I457-H459 PolarHBondContact O-N 3.49Å; I457-I460 WeakPolarHBondContact O-CB 3.48Å; I457-I460 PolarHBondContact O-N 3.18Å; I457-I460 VanDerWaalsContact O-N 3.07Å; I457-I461 HydrophobicContact CG2-CG1 3.92Å; I457-I461 WeakPolarHBondContact O-CG1 3.42Å; I457-I461 PolarHBondContact O-N 3.39Å; I457-L490 HydrophobicContact CD1-CB 3.88Å; I457-L491 HydrophobicContact CG1-CD1 4.34Å; I457-A494 HydrophobicContact CG2-CB 3.35Å
458	D	97.8	Very high	95.8	Very high	66 Å²	66	39.8 Å²	39.8	35%	0.353	20%	0.199	S	C	.	.	H	α-helix	trans	-56.7	-44.8	-179.8	-70.7	-16.7	0	0	0	111.3	K454 I460 I461 Q462	K454-D458 VanDerWaalsContact CE-OD2 3.3Å; K454-D458 WeakPolarHBondContact CE-OD2 3.12Å; K454-D458 WeakPolarHBondContact CG-OD2 3.34Å; K454-D458 IonicContact NZ-OD1 3.48Å; K454-D458 PolarHBondContact NZ-OD1 3.02Å; K454-D458 IonicContact NZ-OD2 2.73Å; K454-D458 PolarHBondContact NZ-OD2 3.33Å; K454-D458 WeakPolarHBondContact O-CB 3.08Å; K454-D458 PolarHBondContact O-N 3.31Å; D458-I460 PolarHBondContact O-N 3.27Å; D458-I461 PolarHBondContact O-N 2.86Å; D458-Q462 VanDerWaalsContact O-CB 3.29Å; D458-Q462 WeakPolarHBondContact O-CB 3.45Å; D458-Q462 PolarHBondContact O-N 3.37Å
459	H	97.3	Very high	95.8	Very high	83 Å²	83	46.5 Å²	46.5	38%	0.384	23%	0.231	S	C	.	.	H	α-helix	trans	-62.8	-39.7	175.5	-66.2	141	0	0	0	113	Y347 L455 I457 H463	Y347-H459 HydrophobicContact CD1-CB 3.67Å; Y347-H459 HydrophobicContact CD2-CB 4.41Å; Y347-H459 HydrophobicContact CE1-CB 3.93Å; Y347-H459 HydrophobicContact CG-CB 3.94Å; L455-H459 VanDerWaalsContact CD1-CE1 3.48Å; L455-H459 WeakPolarHBondContact CD1-CE1 3.44Å; L455-H459 PolarHBondContact O-N 3.49Å; L455-H459 PolarHBondContact O-ND1 2.87Å; I457-H459 VanDerWaalsContact C-N 3.33Å; I457-H459 PolarHBondContact O-N 3.49Å; H459-H463 WeakPolarHBondContact O-CB 3.23Å; H459-H463 PolarHBondContact O-N 3.07Å
460	I	97.7	Very high	95.6	Very high	3 Å²	3	50 Å²	50	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-46.3	177.4	-67	168.9	0	0	0	110.6	M315 V322 T456 I457 D458 H463 L464 F485 L491	M315-I460 HydrophobicContact CE-CG2 3.1Å; V322-I460 HydrophobicContact CG2-CD1 3.88Å; V322-I460 HydrophobicContact CG2-CG1 3.96Å; T456-I460 HydrophobicContact CG2-CD1 4.39Å; T456-I460 WeakPolarHBondContact O-CG1 3.23Å; T456-I460 PolarHBondContact O-N 3.26Å; I457-I460 WeakPolarHBondContact O-CB 3.48Å; I457-I460 PolarHBondContact O-N 3.18Å; I457-I460 VanDerWaalsContact O-N 3.07Å; D458-I460 PolarHBondContact O-N 3.27Å; I460-H463 PolarHBondContact O-N 2.87Å; I460-L464 VanDerWaalsContact O-CB 3.29Å; I460-L464 WeakPolarHBondContact O-CB 3.47Å; I460-L464 PolarHBondContact O-N 3.28Å; I460-F485 HydrophobicContact CD1-CD1 4.28Å; I460-F485 HydrophobicContact CD1-CE1 3.8Å; I460-L491 HydrophobicContact CD1-CD1 3.88Å; I460-L491 HydrophobicContact CG2-CD1 4.08Å
461	I	97.6	Very high	95.4	Very high	34 Å²	34	52.6 Å²	52.6	17%	0.174	27%	0.266	C	S	.	.	H	α-helix	trans	-66.8	-39.3	-179.9	-66.6	-56.2	0	0	0	111.3	I457 D458 L464 T465 A494 V495 M498	I457-I461 HydrophobicContact CG2-CG1 3.92Å; I457-I461 WeakPolarHBondContact O-CG1 3.42Å; I457-I461 PolarHBondContact O-N 3.39Å; D458-I461 PolarHBondContact O-N 2.86Å; I461-L464 PolarHBondContact O-N 2.78Å; I461-T465 WeakPolarHBondContact O-CB 3.07Å; I461-T465 PolarHBondContact O-N 2.95Å; I461-T465 PolarHBondContact O-OG1 2.93Å; I461-A494 HydrophobicContact CD1-CB 4.04Å; I461-A494 WeakPolarHBondContact CD1-O 3.49Å; I461-A494 HydrophobicContact CG1-CB 4.14Å; I461-V495 HydrophobicContact CD1-CG2 3.96Å; I461-M498 HydrophobicContact CD1-CB 4.11Å; I461-M498 HydrophobicContact CG2-CB 4.06Å; I461-M498 HydrophobicContact CG2-CG 3.9Å
462	Q	96.8	Very high	95	Very high	105 Å²	105	52.6 Å²	52.6	49%	0.491	26%	0.261	S	S	.	.	H	α-helix	trans	-61	-52.7	174.2	-178.1	60.5	34.5	0	0	111.1	D458 L464 T465 E466	D458-Q462 VanDerWaalsContact O-CB 3.29Å; D458-Q462 WeakPolarHBondContact O-CB 3.45Å; D458-Q462 PolarHBondContact O-N 3.37Å; Q462-L464 VanDerWaalsContact C-N 3.32Å; Q462-L464 PolarHBondContact O-N 3.34Å; Q462-T465 WeakPolarHBondContact O-CB 3.39Å; Q462-T465 PolarHBondContact O-N 2.87Å; Q462-T465 VanDerWaalsContact O-N 3.14Å; Q462-E466 WeakPolarHBondContact CG-OE1 3.44Å; Q462-E466 PolarHBondContact NE2-OE1 3.06Å; Q462-E466 WeakPolarHBondContact O-CG 3.05Å; Q462-E466 PolarHBondContact O-N 2.88Å
463	H	95.9	Very high	94.6	Very high	32 Å²	32	52.4 Å²	52.4	15%	0.148	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-42	178.5	-174.3	90.4	0	0	0	112.3	S343 G344 Y347 H459 I460 T465 E466 L467	S343-H463 PolarHBondContact OG-NE2 3.17Å; G344-H463 PolarHBondContact N-CE1 2.68Å; G344-H463 VanDerWaalsContact N-CE1 3.32Å; G344-H463 PolarHBondContact N-NE2 2.8Å; Y347-H463 HydrophobicContact CE2-CB 4.22Å; H459-H463 WeakPolarHBondContact O-CB 3.23Å; H459-H463 PolarHBondContact O-N 3.07Å; I460-H463 PolarHBondContact O-N 2.87Å; H463-T465 VanDerWaalsContact C-N 3.33Å; H463-T465 PolarHBondContact O-N 3.04Å; H463-E466 PolarHBondContact O-N 2.93Å; H463-L467 WeakPolarHBondContact O-CB 3.08Å; H463-L467 PolarHBondContact O-N 2.69Å
464	L	94.9	Very high	94.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.2	-32.9	178.6	-170.8	62.4	0	0	0	111.9	M315 L324 I460 I461 Q462 F468 L479 V495 M498	M315-L464 HydrophobicContact CE-CD2 4.05Å; M315-L464 HydrophobicContact SD-CD1 4.39Å; M315-L464 HydrophobicContact SD-CD2 3.87Å; L324-L464 HydrophobicContact CD2-CD1 3.54Å; I460-L464 VanDerWaalsContact O-CB 3.29Å; I460-L464 WeakPolarHBondContact O-CB 3.47Å; I460-L464 PolarHBondContact O-N 3.28Å; I461-L464 PolarHBondContact O-N 2.78Å; Q462-L464 VanDerWaalsContact C-N 3.32Å; Q462-L464 PolarHBondContact O-N 3.34Å; L464-F468 HydrophobicContact CD1-CD2 3.95Å; L464-F468 HydrophobicContact CD1-CE2 3.61Å; L464-F468 HydrophobicContact CG-CD2 4.31Å; L464-F468 HydrophobicContact CG-CE2 4.23Å; L464-F468 VanDerWaalsContact O-CD2 3.24Å; L464-F468 WeakPolarHBondContact O-CD2 3.3Å; L464-F468 PolarHBondContact O-N 3.38Å; L464-L479 HydrophobicContact CD1-CD1 3.94Å; L464-L479 HydrophobicContact CD2-CD1 3.99Å; L464-V495 HydrophobicContact CD2-CG1 4.04Å; L464-V495 HydrophobicContact CD2-CG2 4.44Å; L464-M498 HydrophobicContact CB-CE 4.03Å; L464-M498 HydrophobicContact CD2-CE 3.24Å; L464-M498 HydrophobicContact CG-CE 3.38Å
465	T	94.9	Very high	93.8	Very high	41 Å²	41	54.9 Å²	54.9	25%	0.252	28%	0.282	S	S	.	.	H	α-helix	trans	-66	-51	172.8	-56	0	0	0	0	110.8	I461 Q462 H463 L467 F468 E469	I461-T465 WeakPolarHBondContact O-CB 3.07Å; I461-T465 PolarHBondContact O-N 2.95Å; I461-T465 PolarHBondContact O-OG1 2.93Å; Q462-T465 WeakPolarHBondContact O-CB 3.39Å; Q462-T465 PolarHBondContact O-N 2.87Å; Q462-T465 VanDerWaalsContact O-N 3.14Å; H463-T465 VanDerWaalsContact C-N 3.33Å; H463-T465 PolarHBondContact O-N 3.04Å; T465-L467 PolarHBondContact O-N 3.07Å; T465-F468 PolarHBondContact O-N 3.36Å; T465-F468 VanDerWaalsContact O-N 3.1Å; T465-E469 PolarHBondContact O-N 2.85Å; T465-E469 VanDerWaalsContact O-N 3.14Å
466	E	94.4	Very high	93.6	Very high	81 Å²	81	51.7 Å²	51.7	38%	0.379	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-30.5	178.2	-70.3	173.8	-160.6	0	0	113.6	Q462 H463 K470	Q462-E466 WeakPolarHBondContact CG-OE1 3.44Å; Q462-E466 PolarHBondContact NE2-OE1 3.06Å; Q462-E466 WeakPolarHBondContact O-CG 3.05Å; Q462-E466 PolarHBondContact O-N 2.88Å; H463-E466 PolarHBondContact O-N 2.93Å; E466-K470 VanDerWaalsContact O-CE 3.22Å; E466-K470 WeakPolarHBondContact O-CE 3.23Å
467	L	93.4	Very high	93.3	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-71.5	-42.9	174.9	-177.6	63.6	0	0	0	111.6	L324 V326 Y340 H463 T465 E469 K470 V473	L324-L467 HydrophobicContact CB-CD2 4.02Å; L324-L467 HydrophobicContact CD2-CD2 3.75Å; V326-L467 HydrophobicContact CG2-CD1 4.18Å; V326-L467 HydrophobicContact CG2-CD2 4.21Å; V326-L467 HydrophobicContact CG2-CG 4.47Å; Y340-L467 HydrophobicContact CD1-CD1 3.67Å; Y340-L467 HydrophobicContact CE1-CD1 3.88Å; Y340-L467 HydrophobicContact CG-CD1 4.33Å; H463-L467 WeakPolarHBondContact O-CB 3.08Å; H463-L467 PolarHBondContact O-N 2.69Å; T465-L467 PolarHBondContact O-N 3.07Å; L467-E469 PolarHBondContact O-N 3.05Å; L467-K470 WeakPolarHBondContact O-CB 3.34Å; L467-K470 WeakPolarHBondContact O-CG 3.4Å; L467-K470 PolarHBondContact O-N 3.29Å; L467-V473 HydrophobicContact CD1-CG2 4.07Å; L467-V473 HydrophobicContact CG-CG1 4.3Å; L467-V473 HydrophobicContact CG-CG2 4.48Å; L467-V473 WeakPolarHBondContact O-CB 3.41Å
468	F	92.7	Very high	92.9	Very high	28 Å²	28	53.8 Å²	53.8	12%	0.123	27%	0.273	C	S	.	.	H	α-helix	trans	-73.4	-11.2	178.6	-87.3	-115.1	0	0	0	113.6	V313 L464 T465 I476 L479 L499	V313-F468 HydrophobicContact CG2-CE2 4.06Å; V313-F468 HydrophobicContact CG2-CZ 4.21Å; L464-F468 HydrophobicContact CD1-CD2 3.95Å; L464-F468 HydrophobicContact CD1-CE2 3.61Å; L464-F468 HydrophobicContact CG-CD2 4.31Å; L464-F468 HydrophobicContact CG-CE2 4.23Å; L464-F468 VanDerWaalsContact O-CD2 3.24Å; L464-F468 WeakPolarHBondContact O-CD2 3.3Å; L464-F468 PolarHBondContact O-N 3.38Å; T465-F468 PolarHBondContact O-N 3.36Å; T465-F468 VanDerWaalsContact O-N 3.1Å; F468-I476 HydrophobicContact CE1-CB 3.93Å; F468-I476 HydrophobicContact CE1-CG1 4.01Å; F468-I476 HydrophobicContact CE1-CG2 4.23Å; F468-I476 HydrophobicContact CZ-CB 4.13Å; F468-I476 HydrophobicContact CZ-CG1 4.14Å; F468-I476 HydrophobicContact CZ-CG2 3.95Å; F468-L479 HydrophobicContact CE2-CD1 4.38Å; F468-L479 HydrophobicContact CZ-CD1 4.34Å; F468-L499 HydrophobicContact CD1-CD2 4.08Å; F468-L499 HydrophobicContact CE1-CD2 3.51Å; F468-L499 HydrophobicContact CE2-CD2 4.41Å; F468-L499 HydrophobicContact CZ-CD2 3.69Å
469	E	92.9	Very high	92.7	Very high	140 Å²	140	50.6 Å²	50.6	65%	0.654	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.9	169.8	-71.4	177.1	172.3	0	0	113.5	T465 L467	T465-E469 PolarHBondContact O-N 2.85Å; T465-E469 VanDerWaalsContact O-N 3.14Å; L467-E469 PolarHBondContact O-N 3.05Å
470	K	91.4	Very high	92.6	Very high	76 Å²	76	46.7 Å²	46.7	33%	0.33	24%	0.238	S	C	.	.	S	Bend	trans	-75.9	133.7	179.4	-56.3	-50.1	177.7	-152.8	0	111.1	Y340 E466 L467 E472 V473	Y340-K470 HydrophobicContact CE2-CB 4.48Å; Y340-K470 HydrophobicContact CE2-CG 4.09Å; E466-K470 VanDerWaalsContact O-CE 3.22Å; E466-K470 WeakPolarHBondContact O-CE 3.23Å; L467-K470 WeakPolarHBondContact O-CB 3.34Å; L467-K470 WeakPolarHBondContact O-CG 3.4Å; L467-K470 PolarHBondContact O-N 3.29Å; K470-E472 PolarHBondContact O-N 2.96Å; K470-E472 VanDerWaalsContact O-N 3.13Å; K470-V473 HydrophobicContact CB-CB 4.35Å; K470-V473 HydrophobicContact CB-CG2 3.9Å; K470-V473 WeakPolarHBondContact O-CA 3.44Å; K470-V473 PolarHBondContact O-N 3.07Å
471	P	88.6	Confident	92.5	Very high	112 Å²	112	46.6 Å²	46.6	73%	0.727	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-55.6	-31.4	178.6	-27.1	35.5	0	0	0	114.5	V473	P471-V473 PolarHBondContact O-N 2.88Å
472	E	85.9	Confident	92.4	Very high	77 Å²	77	45 Å²	45	36%	0.36	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-72.3	-11.5	177	-55.9	96.3	140.5	0	0	113.8	Y340 K470 R533	Y340-E472 HydrophobicContact CD2-CB 4.49Å; K470-E472 PolarHBondContact O-N 2.96Å; K470-E472 VanDerWaalsContact O-N 3.13Å; E472-R533 IonicContact OE1-NH1 2.67Å
473	V	89.3	Confident	92.2	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-117.1	33.1	-174	-163.7	0	0	0	0	110.4	V313 V326 Y340 L467 K470 P471 I476	V313-V473 HydrophobicContact CG2-CG1 4.46Å; V326-V473 HydrophobicContact CG1-CG1 4.07Å; V326-V473 HydrophobicContact CG1-CG2 4.25Å; V326-V473 HydrophobicContact CG2-CG1 4.08Å; V326-V473 HydrophobicContact CG2-CG2 3.97Å; Y340-V473 HydrophobicContact CG-CG2 4.35Å; L467-V473 HydrophobicContact CD1-CG2 4.07Å; L467-V473 HydrophobicContact CG-CG1 4.3Å; L467-V473 HydrophobicContact CG-CG2 4.48Å; L467-V473 WeakPolarHBondContact O-CB 3.41Å; K470-V473 HydrophobicContact CB-CB 4.35Å; K470-V473 HydrophobicContact CB-CG2 3.9Å; K470-V473 WeakPolarHBondContact O-CA 3.44Å; K470-V473 PolarHBondContact O-N 3.07Å; P471-V473 PolarHBondContact O-N 2.88Å; V473-I476 HydrophobicContact CG1-CD1 3.83Å; V473-I476 HydrophobicContact CG1-CG1 3.87Å
474	S	86.9	Confident	92	Very high	45 Å²	45	40.8 Å²	40.8	32%	0.315	22%	0.223	S	C	.	.			trans	-75.7	160.4	166.4	77.2	0	0	0	0	111.5	R311 I476	R311-S474 VanDerWaalsContact CD-O 3.25Å; R311-S474 WeakPolarHBondContact CD-O 3.31Å; R311-S474 PolarHBondContact NH1-O 3.37Å; R311-S474 PolarHBondContact NH1-OG 2.91Å; S474-I476 PolarHBondContact O-N 2.97Å
475	D	89.1	Confident	92	Very high	129 Å²	129	41.2 Å²	41.2	69%	0.69	23%	0.225	S	C	*	.	S	Bend	trans	58.5	40	164.9	-43.5	-58.4	0	0	0	114.8	K477	D475-K477 PolarHBondContact O-N 3.28Å
476	I	92.5	Very high	92	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	108.2	178.1	-57.9	-52.6	0	0	0	110.4	R311 V313 V326 F468 V473 S474 F478 S503	R311-I476 HydrophobicContact CB-CD1 3.81Å; V313-I476 HydrophobicContact CB-CG2 4.4Å; V313-I476 HydrophobicContact CG2-CD1 4.11Å; V313-I476 HydrophobicContact CG2-CG1 4.13Å; V313-I476 HydrophobicContact CG2-CG2 3.81Å; V326-I476 HydrophobicContact CG1-CD1 4.07Å; F468-I476 HydrophobicContact CE1-CB 3.93Å; F468-I476 HydrophobicContact CE1-CG1 4.01Å; F468-I476 HydrophobicContact CE1-CG2 4.23Å; F468-I476 HydrophobicContact CZ-CB 4.13Å; F468-I476 HydrophobicContact CZ-CG1 4.14Å; F468-I476 HydrophobicContact CZ-CG2 3.95Å; V473-I476 HydrophobicContact CG1-CD1 3.83Å; V473-I476 HydrophobicContact CG1-CG1 3.87Å; S474-I476 PolarHBondContact O-N 2.97Å; I476-F478 VanDerWaalsContact CG2-O 3.23Å; I476-F478 WeakPolarHBondContact CG2-O 3.31Å; I476-S503 VanDerWaalsContact O-CB 3.26Å; I476-S503 WeakPolarHBondContact O-CB 3.39Å; I476-S503 PolarHBondContact O-OG 3.37Å
477	K	90.9	Very high	91.9	Very high	65 Å²	65	40.6 Å²	40.6	28%	0.283	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-43.5	-179.6	-172.6	163.5	168.8	174.3	0	112.1	E305 L306 D310 R311 D475 R504	E305-K477 WeakPolarHBondContact O-CE 3.26Å; E305-K477 PolarHBondContact O-NZ 3.35Å; L306-K477 HydrophobicContact CD2-CD 3.89Å; D310-K477 HydrophobicContact CB-CD 4.49Å; D310-K477 VanDerWaalsContact OD1-CD 3.26Å; D310-K477 WeakPolarHBondContact OD1-CD 3.25Å; D310-K477 IonicContact OD1-NZ 3.61Å; D310-K477 WeakPolarHBondContact OD2-CD 3.32Å; D310-K477 IonicContact OD2-NZ 3.32Å; D310-K477 PolarHBondContact OD2-NZ 3.32Å; R311-K477 PolarHBondContact O-N 3.38Å; D475-K477 PolarHBondContact O-N 3.28Å; K477-R504 PolarHBondContact O-N 3.31Å
478	F	90.5	Very high	92	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.7	179.6	-61.8	-66.2	0	0	0	113	L302 L306 Y312 V313 I476 F480 R504 I506	L302-F478 HydrophobicContact CD1-CD1 4.42Å; L302-F478 HydrophobicContact CD1-CE1 3.59Å; L302-F478 HydrophobicContact CD1-CZ 3.64Å; L302-F478 HydrophobicContact CD2-CD1 4.31Å; L302-F478 HydrophobicContact CD2-CE1 4.21Å; L302-F478 HydrophobicContact CD2-CZ 4.32Å; L302-F478 HydrophobicContact CG-CE1 4.03Å; L302-F478 HydrophobicContact CG-CE2 4.21Å; L302-F478 HydrophobicContact CG-CZ 3.81Å; L306-F478 HydrophobicContact CD1-CD2 4.15Å; L306-F478 HydrophobicContact CD1-CE2 4.03Å; L306-F478 HydrophobicContact CD2-CD2 3.82Å; L306-F478 HydrophobicContact CD2-CE2 3.63Å; L306-F478 HydrophobicContact CG-CD2 4.26Å; L306-F478 HydrophobicContact CG-CE2 3.8Å; Y312-F478 CarbonylContact C-O 3.53Å; Y312-F478 WeakPolarHBondContact CA-O 3.39Å; Y312-F478 VanDerWaalsContact CB-O 3.3Å; Y312-F478 WeakPolarHBondContact CB-O 3.41Å; V313-F478 PolarHBondContact N-O 3.46Å; I476-F478 VanDerWaalsContact CG2-O 3.23Å; I476-F478 WeakPolarHBondContact CG2-O 3.31Å; F478-F480 HydrophobicContact CB-CD2 4.47Å; F478-F480 HydrophobicContact CB-CE2 3.98Å; F478-F480 HydrophobicContact CB-CZ 4.31Å; F478-R504 WeakPolarHBondContact CA-O 3.46Å; F478-R504 HydrophobicContact CD1-CB 3.72Å; F478-R504 HydrophobicContact CE1-CB 3.93Å; F478-I506 HydrophobicContact CD1-CD1 4.28Å; F478-I506 HydrophobicContact CD1-CG1 3.82Å; F478-I506 HydrophobicContact CE1-CD1 4.49Å; F478-I506 HydrophobicContact CE1-CG1 4.43Å
479	L	94.2	Very high	92.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	115.8	159.7	-175.6	149.5	0	0	0	108.5	V313 M315 L464 F468 L481 V495 L499 R504 I505 I506	V313-L479 HydrophobicContact CB-CD1 4.44Å; V313-L479 HydrophobicContact CB-CG 4.34Å; V313-L479 HydrophobicContact CG1-CD1 4.31Å; V313-L479 HydrophobicContact CG1-CG 4.43Å; V313-L479 WeakPolarHBondContact O-CA 3.47Å; M315-L479 HydrophobicContact CB-CD2 4.23Å; M315-L479 HydrophobicContact CB-CG 4.5Å; M315-L479 HydrophobicContact SD-CD1 4.24Å; M315-L479 HydrophobicContact SD-CD2 4.14Å; L464-L479 HydrophobicContact CD1-CD1 3.94Å; L464-L479 HydrophobicContact CD2-CD1 3.99Å; F468-L479 HydrophobicContact CE2-CD1 4.38Å; F468-L479 HydrophobicContact CZ-CD1 4.34Å; L479-L481 HydrophobicContact CD2-CB 3.86Å; L479-V495 HydrophobicContact CD2-CG1 4.31Å; L479-L499 HydrophobicContact CB-CD1 4.27Å; L479-L499 HydrophobicContact CD1-CD1 4.04Å; L479-R504 PolarHBondContact N-O 3.04Å; L479-I505 HydrophobicContact CD2-CG2 4.23Å; L479-I505 WeakPolarHBondContact O-CA 3.32Å; L479-I506 PolarHBondContact O-N 3.23Å
480	F	94.3	Very high	92.2	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109.8	171.7	-64.6	-82.1	0	0	0	109.3	C244 L302 Y312 V313 V314 M315 F478 V482 I506	C244-F480 HydrophobicContact CB-CD1 3.7Å; C244-F480 HydrophobicContact CB-CE1 3.78Å; C244-F480 HydrophobicContact CB-CG 4.14Å; C244-F480 HydrophobicContact CB-CZ 4.28Å; L302-F480 HydrophobicContact CD2-CE1 3.65Å; L302-F480 HydrophobicContact CD2-CZ 3.73Å; Y312-F480 AromaticContact CD2-CD2 3.65Å; Y312-F480 HydrophobicContact CD2-CD2 3.65Å; Y312-F480 AromaticContact CD2-CE2 3.61Å; Y312-F480 HydrophobicContact CD2-CE2 3.61Å; Y312-F480 HydrophobicContact CE2-CD2 4.27Å; Y312-F480 HydrophobicContact CE2-CE2 4.19Å; Y312-F480 HydrophobicContact CG-CD2 4.39Å; Y312-F480 HydrophobicContact CG-CE2 4.02Å; V313-F480 PolarHBondContact O-N 3.16Å; V314-F480 HydrophobicContact CG1-CB 4.5Å; V314-F480 HydrophobicContact CG2-CB 4.34Å; V314-F480 HydrophobicContact CG2-CD2 4.25Å; M315-F480 PolarHBondContact N-O 3.46Å; F478-F480 HydrophobicContact CB-CD2 4.47Å; F478-F480 HydrophobicContact CB-CE2 3.98Å; F478-F480 HydrophobicContact CB-CZ 4.31Å; F480-V482 HydrophobicContact CB-CG1 4.23Å; F480-I506 WeakPolarHBondContact CA-O 3.39Å; F480-I506 HydrophobicContact CD1-CB 3.79Å; F480-I506 HydrophobicContact CD1-CG2 3.81Å; F480-I506 HydrophobicContact CE1-CB 3.96Å; F480-I506 HydrophobicContact CE1-CG1 4.35Å; F480-I506 HydrophobicContact CE1-CG2 3.79Å
481	L	95.7	Very high	92.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	109.7	178	178.2	61.9	0	0	0	108.4	M315 C317 L479 A486 Q492 I505 I506 I507	M315-L481 HydrophobicContact CG-CD1 4.2Å; M315-L481 HydrophobicContact SD-CD1 3.84Å; C317-L481 HydrophobicContact CB-CD1 4.47Å; C317-L481 WeakPolarHBondContact SG-CD1 3.49Å; L479-L481 HydrophobicContact CD2-CB 3.86Å; L481-A486 HydrophobicContact CD1-CB 4.09Å; L481-A486 HydrophobicContact CD2-CB 4.5Å; L481-A486 HydrophobicContact CG-CB 3.73Å; L481-Q492 HydrophobicContact CD2-CG 4.06Å; L481-I505 HydrophobicContact CB-CG2 4.2Å; L481-I506 PolarHBondContact N-O 3.17Å; L481-I507 HydrophobicContact CB-CG1 4.22Å; L481-I507 HydrophobicContact CD2-CD1 4.1Å; L481-I507 HydrophobicContact CD2-CG1 4.5Å
482	V	95.6	Very high	92.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	175.6	-168.8	-55.1	0	0	0	0	111.9	A240 V314 M315 D316 C317 F480 A486 P508 V511 T514 I515	A240-V482 HydrophobicContact CB-CB 4.36Å; A240-V482 HydrophobicContact CB-CG1 4.46Å; A240-V482 HydrophobicContact CB-CG2 3.73Å; V314-V482 HydrophobicContact CG1-CG2 3.87Å; M315-V482 PolarHBondContact O-N 3.49Å; D316-V482 HydrophobicContact CB-CG2 3.78Å; C317-V482 PolarHBondContact N-O 3.42Å; F480-V482 HydrophobicContact CB-CG1 4.23Å; V482-A486 VanDerWaalsContact O-CB 3.23Å; V482-A486 WeakPolarHBondContact O-CB 3.28Å; V482-P508 HydrophobicContact CG1-CG 4.24Å; V482-V511 HydrophobicContact CB-CG2 4.4Å; V482-T514 HydrophobicContact CB-CG2 4.24Å; V482-T514 HydrophobicContact CG1-CG2 3.92Å; V482-I515 HydrophobicContact CB-CD1 4.42Å; V482-I515 HydrophobicContact CG2-CD1 4.27Å
483	G	92.9	Very high	93.3	Very high	3 Å²	3	28 Å²	28	3%	0.031	16%	0.16	C	C	.	.	S	Bend	trans	89.8	169.3	-179.1	0	0	0	0	0	114.4	D316 C317 F485 A486	D316-G483 WeakPolarHBondContact OD1-CA 3.34Å; C317-G483 CarbonylContact O-C 3.52Å; G483-F485 VanDerWaalsContact C-N 3.32Å; G483-F485 PolarHBondContact O-N 3.4Å; G483-A486 WeakPolarHBondContact O-CB 3.22Å; G483-A486 PolarHBondContact O-N 2.9Å
484	G	91.5	Very high	93.6	Very high	46 Å²	46	28.9 Å²	28.9	47%	0.474	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-22.7	-174.2	0	0	0	0	0	114.9	C317	C317-G484 PolarHBondContact O-N 3.35Å
485	F	95.2	Very high	94	Very high	9 Å²	9	26.8 Å²	26.8	4%	0.039	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-18.1	176.7	-170.3	-152.4	0	0	0	112.5	C317 V352 F453 T456 I460 G483 E487 S488 L491	C317-F485 HydrophobicContact CB-CB 3.96Å; C317-F485 HydrophobicContact CB-CD1 4.46Å; C317-F485 WeakPolarHBondContact O-CA 3.49Å; C317-F485 VanDerWaalsContact O-CB 3.22Å; C317-F485 WeakPolarHBondContact O-CB 3.47Å; C317-F485 PolarHBondContact O-N 3.45Å; V352-F485 HydrophobicContact CG2-CZ 4.17Å; F453-F485 HydrophobicContact CD1-CE2 4.11Å; F453-F485 HydrophobicContact CD1-CZ 4.27Å; F453-F485 AromaticContact CE1-CE2 3.92Å; F453-F485 HydrophobicContact CE1-CE2 3.92Å; T456-F485 HydrophobicContact CG2-CE1 3.79Å; T456-F485 HydrophobicContact CG2-CZ 4.15Å; I460-F485 HydrophobicContact CD1-CD1 4.28Å; I460-F485 HydrophobicContact CD1-CE1 3.8Å; G483-F485 VanDerWaalsContact C-N 3.32Å; G483-F485 PolarHBondContact O-N 3.4Å; F485-E487 PolarHBondContact O-N 3.26Å; F485-E487 VanDerWaalsContact O-N 3.15Å; F485-S488 VanDerWaalsContact O-CB 3.26Å; F485-S488 WeakPolarHBondContact O-CB 3.22Å; F485-S488 PolarHBondContact O-N 2.88Å; F485-L491 HydrophobicContact CD1-CD2 3.86Å; F485-L491 HydrophobicContact CD2-CD2 4.5Å; F485-L491 HydrophobicContact CE1-CD2 4.13Å; F485-L491 HydrophobicContact CG-CD2 4.06Å
486	A	94.8	Very high	94.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17	170.8	0	0	0	0	0	113.5	C317 L481 V482 G483 S488 Q492 V511	C317-A486 HydrophobicContact CB-CB 4.43Å; L481-A486 HydrophobicContact CD1-CB 4.09Å; L481-A486 HydrophobicContact CD2-CB 4.5Å; L481-A486 HydrophobicContact CG-CB 3.73Å; V482-A486 VanDerWaalsContact O-CB 3.23Å; V482-A486 WeakPolarHBondContact O-CB 3.28Å; G483-A486 WeakPolarHBondContact O-CB 3.22Å; G483-A486 PolarHBondContact O-N 2.9Å; A486-S488 PolarHBondContact O-N 2.85Å; A486-Q492 WeakPolarHBondContact O-CG 3.42Å; A486-Q492 PolarHBondContact O-NE2 3.43Å; A486-V511 HydrophobicContact CB-CG2 3.85Å
487	E	92.1	Very high	94.4	Very high	110 Å²	110	28.2 Å²	28.2	51%	0.514	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.3	169.6	-63.3	-175.9	-177.8	0	0	113.2	F485 A489 V511	F485-E487 PolarHBondContact O-N 3.26Å; F485-E487 VanDerWaalsContact O-N 3.15Å; E487-A489 PolarHBondContact O-N 2.89Å; E487-V511 HydrophobicContact CG-CG1 3.27Å
488	S	94.9	Very high	94.5	Very high	15 Å²	15	26.1 Å²	26.1	11%	0.105	15%	0.15	C	C	.	.			trans	-72.8	112.2	-178.8	-176.8	0	0	0	0	111.8	F453 F485 A486 L490 L491 Q492	F453-S488 WeakPolarHBondContact CE1-OG 3.48Å; F485-S488 VanDerWaalsContact O-CB 3.26Å; F485-S488 WeakPolarHBondContact O-CB 3.22Å; F485-S488 PolarHBondContact O-N 2.88Å; A486-S488 PolarHBondContact O-N 2.85Å; S488-L490 PolarHBondContact O-N 3.49Å; S488-L491 WeakPolarHBondContact O-CB 3.06Å; S488-L491 PolarHBondContact O-N 3.34Å; S488-Q492 WeakPolarHBondContact O-CG 3.4Å; S488-Q492 PolarHBondContact O-N 2.87Å
489	A	94.4	Very high	94.6	Very high	32 Å²	32	26.2 Å²	26.2	26%	0.264	15%	0.15	S	C	.	.	H	α-helix	trans	-57.2	-29.6	174.3	0	0	0	0	0	113.4	A395 E487 Q493	A395-A489 HydrophobicContact CB-CB 3.97Å; E487-A489 PolarHBondContact O-N 2.89Å; A489-Q493 WeakPolarHBondContact O-CB 3.31Å; A489-Q493 PolarHBondContact O-N 3.27Å
490	L	95.9	Very high	94.3	Very high	15 Å²	15	34.2 Å²	34.2	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-66.6	-43.2	173.9	-69.6	169.4	0	0	0	111.6	A394 P396 N450 F453 I457 S488 A494	A394-L490 HydrophobicContact CB-CD1 3.96Å; P396-L490 HydrophobicContact CB-CD2 4.42Å; P396-L490 HydrophobicContact CG-CD2 3.97Å; N450-L490 WeakPolarHBondContact OD1-CD2 3.48Å; F453-L490 HydrophobicContact CB-CD1 4.17Å; F453-L490 HydrophobicContact CD1-CB 4.28Å; F453-L490 HydrophobicContact CD1-CD1 3.83Å; F453-L490 HydrophobicContact CD2-CD1 3.83Å; F453-L490 HydrophobicContact CE1-CD1 4.08Å; F453-L490 HydrophobicContact CE2-CD1 4.07Å; F453-L490 HydrophobicContact CG-CD1 3.69Å; F453-L490 HydrophobicContact CZ-CD1 4.18Å; I457-L490 HydrophobicContact CD1-CB 3.88Å; S488-L490 PolarHBondContact O-N 3.49Å; L490-A494 WeakPolarHBondContact O-CB 3.37Å; L490-A494 PolarHBondContact O-N 3.45Å; L490-A494 VanDerWaalsContact O-N 3.1Å
491	L	96.7	Very high	93.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.6	-44.3	176	178.6	60.9	0	0	0	111.4	C317 I457 I460 F485 S488 Q493 A494 V495	C317-L491 HydrophobicContact CB-CD2 3.9Å; I457-L491 HydrophobicContact CG1-CD1 4.34Å; I460-L491 HydrophobicContact CD1-CD1 3.88Å; I460-L491 HydrophobicContact CG2-CD1 4.08Å; F485-L491 HydrophobicContact CD1-CD2 3.86Å; F485-L491 HydrophobicContact CD2-CD2 4.5Å; F485-L491 HydrophobicContact CE1-CD2 4.13Å; F485-L491 HydrophobicContact CG-CD2 4.06Å; S488-L491 WeakPolarHBondContact O-CB 3.06Å; S488-L491 PolarHBondContact O-N 3.34Å; L491-Q493 PolarHBondContact O-N 3.31Å; L491-A494 PolarHBondContact O-N 2.93Å; L491-V495 HydrophobicContact CD1-CG2 4.08Å; L491-V495 HydrophobicContact CG-CG2 4.47Å; L491-V495 WeakPolarHBondContact O-CG2 3.36Å; L491-V495 PolarHBondContact O-N 3.37Å
492	Q	95.8	Very high	93.4	Very high	43 Å²	43	44 Å²	44	20%	0.201	25%	0.247	C	C	.	.	H	α-helix	trans	-55.9	-49.4	177.2	-68.5	175.9	11.7	0	0	111.5	L255 L481 A486 S488 A494 V495 Q496 I507	L255-Q492 HydrophobicContact CD1-CB 4.1Å; L481-Q492 HydrophobicContact CD2-CG 4.06Å; A486-Q492 WeakPolarHBondContact O-CG 3.42Å; A486-Q492 PolarHBondContact O-NE2 3.43Å; S488-Q492 WeakPolarHBondContact O-CG 3.4Å; S488-Q492 PolarHBondContact O-N 2.87Å; Q492-A494 PolarHBondContact O-N 2.64Å; Q492-V495 PolarHBondContact O-N 3.35Å; Q492-Q496 WeakPolarHBondContact O-CB 3.49Å; Q492-Q496 PolarHBondContact O-N 3.08Å; Q492-I507 VanDerWaalsContact CD-CD1 3.5Å; Q492-I507 HydrophobicContact CG-CD1 3.63Å
493	Q	95.2	Very high	93.2	Very high	67 Å²	67	44.6 Å²	44.6	31%	0.313	25%	0.25	S	S	.	.	H	α-helix	trans	-63.5	-40.4	177.8	-169.6	-171.8	57.4	0	0	112	P396 A489 L491 Q496 N497	P396-Q493 VanDerWaalsContact CB-OE1 3.23Å; P396-Q493 HydrophobicContact CG-CB 3.92Å; P396-Q493 VanDerWaalsContact CG-CD 3.48Å; P396-Q493 HydrophobicContact CG-CG 4.29Å; P396-Q493 VanDerWaalsContact CG-OE1 3.23Å; A489-Q493 WeakPolarHBondContact O-CB 3.31Å; A489-Q493 PolarHBondContact O-N 3.27Å; L491-Q493 PolarHBondContact O-N 3.31Å; Q493-Q496 PolarHBondContact O-N 2.97Å; Q493-N497 WeakPolarHBondContact O-CB 3.44Å; Q493-N497 PolarHBondContact O-N 2.89Å; Q493-N497 PolarHBondContact O-ND2 3.43Å
494	A	96.4	Very high	93.1	Very high	21 Å²	21	48.4 Å²	48.4	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-43.8	178.2	0	0	0	0	0	112.6	I457 I461 L490 L491 Q492 N497 M498	I457-A494 HydrophobicContact CG2-CB 3.35Å; I461-A494 HydrophobicContact CD1-CB 4.04Å; I461-A494 WeakPolarHBondContact CD1-O 3.49Å; I461-A494 HydrophobicContact CG1-CB 4.14Å; L490-A494 WeakPolarHBondContact O-CB 3.37Å; L490-A494 PolarHBondContact O-N 3.45Å; L490-A494 VanDerWaalsContact O-N 3.1Å; L491-A494 PolarHBondContact O-N 2.93Å; Q492-A494 PolarHBondContact O-N 2.64Å; A494-N497 PolarHBondContact O-N 3.12Å; A494-M498 PolarHBondContact O-N 3.02Å
495	V	96.1	Very high	93.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-40.6	176.6	175.1	0	0	0	0	110.8	M315 I461 L464 L479 L491 Q492 M498 L499 I505	M315-V495 HydrophobicContact CE-CG2 4.18Å; M315-V495 HydrophobicContact SD-CG2 4.43Å; I461-V495 HydrophobicContact CD1-CG2 3.96Å; L464-V495 HydrophobicContact CD2-CG1 4.04Å; L464-V495 HydrophobicContact CD2-CG2 4.44Å; L479-V495 HydrophobicContact CD2-CG1 4.31Å; L491-V495 HydrophobicContact CD1-CG2 4.08Å; L491-V495 HydrophobicContact CG-CG2 4.47Å; L491-V495 WeakPolarHBondContact O-CG2 3.36Å; L491-V495 PolarHBondContact O-N 3.37Å; Q492-V495 PolarHBondContact O-N 3.35Å; V495-M498 PolarHBondContact O-N 3.33Å; V495-L499 HydrophobicContact CG1-CD1 4.18Å; V495-L499 PolarHBondContact O-N 3.25Å; V495-I505 HydrophobicContact CG1-CD1 4.06Å
496	Q	94.8	Very high	93	Very high	67 Å²	67	46.1 Å²	46.1	31%	0.313	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-46.1	174.1	-171.8	175.6	22.6	0	0	112.3	L255 Q492 Q493 M498 L499 Q500 I505	L255-Q496 PolarHBondContact O-NE2 2.96Å; Q492-Q496 WeakPolarHBondContact O-CB 3.49Å; Q492-Q496 PolarHBondContact O-N 3.08Å; Q493-Q496 PolarHBondContact O-N 2.97Å; Q496-M498 VanDerWaalsContact C-N 3.35Å; Q496-M498 PolarHBondContact O-N 3.07Å; Q496-L499 PolarHBondContact O-N 3.03Å; Q496-Q500 PolarHBondContact O-N 3.02Å; Q496-I505 HydrophobicContact CB-CD1 3.97Å; Q496-I505 HydrophobicContact CG-CD1 4.41Å
497	N	94.2	Very high	92.9	Very high	98 Å²	98	46.6 Å²	46.6	52%	0.524	24%	0.243	S	C	.	.	H	α-helix	trans	-66.7	-31.6	179	-72.6	-13.2	0	0	0	113.3	Q493 A494 Q500	Q493-N497 WeakPolarHBondContact O-CB 3.44Å; Q493-N497 PolarHBondContact O-N 2.89Å; Q493-N497 PolarHBondContact O-ND2 3.43Å; A494-N497 PolarHBondContact O-N 3.12Å; N497-Q500 WeakPolarHBondContact O-CG 3.24Å
498	M	94.3	Very high	92.8	Very high	22 Å²	22	41.5 Å²	41.5	11%	0.108	22%	0.22	C	C	.	.	H	α-helix	trans	-76	-41.4	175	-177.4	-73.3	-64.2	0	0	111.8	I461 L464 A494 V495 Q496 R502	I461-M498 HydrophobicContact CD1-CB 4.11Å; I461-M498 HydrophobicContact CG2-CB 4.06Å; I461-M498 HydrophobicContact CG2-CG 3.9Å; L464-M498 HydrophobicContact CB-CE 4.03Å; L464-M498 HydrophobicContact CD2-CE 3.24Å; L464-M498 HydrophobicContact CG-CE 3.38Å; A494-M498 PolarHBondContact O-N 3.02Å; V495-M498 PolarHBondContact O-N 3.33Å; Q496-M498 VanDerWaalsContact C-N 3.35Å; Q496-M498 PolarHBondContact O-N 3.07Å; M498-R502 PolarHBondContact O-NH2 2.96Å; M498-R502 PolarHBondContact SD-NH2 3.47Å
499	L	91.4	Very high	92.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-71.7	-31.6	-179.6	-76.8	177.2	0	0	0	113	F468 L479 V495 Q496 G501 R502 I505	F468-L499 HydrophobicContact CD1-CD2 4.08Å; F468-L499 HydrophobicContact CE1-CD2 3.51Å; F468-L499 HydrophobicContact CE2-CD2 4.41Å; F468-L499 HydrophobicContact CZ-CD2 3.69Å; L479-L499 HydrophobicContact CB-CD1 4.27Å; L479-L499 HydrophobicContact CD1-CD1 4.04Å; V495-L499 HydrophobicContact CG1-CD1 4.18Å; V495-L499 PolarHBondContact O-N 3.25Å; Q496-L499 PolarHBondContact O-N 3.03Å; L499-G501 PolarHBondContact O-N 3.49Å; L499-G501 VanDerWaalsContact O-N 3.11Å; L499-R502 WeakPolarHBondContact O-CB 3.44Å; L499-R502 VanDerWaalsContact O-CG 3.23Å; L499-R502 WeakPolarHBondContact O-CG 3.46Å; L499-R502 PolarHBondContact O-N 2.92Å; L499-R502 PolarHBondContact O-NE 3.14Å; L499-I505 HydrophobicContact CD1-CD1 3.77Å; L499-I505 HydrophobicContact CD1-CG1 3.56Å
500	Q	87.9	Confident	91.7	Very high	168 Å²	168	46.7 Å²	46.7	79%	0.785	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	32.5	178.2	-56.1	-173.1	-3.2	0	0	113.7	Q496 N497	Q496-Q500 PolarHBondContact O-N 3.02Å; N497-Q500 WeakPolarHBondContact O-CG 3.24Å
501	G	84.1	Confident	91.3	Very high	71 Å²	71	46.2 Å²	46.2	73%	0.732	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	3	-177.2	0	0	0	0	0	115.8	L499 S503	L499-G501 PolarHBondContact O-N 3.49Å; L499-G501 VanDerWaalsContact O-N 3.11Å; G501-S503 PolarHBondContact O-N 3.48Å
502	R	87.1	Confident	90.7	Very high	137 Å²	137	46.8 Å²	46.8	52%	0.517	24%	0.241	S	C	.	.	S	Bend	trans	-58.5	-25.7	174.7	-73.5	-176.8	-71.1	158.9	-6.1	114.2	M498 L499	M498-R502 PolarHBondContact O-NH2 2.96Å; M498-R502 PolarHBondContact SD-NH2 3.47Å; L499-R502 WeakPolarHBondContact O-CB 3.44Å; L499-R502 VanDerWaalsContact O-CG 3.23Å; L499-R502 WeakPolarHBondContact O-CG 3.46Å; L499-R502 PolarHBondContact O-N 2.92Å; L499-R502 PolarHBondContact O-NE 3.14Å
503	S	90.8	Very high	90.4	Very high	11 Å²	11	44.7 Å²	44.7	8%	0.077	23%	0.232	C	C	.	.	S	Bend	trans	-145.7	148.3	177.8	-52.8	0	0	0	0	109.9	I476 G501	I476-S503 VanDerWaalsContact O-CB 3.26Å; I476-S503 WeakPolarHBondContact O-CB 3.39Å; I476-S503 PolarHBondContact O-OG 3.37Å; G501-S503 PolarHBondContact O-N 3.48Å
504	R	90.8	Very high	90.3	Very high	84 Å²	84	41.5 Å²	41.5	32%	0.317	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	125	172	-74.1	172.4	66.2	-162.4	-1.7	109.8	D254 E305 K477 F478 L479 I506	D254-R504 IonicContact OD2-CZ 2.63Å; D254-R504 VanDerWaalsContact OD2-CZ 3.24Å; D254-R504 IonicContact OD2-NE 2.85Å; D254-R504 PolarHBondContact OD2-NE 2.89Å; D254-R504 IonicContact OD2-NH2 3.35Å; D254-R504 PolarHBondContact OD2-NH2 3.44Å; E305-R504 IonicContact OE1-NH1 2.82Å; E305-R504 IonicContact OE2-CZ 3.16Å; E305-R504 IonicContact OE2-NH1 2.71Å; E305-R504 PolarHBondContact OE2-NH1 3Å; K477-R504 PolarHBondContact O-N 3.31Å; F478-R504 WeakPolarHBondContact CA-O 3.46Å; F478-R504 HydrophobicContact CD1-CB 3.72Å; F478-R504 HydrophobicContact CE1-CB 3.93Å; L479-R504 PolarHBondContact N-O 3.04Å; R504-I506 HydrophobicContact CB-CD1 4.44Å
505	I	93.6	Very high	90.3	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.036	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.8	-179.5	-56.1	163	0	0	0	108.9	L255 L479 L481 V495 Q496 L499 I507	L255-I505 HydrophobicContact CB-CB 4.28Å; L255-I505 HydrophobicContact CD1-CB 4.21Å; L255-I505 HydrophobicContact CD1-CD1 4.34Å; L255-I505 HydrophobicContact CD1-CG2 3.86Å; L255-I505 HydrophobicContact CG-CB 4.42Å; L255-I505 HydrophobicContact CG-CG2 4.34Å; L255-I505 PolarHBondContact N-O 3.48Å; L255-I505 VanDerWaalsContact N-O 3.1Å; L479-I505 HydrophobicContact CD2-CG2 4.23Å; L479-I505 WeakPolarHBondContact O-CA 3.32Å; L481-I505 HydrophobicContact CB-CG2 4.2Å; V495-I505 HydrophobicContact CG1-CD1 4.06Å; Q496-I505 HydrophobicContact CB-CD1 3.97Å; Q496-I505 HydrophobicContact CG-CD1 4.41Å; L499-I505 HydrophobicContact CD1-CD1 3.77Å; L499-I505 HydrophobicContact CD1-CG1 3.56Å; I505-I507 HydrophobicContact CG2-CG1 4.47Å
506	I	92.2	Very high	90.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.1	-175.5	-54.2	-55.4	0	0	0	109.9	M252 V253 D254 L302 F478 L479 F480 L481 R504	M252-I506 HydrophobicContact CB-CG2 3.92Å; M252-I506 HydrophobicContact CE-CG2 4.32Å; M252-I506 HydrophobicContact CG-CG2 4.27Å; M252-I506 HydrophobicContact SD-CG2 3.58Å; M252-I506 VanDerWaalsContact SD-CG2 3.58Å; V253-I506 WeakPolarHBondContact O-CA 3.32Å; D254-I506 HydrophobicContact CB-CD1 3.94Å; L302-I506 HydrophobicContact CD1-CD1 4.31Å; L302-I506 HydrophobicContact CD2-CD1 4.37Å; L302-I506 HydrophobicContact CD2-CG1 3.88Å; L302-I506 HydrophobicContact CD2-CG2 4.13Å; F478-I506 HydrophobicContact CD1-CD1 4.28Å; F478-I506 HydrophobicContact CD1-CG1 3.82Å; F478-I506 HydrophobicContact CE1-CD1 4.49Å; F478-I506 HydrophobicContact CE1-CG1 4.43Å; L479-I506 PolarHBondContact O-N 3.23Å; F480-I506 WeakPolarHBondContact CA-O 3.39Å; F480-I506 HydrophobicContact CD1-CB 3.79Å; F480-I506 HydrophobicContact CD1-CG2 3.81Å; F480-I506 HydrophobicContact CE1-CB 3.96Å; F480-I506 HydrophobicContact CE1-CG1 4.35Å; F480-I506 HydrophobicContact CE1-CG2 3.79Å; L481-I506 PolarHBondContact N-O 3.17Å; R504-I506 HydrophobicContact CB-CD1 4.44Å
507	I	93.1	Very high	90.2	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.046	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	115.7	178.4	-49.1	-176.6	0	0	0	109.5	M252 V253 L255 L481 Q492 I505 V511	M252-I507 CarbonylContact C-O 3.59Å; M252-I507 VanDerWaalsContact CA-O 3.27Å; M252-I507 WeakPolarHBondContact CA-O 3.18Å; V253-I507 HydrophobicContact CB-CB 4.43Å; V253-I507 PolarHBondContact N-O 3.17Å; V253-I507 PolarHBondContact O-N 3.1Å; L255-I507 HydrophobicContact CD1-CD1 4.02Å; L255-I507 HydrophobicContact CD2-CD1 4.24Å; L255-I507 HydrophobicContact CG-CD1 4.14Å; L481-I507 HydrophobicContact CB-CG1 4.22Å; L481-I507 HydrophobicContact CD2-CD1 4.1Å; L481-I507 HydrophobicContact CD2-CG1 4.5Å; Q492-I507 VanDerWaalsContact CD-CD1 3.5Å; Q492-I507 HydrophobicContact CG-CD1 3.63Å; I505-I507 HydrophobicContact CG2-CG1 4.47Å; I507-V511 HydrophobicContact CG2-CB 4.29Å; I507-V511 HydrophobicContact CG2-CG2 4.1Å
508	P	89.9	Confident	90.2	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.019	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	143.8	173.3	-24.1	34.8	0	0	0	112.5	L247 V482 D510 V511 T514	L247-P508 HydrophobicContact CD1-CB 3.74Å; L247-P508 HydrophobicContact CD1-CG 3.71Å; V482-P508 HydrophobicContact CG1-CG 4.24Å; P508-D510 PolarHBondContact O-N 2.76Å; P508-V511 WeakPolarHBondContact O-CB 3.46Å; P508-V511 PolarHBondContact O-N 3.34Å; P508-T514 HydrophobicContact CG-CG2 4.21Å
509	H	83.7	Confident	90.3	Very high	116 Å²	116	31.9 Å²	31.9	54%	0.537	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-37.6	179.8	-78.4	-23.5	0	0	0	114.1	H250 Q251 V511	H250-H509 PolarHBondContact O-CD2 2.79Å; H250-H509 PolarHBondContact O-NE2 2.86Å; Q251-H509 PolarHBondContact O-N 3.35Å; H509-V511 PolarHBondContact O-N 2.89Å
510	D	82.7	Confident	90.5	Very high	40 Å²	40	31.8 Å²	31.8	21%	0.214	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	53.2	172.2	-68.7	-49.2	0	0	0	110.4	Q95 F293 P508 G512 L513 T514 K517	Q95-D510 PolarHBondContact NE2-OD1 2.86Å; F293-D510 WeakPolarHBondContact CE1-OD2 3.13Å; F293-D510 WeakPolarHBondContact CZ-OD2 3.35Å; P508-D510 PolarHBondContact O-N 2.76Å; D510-G512 PolarHBondContact O-N 3.24Å; D510-G512 VanDerWaalsContact O-N 3.12Å; D510-L513 HydrophobicContact CB-CB 4.17Å; D510-L513 HydrophobicContact CB-CD1 4.47Å; D510-L513 PolarHBondContact O-N 3.14Å; D510-T514 PolarHBondContact O-N 2.84Å; D510-T514 PolarHBondContact O-OG1 3.16Å; D510-K517 IonicContact OD2-NZ 3.74Å; D510-K517 PolarHBondContact OD2-NZ 2.78Å
511	V	86.7	Confident	90.8	Very high	6 Å²	6	24.9 Å²	24.9	4%	0.036	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-55.2	-36.3	-169.2	74	0	0	0	0	113.9	V482 A486 E487 I507 P508 H509 L513 T514	V482-V511 HydrophobicContact CB-CG2 4.4Å; A486-V511 HydrophobicContact CB-CG2 3.85Å; E487-V511 HydrophobicContact CG-CG1 3.27Å; I507-V511 HydrophobicContact CG2-CB 4.29Å; I507-V511 HydrophobicContact CG2-CG2 4.1Å; P508-V511 WeakPolarHBondContact O-CB 3.46Å; P508-V511 PolarHBondContact O-N 3.34Å; H509-V511 PolarHBondContact O-N 2.89Å; V511-L513 PolarHBondContact O-N 2.74Å; V511-T514 PolarHBondContact O-N 2.87Å; V511-T514 PolarHBondContact O-OG1 2.97Å
512	G	84.3	Confident	91.2	Very high	11 Å²	11	21.8 Å²	21.8	11%	0.113	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-68.5	-12.7	175.2	0	0	0	0	0	115.6	K96 D510	K96-G512 WeakPolarHBondContact CE-O 3.19Å; K96-G512 PolarHBondContact NZ-O 2.87Å; D510-G512 PolarHBondContact O-N 3.24Å; D510-G512 VanDerWaalsContact O-N 3.12Å
513	L	90.3	Very high	91.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-107.9	-8.4	175.9	-74.8	-179.6	0	0	0	114.2	T81 Q95 F293 D510 V511 I515 L516 K517	T81-L513 HydrophobicContact CG2-CD1 4.35Å; Q95-L513 HydrophobicContact CB-CD1 4.04Å; Q95-L513 HydrophobicContact CB-CD2 4.07Å; Q95-L513 HydrophobicContact CB-CG 4.06Å; Q95-L513 HydrophobicContact CG-CD1 3.92Å; Q95-L513 HydrophobicContact CG-CG 4.42Å; F293-L513 HydrophobicContact CE2-CD1 3.99Å; F293-L513 HydrophobicContact CZ-CD1 4.19Å; D510-L513 HydrophobicContact CB-CB 4.17Å; D510-L513 HydrophobicContact CB-CD1 4.47Å; D510-L513 PolarHBondContact O-N 3.14Å; V511-L513 PolarHBondContact O-N 2.74Å; L513-I515 VanDerWaalsContact C-N 3.33Å; L513-I515 PolarHBondContact O-N 3.4Å; L513-L516 HydrophobicContact CD2-CD2 3.89Å; L513-L516 PolarHBondContact O-N 2.99Å; L513-L516 VanDerWaalsContact O-N 3.12Å; L513-K517 HydrophobicContact CB-CD 4.39Å; L513-K517 HydrophobicContact CB-CG 4.44Å; L513-K517 PolarHBondContact O-N 3.39Å
514	T	92.7	Very high	91.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-51.5	-49.6	-176.8	-61.4	0	0	0	0	112.4	A240 Y243 V482 P508 D510 V511 G518	A240-T514 HydrophobicContact CB-CG2 3.79Å; Y243-T514 HydrophobicContact CD1-CG2 3.79Å; V482-T514 HydrophobicContact CB-CG2 4.24Å; V482-T514 HydrophobicContact CG1-CG2 3.92Å; P508-T514 HydrophobicContact CG-CG2 4.21Å; D510-T514 PolarHBondContact O-N 2.84Å; D510-T514 PolarHBondContact O-OG1 3.16Å; V511-T514 PolarHBondContact O-N 2.87Å; V511-T514 PolarHBondContact O-OG1 2.97Å; T514-G518 PolarHBondContact O-N 2.7Å
515	I	95.4	Very high	91.5	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-59	-50.9	178.2	-68.2	68.6	0	0	0	110	D60 T200 E236 A240 D316 V482 L513 G518 A519	D60-I515 WeakPolarHBondContact OD2-CG2 3.43Å; T200-I515 HydrophobicContact CG2-CG2 3.84Å; E236-I515 HydrophobicContact CB-CG1 4.43Å; E236-I515 HydrophobicContact CB-CG2 4.23Å; E236-I515 HydrophobicContact CG-CG2 4.04Å; A240-I515 HydrophobicContact CB-CD1 4.21Å; A240-I515 HydrophobicContact CB-CG1 4.25Å; D316-I515 VanDerWaalsContact OD2-CG1 3.23Å; D316-I515 WeakPolarHBondContact OD2-CG1 3.43Å; V482-I515 HydrophobicContact CB-CD1 4.42Å; V482-I515 HydrophobicContact CG2-CD1 4.27Å; L513-I515 VanDerWaalsContact C-N 3.33Å; L513-I515 PolarHBondContact O-N 3.4Å; I515-G518 PolarHBondContact O-N 3.22Å; I515-A519 WeakPolarHBondContact O-CB 3.26Å; I515-A519 PolarHBondContact O-N 2.99Å
516	L	94.6	Very high	91.1	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-63.4	-45.5	-175.7	179.7	54.8	0	0	0	113	A58 D60 A69 L513 G518 A519 V520	A58-L516 HydrophobicContact CB-CD1 4.04Å; A58-L516 WeakPolarHBondContact O-CD1 3.48Å; D60-L516 HydrophobicContact CB-CB 3.75Å; D60-L516 HydrophobicContact CB-CD1 3.74Å; D60-L516 HydrophobicContact CB-CD2 4.46Å; D60-L516 HydrophobicContact CB-CG 4.17Å; A69-L516 HydrophobicContact CB-CD1 3.85Å; A69-L516 HydrophobicContact CB-CD2 3.97Å; A69-L516 HydrophobicContact CB-CG 3.64Å; L513-L516 HydrophobicContact CD2-CD2 3.89Å; L513-L516 PolarHBondContact O-N 2.99Å; L513-L516 VanDerWaalsContact O-N 3.12Å; L516-G518 VanDerWaalsContact C-N 3.33Å; L516-A519 PolarHBondContact O-N 3.27Å; L516-V520 PolarHBondContact O-N 3.41Å
517	K	93.8	Very high	90.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.3	-40.8	175.7	-66.5	176.5	-178.8	177	0	110.9	I79 Y243 F293 D510 L513 A519 V520 L521	I79-K517 HydrophobicContact CD1-CB 4.23Å; I79-K517 HydrophobicContact CG2-CG 4.34Å; Y243-K517 HydrophobicContact CD2-CB 3.53Å; Y243-K517 HydrophobicContact CD2-CD 4.15Å; Y243-K517 HydrophobicContact CE1-CD 3.95Å; Y243-K517 HydrophobicContact CE2-CB 3.68Å; Y243-K517 HydrophobicContact CE2-CD 3.42Å; Y243-K517 VanDerWaalsContact CE2-CD 3.42Å; Y243-K517 HydrophobicContact CE2-CG 4.19Å; Y243-K517 HydrophobicContact CG-CB 3.99Å; Y243-K517 WeakPolarHBondContact OH-CD 3.42Å; Y243-K517 PolarHBondContact OH-NZ 2.88Å; F293-K517 VanDerWaalsContact CD2-CE 3.45Å; D510-K517 IonicContact OD2-NZ 3.74Å; D510-K517 PolarHBondContact OD2-NZ 2.78Å; L513-K517 HydrophobicContact CB-CD 4.39Å; L513-K517 HydrophobicContact CB-CG 4.44Å; L513-K517 PolarHBondContact O-N 3.39Å; K517-A519 VanDerWaalsContact C-N 3.33Å; K517-A519 PolarHBondContact O-N 3.08Å; K517-V520 PolarHBondContact O-N 2.75Å; K517-L521 PolarHBondContact O-N 3.46Å
518	G	94.5	Very high	89.9	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.5	-36.3	175.3	0	0	0	0	0	114.3	A239 T514 I515 L516 L521 F522	A239-G518 WeakPolarHBondContact O-CA 3.39Å; T514-G518 PolarHBondContact O-N 2.7Å; I515-G518 PolarHBondContact O-N 3.22Å; L516-G518 VanDerWaalsContact C-N 3.33Å; G518-L521 PolarHBondContact O-N 3.26Å; G518-F522 WeakPolarHBondContact O-CB 3.25Å; G518-F522 PolarHBondContact O-N 3.42Å
519	A	96.6	Very high	89.4	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-69.4	-32.7	177.9	0	0	0	0	0	112.4	A58 V198 T200 A239 I515 L516 K517 G523	A58-A519 HydrophobicContact CB-CB 3.68Å; V198-A519 HydrophobicContact CG1-CB 4.11Å; T200-A519 HydrophobicContact CG2-CB 3.6Å; A239-A519 HydrophobicContact CB-CB 4.18Å; I515-A519 WeakPolarHBondContact O-CB 3.26Å; I515-A519 PolarHBondContact O-N 2.99Å; L516-A519 PolarHBondContact O-N 3.27Å; K517-A519 VanDerWaalsContact C-N 3.33Å; K517-A519 PolarHBondContact O-N 3.08Å; A519-G523 PolarHBondContact O-N 3.2Å
520	V	96.6	Very high	89.1	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64	-47.7	169.6	178.9	0	0	0	0	110.3	V56 A58 A69 A71 I79 L516 K517 F522 G523 L524	V56-V520 HydrophobicContact CG1-CG1 4.42Å; A58-V520 HydrophobicContact CB-CB 4.49Å; A58-V520 HydrophobicContact CB-CG2 3.61Å; A69-V520 HydrophobicContact CB-CG2 3.83Å; A71-V520 HydrophobicContact CB-CG1 3.56Å; I79-V520 HydrophobicContact CD1-CB 4.32Å; I79-V520 HydrophobicContact CD1-CG1 4.42Å; I79-V520 HydrophobicContact CG1-CG1 4.25Å; I79-V520 HydrophobicContact CG2-CB 4.43Å; I79-V520 HydrophobicContact CG2-CG2 4.25Å; L516-V520 PolarHBondContact O-N 3.41Å; K517-V520 PolarHBondContact O-N 2.75Å; V520-F522 VanDerWaalsContact C-N 3.33Å; V520-F522 PolarHBondContact O-N 3.34Å; V520-G523 PolarHBondContact O-N 2.97Å; V520-G523 VanDerWaalsContact O-N 3.15Å; V520-L524 HydrophobicContact CG1-CD1 4.2Å; V520-L524 WeakPolarHBondContact O-CG 3.22Å; V520-L524 PolarHBondContact O-N 3.3Å
521	L	93.6	Very high	89.1	Confident	22 Å²	22	18.3 Å²	18.3	12%	0.115	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-40.9	177.2	-65.6	174	0	0	0	112.4	I79 I242 Y243 K246 V295 K517 G518 L524 D525	I79-L521 HydrophobicContact CD1-CD1 4.47Å; I79-L521 HydrophobicContact CD1-CD2 3.99Å; I79-L521 HydrophobicContact CD1-CG 3.9Å; I242-L521 HydrophobicContact CG2-CB 3.62Å; I242-L521 HydrophobicContact CG2-CD1 4.12Å; Y243-L521 HydrophobicContact CD2-CD1 4.22Å; K246-L521 HydrophobicContact CG-CD1 4.15Å; V295-L521 HydrophobicContact CG1-CD1 4.33Å; V295-L521 HydrophobicContact CG1-CD2 4.32Å; K517-L521 PolarHBondContact O-N 3.46Å; G518-L521 PolarHBondContact O-N 3.26Å; L521-L524 HydrophobicContact CD2-CD1 4.41Å; L521-L524 PolarHBondContact O-N 3.02Å; L521-D525 PolarHBondContact O-N 3.17Å
522	F	92.7	Very high	88.9	Confident	6 Å²	6	19 Å²	19	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-67.8	-33.8	175.3	-174.4	-115.4	0	0	0	113	I232 A234 I242 G518 V520 D525 P526 I529	I232-F522 HydrophobicContact CG2-CD1 3.97Å; I232-F522 HydrophobicContact CG2-CE1 3.54Å; A234-F522 HydrophobicContact CB-CD1 3.66Å; A234-F522 HydrophobicContact CB-CE1 4.03Å; I242-F522 HydrophobicContact CD1-CB 3.75Å; I242-F522 HydrophobicContact CD1-CD2 3.51Å; I242-F522 HydrophobicContact CD1-CE2 4.48Å; I242-F522 HydrophobicContact CD1-CG 3.98Å; G518-F522 WeakPolarHBondContact O-CB 3.25Å; G518-F522 PolarHBondContact O-N 3.42Å; V520-F522 VanDerWaalsContact C-N 3.33Å; V520-F522 PolarHBondContact O-N 3.34Å; F522-D525 CarbonylContact O-C 3.31Å; F522-P526 HydrophobicContact CE2-CB 4.29Å; F522-P526 WeakPolarHBondContact CE2-O 3.31Å; F522-P526 HydrophobicContact CZ-CB 4.39Å; F522-P526 VanDerWaalsContact O-CA 3.31Å; F522-P526 WeakPolarHBondContact O-CA 3.46Å; F522-P526 WeakPolarHBondContact O-CD 3.3Å; F522-P526 WeakPolarHBondContact O-CG 3.43Å; F522-I529 HydrophobicContact CD2-CD1 4.42Å; F522-I529 HydrophobicContact CE2-CD1 4.02Å; F522-I529 HydrophobicContact CE2-CG1 4.29Å
523	G	94.1	Very high	88.9	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-71	-30.6	173.8	0	0	0	0	0	113.4	R196 A519 V520	R196-G523 WeakPolarHBondContact CD-O 2.95Å; R196-G523 PolarHBondContact NH1-O 2.95Å; A519-G523 PolarHBondContact O-N 3.2Å; V520-G523 PolarHBondContact O-N 2.97Å; V520-G523 VanDerWaalsContact O-N 3.15Å
524	L	92.3	Very high	88.8	Confident	39 Å²	39	21.3 Å²	21.3	20%	0.204	11%	0.112	C	C	.	.	H	α-helix	trans	-68.8	-49.7	172.6	-71.2	165.8	0	0	0	110.8	V56 A71 T73 P76 V520 L521	V56-L524 HydrophobicContact CB-CD2 4.29Å; V56-L524 HydrophobicContact CB-CG 4.32Å; V56-L524 HydrophobicContact CG2-CD2 3.7Å; V56-L524 HydrophobicContact CG2-CG 3.97Å; A71-L524 HydrophobicContact CB-CD1 4.12Å; T73-L524 HydrophobicContact CG2-CD2 4Å; P76-L524 HydrophobicContact CB-CD1 3.84Å; P76-L524 HydrophobicContact CB-CD2 4.34Å; V520-L524 HydrophobicContact CG1-CD1 4.2Å; V520-L524 WeakPolarHBondContact O-CG 3.22Å; V520-L524 PolarHBondContact O-N 3.3Å; L521-L524 HydrophobicContact CD2-CD1 4.41Å; L521-L524 PolarHBondContact O-N 3.02Å
525	D	88	Confident	88.4	Confident	68 Å²	68	24.3 Å²	24.3	36%	0.364	13%	0.132	S	C	.	.			trans	-131.9	95.6	175.5	-177.9	11	0	0	0	112	L521 F522 S527 V528	L521-D525 PolarHBondContact O-N 3.17Å; F522-D525 CarbonylContact O-C 3.31Å; D525-S527 PolarHBondContact O-N 3.46Å; D525-S527 WeakPolarHBondContact OD1-CA 3.28Å; D525-S527 VanDerWaalsContact OD1-CB 3.26Å; D525-S527 WeakPolarHBondContact OD1-CB 3.23Å; D525-S527 PolarHBondContact OD1-N 3.38Å; D525-S527 PolarHBondContact OD1-OG 3.17Å; D525-S527 PolarHBondContact OD2-OG 3.35Å; D525-V528 HydrophobicContact CB-CG2 4.09Å; D525-V528 WeakPolarHBondContact O-CG2 3.45Å; D525-V528 WeakPolarHBondContact OD2-CG2 3.44Å
526	P	85	Confident	88.1	Confident	40 Å²	40	25.1 Å²	25.1	26%	0.26	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-70.3	-13.1	174.3	-19.9	32.9	0	0	0	113.8	I232 F522 V528	I232-P526 HydrophobicContact CD1-CB 4.39Å; I232-P526 HydrophobicContact CD1-CG 3.6Å; F522-P526 HydrophobicContact CE2-CB 4.29Å; F522-P526 WeakPolarHBondContact CE2-O 3.31Å; F522-P526 HydrophobicContact CZ-CB 4.39Å; F522-P526 VanDerWaalsContact O-CA 3.31Å; F522-P526 WeakPolarHBondContact O-CA 3.46Å; F522-P526 WeakPolarHBondContact O-CD 3.3Å; F522-P526 WeakPolarHBondContact O-CG 3.43Å; P526-V528 VanDerWaalsContact C-N 3.28Å; P526-V528 PolarHBondContact O-N 3.29Å
527	S	81.8	Confident	88.1	Confident	52 Å²	52	25 Å²	25	36%	0.364	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-79.4	-7.6	-173.1	79.2	0	0	0	0	114.5	D525 I529	D525-S527 PolarHBondContact O-N 3.46Å; D525-S527 WeakPolarHBondContact OD1-CA 3.28Å; D525-S527 VanDerWaalsContact OD1-CB 3.26Å; D525-S527 WeakPolarHBondContact OD1-CB 3.23Å; D525-S527 PolarHBondContact OD1-N 3.38Å; D525-S527 PolarHBondContact OD1-OG 3.17Å; D525-S527 PolarHBondContact OD2-OG 3.35Å; S527-I529 PolarHBondContact O-N 2.88Å; S527-I529 VanDerWaalsContact O-N 3.09Å
528	V	79.4	Confident	88	Confident	22 Å²	22	25 Å²	25	13%	0.133	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-57.4	-23.5	179.2	177.7	0	0	0	0	113.5	I242 D525 P526	I242-V528 HydrophobicContact CD1-CB 4.47Å; I242-V528 HydrophobicContact CD1-CG1 4.3Å; I242-V528 HydrophobicContact CG1-CG1 3.97Å; D525-V528 HydrophobicContact CB-CG2 4.09Å; D525-V528 WeakPolarHBondContact O-CG2 3.45Å; D525-V528 WeakPolarHBondContact OD2-CG2 3.44Å; P526-V528 VanDerWaalsContact C-N 3.28Å; P526-V528 PolarHBondContact O-N 3.29Å
529	I	78.1	Confident	88	Confident	5 Å²	5	25 Å²	25	3%	0.026	14%	0.135	C	C	.	.			trans	-109.5	89.8	179.2	-52.5	-176.8	0	0	0	108.6	E238 I242 F522 S527 R532	E238-I529 HydrophobicContact CB-CD1 3.64Å; E238-I529 VanDerWaalsContact CD-CD1 3.44Å; E238-I529 HydrophobicContact CG-CD1 3.78Å; E238-I529 WeakPolarHBondContact OE1-CD1 3.21Å; I242-I529 HydrophobicContact CD1-CD1 4.15Å; I242-I529 HydrophobicContact CD1-CG1 4.37Å; F522-I529 HydrophobicContact CD2-CD1 4.42Å; F522-I529 HydrophobicContact CE2-CD1 4.02Å; F522-I529 HydrophobicContact CE2-CG1 4.29Å; S527-I529 PolarHBondContact O-N 2.88Å; S527-I529 VanDerWaalsContact O-N 3.09Å; I529-R532 HydrophobicContact CG2-CG 4.01Å
530	K	78.4	Confident	87.9	Confident	87 Å²	87	25 Å²	25	38%	0.378	14%	0.135	S	C	.	.			trans	-79.6	-26.2	-176.4	-77.1	-169.4	176.7	170.1	0	114.6	E333 H335 A580 L581	E333-K530 IonicContact OE2-NZ 3.17Å; E333-K530 PolarHBondContact OE2-NZ 3.22Å; H335-K530 HydrophobicContact CB-CB 4.35Å; H335-K530 HydrophobicContact CB-CD 4.2Å; H335-K530 HydrophobicContact CB-CG 4.31Å; H335-K530 VanDerWaalsContact CD2-CE 3.48Å; H335-K530 WeakPolarHBondContact CD2-CE 3.42Å; H335-K530 PolarHBondContact CD2-NZ 3.3Å; H335-K530 VanDerWaalsContact CE1-CE 3.42Å; H335-K530 WeakPolarHBondContact CE1-CE 3.22Å; H335-K530 WeakPolarHBondContact NE2-CE 3.43Å; H335-K530 PolarHBondContact NE2-NZ 3.12Å; K530-A580 CarbonylContact O-C 3.33Å; K530-A580 VanDerWaalsContact O-CA 3.31Å; K530-A580 WeakPolarHBondContact O-CA 3.3Å; K530-L581 PolarHBondContact O-N 2.87Å
531	V	81.3	Confident	87.7	Confident	22 Å²	22	25.9 Å²	25.9	13%	0.133	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	124.6	-175.5	-175.8	0	0	0	0	112.5	L336 K337 E338 V579	L336-V531 PolarHBondContact O-N 3.15Å; K337-V531 HydrophobicContact CB-CB 4.39Å; K337-V531 HydrophobicContact CG-CB 4.16Å; K337-V531 HydrophobicContact CG-CG1 4.09Å; E338-V531 PolarHBondContact N-O 2.98Å; V531-V579 WeakPolarHBondContact CA-O 3.5Å
532	R	83.3	Confident	87.7	Confident	21 Å²	21	25 Å²	25	8%	0.079	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	167.3	175.3	-67.5	-173.5	170.3	155.5	-2.3	111.5	E238 E338 I529 S578 V579 G648 D649 T650	E238-R532 IonicContact OE1-CZ 3.9Å; E238-R532 VanDerWaalsContact OE1-CZ 3.24Å; E238-R532 IonicContact OE1-NE 2.89Å; E238-R532 PolarHBondContact OE1-NE 3.34Å; E238-R532 IonicContact OE1-NH2 3.23Å; E238-R532 PolarHBondContact OE1-NH2 2.82Å; E238-R532 IonicContact OE2-CZ 2.96Å; E238-R532 IonicContact OE2-NE 3.6Å; E238-R532 IonicContact OE2-NH2 2.92Å; E238-R532 PolarHBondContact OE2-NH2 2.79Å; E338-R532 WeakPolarHBondContact OE2-CA 3.41Å; I529-R532 HydrophobicContact CG2-CG 4.01Å; R532-S578 WeakPolarHBondContact O-CA 3.44Å; R532-V579 PolarHBondContact N-O 2.76Å; R532-V579 PolarHBondContact O-N 3.41Å; R532-G648 WeakPolarHBondContact CD-O 3.45Å; R532-G648 PolarHBondContact NH1-O 3.02Å; R532-D649 PolarHBondContact NH1-O 3.19Å; R532-D649 VanDerWaalsContact NH1-O 3.11Å; R532-T650 PolarHBondContact NH1-OG1 3.29Å; R532-T650 VanDerWaalsContact NH1-OG1 3.07Å; R532-T650 PolarHBondContact NH2-OG1 3.2Å
533	R	84.8	Confident	87.6	Confident	51 Å²	51	26.2 Å²	26.2	19%	0.192	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.3	167.6	-62.3	-167.9	77.5	172.9	2.5	110.5	E338 L339 E472 P535 D576 Q577	E338-R533 PolarHBondContact OE2-N 3.26Å; L339-R533 WeakPolarHBondContact O-CD 3.46Å; L339-R533 PolarHBondContact O-NH1 3.34Å; E472-R533 IonicContact OE1-NH1 2.67Å; R533-P535 WeakPolarHBondContact O-CD 3.32Å; R533-D576 VanDerWaalsContact CZ-O 3.24Å; R533-D576 PolarHBondContact NE-O 2.92Å; R533-D576 PolarHBondContact NH2-O 3.39Å; R533-Q577 WeakPolarHBondContact CA-O 3.4Å
534	S	86.9	Confident	87.4	Confident	8 Å²	8	29.1 Å²	29.1	6%	0.056	16%	0.161	C	C	.	.			trans	-66.6	123.9	178	-172.3	0	0	0	0	110.3	L536 A574 D576 Q577	S534-L536 PolarHBondContact O-N 2.95Å; S534-L536 PolarHBondContact OG-O 2.77Å; S534-A574 WeakPolarHBondContact CB-O 3.1Å; S534-D576 PolarHBondContact O-N 3.31Å; S534-Q577 PolarHBondContact N-O 3.45Å
535	P	85.1	Confident	87.3	Confident	63 Å²	63	33.6 Å²	33.6	41%	0.409	18%	0.176	S	C	.	.	S	Bend	trans	-74.1	-14.5	-178.4	29.8	-35.8	0	0	0	113.3	M207 R533	M207-P535 HydrophobicContact CE-CG 4.14Å; R533-P535 WeakPolarHBondContact O-CD 3.32Å
536	L	89.9	Confident	87.5	Confident	20 Å²	20	31.3 Å²	31.3	11%	0.105	16%	0.163	C	C	.	.	S	Bend	trans	-142.9	156	-177.3	-61.4	175.7	0	0	0	110.3	S534 Y538 C605 S606 E607	S534-L536 PolarHBondContact O-N 2.95Å; S534-L536 PolarHBondContact OG-O 2.77Å; L536-Y538 HydrophobicContact CB-CD2 4.3Å; L536-Y538 HydrophobicContact CB-CE2 3.68Å; L536-Y538 VanDerWaalsContact O-CD2 3.27Å; L536-Y538 WeakPolarHBondContact O-CD2 3.38Å; L536-Y538 WeakPolarHBondContact O-CE2 3.31Å; L536-C605 HydrophobicContact CB-CB 4.32Å; L536-C605 HydrophobicContact CD1-CB 4.06Å; L536-S606 WeakPolarHBondContact CA-O 3.32Å; L536-S606 WeakPolarHBondContact CB-O 3.4Å; L536-E607 HydrophobicContact CD2-CB 4.2Å; L536-E607 HydrophobicContact CD2-CG 3.41Å; L536-E607 VanDerWaalsContact CD2-CG 3.41Å
537	T	93.3	Very high	87.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	132.4	163.3	-64	0	0	0	0	108.5	F569 T571 I573 A575 C605 S606 K608 E609	T537-F569 HydrophobicContact CG2-CE1 3.84Å; T537-F569 HydrophobicContact CG2-CZ 4.05Å; T537-T571 HydrophobicContact CG2-CG2 3.97Å; T537-I573 CarbonylContact C-O 3.58Å; T537-I573 WeakPolarHBondContact CA-O 3.49Å; T537-A575 PolarHBondContact OG1-N 2.99Å; T537-C605 CarbonylContact O-C 3.58Å; T537-C605 WeakPolarHBondContact O-CA 3.44Å; T537-C605 WeakPolarHBondContact O-CB 3.35Å; T537-S606 PolarHBondContact N-O 3.1Å; T537-S606 PolarHBondContact O-N 2.95Å; T537-K608 VanDerWaalsContact CB-O 3.3Å; T537-K608 WeakPolarHBondContact CB-O 3.25Å; T537-K608 PolarHBondContact OG1-O 2.87Å; T537-E609 WeakPolarHBondContact OG1-CA 3.13Å; T537-E609 PolarHBondContact OG1-O 2.88Å; T537-E609 VanDerWaalsContact OG1-O 3.1Å
538	Y	93.1	Very high	88.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.5	175.4	-63.1	-94.2	0	0	0	111.3	L536 F572 I573 Y604 C605 F647 I652 F671	L536-Y538 HydrophobicContact CB-CD2 4.3Å; L536-Y538 HydrophobicContact CB-CE2 3.68Å; L536-Y538 VanDerWaalsContact O-CD2 3.27Å; L536-Y538 WeakPolarHBondContact O-CD2 3.38Å; L536-Y538 WeakPolarHBondContact O-CE2 3.31Å; Y538-F572 PolarHBondContact O-N 2.96Å; Y538-I573 HydrophobicContact CD2-CG2 3.67Å; Y538-I573 HydrophobicContact CG-CG2 4.33Å; Y538-I573 PolarHBondContact N-O 3.47Å; Y538-I573 PolarHBondContact O-N 3.19Å; Y538-Y604 WeakPolarHBondContact CA-O 3.44Å; Y538-C605 HydrophobicContact CD1-CB 3.58Å; Y538-C605 HydrophobicContact CE1-CB 3.61Å; Y538-C605 HydrophobicContact CG-CB 4.28Å; Y538-F647 HydrophobicContact CD2-CE1 4.06Å; Y538-F647 HydrophobicContact CG-CE1 4.23Å; Y538-I652 HydrophobicContact CD1-CD1 4.12Å; Y538-I652 HydrophobicContact CD2-CD1 3.9Å; Y538-I652 HydrophobicContact CE1-CD1 3.61Å; Y538-I652 HydrophobicContact CE2-CD1 3.34Å; Y538-I652 HydrophobicContact CG-CD1 4.26Å; Y538-I652 WeakPolarHBondContact OH-CD1 3.34Å; Y538-F671 HydrophobicContact CE1-CE1 4.45Å
539	G	94.4	Very high	88.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-173.5	179.5	0	0	0	0	0	112.5	D570 Y604	G539-D570 CarbonylContact C-O 3.16Å; G539-D570 WeakPolarHBondContact CA-O 3.41Å; G539-Y604 PolarHBondContact N-O 3.18Å; G539-Y604 VanDerWaalsContact N-O 3.07Å; G539-Y604 PolarHBondContact O-N 3.01Å
540	V	94.3	Very high	89.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.9	176.7	-55.9	0	0	0	0	111.3	I31 V542 D570 F572 Y589 I601 H602 V603 M645	I31-V540 HydrophobicContact CD1-CG2 4.47Å; V540-V542 HydrophobicContact CG2-CG1 3.72Å; V540-D570 HydrophobicContact CG2-CB 4.34Å; V540-D570 PolarHBondContact N-O 2.92Å; V540-D570 PolarHBondContact O-N 2.69Å; V540-F572 HydrophobicContact CB-CE2 4.48Å; V540-F572 HydrophobicContact CG1-CE2 3.87Å; V540-F572 HydrophobicContact CG1-CZ 4.39Å; V540-F572 HydrophobicContact CG2-CE2 3.92Å; V540-Y589 HydrophobicContact CG2-CE1 4.32Å; V540-Y589 HydrophobicContact CG2-CE2 4.11Å; V540-Y589 VanDerWaalsContact CG2-OH 3.3Å; V540-Y589 WeakPolarHBondContact CG2-OH 3.35Å; V540-I601 HydrophobicContact CB-CG2 3.92Å; V540-I601 HydrophobicContact CG1-CG2 3.72Å; V540-I601 HydrophobicContact CG2-CG2 4.4Å; V540-H602 VanDerWaalsContact CA-O 3.32Å; V540-H602 WeakPolarHBondContact CA-O 3.31Å; V540-H602 WeakPolarHBondContact CB-O 3.41Å; V540-V603 HydrophobicContact CG1-CG2 4.35Å; V540-M645 HydrophobicContact CG1-CE 3.37Å
541	G	92.8	Very high	90	Very high	17 Å²	17	43 Å²	43	18%	0.175	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125	173.5	0	0	0	0	0	111	V568 H602	G541-V568 WeakPolarHBondContact CA-O 3.41Å; G541-H602 PolarHBondContact N-O 3.37Å
542	V	93.1	Very high	90.6	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	160.7	-178.2	-52.2	0	0	0	0	112.8	I31 V540 V568 D570 Y589	I31-V542 HydrophobicContact CD1-CG1 4.08Å; I31-V542 HydrophobicContact CG1-CG1 4.25Å; V540-V542 HydrophobicContact CG2-CG1 3.72Å; V542-V568 HydrophobicContact CG2-CB 3.85Å; V542-V568 HydrophobicContact CG2-CG1 3.94Å; V542-V568 PolarHBondContact N-O 2.68Å; V542-V568 WeakPolarHBondContact O-CB 3.45Å; V542-V568 PolarHBondContact O-N 3.21Å; V542-V568 VanDerWaalsContact O-N 3.09Å; V542-D570 HydrophobicContact CG1-CB 4Å; V542-D570 HydrophobicContact CG2-CB 4.03Å; V542-Y589 HydrophobicContact CG1-CD1 4.14Å; V542-Y589 HydrophobicContact CG1-CE1 3.68Å
543	L	90.8	Very high	91	Very high	31 Å²	31	47.1 Å²	47.1	16%	0.162	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.6	161.2	-61.7	177.7	0	0	0	108.5	I31 T32 P33 W564 C565 T566 A592	I31-L543 PolarHBondContact O-N 3.3Å; T32-L543 WeakPolarHBondContact CA-O 3.22Å; T32-L543 WeakPolarHBondContact CB-O 3.17Å; T32-L543 HydrophobicContact CG2-CB 3.81Å; T32-L543 WeakPolarHBondContact CG2-O 3.47Å; P33-L543 WeakPolarHBondContact CD-O 3.21Å; L543-W564 HydrophobicContact CB-CE3 4.35Å; L543-C565 WeakPolarHBondContact CA-O 3.49Å; L543-T566 HydrophobicContact CD2-CG2 3.91Å; L543-A592 HydrophobicContact CD1-CB 4.04Å
544	N	89.6	Confident	91.5	Very high	61 Å²	61	51.8 Å²	51.8	33%	0.326	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	170.2	174.9	-156	-12.6	0	0	0	110.6	W564 C565 V568	N544-W564 CarbonylContact O-C 3.58Å; N544-W564 WeakPolarHBondContact O-CA 3.45Å; N544-C565 PolarHBondContact N-O 2.92Å; N544-C565 PolarHBondContact O-N 3.13Å; N544-V568 HydrophobicContact CB-CB 4.38Å; N544-V568 HydrophobicContact CB-CG1 4.37Å; N544-V568 HydrophobicContact CB-CG2 3.97Å
545	R	90	Very high	91.8	Very high	133 Å²	133	52.6 Å²	52.6	50%	0.502	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	137.2	173.6	-73.4	-67	179.5	126.4	-12.1	110.5	H551	R545-H551 PolarHBondContact O-CE1 3.4Å; R545-H551 VanDerWaalsContact O-CE1 3.24Å; R545-H551 PolarHBondContact O-ND1 3.07Å
546	F	91.4	Very high	92.2	Very high	21 Å²	21	52.3 Å²	52.3	9%	0.092	28%	0.284	C	S	.	.			trans	-72	133.9	175.1	-165.6	-91.6	0	0	0	110.4	H551 P552 L556 R563 C565	F546-H551 HydrophobicContact CD2-CB 3.93Å; F546-H551 HydrophobicContact CE2-CB 3.59Å; F546-H551 HydrophobicContact CZ-CB 3.99Å; F546-H551 WeakPolarHBondContact CZ-O 3.29Å; F546-P552 WeakPolarHBondContact CE2-O 3.39Å; F546-L556 HydrophobicContact CB-CD1 3.82Å; F546-L556 HydrophobicContact CD1-CD1 3.95Å; F546-L556 HydrophobicContact CD2-CB 3.87Å; F546-L556 HydrophobicContact CD2-CD1 3.8Å; F546-L556 HydrophobicContact CD2-CG 4.42Å; F546-L556 HydrophobicContact CE1-CD1 4.49Å; F546-L556 HydrophobicContact CE2-CB 3.71Å; F546-L556 HydrophobicContact CE2-CD1 4.37Å; F546-L556 HydrophobicContact CG-CB 4.45Å; F546-L556 HydrophobicContact CG-CD1 3.57Å; F546-L556 HydrophobicContact CZ-CB 4.15Å; F546-R563 HydrophobicContact CB-CB 3.91Å; F546-R563 VanDerWaalsContact CD1-NH2 3.31Å; F546-R563 VanDerWaalsContact CE1-NH2 3.3Å; F546-R563 PolarHBondContact N-O 2.88Å; F546-C565 HydrophobicContact CD2-CB 4.12Å
547	V	92.9	Very high	92.3	Very high	70 Å²	70	54.5 Å²	54.5	42%	0.424	30%	0.295	S	S	.	.			trans	-122.9	112.9	177.6	179.8	0	0	0	0	107.6	K550 H551	V547-K550 HydrophobicContact CB-CB 4.07Å; V547-K550 HydrophobicContact CG1-CB 3.84Å; V547-K550 PolarHBondContact O-N 3.28Å; V547-H551 PolarHBondContact N-ND1 3.2Å; V547-H551 PolarHBondContact O-N 3.31Å
548	E	91.8	Very high	92.2	Very high	118 Å²	118	59.7 Å²	59.7	55%	0.551	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	138.7	178.6	-155.5	67.3	-109.3	0	0	110.8	K550 R563	E548-K550 PolarHBondContact O-N 3Å; E548-R563 IonicContact OE1-NH2 3.62Å; E548-R563 IonicContact OE2-CZ 3.95Å; E548-R563 IonicContact OE2-NH1 2.7Å; E548-R563 PolarHBondContact OE2-NH1 3.38Å; E548-R563 IonicContact OE2-NH2 2.78Å; E548-R563 PolarHBondContact OE2-NH2 3.09Å
549	G	89.1	Confident	91.7	Very high	84 Å²	84	63.3 Å²	63.3	87%	0.866	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	-13.7	-178.2	0	0	0	0	0	116
550	K	89.6	Confident	91.1	Very high	158 Å²	158	70 Å²	70	69%	0.687	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-44	171.7	-173.5	-169.6	173.4	-170.3	0	112.3	V547 E548	V547-K550 HydrophobicContact CB-CB 4.07Å; V547-K550 HydrophobicContact CG1-CB 3.84Å; V547-K550 PolarHBondContact O-N 3.28Å; E548-K550 PolarHBondContact O-N 3Å
551	H	92.6	Very high	90.6	Very high	21 Å²	21	73.7 Å²	73.7	10%	0.097	41%	0.412	C	S	.	.	S	Bend	trans	-97.6	141.3	-176.6	-62.7	163.7	0	0	0	110.8	R545 F546 V547 C565	R545-H551 PolarHBondContact O-CE1 3.4Å; R545-H551 VanDerWaalsContact O-CE1 3.24Å; R545-H551 PolarHBondContact O-ND1 3.07Å; F546-H551 HydrophobicContact CD2-CB 3.93Å; F546-H551 HydrophobicContact CE2-CB 3.59Å; F546-H551 HydrophobicContact CZ-CB 3.99Å; F546-H551 WeakPolarHBondContact CZ-O 3.29Å; V547-H551 PolarHBondContact N-ND1 3.2Å; V547-H551 PolarHBondContact O-N 3.31Å; H551-C565 VanDerWaalsContact CG-SG 3.55Å; H551-C565 WeakPolarHBondContact ND1-CB 3.46Å; H551-C565 PolarHBondContact ND1-SG 3.21Å; H551-C565 VanDerWaalsContact ND1-SG 3.4Å
552	P	93.2	Very high	90.3	Very high	36 Å²	36	74.4 Å²	74.4	23%	0.234	41%	0.413	C	S	.	.			trans	-61.4	133.8	178.1	-20.3	32	0	0	0	111.1	F546 E554 K555 F613	F546-P552 WeakPolarHBondContact CE2-O 3.39Å; P552-E554 HydrophobicContact CB-CG 4.28Å; P552-E554 WeakPolarHBondContact CB-OE1 3.24Å; P552-E554 WeakPolarHBondContact CB-OE2 3.35Å; P552-E554 PolarHBondContact O-N 3.36Å; P552-E554 VanDerWaalsContact O-N 3.13Å; P552-K555 HydrophobicContact CB-CG 4.35Å; P552-K555 HydrophobicContact CG-CG 4.43Å; P552-K555 WeakPolarHBondContact O-CB 3.48Å; P552-K555 PolarHBondContact O-N 3.42Å; P552-F613 VanDerWaalsContact CD-CZ 3.45Å; P552-F613 HydrophobicContact CG-CE2 4.06Å; P552-F613 HydrophobicContact CG-CZ 4.07Å
553	P	93.2	Very high	90.2	Very high	94 Å²	94	78.8 Å²	78.8	61%	0.61	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-55	-31.8	-177.6	-27.9	36	0	0	0	114.3	K555 L556	P553-K555 PolarHBondContact O-N 3.3Å; P553-L556 WeakPolarHBondContact O-CB 3.43Å; P553-L556 PolarHBondContact O-N 3.35Å
554	E	94.4	Very high	90.3	Very high	148 Å²	148	79.6 Å²	79.6	69%	0.692	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-67.3	-13.4	176.8	69.4	-85.6	-160.2	0	0	114.4	P552	P552-E554 HydrophobicContact CB-CG 4.28Å; P552-E554 WeakPolarHBondContact CB-OE1 3.24Å; P552-E554 WeakPolarHBondContact CB-OE2 3.35Å; P552-E554 PolarHBondContact O-N 3.36Å; P552-E554 VanDerWaalsContact O-N 3.13Å
555	K	92.8	Very high	90.4	Very high	25 Å²	25	76.7 Å²	76.7	11%	0.109	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-91.4	-1.1	171.8	-61.4	-57.3	-167.5	-172	0	113.4	P552 P553 L557 C565 T566 D567 F613 S615	P552-K555 HydrophobicContact CB-CG 4.35Å; P552-K555 HydrophobicContact CG-CG 4.43Å; P552-K555 WeakPolarHBondContact O-CB 3.48Å; P552-K555 PolarHBondContact O-N 3.42Å; P553-K555 PolarHBondContact O-N 3.3Å; K555-L557 PolarHBondContact O-N 3.03Å; K555-C565 CarbonylContact O-C 3.56Å; K555-C565 WeakPolarHBondContact O-CA 3.42Å; K555-T566 PolarHBondContact O-N 3Å; K555-T566 PolarHBondContact O-OG1 2.69Å; K555-D567 HydrophobicContact CD-CB 4.39Å; K555-D567 IonicContact NZ-OD2 3.1Å; K555-D567 PolarHBondContact NZ-OD2 2.81Å; K555-F613 HydrophobicContact CB-CE1 4.37Å; K555-F613 HydrophobicContact CD-CD1 4.34Å; K555-F613 HydrophobicContact CG-CD1 4.13Å; K555-F613 HydrophobicContact CG-CE1 3.83Å; K555-F613 HydrophobicContact CG-CZ 4.36Å; K555-S615 PolarHBondContact NZ-OG 3.43Å
556	L	93.7	Very high	90.6	Very high	57 Å²	57	71.7 Å²	71.7	30%	0.298	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	119.9	178.6	177.1	62.4	0	0	0	111.5	F546 P553 I558 R563 W564	F546-L556 HydrophobicContact CB-CD1 3.82Å; F546-L556 HydrophobicContact CD1-CD1 3.95Å; F546-L556 HydrophobicContact CD2-CB 3.87Å; F546-L556 HydrophobicContact CD2-CD1 3.8Å; F546-L556 HydrophobicContact CD2-CG 4.42Å; F546-L556 HydrophobicContact CE1-CD1 4.49Å; F546-L556 HydrophobicContact CE2-CB 3.71Å; F546-L556 HydrophobicContact CE2-CD1 4.37Å; F546-L556 HydrophobicContact CG-CB 4.45Å; F546-L556 HydrophobicContact CG-CD1 3.57Å; F546-L556 HydrophobicContact CZ-CB 4.15Å; P553-L556 WeakPolarHBondContact O-CB 3.43Å; P553-L556 PolarHBondContact O-N 3.35Å; L556-I558 HydrophobicContact CD1-CG1 4.12Å; L556-I558 HydrophobicContact CD2-CD1 4.38Å; L556-I558 HydrophobicContact CD2-CG1 4.34Å; L556-I558 HydrophobicContact CG-CG1 4.14Å; L556-R563 HydrophobicContact CD1-CB 3.79Å; L556-R563 HydrophobicContact CD1-CG 4.13Å; L556-W564 WeakPolarHBondContact CA-O 3.47Å
557	L	91.9	Very high	90.7	Very high	66 Å²	66	73.3 Å²	73.3	35%	0.346	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	118.6	166.3	176.2	66.1	0	0	0	109.5	K555 W564 T566	K555-L557 PolarHBondContact O-N 3.03Å; L557-W564 HydrophobicContact CB-CB 4.39Å; L557-W564 PolarHBondContact N-O 3.4Å; L557-W564 PolarHBondContact O-N 2.91Å; L557-T566 HydrophobicContact CB-CG2 3.7Å; L557-T566 HydrophobicContact CD2-CG2 4.02Å; L557-T566 HydrophobicContact CG-CG2 4.49Å
558	I	90.6	Very high	90.8	Very high	110 Å²	110	70.7 Å²	70.7	56%	0.564	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.6	171.5	-52.8	-173.3	0	0	0	108.6	L556 T562 R563	L556-I558 HydrophobicContact CD1-CG1 4.12Å; L556-I558 HydrophobicContact CD2-CD1 4.38Å; L556-I558 HydrophobicContact CD2-CG1 4.34Å; L556-I558 HydrophobicContact CG-CG1 4.14Å; I558-T562 WeakPolarHBondContact CA-O 3.29Å; I558-R563 HydrophobicContact CD1-CG 4.47Å; I558-R563 HydrophobicContact CG1-CG 4.27Å
559	K	82.8	Confident	91	Very high	75 Å²	75	65.6 Å²	65.6	33%	0.326	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	130.4	-178.5	-167.2	177.2	-174.7	174.2	0	110.4	G561 T562	K559-G561 VanDerWaalsContact C-N 3.26Å; K559-G561 PolarHBondContact O-N 3.21Å; K559-T562 PolarHBondContact N-O 2.94Å; K559-T562 WeakPolarHBondContact O-CA 3.07Å; K559-T562 WeakPolarHBondContact O-CB 3.48Å; K559-T562 PolarHBondContact O-N 2.79Å
560	D	82.5	Confident	91.2	Very high	141 Å²	141	63.3 Å²	63.3	75%	0.754	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	46.9	-179.5	-48.7	-38.5	0	0	0	111.9	T562	D560-T562 PolarHBondContact O-N 3.23Å
561	G	83.8	Confident	91.5	Very high	78 Å²	78	57.8 Å²	57.8	80%	0.804	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	-6.2	-175.6	0	0	0	0	0	115.8	K559	K559-G561 VanDerWaalsContact C-N 3.26Å; K559-G561 PolarHBondContact O-N 3.21Å
562	T	86.5	Confident	91.5	Very high	32 Å²	32	57.2 Å²	57.2	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.3	-176.2	-61.2	0	0	0	0	111.9	I558 K559 D560 W564	I558-T562 WeakPolarHBondContact CA-O 3.29Å; K559-T562 PolarHBondContact N-O 2.94Å; K559-T562 WeakPolarHBondContact O-CA 3.07Å; K559-T562 WeakPolarHBondContact O-CB 3.48Å; K559-T562 PolarHBondContact O-N 2.79Å; D560-T562 PolarHBondContact O-N 3.23Å; T562-W564 HydrophobicContact CG2-CD2 3.97Å; T562-W564 HydrophobicContact CG2-CG 4.32Å; T562-W564 HydrophobicContact CG2-CH2 4.4Å; T562-W564 HydrophobicContact CG2-CZ2 3.63Å
563	R	92.1	Very high	91.5	Very high	95 Å²	95	55.5 Å²	55.5	36%	0.358	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	113.1	171.9	-60.2	-175.1	66.7	-169.7	-1.7	110.7	F546 E548 L556 I558	F546-R563 HydrophobicContact CB-CB 3.91Å; F546-R563 VanDerWaalsContact CD1-NH2 3.31Å; F546-R563 VanDerWaalsContact CE1-NH2 3.3Å; F546-R563 PolarHBondContact N-O 2.88Å; E548-R563 IonicContact OE1-NH2 3.62Å; E548-R563 IonicContact OE2-CZ 3.95Å; E548-R563 IonicContact OE2-NH1 2.7Å; E548-R563 PolarHBondContact OE2-NH1 3.38Å; E548-R563 IonicContact OE2-NH2 2.78Å; E548-R563 PolarHBondContact OE2-NH2 3.09Å; L556-R563 HydrophobicContact CD1-CB 3.79Å; L556-R563 HydrophobicContact CD1-CG 4.13Å; I558-R563 HydrophobicContact CD1-CG 4.47Å; I558-R563 HydrophobicContact CG1-CG 4.27Å
564	W	91.3	Very high	91.6	Very high	48 Å²	48	51.9 Å²	51.9	18%	0.182	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	152.6	176.8	-60.3	99.4	0	0	0	111.2	T32 L543 N544 L556 L557 T562	T32-W564 HydrophobicContact CG2-CE3 4.01Å; T32-W564 HydrophobicContact CG2-CH2 3.71Å; T32-W564 HydrophobicContact CG2-CZ3 3.37Å; L543-W564 HydrophobicContact CB-CE3 4.35Å; N544-W564 CarbonylContact O-C 3.58Å; N544-W564 WeakPolarHBondContact O-CA 3.45Å; L556-W564 WeakPolarHBondContact CA-O 3.47Å; L557-W564 HydrophobicContact CB-CB 4.39Å; L557-W564 PolarHBondContact N-O 3.4Å; L557-W564 PolarHBondContact O-N 2.91Å; T562-W564 HydrophobicContact CG2-CD2 3.97Å; T562-W564 HydrophobicContact CG2-CG 4.32Å; T562-W564 HydrophobicContact CG2-CH2 4.4Å; T562-W564 HydrophobicContact CG2-CZ2 3.63Å
565	C	93.2	Very high	91.4	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.3	167.8	-164.9	0	0	0	0	107.7	L543 N544 F546 H551 K555 V568	L543-C565 WeakPolarHBondContact CA-O 3.49Å; N544-C565 PolarHBondContact N-O 2.92Å; N544-C565 PolarHBondContact O-N 3.13Å; F546-C565 HydrophobicContact CD2-CB 4.12Å; H551-C565 VanDerWaalsContact CG-SG 3.55Å; H551-C565 WeakPolarHBondContact ND1-CB 3.46Å; H551-C565 PolarHBondContact ND1-SG 3.21Å; H551-C565 VanDerWaalsContact ND1-SG 3.4Å; K555-C565 CarbonylContact O-C 3.56Å; K555-C565 WeakPolarHBondContact O-CA 3.42Å; C565-V568 HydrophobicContact CB-CG2 3.97Å
566	T	93.4	Very high	91.1	Very high	28 Å²	28	46 Å²	46	17%	0.172	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	164.5	177.9	57.4	0	0	0	0	112	L543 K555 L557 V568	L543-T566 HydrophobicContact CD2-CG2 3.91Å; K555-T566 PolarHBondContact O-N 3Å; K555-T566 PolarHBondContact O-OG1 2.69Å; L557-T566 HydrophobicContact CB-CG2 3.7Å; L557-T566 HydrophobicContact CD2-CG2 4.02Å; L557-T566 HydrophobicContact CG-CG2 4.49Å; T566-V568 PolarHBondContact O-N 2.72Å; T566-V568 VanDerWaalsContact O-N 3.09Å
567	D	93.3	Very high	90.8	Very high	55 Å²	55	46.7 Å²	46.7	29%	0.294	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.8	22.6	172	-51.5	-26.8	0	0	0	115.4	K555 F569 F613 I614	K555-D567 HydrophobicContact CD-CB 4.39Å; K555-D567 IonicContact NZ-OD2 3.1Å; K555-D567 PolarHBondContact NZ-OD2 2.81Å; D567-F569 PolarHBondContact O-N 2.98Å; D567-F613 HydrophobicContact CB-CD1 4.49Å; D567-F613 CarbonylContact O-C 3.52Å; D567-F613 WeakPolarHBondContact O-CA 3.41Å; D567-F613 WeakPolarHBondContact O-CB 3.2Å; D567-I614 HydrophobicContact CB-CD1 4.3Å; D567-I614 HydrophobicContact CB-CG1 3.63Å; D567-I614 WeakPolarHBondContact O-CG1 3.4Å; D567-I614 PolarHBondContact O-N 3.13Å
568	V	94.8	Very high	90.6	Very high	16 Å²	16	46.1 Å²	46.1	10%	0.097	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.7	-178.3	176.4	0	0	0	0	109.5	G541 V542 N544 C565 T566 F613	G541-V568 WeakPolarHBondContact CA-O 3.41Å; V542-V568 HydrophobicContact CG2-CB 3.85Å; V542-V568 HydrophobicContact CG2-CG1 3.94Å; V542-V568 PolarHBondContact N-O 2.68Å; V542-V568 WeakPolarHBondContact O-CB 3.45Å; V542-V568 PolarHBondContact O-N 3.21Å; V542-V568 VanDerWaalsContact O-N 3.09Å; N544-V568 HydrophobicContact CB-CB 4.38Å; N544-V568 HydrophobicContact CB-CG1 4.37Å; N544-V568 HydrophobicContact CB-CG2 3.97Å; C565-V568 HydrophobicContact CB-CG2 3.97Å; T566-V568 PolarHBondContact O-N 2.72Å; T566-V568 VanDerWaalsContact O-N 3.09Å; V568-F613 HydrophobicContact CG2-CD1 4.49Å; V568-F613 HydrophobicContact CG2-CE1 4.18Å
569	F	95.7	Very high	90.3	Very high	11 Å²	11	41 Å²	41	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	112.3	172.2	-168.7	-75.3	0	0	0	108.7	T537 D567 T571 A611 G612 I614 V619	T537-F569 HydrophobicContact CG2-CE1 3.84Å; T537-F569 HydrophobicContact CG2-CZ 4.05Å; D567-F569 PolarHBondContact O-N 2.98Å; F569-T571 WeakPolarHBondContact CD1-OG1 3.13Å; F569-T571 WeakPolarHBondContact CE1-OG1 3.24Å; F569-A611 HydrophobicContact CB-CB 4.48Å; F569-A611 HydrophobicContact CD1-CB 4.26Å; F569-A611 HydrophobicContact CD2-CB 4.17Å; F569-A611 HydrophobicContact CE2-CB 4.48Å; F569-A611 HydrophobicContact CG-CB 4.07Å; F569-G612 PolarHBondContact N-O 3.21Å; F569-I614 HydrophobicContact CB-CG2 4.27Å; F569-I614 HydrophobicContact CD2-CG2 3.92Å; F569-I614 HydrophobicContact CG-CG2 4.5Å; F569-V619 HydrophobicContact CD2-CG1 3.86Å; F569-V619 HydrophobicContact CE2-CG1 3.75Å
570	D	94.9	Very high	90.5	Very high	35 Å²	35	39.5 Å²	39.5	19%	0.187	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	108.6	174.4	-175.1	22.3	0	0	0	110.2	G539 V540 V542 Y589	G539-D570 CarbonylContact C-O 3.16Å; G539-D570 WeakPolarHBondContact CA-O 3.41Å; V540-D570 HydrophobicContact CG2-CB 4.34Å; V540-D570 PolarHBondContact N-O 2.92Å; V540-D570 PolarHBondContact O-N 2.69Å; V542-D570 HydrophobicContact CG1-CB 4Å; V542-D570 HydrophobicContact CG2-CB 4.03Å; D570-Y589 VanDerWaalsContact OD2-CE1 3.27Å; D570-Y589 WeakPolarHBondContact OD2-CE1 3.38Å; D570-Y589 PolarHBondContact OD2-OH 3.04Å
571	T	94.4	Very high	90.4	Very high	42 Å²	42	36.2 Å²	36.2	26%	0.258	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.7	-171.9	-56.4	0	0	0	0	112.4	T537 F569 I573 R587	T537-T571 HydrophobicContact CG2-CG2 3.97Å; F569-T571 WeakPolarHBondContact CD1-OG1 3.13Å; F569-T571 WeakPolarHBondContact CE1-OG1 3.24Å; T571-I573 WeakPolarHBondContact CG2-O 3.4Å; T571-R587 PolarHBondContact O-NH2 3.32Å
572	F	94.1	Very high	90.3	Very high	9 Å²	9	33.7 Å²	33.7	4%	0.039	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-49.5	169.7	-79.7	-119.6	0	0	0	110.8	Y538 V540 V585 R587 Y589 T643 M645 F647	Y538-F572 PolarHBondContact O-N 2.96Å; V540-F572 HydrophobicContact CB-CE2 4.48Å; V540-F572 HydrophobicContact CG1-CE2 3.87Å; V540-F572 HydrophobicContact CG1-CZ 4.39Å; V540-F572 HydrophobicContact CG2-CE2 3.92Å; F572-V585 HydrophobicContact CB-CB 4.27Å; F572-V585 HydrophobicContact CB-CG1 3.99Å; F572-V585 HydrophobicContact CD1-CB 3.88Å; F572-V585 HydrophobicContact CD1-CG1 3.69Å; F572-V585 WeakPolarHBondContact CD1-O 3.4Å; F572-V585 WeakPolarHBondContact CE1-O 3.35Å; F572-V585 HydrophobicContact CG-CB 4.5Å; F572-V585 HydrophobicContact CG-CG1 4.08Å; F572-R587 HydrophobicContact CD1-CG 4.29Å; F572-R587 HydrophobicContact CD2-CG 4.12Å; F572-R587 HydrophobicContact CE1-CB 4.14Å; F572-R587 HydrophobicContact CE1-CG 3.81Å; F572-R587 HydrophobicContact CE2-CB 4.13Å; F572-R587 HydrophobicContact CE2-CG 3.64Å; F572-R587 HydrophobicContact CG-CG 4.44Å; F572-R587 HydrophobicContact CZ-CB 3.63Å; F572-R587 HydrophobicContact CZ-CG 3.48Å; F572-R587 VanDerWaalsContact CZ-CG 3.48Å; F572-Y589 VanDerWaalsContact CE2-OH 3.25Å; F572-Y589 WeakPolarHBondContact CE2-OH 3.26Å; F572-Y589 HydrophobicContact CZ-CE2 4.27Å; F572-T643 HydrophobicContact CE1-CG2 4.14Å; F572-T643 HydrophobicContact CZ-CG2 3.76Å; F572-M645 HydrophobicContact CB-SD 4.26Å; F572-M645 HydrophobicContact CD1-CB 3.85Å; F572-M645 HydrophobicContact CD1-CE 4.29Å; F572-M645 HydrophobicContact CD1-CG 3.71Å; F572-M645 HydrophobicContact CD1-SD 3.79Å; F572-M645 HydrophobicContact CD2-CE 4.22Å; F572-M645 HydrophobicContact CD2-SD 4.33Å; F572-M645 HydrophobicContact CE1-CB 4.28Å; F572-M645 HydrophobicContact CE1-CE 4.16Å; F572-M645 HydrophobicContact CE1-CG 3.81Å; F572-M645 HydrophobicContact CE1-SD 4.18Å; F572-M645 HydrophobicContact CE2-CE 4.07Å; F572-M645 HydrophobicContact CG-CE 4.33Å; F572-M645 HydrophobicContact CG-CG 4.41Å; F572-M645 HydrophobicContact CG-SD 3.88Å; F572-M645 HydrophobicContact CZ-CE 4.04Å; F572-F647 HydrophobicContact CB-CE2 4.31Å; F572-F647 HydrophobicContact CB-CZ 4.14Å
573	I	92.9	Very high	90.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.4	-179.3	-151.5	91.8	0	0	0	108.6	T537 Y538 T571 Q577 V579 V585 F647	T537-I573 CarbonylContact C-O 3.58Å; T537-I573 WeakPolarHBondContact CA-O 3.49Å; Y538-I573 HydrophobicContact CD2-CG2 3.67Å; Y538-I573 HydrophobicContact CG-CG2 4.33Å; Y538-I573 PolarHBondContact N-O 3.47Å; Y538-I573 PolarHBondContact O-N 3.19Å; T571-I573 WeakPolarHBondContact CG2-O 3.4Å; I573-Q577 HydrophobicContact CD1-CG 4.34Å; I573-Q577 VanDerWaalsContact CD1-NE2 3.28Å; I573-Q577 HydrophobicContact CG1-CB 4.22Å; I573-Q577 HydrophobicContact CG1-CG 4.26Å; I573-V579 HydrophobicContact CD1-CG1 4.27Å; I573-V579 HydrophobicContact CD1-CG2 3.85Å; I573-V579 HydrophobicContact CG1-CG2 3.96Å; I573-V585 HydrophobicContact CD1-CG2 4.25Å; I573-F647 HydrophobicContact CB-CE1 4.21Å; I573-F647 HydrophobicContact CB-CE2 4.23Å; I573-F647 HydrophobicContact CB-CZ 3.99Å; I573-F647 HydrophobicContact CD1-CD2 4.37Å; I573-F647 HydrophobicContact CG2-CD1 4.14Å; I573-F647 HydrophobicContact CG2-CE1 3.6Å; I573-F647 HydrophobicContact CG2-CE2 4.49Å; I573-F647 HydrophobicContact CG2-CZ 3.8Å
574	A	93.5	Very high	90	Very high	19 Å²	19	34.4 Å²	34.4	16%	0.157	20%	0.196	C	C	.	.			trans	-88.3	156.1	173.1	0	0	0	0	0	111.8	S534 Q577 E609	S534-A574 WeakPolarHBondContact CB-O 3.1Å; A574-Q577 HydrophobicContact CB-CB 4.36Å; A574-Q577 VanDerWaalsContact O-CB 3.22Å; A574-Q577 WeakPolarHBondContact O-CB 3.46Å; A574-Q577 PolarHBondContact O-N 3.12Å; A574-E609 HydrophobicContact CB-CG 4.27Å
575	A	90.4	Very high	90	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.025	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	145.7	166.2	0	0	0	0	0	109.6	T537 Q577	T537-A575 PolarHBondContact OG1-N 2.99Å; A575-Q577 PolarHBondContact O-N 3.18Å
576	D	86.8	Confident	89.9	Confident	46 Å²	46	35.1 Å²	35.1	25%	0.246	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	2.8	-177.2	-63	-48.7	0	0	0	115.6	K341 R533 S534	K341-D576 VanDerWaalsContact CD-OD1 3.25Å; K341-D576 WeakPolarHBondContact CD-OD1 3.01Å; K341-D576 WeakPolarHBondContact CE-OD1 3.42Å; K341-D576 IonicContact NZ-OD1 3.4Å; K341-D576 PolarHBondContact NZ-OD1 2.71Å; K341-D576 IonicContact NZ-OD2 3.04Å; K341-D576 PolarHBondContact NZ-OD2 3.01Å; R533-D576 VanDerWaalsContact CZ-O 3.24Å; R533-D576 PolarHBondContact NE-O 2.92Å; R533-D576 PolarHBondContact NH2-O 3.39Å; S534-D576 PolarHBondContact O-N 3.31Å
577	Q	88.9	Confident	89.9	Confident	71 Å²	71	35.7 Å²	35.7	33%	0.332	20%	0.2	S	C	.	.			trans	-61.6	136.9	170.1	-175.3	175	-24.5	0	0	110.3	R533 S534 I573 A574 A575 V579	R533-Q577 WeakPolarHBondContact CA-O 3.4Å; S534-Q577 PolarHBondContact N-O 3.45Å; I573-Q577 HydrophobicContact CD1-CG 4.34Å; I573-Q577 VanDerWaalsContact CD1-NE2 3.28Å; I573-Q577 HydrophobicContact CG1-CB 4.22Å; I573-Q577 HydrophobicContact CG1-CG 4.26Å; A574-Q577 HydrophobicContact CB-CB 4.36Å; A574-Q577 VanDerWaalsContact O-CB 3.22Å; A574-Q577 WeakPolarHBondContact O-CB 3.46Å; A574-Q577 PolarHBondContact O-N 3.12Å; A575-Q577 PolarHBondContact O-N 3.18Å; Q577-V579 WeakPolarHBondContact O-CG2 3.49Å
578	S	86.7	Confident	89.8	Confident	54 Å²	54	33.6 Å²	33.6	38%	0.378	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	133.6	169.8	-65.2	0	0	0	0	110	R532	R532-S578 WeakPolarHBondContact O-CA 3.44Å
579	V	84.9	Confident	89.7	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.024	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	128.1	-173	-165.8	0	0	0	0	110	V531 R532 I573 Q577 E583 F647	V531-V579 WeakPolarHBondContact CA-O 3.5Å; R532-V579 PolarHBondContact N-O 2.76Å; R532-V579 PolarHBondContact O-N 3.41Å; I573-V579 HydrophobicContact CD1-CG1 4.27Å; I573-V579 HydrophobicContact CD1-CG2 3.85Å; I573-V579 HydrophobicContact CG1-CG2 3.96Å; Q577-V579 WeakPolarHBondContact O-CG2 3.49Å; V579-E583 WeakPolarHBondContact CA-OE2 3.41Å; V579-E583 HydrophobicContact CG1-CB 3.86Å; V579-E583 HydrophobicContact CG1-CG 4.39Å; V579-F647 HydrophobicContact CG1-CB 3.5Å; V579-F647 VanDerWaalsContact CG1-CB 3.5Å
580	A	85.5	Confident	89.3	Confident	42 Å²	42	33 Å²	33	35%	0.347	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	151.9	175.9	0	0	0	0	0	111.9	K530 G582 E583	K530-A580 CarbonylContact O-C 3.33Å; K530-A580 VanDerWaalsContact O-CA 3.31Å; K530-A580 WeakPolarHBondContact O-CA 3.3Å; A580-G582 PolarHBondContact O-N 3.41Å; A580-G582 VanDerWaalsContact O-N 3.15Å; A580-E583 HydrophobicContact CB-CB 4.23Å; A580-E583 PolarHBondContact N-OE2 2.81Å; A580-E583 WeakPolarHBondContact O-CB 3.46Å; A580-E583 PolarHBondContact O-N 3.45Å
581	L	81.9	Confident	88.9	Confident	72 Å²	72	32 Å²	32	38%	0.377	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	118.7	175.1	179.8	63.3	0	0	0	110.4	K530 E583	K530-L581 PolarHBondContact O-N 2.87Å; L581-E583 VanDerWaalsContact C-N 3.31Å
582	G	80.8	Confident	88.1	Confident	25 Å²	25	31.7 Å²	31.7	26%	0.258	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	4.9	-178.9	0	0	0	0	0	114.8	A580 M584 F647	A580-G582 PolarHBondContact O-N 3.41Å; A580-G582 VanDerWaalsContact O-N 3.15Å; G582-M584 PolarHBondContact O-N 2.63Å; G582-F647 WeakPolarHBondContact CA-O 3.41Å; G582-F647 PolarHBondContact N-O 3.37Å
583	E	84.8	Confident	87.4	Confident	67 Å²	67	36 Å²	36	31%	0.313	20%	0.203	S	C	.	.			trans	-54.9	125.9	177.2	-173.5	177.7	148.7	0	0	110.8	V579 A580 L581 Q646 F647	V579-E583 WeakPolarHBondContact CA-OE2 3.41Å; V579-E583 HydrophobicContact CG1-CB 3.86Å; V579-E583 HydrophobicContact CG1-CG 4.39Å; A580-E583 HydrophobicContact CB-CB 4.23Å; A580-E583 PolarHBondContact N-OE2 2.81Å; A580-E583 WeakPolarHBondContact O-CB 3.46Å; A580-E583 PolarHBondContact O-N 3.45Å; L581-E583 VanDerWaalsContact C-N 3.31Å; E583-Q646 WeakPolarHBondContact O-CA 3.5Å; E583-F647 PolarHBondContact O-N 3.17Å
584	M	88.1	Confident	86.6	Confident	76 Å²	76	42.9 Å²	42.9	37%	0.374	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.3	-173.1	-165.8	177.9	-57.5	0	0	110.7	G582 L644 M645	G582-M584 PolarHBondContact O-N 2.63Å; M584-L644 HydrophobicContact CG-CB 4.17Å; M584-L644 HydrophobicContact CG-CD2 4.42Å; M584-L644 HydrophobicContact SD-CB 3.95Å; M584-L644 HydrophobicContact SD-CD2 3.49Å; M584-L644 WeakPolarHBondContact SD-CD2 3.49Å; M584-L644 HydrophobicContact SD-CG 4.34Å; M584-M645 CarbonylContact C-O 3.59Å; M584-M645 WeakPolarHBondContact CA-O 3.4Å
585	V	90.6	Very high	86	Confident	12 Å²	12	46.1 Å²	46.1	7%	0.073	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	120.3	173.1	-177	0	0	0	0	108.8	F572 I573 L644 M645 F647	F572-V585 HydrophobicContact CB-CB 4.27Å; F572-V585 HydrophobicContact CB-CG1 3.99Å; F572-V585 HydrophobicContact CD1-CB 3.88Å; F572-V585 HydrophobicContact CD1-CG1 3.69Å; F572-V585 WeakPolarHBondContact CD1-O 3.4Å; F572-V585 WeakPolarHBondContact CE1-O 3.35Å; F572-V585 HydrophobicContact CG-CB 4.5Å; F572-V585 HydrophobicContact CG-CG1 4.08Å; I573-V585 HydrophobicContact CD1-CG2 4.25Å; V585-L644 WeakPolarHBondContact O-CA 3.48Å; V585-M645 PolarHBondContact N-O 3.13Å; V585-M645 PolarHBondContact O-N 2.8Å; V585-F647 HydrophobicContact CB-CE2 4.15Å; V585-F647 HydrophobicContact CG2-CD2 4.25Å; V585-F647 HydrophobicContact CG2-CE2 4.01Å
586	K	92.1	Very high	85.5	Confident	51 Å²	51	47.1 Å²	47.1	22%	0.222	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	136.3	177.6	176	175.4	167.5	170.1	0	110.6	Q642 T643 L644	K586-Q642 VanDerWaalsContact CE-OE1 3.27Å; K586-T643 WeakPolarHBondContact CA-O 3.42Å; K586-L644 HydrophobicContact CB-CG 4.47Å; K586-L644 HydrophobicContact CD-CD2 4.44Å; K586-L644 HydrophobicContact CG-CG 4.36Å
587	R	92.6	Very high	85.3	Confident	40 Å²	40	49.2 Å²	49.2	15%	0.151	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.6	167.9	-64.2	-68.3	-170.4	-122.4	-0.6	109.4	T571 F572 Y589 T643	T571-R587 PolarHBondContact O-NH2 3.32Å; F572-R587 HydrophobicContact CD1-CG 4.29Å; F572-R587 HydrophobicContact CD2-CG 4.12Å; F572-R587 HydrophobicContact CE1-CB 4.14Å; F572-R587 HydrophobicContact CE1-CG 3.81Å; F572-R587 HydrophobicContact CE2-CB 4.13Å; F572-R587 HydrophobicContact CE2-CG 3.64Å; F572-R587 HydrophobicContact CG-CG 4.44Å; F572-R587 HydrophobicContact CZ-CB 3.63Å; F572-R587 HydrophobicContact CZ-CG 3.48Å; F572-R587 VanDerWaalsContact CZ-CG 3.48Å; R587-Y589 HydrophobicContact CB-CE1 4.43Å; R587-Y589 HydrophobicContact CB-CE2 3.61Å; R587-Y589 WeakPolarHBondContact CB-OH 3.5Å; R587-Y589 WeakPolarHBondContact CG-OH 3.42Å; R587-T643 PolarHBondContact N-O 2.87Å; R587-T643 PolarHBondContact O-N 3.06Å
588	S	92.3	Very high	85.2	Confident	11 Å²	11	47.5 Å²	47.5	8%	0.077	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.1	177.5	-67.5	0	0	0	0	109.9	L34 E640	L34-S588 PolarHBondContact N-O 3.24Å; S588-E640 VanDerWaalsContact CB-OE1 3.25Å; S588-E640 WeakPolarHBondContact CB-OE1 3.42Å; S588-E640 PolarHBondContact OG-OE1 3.06Å
589	Y	91.3	Very high	85.2	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	166.6	179.8	-56.8	-74.1	0	0	0	111	I31 T32 P33 V540 V542 D570 F572 R587 E640 I641 T643	I31-Y589 HydrophobicContact CD1-CD1 3.87Å; I31-Y589 HydrophobicContact CD1-CD2 3.82Å; I31-Y589 HydrophobicContact CD1-CE1 4.35Å; I31-Y589 HydrophobicContact CD1-CE2 4.24Å; I31-Y589 HydrophobicContact CD1-CG 3.63Å; T32-Y589 CarbonylContact O-C 3.52Å; T32-Y589 WeakPolarHBondContact O-CA 3.44Å; P33-Y589 HydrophobicContact CB-CD1 4.14Å; P33-Y589 HydrophobicContact CB-CE1 4.07Å; V540-Y589 HydrophobicContact CG2-CE1 4.32Å; V540-Y589 HydrophobicContact CG2-CE2 4.11Å; V540-Y589 VanDerWaalsContact CG2-OH 3.3Å; V540-Y589 WeakPolarHBondContact CG2-OH 3.35Å; V542-Y589 HydrophobicContact CG1-CD1 4.14Å; V542-Y589 HydrophobicContact CG1-CE1 3.68Å; D570-Y589 VanDerWaalsContact OD2-CE1 3.27Å; D570-Y589 WeakPolarHBondContact OD2-CE1 3.38Å; D570-Y589 PolarHBondContact OD2-OH 3.04Å; F572-Y589 VanDerWaalsContact CE2-OH 3.25Å; F572-Y589 WeakPolarHBondContact CE2-OH 3.26Å; F572-Y589 HydrophobicContact CZ-CE2 4.27Å; R587-Y589 HydrophobicContact CB-CE1 4.43Å; R587-Y589 HydrophobicContact CB-CE2 3.61Å; R587-Y589 WeakPolarHBondContact CB-OH 3.5Å; R587-Y589 WeakPolarHBondContact CG-OH 3.42Å; Y589-E640 WeakPolarHBondContact O-CA 3.43Å; Y589-I641 PolarHBondContact N-O 3.3Å; Y589-I641 PolarHBondContact O-N 3.16Å; Y589-T643 WeakPolarHBondContact CD2-OG1 3.47Å; Y589-T643 WeakPolarHBondContact CE2-OG1 3.42Å
590	T	88.2	Confident	85.3	Confident	15 Å²	15	45.9 Å²	45.9	9%	0.092	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.5	167.4	-179.5	0	0	0	0	109.8	T32 L34 R639	T32-T590 PolarHBondContact N-O 2.79Å; T32-T590 PolarHBondContact O-N 3.23Å; T32-T590 WeakPolarHBondContact OG1-CG2 3.23Å; T32-T590 PolarHBondContact OG1-O 2.94Å; L34-T590 HydrophobicContact CD2-CG2 4.36Å; T590-R639 WeakPolarHBondContact CA-O 3.45Å; T590-R639 WeakPolarHBondContact CB-O 3.31Å; T590-R639 PolarHBondContact OG1-O 3.38Å
591	P	85.8	Confident	85.5	Confident	14 Å²	14	44 Å²	44	9%	0.091	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	144.8	176.8	-23.2	34.6	0	0	0	111.9	K593 Q596 I599 R639 I641	P591-K593 PolarHBondContact O-N 2.72Å; P591-Q596 HydrophobicContact CB-CB 4.17Å; P591-I599 HydrophobicContact CB-CD1 3.73Å; P591-I599 HydrophobicContact CG-CD1 3.47Å; P591-I599 VanDerWaalsContact CG-CD1 3.47Å; P591-I599 HydrophobicContact CG-CG1 4.34Å; P591-R639 VanDerWaalsContact CD-O 3.25Å; P591-R639 WeakPolarHBondContact CD-O 3.06Å; P591-I641 HydrophobicContact CG-CG1 4.28Å
592	A	78.8	Confident	85.9	Confident	35 Å²	35	42.7 Å²	42.7	29%	0.289	24%	0.239	S	C	.	.	S	Bend	trans	-67	-18	178.2	0	0	0	0	0	113.8	G30 L543	G30-A592 WeakPolarHBondContact O-CB 3.39Å; G30-A592 PolarHBondContact O-N 2.66Å; L543-A592 HydrophobicContact CD1-CB 4.04Å
593	K	78.3	Confident	86.4	Confident	100 Å²	100	41.5 Å²	41.5	44%	0.435	23%	0.227	S	C	.	.	S	Bend	trans	-131.4	134.9	171.5	-64.7	-176.8	-179.9	-177.6	0	110.6	P591 S595 Q596	P591-K593 PolarHBondContact O-N 2.72Å; K593-S595 PolarHBondContact O-N 2.83Å; K593-Q596 HydrophobicContact CB-CB 4.33Å; K593-Q596 WeakPolarHBondContact O-CB 3.5Å; K593-Q596 PolarHBondContact O-N 3.28Å; K593-Q596 VanDerWaalsContact O-N 3.1Å
594	P	77.2	Confident	86.7	Confident	143 Å²	143	39.7 Å²	39.7	93%	0.929	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.6	174.9	-26.3	35.2	0	0	0	114.2	Q596	P594-Q596 VanDerWaalsContact C-N 3.29Å; P594-Q596 PolarHBondContact O-N 3.06Å
595	S	79.3	Confident	86.9	Confident	87 Å²	87	36.1 Å²	36.1	61%	0.608	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	2.3	179.6	55.2	0	0	0	0	114.7	K593 Q597	K593-S595 PolarHBondContact O-N 2.83Å; S595-Q597 PolarHBondContact O-N 2.88Å; S595-Q597 PolarHBondContact O-NE2 2.87Å
596	Q	80.9	Confident	87	Confident	24 Å²	24	35.7 Å²	35.7	11%	0.112	20%	0.197	C	C	.	.			trans	-71.4	111.6	-174.3	-170.4	174.7	-36.6	0	0	111.8	P29 P591 K593 P594 V598 I599 V629	P29-Q596 PolarHBondContact O-NE2 3.4Å; P591-Q596 HydrophobicContact CB-CB 4.17Å; K593-Q596 HydrophobicContact CB-CB 4.33Å; K593-Q596 WeakPolarHBondContact O-CB 3.5Å; K593-Q596 PolarHBondContact O-N 3.28Å; K593-Q596 VanDerWaalsContact O-N 3.1Å; P594-Q596 VanDerWaalsContact C-N 3.29Å; P594-Q596 PolarHBondContact O-N 3.06Å; Q596-V598 WeakPolarHBondContact CG-O 3.26Å; Q596-V598 PolarHBondContact NE2-O 2.83Å; Q596-I599 HydrophobicContact CB-CD1 4.28Å; Q596-I599 HydrophobicContact CG-CD1 3.9Å; Q596-V629 WeakPolarHBondContact O-CG2 3.23Å
597	Q	83.5	Confident	86.9	Confident	90 Å²	90	40.3 Å²	40.3	42%	0.421	22%	0.22	S	C	.	.	S	Bend	trans	-85.1	-15.9	-176.6	-54.8	-58.9	-63.8	0	0	114.1	S595 V629 S630	S595-Q597 PolarHBondContact O-N 2.88Å; S595-Q597 PolarHBondContact O-NE2 2.87Å; Q597-V629 VanDerWaalsContact C-CG2 3.49Å; Q597-V629 CarbonylContact O-C 3.56Å; Q597-V629 WeakPolarHBondContact O-CA 3.45Å; Q597-V629 WeakPolarHBondContact O-CG2 3.27Å; Q597-V629 PolarHBondContact O-N 3.1Å; Q597-S630 PolarHBondContact O-N 3.34Å
598	V	85.6	Confident	86.9	Confident	35 Å²	35	43 Å²	43	21%	0.212	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	122.1	178.1	-179.2	0	0	0	0	108.7	Q596 V600 R626	Q596-V598 WeakPolarHBondContact CG-O 3.26Å; Q596-V598 PolarHBondContact NE2-O 2.83Å; V598-V600 HydrophobicContact CG1-CG2 4.17Å; V598-R626 HydrophobicContact CG1-CG 3.75Å
599	I	86.3	Confident	86.8	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.3	177	-45.9	-50.4	0	0	0	107.9	I31 P591 Q596 I601 R626 L627 V629 I641	I31-I599 HydrophobicContact CG2-CG2 3.63Å; P591-I599 HydrophobicContact CB-CD1 3.73Å; P591-I599 HydrophobicContact CG-CD1 3.47Å; P591-I599 VanDerWaalsContact CG-CD1 3.47Å; P591-I599 HydrophobicContact CG-CG1 4.34Å; Q596-I599 HydrophobicContact CB-CD1 4.28Å; Q596-I599 HydrophobicContact CG-CD1 3.9Å; I599-I601 HydrophobicContact CG2-CD1 4.5Å; I599-I601 HydrophobicContact CG2-CG1 4.16Å; I599-R626 CarbonylContact O-C 3.51Å; I599-R626 WeakPolarHBondContact O-CA 3.47Å; I599-L627 HydrophobicContact CB-CB 4.35Å; I599-L627 PolarHBondContact N-O 3.32Å; I599-L627 PolarHBondContact O-N 2.98Å; I599-V629 HydrophobicContact CD1-CG2 4.13Å; I599-V629 HydrophobicContact CG1-CG1 4.32Å; I599-V629 HydrophobicContact CG1-CG2 4.05Å; I599-I641 HydrophobicContact CG1-CD1 4.24Å; I599-I641 HydrophobicContact CG1-CG1 4.28Å; I599-I641 HydrophobicContact CG2-CG1 4.42Å; I599-I641 HydrophobicContact CG2-CG2 4.49Å
600	V	87.1	Confident	86.8	Confident	23 Å²	23	53.6 Å²	53.6	14%	0.139	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.6	177.6	-171.5	0	0	0	0	107.9	P29 V598 H602 T624 L625 R626	P29-V600 HydrophobicContact CB-CG2 4.48Å; P29-V600 HydrophobicContact CG-CB 3.92Å; P29-V600 HydrophobicContact CG-CG2 3.74Å; V598-V600 HydrophobicContact CG1-CG2 4.17Å; V600-H602 WeakPolarHBondContact CG1-CE1 3.34Å; V600-T624 HydrophobicContact CG1-CG2 3.56Å; V600-L625 WeakPolarHBondContact CA-O 3.45Å; V600-R626 HydrophobicContact CG2-CG 4.46Å
601	I	89.1	Confident	87.1	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	108	180	-50.4	-179.6	0	0	0	106.9	I31 V540 I599 T624 L625 I641 T643 A656	I31-I601 HydrophobicContact CD1-CB 4.47Å; I31-I601 HydrophobicContact CD1-CD1 4.3Å; I31-I601 HydrophobicContact CD1-CG1 4.03Å; I31-I601 HydrophobicContact CD1-CG2 3.96Å; V540-I601 HydrophobicContact CB-CG2 3.92Å; V540-I601 HydrophobicContact CG1-CG2 3.72Å; V540-I601 HydrophobicContact CG2-CG2 4.4Å; I599-I601 HydrophobicContact CG2-CD1 4.5Å; I599-I601 HydrophobicContact CG2-CG1 4.16Å; I601-T624 CarbonylContact O-C 3.52Å; I601-T624 WeakPolarHBondContact O-CA 3.38Å; I601-L625 HydrophobicContact CB-CB 4.19Å; I601-L625 HydrophobicContact CB-CD1 4.44Å; I601-L625 PolarHBondContact N-O 3.15Å; I601-L625 PolarHBondContact O-N 3.19Å; I601-I641 HydrophobicContact CD1-CG2 4.12Å; I601-T643 VanDerWaalsContact CD1-OG1 3.25Å; I601-T643 WeakPolarHBondContact CD1-OG1 3.41Å; I601-A656 HydrophobicContact CD1-CB 3.94Å
602	H	90.4	Very high	87.4	Confident	45 Å²	45	54.4 Å²	54.4	21%	0.208	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	124.7	176.1	-67.7	-41.1	0	0	0	109.7	V540 G541 V600 Y604 K621 T624	V540-H602 VanDerWaalsContact CA-O 3.32Å; V540-H602 WeakPolarHBondContact CA-O 3.31Å; V540-H602 WeakPolarHBondContact CB-O 3.41Å; G541-H602 PolarHBondContact N-O 3.37Å; V600-H602 WeakPolarHBondContact CG1-CE1 3.34Å; H602-Y604 HydrophobicContact CB-CD2 4.32Å; H602-Y604 HydrophobicContact CB-CE2 3.39Å; H602-Y604 VanDerWaalsContact O-CD2 3.28Å; H602-Y604 WeakPolarHBondContact O-CD2 3.26Å; H602-Y604 VanDerWaalsContact O-CE2 3.31Å; H602-Y604 WeakPolarHBondContact O-CE2 3.39Å; H602-K621 HydrophobicContact CB-CD 4.1Å; H602-K621 HydrophobicContact CB-CG 4.32Å; H602-T624 WeakPolarHBondContact ND1-CG2 3.43Å; H602-T624 PolarHBondContact ND1-OG1 3.25Å
603	V	91.4	Very high	88.1	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	134.7	176.2	-172	0	0	0	0	108.1	V540 C622 G623 M645 I669	V540-V603 HydrophobicContact CG1-CG2 4.35Å; V603-C622 PolarHBondContact O-N 2.88Å; V603-C622 PolarHBondContact O-SG 3.44Å; V603-C622 VanDerWaalsContact O-SG 3.41Å; V603-G623 PolarHBondContact N-O 2.99Å; V603-G623 PolarHBondContact O-N 2.98Å; V603-G623 VanDerWaalsContact O-N 3.15Å; V603-M645 HydrophobicContact CB-CE 4.38Å; V603-M645 HydrophobicContact CG1-CE 3.73Å; V603-M645 HydrophobicContact CG1-SD 4.29Å; V603-M645 HydrophobicContact CG2-CE 3.82Å; V603-I669 HydrophobicContact CG1-CD1 4.14Å
604	Y	92.3	Very high	89	Confident	29 Å²	29	51 Å²	51	11%	0.114	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	155.4	-177.8	-63.5	-98.4	0	0	0	110.7	Y538 G539 H602 I614 V619 R620 K621 C622	Y538-Y604 WeakPolarHBondContact CA-O 3.44Å; G539-Y604 PolarHBondContact N-O 3.18Å; G539-Y604 VanDerWaalsContact N-O 3.07Å; G539-Y604 PolarHBondContact O-N 3.01Å; H602-Y604 HydrophobicContact CB-CD2 4.32Å; H602-Y604 HydrophobicContact CB-CE2 3.39Å; H602-Y604 VanDerWaalsContact O-CD2 3.28Å; H602-Y604 WeakPolarHBondContact O-CD2 3.26Å; H602-Y604 VanDerWaalsContact O-CE2 3.31Å; H602-Y604 WeakPolarHBondContact O-CE2 3.39Å; Y604-I614 HydrophobicContact CD1-CB 3.98Å; Y604-I614 HydrophobicContact CD1-CG2 4.03Å; Y604-I614 HydrophobicContact CD2-CB 4.37Å; Y604-I614 HydrophobicContact CD2-CG2 3.6Å; Y604-I614 HydrophobicContact CE1-CB 3.86Å; Y604-I614 HydrophobicContact CE1-CD1 4.08Å; Y604-I614 HydrophobicContact CE1-CG2 4.17Å; Y604-I614 HydrophobicContact CE2-CB 4.25Å; Y604-I614 HydrophobicContact CE2-CD1 4.05Å; Y604-I614 HydrophobicContact CE2-CG2 3.74Å; Y604-I614 HydrophobicContact CG-CB 4.25Å; Y604-I614 HydrophobicContact CG-CG2 3.77Å; Y604-I614 WeakPolarHBondContact OH-CD1 3.5Å; Y604-V619 HydrophobicContact CD1-CG1 4.08Å; Y604-V619 HydrophobicContact CG-CG1 4.35Å; Y604-R620 CarbonylContact C-O 3.47Å; Y604-R620 VanDerWaalsContact CA-O 3.26Å; Y604-R620 WeakPolarHBondContact CA-O 3.41Å; Y604-K621 HydrophobicContact CD1-CB 4.02Å; Y604-K621 HydrophobicContact CD1-CG 4.45Å; Y604-K621 HydrophobicContact CE1-CB 3.79Å; Y604-K621 HydrophobicContact CE1-CG 4.12Å; Y604-C622 VanDerWaalsContact C-SG 3.56Å
605	C	92.1	Very high	89.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	158	170.4	63.1	0	0	0	0	113.3	L536 T537 Y538 V619 R620	L536-C605 HydrophobicContact CB-CB 4.32Å; L536-C605 HydrophobicContact CD1-CB 4.06Å; T537-C605 CarbonylContact O-C 3.58Å; T537-C605 WeakPolarHBondContact O-CA 3.44Å; T537-C605 WeakPolarHBondContact O-CB 3.35Å; Y538-C605 HydrophobicContact CD1-CB 3.58Å; Y538-C605 HydrophobicContact CE1-CB 3.61Å; Y538-C605 HydrophobicContact CG-CB 4.28Å; C605-V619 WeakPolarHBondContact O-CA 3.47Å; C605-R620 PolarHBondContact N-O 3.21Å; C605-R620 PolarHBondContact O-N 3.48Å; C605-R620 VanDerWaalsContact SG-CZ 3.53Å; C605-R620 PolarHBondContact SG-NH2 3.42Å; C605-R620 VanDerWaalsContact SG-NH2 3.43Å
606	S	92.5	Very high	90.4	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.4	-179.2	-174.7	0	0	0	0	110.8	L536 T537 K608	L536-S606 WeakPolarHBondContact CA-O 3.32Å; L536-S606 WeakPolarHBondContact CB-O 3.4Å; T537-S606 PolarHBondContact N-O 3.1Å; T537-S606 PolarHBondContact O-N 2.95Å; S606-K608 VanDerWaalsContact C-N 3.31Å; S606-K608 PolarHBondContact OG-N 3.05Å
607	E	90.1	Very high	91	Very high	149 Å²	149	49.8 Å²	49.8	70%	0.696	27%	0.273	S	S	*	.	S	Bend	trans	-78.5	-16.6	170.2	-71.9	173.9	-174.3	0	0	112.4	L536	L536-E607 HydrophobicContact CD2-CB 4.2Å; L536-E607 HydrophobicContact CD2-CG 3.41Å; L536-E607 VanDerWaalsContact CD2-CG 3.41Å
608	K	92.1	Very high	91.2	Very high	95 Å²	95	48.2 Å²	48.2	41%	0.413	28%	0.281	S	S	.	.	S	Bend	trans	-78.9	139.6	174.5	-61.6	169.9	177.3	162.7	0	110.5	T537 S606 S610 P617	T537-K608 VanDerWaalsContact CB-O 3.3Å; T537-K608 WeakPolarHBondContact CB-O 3.25Å; T537-K608 PolarHBondContact OG1-O 2.87Å; S606-K608 VanDerWaalsContact C-N 3.31Å; S606-K608 PolarHBondContact OG-N 3.05Å; K608-S610 VanDerWaalsContact CB-O 3.29Å; K608-S610 WeakPolarHBondContact CB-O 3.2Å; K608-S610 PolarHBondContact O-N 2.81Å; K608-P617 PolarHBondContact NZ-O 3.42Å
609	E	91.3	Very high	91.6	Very high	143 Å²	143	47.5 Å²	47.5	67%	0.668	28%	0.276	S	S	*	.	S	Bend	trans	-55.9	-34.7	174	-173.9	-175.7	178.4	0	0	113	T537 A574	T537-E609 WeakPolarHBondContact OG1-CA 3.13Å; T537-E609 PolarHBondContact OG1-O 2.88Å; T537-E609 VanDerWaalsContact OG1-O 3.1Å; A574-E609 HydrophobicContact CB-CG 4.27Å
610	S	91.4	Very high	91.8	Very high	91 Å²	91	51.3 Å²	51.3	64%	0.636	29%	0.291	S	S	*	.			trans	-124.1	146.3	174.3	54.7	0	0	0	0	112.2	K608	K608-S610 VanDerWaalsContact CB-O 3.29Å; K608-S610 WeakPolarHBondContact CB-O 3.2Å; K608-S610 PolarHBondContact O-N 2.81Å
611	A	92.8	Very high	91.9	Very high	12 Å²	12	54.9 Å²	54.9	10%	0.099	30%	0.304	C	S	.	.			trans	-144.6	134.3	168.5	0	0	0	0	0	107.3	F569 V619	F569-A611 HydrophobicContact CB-CB 4.48Å; F569-A611 HydrophobicContact CD1-CB 4.26Å; F569-A611 HydrophobicContact CD2-CB 4.17Å; F569-A611 HydrophobicContact CE2-CB 4.48Å; F569-A611 HydrophobicContact CG-CB 4.07Å; A611-V619 HydrophobicContact CB-CG2 3.91Å
612	G	92.6	Very high	91.7	Very high	34 Å²	34	54.9 Å²	54.9	35%	0.351	31%	0.305	S	S	.	.	S	Bend	trans	-94.5	-31.5	175.2	0	0	0	0	0	112.8	F569 E616	F569-G612 PolarHBondContact N-O 3.21Å; G612-E616 WeakPolarHBondContact CA-OE1 3.48Å; G612-E616 PolarHBondContact N-OE1 3.1Å
613	F	95	Very high	91.3	Very high	33 Å²	33	52.9 Å²	52.9	15%	0.145	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-134.4	144.4	-176.9	-57.3	-85.8	0	0	0	113.8	P552 K555 D567 V568 S615 E616	P552-F613 VanDerWaalsContact CD-CZ 3.45Å; P552-F613 HydrophobicContact CG-CE2 4.06Å; P552-F613 HydrophobicContact CG-CZ 4.07Å; K555-F613 HydrophobicContact CB-CE1 4.37Å; K555-F613 HydrophobicContact CD-CD1 4.34Å; K555-F613 HydrophobicContact CG-CD1 4.13Å; K555-F613 HydrophobicContact CG-CE1 3.83Å; K555-F613 HydrophobicContact CG-CZ 4.36Å; D567-F613 HydrophobicContact CB-CD1 4.49Å; D567-F613 CarbonylContact O-C 3.52Å; D567-F613 WeakPolarHBondContact O-CA 3.41Å; D567-F613 WeakPolarHBondContact O-CB 3.2Å; V568-F613 HydrophobicContact CG2-CD1 4.49Å; V568-F613 HydrophobicContact CG2-CE1 4.18Å; F613-S615 PolarHBondContact O-N 3.28Å; F613-S615 VanDerWaalsContact O-N 3.17Å; F613-E616 HydrophobicContact CB-CG 4.29Å; F613-E616 PolarHBondContact N-OE1 3.06Å; F613-E616 WeakPolarHBondContact O-CB 3.3Å; F613-E616 PolarHBondContact O-N 3.14Å; F613-E616 VanDerWaalsContact O-N 3.13Å
614	I	95.2	Very high	91	Very high	30 Å²	30	55.3 Å²	55.3	15%	0.154	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-13.7	175.1	62	162.1	0	0	0	113.5	D567 F569 Y604	D567-I614 HydrophobicContact CB-CD1 4.3Å; D567-I614 HydrophobicContact CB-CG1 3.63Å; D567-I614 WeakPolarHBondContact O-CG1 3.4Å; D567-I614 PolarHBondContact O-N 3.13Å; F569-I614 HydrophobicContact CB-CG2 4.27Å; F569-I614 HydrophobicContact CD2-CG2 3.92Å; F569-I614 HydrophobicContact CG-CG2 4.5Å; Y604-I614 HydrophobicContact CD1-CB 3.98Å; Y604-I614 HydrophobicContact CD1-CG2 4.03Å; Y604-I614 HydrophobicContact CD2-CB 4.37Å; Y604-I614 HydrophobicContact CD2-CG2 3.6Å; Y604-I614 HydrophobicContact CE1-CB 3.86Å; Y604-I614 HydrophobicContact CE1-CD1 4.08Å; Y604-I614 HydrophobicContact CE1-CG2 4.17Å; Y604-I614 HydrophobicContact CE2-CB 4.25Å; Y604-I614 HydrophobicContact CE2-CD1 4.05Å; Y604-I614 HydrophobicContact CE2-CG2 3.74Å; Y604-I614 HydrophobicContact CG-CB 4.25Å; Y604-I614 HydrophobicContact CG-CG2 3.77Å; Y604-I614 WeakPolarHBondContact OH-CD1 3.5Å
615	S	93.7	Very high	90.7	Very high	68 Å²	68	54 Å²	54	48%	0.476	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	2.1	175.9	68	0	0	0	0	113.8	K555 F613	K555-S615 PolarHBondContact NZ-OG 3.43Å; F613-S615 PolarHBondContact O-N 3.28Å; F613-S615 VanDerWaalsContact O-N 3.17Å
616	E	94.2	Very high	90.5	Very high	53 Å²	53	62 Å²	62	25%	0.248	34%	0.336	C	S	.	.	S	Bend	trans	-72	144.7	-179.7	-80.6	178.5	-133.8	0	0	112.7	G612 F613 G618 V619	G612-E616 WeakPolarHBondContact CA-OE1 3.48Å; G612-E616 PolarHBondContact N-OE1 3.1Å; F613-E616 HydrophobicContact CB-CG 4.29Å; F613-E616 PolarHBondContact N-OE1 3.06Å; F613-E616 WeakPolarHBondContact O-CB 3.3Å; F613-E616 PolarHBondContact O-N 3.14Å; F613-E616 VanDerWaalsContact O-N 3.13Å; E616-G618 PolarHBondContact O-N 3.06Å; E616-V619 HydrophobicContact CB-CG2 3.89Å; E616-V619 PolarHBondContact O-N 2.96Å
617	P	92.1	Very high	90.1	Very high	109 Å²	109	62.2 Å²	62.2	71%	0.708	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	124.5	171.2	-24.7	34.3	0	0	0	111.7	K608	K608-P617 PolarHBondContact NZ-O 3.42Å
618	G	88.9	Confident	89.9	Confident	57 Å²	57	58.8 Å²	58.8	59%	0.588	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.2	-14.1	-177.1	0	0	0	0	0	114.7	E616	E616-G618 PolarHBondContact O-N 3.06Å
619	V	93.2	Very high	89.4	Confident	20 Å²	20	54.2 Å²	54.2	12%	0.121	30%	0.304	C	S	.	.			trans	-83	131.4	172.3	-174.2	0	0	0	0	109.7	F569 Y604 C605 A611 E616	F569-V619 HydrophobicContact CD2-CG1 3.86Å; F569-V619 HydrophobicContact CE2-CG1 3.75Å; Y604-V619 HydrophobicContact CD1-CG1 4.08Å; Y604-V619 HydrophobicContact CG-CG1 4.35Å; C605-V619 WeakPolarHBondContact O-CA 3.47Å; A611-V619 HydrophobicContact CB-CG2 3.91Å; E616-V619 HydrophobicContact CB-CG2 3.89Å; E616-V619 PolarHBondContact O-N 2.96Å
620	R	90.3	Very high	88.9	Confident	80 Å²	80	49.9 Å²	49.9	30%	0.302	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.4	178.2	65.1	-173.8	-179.1	92.9	6.5	111.6	Y604 C605 C622	Y604-R620 CarbonylContact C-O 3.47Å; Y604-R620 VanDerWaalsContact CA-O 3.26Å; Y604-R620 WeakPolarHBondContact CA-O 3.41Å; C605-R620 PolarHBondContact N-O 3.21Å; C605-R620 PolarHBondContact O-N 3.48Å; C605-R620 VanDerWaalsContact SG-CZ 3.53Å; C605-R620 PolarHBondContact SG-NH2 3.42Å; C605-R620 VanDerWaalsContact SG-NH2 3.43Å; R620-C622 PolarHBondContact O-N 3.38Å
621	K	88.9	Confident	88.2	Confident	99 Å²	99	49.4 Å²	49.4	43%	0.43	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.9	169.3	-162.1	-176.9	93.3	175.3	0	108.6	H602 Y604 T624	H602-K621 HydrophobicContact CB-CD 4.1Å; H602-K621 HydrophobicContact CB-CG 4.32Å; Y604-K621 HydrophobicContact CD1-CB 4.02Å; Y604-K621 HydrophobicContact CD1-CG 4.45Å; Y604-K621 HydrophobicContact CE1-CB 3.79Å; Y604-K621 HydrophobicContact CE1-CG 4.12Å; K621-T624 PolarHBondContact NZ-OG1 3.37Å
622	C	85	Confident	87.3	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.014	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	-14.5	-179.9	60.4	0	0	0	0	113.7	V603 Y604 R620 I669 D670 F671	V603-C622 PolarHBondContact O-N 2.88Å; V603-C622 PolarHBondContact O-SG 3.44Å; V603-C622 VanDerWaalsContact O-SG 3.41Å; Y604-C622 VanDerWaalsContact C-SG 3.56Å; R620-C622 PolarHBondContact O-N 3.38Å; C622-I669 VanDerWaalsContact C-CG2 3.5Å; C622-I669 HydrophobicContact CB-CG2 4.14Å; C622-I669 WeakPolarHBondContact O-CG2 3.28Å; C622-D670 CarbonylContact O-C 3.6Å; C622-D670 PolarHBondContact O-N 3.48Å; C622-F671 HydrophobicContact CB-CD1 3.62Å; C622-F671 HydrophobicContact CB-CE1 3.58Å
623	G	82.9	Confident	86.1	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.031	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	172.4	176.9	0	0	0	0	0	113.1	V603	V603-G623 PolarHBondContact N-O 2.99Å; V603-G623 PolarHBondContact O-N 2.98Å; V603-G623 VanDerWaalsContact O-N 3.15Å
624	T	85.6	Confident	84.8	Confident	51 Å²	51	57.6 Å²	57.6	31%	0.313	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	122.5	173.8	-64.1	0	0	0	0	110.2	V600 I601 H602 K621	V600-T624 HydrophobicContact CG1-CG2 3.56Å; I601-T624 CarbonylContact O-C 3.52Å; I601-T624 WeakPolarHBondContact O-CA 3.38Å; H602-T624 WeakPolarHBondContact ND1-CG2 3.43Å; H602-T624 PolarHBondContact ND1-OG1 3.25Å; K621-T624 PolarHBondContact NZ-OG1 3.37Å
625	L	85.8	Confident	83.4	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.7	167	-59.5	158.5	0	0	0	107.7	V600 I601 T643 A654 A656 V665 A667	V600-L625 WeakPolarHBondContact CA-O 3.45Å; I601-L625 HydrophobicContact CB-CB 4.19Å; I601-L625 HydrophobicContact CB-CD1 4.44Å; I601-L625 PolarHBondContact N-O 3.15Å; I601-L625 PolarHBondContact O-N 3.19Å; L625-T643 HydrophobicContact CD1-CG2 3.92Å; L625-A654 HydrophobicContact CD1-CB 4.19Å; L625-A654 HydrophobicContact CD2-CB 4.11Å; L625-A654 HydrophobicContact CG-CB 4.43Å; L625-A656 HydrophobicContact CB-CB 4.32Å; L625-A656 HydrophobicContact CD1-CB 4.1Å; L625-V665 HydrophobicContact CB-CG1 4.36Å; L625-A667 HydrophobicContact CD2-CB 3.58Å
626	R	87	Confident	82.2	Confident	168 Å²	168	61.2 Å²	61.2	63%	0.634	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	101.6	177.4	-178.3	174.8	176.6	139.4	0.1	109.3	V598 I599 V600	V598-R626 HydrophobicContact CG1-CG 3.75Å; I599-R626 CarbonylContact O-C 3.51Å; I599-R626 WeakPolarHBondContact O-CA 3.47Å; V600-R626 HydrophobicContact CG2-CG 4.46Å
627	L	84.8	Confident	81.1	Confident	7 Å²	7	65.5 Å²	65.5	4%	0.037	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.6	-178.5	-175.1	64.3	0	0	0	109.5	I599 V629 I641 D658 V665	I599-L627 HydrophobicContact CB-CB 4.35Å; I599-L627 PolarHBondContact N-O 3.32Å; I599-L627 PolarHBondContact O-N 2.98Å; L627-V629 HydrophobicContact CD2-CG1 3.99Å; L627-V629 HydrophobicContact CG-CG1 3.85Å; L627-I641 HydrophobicContact CD2-CD1 4.24Å; L627-I641 HydrophobicContact CD2-CG2 4.27Å; L627-D658 HydrophobicContact CD2-CB 3.92Å; L627-V665 HydrophobicContact CB-CG1 3.76Å; L627-V665 HydrophobicContact CD1-CB 3.89Å; L627-V665 HydrophobicContact CD1-CG1 3.85Å; L627-V665 HydrophobicContact CG-CG1 4.35Å
628	D	84.4	Confident	80.5	Confident	77 Å²	77	68.2 Å²	68.2	41%	0.412	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	113.6	173.6	-161	-48	0	0	0	110.4	S630 R663	D628-S630 WeakPolarHBondContact OD1-CB 3.44Å; D628-S630 PolarHBondContact OD1-N 3.49Å; D628-S630 PolarHBondContact OD1-OG 2.71Å; D628-R663 PolarHBondContact O-NH1 3.16Å; D628-R663 VanDerWaalsContact O-NH1 3.16Å
629	V	82.6	Confident	80.3	Confident	0 Å²	0	67 Å²	67	0%	0	37%	0.369	C	S	.	.			trans	-111.7	22	-179.4	-60.9	0	0	0	0	111.7	Q596 Q597 I599 L627 T632 D658	Q596-V629 WeakPolarHBondContact O-CG2 3.23Å; Q597-V629 VanDerWaalsContact C-CG2 3.49Å; Q597-V629 CarbonylContact O-C 3.56Å; Q597-V629 WeakPolarHBondContact O-CA 3.45Å; Q597-V629 WeakPolarHBondContact O-CG2 3.27Å; Q597-V629 PolarHBondContact O-N 3.1Å; I599-V629 HydrophobicContact CD1-CG2 4.13Å; I599-V629 HydrophobicContact CG1-CG1 4.32Å; I599-V629 HydrophobicContact CG1-CG2 4.05Å; L627-V629 HydrophobicContact CD2-CG1 3.99Å; L627-V629 HydrophobicContact CG-CG1 3.85Å; V629-T632 PolarHBondContact O-OG1 3.42Å; V629-D658 HydrophobicContact CG1-CB 4.34Å
630	S	81.6	Confident	80.2	Confident	52 Å²	52	68.8 Å²	68.8	36%	0.364	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	143.4	173.3	62	0	0	0	0	112.4	Q597 D628 T632 R663	Q597-S630 PolarHBondContact O-N 3.34Å; D628-S630 WeakPolarHBondContact OD1-CB 3.44Å; D628-S630 PolarHBondContact OD1-N 3.49Å; D628-S630 PolarHBondContact OD1-OG 2.71Å; S630-T632 VanDerWaalsContact C-N 3.31Å; S630-T632 PolarHBondContact O-N 3.03Å; S630-R663 PolarHBondContact O-NH1 2.85Å
631	G	75.6	Confident	80.2	Confident	80 Å²	80	65 Å²	65	83%	0.825	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	26.7	177.4	0	0	0	0	0	114.6
632	T	73.4	Confident	80.4	Confident	28 Å²	28	61.8 Å²	61.8	17%	0.172	35%	0.348	C	S	.	.			trans	-128.9	134.8	-179.3	55.9	0	0	0	0	111.8	V629 S630 R639 T661	V629-T632 PolarHBondContact O-OG1 3.42Å; S630-T632 VanDerWaalsContact C-N 3.31Å; S630-T632 PolarHBondContact O-N 3.03Å; T632-R639 PolarHBondContact O-NH1 3.41Å; T632-R639 PolarHBondContact OG1-NH1 3.46Å; T632-R639 VanDerWaalsContact OG1-NH1 3.15Å; T632-R639 PolarHBondContact OG1-NH2 3.03Å; T632-T661 HydrophobicContact CG2-CG2 3.87Å
633	E	67.7	Low	80.7	Confident	185 Å²	185	61.7 Å²	61.7	86%	0.864	35%	0.347	S	S	*	.			trans	-98.8	142.9	177.1	-60.9	-172.4	167	0	0	110.8
634	S	67.4	Low	81.1	Confident	38 Å²	38	62.6 Å²	62.6	27%	0.266	35%	0.351	S	S	.	.			trans	-108.9	117.4	172.7	165.9	0	0	0	0	108.2	A636	S634-A636 PolarHBondContact O-N 2.91Å; S634-A636 PolarHBondContact OG-N 3.44Å; S634-A636 PolarHBondContact OG-O 2.85Å; S634-A636 VanDerWaalsContact OG-O 3.07Å
635	S	66.5	Low	81.4	Confident	129 Å²	129	60.1 Å²	60.1	90%	0.902	34%	0.336	S	S	*	.	S	Bend	trans	-69.6	-18.5	171.6	55	0	0	0	0	113
636	A	68.1	Low	81.5	Confident	45 Å²	45	63 Å²	63	37%	0.372	35%	0.349	S	S	.	.	S	Bend	trans	-79.3	141.4	176.7	0	0	0	0	0	111.7	S634 R638	S634-A636 PolarHBondContact O-N 2.91Å; S634-A636 PolarHBondContact OG-N 3.44Å; S634-A636 PolarHBondContact OG-O 2.85Å; S634-A636 VanDerWaalsContact OG-O 3.07Å; A636-R638 WeakPolarHBondContact CB-O 3.47Å; A636-R638 PolarHBondContact O-N 3.03Å; A636-R638 VanDerWaalsContact O-N 3.13Å
637	P	70.9	Confident	81.5	Confident	143 Å²	143	55.1 Å²	55.1	93%	0.929	32%	0.32	S	S	*	.	S	Bend	trans	-66.7	-14.4	-178.7	27.7	-36.1	0	0	0	113.9
638	R	79.1	Confident	81.2	Confident	166 Å²	166	55.2 Å²	55.2	63%	0.626	32%	0.323	S	S	*	.	S	Bend	trans	-133.9	132.2	162.3	-68.7	-175.7	-177.3	165.6	4.7	108	A636 E640	A636-R638 WeakPolarHBondContact CB-O 3.47Å; A636-R638 PolarHBondContact O-N 3.03Å; A636-R638 VanDerWaalsContact O-N 3.13Å; R638-E640 PolarHBondContact O-N 2.92Å
639	R	86.4	Confident	81	Confident	33 Å²	33	54 Å²	54	13%	0.125	32%	0.316	C	S	.	.			trans	-74.3	116.4	176.5	-172.7	177.3	-163.5	144.2	12.1	109.6	T590 P591 T632 I641 D658	T590-R639 WeakPolarHBondContact CA-O 3.45Å; T590-R639 WeakPolarHBondContact CB-O 3.31Å; T590-R639 PolarHBondContact OG1-O 3.38Å; P591-R639 VanDerWaalsContact CD-O 3.25Å; P591-R639 WeakPolarHBondContact CD-O 3.06Å; T632-R639 PolarHBondContact O-NH1 3.41Å; T632-R639 PolarHBondContact OG1-NH1 3.46Å; T632-R639 VanDerWaalsContact OG1-NH1 3.15Å; T632-R639 PolarHBondContact OG1-NH2 3.03Å; R639-I641 HydrophobicContact CG-CD1 4.21Å; R639-D658 WeakPolarHBondContact CG-OD1 3.23Å; R639-D658 IonicContact CZ-OD1 3.55Å; R639-D658 IonicContact CZ-OD2 3.6Å; R639-D658 IonicContact NE-OD1 3.55Å; R639-D658 PolarHBondContact NE-OD1 3.23Å; R639-D658 IonicContact NE-OD2 3.36Å; R639-D658 IonicContact NH2-OD1 3.42Å; R639-D658 PolarHBondContact NH2-OD1 3.22Å; R639-D658 IonicContact NH2-OD2 2.7Å; R639-D658 PolarHBondContact NH2-OD2 3.11Å
640	E	90.6	Very high	80.8	Confident	57 Å²	57	54.4 Å²	54.4	27%	0.266	32%	0.318	S	S	.	.			trans	-88	123.2	179	-173.8	-175	169.7	0	0	111.2	L34 S588 Y589 R638 Q642 V659	L34-E640 HydrophobicContact CD1-CB 4.39Å; L34-E640 HydrophobicContact CD1-CG 3.99Å; S588-E640 VanDerWaalsContact CB-OE1 3.25Å; S588-E640 WeakPolarHBondContact CB-OE1 3.42Å; S588-E640 PolarHBondContact OG-OE1 3.06Å; Y589-E640 WeakPolarHBondContact O-CA 3.43Å; R638-E640 PolarHBondContact O-N 2.92Å; E640-Q642 HydrophobicContact CG-CG 4.17Å; E640-Q642 WeakPolarHBondContact OE1-CG 3.44Å; E640-Q642 PolarHBondContact OE1-NE2 2.78Å; E640-V659 HydrophobicContact CB-CB 4.13Å; E640-V659 HydrophobicContact CB-CG2 3.99Å; E640-V659 HydrophobicContact CG-CB 4.49Å; E640-V659 HydrophobicContact CG-CG2 3.82Å; E640-V659 WeakPolarHBondContact O-CG2 3.22Å; E640-V659 PolarHBondContact O-N 2.9Å
641	I	90.5	Very high	80.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	108.4	170.7	-50.1	-58.3	0	0	0	107.8	Y589 P591 I599 I601 L627 R639 A656 I657 D658	Y589-I641 PolarHBondContact N-O 3.3Å; Y589-I641 PolarHBondContact O-N 3.16Å; P591-I641 HydrophobicContact CG-CG1 4.28Å; I599-I641 HydrophobicContact CG1-CD1 4.24Å; I599-I641 HydrophobicContact CG1-CG1 4.28Å; I599-I641 HydrophobicContact CG2-CG1 4.42Å; I599-I641 HydrophobicContact CG2-CG2 4.49Å; I601-I641 HydrophobicContact CD1-CG2 4.12Å; L627-I641 HydrophobicContact CD2-CD1 4.24Å; L627-I641 HydrophobicContact CD2-CG2 4.27Å; R639-I641 HydrophobicContact CG-CD1 4.21Å; I641-A656 HydrophobicContact CG2-CB 4.31Å; I641-I657 CarbonylContact C-O 3.42Å; I641-I657 WeakPolarHBondContact CA-O 3.11Å; I641-D658 HydrophobicContact CD1-CB 3.96Å
642	Q	92.3	Very high	81.3	Confident	31 Å²	31	50.7 Å²	50.7	15%	0.145	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.2	175.7	-73.4	174.5	9	0	0	109.5	K586 E640 L644 A656 I657 V659	K586-Q642 VanDerWaalsContact CE-OE1 3.27Å; E640-Q642 HydrophobicContact CG-CG 4.17Å; E640-Q642 WeakPolarHBondContact OE1-CG 3.44Å; E640-Q642 PolarHBondContact OE1-NE2 2.78Å; Q642-L644 HydrophobicContact CB-CD1 4.08Å; Q642-A656 CarbonylContact O-C 3.24Å; Q642-A656 VanDerWaalsContact O-CA 3.32Å; Q642-A656 WeakPolarHBondContact O-CA 3.5Å; Q642-I657 HydrophobicContact CB-CB 4.42Å; Q642-I657 PolarHBondContact N-O 2.84Å; Q642-I657 PolarHBondContact O-N 2.93Å; Q642-V659 HydrophobicContact CB-CG2 4.22Å; Q642-V659 HydrophobicContact CG-CG2 3.5Å; Q642-V659 VanDerWaalsContact CG-CG2 3.5Å
643	T	91.6	Very high	81.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.1	170.2	-53.5	0	0	0	0	108.8	F572 K586 R587 Y589 I601 L625 M645 M655	F572-T643 HydrophobicContact CE1-CG2 4.14Å; F572-T643 HydrophobicContact CZ-CG2 3.76Å; K586-T643 WeakPolarHBondContact CA-O 3.42Å; R587-T643 PolarHBondContact N-O 2.87Å; R587-T643 PolarHBondContact O-N 3.06Å; Y589-T643 WeakPolarHBondContact CD2-OG1 3.47Å; Y589-T643 WeakPolarHBondContact CE2-OG1 3.42Å; I601-T643 VanDerWaalsContact CD1-OG1 3.25Å; I601-T643 WeakPolarHBondContact CD1-OG1 3.41Å; L625-T643 HydrophobicContact CD1-CG2 3.92Å; T643-M645 HydrophobicContact CG2-CE 4.27Å; T643-M655 CarbonylContact C-O 3.51Å; T643-M655 WeakPolarHBondContact CA-O 3.34Å
644	L	91.8	Very high	82.8	Confident	22 Å²	22	44.9 Å²	44.9	12%	0.115	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128	-179.1	-55.6	92.3	0	0	0	107.8	M584 V585 K586 Q642 A654 M655 I657	M584-L644 HydrophobicContact CG-CB 4.17Å; M584-L644 HydrophobicContact CG-CD2 4.42Å; M584-L644 HydrophobicContact SD-CB 3.95Å; M584-L644 HydrophobicContact SD-CD2 3.49Å; M584-L644 WeakPolarHBondContact SD-CD2 3.49Å; M584-L644 HydrophobicContact SD-CG 4.34Å; V585-L644 WeakPolarHBondContact O-CA 3.48Å; K586-L644 HydrophobicContact CB-CG 4.47Å; K586-L644 HydrophobicContact CD-CD2 4.44Å; K586-L644 HydrophobicContact CG-CG 4.36Å; Q642-L644 HydrophobicContact CB-CD1 4.08Å; L644-A654 WeakPolarHBondContact O-CA 3.32Å; L644-M655 HydrophobicContact CD1-CE 4.35Å; L644-M655 PolarHBondContact N-O 3.38Å; L644-M655 PolarHBondContact O-N 3.12Å; L644-I657 HydrophobicContact CD1-CD1 3.67Å; L644-I657 HydrophobicContact CD1-CG1 3.79Å
645	M	90.8	Very high	83.8	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.3	171.3	-63.4	-173.6	-168.7	0	0	108.9	V540 F572 M584 V585 V603 T643 F647 R653 A654	V540-M645 HydrophobicContact CG1-CE 3.37Å; F572-M645 HydrophobicContact CB-SD 4.26Å; F572-M645 HydrophobicContact CD1-CB 3.85Å; F572-M645 HydrophobicContact CD1-CE 4.29Å; F572-M645 HydrophobicContact CD1-CG 3.71Å; F572-M645 HydrophobicContact CD1-SD 3.79Å; F572-M645 HydrophobicContact CD2-CE 4.22Å; F572-M645 HydrophobicContact CD2-SD 4.33Å; F572-M645 HydrophobicContact CE1-CB 4.28Å; F572-M645 HydrophobicContact CE1-CE 4.16Å; F572-M645 HydrophobicContact CE1-CG 3.81Å; F572-M645 HydrophobicContact CE1-SD 4.18Å; F572-M645 HydrophobicContact CE2-CE 4.07Å; F572-M645 HydrophobicContact CG-CE 4.33Å; F572-M645 HydrophobicContact CG-CG 4.41Å; F572-M645 HydrophobicContact CG-SD 3.88Å; F572-M645 HydrophobicContact CZ-CE 4.04Å; M584-M645 CarbonylContact C-O 3.59Å; M584-M645 WeakPolarHBondContact CA-O 3.4Å; V585-M645 PolarHBondContact N-O 3.13Å; V585-M645 PolarHBondContact O-N 2.8Å; V603-M645 HydrophobicContact CB-CE 4.38Å; V603-M645 HydrophobicContact CG1-CE 3.73Å; V603-M645 HydrophobicContact CG1-SD 4.29Å; V603-M645 HydrophobicContact CG2-CE 3.82Å; T643-M645 HydrophobicContact CG2-CE 4.27Å; M645-F647 HydrophobicContact CB-CD2 4.28Å; M645-F647 HydrophobicContact CB-CE2 3.44Å; M645-F647 VanDerWaalsContact CB-CE2 3.44Å; M645-F647 HydrophobicContact CB-CZ 3.59Å; M645-F647 HydrophobicContact CG-CZ 4.45Å; M645-F647 WeakPolarHBondContact O-CD2 3.33Å; M645-F647 HydrophobicContact SD-CZ 4.08Å; M645-R653 WeakPolarHBondContact CA-O 3.35Å; M645-A654 HydrophobicContact CG-CB 4.26Å
646	Q	88.8	Confident	84.9	Confident	61 Å²	61	38.9 Å²	38.9	29%	0.285	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.8	176.8	-168.8	179.6	23.7	0	0	109.4	E583 R653	E583-Q646 WeakPolarHBondContact O-CA 3.5Å; Q646-R653 HydrophobicContact CB-CB 4.32Å; Q646-R653 PolarHBondContact N-O 3.44Å; Q646-R653 PolarHBondContact O-N 2.81Å
647	F	86.3	Confident	86	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.018	19%	0.187	C	C	.	.			trans	-126.5	-175.8	-175.9	-57.5	-89	0	0	0	110.8	Y538 F572 I573 V579 G582 E583 V585 M645 D649 I652	Y538-F647 HydrophobicContact CD2-CE1 4.06Å; Y538-F647 HydrophobicContact CG-CE1 4.23Å; F572-F647 HydrophobicContact CB-CE2 4.31Å; F572-F647 HydrophobicContact CB-CZ 4.14Å; I573-F647 HydrophobicContact CB-CE1 4.21Å; I573-F647 HydrophobicContact CB-CE2 4.23Å; I573-F647 HydrophobicContact CB-CZ 3.99Å; I573-F647 HydrophobicContact CD1-CD2 4.37Å; I573-F647 HydrophobicContact CG2-CD1 4.14Å; I573-F647 HydrophobicContact CG2-CE1 3.6Å; I573-F647 HydrophobicContact CG2-CE2 4.49Å; I573-F647 HydrophobicContact CG2-CZ 3.8Å; V579-F647 HydrophobicContact CG1-CB 3.5Å; V579-F647 VanDerWaalsContact CG1-CB 3.5Å; G582-F647 WeakPolarHBondContact CA-O 3.41Å; G582-F647 PolarHBondContact N-O 3.37Å; E583-F647 PolarHBondContact O-N 3.17Å; V585-F647 HydrophobicContact CB-CE2 4.15Å; V585-F647 HydrophobicContact CG2-CD2 4.25Å; V585-F647 HydrophobicContact CG2-CE2 4.01Å; M645-F647 HydrophobicContact CB-CD2 4.28Å; M645-F647 HydrophobicContact CB-CE2 3.44Å; M645-F647 VanDerWaalsContact CB-CE2 3.44Å; M645-F647 HydrophobicContact CB-CZ 3.59Å; M645-F647 HydrophobicContact CG-CZ 4.45Å; M645-F647 WeakPolarHBondContact O-CD2 3.33Å; M645-F647 HydrophobicContact SD-CZ 4.08Å; F647-D649 PolarHBondContact O-N 2.85Å; F647-I652 HydrophobicContact CD1-CD1 3.95Å; F647-I652 HydrophobicContact CD1-CG1 3.89Å; F647-I652 HydrophobicContact CD1-CG2 3.87Å; F647-I652 HydrophobicContact CE1-CD1 3.99Å; F647-I652 HydrophobicContact CE1-CG1 4.28Å; F647-I652 HydrophobicContact CE1-CG2 3.74Å; F647-I652 HydrophobicContact CZ-CG2 4.46Å
648	G	77.8	Confident	86.8	Confident	9 Å²	9	31.5 Å²	31.5	9%	0.093	14%	0.143	C	C	.	.	S	Bend	trans	82.6	-24.2	-179.2	0	0	0	0	0	115.1	R532	R532-G648 WeakPolarHBondContact CD-O 3.45Å; R532-G648 PolarHBondContact NH1-O 3.02Å
649	D	81.5	Confident	87.2	Confident	50 Å²	50	26.6 Å²	26.6	27%	0.267	13%	0.131	S	C	.	.	S	Bend	trans	-73.1	173.9	166	-165.9	1.1	0	0	0	110.8	R532 F647 E651 R653	R532-D649 PolarHBondContact NH1-O 3.19Å; R532-D649 VanDerWaalsContact NH1-O 3.11Å; F647-D649 PolarHBondContact O-N 2.85Å; D649-E651 PolarHBondContact O-N 2.83Å; D649-R653 IonicContact OD2-CZ 3.86Å; D649-R653 IonicContact OD2-NE 3.32Å; D649-R653 PolarHBondContact OD2-NE 3Å; D649-R653 IonicContact OD2-NH2 2.71Å; D649-R653 PolarHBondContact OD2-NH2 3.22Å
650	T	78.9	Confident	87	Confident	9 Å²	9	27.2 Å²	27.2	6%	0.055	14%	0.141	C	C	.	.	S	Bend	trans	-72.9	-21.5	-179.9	-57.6	0	0	0	0	112	K210 I233 L235 R532	K210-T650 HydrophobicContact CD-CG2 4.4Å; I233-T650 HydrophobicContact CB-CG2 3.99Å; I233-T650 HydrophobicContact CG2-CG2 3.83Å; I233-T650 WeakPolarHBondContact O-CB 3.43Å; I233-T650 VanDerWaalsContact O-CG2 3.26Å; I233-T650 WeakPolarHBondContact O-CG2 3.43Å; I233-T650 PolarHBondContact O-OG1 2.88Å; L235-T650 HydrophobicContact CD2-CG2 3.7Å; L235-T650 HydrophobicContact CG-CG2 4.27Å; R532-T650 PolarHBondContact NH1-OG1 3.29Å; R532-T650 VanDerWaalsContact NH1-OG1 3.07Å; R532-T650 PolarHBondContact NH2-OG1 3.2Å
651	E	83	Confident	86.7	Confident	34 Å²	34	27.2 Å²	27.2	16%	0.159	14%	0.144	C	C	.	.	S	Bend	trans	-127.7	144.5	178.4	-69.9	170.3	101.1	0	0	110	R214 I233 D649	R214-E651 WeakPolarHBondContact CD-OE1 3.41Å; R214-E651 IonicContact CZ-OE1 2.57Å; R214-E651 IonicContact CZ-OE2 2.73Å; R214-E651 VanDerWaalsContact CZ-OE2 3.23Å; R214-E651 VanDerWaalsContact NE-CD 3.31Å; R214-E651 IonicContact NE-OE1 3.66Å; R214-E651 PolarHBondContact NE-OE1 3.1Å; R214-E651 IonicContact NE-OE2 2.67Å; R214-E651 PolarHBondContact NE-OE2 2.87Å; R214-E651 IonicContact NH2-OE2 2.83Å; R214-E651 PolarHBondContact NH2-OE2 2.8Å; I233-E651 WeakPolarHBondContact CG1-OE2 3.34Å; D649-E651 PolarHBondContact O-N 2.83Å
652	I	83.3	Confident	86.3	Confident	21 Å²	21	29.5 Å²	29.5	11%	0.108	17%	0.168	C	C	.	.			trans	-91.7	130.5	-177.9	-60.4	166.9	0	0	0	109.2	Y538 F647 I669	Y538-I652 HydrophobicContact CD1-CD1 4.12Å; Y538-I652 HydrophobicContact CD2-CD1 3.9Å; Y538-I652 HydrophobicContact CE1-CD1 3.61Å; Y538-I652 HydrophobicContact CE2-CD1 3.34Å; Y538-I652 HydrophobicContact CG-CD1 4.26Å; Y538-I652 WeakPolarHBondContact OH-CD1 3.34Å; F647-I652 HydrophobicContact CD1-CD1 3.95Å; F647-I652 HydrophobicContact CD1-CG1 3.89Å; F647-I652 HydrophobicContact CD1-CG2 3.87Å; F647-I652 HydrophobicContact CE1-CD1 3.99Å; F647-I652 HydrophobicContact CE1-CG1 4.28Å; F647-I652 HydrophobicContact CE1-CG2 3.74Å; F647-I652 HydrophobicContact CZ-CG2 4.46Å; I652-I669 HydrophobicContact CB-CD1 4.01Å; I652-I669 HydrophobicContact CG2-CD1 3.58Å
653	R	84.8	Confident	85.7	Confident	86 Å²	86	32.8 Å²	32.8	33%	0.325	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130	-178.2	-51	176.1	-175.8	-145.5	0.4	109.2	E229 M645 Q646 D649	E229-R653 IonicContact OE1-CZ 2.71Å; E229-R653 IonicContact OE1-NH1 3.95Å; E229-R653 PolarHBondContact OE1-NH1 2.64Å; E229-R653 IonicContact OE1-NH2 2.81Å; E229-R653 IonicContact OE2-CZ 2.69Å; E229-R653 IonicContact OE2-NH1 3.71Å; E229-R653 PolarHBondContact OE2-NH1 3.23Å; E229-R653 IonicContact OE2-NH2 2.68Å; E229-R653 PolarHBondContact OE2-NH2 2.71Å; M645-R653 WeakPolarHBondContact CA-O 3.35Å; Q646-R653 HydrophobicContact CB-CB 4.32Å; Q646-R653 PolarHBondContact N-O 3.44Å; Q646-R653 PolarHBondContact O-N 2.81Å; D649-R653 IonicContact OD2-CZ 3.86Å; D649-R653 IonicContact OD2-NE 3.32Å; D649-R653 PolarHBondContact OD2-NE 3Å; D649-R653 IonicContact OD2-NH2 2.71Å; D649-R653 PolarHBondContact OD2-NH2 3.22Å
654	A	87.8	Confident	85.2	Confident	5 Å²	5	36.4 Å²	36.4	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.8	-179.9	0	0	0	0	0	111.3	L625 L644 M645 A667 I669	L625-A654 HydrophobicContact CD1-CB 4.19Å; L625-A654 HydrophobicContact CD2-CB 4.11Å; L625-A654 HydrophobicContact CG-CB 4.43Å; L644-A654 WeakPolarHBondContact O-CA 3.32Å; M645-A654 HydrophobicContact CG-CB 4.26Å; A654-A667 PolarHBondContact N-O 2.92Å; A654-A667 PolarHBondContact O-N 3.25Å; A654-A667 VanDerWaalsContact O-O 3.07Å; A654-I669 HydrophobicContact CB-CD1 4.28Å; A654-I669 HydrophobicContact CB-CG1 4.03Å
655	M	89.8	Confident	84.5	Confident	40 Å²	40	37 Å²	37	20%	0.197	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	142.6	179.9	178.9	167.7	53.8	0	0	110.1	T643 L644 I657 T664 V665 K666	T643-M655 CarbonylContact C-O 3.51Å; T643-M655 WeakPolarHBondContact CA-O 3.34Å; L644-M655 HydrophobicContact CD1-CE 4.35Å; L644-M655 PolarHBondContact N-O 3.38Å; L644-M655 PolarHBondContact O-N 3.12Å; M655-I657 HydrophobicContact CE-CD1 3.95Å; M655-I657 HydrophobicContact CE-CG1 4.41Å; M655-I657 HydrophobicContact CG-CG1 4Å; M655-I657 HydrophobicContact SD-CD1 4.2Å; M655-I657 HydrophobicContact SD-CG1 4.19Å; M655-T664 HydrophobicContact SD-CG2 4.41Å; M655-V665 CarbonylContact C-O 3.58Å; M655-V665 VanDerWaalsContact CA-O 3.32Å; M655-V665 WeakPolarHBondContact CA-O 3.25Å; M655-V665 WeakPolarHBondContact CG-O 3.2Å; M655-K666 HydrophobicContact CB-CG 4.36Å; M655-K666 HydrophobicContact CG-CG 4.05Å; M655-K666 HydrophobicContact SD-CD 4.43Å; M655-K666 HydrophobicContact SD-CG 3.88Å
656	A	89.4	Confident	83.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.3	165.6	0	0	0	0	0	110	I601 L625 I641 Q642 T664 V665	I601-A656 HydrophobicContact CD1-CB 3.94Å; L625-A656 HydrophobicContact CB-CB 4.32Å; L625-A656 HydrophobicContact CD1-CB 4.1Å; I641-A656 HydrophobicContact CG2-CB 4.31Å; Q642-A656 CarbonylContact O-C 3.24Å; Q642-A656 VanDerWaalsContact O-CA 3.32Å; Q642-A656 WeakPolarHBondContact O-CA 3.5Å; A656-T664 CarbonylContact O-C 3.55Å; A656-T664 WeakPolarHBondContact O-CA 3.49Å; A656-V665 HydrophobicContact CB-CG1 3.94Å; A656-V665 PolarHBondContact N-O 3.12Å; A656-V665 PolarHBondContact O-N 3.48Å
657	I	90	Very high	82.4	Confident	34 Å²	34	43 Å²	43	17%	0.174	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.6	-178.2	-52.3	-174.3	0	0	0	108.3	I641 Q642 L644 M655 R663 T664	I641-I657 CarbonylContact C-O 3.42Å; I641-I657 WeakPolarHBondContact CA-O 3.11Å; Q642-I657 HydrophobicContact CB-CB 4.42Å; Q642-I657 PolarHBondContact N-O 2.84Å; Q642-I657 PolarHBondContact O-N 2.93Å; L644-I657 HydrophobicContact CD1-CD1 3.67Å; L644-I657 HydrophobicContact CD1-CG1 3.79Å; M655-I657 HydrophobicContact CE-CD1 3.95Å; M655-I657 HydrophobicContact CE-CG1 4.41Å; M655-I657 HydrophobicContact CG-CG1 4Å; M655-I657 HydrophobicContact SD-CD1 4.2Å; M655-I657 HydrophobicContact SD-CG1 4.19Å; I657-R663 WeakPolarHBondContact CA-O 3.5Å; I657-T664 HydrophobicContact CB-CG2 4.33Å; I657-T664 HydrophobicContact CD1-CG2 4.15Å; I657-T664 HydrophobicContact CG1-CG2 3.78Å; I657-T664 HydrophobicContact CG2-CG2 4.1Å
658	D	88.9	Confident	81.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	111.4	163.6	169.4	55.5	0	0	0	109.5	L627 V629 R639 I641 S660 T661 G662 R663	L627-D658 HydrophobicContact CD2-CB 3.92Å; V629-D658 HydrophobicContact CG1-CB 4.34Å; R639-D658 WeakPolarHBondContact CG-OD1 3.23Å; R639-D658 IonicContact CZ-OD1 3.55Å; R639-D658 IonicContact CZ-OD2 3.6Å; R639-D658 IonicContact NE-OD1 3.55Å; R639-D658 PolarHBondContact NE-OD1 3.23Å; R639-D658 IonicContact NE-OD2 3.36Å; R639-D658 IonicContact NH2-OD1 3.42Å; R639-D658 PolarHBondContact NH2-OD1 3.22Å; R639-D658 IonicContact NH2-OD2 2.7Å; R639-D658 PolarHBondContact NH2-OD2 3.11Å; I641-D658 HydrophobicContact CD1-CB 3.96Å; D658-S660 VanDerWaalsContact C-N 3.26Å; D658-S660 PolarHBondContact O-N 2.94Å; D658-S660 PolarHBondContact OD1-OG 3Å; D658-S660 PolarHBondContact OD2-OG 3.38Å; D658-T661 PolarHBondContact O-N 3.05Å; D658-T661 VanDerWaalsContact OD2-CB 3.31Å; D658-T661 WeakPolarHBondContact OD2-CB 3.28Å; D658-T661 VanDerWaalsContact OD2-CG2 3.22Å; D658-T661 WeakPolarHBondContact OD2-CG2 3.41Å; D658-T661 PolarHBondContact OD2-N 3.46Å; D658-T661 PolarHBondContact OD2-OG1 3.07Å; D658-G662 WeakPolarHBondContact O-CA 3.33Å; D658-G662 PolarHBondContact O-N 3.23Å; D658-R663 PolarHBondContact N-O 3.48Å
659	V	87.1	Confident	80.7	Confident	63 Å²	63	47 Å²	47	38%	0.382	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-30.9	-171.3	179.9	0	0	0	0	111.9	E640 Q642 T661	E640-V659 HydrophobicContact CB-CB 4.13Å; E640-V659 HydrophobicContact CB-CG2 3.99Å; E640-V659 HydrophobicContact CG-CB 4.49Å; E640-V659 HydrophobicContact CG-CG2 3.82Å; E640-V659 WeakPolarHBondContact O-CG2 3.22Å; E640-V659 PolarHBondContact O-N 2.9Å; Q642-V659 HydrophobicContact CB-CG2 4.22Å; Q642-V659 HydrophobicContact CG-CG2 3.5Å; Q642-V659 VanDerWaalsContact CG-CG2 3.5Å; V659-T661 VanDerWaalsContact C-N 3.33Å; V659-T661 PolarHBondContact O-N 3.26Å
660	S	82.9	Confident	80.1	Confident	46 Å²	46	47.3 Å²	47.3	32%	0.322	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-23.7	-177.1	63.6	0	0	0	0	113.8	D658	D658-S660 VanDerWaalsContact C-N 3.26Å; D658-S660 PolarHBondContact O-N 2.94Å; D658-S660 PolarHBondContact OD1-OG 3Å; D658-S660 PolarHBondContact OD2-OG 3.38Å
661	T	83.4	Confident	79.8	Confident	56 Å²	56	47.3 Å²	47.3	34%	0.344	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-12.9	-178.5	65.3	0	0	0	0	114.5	T632 D658 V659 R663	T632-T661 HydrophobicContact CG2-CG2 3.87Å; D658-T661 PolarHBondContact O-N 3.05Å; D658-T661 VanDerWaalsContact OD2-CB 3.31Å; D658-T661 WeakPolarHBondContact OD2-CB 3.28Å; D658-T661 VanDerWaalsContact OD2-CG2 3.22Å; D658-T661 WeakPolarHBondContact OD2-CG2 3.41Å; D658-T661 PolarHBondContact OD2-N 3.46Å; D658-T661 PolarHBondContact OD2-OG1 3.07Å; V659-T661 VanDerWaalsContact C-N 3.33Å; V659-T661 PolarHBondContact O-N 3.26Å; T661-R663 PolarHBondContact O-N 3.42Å; T661-R663 WeakPolarHBondContact OG1-CB 3.41Å; T661-R663 WeakPolarHBondContact OG1-CG 3.25Å; T661-R663 PolarHBondContact OG1-N 2.73Å; T661-R663 VanDerWaalsContact OG1-N 3.16Å
662	G	81.4	Confident	79.3	Confident	48 Å²	48	46 Å²	46	50%	0.495	26%	0.257	S	S	.	.			trans	69.2	5	-169.2	0	0	0	0	0	114.1	D658 T664	D658-G662 WeakPolarHBondContact O-CA 3.33Å; D658-G662 PolarHBondContact O-N 3.23Å; G662-T664 WeakPolarHBondContact O-CG2 3.48Å; G662-T664 PolarHBondContact O-N 3.28Å
663	R	80.6	Confident	78.1	Confident	101 Å²	101	48.7 Å²	48.7	38%	0.381	28%	0.278	S	S	.	.			trans	-60.5	126.9	173.3	-78.5	-173.2	179.4	177.8	8.2	109.3	D628 S630 I657 D658 T661	D628-R663 PolarHBondContact O-NH1 3.16Å; D628-R663 VanDerWaalsContact O-NH1 3.16Å; S630-R663 PolarHBondContact O-NH1 2.85Å; I657-R663 WeakPolarHBondContact CA-O 3.5Å; D658-R663 PolarHBondContact N-O 3.48Å; T661-R663 PolarHBondContact O-N 3.42Å; T661-R663 WeakPolarHBondContact OG1-CB 3.41Å; T661-R663 WeakPolarHBondContact OG1-CG 3.25Å; T661-R663 PolarHBondContact OG1-N 2.73Å; T661-R663 VanDerWaalsContact OG1-N 3.16Å
664	T	80.3	Confident	76.6	Confident	76 Å²	76	52.9 Å²	52.9	47%	0.466	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	145.4	177.2	68.7	0	0	0	0	110.5	M655 A656 I657 G662	M655-T664 HydrophobicContact SD-CG2 4.41Å; A656-T664 CarbonylContact O-C 3.55Å; A656-T664 WeakPolarHBondContact O-CA 3.49Å; I657-T664 HydrophobicContact CB-CG2 4.33Å; I657-T664 HydrophobicContact CD1-CG2 4.15Å; I657-T664 HydrophobicContact CG1-CG2 3.78Å; I657-T664 HydrophobicContact CG2-CG2 4.1Å; G662-T664 WeakPolarHBondContact O-CG2 3.48Å; G662-T664 PolarHBondContact O-N 3.28Å
665	V	77.4	Confident	76	Confident	35 Å²	35	55.3 Å²	55.3	21%	0.212	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.2	159	66.8	0	0	0	0	107.9	L625 L627 M655 A656	L625-V665 HydrophobicContact CB-CG1 4.36Å; L627-V665 HydrophobicContact CB-CG1 3.76Å; L627-V665 HydrophobicContact CD1-CB 3.89Å; L627-V665 HydrophobicContact CD1-CG1 3.85Å; L627-V665 HydrophobicContact CG-CG1 4.35Å; M655-V665 CarbonylContact C-O 3.58Å; M655-V665 VanDerWaalsContact CA-O 3.32Å; M655-V665 WeakPolarHBondContact CA-O 3.25Å; M655-V665 WeakPolarHBondContact CG-O 3.2Å; A656-V665 HydrophobicContact CB-CG1 3.94Å; A656-V665 PolarHBondContact N-O 3.12Å; A656-V665 PolarHBondContact O-N 3.48Å
666	K	72.8	Confident	75.3	Confident	161 Å²	161	56.1 Å²	56.1	70%	0.7	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	140	169.4	-63.3	179.7	-179.3	-178.7	0	107.8	M655	M655-K666 HydrophobicContact CB-CG 4.36Å; M655-K666 HydrophobicContact CG-CG 4.05Å; M655-K666 HydrophobicContact SD-CD 4.43Å; M655-K666 HydrophobicContact SD-CG 3.88Å
667	A	62.9	Low	74.5	Confident	26 Å²	26	59.2 Å²	59.2	22%	0.215	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.9	164.9	0	0	0	0	0	109.8	L625 A654	L625-A667 HydrophobicContact CD2-CB 3.58Å; A654-A667 PolarHBondContact N-O 2.92Å; A654-A667 PolarHBondContact O-N 3.25Å; A654-A667 VanDerWaalsContact O-O 3.07Å
668	S	60.9	Low	73.6	Confident	89 Å²	89	60.6 Å²	60.6	62%	0.622	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	131	148	49.7	0	0	0	0	107.7	D670	S668-D670 PolarHBondContact O-N 3.12Å
669	I	68.6	Low	72.6	Confident	8 Å²	8	64.4 Å²	64.4	4%	0.041	37%	0.369	C	S	.	.			trans	-62.5	119.6	175	-65.6	-179.2	0	0	0	107.9	V603 C622 I652 A654 F671	V603-I669 HydrophobicContact CG1-CD1 4.14Å; C622-I669 VanDerWaalsContact C-CG2 3.5Å; C622-I669 HydrophobicContact CB-CG2 4.14Å; C622-I669 WeakPolarHBondContact O-CG2 3.28Å; I652-I669 HydrophobicContact CB-CD1 4.01Å; I652-I669 HydrophobicContact CG2-CD1 3.58Å; A654-I669 HydrophobicContact CB-CD1 4.28Å; A654-I669 HydrophobicContact CB-CG1 4.03Å; I669-F671 HydrophobicContact CB-CD2 4.38Å; I669-F671 HydrophobicContact CB-CE2 3.69Å; I669-F671 HydrophobicContact CB-CZ 3.92Å; I669-F671 HydrophobicContact CG2-CD1 4.18Å; I669-F671 HydrophobicContact CG2-CD2 3.97Å; I669-F671 HydrophobicContact CG2-CE1 3.68Å; I669-F671 HydrophobicContact CG2-CE2 3.43Å; I669-F671 VanDerWaalsContact CG2-CE2 3.43Å; I669-F671 HydrophobicContact CG2-CG 4.32Å; I669-F671 HydrophobicContact CG2-CZ 3.28Å; I669-F671 WeakPolarHBondContact O-CD2 3.3Å; I669-F671 WeakPolarHBondContact O-CE2 3.09Å; I669-F671 PolarHBondContact O-N 3.24Å
670	D	68.8	Low	71.7	Confident	55 Å²	55	64.5 Å²	64.5	29%	0.294	37%	0.368	S	S	.	.			trans	-93.6	96.3	-175.4	-175.9	10.7	0	0	0	112.2	Q211 C622 S668 L672 S673	Q211-D670 PolarHBondContact NE2-OD1 3.38Å; C622-D670 CarbonylContact O-C 3.6Å; C622-D670 PolarHBondContact O-N 3.48Å; S668-D670 PolarHBondContact O-N 3.12Å; D670-L672 PolarHBondContact OD1-N 3.32Å; D670-S673 PolarHBondContact OD1-N 3.26Å; D670-S673 WeakPolarHBondContact OD2-CB 3.47Å; D670-S673 PolarHBondContact OD2-OG 3.03Å
671	F	71.3	Confident	70.9	Confident	10 Å²	10	65.9 Å²	65.9	4%	0.044	37%	0.371	C	S	.	.	S	Bend	trans	-86.9	1.4	177.4	-54.1	-88.9	0	0	0	114	M207 P208 Y538 C622 I669	M207-F671 HydrophobicContact CB-CD1 3.62Å; M207-F671 HydrophobicContact CB-CD2 3.68Å; M207-F671 HydrophobicContact CB-CE1 3.48Å; M207-F671 VanDerWaalsContact CB-CE1 3.48Å; M207-F671 HydrophobicContact CB-CE2 3.56Å; M207-F671 HydrophobicContact CB-CG 3.71Å; M207-F671 HydrophobicContact CB-CZ 3.44Å; M207-F671 VanDerWaalsContact CB-CZ 3.44Å; M207-F671 HydrophobicContact CG-CD1 4.47Å; M207-F671 HydrophobicContact CG-CE1 3.87Å; M207-F671 HydrophobicContact CG-CE2 4.15Å; M207-F671 HydrophobicContact CG-CZ 3.68Å; P208-F671 HydrophobicContact CB-CB 4.15Å; P208-F671 HydrophobicContact CG-CB 3.82Å; Y538-F671 HydrophobicContact CE1-CE1 4.45Å; C622-F671 HydrophobicContact CB-CD1 3.62Å; C622-F671 HydrophobicContact CB-CE1 3.58Å; I669-F671 HydrophobicContact CB-CD2 4.38Å; I669-F671 HydrophobicContact CB-CE2 3.69Å; I669-F671 HydrophobicContact CB-CZ 3.92Å; I669-F671 HydrophobicContact CG2-CD1 4.18Å; I669-F671 HydrophobicContact CG2-CD2 3.97Å; I669-F671 HydrophobicContact CG2-CE1 3.68Å; I669-F671 HydrophobicContact CG2-CE2 3.43Å; I669-F671 VanDerWaalsContact CG2-CE2 3.43Å; I669-F671 HydrophobicContact CG2-CG 4.32Å; I669-F671 HydrophobicContact CG2-CZ 3.28Å; I669-F671 WeakPolarHBondContact O-CD2 3.3Å; I669-F671 WeakPolarHBondContact O-CE2 3.09Å; I669-F671 PolarHBondContact O-N 3.24Å
672	L	73.3	Confident	69.9	Low	5 Å²	5	66.6 Å²	66.6	3%	0.026	37%	0.373	C	S	.	.	S	Bend	trans	-108	-20.1	-177	-70.1	173	0	0	0	114	L147 S148 I149 P208 Q211 F212 E215 D670 H674	L147-L672 HydrophobicContact CD2-CD2 4.26Å; L147-L672 HydrophobicContact CG-CD2 4.07Å; L147-L672 WeakPolarHBondContact O-CD2 3.16Å; S148-L672 WeakPolarHBondContact CB-O 3.31Å; I149-L672 HydrophobicContact CG2-CB 4.37Å; I149-L672 HydrophobicContact CG2-CD1 4.12Å; P208-L672 HydrophobicContact CB-CD2 4.05Å; P208-L672 WeakPolarHBondContact O-CD2 3.47Å; Q211-L672 HydrophobicContact CB-CD1 4.22Å; Q211-L672 HydrophobicContact CB-CG 4.46Å; Q211-L672 HydrophobicContact CG-CD1 3.91Å; Q211-L672 HydrophobicContact CG-CG 4.36Å; F212-L672 HydrophobicContact CB-CD1 4.25Å; F212-L672 HydrophobicContact CB-CD2 4.3Å; F212-L672 HydrophobicContact CD2-CD1 4.44Å; F212-L672 HydrophobicContact CD2-CD2 4.15Å; E215-L672 HydrophobicContact CG-CD1 3.93Å; D670-L672 PolarHBondContact OD1-N 3.32Å; L672-H674 PolarHBondContact O-N 3.14Å
673	S	58.8	Low	68.9	Low	79 Å²	79	68.2 Å²	68.2	55%	0.552	36%	0.363	S	S	*	.			trans	-85.6	103.6	172	-62.9	0	0	0	0	110.9	D670	D670-S673 PolarHBondContact OD1-N 3.26Å; D670-S673 WeakPolarHBondContact OD2-CB 3.47Å; D670-S673 PolarHBondContact OD2-OG 3.03Å
674	H	51.5	Low	67.9	Low	173 Å²	173	65.2 Å²	65.2	80%	0.801	36%	0.361	S	S	*	.			trans	-125	0	175	-73.7	-15	0	0	0	110.5	L672	L672-H674 PolarHBondContact O-N 3.14Å

Retrieved 674 of 674 residues in 361 ms (Link to these results)

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