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Atlastin-1

Atlastin-1 (ATL1) is a membrane-anchored GTPase that mediates the GTP-dependent fusion of endoplasmic reticulum (ER) membranes, maintaining the continuous ER network. It facilitates the formation of three-way junctions where ER tubules intersect. Two atlastin-1 on neighboring ER tubules bind GTP and form loose homodimers through the GB1/RHD3-type G domains and 3HB regions. Upon GTP hydrolysis, the 3HB regions tighten, pulling the membranes together to drive their fusion. After fusion, the homodimer disassembles upon release of inorganic phosphate (Pi). Subsequently, GDP dissociates, resetting the monomers to a conformation ready for a new fusion cycle. May also regulate more or less directly Golgi biogenesis. Indirectly regulates axonal development.

AlphaFold DB , UniProt , Accession A0A2K5NQ74, Species CERAT (Cercocebus atys, Sooty mangabey), Gene ATL1, Length 553 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	37.7	Very low	32.3	Very low	238 Å²	238	173.7 Å²	173.7	100%	1.172	81%	0.814	S	S	*	*				0	106.3	0	-71.6	174.6	172.9	0	0	106.3
2	A	31.4	Very low	32.1	Very low	92 Å²	92	166.3 Å²	166.3	76%	0.76	82%	0.819	S	S	*	*				43.4	128.3	94.3	0	0	0	0	0	111.4
3	K	34.1	Very low	31.7	Very low	189 Å²	189	159.5 Å²	159.5	82%	0.822	82%	0.818	S	S	*	*			cis	-176.9	146.7	25.8	-131.7	173	-178.4	175.8	0	107.9
4	N	33.3	Very low	31.5	Very low	131 Å²	131	161.4 Å²	161.4	70%	0.701	82%	0.818	S	S	*	*			trans	37.1	117.7	139.8	-80.4	-17.8	0	0	0	123.4
5	R	31.8	Very low	31.3	Very low	220 Å²	220	158.5 Å²	158.5	83%	0.83	82%	0.818	S	S	*	*				64.6	139.3	95.4	-129.8	178.4	-172.8	176	1.3	121.3
6	R	33.8	Very low	31.2	Very low	216 Å²	216	158.1 Å²	158.1	82%	0.815	81%	0.812	S	S	*	*			trans	100.2	143.4	156.6	-61.7	-167	-176	162.6	0.4	115.3
7	D	32.4	Very low	31.1	Very low	120 Å²	120	159.9 Å²	159.9	64%	0.642	81%	0.812	S	S	*	*			cis	-170.4	147.5	-16.2	-105.5	-34.8	0	0	0	106.4
8	R	30.8	Very low	30.8	Very low	213 Å²	213	158 Å²	158	80%	0.804	81%	0.81	S	S	*	*			trans	56.9	120.4	143.3	-67.3	176.1	167.2	179.5	-5.2	121.3
9	N	29.6	Very low	30.6	Very low	153 Å²	153	160.9 Å²	160.9	82%	0.818	81%	0.811	S	S	*	*				-174.1	112.9	103.3	-82	-23.1	0	0	0	107.6
10	S	29.6	Very low	30.3	Very low	95 Å²	95	162.4 Å²	162.4	66%	0.664	82%	0.815	S	S	*	*				60.6	119.1	101.3	-159	0	0	0	0	111.3
11	W	30.5	Very low	30.1	Very low	244 Å²	244	165.9 Å²	165.9	92%	0.924	82%	0.819	S	S	*	*				-157.8	150	67.4	-89.8	54.4	0	0	0	110.5
12	G	29.7	Very low	29.6	Very low	85 Å²	85	159.3 Å²	159.3	88%	0.876	80%	0.796	S	S	*	*			trans	-73.7	156.5	-175.7	0	0	0	0	0	115.5
13	G	26.9	Very low	29.5	Very low	78 Å²	78	159.9 Å²	159.9	80%	0.804	79%	0.794	S	S	*	*			trans	-140.1	129.1	165.9	0	0	0	0	0	108.8
14	F	28.9	Very low	29.5	Very low	186 Å²	186	159.2 Å²	159.2	82%	0.816	80%	0.795	S	S	*	*			trans	-50.9	137.3	-168	-96	-124.8	0	0	0	115.8	E16	F14-E16 HydrophobicContact CD1-CG 4.23Å
15	S	28.5	Very low	29.5	Very low	118 Å²	118	161.9 Å²	161.9	83%	0.825	80%	0.803	S	S	*	*			trans	-89	96.3	151.2	173.1	0	0	0	0	107.2
16	E	29.5	Very low	29.5	Very low	152 Å²	152	160.2 Å²	160.2	71%	0.71	80%	0.804	S	S	*	*			trans	-84.3	119.1	164.5	-106.2	168.9	177.1	0	0	108.2	F14 T18	F14-E16 HydrophobicContact CD1-CG 4.23Å; E16-T18 PolarHBondContact O-N 3.03Å; E16-T18 VanDerWaalsContact O-N 3.14Å
17	K	30.2	Very low	29.6	Very low	189 Å²	189	156.9 Å²	156.9	82%	0.822	80%	0.798	S	S	*	*			trans	-69.5	100.8	166.9	-79.3	178.8	173.9	178.8	0	107.9
18	T	25.1	Very low	29.9	Very low	125 Å²	125	156.4 Å²	156.4	77%	0.767	80%	0.802	S	S	*	*			trans	-86.2	120.4	169.5	-40.6	0	0	0	0	108.7	E16 E20	E16-T18 PolarHBondContact O-N 3.03Å; E16-T18 VanDerWaalsContact O-N 3.14Å; T18-E20 PolarHBondContact O-N 3.14Å
19	Y	27.5	Very low	30.5	Very low	214 Å²	214	153.3 Å²	153.3	84%	0.839	81%	0.806	S	S	*	*			trans	-64.9	107.4	172.9	-71.7	-102.7	0	0	0	109.3	W21	Y19-W21 PolarHBondContact O-N 3.29Å
20	E	25.5	Very low	32.2	Very low	190 Å²	190	153.8 Å²	153.8	89%	0.888	80%	0.801	S	S	*	*			trans	-78.8	109.7	163.4	-89.4	178.5	164.1	0	0	108.1	T18 S22	T18-E20 PolarHBondContact O-N 3.14Å; E20-S22 PolarHBondContact O-N 3.09Å; E20-S22 VanDerWaalsContact O-N 3.12Å
21	W	26.1	Very low	34.8	Very low	235 Å²	235	158.6 Å²	158.6	89%	0.89	81%	0.81	S	S	*	*			trans	-50.8	113.1	164.5	-94.1	75.6	0	0	0	108.8	Y19 S23	Y19-W21 PolarHBondContact O-N 3.29Å; W21-S23 VanDerWaalsContact C-N 3.34Å; W21-S23 PolarHBondContact O-N 2.99Å
22	S	26.4	Very low	37.7	Very low	101 Å²	101	148.4 Å²	148.4	71%	0.706	78%	0.777	S	S	*	*			trans	-61.5	102.9	160	54.4	0	0	0	0	106.5	E20 E24	E20-S22 PolarHBondContact O-N 3.09Å; E20-S22 VanDerWaalsContact O-N 3.12Å; S22-E24 PolarHBondContact O-N 3.48Å
23	S	29.8	Very low	40.8	Very low	103 Å²	103	145.1 Å²	145.1	72%	0.72	74%	0.743	S	S	*	*			trans	-50.7	112.6	159.2	47.1	0	0	0	0	106.2	W21 E25	W21-S23 VanDerWaalsContact C-N 3.34Å; W21-S23 PolarHBondContact O-N 2.99Å; S23-E25 PolarHBondContact O-N 3.29Å
24	E	32.4	Very low	44.1	Very low	176 Å²	176	144 Å²	144	82%	0.822	72%	0.722	S	S	*	*			trans	-42.7	116.2	164.9	-68.9	171.4	157.6	0	0	106.3	S22 E26	S22-E24 PolarHBondContact O-N 3.48Å; E24-E26 VanDerWaalsContact C-N 3.29Å; E24-E26 PolarHBondContact O-N 3.26Å
25	E	33.3	Very low	47.3	Very low	187 Å²	187	136.3 Å²	136.3	87%	0.874	69%	0.69	S	S	*	*			trans	-57	102.8	169.9	-70.2	179.9	164	0	0	105.5	S23 E27	S23-E25 PolarHBondContact O-N 3.29Å; E25-E27 PolarHBondContact O-N 3.12Å
26	E	33.2	Very low	50.5	Low	184 Å²	184	132.9 Å²	132.9	86%	0.86	66%	0.661	S	S	*	*			trans	-52.6	107.7	166.5	-75.2	-175.9	159.2	0	0	106	E24 P28	E24-E26 VanDerWaalsContact C-N 3.29Å; E24-E26 PolarHBondContact O-N 3.26Å; E26-P28 VanDerWaalsContact O-N 3.16Å
27	E	35.4	Very low	53.6	Low	147 Å²	147	125.7 Å²	125.7	69%	0.687	63%	0.627	S	S	*	*			trans	-50.8	127.8	173.5	-82.6	-147.4	172.6	0	0	107.3	E25 V29 K30	E25-E27 PolarHBondContact O-N 3.12Å; E27-V29 PolarHBondContact O-N 2.74Å; E27-V29 VanDerWaalsContact O-N 3.13Å; E27-K30 IonicContact OE2-NZ 2.68Å
28	P	39.8	Very low	56.7	Low	110 Å²	110	116.7 Å²	116.7	71%	0.714	59%	0.588	S	S	*	*			trans	-55.8	127.2	179.4	22.9	-32.3	0	0	0	108	E26 K30	E26-P28 VanDerWaalsContact O-N 3.16Å; P28-K30 PolarHBondContact O-N 3.07Å
29	V	42.3	Very low	59.9	Low	147 Å²	147	113.6 Å²	113.6	89%	0.891	57%	0.566	S	S	*	*			trans	-45.1	102.5	178.5	179.7	0	0	0	0	108.6	E27 K31	E27-V29 PolarHBondContact O-N 2.74Å; E27-V29 VanDerWaalsContact O-N 3.13Å; V29-K31 PolarHBondContact O-N 3.24Å; V29-K31 VanDerWaalsContact O-N 3.09Å
30	K	65.2	Low	63	Low	164 Å²	164	104.6 Å²	104.6	71%	0.713	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-60.2	118.5	-179.2	-93.2	173.9	178	151.3	0	107.7	E27 P28 A32	E27-K30 IonicContact OE2-NZ 2.68Å; P28-K30 PolarHBondContact O-N 3.07Å; K30-A32 PolarHBondContact O-N 3.42Å
31	K	83.5	Confident	66.1	Low	196 Å²	196	99.5 Å²	99.5	85%	0.852	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-53.1	138.6	171.5	-167.3	175.9	-178.7	-177.7	0	108.8	V29	V29-K31 PolarHBondContact O-N 3.24Å; V29-K31 VanDerWaalsContact O-N 3.09Å
32	A	92.8	Very high	69	Low	29 Å²	29	95.7 Å²	95.7	24%	0.24	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-56.2	142.2	179.2	0	0	0	0	0	111.2	K30 Y92 W126 S127 E128	K30-A32 PolarHBondContact O-N 3.42Å; A32-Y92 VanDerWaalsContact CB-OH 3.3Å; A32-Y92 WeakPolarHBondContact CB-OH 3.33Å; A32-W126 HydrophobicContact CB-CZ2 3.9Å; A32-S127 VanDerWaalsContact CA-OG 3.29Å; A32-S127 WeakPolarHBondContact CA-OG 3.46Å; A32-E128 HydrophobicContact CB-CB 4.04Å
33	G	94.8	Very high	71.9	Confident	16 Å²	16	96.2 Å²	96.2	17%	0.165	50%	0.5	C	S	.	.			trans	-163.3	172.7	-173.3	0	0	0	0	0	113.2	W126 S127	G33-W126 VanDerWaalsContact C-CZ3 3.48Å; G33-S127 PolarHBondContact N-OG 3.49Å; G33-S127 VanDerWaalsContact O-CB 3.31Å; G33-S127 WeakPolarHBondContact O-CB 3.46Å; G33-S127 PolarHBondContact O-N 3.24Å; G33-S127 PolarHBondContact O-OG 2.92Å
34	P	95.4	Very high	74.6	Confident	56 Å²	56	94.9 Å²	94.9	36%	0.364	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	136	176.2	31.3	-33.4	0	0	0	110.3	F110 W126	P34-F110 HydrophobicContact CB-CD1 3.63Å; P34-F110 HydrophobicContact CB-CE1 3.97Å; P34-F110 HydrophobicContact CB-CG 4.44Å; P34-W126 HydrophobicContact CB-CZ3 4.49Å
35	V	95.9	Very high	77.3	Confident	23 Å²	23	88.4 Å²	88.4	14%	0.139	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.9	179.2	179.5	0	0	0	0	108.8	V37 A52 I56 Q124 I125	V35-V37 PolarHBondContact O-N 2.93Å; V35-A52 HydrophobicContact CG1-CB 3.7Å; V35-I56 HydrophobicContact CB-CD1 3.85Å; V35-I56 HydrophobicContact CG1-CD1 3.91Å; V35-I56 HydrophobicContact CG2-CD1 4Å; V35-Q124 CarbonylContact O-C 3.58Å; V35-Q124 WeakPolarHBondContact O-CA 3.28Å; V35-I125 PolarHBondContact N-O 2.92Å; V35-I125 PolarHBondContact O-N 2.94Å
36	Q	95.4	Very high	80.1	Confident	47 Å²	47	79.8 Å²	79.8	22%	0.22	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	120.3	175.1	-165.2	70.4	49	0	0	109.4	L38 I39 T121 I123	Q36-L38 PolarHBondContact NE2-O 3.32Å; Q36-I39 HydrophobicContact CG-CG1 3.89Å; Q36-T121 PolarHBondContact NE2-O 3.45Å; Q36-T121 PolarHBondContact OE1-O 2.91Å; Q36-I123 PolarHBondContact NE2-O 3.42Å; Q36-I123 VanDerWaalsContact NE2-O 3.13Å
37	V	95.1	Very high	82.9	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-43.4	178.4	-72.6	0	0	0	0	112.3	V35 L48 D49 L53 I123 I125 F329	V35-V37 PolarHBondContact O-N 2.93Å; V37-L48 WeakPolarHBondContact O-CA 3.48Å; V37-L48 WeakPolarHBondContact O-CD1 3.39Å; V37-D49 PolarHBondContact O-N 2.91Å; V37-L53 HydrophobicContact CB-CD1 4.41Å; V37-L53 HydrophobicContact CG1-CB 4.23Å; V37-L53 HydrophobicContact CG1-CD1 3.92Å; V37-I123 HydrophobicContact CG2-CB 4.28Å; V37-I123 HydrophobicContact CG2-CG2 3.96Å; V37-I123 VanDerWaalsContact CG2-O 3.25Å; V37-I123 WeakPolarHBondContact CG2-O 3.23Å; V37-I123 PolarHBondContact N-O 3.07Å; V37-I125 HydrophobicContact CG1-CD1 3.58Å; V37-I125 HydrophobicContact CG1-CG1 3.59Å; V37-I125 HydrophobicContact CG2-CG1 4.24Å; V37-I125 HydrophobicContact CG2-CG2 3.92Å; V37-F329 HydrophobicContact CG2-CZ 4.25Å
38	L	95.1	Very high	85.7	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.5	171.9	-176.6	70.8	0	0	0	108.8	Q36 F46 G122 I123 V163 L166 I333	Q36-L38 PolarHBondContact NE2-O 3.32Å; L38-F46 HydrophobicContact CD1-CB 4.25Å; L38-G122 WeakPolarHBondContact O-CA 3.25Å; L38-I123 HydrophobicContact CB-CB 3.72Å; L38-I123 HydrophobicContact CB-CD1 4.28Å; L38-I123 HydrophobicContact CB-CG1 4.03Å; L38-I123 HydrophobicContact CD2-CB 4.47Å; L38-I123 HydrophobicContact CD2-CD1 3.71Å; L38-I123 HydrophobicContact CD2-CG1 3.83Å; L38-I123 PolarHBondContact N-O 3.04Å; L38-I123 VanDerWaalsContact N-O 3.14Å; L38-I123 PolarHBondContact O-N 3.45Å; L38-I123 VanDerWaalsContact O-N 3.11Å; L38-V163 HydrophobicContact CD2-CG2 4.19Å; L38-L166 HydrophobicContact CD1-CD1 4.21Å; L38-L166 HydrophobicContact CD2-CD1 3.66Å; L38-I333 HydrophobicContact CD1-CD1 3.42Å; L38-I333 VanDerWaalsContact CD1-CD1 3.42Å; L38-I333 HydrophobicContact CD1-CG1 4.13Å
39	I	93.6	Very high	88.4	Confident	60 Å²	60	66.6 Å²	66.6	31%	0.308	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.6	178.8	-56.1	169.5	0	0	0	107.9	Q36 F46 E47	Q36-I39 HydrophobicContact CG-CG1 3.89Å; I39-F46 WeakPolarHBondContact O-CA 3.35Å; I39-E47 HydrophobicContact CB-CB 4.44Å; I39-E47 PolarHBondContact N-O 2.97Å; I39-E47 PolarHBondContact O-N 3.5Å
40	V	90.9	Very high	90.9	Very high	25 Å²	25	63.6 Å²	63.6	15%	0.152	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.4	170	-175.8	0	0	0	0	106.9	F46 V163	V40-F46 HydrophobicContact CG1-CE1 4.36Å; V40-F46 HydrophobicContact CG2-CD1 3.95Å; V40-F46 HydrophobicContact CG2-CE1 4.03Å; V40-V163 HydrophobicContact CG2-CG2 4.21Å
41	K	90.8	Very high	92.3	Very high	83 Å²	83	60.8 Å²	60.8	36%	0.361	32%	0.321	S	S	.	.			trans	-82.9	164.2	179.6	-75.2	-175	160.4	176.8	0	111.7	D43 H44 S45 E47	K41-D43 WeakPolarHBondContact CB-OD1 3.47Å; K41-D43 PolarHBondContact O-N 3.27Å; K41-H44 PolarHBondContact O-N 3.48Å; K41-S45 WeakPolarHBondContact CD-OG 3.41Å; K41-S45 PolarHBondContact N-O 3.07Å; K41-E47 HydrophobicContact CD-CG 4.34Å; K41-E47 VanDerWaalsContact CE-OE1 3.32Å; K41-E47 WeakPolarHBondContact CE-OE1 3.37Å; K41-E47 WeakPolarHBondContact CE-OE2 3.34Å; K41-E47 IonicContact NZ-OE1 3.65Å; K41-E47 PolarHBondContact NZ-OE1 3.41Å; K41-E47 IonicContact NZ-OE2 3.52Å; K41-E47 PolarHBondContact NZ-OE2 2.97Å
42	D	86.9	Confident	92.8	Very high	156 Å²	156	51.6 Å²	51.6	83%	0.834	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-22	178.8	-63.3	-28.7	0	0	0	113.3	H44	D42-H44 PolarHBondContact O-N 2.68Å
43	D	88.3	Confident	93	Very high	111 Å²	111	50.3 Å²	50.3	59%	0.594	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	9.8	173.6	68.4	-11.7	0	0	0	113.2	K41 S45	K41-D43 WeakPolarHBondContact CB-OD1 3.47Å; K41-D43 PolarHBondContact O-N 3.27Å; D43-S45 PolarHBondContact O-N 2.9Å; D43-S45 VanDerWaalsContact OD1-CB 3.29Å; D43-S45 WeakPolarHBondContact OD1-CB 3.48Å; D43-S45 PolarHBondContact OD1-N 3.03Å; D43-S45 VanDerWaalsContact OD1-N 3.08Å; D43-S45 PolarHBondContact OD1-OG 3.34Å; D43-S45 PolarHBondContact OD2-OG 3.29Å
44	H	86.6	Confident	93	Very high	76 Å²	76	51.5 Å²	51.5	35%	0.352	27%	0.273	S	S	.	.	S	Bend	trans	62.7	20.7	-176.5	-50.8	-76.3	0	0	0	114.2	K41 D42 D159	K41-H44 PolarHBondContact O-N 3.48Å; D42-H44 PolarHBondContact O-N 2.68Å; H44-D159 IonicContact CE1-OD2 3.47Å; H44-D159 IonicContact CG-OD2 3.54Å; H44-D159 IonicContact ND1-OD1 3.1Å; H44-D159 IonicContact ND1-OD2 2.64Å; H44-D159 PolarHBondContact ND1-OD2 3.2Å
45	S	89.1	Confident	93	Very high	40 Å²	40	56.3 Å²	56.3	28%	0.28	28%	0.284	S	S	.	.			trans	-84.9	155	167.3	69.7	0	0	0	0	111.5	K41 D43	K41-S45 WeakPolarHBondContact CD-OG 3.41Å; K41-S45 PolarHBondContact N-O 3.07Å; D43-S45 PolarHBondContact O-N 2.9Å; D43-S45 VanDerWaalsContact OD1-CB 3.29Å; D43-S45 WeakPolarHBondContact OD1-CB 3.48Å; D43-S45 PolarHBondContact OD1-N 3.03Å; D43-S45 VanDerWaalsContact OD1-N 3.08Å; D43-S45 PolarHBondContact OD1-OG 3.34Å; D43-S45 PolarHBondContact OD2-OG 3.29Å
46	F	91	Very high	93	Very high	5 Å²	5	55.6 Å²	55.6	2%	0.022	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136	179.5	-51.9	-86.2	0	0	0	110.4	L38 I39 V40 D159 T162 I333 Q337	L38-F46 HydrophobicContact CD1-CB 4.25Å; I39-F46 WeakPolarHBondContact O-CA 3.35Å; V40-F46 HydrophobicContact CG1-CE1 4.36Å; V40-F46 HydrophobicContact CG2-CD1 3.95Å; V40-F46 HydrophobicContact CG2-CE1 4.03Å; F46-D159 HydrophobicContact CE1-CB 4.5Å; F46-D159 HydrophobicContact CZ-CB 4.44Å; F46-T162 HydrophobicContact CD1-CG2 4.04Å; F46-T162 HydrophobicContact CD2-CG2 4.16Å; F46-T162 HydrophobicContact CE1-CG2 3.8Å; F46-T162 HydrophobicContact CE2-CG2 3.93Å; F46-T162 HydrophobicContact CG-CG2 4.23Å; F46-T162 HydrophobicContact CZ-CG2 3.76Å; F46-I333 HydrophobicContact CB-CD1 3.67Å; F46-I333 HydrophobicContact CG-CD1 4.45Å; F46-Q337 PolarHBondContact O-NE2 3.14Å
47	E	93.1	Very high	93	Very high	81 Å²	81	53.4 Å²	53.4	38%	0.379	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.7	174.1	-68	-170.3	163.5	0	0	111.1	I39 K41	I39-E47 HydrophobicContact CB-CB 4.44Å; I39-E47 PolarHBondContact N-O 2.97Å; I39-E47 PolarHBondContact O-N 3.5Å; K41-E47 HydrophobicContact CD-CG 4.34Å; K41-E47 VanDerWaalsContact CE-OE1 3.32Å; K41-E47 WeakPolarHBondContact CE-OE1 3.37Å; K41-E47 WeakPolarHBondContact CE-OE2 3.34Å; K41-E47 IonicContact NZ-OE1 3.65Å; K41-E47 PolarHBondContact NZ-OE1 3.41Å; K41-E47 IonicContact NZ-OE2 3.52Å; K41-E47 PolarHBondContact NZ-OE2 2.97Å
48	L	94.4	Very high	93.1	Very high	23 Å²	23	56.2 Å²	56.2	12%	0.12	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.5	173.4	-178.7	62.3	0	0	0	109	V37 E50 L53 F329 K330 I333	V37-L48 WeakPolarHBondContact O-CA 3.48Å; V37-L48 WeakPolarHBondContact O-CD1 3.39Å; L48-E50 HydrophobicContact CD2-CG 4Å; L48-E50 HydrophobicContact CG-CG 4.11Å; L48-E50 PolarHBondContact O-N 3.41Å; L48-L53 HydrophobicContact CD1-CD2 4.18Å; L48-L53 HydrophobicContact CD2-CD2 4.36Å; L48-F329 HydrophobicContact CD1-CD1 3.43Å; L48-F329 VanDerWaalsContact CD1-CD1 3.43Å; L48-F329 HydrophobicContact CD1-CE1 3.45Å; L48-F329 VanDerWaalsContact CD1-CE1 3.45Å; L48-F329 HydrophobicContact CD1-CG 4.31Å; L48-F329 HydrophobicContact CD1-CZ 4.33Å; L48-F329 HydrophobicContact CD2-CB 4.47Å; L48-F329 HydrophobicContact CD2-CD1 3.88Å; L48-F329 HydrophobicContact CG-CD1 4.3Å; L48-K330 HydrophobicContact CD2-CG 3.83Å; L48-I333 HydrophobicContact CB-CG1 4.33Å; L48-I333 HydrophobicContact CB-CG2 4.06Å; L48-I333 HydrophobicContact CD2-CG2 3.89Å
49	D	95.9	Very high	93	Very high	61 Å²	61	58.5 Å²	58.5	33%	0.326	30%	0.3	S	S	.	.			trans	-76.1	82.3	167	-171.3	-16.5	0	0	0	109.3	V37 T51 A52 L53	V37-D49 PolarHBondContact O-N 2.91Å; D49-T51 PolarHBondContact O-N 3.19Å; D49-T51 PolarHBondContact OD1-N 3.35Å; D49-T51 VanDerWaalsContact OD1-N 3.13Å; D49-A52 HydrophobicContact CB-CB 4.03Å; D49-A52 PolarHBondContact O-N 2.89Å; D49-A52 WeakPolarHBondContact OD1-CB 3.49Å; D49-A52 PolarHBondContact OD1-N 3.48Å; D49-A52 WeakPolarHBondContact OD2-CB 3.29Å; D49-L53 WeakPolarHBondContact O-CB 3.32Å; D49-L53 PolarHBondContact O-N 3.33Å
50	E	94.3	Very high	93	Very high	84 Å²	84	63.3 Å²	63.3	39%	0.393	32%	0.321	S	S	.	.	H	α-helix	trans	-59.2	-33.7	178	-70	-167.5	-149	0	0	111.9	L48 L53 N54 K330	L48-E50 HydrophobicContact CD2-CG 4Å; L48-E50 HydrophobicContact CG-CG 4.11Å; L48-E50 PolarHBondContact O-N 3.41Å; E50-L53 PolarHBondContact O-N 2.96Å; E50-N54 WeakPolarHBondContact O-CB 3.39Å; E50-N54 PolarHBondContact O-N 3.49Å; E50-N54 PolarHBondContact O-ND2 3.37Å; E50-K330 HydrophobicContact CG-CD 4.47Å; E50-K330 HydrophobicContact CG-CG 4.36Å; E50-K330 WeakPolarHBondContact OE2-CE 3.32Å; E50-K330 IonicContact OE2-NZ 3.98Å; E50-K330 PolarHBondContact OE2-NZ 3.48Å
51	T	95.8	Very high	93.2	Very high	105 Å²	105	65.3 Å²	65.3	64%	0.644	34%	0.34	S	S	*	.	H	α-helix	trans	-67.5	-45.9	-177.6	-55.2	0	0	0	0	110.2	D49 R55	D49-T51 PolarHBondContact O-N 3.19Å; D49-T51 PolarHBondContact OD1-N 3.35Å; D49-T51 VanDerWaalsContact OD1-N 3.13Å; T51-R55 WeakPolarHBondContact O-CB 3.49Å; T51-R55 PolarHBondContact O-N 2.93Å
52	A	94.8	Very high	93.5	Very high	3 Å²	3	61.7 Å²	61.7	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-44	175.8	0	0	0	0	0	112.2	V35 D49 R55 I56	V35-A52 HydrophobicContact CG1-CB 3.7Å; D49-A52 HydrophobicContact CB-CB 4.03Å; D49-A52 PolarHBondContact O-N 2.89Å; D49-A52 WeakPolarHBondContact OD1-CB 3.49Å; D49-A52 PolarHBondContact OD1-N 3.48Å; D49-A52 WeakPolarHBondContact OD2-CB 3.29Å; A52-R55 PolarHBondContact O-N 3.39Å; A52-I56 WeakPolarHBondContact O-CG1 3.37Å; A52-I56 PolarHBondContact O-N 3.46Å
53	L	95.1	Very high	93.8	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-64.1	-45.2	178.9	-172.1	68.5	0	0	0	111.8	V37 L48 D49 E50 R55 I56 L57 I125 V326 F329	V37-L53 HydrophobicContact CB-CD1 4.41Å; V37-L53 HydrophobicContact CG1-CB 4.23Å; V37-L53 HydrophobicContact CG1-CD1 3.92Å; L48-L53 HydrophobicContact CD1-CD2 4.18Å; L48-L53 HydrophobicContact CD2-CD2 4.36Å; D49-L53 WeakPolarHBondContact O-CB 3.32Å; D49-L53 PolarHBondContact O-N 3.33Å; E50-L53 PolarHBondContact O-N 2.96Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.35Å; L53-I56 PolarHBondContact O-N 3.4Å; L53-L57 HydrophobicContact CD1-CD1 3.69Å; L53-L57 HydrophobicContact CD1-CG 4.38Å; L53-L57 HydrophobicContact CG-CD1 4.19Å; L53-L57 PolarHBondContact O-N 2.96Å; L53-I125 HydrophobicContact CD1-CD1 3.77Å; L53-V326 HydrophobicContact CD2-CG1 4.36Å; L53-V326 HydrophobicContact CD2-CG2 4.37Å; L53-V326 HydrophobicContact CG-CG2 4.25Å; L53-F329 HydrophobicContact CD2-CB 3.87Å; L53-F329 HydrophobicContact CD2-CD1 4.47Å; L53-F329 HydrophobicContact CD2-CD2 4.13Å; L53-F329 HydrophobicContact CD2-CG 3.91Å
54	N	95.4	Very high	94.2	Very high	42 Å²	42	57.5 Å²	57.5	23%	0.225	30%	0.296	C	S	.	.	H	α-helix	trans	-61.7	-42.4	177.5	-71.4	-25.2	0	0	0	111.3	E50 I56 L58 V326	E50-N54 WeakPolarHBondContact O-CB 3.39Å; E50-N54 PolarHBondContact O-N 3.49Å; E50-N54 PolarHBondContact O-ND2 3.37Å; N54-I56 PolarHBondContact O-N 3Å; N54-L58 HydrophobicContact CB-CD1 3.88Å; N54-L58 HydrophobicContact CB-CG 4.33Å; N54-L58 WeakPolarHBondContact O-CA 3.47Å; N54-L58 WeakPolarHBondContact O-CB 3.3Å; N54-L58 PolarHBondContact O-N 3.02Å; N54-L58 WeakPolarHBondContact OD1-CD1 3.45Å; N54-V326 WeakPolarHBondContact OD1-CG1 3.44Å
55	R	95.9	Very high	94.7	Very high	156 Å²	156	57.5 Å²	57.5	59%	0.589	30%	0.295	S	S	*	.	H	α-helix	trans	-57.2	-36.3	178.2	-178.2	176.5	62.1	-137	-5.8	112.3	T51 A52 L53	T51-R55 WeakPolarHBondContact O-CB 3.49Å; T51-R55 PolarHBondContact O-N 2.93Å; A52-R55 PolarHBondContact O-N 3.39Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.35Å
56	I	95.4	Very high	95.1	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.046	29%	0.292	C	S	.	.	H	α-helix	trans	-81.8	-56.2	-178.4	-63.4	165.5	0	0	0	110.6	V35 A52 L53 N54 S59 I125 V129	V35-I56 HydrophobicContact CB-CD1 3.85Å; V35-I56 HydrophobicContact CG1-CD1 3.91Å; V35-I56 HydrophobicContact CG2-CD1 4Å; A52-I56 WeakPolarHBondContact O-CG1 3.37Å; A52-I56 PolarHBondContact O-N 3.46Å; L53-I56 PolarHBondContact O-N 3.4Å; N54-I56 PolarHBondContact O-N 3Å; I56-S59 PolarHBondContact O-OG 3.28Å; I56-I125 HydrophobicContact CB-CD1 4.37Å; I56-I125 HydrophobicContact CD1-CD1 3.54Å; I56-I125 HydrophobicContact CD1-CG1 3.85Å; I56-I125 HydrophobicContact CG2-CD1 4.21Å; I56-V129 HydrophobicContact CG2-CG2 3.52Å
57	L	96.3	Very high	95.4	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-88.6	-17.5	-168.3	-67.2	179.3	0	0	0	114.9	L53 R63 V129 L143 C322 L325 V326	L53-L57 HydrophobicContact CD1-CD1 3.69Å; L53-L57 HydrophobicContact CD1-CG 4.38Å; L53-L57 HydrophobicContact CG-CD1 4.19Å; L53-L57 PolarHBondContact O-N 2.96Å; L57-R63 WeakPolarHBondContact O-CA 3.28Å; L57-V129 HydrophobicContact CD2-CG2 4.22Å; L57-L143 HydrophobicContact CD2-CD1 4.26Å; L57-L143 HydrophobicContact CD2-CD2 4.36Å; L57-C322 HydrophobicContact CB-CB 4.27Å; L57-C322 HydrophobicContact CD2-CB 4.15Å; L57-C322 WeakPolarHBondContact O-CB 3.32Å; L57-L325 HydrophobicContact CD1-CD2 4.3Å; L57-V326 HydrophobicContact CB-CG2 3.51Å; L57-V326 HydrophobicContact CD1-CG2 3.68Å; L57-V326 HydrophobicContact CG-CG2 4.23Å
58	L	95.7	Very high	95.7	Very high	58 Å²	58	53.6 Å²	53.6	30%	0.304	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	7.4	178.4	-55.5	-176.4	0	0	0	113.7	N54 R323 V326	N54-L58 HydrophobicContact CB-CD1 3.88Å; N54-L58 HydrophobicContact CB-CG 4.33Å; N54-L58 WeakPolarHBondContact O-CA 3.47Å; N54-L58 WeakPolarHBondContact O-CB 3.3Å; N54-L58 PolarHBondContact O-N 3.02Å; N54-L58 WeakPolarHBondContact OD1-CD1 3.45Å; L58-R323 HydrophobicContact CD2-CB 3.93Å; L58-R323 HydrophobicContact CD2-CG 3.87Å; L58-V326 HydrophobicContact CD2-CG2 4.13Å; L58-V326 HydrophobicContact CG-CG2 4.35Å
59	S	94.8	Very high	95.8	Very high	48 Å²	48	52.5 Å²	52.5	34%	0.336	27%	0.267	S	S	.	.	S	Bend	trans	-60.4	143.7	172.4	68.1	0	0	0	0	111.1	I56 A61 V62 R63	I56-S59 PolarHBondContact O-OG 3.28Å; S59-A61 PolarHBondContact O-N 2.94Å; S59-A61 VanDerWaalsContact O-N 3.11Å; S59-V62 PolarHBondContact O-N 2.93Å; S59-V62 VanDerWaalsContact O-N 3.08Å; S59-V62 WeakPolarHBondContact OG-CG2 3.47Å; S59-R63 WeakPolarHBondContact O-CB 3.37Å; S59-R63 PolarHBondContact O-N 3.48Å
60	E	93.6	Very high	96	Very high	162 Å²	162	49.6 Å²	49.6	76%	0.757	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.8	-173.7	-172.6	176.1	-170.7	0	0	112.8	V62	E60-V62 VanDerWaalsContact C-N 3.33Å; E60-V62 PolarHBondContact O-N 2.9Å
61	A	94.4	Very high	96.1	Very high	67 Å²	67	45.6 Å²	45.6	55%	0.554	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-30.3	-179.7	0	0	0	0	0	114	S59	S59-A61 PolarHBondContact O-N 2.94Å; S59-A61 VanDerWaalsContact O-N 3.11Å
62	V	96	Very high	96.2	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.042	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124	-22.9	-168.5	-46.8	0	0	0	0	114.5	S59 E60 D64 K65 V129 L131 C322	S59-V62 PolarHBondContact O-N 2.93Å; S59-V62 VanDerWaalsContact O-N 3.08Å; S59-V62 WeakPolarHBondContact OG-CG2 3.47Å; E60-V62 VanDerWaalsContact C-N 3.33Å; E60-V62 PolarHBondContact O-N 2.9Å; V62-D64 PolarHBondContact O-N 2.79Å; V62-K65 VanDerWaalsContact O-CB 3.3Å; V62-K65 WeakPolarHBondContact O-CB 3.41Å; V62-K65 PolarHBondContact O-N 3.1Å; V62-V129 HydrophobicContact CB-CG1 4.34Å; V62-V129 HydrophobicContact CG1-CB 4.15Å; V62-V129 HydrophobicContact CG1-CG1 4.15Å; V62-L131 HydrophobicContact CG1-CD2 4Å; V62-L131 HydrophobicContact CG1-CG 4.42Å; V62-C322 HydrophobicContact CG2-CB 4.37Å; V62-C322 WeakPolarHBondContact O-CB 3.27Å
63	R	94.1	Very high	96.1	Very high	89 Å²	89	40.5 Å²	40.5	34%	0.336	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-34	-168.7	71.4	-174.5	-170.5	-170.7	-8.8	115.4	L57 S59 R323	L57-R63 WeakPolarHBondContact O-CA 3.28Å; S59-R63 WeakPolarHBondContact O-CB 3.37Å; S59-R63 PolarHBondContact O-N 3.48Å; R63-R323 WeakPolarHBondContact O-CB 3.4Å; R63-R323 PolarHBondContact O-N 3.42Å
64	D	95.9	Very high	95.9	Very high	90 Å²	90	40.5 Å²	40.5	48%	0.481	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	7.3	-177	-60.9	-54	0	0	0	112.4	V62 R323	V62-D64 PolarHBondContact O-N 2.79Å; D64-R323 IonicContact OD1-CZ 3.79Å; D64-R323 VanDerWaalsContact OD1-CZ 3.28Å; D64-R323 IonicContact OD1-NH1 3.55Å; D64-R323 IonicContact OD1-NH2 2.76Å; D64-R323 PolarHBondContact OD1-NH2 3.43Å; D64-R323 IonicContact OD2-NH2 2.69Å
65	K	97.4	Very high	95.6	Very high	75 Å²	75	40 Å²	40	33%	0.326	20%	0.203	S	C	.	.	S	Bend	trans	-88.6	141.3	177	-57.4	-61.6	-176.6	-178.2	0	110.7	V62 L131 A141 T321 C322	V62-K65 VanDerWaalsContact O-CB 3.3Å; V62-K65 WeakPolarHBondContact O-CB 3.41Å; V62-K65 PolarHBondContact O-N 3.1Å; K65-L131 HydrophobicContact CG-CD2 4.15Å; K65-A141 HydrophobicContact CB-CB 3.95Å; K65-T321 CarbonylContact O-C 3.51Å; K65-T321 WeakPolarHBondContact O-CA 3.38Å; K65-T321 WeakPolarHBondContact O-CB 3.38Å; K65-C322 PolarHBondContact O-N 2.75Å
66	E	97.8	Very high	95.1	Very high	45 Å²	45	35.8 Å²	35.8	21%	0.21	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-58.4	133.7	166.9	-69.9	176.6	165	0	0	109.1	K138 V140 A141 I312 K319 I320	E66-K138 IonicContact OE1-NZ 3.28Å; E66-K138 IonicContact OE2-NZ 2.72Å; E66-V140 HydrophobicContact CB-CG1 4.46Å; E66-V140 WeakPolarHBondContact O-CA 3.47Å; E66-A141 PolarHBondContact O-N 2.96Å; E66-I312 HydrophobicContact CB-CD1 4.5Å; E66-I312 HydrophobicContact CB-CG1 4.42Å; E66-I312 HydrophobicContact CB-CG2 3.85Å; E66-I312 HydrophobicContact CG-CG2 4.39Å; E66-I312 VanDerWaalsContact OE2-CD1 3.23Å; E66-I312 WeakPolarHBondContact OE2-CD1 3.37Å; E66-K319 WeakPolarHBondContact OE1-CD 3.25Å; E66-I320 WeakPolarHBondContact CA-O 3.34Å
67	V	97.9	Very high	94.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142	-171.5	70.9	0	0	0	0	111.9	A141 L143 K313 I320 L325	V67-A141 CarbonylContact C-O 3.49Å; V67-A141 VanDerWaalsContact CA-O 3.31Å; V67-A141 WeakPolarHBondContact CA-O 3.47Å; V67-L143 HydrophobicContact CG2-CB 4.37Å; V67-K313 HydrophobicContact CG1-CB 3.97Å; V67-K313 WeakPolarHBondContact O-CB 3.5Å; V67-K313 PolarHBondContact O-N 2.96Å; V67-I320 HydrophobicContact CG1-CG2 4.37Å; V67-I320 PolarHBondContact N-O 3.04Å; V67-L325 HydrophobicContact CG1-CB 4.19Å; V67-L325 HydrophobicContact CG1-CD1 4.37Å; V67-L325 HydrophobicContact CG1-CD2 3.93Å; V67-L325 HydrophobicContact CG1-CG 4.4Å; V67-L325 HydrophobicContact CG2-CD2 4.03Å
68	V	98.3	Very high	94.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.7	169	176.6	0	0	0	0	105.9	V70 V140 A141 V142 L143 I173 L310 D311 I312	V68-V70 HydrophobicContact CG1-CG2 4.27Å; V68-V140 HydrophobicContact CG2-CB 4.25Å; V68-V140 HydrophobicContact CG2-CG2 4.07Å; V68-A141 PolarHBondContact N-O 2.89Å; V68-V142 HydrophobicContact CB-CG2 4.31Å; V68-V142 CarbonylContact O-C 3.58Å; V68-V142 WeakPolarHBondContact O-CA 3.32Å; V68-L143 PolarHBondContact O-N 3.17Å; V68-I173 HydrophobicContact CG1-CD1 4.5Å; V68-L310 HydrophobicContact CG1-CB 4.13Å; V68-L310 HydrophobicContact CG1-CD2 3.84Å; V68-L310 HydrophobicContact CG2-CB 4.04Å; V68-D311 WeakPolarHBondContact CG1-O 3.37Å; V68-I312 HydrophobicContact CG2-CG1 4.27Å
69	A	98	Very high	93.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.1	-176.2	0	0	0	0	0	109.3	S171 S172 I173	A69-S171 CarbonylContact O-C 3.56Å; A69-S171 WeakPolarHBondContact O-CA 3.47Å; A69-S171 WeakPolarHBondContact O-CB 3.33Å; A69-S172 PolarHBondContact N-OG 3.27Å; A69-S172 PolarHBondContact O-N 3Å; A69-S172 PolarHBondContact O-OG 3.26Å; A69-I173 PolarHBondContact O-N 2.96Å; A69-I173 VanDerWaalsContact O-N 3.13Å
70	V	98.4	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.6	-178.5	-172.9	0	0	0	0	108.8	V68 M87 L143 L144 M145 I173 L305	V68-V70 HydrophobicContact CG1-CG2 4.27Å; V70-M87 HydrophobicContact CG1-CE 4.39Å; V70-L143 PolarHBondContact N-O 3.14Å; V70-L144 HydrophobicContact CB-CD2 3.91Å; V70-L144 HydrophobicContact CG2-CD2 4.35Å; V70-M145 PolarHBondContact O-N 3.25Å; V70-I173 WeakPolarHBondContact CA-O 3.5Å; V70-I173 HydrophobicContact CG1-CB 4.44Å; V70-I173 HydrophobicContact CG1-CG2 4.43Å; V70-I173 HydrophobicContact CG2-CB 4.37Å; V70-I173 HydrophobicContact CG2-CD1 4.3Å; V70-L305 HydrophobicContact CB-CD2 4.41Å; V70-L305 HydrophobicContact CG1-CD2 4.25Å; V70-L305 HydrophobicContact CG2-CD2 3.75Å
71	S	97.7	Very high	93.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.6	-176.5	172.1	0	0	0	0	110.4	M145 S167 I173 Q174 V175	S71-M145 WeakPolarHBondContact CA-O 3.45Å; S71-M145 VanDerWaalsContact CB-CE 3.49Å; S71-S167 WeakPolarHBondContact OG-CB 3.3Å; S71-I173 PolarHBondContact N-O 2.86Å; S71-Q174 PolarHBondContact OG-NE2 3.42Å; S71-Q174 PolarHBondContact OG-OE1 3.1Å; S71-V175 WeakPolarHBondContact O-CB 3.41Å; S71-V175 PolarHBondContact O-N 3.48Å
72	V	96.7	Very high	93.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.6	169	-174.4	0	0	0	0	108.5	K80 L83 M84 M87 M145 T147 V175 N177	V72-K80 HydrophobicContact CG1-CB 3.93Å; V72-K80 HydrophobicContact CG1-CD 4.14Å; V72-K80 HydrophobicContact CG1-CG 3.93Å; V72-L83 HydrophobicContact CG1-CD2 4.42Å; V72-L83 HydrophobicContact CG2-CD2 4.46Å; V72-M84 HydrophobicContact CB-CG 4.18Å; V72-M84 HydrophobicContact CB-SD 4.19Å; V72-M84 HydrophobicContact CG2-CG 3.8Å; V72-M84 HydrophobicContact CG2-SD 3.47Å; V72-M84 WeakPolarHBondContact CG2-SD 3.33Å; V72-M87 HydrophobicContact CG2-CE 4.43Å; V72-M87 HydrophobicContact CG2-SD 4.33Å; V72-M145 PolarHBondContact N-O 3.3Å; V72-T147 PolarHBondContact O-OG1 3.14Å; V72-V175 WeakPolarHBondContact CA-O 3.38Å; V72-V175 HydrophobicContact CB-CB 4.47Å; V72-V175 HydrophobicContact CG1-CB 4.42Å; V72-V175 HydrophobicContact CG1-CG1 4.42Å; V72-V175 HydrophobicContact CG2-CB 4.05Å; V72-V175 HydrophobicContact CG2-CG2 4.38Å; V72-N177 HydrophobicContact CG1-CB 4.02Å
73	A	93.4	Very high	93.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.008	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	160.9	176.8	0	0	0	0	0	111.8	T147 F164 V175 Y176 N177	A73-T147 WeakPolarHBondContact CA-OG1 3.36Å; A73-T147 HydrophobicContact CB-CG2 4.33Å; A73-T147 WeakPolarHBondContact CB-OG1 3.45Å; A73-F164 HydrophobicContact CB-CD2 3.77Å; A73-F164 HydrophobicContact CB-CE2 3.87Å; A73-V175 PolarHBondContact N-O 3.44Å; A73-V175 VanDerWaalsContact O-O 3.14Å; A73-Y176 WeakPolarHBondContact O-CA 3.49Å; A73-N177 PolarHBondContact O-N 3.39Å
74	G	91	Very high	93.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.			trans	146.3	-176.8	-177.4	0	0	0	0	0	111.5	K80 G149 T150	G74-K80 PolarHBondContact O-NZ 3.02Å; G74-G149 VanDerWaalsContact O-CA 3.23Å; G74-G149 WeakPolarHBondContact O-CA 3.35Å; G74-T150 PolarHBondContact O-N 2.96Å; G74-T150 VanDerWaalsContact O-N 3.16Å
75	A	88.3	Confident	93.8	Very high	33 Å²	33	21.1 Å²	21.1	27%	0.273	11%	0.107	S	C	.	.	B	Isolated β-bridge	trans	-52.9	148.8	-174.2	0	0	0	0	0	113.4	K78 K80 T150	A75-K78 HydrophobicContact CB-CG 3.98Å; A75-K80 PolarHBondContact O-NZ 3.46Å; A75-K80 VanDerWaalsContact O-NZ 3.08Å; A75-T150 PolarHBondContact N-OG1 2.95Å
76	F	85.1	Confident	93.7	Very high	67 Å²	67	17.5 Å²	17.5	29%	0.294	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	151.7	177	82.5	-73.7	0	0	0	112.1	K78 S116 T150 F151 D152	F76-K78 VanDerWaalsContact C-N 3.29Å; F76-K78 PolarHBondContact O-N 3.44Å; F76-S116 WeakPolarHBondContact CE2-O 3.27Å; F76-T150 PolarHBondContact N-O 3.28Å; F76-T150 VanDerWaalsContact N-O 3.16Å; F76-F151 VanDerWaalsContact CD1-O 3.32Å; F76-F151 WeakPolarHBondContact CD1-O 3.4Å; F76-F151 WeakPolarHBondContact CE1-O 3.37Å; F76-D152 HydrophobicContact CB-CB 4.36Å; F76-D152 HydrophobicContact CD1-CB 4.21Å; F76-D152 HydrophobicContact CD2-CB 4.34Å; F76-D152 HydrophobicContact CG-CB 4.05Å
77	R	84.4	Confident	93.7	Very high	73 Å²	73	15.4 Å²	15.4	28%	0.275	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	32	-179.6	-65.7	-65.1	-178	-151.6	-12.3	116.3	R113 G115 E117 R118	R77-R113 PolarHBondContact NH1-O 2.94Å; R77-G115 WeakPolarHBondContact CD-O 3.32Å; R77-G115 PolarHBondContact NE-O 3.46Å; R77-G115 VanDerWaalsContact NE-O 3.09Å; R77-E117 PolarHBondContact NE-O 3.33Å; R77-E117 VanDerWaalsContact NH2-C 3.32Å; R77-E117 PolarHBondContact NH2-O 3.4Å; R77-R118 PolarHBondContact NH2-O 3.24Å
78	K	89	Confident	93.7	Very high	82 Å²	82	15.6 Å²	15.6	36%	0.357	8%	0.083	S	C	.	.	S	Bend	trans	-106.5	22.8	173.4	-56.9	-54.3	-173.4	167.3	0	114.6	A75 F76 N177 S179 R217	A75-K78 HydrophobicContact CB-CG 3.98Å; F76-K78 VanDerWaalsContact C-N 3.29Å; F76-K78 PolarHBondContact O-N 3.44Å; K78-N177 VanDerWaalsContact CB-ND2 3.31Å; K78-N177 WeakPolarHBondContact CB-ND2 3.25Å; K78-N177 PolarHBondContact O-ND2 3.11Å; K78-S179 PolarHBondContact NZ-OG 2.83Å; K78-R217 PolarHBondContact O-NH1 2.98Å
79	G	88.9	Confident	93.6	Very high	30 Å²	30	16.5 Å²	16.5	31%	0.309	9%	0.086	S	C	.	.	S	Bend	trans	68.4	41.4	173.5	0	0	0	0	0	115.2	L83 R217	G79-L83 PolarHBondContact O-N 3.44Å; G79-R217 PolarHBondContact O-NH1 3.26Å
80	K	92.6	Very high	93.5	Very high	12 Å²	12	17.4 Å²	17.4	5%	0.052	9%	0.089	C	C	.	.	H	α-helix	trans	-69.5	-58.4	176.7	-64.2	-167.3	-63.5	-76.1	0	112	V72 G74 A75 F82 L83 M84 T147 N177	V72-K80 HydrophobicContact CG1-CB 3.93Å; V72-K80 HydrophobicContact CG1-CD 4.14Å; V72-K80 HydrophobicContact CG1-CG 3.93Å; G74-K80 PolarHBondContact O-NZ 3.02Å; A75-K80 PolarHBondContact O-NZ 3.46Å; A75-K80 VanDerWaalsContact O-NZ 3.08Å; K80-F82 VanDerWaalsContact C-N 3.26Å; K80-F82 PolarHBondContact O-N 3.04Å; K80-L83 WeakPolarHBondContact O-CA 3.25Å; K80-L83 WeakPolarHBondContact O-CB 3.44Å; K80-L83 PolarHBondContact O-N 2.95Å; K80-M84 PolarHBondContact O-N 2.97Å; K80-T147 WeakPolarHBondContact CE-O 3.41Å; K80-N177 HydrophobicContact CG-CB 4.17Å
81	S	92.9	Very high	93.4	Very high	12 Å²	12	17.9 Å²	17.9	8%	0.084	9%	0.092	C	C	.	.	H	α-helix	trans	-59.2	-37.6	178.3	-39.8	0	0	0	0	111.8	L83 M84 D85 T120 D146	S81-L83 VanDerWaalsContact C-N 3.32Å; S81-L83 PolarHBondContact O-N 3.4Å; S81-M84 WeakPolarHBondContact O-CB 3.47Å; S81-M84 PolarHBondContact O-N 2.81Å; S81-D85 PolarHBondContact O-N 3.1Å; S81-T120 PolarHBondContact OG-OG1 3.26Å; S81-D146 WeakPolarHBondContact CB-OD2 3.45Å; S81-D146 PolarHBondContact OG-OD2 3.47Å
82	F	93.9	Very high	93.4	Very high	12 Å²	12	22.2 Å²	22.2	5%	0.053	11%	0.109	C	C	.	.	H	α-helix	trans	-57.7	-39.4	171.4	177.4	-97.9	0	0	0	113.3	K80 F86 L107 W112 V276 F282 I289 F293	K80-F82 VanDerWaalsContact C-N 3.26Å; K80-F82 PolarHBondContact O-N 3.04Å; F82-F86 HydrophobicContact CD1-CE2 4.28Å; F82-F86 HydrophobicContact CD2-CE2 4.42Å; F82-F86 HydrophobicContact CE1-CD2 4.33Å; F82-F86 AromaticContact CE1-CE2 3.73Å; F82-F86 HydrophobicContact CE1-CE2 3.73Å; F82-F86 AromaticContact CE2-CE2 3.87Å; F82-F86 HydrophobicContact CE2-CE2 3.87Å; F82-F86 AromaticContact CZ-CE2 3.53Å; F82-F86 HydrophobicContact CZ-CE2 3.53Å; F82-F86 HydrophobicContact CZ-CZ 4.28Å; F82-F86 VanDerWaalsContact O-CD2 3.26Å; F82-F86 WeakPolarHBondContact O-CD2 3.29Å; F82-L107 HydrophobicContact CD2-CD2 3.5Å; F82-L107 HydrophobicContact CE2-CD2 3.71Å; F82-L107 HydrophobicContact CG-CD2 4.25Å; F82-W112 HydrophobicContact CD2-CD2 4.29Å; F82-W112 HydrophobicContact CD2-CE3 4.2Å; F82-W112 HydrophobicContact CD2-CH2 4.4Å; F82-W112 HydrophobicContact CD2-CZ2 4.48Å; F82-W112 HydrophobicContact CD2-CZ3 4.25Å; F82-V276 HydrophobicContact CZ-CG1 4.29Å; F82-F282 HydrophobicContact CD2-CE1 4.5Å; F82-F282 AromaticContact CE2-CE1 3.77Å; F82-F282 HydrophobicContact CE2-CE1 3.77Å; F82-F282 AromaticContact CE2-CZ 3.96Å; F82-F282 HydrophobicContact CE2-CZ 3.96Å; F82-F282 HydrophobicContact CZ-CE1 4.46Å; F82-F282 HydrophobicContact CZ-CZ 4.37Å; F82-I289 HydrophobicContact CZ-CD1 3.97Å; F82-F293 HydrophobicContact CE1-CE1 4.1Å; F82-F293 HydrophobicContact CE1-CZ 4.05Å
83	L	94.9	Very high	93.2	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-71.2	-42.6	175.3	177.4	71.8	0	0	0	111.5	V72 G79 K80 S81 D85 F86 M87 L215 L297 L300 I301	V72-L83 HydrophobicContact CG1-CD2 4.42Å; V72-L83 HydrophobicContact CG2-CD2 4.46Å; G79-L83 PolarHBondContact O-N 3.44Å; K80-L83 WeakPolarHBondContact O-CA 3.25Å; K80-L83 WeakPolarHBondContact O-CB 3.44Å; K80-L83 PolarHBondContact O-N 2.95Å; S81-L83 VanDerWaalsContact C-N 3.32Å; S81-L83 PolarHBondContact O-N 3.4Å; L83-D85 VanDerWaalsContact C-N 3.25Å; L83-D85 PolarHBondContact O-N 3.4Å; L83-F86 PolarHBondContact O-N 3.5Å; L83-F86 VanDerWaalsContact O-N 3.12Å; L83-M87 PolarHBondContact O-N 3.35Å; L83-M87 VanDerWaalsContact O-N 3.11Å; L83-L215 HydrophobicContact CD1-CD2 4.46Å; L83-L215 HydrophobicContact CD2-CD2 3.26Å; L83-L215 HydrophobicContact CG-CD2 4.47Å; L83-L297 HydrophobicContact CD1-CD1 3.96Å; L83-L300 HydrophobicContact CD1-CD2 3.86Å; L83-I301 HydrophobicContact CD1-CD1 3.85Å
84	M	95.8	Very high	93	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60	-34.5	178.9	-74	-81.2	-74.5	0	0	112.2	V72 K80 S81 F86 M87 L88 F110 L144 M145 D146	V72-M84 HydrophobicContact CB-CG 4.18Å; V72-M84 HydrophobicContact CB-SD 4.19Å; V72-M84 HydrophobicContact CG2-CG 3.8Å; V72-M84 HydrophobicContact CG2-SD 3.47Å; V72-M84 WeakPolarHBondContact CG2-SD 3.33Å; K80-M84 PolarHBondContact O-N 2.97Å; S81-M84 WeakPolarHBondContact O-CB 3.47Å; S81-M84 PolarHBondContact O-N 2.81Å; M84-F86 VanDerWaalsContact C-N 3.32Å; M84-F86 PolarHBondContact O-N 3.47Å; M84-M87 CarbonylContact O-C 3.39Å; M84-M87 WeakPolarHBondContact O-CA 3.38Å; M84-M87 VanDerWaalsContact O-CB 3.24Å; M84-M87 WeakPolarHBondContact O-CB 3.35Å; M84-M87 PolarHBondContact O-N 2.7Å; M84-M87 VanDerWaalsContact O-N 3.12Å; M84-M87 HydrophobicContact SD-SD 3.8Å; M84-L88 PolarHBondContact O-N 3.37Å; M84-F110 HydrophobicContact CB-CD2 3.83Å; M84-F110 HydrophobicContact CB-CE2 4.15Å; M84-F110 HydrophobicContact CE-CD2 4.25Å; M84-F110 HydrophobicContact CE-CE2 3.57Å; M84-F110 HydrophobicContact CE-CZ 3.76Å; M84-L144 HydrophobicContact CE-CB 3.85Å; M84-M145 WeakPolarHBondContact CE-O 3.32Å; M84-D146 HydrophobicContact CE-CB 3.94Å
85	D	96.3	Very high	92.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69.4	-30	177	-71.3	0.5	0	0	0	112.8	S81 L83 L88 R89 L107 G109 F110 W112	S81-D85 PolarHBondContact O-N 3.1Å; L83-D85 VanDerWaalsContact C-N 3.25Å; L83-D85 PolarHBondContact O-N 3.4Å; D85-L88 WeakPolarHBondContact O-CB 3.49Å; D85-L88 PolarHBondContact O-N 3.09Å; D85-R89 PolarHBondContact O-N 3.42Å; D85-L107 HydrophobicContact CB-CD1 3.59Å; D85-L107 HydrophobicContact CB-CD2 3.77Å; D85-L107 HydrophobicContact CB-CG 3.49Å; D85-L107 VanDerWaalsContact CB-CG 3.49Å; D85-G109 WeakPolarHBondContact OD1-CA 3.24Å; D85-F110 PolarHBondContact OD1-N 2.99Å; D85-W112 PolarHBondContact OD2-NE1 3.21Å
86	F	96.9	Very high	93.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-72.4	-32.3	169	-74.6	-66.9	0	0	0	112.6	F82 L83 M84 L88 R89 Y90 V100 L107 L286 I289 L297 I301	F82-F86 HydrophobicContact CD1-CE2 4.28Å; F82-F86 HydrophobicContact CD2-CE2 4.42Å; F82-F86 HydrophobicContact CE1-CD2 4.33Å; F82-F86 AromaticContact CE1-CE2 3.73Å; F82-F86 HydrophobicContact CE1-CE2 3.73Å; F82-F86 AromaticContact CE2-CE2 3.87Å; F82-F86 HydrophobicContact CE2-CE2 3.87Å; F82-F86 AromaticContact CZ-CE2 3.53Å; F82-F86 HydrophobicContact CZ-CE2 3.53Å; F82-F86 HydrophobicContact CZ-CZ 4.28Å; F82-F86 VanDerWaalsContact O-CD2 3.26Å; F82-F86 WeakPolarHBondContact O-CD2 3.29Å; L83-F86 PolarHBondContact O-N 3.5Å; L83-F86 VanDerWaalsContact O-N 3.12Å; M84-F86 VanDerWaalsContact C-N 3.32Å; M84-F86 PolarHBondContact O-N 3.47Å; F86-L88 VanDerWaalsContact C-N 3.31Å; F86-R89 PolarHBondContact O-N 3.37Å; F86-Y90 PolarHBondContact O-N 3.28Å; F86-V100 HydrophobicContact CE1-CG2 4.5Å; F86-L107 HydrophobicContact CD1-CD1 4.08Å; F86-L107 HydrophobicContact CD2-CD1 4.43Å; F86-L107 HydrophobicContact CD2-CD2 4.03Å; F86-L107 HydrophobicContact CE1-CD1 3.93Å; F86-L107 HydrophobicContact CE2-CD1 4.31Å; F86-L107 HydrophobicContact CE2-CD2 3.61Å; F86-L107 HydrophobicContact CG-CD1 4.32Å; F86-L107 HydrophobicContact CZ-CD1 4.06Å; F86-L107 HydrophobicContact CZ-CD2 3.95Å; F86-L286 HydrophobicContact CE1-CD2 3.6Å; F86-L286 HydrophobicContact CZ-CD2 3.84Å; F86-I289 HydrophobicContact CZ-CD1 3.98Å; F86-L297 HydrophobicContact CB-CD1 4.38Å; F86-L297 HydrophobicContact CB-CD2 4.23Å; F86-L297 HydrophobicContact CD1-CD2 3.83Å; F86-L297 HydrophobicContact CD2-CD2 3.76Å; F86-L297 HydrophobicContact CE1-CD2 4.11Å; F86-L297 HydrophobicContact CE2-CD2 4.02Å; F86-L297 HydrophobicContact CG-CD2 3.66Å; F86-L297 HydrophobicContact CZ-CD2 4.19Å; F86-I301 HydrophobicContact CB-CG1 4.49Å
87	M	97.5	Very high	93.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-43.2	168.4	-66.6	177.6	157.8	0	0	110.6	V70 V72 L83 M84 Y90 M91 L144 I301 L304 L305	V70-M87 HydrophobicContact CG1-CE 4.39Å; V72-M87 HydrophobicContact CG2-CE 4.43Å; V72-M87 HydrophobicContact CG2-SD 4.33Å; L83-M87 PolarHBondContact O-N 3.35Å; L83-M87 VanDerWaalsContact O-N 3.11Å; M84-M87 CarbonylContact O-C 3.39Å; M84-M87 WeakPolarHBondContact O-CA 3.38Å; M84-M87 VanDerWaalsContact O-CB 3.24Å; M84-M87 WeakPolarHBondContact O-CB 3.35Å; M84-M87 PolarHBondContact O-N 2.7Å; M84-M87 VanDerWaalsContact O-N 3.12Å; M84-M87 HydrophobicContact SD-SD 3.8Å; M87-Y90 WeakPolarHBondContact O-CB 3.43Å; M87-Y90 PolarHBondContact O-N 3.11Å; M87-M91 VanDerWaalsContact O-CG 3.28Å; M87-M91 WeakPolarHBondContact O-CG 3.26Å; M87-M91 PolarHBondContact O-N 3.33Å; M87-L144 HydrophobicContact CB-CD1 4.23Å; M87-I301 HydrophobicContact CE-CD1 4.49Å; M87-I301 HydrophobicContact CG-CD1 3.76Å; M87-I301 HydrophobicContact CG-CG2 4.34Å; M87-L304 HydrophobicContact CE-CB 4.47Å; M87-L304 HydrophobicContact CE-CD1 3.32Å; M87-L304 HydrophobicContact CE-CG 4.49Å; M87-L305 HydrophobicContact CB-CD1 3.62Å; M87-L305 HydrophobicContact CG-CD1 3.72Å; M87-L305 HydrophobicContact SD-CD1 4.35Å
88	L	96.9	Very high	93.5	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-48	175.4	-73	171.3	0	0	0	112	M84 D85 F86 Y90 M91 Y92 F110 W126 F130 L144	M84-L88 PolarHBondContact O-N 3.37Å; D85-L88 WeakPolarHBondContact O-CB 3.49Å; D85-L88 PolarHBondContact O-N 3.09Å; F86-L88 VanDerWaalsContact C-N 3.31Å; L88-Y90 VanDerWaalsContact C-N 3.29Å; L88-Y90 PolarHBondContact O-N 3.32Å; L88-M91 PolarHBondContact O-N 3.45Å; L88-M91 VanDerWaalsContact O-N 3.11Å; L88-Y92 HydrophobicContact CD2-CE2 4.37Å; L88-Y92 VanDerWaalsContact O-CD2 3.26Å; L88-Y92 WeakPolarHBondContact O-CD2 3.42Å; L88-Y92 PolarHBondContact O-N 3.25Å; L88-F110 HydrophobicContact CD1-CD2 3.85Å; L88-F110 HydrophobicContact CD1-CE2 3.84Å; L88-F110 HydrophobicContact CG-CE2 4.33Å; L88-W126 HydrophobicContact CD1-CD2 3.95Å; L88-W126 HydrophobicContact CD1-CE3 3.68Å; L88-W126 HydrophobicContact CD1-CH2 3.9Å; L88-W126 HydrophobicContact CD1-CZ2 4.14Å; L88-W126 HydrophobicContact CD1-CZ3 3.65Å; L88-W126 HydrophobicContact CD2-CB 4.31Å; L88-W126 HydrophobicContact CD2-CD2 3.58Å; L88-W126 HydrophobicContact CD2-CE3 4.16Å; L88-W126 HydrophobicContact CD2-CG 3.62Å; L88-W126 HydrophobicContact CD2-CZ2 4.33Å; L88-W126 HydrophobicContact CG-CD2 4.45Å; L88-F130 HydrophobicContact CD2-CE2 4.14Å; L88-F130 HydrophobicContact CD2-CZ 3.95Å; L88-L144 HydrophobicContact CD2-CD1 3.68Å; L88-L144 HydrophobicContact CG-CD1 4.1Å
89	R	96.6	Very high	93.8	Very high	19 Å²	19	40.8 Å²	40.8	7%	0.072	22%	0.215	C	C	.	.	H	α-helix	trans	-54.9	-45.4	174.9	-72.2	-169.3	178.3	-172.6	-1.4	111.7	D85 F86 Y92 N93 V100 E105 P106	D85-R89 PolarHBondContact O-N 3.42Å; F86-R89 PolarHBondContact O-N 3.37Å; R89-Y92 PolarHBondContact O-N 3.16Å; R89-N93 WeakPolarHBondContact O-CB 3.44Å; R89-N93 PolarHBondContact O-N 2.7Å; R89-N93 PolarHBondContact O-OD1 3.01Å; R89-V100 WeakPolarHBondContact CD-O 3.35Å; R89-V100 PolarHBondContact NH1-O 3.25Å; R89-E105 PolarHBondContact NH2-O 3.33Å; R89-P106 VanDerWaalsContact NH2-C 3.31Å; R89-P106 PolarHBondContact NH2-O 3.48Å
90	Y	97.1	Very high	94	Very high	18 Å²	18	39.4 Å²	39.4	7%	0.071	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-50.1	174.7	-178.7	-107.4	0	0	0	111.6	F86 M87 L88 Y92 N93 Q94 W99 I301 P302 L305	F86-Y90 PolarHBondContact O-N 3.28Å; M87-Y90 WeakPolarHBondContact O-CB 3.43Å; M87-Y90 PolarHBondContact O-N 3.11Å; L88-Y90 VanDerWaalsContact C-N 3.29Å; L88-Y90 PolarHBondContact O-N 3.32Å; Y90-Y92 VanDerWaalsContact C-N 3.3Å; Y90-Y92 PolarHBondContact O-N 3.27Å; Y90-N93 CarbonylContact O-C 3.54Å; Y90-N93 PolarHBondContact O-N 2.93Å; Y90-N93 VanDerWaalsContact O-N 3.09Å; Y90-Q94 HydrophobicContact CD1-CG 4.13Å; Y90-Q94 HydrophobicContact CE1-CG 3.98Å; Y90-Q94 HydrophobicContact CG-CG 4.49Å; Y90-Q94 WeakPolarHBondContact O-CA 3.41Å; Y90-Q94 WeakPolarHBondContact O-CG 3.45Å; Y90-Q94 PolarHBondContact O-N 3.42Å; Y90-W99 HydrophobicContact CD2-CB 4.34Å; Y90-W99 AromaticContact CD2-CD1 3.92Å; Y90-W99 AromaticContact CD2-CD2 3.53Å; Y90-W99 HydrophobicContact CD2-CD2 3.53Å; Y90-W99 AromaticContact CD2-CE2 3.69Å; Y90-W99 AromaticContact CD2-CE3 3.95Å; Y90-W99 HydrophobicContact CD2-CE3 3.95Å; Y90-W99 AromaticContact CD2-CG 3.7Å; Y90-W99 HydrophobicContact CD2-CG 3.7Å; Y90-W99 HydrophobicContact CD2-CZ2 4.24Å; Y90-W99 AromaticContact CD2-NE1 3.9Å; Y90-W99 HydrophobicContact CE2-CD2 4.47Å; Y90-W99 HydrophobicContact CE2-CG 4.38Å; Y90-W99 HydrophobicContact CG-CD2 4.29Å; Y90-W99 HydrophobicContact CG-CE3 4.25Å; Y90-I301 VanDerWaalsContact CB-CG2 3.41Å; Y90-I301 HydrophobicContact CD1-CG2 3.95Å; Y90-I301 HydrophobicContact CD2-CG2 4.4Å; Y90-I301 HydrophobicContact CG-CG2 3.67Å; Y90-P302 HydrophobicContact CD2-CG 4.33Å; Y90-P302 HydrophobicContact CE2-CB 4.2Å; Y90-P302 HydrophobicContact CE2-CG 3.84Å; Y90-L305 HydrophobicContact CD1-CB 3.69Å; Y90-L305 HydrophobicContact CD1-CD1 4.16Å; Y90-L305 HydrophobicContact CE1-CB 3.64Å
91	M	96.2	Very high	94	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.049	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-36.1	-177.6	-66.2	-54.8	-65.7	0	0	113.4	M87 L88 Q94 F130 I132 V142 L144 L305	M87-M91 VanDerWaalsContact O-CG 3.28Å; M87-M91 WeakPolarHBondContact O-CG 3.26Å; M87-M91 PolarHBondContact O-N 3.33Å; L88-M91 PolarHBondContact O-N 3.45Å; L88-M91 VanDerWaalsContact O-N 3.11Å; M91-Q94 VanDerWaalsContact CE-NE2 3.31Å; M91-Q94 PolarHBondContact SD-NE2 3.34Å; M91-F130 HydrophobicContact CB-CD1 3.81Å; M91-F130 HydrophobicContact CB-CD2 3.94Å; M91-F130 HydrophobicContact CB-CE1 3.68Å; M91-F130 HydrophobicContact CB-CE2 3.82Å; M91-F130 HydrophobicContact CB-CG 3.94Å; M91-F130 HydrophobicContact CB-CZ 3.68Å; M91-F130 HydrophobicContact CE-CB 3.43Å; M91-F130 VanDerWaalsContact CE-CB 3.43Å; M91-F130 HydrophobicContact CE-CD1 4.42Å; M91-F130 HydrophobicContact CE-CD2 3.81Å; M91-F130 HydrophobicContact CE-CG 3.64Å; M91-F130 HydrophobicContact CG-CD2 4.11Å; M91-F130 HydrophobicContact CG-CE2 4.13Å; M91-F130 HydrophobicContact CG-CG 4.43Å; M91-F130 HydrophobicContact CG-CZ 4.47Å; M91-I132 HydrophobicContact CE-CD1 3.94Å; M91-I132 HydrophobicContact CE-CG1 3.86Å; M91-V142 HydrophobicContact CE-CB 3.79Å; M91-V142 HydrophobicContact CE-CG1 3.75Å; M91-V142 HydrophobicContact CE-CG2 4.06Å; M91-L144 HydrophobicContact CG-CD1 4.21Å; M91-L305 HydrophobicContact CG-CD1 4.19Å; M91-L305 HydrophobicContact SD-CB 4.16Å; M91-L305 HydrophobicContact SD-CD1 3.92Å; M91-L305 HydrophobicContact SD-CG 4.46Å
92	Y	95.9	Very high	94	Very high	92 Å²	92	43.7 Å²	43.7	36%	0.361	23%	0.228	S	C	.	.	H	α-helix	trans	-77.2	-26.7	175.5	-78.8	-65.9	0	0	0	113.7	A32 L88 R89 Y90 W126 E128 F130	A32-Y92 VanDerWaalsContact CB-OH 3.3Å; A32-Y92 WeakPolarHBondContact CB-OH 3.33Å; L88-Y92 HydrophobicContact CD2-CE2 4.37Å; L88-Y92 VanDerWaalsContact O-CD2 3.26Å; L88-Y92 WeakPolarHBondContact O-CD2 3.42Å; L88-Y92 PolarHBondContact O-N 3.25Å; R89-Y92 PolarHBondContact O-N 3.16Å; Y90-Y92 VanDerWaalsContact C-N 3.3Å; Y90-Y92 PolarHBondContact O-N 3.27Å; Y92-W126 HydrophobicContact CE2-CZ2 4.39Å; Y92-W126 AromaticContact CE2-NE1 3.88Å; Y92-W126 AromaticContact CZ-NE1 3.78Å; Y92-W126 PolarHBondContact OH-NE1 3.38Å; Y92-E128 VanDerWaalsContact CE1-OE2 3.23Å; Y92-E128 WeakPolarHBondContact CE1-OE2 3.31Å; Y92-E128 VanDerWaalsContact CZ-OE2 3.31Å; Y92-E128 PolarHBondContact OH-OE2 2.92Å; Y92-F130 AromaticContact CD1-CE1 3.94Å; Y92-F130 HydrophobicContact CD1-CE1 3.94Å; Y92-F130 HydrophobicContact CD2-CE1 4.16Å; Y92-F130 HydrophobicContact CD2-CZ 4.25Å; Y92-F130 AromaticContact CE1-CE1 3.73Å; Y92-F130 HydrophobicContact CE1-CE1 3.73Å; Y92-F130 HydrophobicContact CE1-CZ 4.36Å; Y92-F130 AromaticContact CE2-CE1 3.96Å; Y92-F130 HydrophobicContact CE2-CE1 3.96Å; Y92-F130 AromaticContact CE2-CZ 3.83Å; Y92-F130 HydrophobicContact CE2-CZ 3.83Å; Y92-F130 HydrophobicContact CG-CE1 4.14Å; Y92-F130 AromaticContact CZ-CE1 3.74Å; Y92-F130 AromaticContact CZ-CZ 3.88Å
93	N	94.3	Very high	93.9	Very high	78 Å²	78	47.7 Å²	47.7	42%	0.417	24%	0.243	S	C	.	.	S	Bend	trans	-124.6	28.1	-170.4	-58.9	98.3	0	0	0	113.4	R89 Y90 E95 S96 W99	R89-N93 WeakPolarHBondContact O-CB 3.44Å; R89-N93 PolarHBondContact O-N 2.7Å; R89-N93 PolarHBondContact O-OD1 3.01Å; Y90-N93 CarbonylContact O-C 3.54Å; Y90-N93 PolarHBondContact O-N 2.93Å; Y90-N93 VanDerWaalsContact O-N 3.09Å; N93-E95 PolarHBondContact O-N 3.29Å; N93-E95 VanDerWaalsContact O-N 3.09Å; N93-S96 WeakPolarHBondContact O-CB 3.32Å; N93-S96 PolarHBondContact O-N 3.03Å; N93-W99 HydrophobicContact CB-CB 3.98Å; N93-W99 VanDerWaalsContact O-CB 3.28Å; N93-W99 WeakPolarHBondContact O-CB 3.27Å
94	Q	89.3	Confident	93.9	Very high	48 Å²	48	51.9 Å²	51.9	22%	0.224	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-32.5	-173.1	-65.1	-171.1	0.6	0	0	114.3	Y90 M91 S96	Y90-Q94 HydrophobicContact CD1-CG 4.13Å; Y90-Q94 HydrophobicContact CE1-CG 3.98Å; Y90-Q94 HydrophobicContact CG-CG 4.49Å; Y90-Q94 WeakPolarHBondContact O-CA 3.41Å; Y90-Q94 WeakPolarHBondContact O-CG 3.45Å; Y90-Q94 PolarHBondContact O-N 3.42Å; M91-Q94 VanDerWaalsContact CE-NE2 3.31Å; M91-Q94 PolarHBondContact SD-NE2 3.34Å; Q94-S96 VanDerWaalsContact C-N 3.31Å
95	E	87.8	Confident	93.7	Very high	202 Å²	202	56.1 Å²	56.1	94%	0.944	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-13.3	-179.9	-59.6	-174.2	171.6	0	0	113	N93	N93-E95 PolarHBondContact O-N 3.29Å; N93-E95 VanDerWaalsContact O-N 3.09Å
96	S	91.9	Very high	93.6	Very high	56 Å²	56	58.8 Å²	58.8	39%	0.392	30%	0.303	S	S	.	.			trans	-85.2	134	178	-174.8	0	0	0	0	111.1	N93 Q94 D98 W99	N93-S96 WeakPolarHBondContact O-CB 3.32Å; N93-S96 PolarHBondContact O-N 3.03Å; Q94-S96 VanDerWaalsContact C-N 3.31Å; S96-D98 PolarHBondContact O-N 3.4Å; S96-D98 PolarHBondContact OG-N 2.95Å; S96-W99 PolarHBondContact O-N 3.01Å
97	V	87.5	Confident	93.5	Very high	133 Å²	133	59.1 Å²	59.1	81%	0.806	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.4	171.7	-178.8	0	0	0	0	110.9
98	D	91.5	Very high	93.3	Very high	108 Å²	108	63.9 Å²	63.9	58%	0.578	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	42.9	178.9	-67.6	-50.6	0	0	0	111.8	S96 V100 G101	S96-D98 PolarHBondContact O-N 3.4Å; S96-D98 PolarHBondContact OG-N 2.95Å; D98-V100 PolarHBondContact O-N 3.3Å; D98-G101 PolarHBondContact O-N 3.45Å
99	W	95.2	Very high	93.1	Very high	20 Å²	20	64.7 Å²	64.7	8%	0.076	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-21.3	177.8	66.7	-101	0	0	0	114.2	Y90 N93 S96 G101 K298 I301 P302	Y90-W99 HydrophobicContact CD2-CB 4.34Å; Y90-W99 AromaticContact CD2-CD1 3.92Å; Y90-W99 AromaticContact CD2-CD2 3.53Å; Y90-W99 HydrophobicContact CD2-CD2 3.53Å; Y90-W99 AromaticContact CD2-CE2 3.69Å; Y90-W99 AromaticContact CD2-CE3 3.95Å; Y90-W99 HydrophobicContact CD2-CE3 3.95Å; Y90-W99 AromaticContact CD2-CG 3.7Å; Y90-W99 HydrophobicContact CD2-CG 3.7Å; Y90-W99 HydrophobicContact CD2-CZ2 4.24Å; Y90-W99 AromaticContact CD2-NE1 3.9Å; Y90-W99 HydrophobicContact CE2-CD2 4.47Å; Y90-W99 HydrophobicContact CE2-CG 4.38Å; Y90-W99 HydrophobicContact CG-CD2 4.29Å; Y90-W99 HydrophobicContact CG-CE3 4.25Å; N93-W99 HydrophobicContact CB-CB 3.98Å; N93-W99 VanDerWaalsContact O-CB 3.28Å; N93-W99 WeakPolarHBondContact O-CB 3.27Å; S96-W99 PolarHBondContact O-N 3.01Å; W99-G101 PolarHBondContact O-N 2.99Å; W99-G101 VanDerWaalsContact O-N 3.1Å; W99-K298 HydrophobicContact CZ2-CG 4.43Å; W99-I301 HydrophobicContact CH2-CB 3.49Å; W99-I301 VanDerWaalsContact CH2-CB 3.49Å; W99-I301 HydrophobicContact CH2-CG1 3.61Å; W99-I301 HydrophobicContact CH2-CG2 3.98Å; W99-I301 HydrophobicContact CZ2-CB 3.98Å; W99-I301 HydrophobicContact CZ2-CG1 4.49Å; W99-I301 HydrophobicContact CZ3-CB 4.19Å; W99-I301 HydrophobicContact CZ3-CG1 4.25Å; W99-I301 HydrophobicContact CZ3-CG2 4.22Å; W99-P302 HydrophobicContact CZ2-CG 4.02Å
100	V	93.2	Very high	92.9	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.012	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.2	-178.6	74.2	0	0	0	0	112.6	F86 R89 D98 L286	F86-V100 HydrophobicContact CE1-CG2 4.5Å; R89-V100 WeakPolarHBondContact CD-O 3.35Å; R89-V100 PolarHBondContact NH1-O 3.25Å; D98-V100 PolarHBondContact O-N 3.3Å; V100-L286 HydrophobicContact CB-CD1 4.37Å; V100-L286 HydrophobicContact CG1-CD1 3.8Å; V100-L286 HydrophobicContact CG2-CD1 3.9Å; V100-L286 HydrophobicContact CG2-CD2 4.04Å
101	G	92	Very high	92.5	Very high	19 Å²	19	65.9 Å²	65.9	20%	0.196	36%	0.356	C	S	.	.			trans	96.6	174.1	177.9	0	0	0	0	0	113.6	D98 W99 L286	D98-G101 PolarHBondContact O-N 3.45Å; W99-G101 PolarHBondContact O-N 2.99Å; W99-G101 VanDerWaalsContact O-N 3.1Å; G101-L286 WeakPolarHBondContact O-CD1 3.49Å
102	D	93.1	Very high	92.1	Very high	94 Å²	94	68 Å²	68	50%	0.503	36%	0.364	S	S	.	.			trans	-70.8	146.6	179.1	176.8	-93.7	0	0	0	111.4	N104 E105	D102-N104 PolarHBondContact O-N 3.42Å; D102-N104 WeakPolarHBondContact OD1-CA 3.36Å; D102-N104 WeakPolarHBondContact OD1-CB 3.28Å; D102-N104 PolarHBondContact OD1-N 3.36Å; D102-E105 HydrophobicContact CB-CB 3.98Å; D102-E105 PolarHBondContact N-OE2 3.48Å; D102-E105 WeakPolarHBondContact O-CB 3.23Å; D102-E105 PolarHBondContact O-N 2.99Å; D102-E105 VanDerWaalsContact O-N 3.11Å; D102-E105 PolarHBondContact OD1-N 3.27Å
103	Y	92.3	Very high	91.5	Very high	96 Å²	96	70 Å²	70	38%	0.376	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.8	-174.7	-88.7	-117.1	0	0	0	114.2	L286 K287 I294	Y103-L286 HydrophobicContact CD1-CB 3.95Å; Y103-L286 HydrophobicContact CD2-CB 4.4Å; Y103-L286 HydrophobicContact CD2-CD1 4.05Å; Y103-L286 HydrophobicContact CE1-CB 4.29Å; Y103-L286 HydrophobicContact CE2-CD1 4.2Å; Y103-L286 HydrophobicContact CG-CB 4.02Å; Y103-L286 HydrophobicContact CG-CD1 4.45Å; Y103-L286 PolarHBondContact O-N 2.89Å; Y103-K287 HydrophobicContact CD1-CB 4.39Å; Y103-K287 PolarHBondContact O-N 3.24Å; Y103-I294 HydrophobicContact CE1-CD1 4.42Å
104	N	93.9	Very high	90.6	Very high	89 Å²	89	69 Å²	69	48%	0.476	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-1.8	174.7	-68.8	-64.8	0	0	0	113.3	D102 P106 K285 K287	D102-N104 PolarHBondContact O-N 3.42Å; D102-N104 WeakPolarHBondContact OD1-CA 3.36Å; D102-N104 WeakPolarHBondContact OD1-CB 3.28Å; D102-N104 PolarHBondContact OD1-N 3.36Å; N104-P106 WeakPolarHBondContact O-CD 3.45Å; N104-K285 WeakPolarHBondContact O-CD 3.38Å; N104-K285 WeakPolarHBondContact O-CE 3.29Å; N104-K285 WeakPolarHBondContact O-CG 3.45Å; N104-K287 VanDerWaalsContact OD1-CD 3.25Å; N104-K287 WeakPolarHBondContact OD1-CD 3.42Å; N104-K287 WeakPolarHBondContact OD1-CE 3.27Å; N104-K287 PolarHBondContact OD1-NZ 3.17Å
105	E	93.2	Very high	90.2	Very high	90 Å²	90	69.6 Å²	69.6	42%	0.421	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-79.1	124	-180	-174.9	-177.8	-168.4	0	0	111.3	R89 D102	R89-E105 PolarHBondContact NH2-O 3.33Å; D102-E105 HydrophobicContact CB-CB 3.98Å; D102-E105 PolarHBondContact N-OE2 3.48Å; D102-E105 WeakPolarHBondContact O-CB 3.23Å; D102-E105 PolarHBondContact O-N 2.99Å; D102-E105 VanDerWaalsContact O-N 3.11Å; D102-E105 PolarHBondContact OD1-N 3.27Å
106	P	94.1	Very high	89.8	Confident	55 Å²	55	64.5 Å²	64.5	36%	0.357	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-59.9	149.8	172.5	-21.1	32.7	0	0	0	112.5	R89 N104 D283	R89-P106 VanDerWaalsContact NH2-C 3.31Å; R89-P106 PolarHBondContact NH2-O 3.48Å; N104-P106 WeakPolarHBondContact O-CD 3.45Å; P106-D283 WeakPolarHBondContact CA-O 3.34Å; P106-D283 HydrophobicContact CB-CB 4.44Å
107	L	94.1	Very high	89.2	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.042	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-83.6	124.3	176.2	-171	66	0	0	0	109.5	F82 D85 F86 W112 D283	F82-L107 HydrophobicContact CD2-CD2 3.5Å; F82-L107 HydrophobicContact CE2-CD2 3.71Å; F82-L107 HydrophobicContact CG-CD2 4.25Å; D85-L107 HydrophobicContact CB-CD1 3.59Å; D85-L107 HydrophobicContact CB-CD2 3.77Å; D85-L107 HydrophobicContact CB-CG 3.49Å; D85-L107 VanDerWaalsContact CB-CG 3.49Å; F86-L107 HydrophobicContact CD1-CD1 4.08Å; F86-L107 HydrophobicContact CD2-CD1 4.43Å; F86-L107 HydrophobicContact CD2-CD2 4.03Å; F86-L107 HydrophobicContact CE1-CD1 3.93Å; F86-L107 HydrophobicContact CE2-CD1 4.31Å; F86-L107 HydrophobicContact CE2-CD2 3.61Å; F86-L107 HydrophobicContact CG-CD1 4.32Å; F86-L107 HydrophobicContact CZ-CD1 4.06Å; F86-L107 HydrophobicContact CZ-CD2 3.95Å; L107-W112 HydrophobicContact CB-CZ2 3.95Å; L107-W112 HydrophobicContact CD2-CZ2 4.36Å; L107-W112 PolarHBondContact O-NE1 2.94Å; L107-D283 PolarHBondContact N-O 2.89Å
108	T	92.9	Very high	88.9	Confident	100 Å²	100	62.6 Å²	62.6	61%	0.613	36%	0.358	S	S	*	.			trans	-132.8	151	-178.5	64.9	0	0	0	0	110.4
109	G	93.2	Very high	88.3	Confident	21 Å²	21	60.5 Å²	60.5	22%	0.216	35%	0.345	C	S	.	.	S	Bend	trans	155.4	-120.5	-174.5	0	0	0	0	0	111	D85	D85-G109 WeakPolarHBondContact OD1-CA 3.24Å
110	F	92.6	Very high	87.6	Confident	3 Å²	3	60.2 Å²	60.2	1%	0.013	35%	0.345	C	S	.	.	S	Bend	trans	-64.3	147.3	169.6	-65.5	-85.5	0	0	0	110.3	P34 M84 D85 L88 W112 Q124 W126 D146	P34-F110 HydrophobicContact CB-CD1 3.63Å; P34-F110 HydrophobicContact CB-CE1 3.97Å; P34-F110 HydrophobicContact CB-CG 4.44Å; M84-F110 HydrophobicContact CB-CD2 3.83Å; M84-F110 HydrophobicContact CB-CE2 4.15Å; M84-F110 HydrophobicContact CE-CD2 4.25Å; M84-F110 HydrophobicContact CE-CE2 3.57Å; M84-F110 HydrophobicContact CE-CZ 3.76Å; D85-F110 PolarHBondContact OD1-N 2.99Å; L88-F110 HydrophobicContact CD1-CD2 3.85Å; L88-F110 HydrophobicContact CD1-CE2 3.84Å; L88-F110 HydrophobicContact CG-CE2 4.33Å; F110-W112 PolarHBondContact O-N 3.49Å; F110-Q124 HydrophobicContact CD1-CB 4.26Å; F110-Q124 HydrophobicContact CE1-CB 4.1Å; F110-W126 HydrophobicContact CD2-CE3 4.33Å; F110-W126 HydrophobicContact CE1-CE3 4.36Å; F110-W126 AromaticContact CE2-CE3 3.94Å; F110-W126 HydrophobicContact CE2-CE3 3.94Å; F110-W126 HydrophobicContact CZ-CB 3.99Å; F110-W126 AromaticContact CZ-CE3 3.96Å; F110-W126 HydrophobicContact CZ-CE3 3.96Å; F110-D146 HydrophobicContact CD1-CB 3.72Å; F110-D146 HydrophobicContact CE1-CB 3.85Å; F110-D146 HydrophobicContact CG-CB 4.14Å; F110-D146 HydrophobicContact CZ-CB 4.36Å
111	S	89.4	Confident	87.3	Confident	59 Å²	59	62.6 Å²	62.6	41%	0.413	36%	0.36	S	S	.	.			trans	-64.5	122.4	178.3	-171.6	0	0	0	0	110	E119	S111-E119 PolarHBondContact OG-OE1 3.1Å
112	W	87.6	Confident	87.2	Confident	55 Å²	55	61.7 Å²	61.7	21%	0.208	35%	0.351	C	S	.	.			trans	-135.2	143.8	173.3	68.9	-88.4	0	0	0	109.9	F82 D85 L107 F110 F282	F82-W112 HydrophobicContact CD2-CD2 4.29Å; F82-W112 HydrophobicContact CD2-CE3 4.2Å; F82-W112 HydrophobicContact CD2-CH2 4.4Å; F82-W112 HydrophobicContact CD2-CZ2 4.48Å; F82-W112 HydrophobicContact CD2-CZ3 4.25Å; D85-W112 PolarHBondContact OD2-NE1 3.21Å; L107-W112 HydrophobicContact CB-CZ2 3.95Å; L107-W112 HydrophobicContact CD2-CZ2 4.36Å; L107-W112 PolarHBondContact O-NE1 2.94Å; F110-W112 PolarHBondContact O-N 3.49Å; W112-F282 AromaticContact CH2-CD1 3.69Å; W112-F282 HydrophobicContact CH2-CD1 3.69Å; W112-F282 AromaticContact CH2-CE1 3.58Å; W112-F282 HydrophobicContact CH2-CE1 3.58Å; W112-F282 AromaticContact CZ3-CD1 3.8Å; W112-F282 HydrophobicContact CZ3-CD1 3.8Å; W112-F282 AromaticContact CZ3-CE1 3.82Å; W112-F282 HydrophobicContact CZ3-CE1 3.82Å
113	R	82.6	Confident	87.4	Confident	134 Å²	134	57.2 Å²	57.2	51%	0.506	33%	0.327	S	S	.	.			trans	-156.9	162.9	173.3	59.7	168.1	173.9	133.8	5.7	111.6	R77 E119	R77-R113 PolarHBondContact NH1-O 2.94Å; R113-E119 HydrophobicContact CG-CG 4.43Å; R113-E119 IonicContact CZ-OE2 3.3Å; R113-E119 IonicContact NE-OE1 3.34Å; R113-E119 IonicContact NE-OE2 3.24Å; R113-E119 PolarHBondContact NE-OE2 3.01Å; R113-E119 IonicContact NH2-OE2 2.7Å; R113-E119 PolarHBondContact NH2-OE2 3.3Å
114	G	76.1	Confident	87.5	Confident	58 Å²	58	54 Å²	54	60%	0.598	32%	0.315	S	S	*	.			trans	-68.8	-175.8	164.8	0	0	0	0	0	113
115	G	80.2	Confident	87.7	Confident	59 Å²	59	49.8 Å²	49.8	61%	0.608	29%	0.293	S	S	*	.	S	Bend	trans	98.9	167.6	-179.2	0	0	0	0	0	114.1	R77	R77-G115 WeakPolarHBondContact CD-O 3.32Å; R77-G115 PolarHBondContact NE-O 3.46Å; R77-G115 VanDerWaalsContact NE-O 3.09Å
116	S	79.8	Confident	87.9	Confident	95 Å²	95	46.2 Å²	46.2	66%	0.664	28%	0.275	S	S	*	.	S	Bend	trans	-90.6	-24.2	-172.5	54.9	0	0	0	0	115	F76	F76-S116 WeakPolarHBondContact CE2-O 3.27Å
117	E	79.6	Confident	88	Confident	95 Å²	95	45.5 Å²	45.5	44%	0.444	27%	0.272	S	S	.	.	S	Bend	trans	-70.9	180	-178.9	-68.5	-51.9	127.4	0	0	111.9	R77	R77-E117 PolarHBondContact NE-O 3.33Å; R77-E117 VanDerWaalsContact NH2-C 3.32Å; R77-E117 PolarHBondContact NH2-O 3.4Å
118	R	81.4	Confident	88.1	Confident	54 Å²	54	49.2 Å²	49.2	20%	0.204	29%	0.289	C	S	.	.			trans	-86.8	166.1	171.3	65.3	-170.9	175.1	-177.9	1.4	112.6	R77 D152 Q154 S155	R77-R118 PolarHBondContact NH2-O 3.24Å; R118-D152 WeakPolarHBondContact CD-OD2 3.38Å; R118-D152 IonicContact CZ-OD2 2.6Å; R118-D152 IonicContact NE-OD2 3.3Å; R118-D152 IonicContact NH1-OD1 2.59Å; R118-D152 PolarHBondContact NH1-OD1 3.06Å; R118-D152 IonicContact NH1-OD2 3Å; R118-D152 PolarHBondContact NH1-OD2 3.22Å; R118-Q154 VanDerWaalsContact CZ-CB 3.42Å; R118-S155 PolarHBondContact NH1-OG 2.97Å
119	E	78.3	Confident	88.3	Confident	65 Å²	65	45.3 Å²	45.3	30%	0.304	27%	0.265	S	S	.	.			trans	-126.8	-65.4	175.2	-172.4	64.6	-172.5	0	0	110.5	S111 R113	S111-E119 PolarHBondContact OG-OE1 3.1Å; R113-E119 HydrophobicContact CG-CG 4.43Å; R113-E119 IonicContact CZ-OE2 3.3Å; R113-E119 IonicContact NE-OE1 3.34Å; R113-E119 IonicContact NE-OE2 3.24Å; R113-E119 PolarHBondContact NE-OE2 3.01Å; R113-E119 IonicContact NH2-OE2 2.7Å; R113-E119 PolarHBondContact NH2-OE2 3.3Å
120	T	80.6	Confident	88.4	Confident	13 Å²	13	44.9 Å²	44.9	8%	0.08	26%	0.257	C	S	.	.			trans	-72.4	128.6	175.8	-40.8	0	0	0	0	110.5	S81 Q124 D146 Q148	S81-T120 PolarHBondContact OG-OG1 3.26Å; T120-Q124 HydrophobicContact CG2-CG 4.36Å; T120-D146 PolarHBondContact OG1-OD2 3.32Å; T120-Q148 WeakPolarHBondContact O-CG 3.5Å
121	T	85.9	Confident	88.6	Confident	52 Å²	52	47.5 Å²	47.5	32%	0.319	27%	0.271	S	S	.	.			trans	-114.2	148.7	170.8	55	0	0	0	0	109.3	Q36 I123	Q36-T121 PolarHBondContact NE2-O 3.45Å; Q36-T121 PolarHBondContact OE1-O 2.91Å; T121-I123 PolarHBondContact O-N 3.37Å
122	G	91.3	Very high	88.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	52.2	-129	-178	0	0	0	0	0	114.6	L38 Q148	L38-G122 WeakPolarHBondContact O-CA 3.25Å; G122-Q148 WeakPolarHBondContact O-CB 3.46Å; G122-Q148 PolarHBondContact O-N 2.91Å
123	I	95.5	Very high	89.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129	179.3	-61	176	0	0	0	109.6	Q36 V37 L38 T121 M145 T147 V163 L166 F329	Q36-I123 PolarHBondContact NE2-O 3.42Å; Q36-I123 VanDerWaalsContact NE2-O 3.13Å; V37-I123 HydrophobicContact CG2-CB 4.28Å; V37-I123 HydrophobicContact CG2-CG2 3.96Å; V37-I123 VanDerWaalsContact CG2-O 3.25Å; V37-I123 WeakPolarHBondContact CG2-O 3.23Å; V37-I123 PolarHBondContact N-O 3.07Å; L38-I123 HydrophobicContact CB-CB 3.72Å; L38-I123 HydrophobicContact CB-CD1 4.28Å; L38-I123 HydrophobicContact CB-CG1 4.03Å; L38-I123 HydrophobicContact CD2-CB 4.47Å; L38-I123 HydrophobicContact CD2-CD1 3.71Å; L38-I123 HydrophobicContact CD2-CG1 3.83Å; L38-I123 PolarHBondContact N-O 3.04Å; L38-I123 VanDerWaalsContact N-O 3.14Å; L38-I123 PolarHBondContact O-N 3.45Å; L38-I123 VanDerWaalsContact O-N 3.11Å; T121-I123 PolarHBondContact O-N 3.37Å; I123-M145 HydrophobicContact CD1-SD 4.39Å; I123-M145 HydrophobicContact CG2-CG 3.27Å; I123-M145 HydrophobicContact CG2-SD 3.44Å; I123-M145 WeakPolarHBondContact CG2-SD 3.49Å; I123-T147 HydrophobicContact CG1-CG2 4.44Å; I123-V163 HydrophobicContact CD1-CG1 4.49Å; I123-V163 HydrophobicContact CG1-CG1 3.99Å; I123-L166 HydrophobicContact CD1-CB 4.07Å; I123-F329 HydrophobicContact CD1-CZ 4.43Å
124	Q	95.9	Very high	89.8	Confident	28 Å²	28	42.8 Å²	42.8	13%	0.131	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.9	172.9	-64.7	-178.4	-3.4	0	0	110	V35 F110 T120 M145 D146	V35-Q124 CarbonylContact O-C 3.58Å; V35-Q124 WeakPolarHBondContact O-CA 3.28Å; F110-Q124 HydrophobicContact CD1-CB 4.26Å; F110-Q124 HydrophobicContact CE1-CB 4.1Å; T120-Q124 HydrophobicContact CG2-CG 4.36Å; Q124-M145 CarbonylContact O-C 3.58Å; Q124-M145 WeakPolarHBondContact O-CA 3.33Å; Q124-D146 PolarHBondContact N-O 2.99Å; Q124-D146 PolarHBondContact O-N 2.81Å
125	I	96.8	Very high	90.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	153.2	170.6	61.4	172.5	0	0	0	110.2	V35 V37 L53 I56 L143 L144 M145	V35-I125 PolarHBondContact N-O 2.92Å; V35-I125 PolarHBondContact O-N 2.94Å; V37-I125 HydrophobicContact CG1-CD1 3.58Å; V37-I125 HydrophobicContact CG1-CG1 3.59Å; V37-I125 HydrophobicContact CG2-CG1 4.24Å; V37-I125 HydrophobicContact CG2-CG2 3.92Å; L53-I125 HydrophobicContact CD1-CD1 3.77Å; I56-I125 HydrophobicContact CB-CD1 4.37Å; I56-I125 HydrophobicContact CD1-CD1 3.54Å; I56-I125 HydrophobicContact CD1-CG1 3.85Å; I56-I125 HydrophobicContact CG2-CD1 4.21Å; I125-L143 HydrophobicContact CB-CD1 4.03Å; I125-L143 HydrophobicContact CD1-CD1 4.13Å; I125-L143 HydrophobicContact CG2-CD1 4.29Å; I125-L143 HydrophobicContact CG2-CD2 4.45Å; I125-L143 HydrophobicContact CG2-CG 4.49Å; I125-L144 WeakPolarHBondContact CA-O 3.48Å; I125-M145 HydrophobicContact CG2-CB 4.2Å; I125-M145 HydrophobicContact CG2-CG 4.13Å
126	W	97.6	Very high	91.1	Very high	15 Å²	15	46.1 Å²	46.1	6%	0.057	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	136.4	172	-162.6	-115.3	0	0	0	110.5	A32 G33 P34 L88 Y92 F110 E128 F130 L144	A32-W126 HydrophobicContact CB-CZ2 3.9Å; G33-W126 VanDerWaalsContact C-CZ3 3.48Å; P34-W126 HydrophobicContact CB-CZ3 4.49Å; L88-W126 HydrophobicContact CD1-CD2 3.95Å; L88-W126 HydrophobicContact CD1-CE3 3.68Å; L88-W126 HydrophobicContact CD1-CH2 3.9Å; L88-W126 HydrophobicContact CD1-CZ2 4.14Å; L88-W126 HydrophobicContact CD1-CZ3 3.65Å; L88-W126 HydrophobicContact CD2-CB 4.31Å; L88-W126 HydrophobicContact CD2-CD2 3.58Å; L88-W126 HydrophobicContact CD2-CE3 4.16Å; L88-W126 HydrophobicContact CD2-CG 3.62Å; L88-W126 HydrophobicContact CD2-CZ2 4.33Å; L88-W126 HydrophobicContact CG-CD2 4.45Å; Y92-W126 HydrophobicContact CE2-CZ2 4.39Å; Y92-W126 AromaticContact CE2-NE1 3.88Å; Y92-W126 AromaticContact CZ-NE1 3.78Å; Y92-W126 PolarHBondContact OH-NE1 3.38Å; F110-W126 HydrophobicContact CD2-CE3 4.33Å; F110-W126 HydrophobicContact CE1-CE3 4.36Å; F110-W126 AromaticContact CE2-CE3 3.94Å; F110-W126 HydrophobicContact CE2-CE3 3.94Å; F110-W126 HydrophobicContact CZ-CB 3.99Å; F110-W126 AromaticContact CZ-CE3 3.96Å; F110-W126 HydrophobicContact CZ-CE3 3.96Å; W126-E128 PolarHBondContact O-N 2.87Å; W126-F130 AromaticContact CD1-CE2 3.96Å; W126-F130 AromaticContact CD1-CZ 3.87Å; W126-L144 HydrophobicContact CB-CB 4.49Å; W126-L144 PolarHBondContact N-O 3.38Å; W126-L144 VanDerWaalsContact N-O 3.14Å
127	S	96.1	Very high	91.5	Very high	40 Å²	40	44.7 Å²	44.7	28%	0.28	25%	0.249	S	C	.	.	S	Bend	trans	-66.3	-25.9	-176.7	63.4	0	0	0	0	113.9	A32 G33	A32-S127 VanDerWaalsContact CA-OG 3.29Å; A32-S127 WeakPolarHBondContact CA-OG 3.46Å; G33-S127 PolarHBondContact N-OG 3.49Å; G33-S127 VanDerWaalsContact O-CB 3.31Å; G33-S127 WeakPolarHBondContact O-CB 3.46Å; G33-S127 PolarHBondContact O-N 3.24Å; G33-S127 PolarHBondContact O-OG 2.92Å
128	E	96.4	Very high	92.1	Very high	86 Å²	86	44.3 Å²	44.3	40%	0.402	25%	0.246	S	C	.	.	S	Bend	trans	-98.8	124.4	179.8	-171.3	175.5	168.5	0	0	110.4	A32 Y92 W126	A32-E128 HydrophobicContact CB-CB 4.04Å; Y92-E128 VanDerWaalsContact CE1-OE2 3.23Å; Y92-E128 WeakPolarHBondContact CE1-OE2 3.31Å; Y92-E128 VanDerWaalsContact CZ-OE2 3.31Å; Y92-E128 PolarHBondContact OH-OE2 2.92Å; W126-E128 PolarHBondContact O-N 2.87Å
129	V	96.6	Very high	92.7	Very high	19 Å²	19	46.3 Å²	46.3	12%	0.115	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-96.1	120.3	177.2	178.2	0	0	0	0	108.5	I56 L57 V62 A141 L143	I56-V129 HydrophobicContact CG2-CG2 3.52Å; L57-V129 HydrophobicContact CD2-CG2 4.22Å; V62-V129 HydrophobicContact CB-CG1 4.34Å; V62-V129 HydrophobicContact CG1-CB 4.15Å; V62-V129 HydrophobicContact CG1-CG1 4.15Å; V129-A141 HydrophobicContact CG1-CB 3.66Å; V129-L143 HydrophobicContact CG2-CD1 4.43Å
130	F	97.2	Very high	93.6	Very high	12 Å²	12	43.2 Å²	43.2	5%	0.053	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130.6	-174.4	-55.1	-85.5	0	0	0	110.7	L88 M91 Y92 W126 I132 A141 V142 L144	L88-F130 HydrophobicContact CD2-CE2 4.14Å; L88-F130 HydrophobicContact CD2-CZ 3.95Å; M91-F130 HydrophobicContact CB-CD1 3.81Å; M91-F130 HydrophobicContact CB-CD2 3.94Å; M91-F130 HydrophobicContact CB-CE1 3.68Å; M91-F130 HydrophobicContact CB-CE2 3.82Å; M91-F130 HydrophobicContact CB-CG 3.94Å; M91-F130 HydrophobicContact CB-CZ 3.68Å; M91-F130 HydrophobicContact CE-CB 3.43Å; M91-F130 VanDerWaalsContact CE-CB 3.43Å; M91-F130 HydrophobicContact CE-CD1 4.42Å; M91-F130 HydrophobicContact CE-CD2 3.81Å; M91-F130 HydrophobicContact CE-CG 3.64Å; M91-F130 HydrophobicContact CG-CD2 4.11Å; M91-F130 HydrophobicContact CG-CE2 4.13Å; M91-F130 HydrophobicContact CG-CG 4.43Å; M91-F130 HydrophobicContact CG-CZ 4.47Å; Y92-F130 AromaticContact CD1-CE1 3.94Å; Y92-F130 HydrophobicContact CD1-CE1 3.94Å; Y92-F130 HydrophobicContact CD2-CE1 4.16Å; Y92-F130 HydrophobicContact CD2-CZ 4.25Å; Y92-F130 AromaticContact CE1-CE1 3.73Å; Y92-F130 HydrophobicContact CE1-CE1 3.73Å; Y92-F130 HydrophobicContact CE1-CZ 4.36Å; Y92-F130 AromaticContact CE2-CE1 3.96Å; Y92-F130 HydrophobicContact CE2-CE1 3.96Å; Y92-F130 AromaticContact CE2-CZ 3.83Å; Y92-F130 HydrophobicContact CE2-CZ 3.83Å; Y92-F130 HydrophobicContact CG-CE1 4.14Å; Y92-F130 AromaticContact CZ-CE1 3.74Å; Y92-F130 AromaticContact CZ-CZ 3.88Å; W126-F130 AromaticContact CD1-CE2 3.96Å; W126-F130 AromaticContact CD1-CZ 3.87Å; F130-I132 HydrophobicContact CB-CD1 4.3Å; F130-I132 HydrophobicContact CB-CG1 4.48Å; F130-A141 CarbonylContact O-C 3.56Å; F130-A141 WeakPolarHBondContact O-CA 3.37Å; F130-V142 HydrophobicContact CB-CB 4.28Å; F130-V142 PolarHBondContact N-O 3.33Å; F130-V142 VanDerWaalsContact N-O 3.14Å; F130-V142 PolarHBondContact O-N 3.38Å; F130-L144 HydrophobicContact CE2-CD1 4.2Å; F130-L144 HydrophobicContact CE2-CG 4.49Å
131	L	96.7	Very high	94.4	Very high	57 Å²	57	42.6 Å²	42.6	30%	0.298	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	108.1	176.4	-64.2	175.9	0	0	0	110.9	V62 K65 K139 V140 A141	V62-L131 HydrophobicContact CG1-CD2 4Å; V62-L131 HydrophobicContact CG1-CG 4.42Å; K65-L131 HydrophobicContact CG-CD2 4.15Å; L131-K139 HydrophobicContact CB-CD 4.4Å; L131-K139 HydrophobicContact CB-CG 4.28Å; L131-V140 WeakPolarHBondContact CA-O 3.29Å; L131-A141 HydrophobicContact CD2-CB 4.15Å
132	I	95.8	Very high	95	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.082	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.6	-175.1	-54.4	-53.9	0	0	0	110.4	M91 F130 K139 V140 V142 P307 L310	M91-I132 HydrophobicContact CE-CD1 3.94Å; M91-I132 HydrophobicContact CE-CG1 3.86Å; F130-I132 HydrophobicContact CB-CD1 4.3Å; F130-I132 HydrophobicContact CB-CG1 4.48Å; I132-K139 WeakPolarHBondContact O-CA 3.38Å; I132-V140 HydrophobicContact CB-CG2 4.42Å; I132-V140 PolarHBondContact N-O 3.46Å; I132-V140 PolarHBondContact O-N 3.37Å; I132-V142 HydrophobicContact CB-CG2 4.27Å; I132-V142 HydrophobicContact CG1-CG2 3.71Å; I132-P307 HydrophobicContact CG2-CB 4.05Å; I132-P307 HydrophobicContact CG2-CG 3.84Å; I132-L310 HydrophobicContact CB-CD1 4.03Å; I132-L310 HydrophobicContact CG1-CD1 4.27Å; I132-L310 HydrophobicContact CG2-CD1 3.86Å
133	N	95	Very high	95.3	Very high	105 Å²	105	40.3 Å²	40.3	56%	0.561	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	117.2	172.6	-61	-44.5	0	0	0	108.9	K139 P307	N133-K139 WeakPolarHBondContact OD1-CG 3.42Å; N133-P307 WeakPolarHBondContact O-CB 3.45Å
134	K	93.6	Very high	95.5	Very high	29 Å²	29	40.4 Å²	40.4	13%	0.126	23%	0.225	C	C	.	.			trans	-74.2	158.7	171.5	-72.6	-171.6	69.7	73.2	0	110.6	D136 G137 K138 V140 P307 L310 I312	K134-D136 WeakPolarHBondContact CB-OD1 3.48Å; K134-D136 PolarHBondContact O-N 2.86Å; K134-D136 VanDerWaalsContact O-N 3.16Å; K134-G137 PolarHBondContact O-N 3.35Å; K134-K138 PolarHBondContact N-O 3.49Å; K134-V140 HydrophobicContact CD-CG1 3.73Å; K134-V140 HydrophobicContact CD-CG2 4.19Å; K134-V140 HydrophobicContact CG-CG1 4.14Å; K134-V140 HydrophobicContact CG-CG2 3.96Å; K134-P307 PolarHBondContact NZ-O 2.7Å; K134-L310 PolarHBondContact NZ-O 3.46Å; K134-I312 HydrophobicContact CD-CD1 4.35Å
135	P	92.2	Very high	95.5	Very high	90 Å²	90	39.1 Å²	39.1	58%	0.584	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.3	178.2	-21.5	30.8	0	0	0	114.3	G137 E308	P135-G137 PolarHBondContact O-N 3.46Å; P135-E308 HydrophobicContact CG-CG 3.52Å
136	D	90	Very high	95.4	Very high	96 Å²	96	39.1 Å²	39.1	51%	0.513	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	2.2	174.9	67.9	-8.9	0	0	0	113.3	K134 K138	K134-D136 WeakPolarHBondContact CB-OD1 3.48Å; K134-D136 PolarHBondContact O-N 2.86Å; K134-D136 VanDerWaalsContact O-N 3.16Å; D136-K138 VanDerWaalsContact C-N 3.31Å; D136-K138 WeakPolarHBondContact OD1-CB 3.27Å; D136-K138 PolarHBondContact OD1-N 2.86Å
137	G	88.6	Confident	95.2	Very high	66 Å²	66	38.4 Å²	38.4	68%	0.68	22%	0.216	S	C	*	.	S	Bend	trans	83.4	-0.1	-179.6	0	0	0	0	0	114.2	K134 P135	K134-G137 PolarHBondContact O-N 3.35Å; P135-G137 PolarHBondContact O-N 3.46Å
138	K	91.5	Very high	94.7	Very high	86 Å²	86	36.9 Å²	36.9	37%	0.374	20%	0.204	S	C	.	.			trans	-80.9	139.1	177	-68.5	-173.1	171.7	-167.7	0	111.4	E66 K134 D136	E66-K138 IonicContact OE1-NZ 3.28Å; E66-K138 IonicContact OE2-NZ 2.72Å; K134-K138 PolarHBondContact N-O 3.49Å; D136-K138 VanDerWaalsContact C-N 3.31Å; D136-K138 WeakPolarHBondContact OD1-CB 3.27Å; D136-K138 PolarHBondContact OD1-N 2.86Å
139	K	95.4	Very high	94	Very high	96 Å²	96	33.1 Å²	33.1	42%	0.417	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	115.6	172.9	-161	169	-166.9	176.5	0	109.4	L131 I132 N133	L131-K139 HydrophobicContact CB-CD 4.4Å; L131-K139 HydrophobicContact CB-CG 4.28Å; I132-K139 WeakPolarHBondContact O-CA 3.38Å; N133-K139 WeakPolarHBondContact OD1-CG 3.42Å
140	V	97.1	Very high	93.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	153.2	-178.3	-60.5	0	0	0	0	110.9	E66 V68 L131 I132 K134 L310 I312	E66-V140 HydrophobicContact CB-CG1 4.46Å; E66-V140 WeakPolarHBondContact O-CA 3.47Å; V68-V140 HydrophobicContact CG2-CB 4.25Å; V68-V140 HydrophobicContact CG2-CG2 4.07Å; L131-V140 WeakPolarHBondContact CA-O 3.29Å; I132-V140 HydrophobicContact CB-CG2 4.42Å; I132-V140 PolarHBondContact N-O 3.46Å; I132-V140 PolarHBondContact O-N 3.37Å; K134-V140 HydrophobicContact CD-CG1 3.73Å; K134-V140 HydrophobicContact CD-CG2 4.19Å; K134-V140 HydrophobicContact CG-CG1 4.14Å; K134-V140 HydrophobicContact CG-CG2 3.96Å; V140-L310 HydrophobicContact CG2-CD1 4.38Å; V140-I312 HydrophobicContact CG1-CD1 4.05Å; V140-I312 HydrophobicContact CG1-CG1 3.92Å
141	A	97.9	Very high	92.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.9	176.1	0	0	0	0	0	110.1	K65 E66 V67 V68 V129 F130 L131 C322	K65-A141 HydrophobicContact CB-CB 3.95Å; E66-A141 PolarHBondContact O-N 2.96Å; V67-A141 CarbonylContact C-O 3.49Å; V67-A141 VanDerWaalsContact CA-O 3.31Å; V67-A141 WeakPolarHBondContact CA-O 3.47Å; V68-A141 PolarHBondContact N-O 2.89Å; V129-A141 HydrophobicContact CG1-CB 3.66Å; F130-A141 CarbonylContact O-C 3.56Å; F130-A141 WeakPolarHBondContact O-CA 3.37Å; L131-A141 HydrophobicContact CD2-CB 4.15Å; A141-C322 WeakPolarHBondContact CB-SG 3.33Å
142	V	98.2	Very high	91.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.9	179.9	-175	0	0	0	0	109.7	V68 M91 F130 I132 L144 L310	V68-V142 HydrophobicContact CB-CG2 4.31Å; V68-V142 CarbonylContact O-C 3.58Å; V68-V142 WeakPolarHBondContact O-CA 3.32Å; M91-V142 HydrophobicContact CE-CB 3.79Å; M91-V142 HydrophobicContact CE-CG1 3.75Å; M91-V142 HydrophobicContact CE-CG2 4.06Å; F130-V142 HydrophobicContact CB-CB 4.28Å; F130-V142 PolarHBondContact N-O 3.33Å; F130-V142 VanDerWaalsContact N-O 3.14Å; F130-V142 PolarHBondContact O-N 3.38Å; I132-V142 HydrophobicContact CB-CG2 4.27Å; I132-V142 HydrophobicContact CG1-CG2 3.71Å; V142-L144 HydrophobicContact CG1-CD2 4.42Å; V142-L310 HydrophobicContact CG1-CD2 4.47Å; V142-L310 HydrophobicContact CG2-CD1 3.67Å; V142-L310 HydrophobicContact CG2-CD2 4.24Å
143	L	97.9	Very high	90.8	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.4	177.9	-178.8	69.5	0	0	0	109.5	L57 V67 V68 V70 I125 V129 L325	L57-L143 HydrophobicContact CD2-CD1 4.26Å; L57-L143 HydrophobicContact CD2-CD2 4.36Å; V67-L143 HydrophobicContact CG2-CB 4.37Å; V68-L143 PolarHBondContact O-N 3.17Å; V70-L143 PolarHBondContact N-O 3.14Å; I125-L143 HydrophobicContact CB-CD1 4.03Å; I125-L143 HydrophobicContact CD1-CD1 4.13Å; I125-L143 HydrophobicContact CG2-CD1 4.29Å; I125-L143 HydrophobicContact CG2-CD2 4.45Å; I125-L143 HydrophobicContact CG2-CG 4.49Å; V129-L143 HydrophobicContact CG2-CD1 4.43Å; L143-L325 HydrophobicContact CD2-CD2 3.95Å
144	L	97.9	Very high	90.1	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.8	173	-59.3	-175.2	0	0	0	110	V70 M84 M87 L88 M91 I125 W126 F130 V142	V70-L144 HydrophobicContact CB-CD2 3.91Å; V70-L144 HydrophobicContact CG2-CD2 4.35Å; M84-L144 HydrophobicContact CE-CB 3.85Å; M87-L144 HydrophobicContact CB-CD1 4.23Å; L88-L144 HydrophobicContact CD2-CD1 3.68Å; L88-L144 HydrophobicContact CG-CD1 4.1Å; M91-L144 HydrophobicContact CG-CD1 4.21Å; I125-L144 WeakPolarHBondContact CA-O 3.48Å; W126-L144 HydrophobicContact CB-CB 4.49Å; W126-L144 PolarHBondContact N-O 3.38Å; W126-L144 VanDerWaalsContact N-O 3.14Å; F130-L144 HydrophobicContact CE2-CD1 4.2Å; F130-L144 HydrophobicContact CE2-CG 4.49Å; V142-L144 HydrophobicContact CG1-CD2 4.42Å
145	M	96.6	Very high	89.7	Confident	1 Å²	1	37 Å²	37	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.2	-176.4	-176.6	168	58.3	0	0	111.3	V70 S71 V72 M84 I123 Q124 I125 T147 S167 I170	V70-M145 PolarHBondContact O-N 3.25Å; S71-M145 WeakPolarHBondContact CA-O 3.45Å; S71-M145 VanDerWaalsContact CB-CE 3.49Å; V72-M145 PolarHBondContact N-O 3.3Å; M84-M145 WeakPolarHBondContact CE-O 3.32Å; I123-M145 HydrophobicContact CD1-SD 4.39Å; I123-M145 HydrophobicContact CG2-CG 3.27Å; I123-M145 HydrophobicContact CG2-SD 3.44Å; I123-M145 WeakPolarHBondContact CG2-SD 3.49Å; Q124-M145 CarbonylContact O-C 3.58Å; Q124-M145 WeakPolarHBondContact O-CA 3.33Å; I125-M145 HydrophobicContact CG2-CB 4.2Å; I125-M145 HydrophobicContact CG2-CG 4.13Å; M145-T147 HydrophobicContact CG-CG2 4.46Å; M145-S167 WeakPolarHBondContact CE-O 3.22Å; M145-I170 HydrophobicContact CE-CB 4.36Å; M145-I170 HydrophobicContact CE-CG2 4.3Å; M145-I170 HydrophobicContact SD-CG2 4.41Å
146	D	95.4	Very high	89.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.1	171.9	-168	28.9	0	0	0	109.4	S81 M84 F110 T120 Q124	S81-D146 WeakPolarHBondContact CB-OD2 3.45Å; S81-D146 PolarHBondContact OG-OD2 3.47Å; M84-D146 HydrophobicContact CE-CB 3.94Å; F110-D146 HydrophobicContact CD1-CB 3.72Å; F110-D146 HydrophobicContact CE1-CB 3.85Å; F110-D146 HydrophobicContact CG-CB 4.14Å; F110-D146 HydrophobicContact CZ-CB 4.36Å; T120-D146 PolarHBondContact OG1-OD2 3.32Å; Q124-D146 PolarHBondContact N-O 2.99Å; Q124-D146 PolarHBondContact O-N 2.81Å
147	T	92.6	Very high	89.3	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.3	-176.2	80.9	0	0	0	0	111.3	V72 A73 K80 I123 M145	V72-T147 PolarHBondContact O-OG1 3.14Å; A73-T147 WeakPolarHBondContact CA-OG1 3.36Å; A73-T147 HydrophobicContact CB-CG2 4.33Å; A73-T147 WeakPolarHBondContact CB-OG1 3.45Å; K80-T147 WeakPolarHBondContact CE-O 3.41Å; I123-T147 HydrophobicContact CG1-CG2 4.44Å; M145-T147 HydrophobicContact CG-CG2 4.46Å
148	Q	85.7	Confident	89.2	Confident	7 Å²	7	31.7 Å²	31.7	3%	0.033	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-53	144.7	164.8	179	173.8	-10.4	0	0	110.6	T120 G122 D152 S155 V163	T120-Q148 WeakPolarHBondContact O-CG 3.5Å; G122-Q148 WeakPolarHBondContact O-CB 3.46Å; G122-Q148 PolarHBondContact O-N 2.91Å; Q148-D152 PolarHBondContact NE2-OD2 3.41Å; Q148-S155 PolarHBondContact NE2-OG 2.59Å; Q148-V163 HydrophobicContact CB-CG1 4.29Å
149	G	82.9	Confident	89.1	Confident	7 Å²	7	27.7 Å²	27.7	7%	0.072	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-75.3	137.5	174.8	0	0	0	0	0	112.6	G74	G74-G149 VanDerWaalsContact O-CA 3.23Å; G74-G149 WeakPolarHBondContact O-CA 3.35Å
150	T	82.8	Confident	88.8	Confident	6 Å²	6	23.5 Å²	23.5	4%	0.037	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-68.2	153.8	173.2	56.2	0	0	0	0	110.7	G74 A75 F76 D152 F164 F193	G74-T150 PolarHBondContact O-N 2.96Å; G74-T150 VanDerWaalsContact O-N 3.16Å; A75-T150 PolarHBondContact N-OG1 2.95Å; F76-T150 PolarHBondContact N-O 3.28Å; F76-T150 VanDerWaalsContact N-O 3.16Å; T150-D152 PolarHBondContact O-N 3.45Å; T150-F164 HydrophobicContact CG2-CB 4.45Å; T150-F164 HydrophobicContact CG2-CD2 4.22Å; T150-F193 HydrophobicContact CG2-CE2 3.92Å; T150-F193 HydrophobicContact CG2-CZ 4.17Å
151	F	76.9	Confident	88.4	Confident	81 Å²	81	23.5 Å²	23.5	36%	0.355	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	35.3	174.4	-51.9	-70.9	0	0	0	115.8	F76 L157 S160 H189 F193	F76-F151 VanDerWaalsContact CD1-O 3.32Å; F76-F151 WeakPolarHBondContact CD1-O 3.4Å; F76-F151 WeakPolarHBondContact CE1-O 3.37Å; F151-L157 HydrophobicContact CE1-CD1 3.97Å; F151-S160 PolarHBondContact N-OG 2.89Å; F151-H189 AromaticContact CE1-CE1 3.97Å; F151-H189 AromaticContact CE1-NE2 3.76Å; F151-H189 HydrophobicContact CE2-CB 4.35Å; F151-H189 AromaticContact CE2-CE1 3.69Å; F151-H189 AromaticContact CE2-CG 3.79Å; F151-H189 AromaticContact CE2-ND1 3.44Å; F151-H189 WeakPolarHBondContact CE2-ND1 3.24Å; F151-H189 HydrophobicContact CZ-CB 4.21Å; F151-H189 AromaticContact CZ-CD2 3.4Å; F151-H189 VanDerWaalsContact CZ-CD2 3.4Å; F151-H189 WeakPolarHBondContact CZ-CD2 3.23Å; F151-H189 AromaticContact CZ-CE1 3.33Å; F151-H189 WeakPolarHBondContact CZ-CE1 3.49Å; F151-H189 AromaticContact CZ-CG 3.43Å; F151-H189 VanDerWaalsContact CZ-CG 3.43Å; F151-H189 AromaticContact CZ-ND1 3.39Å; F151-H189 WeakPolarHBondContact CZ-ND1 3.39Å; F151-H189 AromaticContact CZ-NE2 3.32Å; F151-H189 VanDerWaalsContact CZ-NE2 3.32Å; F151-H189 WeakPolarHBondContact CZ-NE2 3.3Å; F151-F193 HydrophobicContact CE2-CZ 4.19Å; F151-F193 AromaticContact CZ-CZ 3.86Å; F151-F193 HydrophobicContact CZ-CZ 3.86Å
152	D	81.4	Confident	88	Confident	12 Å²	12	23.5 Å²	23.5	6%	0.064	13%	0.129	C	C	.	.			trans	-73.3	168.4	166	75.7	36.4	0	0	0	111.9	F76 R118 Q148 T150 Q154 S155	F76-D152 HydrophobicContact CB-CB 4.36Å; F76-D152 HydrophobicContact CD1-CB 4.21Å; F76-D152 HydrophobicContact CD2-CB 4.34Å; F76-D152 HydrophobicContact CG-CB 4.05Å; R118-D152 WeakPolarHBondContact CD-OD2 3.38Å; R118-D152 IonicContact CZ-OD2 2.6Å; R118-D152 IonicContact NE-OD2 3.3Å; R118-D152 IonicContact NH1-OD1 2.59Å; R118-D152 PolarHBondContact NH1-OD1 3.06Å; R118-D152 IonicContact NH1-OD2 3Å; R118-D152 PolarHBondContact NH1-OD2 3.22Å; Q148-D152 PolarHBondContact NE2-OD2 3.41Å; T150-D152 PolarHBondContact O-N 3.45Å; D152-Q154 VanDerWaalsContact C-N 3.27Å; D152-Q154 PolarHBondContact O-N 3.46Å; D152-Q154 PolarHBondContact OD1-N 2.96Å; D152-S155 WeakPolarHBondContact OD1-CA 3.41Å; D152-S155 WeakPolarHBondContact OD1-CB 3.46Å; D152-S155 PolarHBondContact OD1-N 3.45Å; D152-S155 PolarHBondContact OD1-OG 2.7Å; D152-S155 PolarHBondContact OD2-OG 3.04Å
153	S	77.2	Confident	87.8	Confident	101 Å²	101	23.7 Å²	23.7	71%	0.706	13%	0.13	S	C	*	.	S	Bend	trans	-76.8	-8.3	-175.8	53.1	0	0	0	0	114.9
154	Q	81.3	Confident	87.5	Confident	100 Å²	100	23.5 Å²	23.5	47%	0.467	13%	0.129	S	C	.	.	S	Bend	trans	-116.2	-8.1	-171.5	-66.1	179	20.6	0	0	112.6	R118 D152	R118-Q154 VanDerWaalsContact CZ-CB 3.42Å; D152-Q154 VanDerWaalsContact C-N 3.27Å; D152-Q154 PolarHBondContact O-N 3.46Å; D152-Q154 PolarHBondContact OD1-N 2.96Å
155	S	84.3	Confident	87.3	Confident	21 Å²	21	23.4 Å²	23.4	15%	0.147	13%	0.129	C	C	.	.			trans	-107.9	143.8	-175.2	-53.7	0	0	0	0	111.4	R118 Q148 D152 D159	R118-S155 PolarHBondContact NH1-OG 2.97Å; Q148-S155 PolarHBondContact NE2-OG 2.59Å; D152-S155 WeakPolarHBondContact OD1-CA 3.41Å; D152-S155 WeakPolarHBondContact OD1-CB 3.46Å; D152-S155 PolarHBondContact OD1-N 3.45Å; D152-S155 PolarHBondContact OD1-OG 2.7Å; D152-S155 PolarHBondContact OD2-OG 3.04Å; S155-D159 WeakPolarHBondContact CA-OD2 3.26Å
156	T	86.8	Confident	87.1	Confident	54 Å²	54	23.4 Å²	23.4	33%	0.331	13%	0.129	S	C	.	.			trans	-75.5	168.2	171.3	73.7	0	0	0	0	111.2	R158 D159 S160	T156-R158 PolarHBondContact O-N 3.5Å; T156-R158 WeakPolarHBondContact OG1-CB 3.38Å; T156-R158 PolarHBondContact OG1-N 2.96Å; T156-D159 PolarHBondContact N-OD2 3.07Å; T156-D159 PolarHBondContact O-N 3.46Å; T156-D159 PolarHBondContact OG1-N 3.42Å; T156-D159 VanDerWaalsContact OG1-N 3.12Å; T156-D159 PolarHBondContact OG1-OD1 3.47Å; T156-D159 PolarHBondContact OG1-OD2 3.24Å; T156-S160 PolarHBondContact O-N 3.35Å; T156-S160 VanDerWaalsContact O-N 3.14Å
157	L	86.2	Confident	87.1	Confident	41 Å²	41	23.4 Å²	23.4	22%	0.215	13%	0.129	C	C	.	.	H	α-helix	trans	-63	-32.6	170.5	-173.4	63.2	0	0	0	111.6	F151 A161 L192 F193 P344 K345	F151-L157 HydrophobicContact CE1-CD1 3.97Å; L157-A161 WeakPolarHBondContact O-CB 3.43Å; L157-A161 PolarHBondContact O-N 3.46Å; L157-L192 HydrophobicContact CD1-CD2 4.36Å; L157-L192 HydrophobicContact CD2-CD2 4.1Å; L157-L192 HydrophobicContact CG-CD2 4.43Å; L157-F193 HydrophobicContact CD1-CE1 4.32Å; L157-P344 HydrophobicContact CD2-CB 4.31Å; L157-P344 HydrophobicContact CG-CB 4.19Å; L157-K345 VanDerWaalsContact CD2-C 3.49Å; L157-K345 VanDerWaalsContact CD2-O 3.31Å; L157-K345 WeakPolarHBondContact CD2-O 3.42Å
158	R	86.8	Confident	87.2	Confident	45 Å²	45	23.4 Å²	23.4	17%	0.17	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-44.3	173.6	-178.8	-174.8	177.4	172.6	4	110.5	T156 A161 T162 Y336 E339 H343	T156-R158 PolarHBondContact O-N 3.5Å; T156-R158 WeakPolarHBondContact OG1-CB 3.38Å; T156-R158 PolarHBondContact OG1-N 2.96Å; R158-A161 PolarHBondContact O-N 3.47Å; R158-T162 VanDerWaalsContact O-CB 3.26Å; R158-T162 WeakPolarHBondContact O-CB 3.44Å; R158-T162 PolarHBondContact O-N 3.46Å; R158-T162 PolarHBondContact O-OG1 2.9Å; R158-Y336 PolarHBondContact NH2-O 2.78Å; R158-E339 IonicContact NH1-OE1 2.97Å; R158-H343 PolarHBondContact NH1-CE1 3.13Å; R158-H343 VanDerWaalsContact NH1-CE1 3.3Å; R158-H343 PolarHBondContact NH1-NE2 3.3Å
159	D	89.1	Confident	87.6	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.011	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-50.6	179.9	-52.4	-12.3	0	0	0	111.2	H44 F46 S155 T156 A161 T162 V163	H44-D159 IonicContact CE1-OD2 3.47Å; H44-D159 IonicContact CG-OD2 3.54Å; H44-D159 IonicContact ND1-OD1 3.1Å; H44-D159 IonicContact ND1-OD2 2.64Å; H44-D159 PolarHBondContact ND1-OD2 3.2Å; F46-D159 HydrophobicContact CE1-CB 4.5Å; F46-D159 HydrophobicContact CZ-CB 4.44Å; S155-D159 WeakPolarHBondContact CA-OD2 3.26Å; T156-D159 PolarHBondContact N-OD2 3.07Å; T156-D159 PolarHBondContact O-N 3.46Å; T156-D159 PolarHBondContact OG1-N 3.42Å; T156-D159 VanDerWaalsContact OG1-N 3.12Å; T156-D159 PolarHBondContact OG1-OD1 3.47Å; T156-D159 PolarHBondContact OG1-OD2 3.24Å; D159-A161 VanDerWaalsContact C-N 3.34Å; D159-A161 PolarHBondContact O-N 2.93Å; D159-T162 PolarHBondContact O-N 3.5Å; D159-V163 WeakPolarHBondContact O-CG2 3.35Å; D159-V163 PolarHBondContact O-N 2.97Å
160	S	89.1	Confident	88.1	Confident	7 Å²	7	22.8 Å²	22.8	5%	0.049	12%	0.124	C	C	.	.	H	α-helix	trans	-60.9	-44	178.2	-67.2	0	0	0	0	111.7	F151 T156 F164	F151-S160 PolarHBondContact N-OG 2.89Å; T156-S160 PolarHBondContact O-N 3.35Å; T156-S160 VanDerWaalsContact O-N 3.14Å; S160-F164 WeakPolarHBondContact O-CB 3.5Å; S160-F164 PolarHBondContact O-N 3.39Å; S160-F164 VanDerWaalsContact O-N 3.1Å
161	A	88.9	Confident	88.8	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.9	-40.5	179	0	0	0	0	0	112.3	L157 R158 D159 F164 A165 F193 Y196 P344	L157-A161 WeakPolarHBondContact O-CB 3.43Å; L157-A161 PolarHBondContact O-N 3.46Å; R158-A161 PolarHBondContact O-N 3.47Å; D159-A161 VanDerWaalsContact C-N 3.34Å; D159-A161 PolarHBondContact O-N 2.93Å; A161-F164 PolarHBondContact O-N 2.8Å; A161-A165 WeakPolarHBondContact O-CB 3.18Å; A161-A165 PolarHBondContact O-N 2.87Å; A161-F193 VanDerWaalsContact CA-CD1 3.45Å; A161-F193 HydrophobicContact CB-CD1 3.55Å; A161-F193 HydrophobicContact CB-CE1 3.76Å; A161-Y196 HydrophobicContact CB-CD1 4.03Å; A161-Y196 HydrophobicContact CB-CE1 4.45Å; A161-P344 HydrophobicContact CB-CB 4.23Å; A161-P344 HydrophobicContact CB-CG 3.84Å
162	T	90.7	Very high	89.8	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.8	-47	-179.2	-57.3	0	0	0	0	110.8	F46 R158 D159 F164 A165 L166 Y336	F46-T162 HydrophobicContact CD1-CG2 4.04Å; F46-T162 HydrophobicContact CD2-CG2 4.16Å; F46-T162 HydrophobicContact CE1-CG2 3.8Å; F46-T162 HydrophobicContact CE2-CG2 3.93Å; F46-T162 HydrophobicContact CG-CG2 4.23Å; F46-T162 HydrophobicContact CZ-CG2 3.76Å; R158-T162 VanDerWaalsContact O-CB 3.26Å; R158-T162 WeakPolarHBondContact O-CB 3.44Å; R158-T162 PolarHBondContact O-N 3.46Å; R158-T162 PolarHBondContact O-OG1 2.9Å; D159-T162 PolarHBondContact O-N 3.5Å; T162-F164 PolarHBondContact O-N 3.34Å; T162-A165 PolarHBondContact O-N 3.48Å; T162-L166 HydrophobicContact CG2-CD1 3.8Å; T162-L166 HydrophobicContact CG2-CG 4.42Å; T162-L166 VanDerWaalsContact O-CB 3.27Å; T162-L166 WeakPolarHBondContact O-CB 3.34Å; T162-L166 WeakPolarHBondContact O-CG 3.37Å; T162-L166 PolarHBondContact O-N 3.42Å; T162-Y336 HydrophobicContact CG2-CD1 4.31Å; T162-Y336 HydrophobicContact CG2-CD2 4.01Å; T162-Y336 HydrophobicContact CG2-CG 3.81Å
163	V	92.8	Very high	90.6	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.024	11%	0.105	C	C	.	.	H	α-helix	trans	-60.9	-46.5	177	172	0	0	0	0	110.9	L38 V40 I123 Q148 D159 S167	L38-V163 HydrophobicContact CD2-CG2 4.19Å; V40-V163 HydrophobicContact CG2-CG2 4.21Å; I123-V163 HydrophobicContact CD1-CG1 4.49Å; I123-V163 HydrophobicContact CG1-CG1 3.99Å; Q148-V163 HydrophobicContact CB-CG1 4.29Å; D159-V163 WeakPolarHBondContact O-CG2 3.35Å; D159-V163 PolarHBondContact O-N 2.97Å; V163-S167 WeakPolarHBondContact O-CB 3.38Å; V163-S167 PolarHBondContact O-N 2.7Å; V163-S167 PolarHBondContact O-OG 2.81Å
164	F	92.6	Very high	91.6	Very high	1 Å²	1	13.8 Å²	13.8	0%	0.004	7%	0.072	C	C	.	.	H	α-helix	trans	-67.2	-42.9	-179.9	-168.9	-75.6	0	0	0	112.4	A73 T150 S160 A161 T162 S167 T168 Y176 L190 F193	A73-F164 HydrophobicContact CB-CD2 3.77Å; A73-F164 HydrophobicContact CB-CE2 3.87Å; T150-F164 HydrophobicContact CG2-CB 4.45Å; T150-F164 HydrophobicContact CG2-CD2 4.22Å; S160-F164 WeakPolarHBondContact O-CB 3.5Å; S160-F164 PolarHBondContact O-N 3.39Å; S160-F164 VanDerWaalsContact O-N 3.1Å; A161-F164 PolarHBondContact O-N 2.8Å; T162-F164 PolarHBondContact O-N 3.34Å; F164-S167 PolarHBondContact O-N 3.36Å; F164-S167 PolarHBondContact O-OG 3.28Å; F164-T168 WeakPolarHBondContact CD1-OG1 3.33Å; F164-T168 WeakPolarHBondContact CE1-OG1 3.36Å; F164-T168 WeakPolarHBondContact O-CB 3.01Å; F164-T168 PolarHBondContact O-N 3.25Å; F164-T168 PolarHBondContact O-OG1 2.97Å; F164-Y176 AromaticContact CE2-CD2 3.8Å; F164-Y176 HydrophobicContact CE2-CD2 3.8Å; F164-Y176 AromaticContact CE2-CE2 3.81Å; F164-Y176 HydrophobicContact CE2-CE2 3.81Å; F164-Y176 HydrophobicContact CZ-CD2 4.12Å; F164-Y176 HydrophobicContact CZ-CE2 4.25Å; F164-L190 HydrophobicContact CE1-CD1 3.78Å; F164-L190 HydrophobicContact CZ-CD1 3.63Å; F164-F193 HydrophobicContact CB-CB 4.12Å; F164-F193 HydrophobicContact CB-CD2 3.85Å; F164-F193 HydrophobicContact CB-CE2 4.43Å; F164-F193 HydrophobicContact CB-CG 4Å; F164-F193 HydrophobicContact CD1-CB 3.26Å; F164-F193 AromaticContact CD1-CD2 3.62Å; F164-F193 HydrophobicContact CD1-CD2 3.62Å; F164-F193 AromaticContact CD1-CG 3.81Å; F164-F193 HydrophobicContact CD1-CG 3.81Å; F164-F193 AromaticContact CD2-CD2 3.74Å; F164-F193 HydrophobicContact CD2-CD2 3.74Å; F164-F193 HydrophobicContact CD2-CE2 4.21Å; F164-F193 HydrophobicContact CE1-CB 3.86Å; F164-F193 HydrophobicContact CE1-CD2 4.06Å; F164-F193 HydrophobicContact CE1-CG 4.46Å; F164-F193 HydrophobicContact CE2-CD2 4.17Å; F164-F193 HydrophobicContact CG-CB 3.85Å; F164-F193 AromaticContact CG-CD2 3.43Å; F164-F193 HydrophobicContact CG-CD2 3.43Å; F164-F193 VanDerWaalsContact CG-CD2 3.43Å; F164-F193 HydrophobicContact CG-CE2 4.22Å; F164-F193 AromaticContact CG-CG 3.89Å; F164-F193 HydrophobicContact CG-CG 3.89Å; F164-F193 HydrophobicContact CZ-CD2 4.32Å
165	A	92.4	Very high	92.4	Very high	1 Å²	1	9 Å²	9	1%	0.008	5%	0.049	C	C	.	.	H	α-helix	trans	-64.5	-47.6	179	0	0	0	0	0	110.7	A161 T162 S167 T168 M169 Y196 Y336	A161-A165 WeakPolarHBondContact O-CB 3.18Å; A161-A165 PolarHBondContact O-N 2.87Å; T162-A165 PolarHBondContact O-N 3.48Å; A165-S167 PolarHBondContact O-N 2.92Å; A165-T168 PolarHBondContact O-N 3.37Å; A165-M169 WeakPolarHBondContact O-CB 3.47Å; A165-M169 VanDerWaalsContact O-CG 3.29Å; A165-M169 WeakPolarHBondContact O-CG 3.45Å; A165-M169 PolarHBondContact O-N 3.21Å; A165-Y196 HydrophobicContact CB-CD1 4.19Å; A165-Y336 WeakPolarHBondContact CB-OH 3.3Å
166	L	93	Very high	93	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-58.9	-46	174.9	-77.7	170	0	0	0	111.7	L38 I123 T162 T168 M169 I170 I333 Y336	L38-L166 HydrophobicContact CD1-CD1 4.21Å; L38-L166 HydrophobicContact CD2-CD1 3.66Å; I123-L166 HydrophobicContact CD1-CB 4.07Å; T162-L166 HydrophobicContact CG2-CD1 3.8Å; T162-L166 HydrophobicContact CG2-CG 4.42Å; T162-L166 VanDerWaalsContact O-CB 3.27Å; T162-L166 WeakPolarHBondContact O-CB 3.34Å; T162-L166 WeakPolarHBondContact O-CG 3.37Å; T162-L166 PolarHBondContact O-N 3.42Å; L166-T168 VanDerWaalsContact C-N 3.3Å; L166-T168 PolarHBondContact O-N 2.89Å; L166-M169 HydrophobicContact CD2-CE 4.02Å; L166-M169 PolarHBondContact O-N 3.16Å; L166-I170 WeakPolarHBondContact O-CB 3.39Å; L166-I170 VanDerWaalsContact O-CG1 3.25Å; L166-I170 WeakPolarHBondContact O-CG1 3.49Å; L166-I170 PolarHBondContact O-N 3.15Å; L166-I333 HydrophobicContact CD1-CD1 3.9Å; L166-Y336 HydrophobicContact CD1-CD2 4.09Å; L166-Y336 HydrophobicContact CD1-CE2 4.47Å; L166-Y336 HydrophobicContact CD2-CD2 3.71Å; L166-Y336 HydrophobicContact CD2-CE2 3.63Å; L166-Y336 HydrophobicContact CG-CD2 3.75Å; L166-Y336 HydrophobicContact CG-CE2 3.66Å
167	S	95	Very high	93.5	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-62	-40.8	179.5	77.8	0	0	0	0	111.9	S71 M145 V163 F164 A165 S171 Q174	S71-S167 WeakPolarHBondContact OG-CB 3.3Å; M145-S167 WeakPolarHBondContact CE-O 3.22Å; V163-S167 WeakPolarHBondContact O-CB 3.38Å; V163-S167 PolarHBondContact O-N 2.7Å; V163-S167 PolarHBondContact O-OG 2.81Å; F164-S167 PolarHBondContact O-N 3.36Å; F164-S167 PolarHBondContact O-OG 3.28Å; A165-S167 PolarHBondContact O-N 2.92Å; S167-S171 WeakPolarHBondContact O-CB 3.34Å; S167-S171 PolarHBondContact O-N 2.64Å; S167-S171 PolarHBondContact O-OG 3.24Å; S167-Q174 PolarHBondContact OG-OE1 3.04Å
168	T	95	Very high	93.9	Very high	2 Å²	2	4 Å²	4	1%	0.012	2%	0.019	C	C	.	.	H	α-helix	trans	-68.8	-42.6	178.8	-55.9	0	0	0	0	111.6	F164 A165 L166 I170 S171 F209 F261	F164-T168 WeakPolarHBondContact CD1-OG1 3.33Å; F164-T168 WeakPolarHBondContact CE1-OG1 3.36Å; F164-T168 WeakPolarHBondContact O-CB 3.01Å; F164-T168 PolarHBondContact O-N 3.25Å; F164-T168 PolarHBondContact O-OG1 2.97Å; A165-T168 PolarHBondContact O-N 3.37Å; L166-T168 VanDerWaalsContact C-N 3.3Å; L166-T168 PolarHBondContact O-N 2.89Å; T168-I170 PolarHBondContact O-N 2.96Å; T168-S171 PolarHBondContact O-OG 3.19Å; T168-F209 HydrophobicContact CG2-CD1 3.95Å; T168-F209 HydrophobicContact CG2-CD2 3.99Å; T168-F209 HydrophobicContact CG2-CE1 4.11Å; T168-F209 HydrophobicContact CG2-CE2 4.16Å; T168-F209 HydrophobicContact CG2-CG 3.91Å; T168-F209 HydrophobicContact CG2-CZ 4.22Å; T168-F261 HydrophobicContact CG2-CE1 3.91Å; T168-F261 HydrophobicContact CG2-CZ 3.9Å
169	M	93.6	Very high	94.3	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-66.7	-36.3	178.7	-74.5	-168.6	-60	0	0	112.9	A165 L166 A200 M201 F209 K313 Y332 Y336	A165-M169 WeakPolarHBondContact O-CB 3.47Å; A165-M169 VanDerWaalsContact O-CG 3.29Å; A165-M169 WeakPolarHBondContact O-CG 3.45Å; A165-M169 PolarHBondContact O-N 3.21Å; L166-M169 HydrophobicContact CD2-CE 4.02Å; L166-M169 PolarHBondContact O-N 3.16Å; M169-A200 HydrophobicContact CE-CB 4.26Å; M169-A200 HydrophobicContact SD-CB 4.12Å; M169-M201 HydrophobicContact CG-CG 4.25Å; M169-M201 HydrophobicContact CG-SD 3.9Å; M169-M201 HydrophobicContact SD-CG 3.59Å; M169-M201 VanDerWaalsContact SD-CG 3.59Å; M169-M201 HydrophobicContact SD-SD 4.04Å; M169-F209 HydrophobicContact CG-CE1 3.84Å; M169-F209 HydrophobicContact CG-CZ 4.41Å; M169-K313 WeakPolarHBondContact O-CE 3.34Å; M169-K313 PolarHBondContact O-NZ 3.3Å; M169-Y332 HydrophobicContact CB-CD2 4.13Å; M169-Y332 HydrophobicContact CB-CE2 3.97Å; M169-Y332 HydrophobicContact CE-CD1 4.36Å; M169-Y332 HydrophobicContact CE-CD2 4.05Å; M169-Y332 HydrophobicContact CE-CG 3.89Å; M169-Y332 HydrophobicContact SD-CD1 4.35Å; M169-Y332 HydrophobicContact SD-CD2 4.33Å; M169-Y332 HydrophobicContact SD-CE1 4.42Å; M169-Y332 HydrophobicContact SD-CE2 4.4Å; M169-Y332 HydrophobicContact SD-CG 4.32Å; M169-Y336 HydrophobicContact CE-CE2 3.36Å; M169-Y336 WeakPolarHBondContact CE-OH 3.44Å
170	I	95	Very high	94.6	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-81.6	-37.2	-179.1	-65.4	-61.6	0	0	0	111.6	M145 L166 T168 K313 L325 F329 Y332	M145-I170 HydrophobicContact CE-CB 4.36Å; M145-I170 HydrophobicContact CE-CG2 4.3Å; M145-I170 HydrophobicContact SD-CG2 4.41Å; L166-I170 WeakPolarHBondContact O-CB 3.39Å; L166-I170 VanDerWaalsContact O-CG1 3.25Å; L166-I170 WeakPolarHBondContact O-CG1 3.49Å; L166-I170 PolarHBondContact O-N 3.15Å; T168-I170 PolarHBondContact O-N 2.96Å; I170-K313 WeakPolarHBondContact O-CE 3.5Å; I170-L325 HydrophobicContact CD1-CD1 4.34Å; I170-L325 HydrophobicContact CG2-CD1 3.98Å; I170-L325 HydrophobicContact CG2-CD2 4.19Å; I170-L325 HydrophobicContact CG2-CG 4.21Å; I170-F329 HydrophobicContact CD1-CB 4.2Å; I170-F329 HydrophobicContact CD1-CD2 3.89Å; I170-F329 HydrophobicContact CD1-CG 4.17Å; I170-F329 HydrophobicContact CG1-CD2 3.9Å; I170-F329 HydrophobicContact CG1-CE2 4.09Å; I170-F329 HydrophobicContact CG1-CG 4.44Å; I170-F329 HydrophobicContact CG2-CD2 4.17Å; I170-F329 HydrophobicContact CG2-CE2 4.2Å; I170-Y332 HydrophobicContact CD1-CD2 3.91Å; I170-Y332 HydrophobicContact CD1-CE2 4.21Å
171	S	97.1	Very high	94.9	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.021	6%	0.056	C	C	.	.			trans	-71.9	149.3	-179	68.9	0	0	0	0	113.5	A69 S167 T168 Q174 K313	A69-S171 CarbonylContact O-C 3.56Å; A69-S171 WeakPolarHBondContact O-CA 3.47Å; A69-S171 WeakPolarHBondContact O-CB 3.33Å; S167-S171 WeakPolarHBondContact O-CB 3.34Å; S167-S171 PolarHBondContact O-N 2.64Å; S167-S171 PolarHBondContact O-OG 3.24Å; T168-S171 PolarHBondContact O-OG 3.19Å; S171-Q174 PolarHBondContact OG-OE1 3.41Å; S171-K313 WeakPolarHBondContact O-CE 3.27Å; S171-K313 PolarHBondContact O-NZ 3.13Å
172	S	97.5	Very high	95.3	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.007	6%	0.056	C	C	.	.	S	Bend	trans	-92.6	-30.1	162.7	55.7	0	0	0	0	111.3	A69 Q210 S211 D311	A69-S172 PolarHBondContact N-OG 3.27Å; A69-S172 PolarHBondContact O-N 3Å; A69-S172 PolarHBondContact O-OG 3.26Å; S172-Q210 WeakPolarHBondContact O-CB 3.48Å; S172-S211 PolarHBondContact O-N 3.08Å; S172-D311 WeakPolarHBondContact CB-O 3.35Å; S172-D311 PolarHBondContact OG-O 2.91Å
173	I	98.1	Very high	95.5	Very high	4 Å²	4	16 Å²	16	2%	0.021	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	110.7	175.2	-57	171.9	0	0	0	108.3	V68 A69 V70 S71 V175 I213 D311	V68-I173 HydrophobicContact CG1-CD1 4.5Å; A69-I173 PolarHBondContact O-N 2.96Å; A69-I173 VanDerWaalsContact O-N 3.13Å; V70-I173 WeakPolarHBondContact CA-O 3.5Å; V70-I173 HydrophobicContact CG1-CB 4.44Å; V70-I173 HydrophobicContact CG1-CG2 4.43Å; V70-I173 HydrophobicContact CG2-CB 4.37Å; V70-I173 HydrophobicContact CG2-CD1 4.3Å; S71-I173 PolarHBondContact N-O 2.86Å; I173-V175 HydrophobicContact CG2-CG2 4.46Å; I173-I213 HydrophobicContact CG2-CD1 3.74Å; I173-D311 HydrophobicContact CG1-CB 4.33Å
174	Q	97.8	Very high	95.4	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.009	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	110.8	176.2	-178.5	58.9	53.7	0	0	109.5	S71 S167 S171 S211 L212 I213	S71-Q174 PolarHBondContact OG-NE2 3.42Å; S71-Q174 PolarHBondContact OG-OE1 3.1Å; S167-Q174 PolarHBondContact OG-OE1 3.04Å; S171-Q174 PolarHBondContact OG-OE1 3.41Å; Q174-S211 PolarHBondContact N-O 3.22Å; Q174-L212 HydrophobicContact CB-CD1 4.33Å; Q174-L212 HydrophobicContact CG-CD1 4.12Å; Q174-L212 WeakPolarHBondContact O-CA 3.45Å; Q174-I213 PolarHBondContact O-N 3.49Å
175	V	98.1	Very high	95.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	111.5	172.5	-175.9	0	0	0	0	108.3	S71 V72 A73 I173 N177 L215 L304	S71-V175 WeakPolarHBondContact O-CB 3.41Å; S71-V175 PolarHBondContact O-N 3.48Å; V72-V175 WeakPolarHBondContact CA-O 3.38Å; V72-V175 HydrophobicContact CB-CB 4.47Å; V72-V175 HydrophobicContact CG1-CB 4.42Å; V72-V175 HydrophobicContact CG1-CG1 4.42Å; V72-V175 HydrophobicContact CG2-CB 4.05Å; V72-V175 HydrophobicContact CG2-CG2 4.38Å; A73-V175 PolarHBondContact N-O 3.44Å; A73-V175 VanDerWaalsContact O-O 3.14Å; I173-V175 HydrophobicContact CG2-CG2 4.46Å; V175-N177 PolarHBondContact O-N 2.79Å; V175-L215 HydrophobicContact CG1-CB 3.72Å; V175-L215 HydrophobicContact CG1-CD2 3.95Å; V175-L304 HydrophobicContact CG2-CD1 4.32Å; V175-L304 HydrophobicContact CG2-CD2 4.35Å
176	Y	97.6	Very high	95.4	Very high	4 Å²	4	23 Å²	23	2%	0.016	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	99.5	174	-171.1	-149.5	0	0	0	109.7	A73 F164 L178 D186 L190 I213 F214 L215	A73-Y176 WeakPolarHBondContact O-CA 3.49Å; F164-Y176 AromaticContact CE2-CD2 3.8Å; F164-Y176 HydrophobicContact CE2-CD2 3.8Å; F164-Y176 AromaticContact CE2-CE2 3.81Å; F164-Y176 HydrophobicContact CE2-CE2 3.81Å; F164-Y176 HydrophobicContact CZ-CD2 4.12Å; F164-Y176 HydrophobicContact CZ-CE2 4.25Å; Y176-L178 HydrophobicContact CD1-CD1 3.89Å; Y176-L178 HydrophobicContact CD1-CD2 4.14Å; Y176-L178 HydrophobicContact CD1-CG 4.04Å; Y176-L178 HydrophobicContact CD2-CD2 4.35Å; Y176-L178 HydrophobicContact CE1-CD1 3.93Å; Y176-L178 HydrophobicContact CE1-CD2 3.68Å; Y176-L178 HydrophobicContact CE1-CG 4.07Å; Y176-L178 HydrophobicContact CE2-CD2 3.9Å; Y176-L178 HydrophobicContact CG-CD2 4.46Å; Y176-L178 HydrophobicContact CG-CG 4.31Å; Y176-L178 PolarHBondContact O-N 2.93Å; Y176-D186 HydrophobicContact CE1-CB 4.37Å; Y176-D186 PolarHBondContact OH-O 3.36Å; Y176-L190 HydrophobicContact CD1-CD2 4.4Å; Y176-L190 HydrophobicContact CE1-CB 4.17Å; Y176-L190 HydrophobicContact CE1-CD2 4.4Å; Y176-I213 PolarHBondContact N-O 3.38Å; Y176-F214 HydrophobicContact CD1-CD1 4Å; Y176-F214 AromaticContact CD1-CE1 3.74Å; Y176-F214 HydrophobicContact CD1-CE1 3.74Å; Y176-F214 HydrophobicContact CD1-CZ 4.34Å; Y176-F214 HydrophobicContact CE1-CE1 4.12Å; Y176-L215 PolarHBondContact O-N 3.4Å
177	N	96.6	Very high	95.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	107.4	-173.9	-179.8	90.9	0	0	0	110.9	V72 A73 K78 K80 V175 R217	V72-N177 HydrophobicContact CG1-CB 4.02Å; A73-N177 PolarHBondContact O-N 3.39Å; K78-N177 VanDerWaalsContact CB-ND2 3.31Å; K78-N177 WeakPolarHBondContact CB-ND2 3.25Å; K78-N177 PolarHBondContact O-ND2 3.11Å; K80-N177 HydrophobicContact CG-CB 4.17Å; V175-N177 PolarHBondContact O-N 2.79Å; N177-R217 VanDerWaalsContact OD1-CD 3.28Å; N177-R217 WeakPolarHBondContact OD1-CD 3.29Å; N177-R217 VanDerWaalsContact OD1-CG 3.23Å; N177-R217 WeakPolarHBondContact OD1-CG 3.41Å; N177-R217 PolarHBondContact OD1-NH1 2.77Å
178	L	95.9	Very high	95.2	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.031	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	157.2	-175.5	-66.1	173.8	0	0	0	111.6	Y176 V182 D186 F214 L215 R217	Y176-L178 HydrophobicContact CD1-CD1 3.89Å; Y176-L178 HydrophobicContact CD1-CD2 4.14Å; Y176-L178 HydrophobicContact CD1-CG 4.04Å; Y176-L178 HydrophobicContact CD2-CD2 4.35Å; Y176-L178 HydrophobicContact CE1-CD1 3.93Å; Y176-L178 HydrophobicContact CE1-CD2 3.68Å; Y176-L178 HydrophobicContact CE1-CG 4.07Å; Y176-L178 HydrophobicContact CE2-CD2 3.9Å; Y176-L178 HydrophobicContact CG-CD2 4.46Å; Y176-L178 HydrophobicContact CG-CG 4.31Å; Y176-L178 PolarHBondContact O-N 2.93Å; L178-V182 HydrophobicContact CD1-CB 4.43Å; L178-V182 HydrophobicContact CD1-CG1 4.37Å; L178-V182 HydrophobicContact CD1-CG2 3.76Å; L178-D186 HydrophobicContact CD1-CB 4.49Å; L178-D186 HydrophobicContact CD2-CB 4.03Å; L178-D186 WeakPolarHBondContact CD2-OD1 3.44Å; L178-F214 HydrophobicContact CD1-CD1 3.6Å; L178-F214 HydrophobicContact CD1-CE1 4.11Å; L178-L215 PolarHBondContact N-O 3.38Å; L178-R217 VanDerWaalsContact O-CB 3.27Å; L178-R217 WeakPolarHBondContact O-CB 2.99Å; L178-R217 VanDerWaalsContact O-CG 3.27Å; L178-R217 WeakPolarHBondContact O-CG 3.09Å; L178-R217 PolarHBondContact O-N 2.84Å
179	S	94.4	Very high	94.9	Very high	34 Å²	34	27 Å²	27	24%	0.238	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.7	-178.1	-163.1	0	0	0	0	110	K78 N181	K78-S179 PolarHBondContact NZ-OG 2.83Å; S179-N181 PolarHBondContact O-N 2.62Å
180	Q	94.6	Very high	94.9	Very high	116 Å²	116	27 Å²	27	54%	0.542	14%	0.135	S	C	.	.	S	Bend	trans	65.2	-46.6	174.4	-57.7	175.9	-16.4	0	0	116.4	V216 R217 D218 W219	Q180-V216 VanDerWaalsContact O-CG1 3.27Å; Q180-V216 WeakPolarHBondContact O-CG1 3.43Å; Q180-R217 WeakPolarHBondContact CA-O 3.32Å; Q180-R217 PolarHBondContact N-O 3.5Å; Q180-D218 HydrophobicContact CG-CB 4.17Å; Q180-W219 VanDerWaalsContact O-CE3 3.26Å
181	N	96.2	Very high	94.7	Very high	43 Å²	43	29.7 Å²	29.7	23%	0.23	15%	0.147	C	C	.	.	S	Bend	trans	-148.3	176.4	-173.2	-146.7	-26.8	0	0	0	111.1	S179 F235 R239	S179-N181 PolarHBondContact O-N 2.62Å; N181-F235 VanDerWaalsContact OD1-CZ 3.31Å; N181-F235 WeakPolarHBondContact OD1-CZ 3.42Å; N181-R239 PolarHBondContact OD1-NH1 3.45Å; N181-R239 PolarHBondContact OD1-NH2 3.42Å
182	V	96.6	Very high	94.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	16%	0.162	C	C	.	.			trans	-109.6	107.3	168.2	-178.3	0	0	0	0	107.6	L178 L187 F214 V216 F235 R239	L178-V182 HydrophobicContact CD1-CB 4.43Å; L178-V182 HydrophobicContact CD1-CG1 4.37Å; L178-V182 HydrophobicContact CD1-CG2 3.76Å; V182-L187 HydrophobicContact CG1-CD2 3.79Å; V182-L187 HydrophobicContact CG1-CG 4.22Å; V182-F214 HydrophobicContact CG1-CD1 4.2Å; V182-F214 HydrophobicContact CG1-CE1 4.04Å; V182-F214 HydrophobicContact CG2-CD1 3.99Å; V182-V216 HydrophobicContact CG2-CG2 3.83Å; V182-F235 HydrophobicContact CB-CE1 4.14Å; V182-F235 HydrophobicContact CB-CZ 4.28Å; V182-F235 HydrophobicContact CG2-CE1 3.67Å; V182-F235 HydrophobicContact CG2-CZ 4.17Å; V182-R239 HydrophobicContact CB-CG 4.35Å; V182-R239 HydrophobicContact CG1-CG 4.29Å; V182-R239 PolarHBondContact O-NH1 3.34Å
183	Q	94.7	Very high	93.9	Very high	112 Å²	112	32.4 Å²	32.4	52%	0.523	16%	0.161	S	C	.	.			trans	-93.8	165.8	-179	-55.6	-173.1	-55.9	0	0	110.9	D185 D186 L187	Q183-D185 VanDerWaalsContact C-N 3.34Å; Q183-D185 WeakPolarHBondContact CB-OD1 3.27Å; Q183-D186 PolarHBondContact N-OD2 3.08Å; Q183-D186 WeakPolarHBondContact O-CB 3.15Å; Q183-D186 PolarHBondContact O-N 3.46Å; Q183-L187 PolarHBondContact O-N 2.98Å
184	E	92.1	Very high	93.4	Very high	64 Å²	64	32.3 Å²	32.3	30%	0.299	16%	0.161	S	C	.	.	H	α-helix	trans	-70.2	-32.6	-179.9	-69.9	-63.6	155.1	0	0	112	D186 L187 Q188 L250 R254	E184-D186 VanDerWaalsContact C-N 3.32Å; E184-D186 PolarHBondContact O-N 2.88Å; E184-L187 WeakPolarHBondContact O-CB 3.43Å; E184-L187 PolarHBondContact O-N 3.11Å; E184-L187 VanDerWaalsContact O-N 3.15Å; E184-Q188 WeakPolarHBondContact O-CG 3Å; E184-Q188 PolarHBondContact O-N 3.44Å; E184-L250 HydrophobicContact CG-CD2 4.26Å; E184-L250 WeakPolarHBondContact OE2-CD2 3.28Å; E184-R254 IonicContact OE1-CZ 2.67Å; E184-R254 IonicContact OE1-NH1 3.85Å; E184-R254 PolarHBondContact OE1-NH1 2.9Å; E184-R254 IonicContact OE1-NH2 2.64Å; E184-R254 PolarHBondContact OE1-NH2 3.15Å; E184-R254 IonicContact OE2-CZ 3.57Å; E184-R254 IonicContact OE2-NH1 2.92Å; E184-R254 PolarHBondContact OE2-NH1 3.49Å; E184-R254 VanDerWaalsContact OE2-NH1 3.1Å; E184-R254 IonicContact OE2-NH2 3.85Å
185	D	90.5	Very high	92.9	Very high	67 Å²	67	35.6 Å²	35.6	36%	0.358	18%	0.176	S	C	.	.	H	α-helix	trans	-64.7	-35.7	173.5	58.9	-55.4	0	0	0	111.6	Q183 L187 Q188 H189	Q183-D185 VanDerWaalsContact C-N 3.34Å; Q183-D185 WeakPolarHBondContact CB-OD1 3.27Å; D185-L187 PolarHBondContact O-N 2.83Å; D185-Q188 PolarHBondContact O-N 3.14Å; D185-H189 WeakPolarHBondContact O-CB 3.38Å; D185-H189 PolarHBondContact O-N 3.12Å; D185-H189 PolarHBondContact O-ND1 3.32Å
186	D	93.2	Very high	92.2	Very high	23 Å²	23	36 Å²	36	12%	0.123	18%	0.178	C	C	.	.	H	α-helix	trans	-58.3	-39.6	171.6	-64.2	-46.3	0	0	0	111.8	Y176 L178 Q183 E184 L190	Y176-D186 HydrophobicContact CE1-CB 4.37Å; Y176-D186 PolarHBondContact OH-O 3.36Å; L178-D186 HydrophobicContact CD1-CB 4.49Å; L178-D186 HydrophobicContact CD2-CB 4.03Å; L178-D186 WeakPolarHBondContact CD2-OD1 3.44Å; Q183-D186 PolarHBondContact N-OD2 3.08Å; Q183-D186 WeakPolarHBondContact O-CB 3.15Å; Q183-D186 PolarHBondContact O-N 3.46Å; E184-D186 VanDerWaalsContact C-N 3.32Å; E184-D186 PolarHBondContact O-N 2.88Å; D186-L190 VanDerWaalsContact O-CB 3.32Å; D186-L190 WeakPolarHBondContact O-CB 3.44Å; D186-L190 PolarHBondContact O-N 2.86Å
187	L	94	Very high	91.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-74.7	-39.3	179.4	-58.6	-177.7	0	0	0	111.8	V182 Q183 E184 D185 L190 Q191 F214 L240 V253 I257	V182-L187 HydrophobicContact CG1-CD2 3.79Å; V182-L187 HydrophobicContact CG1-CG 4.22Å; Q183-L187 PolarHBondContact O-N 2.98Å; E184-L187 WeakPolarHBondContact O-CB 3.43Å; E184-L187 PolarHBondContact O-N 3.11Å; E184-L187 VanDerWaalsContact O-N 3.15Å; D185-L187 PolarHBondContact O-N 2.83Å; L187-L190 PolarHBondContact O-N 2.99Å; L187-Q191 WeakPolarHBondContact O-CB 3.26Å; L187-Q191 PolarHBondContact O-N 3.36Å; L187-F214 HydrophobicContact CD2-CE1 3.89Å; L187-F214 HydrophobicContact CD2-CZ 3.99Å; L187-L240 HydrophobicContact CD1-CD2 4.01Å; L187-L240 HydrophobicContact CD2-CD2 3.96Å; L187-V253 HydrophobicContact CB-CG1 3.61Å; L187-I257 HydrophobicContact CB-CD1 4.07Å; L187-I257 HydrophobicContact CD2-CD1 3.84Å; L187-I257 HydrophobicContact CG-CD1 4.44Å
188	Q	90.4	Very high	90.9	Very high	51 Å²	51	41.5 Å²	41.5	24%	0.238	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-41.9	174.9	-72.6	176.7	-11.2	0	0	111.5	E184 D185 Q191 L192 E249 V253	E184-Q188 WeakPolarHBondContact O-CG 3Å; E184-Q188 PolarHBondContact O-N 3.44Å; D185-Q188 PolarHBondContact O-N 3.14Å; Q188-Q191 WeakPolarHBondContact O-CB 3.38Å; Q188-Q191 PolarHBondContact O-N 2.94Å; Q188-L192 PolarHBondContact O-N 3.02Å; Q188-E249 PolarHBondContact NE2-OE1 3.3Å; Q188-V253 HydrophobicContact CG-CG2 4.25Å
189	H	89.8	Confident	90.3	Very high	36 Å²	36	45.2 Å²	45.2	17%	0.167	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-44.3	174.4	-66.7	145.6	0	0	0	111.5	F151 D185 Q191 L192 F193	F151-H189 AromaticContact CE1-CE1 3.97Å; F151-H189 AromaticContact CE1-NE2 3.76Å; F151-H189 HydrophobicContact CE2-CB 4.35Å; F151-H189 AromaticContact CE2-CE1 3.69Å; F151-H189 AromaticContact CE2-CG 3.79Å; F151-H189 AromaticContact CE2-ND1 3.44Å; F151-H189 WeakPolarHBondContact CE2-ND1 3.24Å; F151-H189 HydrophobicContact CZ-CB 4.21Å; F151-H189 AromaticContact CZ-CD2 3.4Å; F151-H189 VanDerWaalsContact CZ-CD2 3.4Å; F151-H189 WeakPolarHBondContact CZ-CD2 3.23Å; F151-H189 AromaticContact CZ-CE1 3.33Å; F151-H189 WeakPolarHBondContact CZ-CE1 3.49Å; F151-H189 AromaticContact CZ-CG 3.43Å; F151-H189 VanDerWaalsContact CZ-CG 3.43Å; F151-H189 AromaticContact CZ-ND1 3.39Å; F151-H189 WeakPolarHBondContact CZ-ND1 3.39Å; F151-H189 AromaticContact CZ-NE2 3.32Å; F151-H189 VanDerWaalsContact CZ-NE2 3.32Å; F151-H189 WeakPolarHBondContact CZ-NE2 3.3Å; D185-H189 WeakPolarHBondContact O-CB 3.38Å; D185-H189 PolarHBondContact O-N 3.12Å; D185-H189 PolarHBondContact O-ND1 3.32Å; H189-Q191 VanDerWaalsContact C-N 3.31Å; H189-Q191 PolarHBondContact O-N 3.45Å; H189-L192 PolarHBondContact O-N 3.17Å; H189-F193 HydrophobicContact CB-CE2 3.95Å; H189-F193 HydrophobicContact CB-CZ 4.23Å; H189-F193 WeakPolarHBondContact O-CD2 3.43Å; H189-F193 WeakPolarHBondContact O-CG 3.32Å; H189-F193 PolarHBondContact O-N 3.32Å
190	L	92.3	Very high	89.5	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-43	174	179.2	65.5	0	0	0	111.5	F164 Y176 D186 L187 F193 T194 L212 F214 I257	F164-L190 HydrophobicContact CE1-CD1 3.78Å; F164-L190 HydrophobicContact CZ-CD1 3.63Å; Y176-L190 HydrophobicContact CD1-CD2 4.4Å; Y176-L190 HydrophobicContact CE1-CB 4.17Å; Y176-L190 HydrophobicContact CE1-CD2 4.4Å; D186-L190 VanDerWaalsContact O-CB 3.32Å; D186-L190 WeakPolarHBondContact O-CB 3.44Å; D186-L190 PolarHBondContact O-N 2.86Å; L187-L190 PolarHBondContact O-N 2.99Å; L190-F193 PolarHBondContact O-N 2.97Å; L190-T194 HydrophobicContact CD1-CG2 3.87Å; L190-T194 HydrophobicContact CG-CG2 4.29Å; L190-T194 VanDerWaalsContact O-CB 3.31Å; L190-T194 WeakPolarHBondContact O-CB 3.44Å; L190-T194 WeakPolarHBondContact O-CG2 3.27Å; L190-T194 PolarHBondContact O-N 3.4Å; L190-T194 PolarHBondContact O-OG1 3.48Å; L190-L212 HydrophobicContact CD1-CD2 4.45Å; L190-L212 HydrophobicContact CD2-CD2 3.67Å; L190-F214 HydrophobicContact CD2-CE1 4.37Å; L190-F214 HydrophobicContact CD2-CE2 4.41Å; L190-F214 HydrophobicContact CD2-CZ 3.65Å; L190-I257 HydrophobicContact CD2-CD1 3.97Å; L190-I257 HydrophobicContact CD2-CG1 4.07Å; L190-I257 HydrophobicContact CD2-CG2 4.23Å
191	Q	92.1	Very high	88.7	Confident	57 Å²	57	39.5 Å²	39.5	27%	0.266	19%	0.189	S	C	.	.	H	α-helix	trans	-59.4	-48.7	174.4	168.9	172.9	38.1	0	0	111.3	L187 Q188 H189 F193 T194 E195 V253	L187-Q191 WeakPolarHBondContact O-CB 3.26Å; L187-Q191 PolarHBondContact O-N 3.36Å; Q188-Q191 WeakPolarHBondContact O-CB 3.38Å; Q188-Q191 PolarHBondContact O-N 2.94Å; H189-Q191 VanDerWaalsContact C-N 3.31Å; H189-Q191 PolarHBondContact O-N 3.45Å; Q191-F193 PolarHBondContact O-N 2.96Å; Q191-T194 WeakPolarHBondContact CA-OG1 3.38Å; Q191-T194 PolarHBondContact O-N 2.9Å; Q191-T194 PolarHBondContact O-OG1 2.93Å; Q191-E195 WeakPolarHBondContact O-CB 3.48Å; Q191-E195 PolarHBondContact O-N 3.02Å; Q191-V253 VanDerWaalsContact OE1-CG2 3.25Å
192	L	88.3	Confident	87.6	Confident	61 Å²	61	44 Å²	44	32%	0.319	21%	0.208	S	C	.	.	H	α-helix	trans	-59.2	-48	180	178.7	64.9	0	0	0	111.4	L157 Q188 H189 Y196	L157-L192 HydrophobicContact CD1-CD2 4.36Å; L157-L192 HydrophobicContact CD2-CD2 4.1Å; L157-L192 HydrophobicContact CG-CD2 4.43Å; Q188-L192 PolarHBondContact O-N 3.02Å; H189-L192 PolarHBondContact O-N 3.17Å; L192-Y196 WeakPolarHBondContact O-CB 3.46Å; L192-Y196 PolarHBondContact O-N 2.87Å
193	F	87.9	Confident	86.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-70.5	-36	-177.2	-54.5	-31.3	0	0	0	112.6	T150 F151 L157 A161 F164 H189 L190 Q191 Y196 G197	T150-F193 HydrophobicContact CG2-CE2 3.92Å; T150-F193 HydrophobicContact CG2-CZ 4.17Å; F151-F193 HydrophobicContact CE2-CZ 4.19Å; F151-F193 AromaticContact CZ-CZ 3.86Å; F151-F193 HydrophobicContact CZ-CZ 3.86Å; L157-F193 HydrophobicContact CD1-CE1 4.32Å; A161-F193 VanDerWaalsContact CA-CD1 3.45Å; A161-F193 HydrophobicContact CB-CD1 3.55Å; A161-F193 HydrophobicContact CB-CE1 3.76Å; F164-F193 HydrophobicContact CB-CB 4.12Å; F164-F193 HydrophobicContact CB-CD2 3.85Å; F164-F193 HydrophobicContact CB-CE2 4.43Å; F164-F193 HydrophobicContact CB-CG 4Å; F164-F193 HydrophobicContact CD1-CB 3.26Å; F164-F193 AromaticContact CD1-CD2 3.62Å; F164-F193 HydrophobicContact CD1-CD2 3.62Å; F164-F193 AromaticContact CD1-CG 3.81Å; F164-F193 HydrophobicContact CD1-CG 3.81Å; F164-F193 AromaticContact CD2-CD2 3.74Å; F164-F193 HydrophobicContact CD2-CD2 3.74Å; F164-F193 HydrophobicContact CD2-CE2 4.21Å; F164-F193 HydrophobicContact CE1-CB 3.86Å; F164-F193 HydrophobicContact CE1-CD2 4.06Å; F164-F193 HydrophobicContact CE1-CG 4.46Å; F164-F193 HydrophobicContact CE2-CD2 4.17Å; F164-F193 HydrophobicContact CG-CB 3.85Å; F164-F193 AromaticContact CG-CD2 3.43Å; F164-F193 HydrophobicContact CG-CD2 3.43Å; F164-F193 VanDerWaalsContact CG-CD2 3.43Å; F164-F193 HydrophobicContact CG-CE2 4.22Å; F164-F193 AromaticContact CG-CG 3.89Å; F164-F193 HydrophobicContact CG-CG 3.89Å; F164-F193 HydrophobicContact CZ-CD2 4.32Å; H189-F193 HydrophobicContact CB-CE2 3.95Å; H189-F193 HydrophobicContact CB-CZ 4.23Å; H189-F193 WeakPolarHBondContact O-CD2 3.43Å; H189-F193 WeakPolarHBondContact O-CG 3.32Å; H189-F193 PolarHBondContact O-N 3.32Å; L190-F193 PolarHBondContact O-N 2.97Å; Q191-F193 PolarHBondContact O-N 2.96Å; F193-Y196 PolarHBondContact O-N 3.27Å; F193-G197 PolarHBondContact O-N 3.39Å
194	T	87.6	Confident	85.8	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-72.1	-37.3	177.2	52.5	0	0	0	0	112.2	L190 Q191 G197 R198 F209 H256 F261	L190-T194 HydrophobicContact CD1-CG2 3.87Å; L190-T194 HydrophobicContact CG-CG2 4.29Å; L190-T194 VanDerWaalsContact O-CB 3.31Å; L190-T194 WeakPolarHBondContact O-CB 3.44Å; L190-T194 WeakPolarHBondContact O-CG2 3.27Å; L190-T194 PolarHBondContact O-N 3.4Å; L190-T194 PolarHBondContact O-OG1 3.48Å; Q191-T194 WeakPolarHBondContact CA-OG1 3.38Å; Q191-T194 PolarHBondContact O-N 2.9Å; Q191-T194 PolarHBondContact O-OG1 2.93Å; T194-G197 PolarHBondContact O-N 3.5Å; T194-R198 WeakPolarHBondContact O-CB 3.41Å; T194-R198 PolarHBondContact O-N 3.3Å; T194-F209 HydrophobicContact CG2-CD2 4.47Å; T194-F209 HydrophobicContact CG2-CE2 4.1Å; T194-H256 PolarHBondContact OG1-NE2 3.29Å; T194-H256 VanDerWaalsContact OG1-NE2 3.09Å; T194-F261 HydrophobicContact CG2-CE2 3.7Å; T194-F261 HydrophobicContact CG2-CZ 3.71Å
195	E	87.4	Confident	85.2	Confident	71 Å²	71	58.1 Å²	58.1	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-66.7	-40.4	172.8	-170.4	66.1	178.9	0	0	110.9	Q191 G197 R198 L199 H256	Q191-E195 WeakPolarHBondContact O-CB 3.48Å; Q191-E195 PolarHBondContact O-N 3.02Å; E195-G197 VanDerWaalsContact C-N 3.3Å; E195-G197 PolarHBondContact O-N 3.35Å; E195-R198 PolarHBondContact O-N 3.42Å; E195-R198 VanDerWaalsContact O-N 3.15Å; E195-R198 IonicContact OE2-NH1 3.51Å; E195-L199 WeakPolarHBondContact O-CG 3.39Å; E195-L199 PolarHBondContact O-N 3.14Å; E195-H256 IonicContact OE2-CE1 3.93Å; E195-H256 PolarHBondContact OE2-CE1 2.85Å; E195-H256 IonicContact OE2-ND1 3.87Å; E195-H256 IonicContact OE2-NE2 3.39Å
196	Y	83.1	Confident	85.1	Confident	9 Å²	9	59.8 Å²	59.8	4%	0.035	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-35.2	174.4	-163.3	-120.5	0	0	0	113	A161 A165 L192 F193 Y336 L341 P342 P344	A161-Y196 HydrophobicContact CB-CD1 4.03Å; A161-Y196 HydrophobicContact CB-CE1 4.45Å; A165-Y196 HydrophobicContact CB-CD1 4.19Å; L192-Y196 WeakPolarHBondContact O-CB 3.46Å; L192-Y196 PolarHBondContact O-N 2.87Å; F193-Y196 PolarHBondContact O-N 3.27Å; Y196-Y336 HydrophobicContact CD1-CD1 4.36Å; Y196-Y336 AromaticContact CD1-CE1 3.63Å; Y196-Y336 HydrophobicContact CD1-CE1 3.63Å; Y196-Y336 AromaticContact CE1-CD1 3.54Å; Y196-Y336 HydrophobicContact CE1-CD1 3.54Å; Y196-Y336 AromaticContact CE1-CE1 3.24Å; Y196-Y336 HydrophobicContact CE1-CE1 3.24Å; Y196-Y336 HydrophobicContact CE2-CE1 4.42Å; Y196-Y336 HydrophobicContact CG-CE1 4.39Å; Y196-Y336 AromaticContact CZ-CD1 3.79Å; Y196-Y336 AromaticContact CZ-CE1 3.69Å; Y196-Y336 PolarHBondContact O-OH 2.89Å; Y196-Y336 VanDerWaalsContact O-OH 3.1Å; Y196-L341 HydrophobicContact CE2-CB 4.06Å; Y196-L341 HydrophobicContact CE2-CD1 4.31Å; Y196-P342 VanDerWaalsContact CE2-O 3.26Å; Y196-P342 WeakPolarHBondContact CE2-O 3.44Å; Y196-P344 HydrophobicContact CD1-CG 4.12Å; Y196-P344 HydrophobicContact CD2-CG 3.75Å; Y196-P344 HydrophobicContact CE1-CG 4.02Å; Y196-P344 HydrophobicContact CE2-CG 3.7Å; Y196-P344 HydrophobicContact CG-CG 3.98Å
197	G	83	Confident	85	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-50.3	168.3	0	0	0	0	0	112.2	F193 T194 E195 L199 A200 M201 Y336	F193-G197 PolarHBondContact O-N 3.39Å; T194-G197 PolarHBondContact O-N 3.5Å; E195-G197 VanDerWaalsContact C-N 3.3Å; E195-G197 PolarHBondContact O-N 3.35Å; G197-L199 VanDerWaalsContact C-N 3.3Å; G197-L199 PolarHBondContact O-N 3.43Å; G197-A200 WeakPolarHBondContact O-CB 3.37Å; G197-A200 PolarHBondContact O-N 3.45Å; G197-M201 WeakPolarHBondContact O-CG 3.42Å; G197-M201 PolarHBondContact O-N 2.85Å; G197-Y336 WeakPolarHBondContact CA-OH 3.37Å
198	R	85	Confident	84.7	Confident	120 Å²	120	64 Å²	64	45%	0.453	30%	0.302	S	S	.	.	H	α-helix	trans	-59.7	-37.3	-177.3	-172.4	-179.1	178.3	-166.3	-1.8	113.1	T194 E195 A200 M201	T194-R198 WeakPolarHBondContact O-CB 3.41Å; T194-R198 PolarHBondContact O-N 3.3Å; E195-R198 PolarHBondContact O-N 3.42Å; E195-R198 VanDerWaalsContact O-N 3.15Å; E195-R198 IonicContact OE2-NH1 3.51Å; R198-A200 PolarHBondContact O-N 3.23Å; R198-M201 PolarHBondContact O-N 3.23Å; R198-M201 VanDerWaalsContact O-N 3.12Å
199	L	83.9	Confident	84.9	Confident	84 Å²	84	61.8 Å²	61.8	44%	0.44	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-25.2	176.5	-69.3	172.7	0	0	0	113.4	E195 G197 L341 P342	E195-L199 WeakPolarHBondContact O-CG 3.39Å; E195-L199 PolarHBondContact O-N 3.14Å; G197-L199 VanDerWaalsContact C-N 3.3Å; G197-L199 PolarHBondContact O-N 3.43Å; L199-L341 HydrophobicContact CB-CD2 3.82Å; L199-P342 HydrophobicContact CD1-CG 3.91Å
200	A	77.6	Confident	85.2	Confident	8 Å²	8	61.1 Å²	61.1	7%	0.066	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-7.4	177.1	0	0	0	0	0	113.2	M169 G197 R198 I335 Y336 L341	M169-A200 HydrophobicContact CE-CB 4.26Å; M169-A200 HydrophobicContact SD-CB 4.12Å; G197-A200 WeakPolarHBondContact O-CB 3.37Å; G197-A200 PolarHBondContact O-N 3.45Å; R198-A200 PolarHBondContact O-N 3.23Å; A200-I335 HydrophobicContact CB-CD1 4.43Å; A200-I335 HydrophobicContact CB-CG2 4.12Å; A200-I335 WeakPolarHBondContact O-CD1 3.49Å; A200-Y336 HydrophobicContact CB-CE1 4.27Å; A200-Y336 HydrophobicContact CB-CE2 4.37Å; A200-L341 HydrophobicContact CB-CD1 3.98Å
201	M	76.3	Confident	85.4	Confident	21 Å²	21	61.5 Å²	61.5	10%	0.103	29%	0.291	C	S	.	.	S	Bend	trans	-100.1	155.2	-177.6	-64.6	178.7	71.3	0	0	111.1	M169 G197 R198 P208 F209 Y332	M169-M201 HydrophobicContact CG-CG 4.25Å; M169-M201 HydrophobicContact CG-SD 3.9Å; M169-M201 HydrophobicContact SD-CG 3.59Å; M169-M201 VanDerWaalsContact SD-CG 3.59Å; M169-M201 HydrophobicContact SD-SD 4.04Å; G197-M201 WeakPolarHBondContact O-CG 3.42Å; G197-M201 PolarHBondContact O-N 2.85Å; R198-M201 PolarHBondContact O-N 3.23Å; R198-M201 VanDerWaalsContact O-N 3.12Å; M201-P208 HydrophobicContact CE-CB 4.06Å; M201-P208 HydrophobicContact SD-CB 3.96Å; M201-F209 HydrophobicContact CE-CE1 4.47Å; M201-F209 HydrophobicContact SD-CD1 4.38Å; M201-F209 HydrophobicContact SD-CE1 3.52Å; M201-F209 VanDerWaalsContact SD-CE1 3.52Å; M201-F209 HydrophobicContact SD-CZ 4.06Å; M201-Y332 HydrophobicContact CG-CE1 4.39Å
202	E	73.9	Confident	85.7	Confident	137 Å²	137	58.8 Å²	58.8	64%	0.64	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-62.9	145.4	172.6	-64.9	174.1	177	0	0	111.1	T204 N316	E202-T204 PolarHBondContact O-N 3.12Å; E202-N316 PolarHBondContact OE2-ND2 3.4Å
203	E	75.8	Confident	86.2	Confident	203 Å²	203	56.6 Å²	56.6	95%	0.949	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-62.9	123	175.2	-68.8	-168	166.7	0	0	110.6
204	T	77	Confident	86.7	Confident	48 Å²	48	56.6 Å²	56.6	29%	0.294	27%	0.267	S	S	.	.			trans	-137	147.6	178.9	-177.9	0	0	0	0	110.7	E202 L206 N316	E202-T204 PolarHBondContact O-N 3.12Å; T204-L206 VanDerWaalsContact C-N 3.25Å; T204-L206 PolarHBondContact OG1-N 3.43Å; T204-N316 WeakPolarHBondContact CB-OD1 3.33Å
205	F	80.7	Confident	87.2	Confident	224 Å²	224	56.5 Å²	56.5	98%	0.982	27%	0.267	S	S	*	.	S	Bend	trans	-77.7	-14.9	172.5	-66	-74.8	0	0	0	112.5
206	L	88.4	Confident	87.7	Confident	102 Å²	102	53.1 Å²	53.1	53%	0.534	25%	0.251	S	S	.	.	S	Bend	trans	-81.1	162.1	176.7	-58.9	179	0	0	0	110.5	T204	T204-L206 VanDerWaalsContact C-N 3.25Å; T204-L206 PolarHBondContact OG1-N 3.43Å
207	K	90.6	Very high	88.3	Confident	94 Å²	94	53.3 Å²	53.3	41%	0.409	25%	0.251	S	S	.	.			trans	-66.3	136.6	170.2	-60.4	-164	-172.9	-177.9	0	109.4	F209 H258 S259 F261 T262	K207-F209 VanDerWaalsContact C-N 3.35Å; K207-F209 PolarHBondContact O-N 2.99Å; K207-H258 WeakPolarHBondContact CE-O 3.28Å; K207-H258 PolarHBondContact NZ-O 3.21Å; K207-S259 VanDerWaalsContact CG-O 3.32Å; K207-S259 WeakPolarHBondContact CG-O 3.5Å; K207-F261 VanDerWaalsContact CD-C 3.47Å; K207-F261 WeakPolarHBondContact CD-O 3.01Å; K207-F261 PolarHBondContact NZ-O 2.6Å; K207-T262 HydrophobicContact CB-CG2 4.16Å; K207-T262 HydrophobicContact CD-CG2 4.48Å
208	P	88.5	Confident	89	Confident	17 Å²	17	54.9 Å²	54.9	11%	0.11	26%	0.26	C	S	.	.	S	Bend	trans	-69.6	-30.8	-173.6	26	-34.6	0	0	0	113.3	M201 C260	M201-P208 HydrophobicContact CE-CB 4.06Å; M201-P208 HydrophobicContact SD-CB 3.96Å; P208-C260 VanDerWaalsContact CD-O 3.3Å; P208-C260 WeakPolarHBondContact CD-O 3.38Å; P208-C260 HydrophobicContact CG-CB 4.48Å; P208-C260 WeakPolarHBondContact CG-O 3.35Å
209	F	94.1	Very high	89.6	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	158.8	-174.4	-47	-52.9	0	0	0	112	T168 M169 T194 M201 K207 C260 F261 T262	T168-F209 HydrophobicContact CG2-CD1 3.95Å; T168-F209 HydrophobicContact CG2-CD2 3.99Å; T168-F209 HydrophobicContact CG2-CE1 4.11Å; T168-F209 HydrophobicContact CG2-CE2 4.16Å; T168-F209 HydrophobicContact CG2-CG 3.91Å; T168-F209 HydrophobicContact CG2-CZ 4.22Å; M169-F209 HydrophobicContact CG-CE1 3.84Å; M169-F209 HydrophobicContact CG-CZ 4.41Å; T194-F209 HydrophobicContact CG2-CD2 4.47Å; T194-F209 HydrophobicContact CG2-CE2 4.1Å; M201-F209 HydrophobicContact CE-CE1 4.47Å; M201-F209 HydrophobicContact SD-CD1 4.38Å; M201-F209 HydrophobicContact SD-CE1 3.52Å; M201-F209 VanDerWaalsContact SD-CE1 3.52Å; M201-F209 HydrophobicContact SD-CZ 4.06Å; K207-F209 VanDerWaalsContact C-N 3.35Å; K207-F209 PolarHBondContact O-N 2.99Å; F209-C260 WeakPolarHBondContact CB-O 3.27Å; F209-C260 HydrophobicContact CD2-CB 3.98Å; F209-C260 HydrophobicContact CE2-CB 4.33Å; F209-C260 PolarHBondContact N-O 3.01Å; F209-F261 HydrophobicContact CB-CD1 3.35Å; F209-F261 HydrophobicContact CB-CE1 3.4Å; F209-F261 HydrophobicContact CB-CG 4.18Å; F209-F261 HydrophobicContact CB-CZ 4.26Å; F209-F261 HydrophobicContact CD2-CD1 4.25Å; F209-F261 AromaticContact CD2-CE1 3.77Å; F209-F261 HydrophobicContact CD2-CE1 3.77Å; F209-F261 HydrophobicContact CD2-CE2 4.2Å; F209-F261 AromaticContact CD2-CZ 3.74Å; F209-F261 HydrophobicContact CD2-CZ 3.74Å; F209-F261 HydrophobicContact CG-CD1 4.22Å; F209-F261 AromaticContact CG-CE1 3.85Å; F209-F261 HydrophobicContact CG-CE1 3.85Å; F209-F261 HydrophobicContact CG-CZ 4.29Å; F209-F261 WeakPolarHBondContact O-CA 3.5Å; F209-T262 PolarHBondContact O-N 3.3Å
210	Q	95.3	Very high	90.2	Very high	22 Å²	22	48.6 Å²	48.6	10%	0.103	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-98.9	-175.5	-64	173.4	-80.6	0	0	111.1	S172 T262 N263 I312	S172-Q210 WeakPolarHBondContact O-CB 3.48Å; Q210-T262 VanDerWaalsContact C-OG1 3.26Å; Q210-T262 VanDerWaalsContact CA-OG1 3.25Å; Q210-T262 WeakPolarHBondContact CA-OG1 3.38Å; Q210-T262 PolarHBondContact O-N 3.1Å; Q210-T262 PolarHBondContact O-OG1 3.08Å; Q210-N263 PolarHBondContact O-N 3.3Å; Q210-N263 VanDerWaalsContact O-N 3.07Å; Q210-I312 PolarHBondContact NE2-O 3.16Å
211	S	97.4	Very high	91.2	Very high	8 Å²	8	51.8 Å²	51.8	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.4	-170.4	-70.9	0	0	0	0	111.8	S172 Q174 N263 D311	S172-S211 PolarHBondContact O-N 3.08Å; Q174-S211 PolarHBondContact N-O 3.22Å; S211-N263 WeakPolarHBondContact CA-O 3.15Å; S211-D311 PolarHBondContact OG-OD2 2.89Å
212	L	97.9	Very high	92.1	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.7	170.6	177	67.1	0	0	0	110.4	Q174 L190 F214 I257 F261 N263 I264 S265	Q174-L212 HydrophobicContact CB-CD1 4.33Å; Q174-L212 HydrophobicContact CG-CD1 4.12Å; Q174-L212 WeakPolarHBondContact O-CA 3.45Å; L190-L212 HydrophobicContact CD1-CD2 4.45Å; L190-L212 HydrophobicContact CD2-CD2 3.67Å; L212-F214 HydrophobicContact CD2-CD2 4.26Å; L212-F214 HydrophobicContact CD2-CE2 3.5Å; L212-F214 VanDerWaalsContact CD2-CE2 3.5Å; L212-F214 HydrophobicContact CD2-CZ 4.04Å; L212-F214 HydrophobicContact CG-CD2 4.33Å; L212-F214 HydrophobicContact CG-CE2 4.05Å; L212-I257 HydrophobicContact CD2-CG2 4.35Å; L212-F261 HydrophobicContact CB-CB 4.24Å; L212-F261 HydrophobicContact CB-CD1 3.52Å; L212-F261 HydrophobicContact CB-CD2 4.05Å; L212-F261 HydrophobicContact CB-CE1 3.78Å; L212-F261 HydrophobicContact CB-CE2 4.28Å; L212-F261 HydrophobicContact CB-CG 3.66Å; L212-F261 HydrophobicContact CB-CZ 4.15Å; L212-F261 HydrophobicContact CD1-CE1 4.35Å; L212-F261 HydrophobicContact CD1-CZ 4.2Å; L212-F261 HydrophobicContact CD2-CD2 3.77Å; L212-F261 HydrophobicContact CD2-CE2 3.64Å; L212-F261 HydrophobicContact CD2-CG 4.28Å; L212-F261 HydrophobicContact CD2-CZ 4.04Å; L212-F261 HydrophobicContact CG-CE1 4.43Å; L212-F261 HydrophobicContact CG-CE2 4.4Å; L212-F261 HydrophobicContact CG-CZ 4.36Å; L212-N263 PolarHBondContact N-O 3.5Å; L212-I264 HydrophobicContact CD2-CG2 4.46Å; L212-I264 WeakPolarHBondContact O-CA 3.27Å; L212-S265 PolarHBondContact O-N 3.41Å
213	I	98.1	Very high	93.2	Very high	14 Å²	14	55.5 Å²	55.5	7%	0.072	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	112.8	-177.9	-59	179.1	0	0	0	109.6	I173 Q174 Y176 L215 S265 W303 L304	I173-I213 HydrophobicContact CG2-CD1 3.74Å; Q174-I213 PolarHBondContact O-N 3.49Å; Y176-I213 PolarHBondContact N-O 3.38Å; I213-L215 PolarHBondContact O-N 3Å; I213-S265 WeakPolarHBondContact CA-O 3.32Å; I213-W303 HydrophobicContact CD1-CH2 3.88Å; I213-W303 HydrophobicContact CD1-CZ3 3.83Å; I213-W303 HydrophobicContact CG1-CH2 4.18Å; I213-W303 HydrophobicContact CG1-CZ3 4.43Å; I213-W303 HydrophobicContact CG2-CH2 3.86Å; I213-W303 HydrophobicContact CG2-CZ3 3.66Å; I213-L304 HydrophobicContact CD1-CD2 3.1Å; I213-L304 HydrophobicContact CG1-CD2 4.41Å; I213-L304 HydrophobicContact CG2-CD2 4.33Å
214	F	98.4	Very high	94.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	102.8	169.7	-74.7	-99.6	0	0	0	109	Y176 L178 V182 L187 L190 L212 L236 L240 I264 S265 C266 F267	Y176-F214 HydrophobicContact CD1-CD1 4Å; Y176-F214 AromaticContact CD1-CE1 3.74Å; Y176-F214 HydrophobicContact CD1-CE1 3.74Å; Y176-F214 HydrophobicContact CD1-CZ 4.34Å; Y176-F214 HydrophobicContact CE1-CE1 4.12Å; L178-F214 HydrophobicContact CD1-CD1 3.6Å; L178-F214 HydrophobicContact CD1-CE1 4.11Å; V182-F214 HydrophobicContact CG1-CD1 4.2Å; V182-F214 HydrophobicContact CG1-CE1 4.04Å; V182-F214 HydrophobicContact CG2-CD1 3.99Å; L187-F214 HydrophobicContact CD2-CE1 3.89Å; L187-F214 HydrophobicContact CD2-CZ 3.99Å; L190-F214 HydrophobicContact CD2-CE1 4.37Å; L190-F214 HydrophobicContact CD2-CE2 4.41Å; L190-F214 HydrophobicContact CD2-CZ 3.65Å; L212-F214 HydrophobicContact CD2-CD2 4.26Å; L212-F214 HydrophobicContact CD2-CE2 3.5Å; L212-F214 VanDerWaalsContact CD2-CE2 3.5Å; L212-F214 HydrophobicContact CD2-CZ 4.04Å; L212-F214 HydrophobicContact CG-CD2 4.33Å; L212-F214 HydrophobicContact CG-CE2 4.05Å; F214-L236 HydrophobicContact CB-CD1 4.28Å; F214-L236 HydrophobicContact CD1-CD1 4.17Å; F214-L236 HydrophobicContact CD2-CD1 3.85Å; F214-L236 HydrophobicContact CD2-CD2 3.72Å; F214-L236 HydrophobicContact CD2-CG 4.48Å; F214-L236 HydrophobicContact CE2-CD1 4.21Å; F214-L236 HydrophobicContact CE2-CD2 4.25Å; F214-L236 HydrophobicContact CG-CD1 3.84Å; F214-L236 HydrophobicContact CG-CD2 4.34Å; F214-L240 HydrophobicContact CE2-CD1 4.44Å; F214-I264 HydrophobicContact CD2-CG2 4Å; F214-I264 HydrophobicContact CE2-CG2 3.82Å; F214-S265 PolarHBondContact N-O 3.4Å; F214-C266 HydrophobicContact CB-CB 4.04Å; F214-C266 CarbonylContact O-C 3.48Å; F214-C266 VanDerWaalsContact O-CA 3.24Å; F214-C266 WeakPolarHBondContact O-CA 3.44Å; F214-C266 PolarHBondContact O-SG 2.88Å; F214-F267 PolarHBondContact O-N 2.83Å
215	L	98.4	Very high	95.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	103.6	173.2	177.9	63.1	0	0	0	109	L83 V175 Y176 L178 I213 R217 F267 L269 L300	L83-L215 HydrophobicContact CD1-CD2 4.46Å; L83-L215 HydrophobicContact CD2-CD2 3.26Å; L83-L215 HydrophobicContact CG-CD2 4.47Å; V175-L215 HydrophobicContact CG1-CB 3.72Å; V175-L215 HydrophobicContact CG1-CD2 3.95Å; Y176-L215 PolarHBondContact O-N 3.4Å; L178-L215 PolarHBondContact N-O 3.38Å; I213-L215 PolarHBondContact O-N 3Å; L215-R217 PolarHBondContact O-N 3.29Å; L215-F267 HydrophobicContact CD1-CB 4.11Å; L215-F267 HydrophobicContact CD1-CD1 4.09Å; L215-F267 HydrophobicContact CD1-CG 4.46Å; L215-L269 HydrophobicContact CD1-CB 4.19Å; L215-L269 HydrophobicContact CD1-CD2 4.49Å; L215-L300 HydrophobicContact CD1-CD1 4.13Å; L215-L300 HydrophobicContact CD1-CD2 3.75Å; L215-L300 HydrophobicContact CD2-CD2 4.21Å
216	V	98.1	Very high	96	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	107	179.2	-172.9	0	0	0	0	108.9	Q180 V182 W219 F235 F267 L268 L269	Q180-V216 VanDerWaalsContact O-CG1 3.27Å; Q180-V216 WeakPolarHBondContact O-CG1 3.43Å; V182-V216 HydrophobicContact CG2-CG2 3.83Å; V216-W219 HydrophobicContact CG1-CE3 4.05Å; V216-F235 HydrophobicContact CG2-CE1 4.45Å; V216-F267 PolarHBondContact N-O 3.02Å; V216-L268 HydrophobicContact CB-CD2 3.74Å; V216-L268 HydrophobicContact CG1-CD2 4.36Å; V216-L268 HydrophobicContact CG2-CD2 3.84Å; V216-L269 PolarHBondContact O-N 3.33Å
217	R	96.8	Very high	96.5	Very high	12 Å²	12	39.9 Å²	39.9	5%	0.045	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	154.2	176.2	-53	-61	-66.8	-86.5	-0.1	110.4	K78 G79 N177 L178 Q180 L215 W219	K78-R217 PolarHBondContact O-NH1 2.98Å; G79-R217 PolarHBondContact O-NH1 3.26Å; N177-R217 VanDerWaalsContact OD1-CD 3.28Å; N177-R217 WeakPolarHBondContact OD1-CD 3.29Å; N177-R217 VanDerWaalsContact OD1-CG 3.23Å; N177-R217 WeakPolarHBondContact OD1-CG 3.41Å; N177-R217 PolarHBondContact OD1-NH1 2.77Å; L178-R217 VanDerWaalsContact O-CB 3.27Å; L178-R217 WeakPolarHBondContact O-CB 2.99Å; L178-R217 VanDerWaalsContact O-CG 3.27Å; L178-R217 WeakPolarHBondContact O-CG 3.09Å; L178-R217 PolarHBondContact O-N 2.84Å; Q180-R217 WeakPolarHBondContact CA-O 3.32Å; Q180-R217 PolarHBondContact N-O 3.5Å; L215-R217 PolarHBondContact O-N 3.29Å; R217-W219 PolarHBondContact O-N 3.31Å; R217-W219 VanDerWaalsContact O-N 3.15Å
218	D	96.5	Very high	96.8	Very high	34 Å²	34	35.7 Å²	35.7	18%	0.182	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	33.8	173.7	-48.4	-26.5	0	0	0	113.4	Q180 S220 L269 H271 P272	Q180-D218 HydrophobicContact CG-CB 4.17Å; D218-S220 PolarHBondContact O-N 2.69Å; D218-S220 PolarHBondContact O-OG 3.39Å; D218-S220 VanDerWaalsContact O-OG 3.05Å; D218-L269 PolarHBondContact N-O 3.42Å; D218-L269 VanDerWaalsContact N-O 3.14Å; D218-H271 HydrophobicContact CB-CB 4.3Å; D218-H271 VanDerWaalsContact CG-CD2 3.5Å; D218-H271 WeakPolarHBondContact OD1-CA 3.18Å; D218-H271 IonicContact OD1-CD2 3.73Å; D218-H271 PolarHBondContact OD1-CD2 3.46Å; D218-H271 IonicContact OD1-CG 3.8Å; D218-H271 IonicContact OD2-CD2 3.87Å; D218-P272 VanDerWaalsContact OD1-CD 3.24Å; D218-P272 WeakPolarHBondContact OD1-CD 3.5Å
219	W	97.9	Very high	97.3	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.019	19%	0.186	C	C	.	.			trans	-58.1	125.3	177	178.9	-110.9	0	0	0	109.5	Q180 V216 R217 F221 F225 Y227 F235 L268 L269	Q180-W219 VanDerWaalsContact O-CE3 3.26Å; V216-W219 HydrophobicContact CG1-CE3 4.05Å; R217-W219 PolarHBondContact O-N 3.31Å; R217-W219 VanDerWaalsContact O-N 3.15Å; W219-F221 HydrophobicContact CE3-CD2 4.38Å; W219-F221 HydrophobicContact CH2-CB 4.26Å; W219-F221 AromaticContact CH2-CD2 3.79Å; W219-F221 HydrophobicContact CH2-CD2 3.79Å; W219-F221 HydrophobicContact CZ2-CB 3.65Å; W219-F221 HydrophobicContact CZ2-CD2 4.03Å; W219-F221 HydrophobicContact CZ2-CG 4.35Å; W219-F221 AromaticContact CZ3-CD2 3.99Å; W219-F221 HydrophobicContact CZ3-CD2 3.99Å; W219-F221 PolarHBondContact NE1-O 3.19Å; W219-F221 VanDerWaalsContact NE1-O 3.14Å; W219-F225 HydrophobicContact CH2-CD2 4.39Å; W219-F225 HydrophobicContact CZ2-CB 4.05Å; W219-F225 HydrophobicContact CZ2-CD2 4Å; W219-F225 PolarHBondContact NE1-O 3.46Å; W219-Y227 HydrophobicContact CB-CD1 4.35Å; W219-Y227 HydrophobicContact CB-CE1 4.04Å; W219-Y227 AromaticContact CD1-CD1 3.73Å; W219-Y227 AromaticContact CD1-CE1 3.56Å; W219-Y227 HydrophobicContact CG-CD1 4.44Å; W219-Y227 HydrophobicContact CG-CE1 4.2Å; W219-Y227 WeakPolarHBondContact O-CE1 3.47Å; W219-Y227 PolarHBondContact O-OH 2.73Å; W219-F235 AromaticContact CH2-CD2 3.59Å; W219-F235 HydrophobicContact CH2-CD2 3.59Å; W219-F235 AromaticContact CH2-CE2 3.36Å; W219-F235 HydrophobicContact CH2-CE2 3.36Å; W219-F235 HydrophobicContact CH2-CZ 4.26Å; W219-F235 HydrophobicContact CZ2-CD2 4.26Å; W219-F235 HydrophobicContact CZ2-CE2 4.42Å; W219-F235 HydrophobicContact CZ3-CD2 4.1Å; W219-F235 AromaticContact CZ3-CE2 3.52Å; W219-F235 HydrophobicContact CZ3-CE2 3.52Å; W219-F235 AromaticContact CZ3-CZ 3.97Å; W219-F235 HydrophobicContact CZ3-CZ 3.97Å; W219-L268 HydrophobicContact CB-CB 4.2Å; W219-L268 HydrophobicContact CD2-CD1 4.1Å; W219-L268 HydrophobicContact CD2-CD2 4.06Å; W219-L268 HydrophobicContact CD2-CG 4.44Å; W219-L268 HydrophobicContact CE3-CD2 4.11Å; W219-L268 HydrophobicContact CG-CB 3.99Å; W219-L268 HydrophobicContact CG-CD1 4.28Å; W219-L268 HydrophobicContact CG-CD2 4.34Å; W219-L268 HydrophobicContact CG-CG 4.42Å; W219-L268 HydrophobicContact CZ2-CD1 4.22Å; W219-L269 WeakPolarHBondContact CB-O 3.47Å; W219-L269 PolarHBondContact N-O 2.9Å
220	S	96.9	Very high	97.4	Very high	66 Å²	66	40.8 Å²	40.8	46%	0.462	21%	0.21	S	C	.	.			trans	-107.7	-1.3	-169.8	-60.1	0	0	0	0	113.7	D218 P222	D218-S220 PolarHBondContact O-N 2.69Å; D218-S220 PolarHBondContact O-OG 3.39Å; D218-S220 VanDerWaalsContact O-OG 3.05Å; S220-P222 WeakPolarHBondContact O-CD 3.42Å
221	F	97.3	Very high	97.5	Very high	75 Å²	75	39.8 Å²	39.8	33%	0.329	21%	0.205	S	C	.	.			trans	-123.1	52.5	-171.3	-43.8	-65	0	0	0	113.3	W219 Y223 E224 F225	W219-F221 HydrophobicContact CE3-CD2 4.38Å; W219-F221 HydrophobicContact CH2-CB 4.26Å; W219-F221 AromaticContact CH2-CD2 3.79Å; W219-F221 HydrophobicContact CH2-CD2 3.79Å; W219-F221 HydrophobicContact CZ2-CB 3.65Å; W219-F221 HydrophobicContact CZ2-CD2 4.03Å; W219-F221 HydrophobicContact CZ2-CG 4.35Å; W219-F221 AromaticContact CZ3-CD2 3.99Å; W219-F221 HydrophobicContact CZ3-CD2 3.99Å; W219-F221 PolarHBondContact NE1-O 3.19Å; W219-F221 VanDerWaalsContact NE1-O 3.14Å; F221-Y223 HydrophobicContact CB-CE1 4.42Å; F221-Y223 HydrophobicContact CB-CE2 4.49Å; F221-Y223 HydrophobicContact CD1-CE1 4.26Å; F221-Y223 AromaticContact CD1-CZ 3.83Å; F221-Y223 VanDerWaalsContact CD1-OH 3.25Å; F221-Y223 WeakPolarHBondContact CD1-OH 3.5Å; F221-Y223 PolarHBondContact O-N 3.22Å; F221-Y223 VanDerWaalsContact O-N 3.1Å; F221-E224 HydrophobicContact CB-CB 4.5Å; F221-E224 PolarHBondContact O-N 2.78Å; F221-F225 PolarHBondContact O-N 2.92Å; F221-F225 VanDerWaalsContact O-N 3.16Å
222	P	96.7	Very high	97.6	Very high	49 Å²	49	39.4 Å²	39.4	32%	0.318	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.7	-179.3	27.9	-36.4	0	0	0	113.7	S220 F225 S226 Y227	S220-P222 WeakPolarHBondContact O-CD 3.42Å; P222-F225 VanDerWaalsContact CA-O 3.25Å; P222-F225 WeakPolarHBondContact CA-O 3.39Å; P222-F225 CarbonylContact O-C 3.5Å; P222-S226 WeakPolarHBondContact O-CA 3.49Å; P222-S226 PolarHBondContact O-N 2.69Å; P222-Y227 HydrophobicContact CB-CD1 4.4Å; P222-Y227 HydrophobicContact CB-CD2 4.03Å; P222-Y227 HydrophobicContact CB-CE1 4.01Å; P222-Y227 HydrophobicContact CB-CE2 3.62Å; P222-Y227 HydrophobicContact CB-CG 4.39Å; P222-Y227 HydrophobicContact CG-CE1 4.38Å; P222-Y227 HydrophobicContact CG-CE2 3.93Å; P222-Y227 WeakPolarHBondContact CG-OH 3.42Å
223	Y	95.9	Very high	97.6	Very high	188 Å²	188	41.9 Å²	41.9	74%	0.737	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-20	176.8	56	-100.3	0	0	0	113.7	F221	F221-Y223 HydrophobicContact CB-CE1 4.42Å; F221-Y223 HydrophobicContact CB-CE2 4.49Å; F221-Y223 HydrophobicContact CD1-CE1 4.26Å; F221-Y223 AromaticContact CD1-CZ 3.83Å; F221-Y223 VanDerWaalsContact CD1-OH 3.25Å; F221-Y223 WeakPolarHBondContact CD1-OH 3.5Å; F221-Y223 PolarHBondContact O-N 3.22Å; F221-Y223 VanDerWaalsContact O-N 3.1Å
224	E	96.8	Very high	97.6	Very high	104 Å²	104	46.3 Å²	46.3	49%	0.486	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-50	172.5	-170.2	-174.5	170.8	0	0	110.2	F221 K238	F221-E224 HydrophobicContact CB-CB 4.5Å; F221-E224 PolarHBondContact O-N 2.78Å; E224-K238 IonicContact OE1-NZ 2.91Å; E224-K238 PolarHBondContact OE1-NZ 3.24Å
225	F	98.1	Very high	97.6	Very high	28 Å²	28	46.4 Å²	46.4	12%	0.123	24%	0.243	C	C	.	.	S	Bend	trans	-132.3	117.6	174.4	-60.8	-78.9	0	0	0	108.5	W219 F221 P222 K234 F235 K238 L268	W219-F225 HydrophobicContact CH2-CD2 4.39Å; W219-F225 HydrophobicContact CZ2-CB 4.05Å; W219-F225 HydrophobicContact CZ2-CD2 4Å; W219-F225 PolarHBondContact NE1-O 3.46Å; F221-F225 PolarHBondContact O-N 2.92Å; F221-F225 VanDerWaalsContact O-N 3.16Å; P222-F225 VanDerWaalsContact CA-O 3.25Å; P222-F225 WeakPolarHBondContact CA-O 3.39Å; P222-F225 CarbonylContact O-C 3.5Å; F225-K234 HydrophobicContact CD1-CB 3.92Å; F225-K234 HydrophobicContact CE1-CB 3.93Å; F225-F235 HydrophobicContact CB-CB 4.28Å; F225-F235 HydrophobicContact CD1-CB 3.97Å; F225-F235 HydrophobicContact CD2-CB 4.05Å; F225-F235 AromaticContact CD2-CD2 3.8Å; F225-F235 HydrophobicContact CD2-CD2 3.8Å; F225-F235 HydrophobicContact CD2-CG 4.42Å; F225-F235 HydrophobicContact CE1-CB 4.32Å; F225-F235 HydrophobicContact CE2-CB 4.37Å; F225-F235 AromaticContact CE2-CD2 3.97Å; F225-F235 HydrophobicContact CE2-CD2 3.97Å; F225-F235 HydrophobicContact CG-CB 3.83Å; F225-F235 HydrophobicContact CG-CD2 4.41Å; F225-K238 HydrophobicContact CZ-CD 3.98Å; F225-L268 HydrophobicContact CB-CD1 3.72Å
226	S	98.1	Very high	97.5	Very high	58 Å²	58	46.9 Å²	46.9	41%	0.406	25%	0.245	S	C	.	.			trans	-60.2	156	-177.6	56.3	0	0	0	0	112.3	P222 G231	P222-S226 WeakPolarHBondContact O-CA 3.49Å; P222-S226 PolarHBondContact O-N 2.69Å; S226-G231 WeakPolarHBondContact O-CA 3.4Å
227	Y	98.4	Very high	97.4	Very high	59 Å²	59	53.9 Å²	53.9	23%	0.231	28%	0.278	C	S	.	.	S	Bend	trans	-58.9	157.9	171	-59.1	-53.7	0	0	0	111.9	W219 P222 P270 E292 N296	W219-Y227 HydrophobicContact CB-CD1 4.35Å; W219-Y227 HydrophobicContact CB-CE1 4.04Å; W219-Y227 AromaticContact CD1-CD1 3.73Å; W219-Y227 AromaticContact CD1-CE1 3.56Å; W219-Y227 HydrophobicContact CG-CD1 4.44Å; W219-Y227 HydrophobicContact CG-CE1 4.2Å; W219-Y227 WeakPolarHBondContact O-CE1 3.47Å; W219-Y227 PolarHBondContact O-OH 2.73Å; P222-Y227 HydrophobicContact CB-CD1 4.4Å; P222-Y227 HydrophobicContact CB-CD2 4.03Å; P222-Y227 HydrophobicContact CB-CE1 4.01Å; P222-Y227 HydrophobicContact CB-CE2 3.62Å; P222-Y227 HydrophobicContact CB-CG 4.39Å; P222-Y227 HydrophobicContact CG-CE1 4.38Å; P222-Y227 HydrophobicContact CG-CE2 3.93Å; P222-Y227 WeakPolarHBondContact CG-OH 3.42Å; Y227-P270 HydrophobicContact CD1-CB 4.14Å; Y227-P270 HydrophobicContact CD2-CB 4.36Å; Y227-P270 HydrophobicContact CE1-CB 3.7Å; Y227-P270 HydrophobicContact CE2-CB 3.93Å; Y227-P270 HydrophobicContact CG-CB 4.47Å; Y227-E292 HydrophobicContact CD2-CG 4.25Å; Y227-E292 HydrophobicContact CE2-CG 4.15Å; Y227-N296 VanDerWaalsContact CB-OD1 3.28Å; Y227-N296 WeakPolarHBondContact CB-OD1 3.32Å
228	G	97.7	Very high	97.3	Very high	6 Å²	6	59.7 Å²	59.7	6%	0.062	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	93	-168.9	179.5	0	0	0	0	0	115	G232 L268	G228-G232 PolarHBondContact O-N 3.34Å; G228-L268 PolarHBondContact N-O 3.2Å; G228-L268 PolarHBondContact O-N 3.15Å
229	A	97.7	Very high	97.3	Very high	31 Å²	31	61.4 Å²	61.4	26%	0.256	31%	0.308	S	S	.	.	H	α-helix	trans	-74.7	-35.2	-174.1	0	0	0	0	0	113.7	G232 A233 F267 W303	A229-G232 PolarHBondContact O-N 2.69Å; A229-A233 WeakPolarHBondContact O-CB 3.26Å; A229-A233 PolarHBondContact O-N 3.41Å; A229-F267 HydrophobicContact CB-CD2 4.01Å; A229-F267 HydrophobicContact CB-CE2 4.45Å; A229-W303 HydrophobicContact CB-CZ2 4.5Å
230	D	97.8	Very high	97.1	Very high	96 Å²	96	61.5 Å²	61.5	51%	0.513	31%	0.308	S	S	.	.	H	α-helix	trans	-66.2	-48.6	-178.9	175.7	67.7	0	0	0	112.1	G232 A233 K234	D230-G232 VanDerWaalsContact C-N 3.31Å; D230-G232 PolarHBondContact O-N 2.79Å; D230-A233 PolarHBondContact O-N 2.89Å; D230-K234 PolarHBondContact O-N 3.48Å; D230-K234 IonicContact OD1-NZ 3.97Å; D230-K234 PolarHBondContact OD1-NZ 3.48Å; D230-K234 IonicContact OD2-NZ 3.29Å; D230-K234 PolarHBondContact OD2-NZ 3.14Å
231	G	97.7	Very high	97	Very high	1 Å²	1	65 Å²	65	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-64.9	-38.3	174.1	0	0	0	0	0	111.7	S226 K234 F235	S226-G231 WeakPolarHBondContact O-CA 3.4Å; G231-K234 PolarHBondContact O-N 3.44Å; G231-F235 VanDerWaalsContact O-CB 3.25Å; G231-F235 WeakPolarHBondContact O-CB 3.21Å; G231-F235 PolarHBondContact O-N 3.29Å
232	G	98	Very high	96.9	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.4	-44.8	174.1	0	0	0	0	0	113.5	G228 A229 D230 F235 L236 C266	G228-G232 PolarHBondContact O-N 3.34Å; A229-G232 PolarHBondContact O-N 2.69Å; D230-G232 VanDerWaalsContact C-N 3.31Å; D230-G232 PolarHBondContact O-N 2.79Å; G232-F235 PolarHBondContact O-N 2.92Å; G232-L236 WeakPolarHBondContact O-CB 3.35Å; G232-L236 PolarHBondContact O-N 2.97Å; G232-C266 VanDerWaalsContact O-CB 3.28Å; G232-C266 WeakPolarHBondContact O-CB 3.26Å; G232-C266 PolarHBondContact O-SG 2.9Å
233	A	97.8	Very high	96.6	Very high	54 Å²	54	63.9 Å²	63.9	45%	0.446	32%	0.315	S	S	.	.	H	α-helix	trans	-60.1	-49.6	177.8	0	0	0	0	0	111.6	A229 D230 F235 L236 E237	A229-A233 WeakPolarHBondContact O-CB 3.26Å; A229-A233 PolarHBondContact O-N 3.41Å; D230-A233 PolarHBondContact O-N 2.89Å; A233-F235 VanDerWaalsContact C-N 3.34Å; A233-F235 PolarHBondContact O-N 3.09Å; A233-L236 PolarHBondContact O-N 2.91Å; A233-E237 WeakPolarHBondContact O-CB 3.33Å; A233-E237 PolarHBondContact O-N 2.99Å
234	K	98	Very high	96.3	Very high	107 Å²	107	58.2 Å²	58.2	47%	0.465	31%	0.314	S	S	.	.	H	α-helix	trans	-61.7	-41.9	177.6	-68	167	-176.8	157.8	0	112.2	F225 D230 G231 K238	F225-K234 HydrophobicContact CD1-CB 3.92Å; F225-K234 HydrophobicContact CE1-CB 3.93Å; D230-K234 PolarHBondContact O-N 3.48Å; D230-K234 IonicContact OD1-NZ 3.97Å; D230-K234 PolarHBondContact OD1-NZ 3.48Å; D230-K234 IonicContact OD2-NZ 3.29Å; D230-K234 PolarHBondContact OD2-NZ 3.14Å; G231-K234 PolarHBondContact O-N 3.44Å; K234-K238 PolarHBondContact O-N 3.39Å
235	F	98.1	Very high	96	Very high	2 Å²	2	61 Å²	61	1%	0.009	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-47.6	176.8	167.8	-93.4	0	0	0	111.7	N181 V182 V216 W219 F225 G231 G232 A233 K238 R239 L268	N181-F235 VanDerWaalsContact OD1-CZ 3.31Å; N181-F235 WeakPolarHBondContact OD1-CZ 3.42Å; V182-F235 HydrophobicContact CB-CE1 4.14Å; V182-F235 HydrophobicContact CB-CZ 4.28Å; V182-F235 HydrophobicContact CG2-CE1 3.67Å; V182-F235 HydrophobicContact CG2-CZ 4.17Å; V216-F235 HydrophobicContact CG2-CE1 4.45Å; W219-F235 AromaticContact CH2-CD2 3.59Å; W219-F235 HydrophobicContact CH2-CD2 3.59Å; W219-F235 AromaticContact CH2-CE2 3.36Å; W219-F235 HydrophobicContact CH2-CE2 3.36Å; W219-F235 HydrophobicContact CH2-CZ 4.26Å; W219-F235 HydrophobicContact CZ2-CD2 4.26Å; W219-F235 HydrophobicContact CZ2-CE2 4.42Å; W219-F235 HydrophobicContact CZ3-CD2 4.1Å; W219-F235 AromaticContact CZ3-CE2 3.52Å; W219-F235 HydrophobicContact CZ3-CE2 3.52Å; W219-F235 AromaticContact CZ3-CZ 3.97Å; W219-F235 HydrophobicContact CZ3-CZ 3.97Å; F225-F235 HydrophobicContact CB-CB 4.28Å; F225-F235 HydrophobicContact CD1-CB 3.97Å; F225-F235 HydrophobicContact CD2-CB 4.05Å; F225-F235 AromaticContact CD2-CD2 3.8Å; F225-F235 HydrophobicContact CD2-CD2 3.8Å; F225-F235 HydrophobicContact CD2-CG 4.42Å; F225-F235 HydrophobicContact CE1-CB 4.32Å; F225-F235 HydrophobicContact CE2-CB 4.37Å; F225-F235 AromaticContact CE2-CD2 3.97Å; F225-F235 HydrophobicContact CE2-CD2 3.97Å; F225-F235 HydrophobicContact CG-CB 3.83Å; F225-F235 HydrophobicContact CG-CD2 4.41Å; G231-F235 VanDerWaalsContact O-CB 3.25Å; G231-F235 WeakPolarHBondContact O-CB 3.21Å; G231-F235 PolarHBondContact O-N 3.29Å; G232-F235 PolarHBondContact O-N 2.92Å; A233-F235 VanDerWaalsContact C-N 3.34Å; A233-F235 PolarHBondContact O-N 3.09Å; F235-K238 PolarHBondContact O-N 2.94Å; F235-R239 PolarHBondContact O-N 2.88Å; F235-R239 VanDerWaalsContact O-N 3.09Å; F235-L268 HydrophobicContact CB-CD1 4.31Å; F235-L268 HydrophobicContact CD1-CD2 4.2Å; F235-L268 HydrophobicContact CG-CD2 4.46Å
236	L	97.5	Very high	95.5	Very high	10 Å²	10	62 Å²	62	5%	0.052	34%	0.338	C	S	.	.	H	α-helix	trans	-72.5	-37.9	-176.7	-168.6	73.2	0	0	0	111.6	F214 G232 A233 K238 R239 L240 I264 C266	F214-L236 HydrophobicContact CB-CD1 4.28Å; F214-L236 HydrophobicContact CD1-CD1 4.17Å; F214-L236 HydrophobicContact CD2-CD1 3.85Å; F214-L236 HydrophobicContact CD2-CD2 3.72Å; F214-L236 HydrophobicContact CD2-CG 4.48Å; F214-L236 HydrophobicContact CE2-CD1 4.21Å; F214-L236 HydrophobicContact CE2-CD2 4.25Å; F214-L236 HydrophobicContact CG-CD1 3.84Å; F214-L236 HydrophobicContact CG-CD2 4.34Å; G232-L236 WeakPolarHBondContact O-CB 3.35Å; G232-L236 PolarHBondContact O-N 2.97Å; A233-L236 PolarHBondContact O-N 2.91Å; L236-K238 VanDerWaalsContact C-N 3.29Å; L236-K238 PolarHBondContact O-N 3.4Å; L236-R239 PolarHBondContact O-N 3.44Å; L236-L240 HydrophobicContact CD1-CD1 3.98Å; L236-L240 HydrophobicContact CD1-CG 4.04Å; L236-L240 HydrophobicContact CD2-CD1 3.97Å; L236-L240 HydrophobicContact CG-CD1 3.83Å; L236-L240 HydrophobicContact CG-CG 4.12Å; L236-L240 PolarHBondContact O-N 3.01Å; L236-I264 HydrophobicContact CD2-CG2 3.62Å; L236-C266 HydrophobicContact CB-CB 3.6Å; L236-C266 HydrophobicContact CD1-CB 4.47Å; L236-C266 HydrophobicContact CD2-CB 3.83Å; L236-C266 HydrophobicContact CG-CB 4.14Å
237	E	96.1	Very high	95.2	Very high	147 Å²	147	65.4 Å²	65.4	69%	0.687	35%	0.347	S	S	*	.	H	α-helix	trans	-55.9	-46.9	173.6	-174	-174.3	179.7	0	0	110.4	A233 R239 K241	A233-E237 WeakPolarHBondContact O-CB 3.33Å; A233-E237 PolarHBondContact O-N 2.99Å; E237-R239 VanDerWaalsContact C-N 3.3Å; E237-R239 PolarHBondContact O-N 2.8Å; E237-K241 VanDerWaalsContact O-CB 3.3Å; E237-K241 WeakPolarHBondContact O-CB 3.42Å; E237-K241 PolarHBondContact O-N 2.91Å
238	K	95.3	Very high	94.9	Very high	133 Å²	133	68.9 Å²	68.9	58%	0.578	37%	0.365	S	S	*	.	H	α-helix	trans	-60.7	-38.5	174.4	-177.4	179.5	175.8	-176.1	0	112	E224 F225 K234 F235 L236	E224-K238 IonicContact OE1-NZ 2.91Å; E224-K238 PolarHBondContact OE1-NZ 3.24Å; F225-K238 HydrophobicContact CZ-CD 3.98Å; K234-K238 PolarHBondContact O-N 3.39Å; F235-K238 PolarHBondContact O-N 2.94Å; L236-K238 VanDerWaalsContact C-N 3.29Å; L236-K238 PolarHBondContact O-N 3.4Å
239	R	94.8	Very high	94.3	Very high	71 Å²	71	73.5 Å²	73.5	27%	0.268	39%	0.385	S	S	.	.	H	α-helix	trans	-76.1	-39.3	-175	-156.6	65.8	65.5	130.8	-0.1	113.2	N181 V182 F235 L236 E237 R254	N181-R239 PolarHBondContact OD1-NH1 3.45Å; N181-R239 PolarHBondContact OD1-NH2 3.42Å; V182-R239 HydrophobicContact CB-CG 4.35Å; V182-R239 HydrophobicContact CG1-CG 4.29Å; V182-R239 PolarHBondContact O-NH1 3.34Å; F235-R239 PolarHBondContact O-N 2.88Å; F235-R239 VanDerWaalsContact O-N 3.09Å; L236-R239 PolarHBondContact O-N 3.44Å; E237-R239 VanDerWaalsContact C-N 3.3Å; E237-R239 PolarHBondContact O-N 2.8Å; R239-R254 PolarHBondContact O-NE 3.17Å; R239-R254 PolarHBondContact O-NH2 3.33Å
240	L	95.1	Very high	93.9	Very high	6 Å²	6	74.6 Å²	74.6	3%	0.031	39%	0.386	C	S	.	.	H	α-helix	trans	-93.5	-2.1	-179.6	-65	-176.2	0	0	0	113.8	L187 F214 L236 V242 R254 I257 I264	L187-L240 HydrophobicContact CD1-CD2 4.01Å; L187-L240 HydrophobicContact CD2-CD2 3.96Å; F214-L240 HydrophobicContact CE2-CD1 4.44Å; L236-L240 HydrophobicContact CD1-CD1 3.98Å; L236-L240 HydrophobicContact CD1-CG 4.04Å; L236-L240 HydrophobicContact CD2-CD1 3.97Å; L236-L240 HydrophobicContact CG-CD1 3.83Å; L236-L240 HydrophobicContact CG-CG 4.12Å; L236-L240 PolarHBondContact O-N 3.01Å; L240-V242 PolarHBondContact O-N 3.42Å; L240-V242 VanDerWaalsContact O-N 3.14Å; L240-R254 HydrophobicContact CD2-CG 4.26Å; L240-I257 HydrophobicContact CD2-CD1 4.33Å; L240-I264 HydrophobicContact CD1-CG2 4.18Å
241	K	94.6	Very high	93.6	Very high	140 Å²	140	71.4 Å²	71.4	61%	0.609	37%	0.368	S	S	*	.			trans	-54.4	120.6	176	-173.3	171.4	-175.5	172.3	0	111.4	E237 Q246	E237-K241 VanDerWaalsContact O-CB 3.3Å; E237-K241 WeakPolarHBondContact O-CB 3.42Å; E237-K241 PolarHBondContact O-N 2.91Å; K241-Q246 PolarHBondContact O-NE2 2.96Å; K241-Q246 PolarHBondContact O-OE1 3.5Å
242	V	94.1	Very high	93.4	Very high	59 Å²	59	74.5 Å²	74.5	36%	0.358	39%	0.385	S	S	.	.			trans	-85	121.9	170.9	-176.5	0	0	0	0	108.5	L240 Q251 R254 K255	L240-V242 PolarHBondContact O-N 3.42Å; L240-V242 VanDerWaalsContact O-N 3.14Å; V242-Q251 HydrophobicContact CG1-CB 4.22Å; V242-Q251 HydrophobicContact CG1-CG 4.19Å; V242-R254 HydrophobicContact CG2-CB 3.7Å; V242-K255 HydrophobicContact CG1-CG 4.43Å; V242-K255 HydrophobicContact CG2-CG 4.24Å
243	S	91.5	Very high	93.1	Very high	41 Å²	41	74.7 Å²	74.7	29%	0.287	39%	0.386	S	S	.	.			trans	-126	141.3	178	176.6	0	0	0	0	110.4	N245 Q246 Q251	S243-N245 PolarHBondContact O-N 2.86Å; S243-N245 VanDerWaalsContact O-N 3.11Å; S243-N245 PolarHBondContact OG-N 3.43Å; S243-Q246 WeakPolarHBondContact O-CB 3.32Å; S243-Q246 PolarHBondContact O-N 3.14Å; S243-Q251 PolarHBondContact O-NE2 3.03Å
244	G	88.9	Confident	93	Very high	70 Å²	70	72.6 Å²	72.6	72%	0.722	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.7	178	0	0	0	0	0	114.1
245	N	89.8	Confident	92.8	Very high	161 Å²	161	72.3 Å²	72.3	86%	0.861	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.6	177.4	-61.5	-10.8	0	0	0	113.2	S243	S243-N245 PolarHBondContact O-N 2.86Å; S243-N245 VanDerWaalsContact O-N 3.11Å; S243-N245 PolarHBondContact OG-N 3.43Å
246	Q	89.1	Confident	92.6	Very high	51 Å²	51	73.3 Å²	73.3	24%	0.238	37%	0.369	C	S	.	.	S	Bend	trans	-77.4	149.9	177	-72.1	165.5	-20	0	0	110.3	K241 S243 L250 Q251	K241-Q246 PolarHBondContact O-NE2 2.96Å; K241-Q246 PolarHBondContact O-OE1 3.5Å; S243-Q246 WeakPolarHBondContact O-CB 3.32Å; S243-Q246 PolarHBondContact O-N 3.14Å; Q246-L250 HydrophobicContact CB-CB 4.42Å; Q246-Q251 HydrophobicContact CB-CG 3.87Å; Q246-Q251 PolarHBondContact O-NE2 2.98Å
247	H	92.2	Very high	92.4	Very high	129 Å²	129	72.8 Å²	72.8	60%	0.597	37%	0.367	S	S	*	.			trans	-57.2	146.3	169.2	-168.7	-100.6	0	0	0	110.8	E249 L250 Q251	H247-E249 VanDerWaalsContact C-N 3.26Å; H247-E249 WeakPolarHBondContact ND1-CB 3.43Å; H247-E249 PolarHBondContact ND1-N 2.98Å; H247-E249 PolarHBondContact O-N 3.49Å; H247-L250 HydrophobicContact CB-CD1 4.41Å; H247-L250 HydrophobicContact CB-CG 4.49Å; H247-L250 PolarHBondContact O-N 3.05Å; H247-L250 VanDerWaalsContact O-N 3.08Å; H247-Q251 PolarHBondContact O-N 3.02Å
248	E	91.2	Very high	92.3	Very high	131 Å²	131	69.8 Å²	69.8	61%	0.612	35%	0.353	S	S	*	.	H	α-helix	trans	-57.1	-40	-174.3	-164.2	-169.4	152	0	0	112.4	L250 Q251 N252	E248-L250 VanDerWaalsContact C-N 3.34Å; E248-L250 PolarHBondContact O-N 2.74Å; E248-Q251 WeakPolarHBondContact O-CB 3.13Å; E248-Q251 PolarHBondContact O-N 2.98Å; E248-Q251 VanDerWaalsContact O-N 3.13Å; E248-N252 WeakPolarHBondContact O-CB 3.39Å; E248-N252 PolarHBondContact O-N 2.76Å; E248-N252 PolarHBondContact O-ND2 3.22Å; E248-N252 PolarHBondContact OE1-ND2 3.4Å
249	E	85.8	Confident	92.2	Very high	103 Å²	103	66.1 Å²	66.1	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-54	-47.6	176	-172.1	-176.6	165.6	0	0	112.4	Q188 H247 Q251 N252 V253	Q188-E249 PolarHBondContact NE2-OE1 3.3Å; H247-E249 VanDerWaalsContact C-N 3.26Å; H247-E249 WeakPolarHBondContact ND1-CB 3.43Å; H247-E249 PolarHBondContact ND1-N 2.98Å; H247-E249 PolarHBondContact O-N 3.49Å; E249-Q251 VanDerWaalsContact C-N 3.32Å; E249-Q251 PolarHBondContact O-N 3.34Å; E249-N252 PolarHBondContact O-N 3.22Å; E249-V253 VanDerWaalsContact O-CG2 3.31Å; E249-V253 WeakPolarHBondContact O-CG2 3.48Å; E249-V253 PolarHBondContact O-N 3.27Å; E249-V253 VanDerWaalsContact O-N 3.16Å
250	L	89.1	Confident	92.1	Very high	54 Å²	54	62.8 Å²	62.8	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-66.7	-35.9	179.6	-63.4	176.6	0	0	0	112.1	E184 Q246 H247 E248 R254	E184-L250 HydrophobicContact CG-CD2 4.26Å; E184-L250 WeakPolarHBondContact OE2-CD2 3.28Å; Q246-L250 HydrophobicContact CB-CB 4.42Å; H247-L250 HydrophobicContact CB-CD1 4.41Å; H247-L250 HydrophobicContact CB-CG 4.49Å; H247-L250 PolarHBondContact O-N 3.05Å; H247-L250 VanDerWaalsContact O-N 3.08Å; E248-L250 VanDerWaalsContact C-N 3.34Å; E248-L250 PolarHBondContact O-N 2.74Å; L250-R254 WeakPolarHBondContact O-CD 3.41Å; L250-R254 WeakPolarHBondContact O-CG 3.19Å; L250-R254 PolarHBondContact O-N 3.3Å; L250-R254 PolarHBondContact O-NH1 2.91Å
251	Q	91.4	Very high	92.1	Very high	30 Å²	30	62.6 Å²	62.6	14%	0.14	33%	0.33	C	S	.	.	H	α-helix	trans	-67.7	-42.8	176	-62.6	-176.2	34.3	0	0	111	V242 S243 Q246 H247 E248 E249 R254 K255	V242-Q251 HydrophobicContact CG1-CB 4.22Å; V242-Q251 HydrophobicContact CG1-CG 4.19Å; S243-Q251 PolarHBondContact O-NE2 3.03Å; Q246-Q251 HydrophobicContact CB-CG 3.87Å; Q246-Q251 PolarHBondContact O-NE2 2.98Å; H247-Q251 PolarHBondContact O-N 3.02Å; E248-Q251 WeakPolarHBondContact O-CB 3.13Å; E248-Q251 PolarHBondContact O-N 2.98Å; E248-Q251 VanDerWaalsContact O-N 3.13Å; E249-Q251 VanDerWaalsContact C-N 3.32Å; E249-Q251 PolarHBondContact O-N 3.34Å; Q251-R254 PolarHBondContact O-N 3.13Å; Q251-K255 WeakPolarHBondContact O-CB 3.43Å; Q251-K255 VanDerWaalsContact O-CG 3.25Å; Q251-K255 WeakPolarHBondContact O-CG 3.36Å; Q251-K255 PolarHBondContact O-N 2.84Å
252	N	92.1	Very high	92.2	Very high	66 Å²	66	60.1 Å²	60.1	35%	0.353	33%	0.327	S	S	.	.	H	α-helix	trans	-65.6	-43	-175.9	-71.1	-13.5	0	0	0	111.3	E248 E249 R254 K255 H256	E248-N252 WeakPolarHBondContact O-CB 3.39Å; E248-N252 PolarHBondContact O-N 2.76Å; E248-N252 PolarHBondContact O-ND2 3.22Å; E248-N252 PolarHBondContact OE1-ND2 3.4Å; E249-N252 PolarHBondContact O-N 3.22Å; N252-R254 VanDerWaalsContact C-N 3.34Å; N252-R254 PolarHBondContact O-N 2.89Å; N252-K255 PolarHBondContact O-N 3.01Å; N252-H256 VanDerWaalsContact O-CB 3.25Å; N252-H256 WeakPolarHBondContact O-CB 3.38Å; N252-H256 PolarHBondContact O-N 2.76Å
253	V	93.2	Very high	92.3	Very high	3 Å²	3	61 Å²	61	2%	0.018	33%	0.329	C	S	.	.	H	α-helix	trans	-55.9	-48.5	173.9	176.8	0	0	0	0	110.9	L187 Q188 Q191 E249 H256 I257	L187-V253 HydrophobicContact CB-CG1 3.61Å; Q188-V253 HydrophobicContact CG-CG2 4.25Å; Q191-V253 VanDerWaalsContact OE1-CG2 3.25Å; E249-V253 VanDerWaalsContact O-CG2 3.31Å; E249-V253 WeakPolarHBondContact O-CG2 3.48Å; E249-V253 PolarHBondContact O-N 3.27Å; E249-V253 VanDerWaalsContact O-N 3.16Å; V253-H256 WeakPolarHBondContact O-CB 3.46Å; V253-H256 PolarHBondContact O-N 3.44Å; V253-I257 HydrophobicContact CG1-CD1 4.14Å; V253-I257 WeakPolarHBondContact O-CG1 3.31Å; V253-I257 PolarHBondContact O-N 3.49Å; V253-I257 VanDerWaalsContact O-N 3.1Å
254	R	94.9	Very high	92.5	Very high	10 Å²	10	60.6 Å²	60.6	4%	0.038	32%	0.324	C	S	.	.	H	α-helix	trans	-68.3	-45	-178.1	-70.3	165.7	173.5	69.2	3.9	112.6	E184 R239 L240 V242 L250 Q251 N252 H256 I257 H258	E184-R254 IonicContact OE1-CZ 2.67Å; E184-R254 IonicContact OE1-NH1 3.85Å; E184-R254 PolarHBondContact OE1-NH1 2.9Å; E184-R254 IonicContact OE1-NH2 2.64Å; E184-R254 PolarHBondContact OE1-NH2 3.15Å; E184-R254 IonicContact OE2-CZ 3.57Å; E184-R254 IonicContact OE2-NH1 2.92Å; E184-R254 PolarHBondContact OE2-NH1 3.49Å; E184-R254 VanDerWaalsContact OE2-NH1 3.1Å; E184-R254 IonicContact OE2-NH2 3.85Å; R239-R254 PolarHBondContact O-NE 3.17Å; R239-R254 PolarHBondContact O-NH2 3.33Å; L240-R254 HydrophobicContact CD2-CG 4.26Å; V242-R254 HydrophobicContact CG2-CB 3.7Å; L250-R254 WeakPolarHBondContact O-CD 3.41Å; L250-R254 WeakPolarHBondContact O-CG 3.19Å; L250-R254 PolarHBondContact O-N 3.3Å; L250-R254 PolarHBondContact O-NH1 2.91Å; Q251-R254 PolarHBondContact O-N 3.13Å; N252-R254 VanDerWaalsContact C-N 3.34Å; N252-R254 PolarHBondContact O-N 2.89Å; R254-H256 VanDerWaalsContact C-N 3.25Å; R254-H256 PolarHBondContact O-N 3.25Å; R254-I257 PolarHBondContact O-N 3.01Å; R254-H258 PolarHBondContact O-CD2 3.4Å; R254-H258 PolarHBondContact O-N 3.3Å
255	K	93.9	Very high	93	Very high	102 Å²	102	58.7 Å²	58.7	44%	0.443	30%	0.3	S	S	.	.	H	α-helix	trans	-58.2	-41.4	175.8	-74.4	171.7	-171.7	166	0	110.9	V242 Q251 N252 H258 S259	V242-K255 HydrophobicContact CG1-CG 4.43Å; V242-K255 HydrophobicContact CG2-CG 4.24Å; Q251-K255 WeakPolarHBondContact O-CB 3.43Å; Q251-K255 VanDerWaalsContact O-CG 3.25Å; Q251-K255 WeakPolarHBondContact O-CG 3.36Å; Q251-K255 PolarHBondContact O-N 2.84Å; N252-K255 PolarHBondContact O-N 3.01Å; K255-H258 PolarHBondContact O-N 2.9Å; K255-S259 PolarHBondContact O-N 2.86Å; K255-S259 PolarHBondContact O-OG 3.28Å
256	H	93.2	Very high	93.4	Very high	22 Å²	22	51.1 Å²	51.1	10%	0.102	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-47.2	177.5	-178.8	73.4	0	0	0	112.8	T194 E195 N252 V253 R254 H258 S259 C260	T194-H256 PolarHBondContact OG1-NE2 3.29Å; T194-H256 VanDerWaalsContact OG1-NE2 3.09Å; E195-H256 IonicContact OE2-CE1 3.93Å; E195-H256 PolarHBondContact OE2-CE1 2.85Å; E195-H256 IonicContact OE2-ND1 3.87Å; E195-H256 IonicContact OE2-NE2 3.39Å; N252-H256 VanDerWaalsContact O-CB 3.25Å; N252-H256 WeakPolarHBondContact O-CB 3.38Å; N252-H256 PolarHBondContact O-N 2.76Å; V253-H256 WeakPolarHBondContact O-CB 3.46Å; V253-H256 PolarHBondContact O-N 3.44Å; R254-H256 VanDerWaalsContact C-N 3.25Å; R254-H256 PolarHBondContact O-N 3.25Å; H256-H258 VanDerWaalsContact C-N 3.29Å; H256-H258 PolarHBondContact O-N 3.3Å; H256-S259 WeakPolarHBondContact CA-OG 3.46Å; H256-S259 PolarHBondContact O-N 3.29Å; H256-S259 VanDerWaalsContact O-N 3.14Å; H256-S259 PolarHBondContact O-OG 2.97Å; H256-C260 PolarHBondContact CE1-SG 3Å; H256-C260 PolarHBondContact NE2-SG 2.59Å; H256-C260 VanDerWaalsContact NE2-SG 3.36Å; H256-C260 PolarHBondContact O-N 3.47Å; H256-C260 PolarHBondContact O-SG 2.6Å
257	I	93.8	Very high	93.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-43.1	177.1	-65.2	165.2	0	0	0	110.3	L187 L190 L212 L240 V253 R254 S259 C260 F261 I264	L187-I257 HydrophobicContact CB-CD1 4.07Å; L187-I257 HydrophobicContact CD2-CD1 3.84Å; L187-I257 HydrophobicContact CG-CD1 4.44Å; L190-I257 HydrophobicContact CD2-CD1 3.97Å; L190-I257 HydrophobicContact CD2-CG1 4.07Å; L190-I257 HydrophobicContact CD2-CG2 4.23Å; L212-I257 HydrophobicContact CD2-CG2 4.35Å; L240-I257 HydrophobicContact CD2-CD1 4.33Å; V253-I257 HydrophobicContact CG1-CD1 4.14Å; V253-I257 WeakPolarHBondContact O-CG1 3.31Å; V253-I257 PolarHBondContact O-N 3.49Å; V253-I257 VanDerWaalsContact O-N 3.1Å; R254-I257 PolarHBondContact O-N 3.01Å; I257-S259 VanDerWaalsContact C-N 3.32Å; I257-S259 PolarHBondContact O-N 3.4Å; I257-C260 PolarHBondContact O-N 3.34Å; I257-F261 HydrophobicContact CG2-CD2 4.48Å; I257-F261 PolarHBondContact O-N 3.4Å; I257-I264 HydrophobicContact CG2-CD1 3.88Å
258	H	93.9	Very high	94.1	Very high	83 Å²	83	42.6 Å²	42.6	38%	0.384	22%	0.22	S	C	.	.	H	α-helix	trans	-65.2	-30.2	176.5	-79.2	-62	0	0	0	113.8	K207 R254 K255 H256	K207-H258 WeakPolarHBondContact CE-O 3.28Å; K207-H258 PolarHBondContact NZ-O 3.21Å; R254-H258 PolarHBondContact O-CD2 3.4Å; R254-H258 PolarHBondContact O-N 3.3Å; K255-H258 PolarHBondContact O-N 2.9Å; H256-H258 VanDerWaalsContact C-N 3.29Å; H256-H258 PolarHBondContact O-N 3.3Å
259	S	93.4	Very high	94.5	Very high	56 Å²	56	36.3 Å²	36.3	39%	0.392	19%	0.19	S	C	.	.	H	α-helix	trans	-79.1	-22.6	175.8	63.6	0	0	0	0	113	K207 K255 H256 I257	K207-S259 VanDerWaalsContact CG-O 3.32Å; K207-S259 WeakPolarHBondContact CG-O 3.5Å; K255-S259 PolarHBondContact O-N 2.86Å; K255-S259 PolarHBondContact O-OG 3.28Å; H256-S259 WeakPolarHBondContact CA-OG 3.46Å; H256-S259 PolarHBondContact O-N 3.29Å; H256-S259 VanDerWaalsContact O-N 3.14Å; H256-S259 PolarHBondContact O-OG 2.97Å; I257-S259 VanDerWaalsContact C-N 3.32Å; I257-S259 PolarHBondContact O-N 3.4Å
260	C	93	Very high	95	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	17%	0.169	C	C	.	.	H	α-helix	trans	-80.1	-38.1	-177.7	-72.5	0	0	0	0	114.2	P208 F209 H256 I257	P208-C260 VanDerWaalsContact CD-O 3.3Å; P208-C260 WeakPolarHBondContact CD-O 3.38Å; P208-C260 HydrophobicContact CG-CB 4.48Å; P208-C260 WeakPolarHBondContact CG-O 3.35Å; F209-C260 WeakPolarHBondContact CB-O 3.27Å; F209-C260 HydrophobicContact CD2-CB 3.98Å; F209-C260 HydrophobicContact CE2-CB 4.33Å; F209-C260 PolarHBondContact N-O 3.01Å; H256-C260 PolarHBondContact CE1-SG 3Å; H256-C260 PolarHBondContact NE2-SG 2.59Å; H256-C260 VanDerWaalsContact NE2-SG 3.36Å; H256-C260 PolarHBondContact O-N 3.47Å; H256-C260 PolarHBondContact O-SG 2.6Å; I257-C260 PolarHBondContact O-N 3.34Å
261	F	95.2	Very high	95.4	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.013	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.8	-171	-63.3	-85.1	0	0	0	113.1	T168 T194 K207 F209 L212 I257 I264	T168-F261 HydrophobicContact CG2-CE1 3.91Å; T168-F261 HydrophobicContact CG2-CZ 3.9Å; T194-F261 HydrophobicContact CG2-CE2 3.7Å; T194-F261 HydrophobicContact CG2-CZ 3.71Å; K207-F261 VanDerWaalsContact CD-C 3.47Å; K207-F261 WeakPolarHBondContact CD-O 3.01Å; K207-F261 PolarHBondContact NZ-O 2.6Å; F209-F261 HydrophobicContact CB-CD1 3.35Å; F209-F261 HydrophobicContact CB-CE1 3.4Å; F209-F261 HydrophobicContact CB-CG 4.18Å; F209-F261 HydrophobicContact CB-CZ 4.26Å; F209-F261 HydrophobicContact CD2-CD1 4.25Å; F209-F261 AromaticContact CD2-CE1 3.77Å; F209-F261 HydrophobicContact CD2-CE1 3.77Å; F209-F261 HydrophobicContact CD2-CE2 4.2Å; F209-F261 AromaticContact CD2-CZ 3.74Å; F209-F261 HydrophobicContact CD2-CZ 3.74Å; F209-F261 HydrophobicContact CG-CD1 4.22Å; F209-F261 AromaticContact CG-CE1 3.85Å; F209-F261 HydrophobicContact CG-CE1 3.85Å; F209-F261 HydrophobicContact CG-CZ 4.29Å; F209-F261 WeakPolarHBondContact O-CA 3.5Å; L212-F261 HydrophobicContact CB-CB 4.24Å; L212-F261 HydrophobicContact CB-CD1 3.52Å; L212-F261 HydrophobicContact CB-CD2 4.05Å; L212-F261 HydrophobicContact CB-CE1 3.78Å; L212-F261 HydrophobicContact CB-CE2 4.28Å; L212-F261 HydrophobicContact CB-CG 3.66Å; L212-F261 HydrophobicContact CB-CZ 4.15Å; L212-F261 HydrophobicContact CD1-CE1 4.35Å; L212-F261 HydrophobicContact CD1-CZ 4.2Å; L212-F261 HydrophobicContact CD2-CD2 3.77Å; L212-F261 HydrophobicContact CD2-CE2 3.64Å; L212-F261 HydrophobicContact CD2-CG 4.28Å; L212-F261 HydrophobicContact CD2-CZ 4.04Å; L212-F261 HydrophobicContact CG-CE1 4.43Å; L212-F261 HydrophobicContact CG-CE2 4.4Å; L212-F261 HydrophobicContact CG-CZ 4.36Å; I257-F261 HydrophobicContact CG2-CD2 4.48Å; I257-F261 PolarHBondContact O-N 3.4Å; F261-I264 HydrophobicContact CB-CD1 4.31Å; F261-I264 HydrophobicContact CB-CG1 3.78Å
262	T	95.5	Very high	95.6	Very high	88 Å²	88	31.1 Å²	31.1	54%	0.54	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	-44.2	174.4	61.3	0	0	0	0	111.6	K207 F209 Q210	K207-T262 HydrophobicContact CB-CG2 4.16Å; K207-T262 HydrophobicContact CD-CG2 4.48Å; F209-T262 PolarHBondContact O-N 3.3Å; Q210-T262 VanDerWaalsContact C-OG1 3.26Å; Q210-T262 VanDerWaalsContact CA-OG1 3.25Å; Q210-T262 WeakPolarHBondContact CA-OG1 3.38Å; Q210-T262 PolarHBondContact O-N 3.1Å; Q210-T262 PolarHBondContact O-OG1 3.08Å
263	N	96.4	Very high	95.7	Very high	76 Å²	76	28.7 Å²	28.7	41%	0.406	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134	179.2	-175.2	9	0	0	0	110	Q210 S211 L212 S265	Q210-N263 PolarHBondContact O-N 3.3Å; Q210-N263 VanDerWaalsContact O-N 3.07Å; S211-N263 WeakPolarHBondContact CA-O 3.15Å; L212-N263 PolarHBondContact N-O 3.5Å; N263-S265 PolarHBondContact OD1-OG 3.2Å
264	I	97.4	Very high	95.7	Very high	34 Å²	34	34.8 Å²	34.8	17%	0.174	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	119.6	175.6	-53.5	167.4	0	0	0	107.5	L212 F214 L236 L240 I257 F261	L212-I264 HydrophobicContact CD2-CG2 4.46Å; L212-I264 WeakPolarHBondContact O-CA 3.27Å; F214-I264 HydrophobicContact CD2-CG2 4Å; F214-I264 HydrophobicContact CE2-CG2 3.82Å; L236-I264 HydrophobicContact CD2-CG2 3.62Å; L240-I264 HydrophobicContact CD1-CG2 4.18Å; I257-I264 HydrophobicContact CG2-CD1 3.88Å; F261-I264 HydrophobicContact CB-CD1 4.31Å; F261-I264 HydrophobicContact CB-CG1 3.78Å
265	S	97.6	Very high	95.5	Very high	30 Å²	30	40.4 Å²	40.4	21%	0.21	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	167.4	-179.4	-68.4	0	0	0	0	110.9	L212 I213 F214 N263	L212-S265 PolarHBondContact O-N 3.41Å; I213-S265 WeakPolarHBondContact CA-O 3.32Å; F214-S265 PolarHBondContact N-O 3.4Å; N263-S265 PolarHBondContact OD1-OG 3.2Å
266	C	98.4	Very high	95.4	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.014	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.2	179.2	175.8	0	0	0	0	110.6	F214 G232 L236	F214-C266 HydrophobicContact CB-CB 4.04Å; F214-C266 CarbonylContact O-C 3.48Å; F214-C266 VanDerWaalsContact O-CA 3.24Å; F214-C266 WeakPolarHBondContact O-CA 3.44Å; F214-C266 PolarHBondContact O-SG 2.88Å; G232-C266 VanDerWaalsContact O-CB 3.28Å; G232-C266 WeakPolarHBondContact O-CB 3.26Å; G232-C266 PolarHBondContact O-SG 2.9Å; L236-C266 HydrophobicContact CB-CB 3.6Å; L236-C266 HydrophobicContact CD1-CB 4.47Å; L236-C266 HydrophobicContact CD2-CB 3.83Å; L236-C266 HydrophobicContact CG-CB 4.14Å
267	F	98.6	Very high	95.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.1	175	-165	-74.7	0	0	0	109.8	F214 L215 V216 A229 L269 N296 I299 L300 W303	F214-F267 PolarHBondContact O-N 2.83Å; L215-F267 HydrophobicContact CD1-CB 4.11Å; L215-F267 HydrophobicContact CD1-CD1 4.09Å; L215-F267 HydrophobicContact CD1-CG 4.46Å; V216-F267 PolarHBondContact N-O 3.02Å; A229-F267 HydrophobicContact CB-CD2 4.01Å; A229-F267 HydrophobicContact CB-CE2 4.45Å; F267-L269 HydrophobicContact CD1-CB 4.43Å; F267-L269 HydrophobicContact CD1-CD1 4.35Å; F267-L269 HydrophobicContact CE1-CD1 3.74Å; F267-N296 HydrophobicContact CE1-CB 4.4Å; F267-N296 WeakPolarHBondContact CZ-O 3.49Å; F267-I299 HydrophobicContact CE2-CG2 4.24Å; F267-I299 HydrophobicContact CZ-CB 4.49Å; F267-I299 HydrophobicContact CZ-CG2 4.49Å; F267-L300 HydrophobicContact CB-CD1 4.03Å; F267-L300 HydrophobicContact CD1-CB 4.42Å; F267-L300 HydrophobicContact CD1-CD1 3.89Å; F267-L300 HydrophobicContact CD1-CD2 4.49Å; F267-L300 HydrophobicContact CD1-CG 4.5Å; F267-L300 HydrophobicContact CD2-CB 4.44Å; F267-L300 HydrophobicContact CD2-CD1 3.69Å; F267-L300 HydrophobicContact CE1-CB 3.92Å; F267-L300 HydrophobicContact CE1-CD1 4.26Å; F267-L300 HydrophobicContact CE1-CG 4.47Å; F267-L300 HydrophobicContact CE2-CB 3.92Å; F267-L300 HydrophobicContact CE2-CD1 4.06Å; F267-L300 HydrophobicContact CG-CD1 3.6Å; F267-L300 HydrophobicContact CZ-CB 3.64Å; F267-L300 HydrophobicContact CZ-CD1 4.32Å; F267-W303 HydrophobicContact CB-CZ3 4.38Å; F267-W303 HydrophobicContact CD2-CE3 4.12Å; F267-W303 HydrophobicContact CD2-CZ3 4.42Å
268	L	98.6	Very high	95.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.5	178	-57.6	178.8	0	0	0	109.8	V216 W219 F225 G228 F235	V216-L268 HydrophobicContact CB-CD2 3.74Å; V216-L268 HydrophobicContact CG1-CD2 4.36Å; V216-L268 HydrophobicContact CG2-CD2 3.84Å; W219-L268 HydrophobicContact CB-CB 4.2Å; W219-L268 HydrophobicContact CD2-CD1 4.1Å; W219-L268 HydrophobicContact CD2-CD2 4.06Å; W219-L268 HydrophobicContact CD2-CG 4.44Å; W219-L268 HydrophobicContact CE3-CD2 4.11Å; W219-L268 HydrophobicContact CG-CB 3.99Å; W219-L268 HydrophobicContact CG-CD1 4.28Å; W219-L268 HydrophobicContact CG-CD2 4.34Å; W219-L268 HydrophobicContact CG-CG 4.42Å; W219-L268 HydrophobicContact CZ2-CD1 4.22Å; F225-L268 HydrophobicContact CB-CD1 3.72Å; G228-L268 PolarHBondContact N-O 3.2Å; G228-L268 PolarHBondContact O-N 3.15Å; F235-L268 HydrophobicContact CB-CD1 4.31Å; F235-L268 HydrophobicContact CD1-CD2 4.2Å; F235-L268 HydrophobicContact CG-CD2 4.46Å
269	L	97.9	Very high	95	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.247	C	C	.	.			trans	-108	133.2	-178.1	-160.7	69.4	0	0	0	109.9	L215 V216 D218 W219 F267 F293 N296 L300	L215-L269 HydrophobicContact CD1-CB 4.19Å; L215-L269 HydrophobicContact CD1-CD2 4.49Å; V216-L269 PolarHBondContact O-N 3.33Å; D218-L269 PolarHBondContact N-O 3.42Å; D218-L269 VanDerWaalsContact N-O 3.14Å; W219-L269 WeakPolarHBondContact CB-O 3.47Å; W219-L269 PolarHBondContact N-O 2.9Å; F267-L269 HydrophobicContact CD1-CB 4.43Å; F267-L269 HydrophobicContact CD1-CD1 4.35Å; F267-L269 HydrophobicContact CE1-CD1 3.74Å; L269-F293 HydrophobicContact CD1-CE2 4.46Å; L269-F293 HydrophobicContact CD2-CD2 4.17Å; L269-F293 HydrophobicContact CD2-CE2 3.33Å; L269-F293 HydrophobicContact CD2-CZ 3.73Å; L269-F293 HydrophobicContact CG-CD2 4.03Å; L269-F293 HydrophobicContact CG-CE2 3.69Å; L269-F293 HydrophobicContact CG-CZ 4.44Å; L269-N296 HydrophobicContact CD1-CB 3.84Å; L269-L300 HydrophobicContact CD1-CD2 4.21Å; L269-L300 HydrophobicContact CD2-CD2 4.23Å
270	P	97.8	Very high	94.8	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.026	27%	0.266	C	S	.	.			trans	-65.6	172.6	176.4	29.2	-36.9	0	0	0	111.7	Y227 E292 F293 N296	Y227-P270 HydrophobicContact CD1-CB 4.14Å; Y227-P270 HydrophobicContact CD2-CB 4.36Å; Y227-P270 HydrophobicContact CE1-CB 3.7Å; Y227-P270 HydrophobicContact CE2-CB 3.93Å; Y227-P270 HydrophobicContact CG-CB 4.47Å; P270-E292 HydrophobicContact CG-CG 4.45Å; P270-F293 HydrophobicContact CG-CB 4.1Å; P270-F293 HydrophobicContact CG-CD2 4.31Å; P270-F293 VanDerWaalsContact O-CD2 3.28Å; P270-F293 WeakPolarHBondContact O-CD2 3.37Å; P270-N296 HydrophobicContact CG-CB 4.37Å
271	H	96.6	Very high	94.8	Very high	64 Å²	64	52 Å²	52	30%	0.296	30%	0.299	S	S	.	.			trans	-71.1	135.7	171.5	-175.1	-88.8	0	0	0	110.3	D218 G273	D218-H271 HydrophobicContact CB-CB 4.3Å; D218-H271 VanDerWaalsContact CG-CD2 3.5Å; D218-H271 WeakPolarHBondContact OD1-CA 3.18Å; D218-H271 IonicContact OD1-CD2 3.73Å; D218-H271 PolarHBondContact OD1-CD2 3.46Å; D218-H271 IonicContact OD1-CG 3.8Å; D218-H271 IonicContact OD2-CD2 3.87Å; H271-G273 PolarHBondContact CE1-O 3.28Å; H271-G273 WeakPolarHBondContact ND1-CA 3.36Å; H271-G273 PolarHBondContact ND1-N 3.38Å; H271-G273 PolarHBondContact O-N 3.35Å; H271-G273 VanDerWaalsContact O-N 3.15Å
272	P	95.4	Very high	94.7	Very high	10 Å²	10	52.8 Å²	52.8	7%	0.065	30%	0.302	C	S	.	.			trans	-73.9	-2.7	-175.2	30.5	-36.9	0	0	0	114.8	D218 V276 I289 D290 F293	D218-P272 VanDerWaalsContact OD1-CD 3.24Å; D218-P272 WeakPolarHBondContact OD1-CD 3.5Å; P272-V276 HydrophobicContact CB-CB 4.07Å; P272-V276 HydrophobicContact CB-CG1 3.98Å; P272-V276 HydrophobicContact CB-CG2 4.11Å; P272-V276 HydrophobicContact CG-CB 4.09Å; P272-V276 HydrophobicContact CG-CG1 3.88Å; P272-V276 WeakPolarHBondContact O-CG2 3.41Å; P272-I289 HydrophobicContact CB-CG2 4.34Å; P272-D290 PolarHBondContact O-N 3.24Å; P272-F293 HydrophobicContact CB-CD1 4.21Å; P272-F293 HydrophobicContact CB-CD2 3.7Å; P272-F293 HydrophobicContact CB-CE1 4.29Å; P272-F293 HydrophobicContact CB-CE2 3.8Å; P272-F293 HydrophobicContact CB-CG 3.91Å; P272-F293 HydrophobicContact CB-CZ 4.11Å; P272-F293 HydrophobicContact CG-CE2 4.41Å
273	G	94.3	Very high	94.5	Very high	14 Å²	14	50.9 Å²	50.9	14%	0.144	29%	0.289	C	S	.	.			trans	105.2	151	-178.4	0	0	0	0	0	113	H271 K275 V276 A277	H271-G273 PolarHBondContact CE1-O 3.28Å; H271-G273 WeakPolarHBondContact ND1-CA 3.36Å; H271-G273 PolarHBondContact ND1-N 3.38Å; H271-G273 PolarHBondContact O-N 3.35Å; H271-G273 VanDerWaalsContact O-N 3.15Å; G273-K275 PolarHBondContact O-N 3.35Å; G273-V276 PolarHBondContact O-N 2.83Å; G273-A277 PolarHBondContact O-N 2.9Å
274	L	92.9	Very high	94.3	Very high	132 Å²	132	47.3 Å²	47.3	69%	0.691	27%	0.27	S	S	*	.	H	α-helix	trans	-64.4	-26.3	-174.6	-69.2	175.9	0	0	0	113.5	A277 T278	L274-A277 PolarHBondContact O-N 2.72Å; L274-T278 PolarHBondContact O-N 3.35Å; L274-T278 PolarHBondContact O-OG1 2.94Å
275	K	92.3	Very high	94.1	Very high	127 Å²	127	47.9 Å²	47.9	55%	0.552	27%	0.271	S	S	*	.	H	α-helix	trans	-62.9	-47.4	175.5	-68.4	-178.7	-177.2	175.3	0	110.9	G273 A277 N279	G273-K275 PolarHBondContact O-N 3.35Å; K275-A277 VanDerWaalsContact C-N 3.27Å; K275-A277 PolarHBondContact O-N 3.16Å; K275-N279 WeakPolarHBondContact O-CB 3.44Å; K275-N279 PolarHBondContact O-N 2.94Å
276	V	91.8	Very high	93.9	Very high	28 Å²	28	46.5 Å²	46.5	17%	0.17	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-39.3	177.2	-179.5	0	0	0	0	111.3	F82 P272 G273 F282 I289	F82-V276 HydrophobicContact CZ-CG1 4.29Å; P272-V276 HydrophobicContact CB-CB 4.07Å; P272-V276 HydrophobicContact CB-CG1 3.98Å; P272-V276 HydrophobicContact CB-CG2 4.11Å; P272-V276 HydrophobicContact CG-CB 4.09Å; P272-V276 HydrophobicContact CG-CG1 3.88Å; P272-V276 WeakPolarHBondContact O-CG2 3.41Å; G273-V276 PolarHBondContact O-N 2.83Å; V276-F282 HydrophobicContact CB-CE1 4.24Å; V276-F282 HydrophobicContact CB-CZ 4.23Å; V276-F282 HydrophobicContact CG1-CD1 4.21Å; V276-F282 HydrophobicContact CG1-CE1 3.67Å; V276-F282 HydrophobicContact CG1-CZ 3.95Å; V276-F282 HydrophobicContact CG2-CD2 4.4Å; V276-F282 HydrophobicContact CG2-CE1 4.22Å; V276-F282 HydrophobicContact CG2-CE2 3.82Å; V276-F282 HydrophobicContact CG2-CZ 3.7Å; V276-I289 HydrophobicContact CG2-CB 4.33Å; V276-I289 HydrophobicContact CG2-CG1 3.84Å; V276-I289 HydrophobicContact CG2-CG2 4.49Å
277	A	90.3	Very high	93.7	Very high	64 Å²	64	51.4 Å²	51.4	53%	0.529	28%	0.282	S	S	.	.	H	α-helix	trans	-78.6	-33.3	-175.4	0	0	0	0	0	114.3	G273 L274 K275	G273-A277 PolarHBondContact O-N 2.9Å; L274-A277 PolarHBondContact O-N 2.72Å; K275-A277 VanDerWaalsContact C-N 3.27Å; K275-A277 PolarHBondContact O-N 3.16Å
278	T	90.8	Very high	93.5	Very high	105 Å²	105	53.8 Å²	53.8	64%	0.644	29%	0.293	S	S	*	.	H	α-helix	trans	-122.8	-18.7	-166.7	65	0	0	0	0	115.1	L274 P280	L274-T278 PolarHBondContact O-N 3.35Å; L274-T278 PolarHBondContact O-OG1 2.94Å; T278-P280 WeakPolarHBondContact O-CD 3.45Å
279	N	91.3	Very high	93.4	Very high	59 Å²	59	54.2 Å²	54.2	32%	0.316	30%	0.295	S	S	.	.			trans	-80.1	116.8	-178.3	-175	1.3	0	0	0	110.5	K275 N281 F282	K275-N279 WeakPolarHBondContact O-CB 3.44Å; K275-N279 PolarHBondContact O-N 2.94Å; N279-N281 PolarHBondContact O-N 3.43Å; N279-N281 PolarHBondContact OD1-N 3.12Å; N279-F282 HydrophobicContact CB-CB 4.25Å; N279-F282 WeakPolarHBondContact O-CB 3.26Å; N279-F282 PolarHBondContact O-N 3.4Å
280	P	89.7	Confident	93.3	Very high	120 Å²	120	58 Å²	58	78%	0.779	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.3	178.9	28.8	-36.2	0	0	0	113.4	T278	T278-P280 WeakPolarHBondContact O-CD 3.45Å
281	N	92.2	Very high	93.3	Very high	133 Å²	133	62.5 Å²	62.5	71%	0.711	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	3.2	-179.3	-56.9	-37.6	0	0	0	113	N279 D283	N279-N281 PolarHBondContact O-N 3.43Å; N279-N281 PolarHBondContact OD1-N 3.12Å; N281-D283 PolarHBondContact O-N 3.47Å
282	F	92.1	Very high	93.3	Very high	19 Å²	19	62.9 Å²	62.9	8%	0.083	34%	0.342	C	S	.	.			trans	-67.9	125.9	177.8	173.7	-104.9	0	0	0	110.3	F82 W112 V276 N279 E288 I289	F82-F282 HydrophobicContact CD2-CE1 4.5Å; F82-F282 AromaticContact CE2-CE1 3.77Å; F82-F282 HydrophobicContact CE2-CE1 3.77Å; F82-F282 AromaticContact CE2-CZ 3.96Å; F82-F282 HydrophobicContact CE2-CZ 3.96Å; F82-F282 HydrophobicContact CZ-CE1 4.46Å; F82-F282 HydrophobicContact CZ-CZ 4.37Å; W112-F282 AromaticContact CH2-CD1 3.69Å; W112-F282 HydrophobicContact CH2-CD1 3.69Å; W112-F282 AromaticContact CH2-CE1 3.58Å; W112-F282 HydrophobicContact CH2-CE1 3.58Å; W112-F282 AromaticContact CZ3-CD1 3.8Å; W112-F282 HydrophobicContact CZ3-CD1 3.8Å; W112-F282 AromaticContact CZ3-CE1 3.82Å; W112-F282 HydrophobicContact CZ3-CE1 3.82Å; V276-F282 HydrophobicContact CB-CE1 4.24Å; V276-F282 HydrophobicContact CB-CZ 4.23Å; V276-F282 HydrophobicContact CG1-CD1 4.21Å; V276-F282 HydrophobicContact CG1-CE1 3.67Å; V276-F282 HydrophobicContact CG1-CZ 3.95Å; V276-F282 HydrophobicContact CG2-CD2 4.4Å; V276-F282 HydrophobicContact CG2-CE1 4.22Å; V276-F282 HydrophobicContact CG2-CE2 3.82Å; V276-F282 HydrophobicContact CG2-CZ 3.7Å; N279-F282 HydrophobicContact CB-CB 4.25Å; N279-F282 WeakPolarHBondContact O-CB 3.26Å; N279-F282 PolarHBondContact O-N 3.4Å; F282-E288 HydrophobicContact CD2-CB 4.07Å; F282-E288 HydrophobicContact CE2-CB 4.02Å; F282-I289 HydrophobicContact CE2-CG1 4.03Å; F282-I289 HydrophobicContact CZ-CD1 4.16Å; F282-I289 HydrophobicContact CZ-CG1 3.93Å
283	D	91.8	Very high	93.4	Very high	48 Å²	48	62.4 Å²	62.4	26%	0.257	34%	0.339	S	S	.	.			trans	-119.1	16.7	-174.7	64.7	-9	0	0	0	113.1	P106 L107 N281 K285	P106-D283 WeakPolarHBondContact CA-O 3.34Å; P106-D283 HydrophobicContact CB-CB 4.44Å; L107-D283 PolarHBondContact N-O 2.89Å; N281-D283 PolarHBondContact O-N 3.47Å; D283-K285 VanDerWaalsContact OD1-CD 3.28Å; D283-K285 WeakPolarHBondContact OD1-CD 3.4Å; D283-K285 WeakPolarHBondContact OD1-CG 3.42Å; D283-K285 IonicContact OD1-NZ 2.77Å; D283-K285 WeakPolarHBondContact OD2-CE 3.31Å; D283-K285 IonicContact OD2-NZ 3.64Å; D283-K285 PolarHBondContact OD2-NZ 3.49Å
284	G	92	Very high	93.5	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.333	C	S	.	.			trans	92.8	1.4	172.7	0	0	0	0	0	115.3	L286	G284-L286 PolarHBondContact O-N 3.31Å
285	K	93.8	Very high	93.7	Very high	46 Å²	46	61.3 Å²	61.3	20%	0.2	32%	0.324	C	S	.	.			trans	-60.8	130	178.9	-73.3	172.6	-179	133.8	0	112.3	N104 D283 K287 E288	N104-K285 WeakPolarHBondContact O-CD 3.38Å; N104-K285 WeakPolarHBondContact O-CE 3.29Å; N104-K285 WeakPolarHBondContact O-CG 3.45Å; D283-K285 VanDerWaalsContact OD1-CD 3.28Å; D283-K285 WeakPolarHBondContact OD1-CD 3.4Å; D283-K285 WeakPolarHBondContact OD1-CG 3.42Å; D283-K285 IonicContact OD1-NZ 2.77Å; D283-K285 WeakPolarHBondContact OD2-CE 3.31Å; D283-K285 IonicContact OD2-NZ 3.64Å; D283-K285 PolarHBondContact OD2-NZ 3.49Å; K285-K287 VanDerWaalsContact C-N 3.27Å; K285-K287 HydrophobicContact CB-CG 4.32Å; K285-K287 PolarHBondContact O-N 3.04Å; K285-E288 PolarHBondContact O-N 3.33Å; K285-E288 VanDerWaalsContact O-N 3.1Å
286	L	94.2	Very high	94	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-60.2	-33.8	-176.4	-59.8	173.9	0	0	0	113.3	F86 V100 G101 Y103 G284 E288 I289 I294	F86-L286 HydrophobicContact CE1-CD2 3.6Å; F86-L286 HydrophobicContact CZ-CD2 3.84Å; V100-L286 HydrophobicContact CB-CD1 4.37Å; V100-L286 HydrophobicContact CG1-CD1 3.8Å; V100-L286 HydrophobicContact CG2-CD1 3.9Å; V100-L286 HydrophobicContact CG2-CD2 4.04Å; G101-L286 WeakPolarHBondContact O-CD1 3.49Å; Y103-L286 HydrophobicContact CD1-CB 3.95Å; Y103-L286 HydrophobicContact CD2-CB 4.4Å; Y103-L286 HydrophobicContact CD2-CD1 4.05Å; Y103-L286 HydrophobicContact CE1-CB 4.29Å; Y103-L286 HydrophobicContact CE2-CD1 4.2Å; Y103-L286 HydrophobicContact CG-CB 4.02Å; Y103-L286 HydrophobicContact CG-CD1 4.45Å; Y103-L286 PolarHBondContact O-N 2.89Å; G284-L286 PolarHBondContact O-N 3.31Å; L286-E288 PolarHBondContact O-N 3.43Å; L286-I289 HydrophobicContact CD2-CD1 4.04Å; L286-I289 WeakPolarHBondContact O-CB 3.38Å; L286-I289 PolarHBondContact O-N 3.03Å; L286-I294 HydrophobicContact CB-CD1 4.16Å; L286-I294 WeakPolarHBondContact O-CD1 3.32Å
287	K	94.2	Very high	94.2	Very high	106 Å²	106	54.5 Å²	54.5	46%	0.461	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-60.4	-15.9	178.8	74.2	-174.1	178.6	-176.2	0	114.6	Y103 N104 K285	Y103-K287 HydrophobicContact CD1-CB 4.39Å; Y103-K287 PolarHBondContact O-N 3.24Å; N104-K287 VanDerWaalsContact OD1-CD 3.25Å; N104-K287 WeakPolarHBondContact OD1-CD 3.42Å; N104-K287 WeakPolarHBondContact OD1-CE 3.27Å; N104-K287 PolarHBondContact OD1-NZ 3.17Å; K285-K287 VanDerWaalsContact C-N 3.27Å; K285-K287 HydrophobicContact CB-CG 4.32Å; K285-K287 PolarHBondContact O-N 3.04Å
288	E	93.9	Very high	94.5	Very high	49 Å²	49	54.8 Å²	54.8	23%	0.229	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-102.8	-1.3	-179.9	-55.3	-170.8	-173.3	0	0	112.8	F282 K285 L286	F282-E288 HydrophobicContact CD2-CB 4.07Å; F282-E288 HydrophobicContact CE2-CB 4.02Å; K285-E288 PolarHBondContact O-N 3.33Å; K285-E288 VanDerWaalsContact O-N 3.1Å; L286-E288 PolarHBondContact O-N 3.43Å
289	I	95.9	Very high	94.8	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.046	28%	0.275	C	S	.	.	S	Bend	trans	-99.2	144.9	178.8	-54	177.6	0	0	0	108.7	F82 F86 P272 V276 F282 L286 D291 F293 I294	F82-I289 HydrophobicContact CZ-CD1 3.97Å; F86-I289 HydrophobicContact CZ-CD1 3.98Å; P272-I289 HydrophobicContact CB-CG2 4.34Å; V276-I289 HydrophobicContact CG2-CB 4.33Å; V276-I289 HydrophobicContact CG2-CG1 3.84Å; V276-I289 HydrophobicContact CG2-CG2 4.49Å; F282-I289 HydrophobicContact CE2-CG1 4.03Å; F282-I289 HydrophobicContact CZ-CD1 4.16Å; F282-I289 HydrophobicContact CZ-CG1 3.93Å; L286-I289 HydrophobicContact CD2-CD1 4.04Å; L286-I289 WeakPolarHBondContact O-CB 3.38Å; L286-I289 PolarHBondContact O-N 3.03Å; I289-D291 PolarHBondContact O-N 2.9Å; I289-F293 HydrophobicContact CG2-CB 4.15Å; I289-F293 HydrophobicContact CG2-CD1 3.49Å; I289-F293 VanDerWaalsContact CG2-CD1 3.49Å; I289-F293 HydrophobicContact CG2-CE1 4.23Å; I289-F293 HydrophobicContact CG2-CG 4.09Å; I289-I294 HydrophobicContact CB-CD1 4.17Å; I289-I294 HydrophobicContact CB-CG1 4.17Å; I289-I294 HydrophobicContact CG2-CD1 4.45Å; I289-I294 HydrophobicContact CG2-CG1 3.93Å
290	D	96.9	Very high	95.1	Very high	80 Å²	80	51.6 Å²	51.6	43%	0.428	26%	0.26	S	S	.	.			trans	-60.1	132.9	176	-163.2	-26.2	0	0	0	111.7	P272 E292 F293 I294	P272-D290 PolarHBondContact O-N 3.24Å; D290-E292 PolarHBondContact O-N 2.94Å; D290-E292 PolarHBondContact OD1-N 3.4Å; D290-F293 HydrophobicContact CB-CB 4.3Å; D290-F293 WeakPolarHBondContact O-CA 3.36Å; D290-F293 VanDerWaalsContact O-CB 3.29Å; D290-F293 WeakPolarHBondContact O-CB 3.47Å; D290-F293 PolarHBondContact O-N 3.04Å; D290-I294 PolarHBondContact O-N 2.83Å
291	D	96.9	Very high	95.5	Very high	99 Å²	99	45.9 Å²	45.9	53%	0.529	22%	0.223	S	C	.	.	H	α-helix	trans	-60.3	-35.7	-177.7	-72.8	-31.3	0	0	0	112	I289 F293 I294 K295	I289-D291 PolarHBondContact O-N 2.9Å; D291-F293 VanDerWaalsContact C-N 3.28Å; D291-F293 PolarHBondContact O-N 3.5Å; D291-I294 PolarHBondContact O-N 3.3Å; D291-K295 VanDerWaalsContact O-CG 3.32Å; D291-K295 WeakPolarHBondContact O-CG 3.48Å; D291-K295 PolarHBondContact O-N 3.47Å
292	E	96.8	Very high	95.7	Very high	71 Å²	71	41 Å²	41	33%	0.332	20%	0.199	S	C	.	.	H	α-helix	trans	-66.9	-33.7	178.1	-166.6	58.7	-149.5	0	0	111.5	Y227 P270 D290 K295 N296	Y227-E292 HydrophobicContact CD2-CG 4.25Å; Y227-E292 HydrophobicContact CE2-CG 4.15Å; P270-E292 HydrophobicContact CG-CG 4.45Å; D290-E292 PolarHBondContact O-N 2.94Å; D290-E292 PolarHBondContact OD1-N 3.4Å; E292-K295 IonicContact OE2-NZ 3.91Å; E292-K295 PolarHBondContact OE2-NZ 3.35Å; E292-N296 PolarHBondContact O-N 3.36Å; E292-N296 PolarHBondContact O-ND2 2.93Å; E292-N296 PolarHBondContact OE1-ND2 3.18Å
293	F	97.1	Very high	95.9	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-65.8	-47.3	171.3	-177.6	-86.1	0	0	0	111.5	F82 L269 P270 P272 I289 D290 D291 K295 N296 L297	F82-F293 HydrophobicContact CE1-CE1 4.1Å; F82-F293 HydrophobicContact CE1-CZ 4.05Å; L269-F293 HydrophobicContact CD1-CE2 4.46Å; L269-F293 HydrophobicContact CD2-CD2 4.17Å; L269-F293 HydrophobicContact CD2-CE2 3.33Å; L269-F293 HydrophobicContact CD2-CZ 3.73Å; L269-F293 HydrophobicContact CG-CD2 4.03Å; L269-F293 HydrophobicContact CG-CE2 3.69Å; L269-F293 HydrophobicContact CG-CZ 4.44Å; P270-F293 HydrophobicContact CG-CB 4.1Å; P270-F293 HydrophobicContact CG-CD2 4.31Å; P270-F293 VanDerWaalsContact O-CD2 3.28Å; P270-F293 WeakPolarHBondContact O-CD2 3.37Å; P272-F293 HydrophobicContact CB-CD1 4.21Å; P272-F293 HydrophobicContact CB-CD2 3.7Å; P272-F293 HydrophobicContact CB-CE1 4.29Å; P272-F293 HydrophobicContact CB-CE2 3.8Å; P272-F293 HydrophobicContact CB-CG 3.91Å; P272-F293 HydrophobicContact CB-CZ 4.11Å; P272-F293 HydrophobicContact CG-CE2 4.41Å; I289-F293 HydrophobicContact CG2-CB 4.15Å; I289-F293 HydrophobicContact CG2-CD1 3.49Å; I289-F293 VanDerWaalsContact CG2-CD1 3.49Å; I289-F293 HydrophobicContact CG2-CE1 4.23Å; I289-F293 HydrophobicContact CG2-CG 4.09Å; D290-F293 HydrophobicContact CB-CB 4.3Å; D290-F293 WeakPolarHBondContact O-CA 3.36Å; D290-F293 VanDerWaalsContact O-CB 3.29Å; D290-F293 WeakPolarHBondContact O-CB 3.47Å; D290-F293 PolarHBondContact O-N 3.04Å; D291-F293 VanDerWaalsContact C-N 3.28Å; D291-F293 PolarHBondContact O-N 3.5Å; F293-K295 VanDerWaalsContact C-N 3.31Å; F293-K295 PolarHBondContact O-N 3.01Å; F293-N296 PolarHBondContact O-N 2.9Å; F293-L297 HydrophobicContact CD1-CB 4.47Å; F293-L297 HydrophobicContact CE1-CB 4.38Å; F293-L297 HydrophobicContact CE1-CD1 4.46Å; F293-L297 HydrophobicContact CE1-CD2 4.05Å; F293-L297 VanDerWaalsContact O-CB 3.22Å; F293-L297 WeakPolarHBondContact O-CB 3.41Å; F293-L297 PolarHBondContact O-N 3.21Å
294	I	96.6	Very high	96.1	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-60.1	-42.4	179.1	-61.3	169.1	0	0	0	110.8	Y103 L286 I289 D290 D291 L297 K298	Y103-I294 HydrophobicContact CE1-CD1 4.42Å; L286-I294 HydrophobicContact CB-CD1 4.16Å; L286-I294 WeakPolarHBondContact O-CD1 3.32Å; I289-I294 HydrophobicContact CB-CD1 4.17Å; I289-I294 HydrophobicContact CB-CG1 4.17Å; I289-I294 HydrophobicContact CG2-CD1 4.45Å; I289-I294 HydrophobicContact CG2-CG1 3.93Å; D290-I294 PolarHBondContact O-N 2.83Å; D291-I294 PolarHBondContact O-N 3.3Å; I294-L297 PolarHBondContact O-N 3.38Å; I294-K298 HydrophobicContact CG2-CD 4.38Å; I294-K298 HydrophobicContact CG2-CG 4.49Å; I294-K298 WeakPolarHBondContact O-CB 3.4Å; I294-K298 WeakPolarHBondContact O-CG 3.48Å; I294-K298 PolarHBondContact O-N 3.31Å
295	K	97.2	Very high	96.4	Very high	119 Å²	119	41.7 Å²	41.7	52%	0.517	20%	0.198	S	C	.	.	H	α-helix	trans	-59.1	-49.5	176.6	-72.3	173.2	-163	165.1	0	112.2	D291 E292 F293 L297 K298 I299	D291-K295 VanDerWaalsContact O-CG 3.32Å; D291-K295 WeakPolarHBondContact O-CG 3.48Å; D291-K295 PolarHBondContact O-N 3.47Å; E292-K295 IonicContact OE2-NZ 3.91Å; E292-K295 PolarHBondContact OE2-NZ 3.35Å; F293-K295 VanDerWaalsContact C-N 3.31Å; F293-K295 PolarHBondContact O-N 3.01Å; K295-L297 VanDerWaalsContact C-N 3.34Å; K295-K298 PolarHBondContact O-N 2.67Å; K295-I299 PolarHBondContact O-N 3.13Å
296	N	97.8	Very high	96.4	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.053	20%	0.196	C	C	.	.	H	α-helix	trans	-70.6	-32.3	-179.9	-74.8	-79.6	0	0	0	111.9	Y227 F267 L269 P270 E292 F293 I299 L300	Y227-N296 VanDerWaalsContact CB-OD1 3.28Å; Y227-N296 WeakPolarHBondContact CB-OD1 3.32Å; F267-N296 HydrophobicContact CE1-CB 4.4Å; F267-N296 WeakPolarHBondContact CZ-O 3.49Å; L269-N296 HydrophobicContact CD1-CB 3.84Å; P270-N296 HydrophobicContact CG-CB 4.37Å; E292-N296 PolarHBondContact O-N 3.36Å; E292-N296 PolarHBondContact O-ND2 2.93Å; E292-N296 PolarHBondContact OE1-ND2 3.18Å; F293-N296 PolarHBondContact O-N 2.9Å; N296-I299 PolarHBondContact O-N 2.86Å; N296-L300 WeakPolarHBondContact O-CB 3.37Å; N296-L300 PolarHBondContact O-N 2.89Å
297	L	96.8	Very high	96.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-41.6	172.4	-175.6	70.5	0	0	0	111.6	L83 F86 F293 I294 K295 I299 L300 I301	L83-L297 HydrophobicContact CD1-CD1 3.96Å; F86-L297 HydrophobicContact CB-CD1 4.38Å; F86-L297 HydrophobicContact CB-CD2 4.23Å; F86-L297 HydrophobicContact CD1-CD2 3.83Å; F86-L297 HydrophobicContact CD2-CD2 3.76Å; F86-L297 HydrophobicContact CE1-CD2 4.11Å; F86-L297 HydrophobicContact CE2-CD2 4.02Å; F86-L297 HydrophobicContact CG-CD2 3.66Å; F86-L297 HydrophobicContact CZ-CD2 4.19Å; F293-L297 HydrophobicContact CD1-CB 4.47Å; F293-L297 HydrophobicContact CE1-CB 4.38Å; F293-L297 HydrophobicContact CE1-CD1 4.46Å; F293-L297 HydrophobicContact CE1-CD2 4.05Å; F293-L297 VanDerWaalsContact O-CB 3.22Å; F293-L297 WeakPolarHBondContact O-CB 3.41Å; F293-L297 PolarHBondContact O-N 3.21Å; I294-L297 PolarHBondContact O-N 3.38Å; K295-L297 VanDerWaalsContact C-N 3.34Å; L297-I299 PolarHBondContact O-N 2.79Å; L297-L300 PolarHBondContact O-N 2.93Å; L297-I301 HydrophobicContact CD1-CD1 3.98Å; L297-I301 HydrophobicContact CD1-CG1 3.89Å; L297-I301 HydrophobicContact CG-CG1 4.24Å; L297-I301 PolarHBondContact O-N 2.64Å; L297-I301 VanDerWaalsContact O-N 3.11Å
298	K	96.8	Very high	96.5	Very high	71 Å²	71	44.9 Å²	44.9	31%	0.309	22%	0.221	S	C	.	.	H	α-helix	trans	-61.1	-22	175.2	-77.4	-178.7	177.7	-167.2	0	113.3	W99 I294 K295 P302	W99-K298 HydrophobicContact CZ2-CG 4.43Å; I294-K298 HydrophobicContact CG2-CD 4.38Å; I294-K298 HydrophobicContact CG2-CG 4.49Å; I294-K298 WeakPolarHBondContact O-CB 3.4Å; I294-K298 WeakPolarHBondContact O-CG 3.48Å; I294-K298 PolarHBondContact O-N 3.31Å; K295-K298 PolarHBondContact O-N 2.67Å; K298-P302 WeakPolarHBondContact O-CD 3.44Å; K298-P302 VanDerWaalsContact O-CG 3.3Å; K298-P302 WeakPolarHBondContact O-CG 3.45Å
299	I	97.6	Very high	96.5	Very high	97 Å²	97	44.5 Å²	44.5	50%	0.497	22%	0.223	S	C	.	.	H	α-helix	trans	-90.8	-44.4	174.7	-59.4	167.7	0	0	0	110.5	F267 K295 N296 L297 W303	F267-I299 HydrophobicContact CE2-CG2 4.24Å; F267-I299 HydrophobicContact CZ-CB 4.49Å; F267-I299 HydrophobicContact CZ-CG2 4.49Å; K295-I299 PolarHBondContact O-N 3.13Å; N296-I299 PolarHBondContact O-N 2.86Å; L297-I299 PolarHBondContact O-N 2.79Å; I299-W303 WeakPolarHBondContact O-CB 3.28Å; I299-W303 PolarHBondContact O-N 2.92Å; I299-W303 VanDerWaalsContact O-N 3.08Å
300	L	97.6	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57.5	-52.1	-177.1	174.7	61	0	0	0	112.4	L83 L215 F267 L269 N296 L297 W303 L304	L83-L300 HydrophobicContact CD1-CD2 3.86Å; L215-L300 HydrophobicContact CD1-CD1 4.13Å; L215-L300 HydrophobicContact CD1-CD2 3.75Å; L215-L300 HydrophobicContact CD2-CD2 4.21Å; F267-L300 HydrophobicContact CB-CD1 4.03Å; F267-L300 HydrophobicContact CD1-CB 4.42Å; F267-L300 HydrophobicContact CD1-CD1 3.89Å; F267-L300 HydrophobicContact CD1-CD2 4.49Å; F267-L300 HydrophobicContact CD1-CG 4.5Å; F267-L300 HydrophobicContact CD2-CB 4.44Å; F267-L300 HydrophobicContact CD2-CD1 3.69Å; F267-L300 HydrophobicContact CE1-CB 3.92Å; F267-L300 HydrophobicContact CE1-CD1 4.26Å; F267-L300 HydrophobicContact CE1-CG 4.47Å; F267-L300 HydrophobicContact CE2-CB 3.92Å; F267-L300 HydrophobicContact CE2-CD1 4.06Å; F267-L300 HydrophobicContact CG-CD1 3.6Å; F267-L300 HydrophobicContact CZ-CB 3.64Å; F267-L300 HydrophobicContact CZ-CD1 4.32Å; L269-L300 HydrophobicContact CD1-CD2 4.21Å; L269-L300 HydrophobicContact CD2-CD2 4.23Å; N296-L300 WeakPolarHBondContact O-CB 3.37Å; N296-L300 PolarHBondContact O-N 2.89Å; L297-L300 PolarHBondContact O-N 2.93Å; L300-W303 HydrophobicContact CD1-CE3 4.17Å; L300-W303 HydrophobicContact CD1-CZ3 4.49Å; L300-W303 WeakPolarHBondContact O-CB 3.42Å; L300-W303 PolarHBondContact O-N 3.41Å; L300-L304 HydrophobicContact CD1-CD1 3.73Å; L300-L304 HydrophobicContact CD1-CG 4.07Å; L300-L304 HydrophobicContact CG-CD1 4.03Å; L300-L304 WeakPolarHBondContact O-CG 3.41Å; L300-L304 PolarHBondContact O-N 2.83Å
301	I	97.3	Very high	96.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.9	-46.7	-170.6	-54.4	-59.3	0	0	0	111.9	L83 F86 M87 Y90 W99 L297 W303 L304 L305	L83-I301 HydrophobicContact CD1-CD1 3.85Å; F86-I301 HydrophobicContact CB-CG1 4.49Å; M87-I301 HydrophobicContact CE-CD1 4.49Å; M87-I301 HydrophobicContact CG-CD1 3.76Å; M87-I301 HydrophobicContact CG-CG2 4.34Å; Y90-I301 VanDerWaalsContact CB-CG2 3.41Å; Y90-I301 HydrophobicContact CD1-CG2 3.95Å; Y90-I301 HydrophobicContact CD2-CG2 4.4Å; Y90-I301 HydrophobicContact CG-CG2 3.67Å; W99-I301 HydrophobicContact CH2-CB 3.49Å; W99-I301 VanDerWaalsContact CH2-CB 3.49Å; W99-I301 HydrophobicContact CH2-CG1 3.61Å; W99-I301 HydrophobicContact CH2-CG2 3.98Å; W99-I301 HydrophobicContact CZ2-CB 3.98Å; W99-I301 HydrophobicContact CZ2-CG1 4.49Å; W99-I301 HydrophobicContact CZ3-CB 4.19Å; W99-I301 HydrophobicContact CZ3-CG1 4.25Å; W99-I301 HydrophobicContact CZ3-CG2 4.22Å; L297-I301 HydrophobicContact CD1-CD1 3.98Å; L297-I301 HydrophobicContact CD1-CG1 3.89Å; L297-I301 HydrophobicContact CG-CG1 4.24Å; L297-I301 PolarHBondContact O-N 2.64Å; L297-I301 VanDerWaalsContact O-N 3.11Å; I301-W303 VanDerWaalsContact C-N 3.32Å; I301-W303 PolarHBondContact O-N 3.21Å; I301-L304 PolarHBondContact O-N 2.92Å; I301-L305 HydrophobicContact CG2-CD1 3.97Å; I301-L305 WeakPolarHBondContact O-CB 3.33Å; I301-L305 PolarHBondContact O-N 2.84Å
302	P	96.7	Very high	96.3	Very high	31 Å²	31	39 Å²	39	20%	0.201	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-34.5	173.1	-23.3	36.2	0	0	0	112.9	Y90 W99 K298 L304 L305 S306	Y90-P302 HydrophobicContact CD2-CG 4.33Å; Y90-P302 HydrophobicContact CE2-CB 4.2Å; Y90-P302 HydrophobicContact CE2-CG 3.84Å; W99-P302 HydrophobicContact CZ2-CG 4.02Å; K298-P302 WeakPolarHBondContact O-CD 3.44Å; K298-P302 VanDerWaalsContact O-CG 3.3Å; K298-P302 WeakPolarHBondContact O-CG 3.45Å; P302-L304 PolarHBondContact O-N 3.29Å; P302-L305 PolarHBondContact O-N 3.43Å; P302-S306 WeakPolarHBondContact O-CA 3.34Å; P302-S306 WeakPolarHBondContact O-CB 3.47Å; P302-S306 PolarHBondContact O-N 3.04Å; P302-S306 PolarHBondContact O-OG 3.45Å; P302-S306 VanDerWaalsContact O-OG 3.06Å
303	W	96.9	Very high	96.4	Very high	78 Å²	78	35.6 Å²	35.6	30%	0.295	18%	0.178	S	C	.	.	H	α-helix	trans	-59.6	-35.1	174.8	177.3	75.6	0	0	0	112	I213 A229 F267 I299 L300 I301 S309	I213-W303 HydrophobicContact CD1-CH2 3.88Å; I213-W303 HydrophobicContact CD1-CZ3 3.83Å; I213-W303 HydrophobicContact CG1-CH2 4.18Å; I213-W303 HydrophobicContact CG1-CZ3 4.43Å; I213-W303 HydrophobicContact CG2-CH2 3.86Å; I213-W303 HydrophobicContact CG2-CZ3 3.66Å; A229-W303 HydrophobicContact CB-CZ2 4.5Å; F267-W303 HydrophobicContact CB-CZ3 4.38Å; F267-W303 HydrophobicContact CD2-CE3 4.12Å; F267-W303 HydrophobicContact CD2-CZ3 4.42Å; I299-W303 WeakPolarHBondContact O-CB 3.28Å; I299-W303 PolarHBondContact O-N 2.92Å; I299-W303 VanDerWaalsContact O-N 3.08Å; L300-W303 HydrophobicContact CD1-CE3 4.17Å; L300-W303 HydrophobicContact CD1-CZ3 4.49Å; L300-W303 WeakPolarHBondContact O-CB 3.42Å; L300-W303 PolarHBondContact O-N 3.41Å; I301-W303 VanDerWaalsContact C-N 3.32Å; I301-W303 PolarHBondContact O-N 3.21Å; W303-S309 VanDerWaalsContact O-CB 3.25Å; W303-S309 WeakPolarHBondContact O-CB 3.48Å; W303-S309 PolarHBondContact O-OG 2.98Å
304	L	95.8	Very high	96.2	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-80	-42.7	175.4	-66.6	175.4	0	0	0	114.1	M87 V175 I213 L300 I301 P302	M87-L304 HydrophobicContact CE-CB 4.47Å; M87-L304 HydrophobicContact CE-CD1 3.32Å; M87-L304 HydrophobicContact CE-CG 4.49Å; V175-L304 HydrophobicContact CG2-CD1 4.32Å; V175-L304 HydrophobicContact CG2-CD2 4.35Å; I213-L304 HydrophobicContact CD1-CD2 3.1Å; I213-L304 HydrophobicContact CG1-CD2 4.41Å; I213-L304 HydrophobicContact CG2-CD2 4.33Å; L300-L304 HydrophobicContact CD1-CD1 3.73Å; L300-L304 HydrophobicContact CD1-CG 4.07Å; L300-L304 HydrophobicContact CG-CD1 4.03Å; L300-L304 WeakPolarHBondContact O-CG 3.41Å; L300-L304 PolarHBondContact O-N 2.83Å; I301-L304 PolarHBondContact O-N 2.92Å; P302-L304 PolarHBondContact O-N 3.29Å
305	L	96.7	Very high	95.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-117.2	0.5	-162.4	-62.2	-179.6	0	0	0	114.8	V70 M87 Y90 M91 I301 P302 L310	V70-L305 HydrophobicContact CB-CD2 4.41Å; V70-L305 HydrophobicContact CG1-CD2 4.25Å; V70-L305 HydrophobicContact CG2-CD2 3.75Å; M87-L305 HydrophobicContact CB-CD1 3.62Å; M87-L305 HydrophobicContact CG-CD1 3.72Å; M87-L305 HydrophobicContact SD-CD1 4.35Å; Y90-L305 HydrophobicContact CD1-CB 3.69Å; Y90-L305 HydrophobicContact CD1-CD1 4.16Å; Y90-L305 HydrophobicContact CE1-CB 3.64Å; M91-L305 HydrophobicContact CG-CD1 4.19Å; M91-L305 HydrophobicContact SD-CB 4.16Å; M91-L305 HydrophobicContact SD-CD1 3.92Å; M91-L305 HydrophobicContact SD-CG 4.46Å; I301-L305 HydrophobicContact CG2-CD1 3.97Å; I301-L305 WeakPolarHBondContact O-CB 3.33Å; I301-L305 PolarHBondContact O-N 2.84Å; P302-L305 PolarHBondContact O-N 3.43Å; L305-L310 HydrophobicContact CD2-CD2 4.28Å
306	S	95.6	Very high	95.2	Very high	24 Å²	24	35.7 Å²	35.7	17%	0.168	18%	0.182	C	C	.	.	S	Bend	trans	-59.8	148.3	175.1	66.2	0	0	0	0	110.7	P302 E308 S309 L310	P302-S306 WeakPolarHBondContact O-CA 3.34Å; P302-S306 WeakPolarHBondContact O-CB 3.47Å; P302-S306 PolarHBondContact O-N 3.04Å; P302-S306 PolarHBondContact O-OG 3.45Å; P302-S306 VanDerWaalsContact O-OG 3.06Å; S306-E308 PolarHBondContact O-N 2.77Å; S306-S309 PolarHBondContact O-N 3.15Å; S306-S309 PolarHBondContact OG-OG 2.94Å; S306-S309 VanDerWaalsContact OG-OG 3.14Å; S306-L310 WeakPolarHBondContact O-CG 3.34Å; S306-L310 PolarHBondContact O-N 2.97Å
307	P	95.1	Very high	94.6	Very high	38 Å²	38	37.2 Å²	37.2	25%	0.247	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.1	-177.4	-28.7	35.2	0	0	0	115	I132 N133 K134	I132-P307 HydrophobicContact CG2-CB 4.05Å; I132-P307 HydrophobicContact CG2-CG 3.84Å; N133-P307 WeakPolarHBondContact O-CB 3.45Å; K134-P307 PolarHBondContact NZ-O 2.7Å
308	E	93.8	Very high	94.3	Very high	158 Å²	158	42.2 Å²	42.2	74%	0.738	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-45.2	175.5	-72.8	170.5	-150.5	0	0	112.2	P135 S306 L310	P135-E308 HydrophobicContact CG-CG 3.52Å; S306-E308 PolarHBondContact O-N 2.77Å; E308-L310 VanDerWaalsContact C-N 3.32Å; E308-L310 PolarHBondContact O-N 3.44Å
309	S	93.7	Very high	94.3	Very high	40 Å²	40	43.2 Å²	43.2	28%	0.28	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.7	-177.6	-60.4	0	0	0	0	114.8	W303 S306 D311	W303-S309 VanDerWaalsContact O-CB 3.25Å; W303-S309 WeakPolarHBondContact O-CB 3.48Å; W303-S309 PolarHBondContact O-OG 2.98Å; S306-S309 PolarHBondContact O-N 3.15Å; S306-S309 PolarHBondContact OG-OG 2.94Å; S306-S309 VanDerWaalsContact OG-OG 3.14Å; S309-D311 PolarHBondContact O-N 2.78Å
310	L	95	Very high	94.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.			trans	-71.8	95.9	-175.8	-68.7	177.6	0	0	0	112.2	V68 I132 K134 V140 V142 L305 S306 E308 I312	V68-L310 HydrophobicContact CG1-CB 4.13Å; V68-L310 HydrophobicContact CG1-CD2 3.84Å; V68-L310 HydrophobicContact CG2-CB 4.04Å; I132-L310 HydrophobicContact CB-CD1 4.03Å; I132-L310 HydrophobicContact CG1-CD1 4.27Å; I132-L310 HydrophobicContact CG2-CD1 3.86Å; K134-L310 PolarHBondContact NZ-O 3.46Å; V140-L310 HydrophobicContact CG2-CD1 4.38Å; V142-L310 HydrophobicContact CG1-CD2 4.47Å; V142-L310 HydrophobicContact CG2-CD1 3.67Å; V142-L310 HydrophobicContact CG2-CD2 4.24Å; L305-L310 HydrophobicContact CD2-CD2 4.28Å; S306-L310 WeakPolarHBondContact O-CG 3.34Å; S306-L310 PolarHBondContact O-N 2.97Å; E308-L310 VanDerWaalsContact C-N 3.32Å; E308-L310 PolarHBondContact O-N 3.44Å; L310-I312 PolarHBondContact O-N 2.78Å
311	D	94.6	Very high	94.2	Very high	59 Å²	59	41.2 Å²	41.2	32%	0.316	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-73.6	117.1	174.8	-67.9	-39.7	0	0	0	111.1	V68 S172 I173 S211 S309	V68-D311 WeakPolarHBondContact CG1-O 3.37Å; S172-D311 WeakPolarHBondContact CB-O 3.35Å; S172-D311 PolarHBondContact OG-O 2.91Å; I173-D311 HydrophobicContact CG1-CB 4.33Å; S211-D311 PolarHBondContact OG-OD2 2.89Å; S309-D311 PolarHBondContact O-N 2.78Å
312	I	97.2	Very high	94.2	Very high	13 Å²	13	41.2 Å²	41.2	7%	0.067	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-64.7	137	174.4	-66.7	155.4	0	0	0	108.9	E66 V68 K134 V140 Q210 L310 E314 K319	E66-I312 HydrophobicContact CB-CD1 4.5Å; E66-I312 HydrophobicContact CB-CG1 4.42Å; E66-I312 HydrophobicContact CB-CG2 3.85Å; E66-I312 HydrophobicContact CG-CG2 4.39Å; E66-I312 VanDerWaalsContact OE2-CD1 3.23Å; E66-I312 WeakPolarHBondContact OE2-CD1 3.37Å; V68-I312 HydrophobicContact CG2-CG1 4.27Å; K134-I312 HydrophobicContact CD-CD1 4.35Å; V140-I312 HydrophobicContact CG1-CD1 4.05Å; V140-I312 HydrophobicContact CG1-CG1 3.92Å; Q210-I312 PolarHBondContact NE2-O 3.16Å; L310-I312 PolarHBondContact O-N 2.78Å; I312-E314 PolarHBondContact O-N 3.23Å; I312-K319 HydrophobicContact CG2-CB 4.13Å; I312-K319 HydrophobicContact CG2-CD 4.26Å; I312-K319 HydrophobicContact CG2-CG 4.16Å
313	K	97.5	Very high	94.1	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-61.7	124.7	178.1	-178.1	55.8	174	175	0	111.1	V67 M169 I170 S171 I315 I320 L325	V67-K313 HydrophobicContact CG1-CB 3.97Å; V67-K313 WeakPolarHBondContact O-CB 3.5Å; V67-K313 PolarHBondContact O-N 2.96Å; M169-K313 WeakPolarHBondContact O-CE 3.34Å; M169-K313 PolarHBondContact O-NZ 3.3Å; I170-K313 WeakPolarHBondContact O-CE 3.5Å; S171-K313 WeakPolarHBondContact O-CE 3.27Å; S171-K313 PolarHBondContact O-NZ 3.13Å; K313-I315 HydrophobicContact CD-CG1 4.5Å; K313-I320 HydrophobicContact CB-CB 4.3Å; K313-I320 HydrophobicContact CG-CB 4.13Å; K313-I320 HydrophobicContact CG-CG1 4.22Å; K313-I320 PolarHBondContact O-N 3.45Å; K313-L325 HydrophobicContact CG-CD1 4.27Å
314	E	94.6	Very high	93.9	Very high	75 Å²	75	42.2 Å²	42.2	35%	0.35	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.5	173.2	-67.5	-180	-179.5	0	0	110.3	I312 N318 K319	I312-E314 PolarHBondContact O-N 3.23Å; E314-N318 VanDerWaalsContact CA-O 3.27Å; E314-N318 WeakPolarHBondContact CA-O 3.49Å; E314-K319 HydrophobicContact CG-CG 3.98Å; E314-K319 WeakPolarHBondContact OE1-CE 3.14Å
315	I	89.3	Confident	93.9	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.015	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.4	171.4	-59.5	174.6	0	0	0	106.7	K313 G317 N318 I320 Y328	K313-I315 HydrophobicContact CD-CG1 4.5Å; I315-G317 PolarHBondContact O-N 3.5Å; I315-N318 PolarHBondContact N-O 3.26Å; I315-N318 PolarHBondContact O-N 3.47Å; I315-I320 HydrophobicContact CB-CD1 4.14Å; I315-I320 HydrophobicContact CB-CG1 4.11Å; I315-I320 HydrophobicContact CD1-CG1 4.04Å; I315-I320 HydrophobicContact CG1-CD1 4.43Å; I315-I320 HydrophobicContact CG1-CG1 3.91Å; I315-Y328 HydrophobicContact CB-CE1 4.48Å; I315-Y328 HydrophobicContact CB-CE2 4.44Å; I315-Y328 HydrophobicContact CD1-CD1 3.8Å; I315-Y328 HydrophobicContact CD1-CD2 3.6Å; I315-Y328 HydrophobicContact CD1-CE1 3.97Å; I315-Y328 HydrophobicContact CD1-CE2 3.78Å; I315-Y328 HydrophobicContact CD1-CG 3.61Å; I315-Y328 HydrophobicContact CG2-CE1 3.8Å
316	N	83.5	Confident	93.8	Very high	47 Å²	47	42.1 Å²	42.1	25%	0.251	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	36	-175.2	-64.7	-16.3	0	0	0	113.8	E202 T204 N318	E202-N316 PolarHBondContact OE2-ND2 3.4Å; T204-N316 WeakPolarHBondContact CB-OD1 3.33Å; N316-N318 PolarHBondContact O-N 2.98Å
317	G	85.1	Confident	93.7	Very high	43 Å²	43	46.1 Å²	46.1	44%	0.443	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	1	-179.7	0	0	0	0	0	114.9	I315	I315-G317 PolarHBondContact O-N 3.5Å
318	N	90.2	Very high	93.5	Very high	105 Å²	105	47.1 Å²	47.1	56%	0.561	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.9	177.1	-62.8	-47.2	0	0	0	110.6	E314 I315 N316 I320	E314-N318 VanDerWaalsContact CA-O 3.27Å; E314-N318 WeakPolarHBondContact CA-O 3.49Å; I315-N318 PolarHBondContact N-O 3.26Å; I315-N318 PolarHBondContact O-N 3.47Å; N316-N318 PolarHBondContact O-N 2.98Å; N318-I320 WeakPolarHBondContact O-CD1 3.45Å
319	K	95.6	Very high	93.4	Very high	93 Å²	93	39.7 Å²	39.7	40%	0.404	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	133.5	174.2	-66.2	-175.8	177.1	-169	0	110.6	E66 I312 E314	E66-K319 WeakPolarHBondContact OE1-CD 3.25Å; I312-K319 HydrophobicContact CG2-CB 4.13Å; I312-K319 HydrophobicContact CG2-CD 4.26Å; I312-K319 HydrophobicContact CG2-CG 4.16Å; E314-K319 HydrophobicContact CG-CG 3.98Å; E314-K319 WeakPolarHBondContact OE1-CE 3.14Å
320	I	96.4	Very high	93.4	Very high	11 Å²	11	40 Å²	40	6%	0.056	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-101.7	137	-173.4	-56.1	-51.3	0	0	0	110.2	E66 V67 K313 I315 N318 L325 Y328	E66-I320 WeakPolarHBondContact CA-O 3.34Å; V67-I320 HydrophobicContact CG1-CG2 4.37Å; V67-I320 PolarHBondContact N-O 3.04Å; K313-I320 HydrophobicContact CB-CB 4.3Å; K313-I320 HydrophobicContact CG-CB 4.13Å; K313-I320 HydrophobicContact CG-CG1 4.22Å; K313-I320 PolarHBondContact O-N 3.45Å; I315-I320 HydrophobicContact CB-CD1 4.14Å; I315-I320 HydrophobicContact CB-CG1 4.11Å; I315-I320 HydrophobicContact CD1-CG1 4.04Å; I315-I320 HydrophobicContact CG1-CD1 4.43Å; I315-I320 HydrophobicContact CG1-CG1 3.91Å; N318-I320 WeakPolarHBondContact O-CD1 3.45Å; I320-L325 HydrophobicContact CG2-CB 4.06Å; I320-L325 HydrophobicContact CG2-CD1 4.28Å; I320-Y328 HydrophobicContact CD1-CD2 4.42Å; I320-Y328 HydrophobicContact CD1-CE2 3.69Å; I320-Y328 HydrophobicContact CG1-CE2 4.4Å; I320-Y328 HydrophobicContact CG2-CD2 4.42Å
321	T	97.4	Very high	93.1	Very high	44 Å²	44	42.4 Å²	42.4	27%	0.27	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-93.4	167.2	171.8	62.3	0	0	0	0	111.2	K65 R323 G324 L325	K65-T321 CarbonylContact O-C 3.51Å; K65-T321 WeakPolarHBondContact O-CA 3.38Å; K65-T321 WeakPolarHBondContact O-CB 3.38Å; T321-R323 PolarHBondContact O-N 3.45Å; T321-G324 PolarHBondContact O-N 2.91Å; T321-G324 PolarHBondContact OG1-N 2.8Å; T321-L325 PolarHBondContact O-N 3.43Å
322	C	96.8	Very high	92.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-54	-41.1	173.3	-68	0	0	0	0	112.4	L57 V62 K65 A141 L325 V326	L57-C322 HydrophobicContact CB-CB 4.27Å; L57-C322 HydrophobicContact CD2-CB 4.15Å; L57-C322 WeakPolarHBondContact O-CB 3.32Å; V62-C322 HydrophobicContact CG2-CB 4.37Å; V62-C322 WeakPolarHBondContact O-CB 3.27Å; K65-C322 PolarHBondContact O-N 2.75Å; A141-C322 WeakPolarHBondContact CB-SG 3.33Å; C322-L325 PolarHBondContact O-N 2.72Å; C322-V326 WeakPolarHBondContact O-CG2 3.41Å; C322-V326 PolarHBondContact O-N 2.78Å
323	R	95.4	Very high	92.4	Very high	108 Å²	108	39.8 Å²	39.8	41%	0.408	21%	0.21	S	C	.	.	H	α-helix	trans	-61.5	-47	173.6	-176.7	-174.3	-59.3	153.7	13	112.2	L58 R63 D64 T321 L325 V326	L58-R323 HydrophobicContact CD2-CB 3.93Å; L58-R323 HydrophobicContact CD2-CG 3.87Å; R63-R323 WeakPolarHBondContact O-CB 3.4Å; R63-R323 PolarHBondContact O-N 3.42Å; D64-R323 IonicContact OD1-CZ 3.79Å; D64-R323 VanDerWaalsContact OD1-CZ 3.28Å; D64-R323 IonicContact OD1-NH1 3.55Å; D64-R323 IonicContact OD1-NH2 2.76Å; D64-R323 PolarHBondContact OD1-NH2 3.43Å; D64-R323 IonicContact OD2-NH2 2.69Å; T321-R323 PolarHBondContact O-N 3.45Å; R323-L325 VanDerWaalsContact C-N 3.29Å; R323-L325 PolarHBondContact O-N 3.42Å; R323-V326 PolarHBondContact O-N 3.36Å
324	G	92.3	Very high	92	Very high	21 Å²	21	47.1 Å²	47.1	22%	0.216	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-39	178.6	0	0	0	0	0	112.3	T321 V326 E327 Y328	T321-G324 PolarHBondContact O-N 2.91Å; T321-G324 PolarHBondContact OG1-N 2.8Å; G324-V326 VanDerWaalsContact C-N 3.28Å; G324-V326 PolarHBondContact O-N 3.03Å; G324-E327 PolarHBondContact O-N 2.88Å; G324-E327 VanDerWaalsContact O-N 3.16Å; G324-Y328 VanDerWaalsContact O-CD2 3.27Å; G324-Y328 WeakPolarHBondContact O-CD2 3.32Å; G324-Y328 PolarHBondContact O-N 2.95Å; G324-Y328 VanDerWaalsContact O-N 3.12Å
325	L	95.4	Very high	91.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-37.2	-179.7	-165.3	68.5	0	0	0	112.4	L57 V67 L143 I170 K313 I320 T321 C322 R323 Y328 F329	L57-L325 HydrophobicContact CD1-CD2 4.3Å; V67-L325 HydrophobicContact CG1-CB 4.19Å; V67-L325 HydrophobicContact CG1-CD1 4.37Å; V67-L325 HydrophobicContact CG1-CD2 3.93Å; V67-L325 HydrophobicContact CG1-CG 4.4Å; V67-L325 HydrophobicContact CG2-CD2 4.03Å; L143-L325 HydrophobicContact CD2-CD2 3.95Å; I170-L325 HydrophobicContact CD1-CD1 4.34Å; I170-L325 HydrophobicContact CG2-CD1 3.98Å; I170-L325 HydrophobicContact CG2-CD2 4.19Å; I170-L325 HydrophobicContact CG2-CG 4.21Å; K313-L325 HydrophobicContact CG-CD1 4.27Å; I320-L325 HydrophobicContact CG2-CB 4.06Å; I320-L325 HydrophobicContact CG2-CD1 4.28Å; T321-L325 PolarHBondContact O-N 3.43Å; C322-L325 PolarHBondContact O-N 2.72Å; R323-L325 VanDerWaalsContact C-N 3.29Å; R323-L325 PolarHBondContact O-N 3.42Å; L325-Y328 PolarHBondContact O-N 3.08Å; L325-F329 PolarHBondContact O-N 3.39Å
326	V	95.2	Very high	91.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-46.5	175.4	170.6	0	0	0	0	111.2	L53 N54 L57 L58 C322 R323 G324 Y328 F329 K330	L53-V326 HydrophobicContact CD2-CG1 4.36Å; L53-V326 HydrophobicContact CD2-CG2 4.37Å; L53-V326 HydrophobicContact CG-CG2 4.25Å; N54-V326 WeakPolarHBondContact OD1-CG1 3.44Å; L57-V326 HydrophobicContact CB-CG2 3.51Å; L57-V326 HydrophobicContact CD1-CG2 3.68Å; L57-V326 HydrophobicContact CG-CG2 4.23Å; L58-V326 HydrophobicContact CD2-CG2 4.13Å; L58-V326 HydrophobicContact CG-CG2 4.35Å; C322-V326 WeakPolarHBondContact O-CG2 3.41Å; C322-V326 PolarHBondContact O-N 2.78Å; R323-V326 PolarHBondContact O-N 3.36Å; G324-V326 VanDerWaalsContact C-N 3.28Å; G324-V326 PolarHBondContact O-N 3.03Å; V326-Y328 VanDerWaalsContact C-N 3.34Å; V326-Y328 PolarHBondContact O-N 3.27Å; V326-F329 WeakPolarHBondContact O-CB 3.25Å; V326-F329 PolarHBondContact O-N 3.24Å; V326-K330 HydrophobicContact CG1-CD 4.44Å; V326-K330 WeakPolarHBondContact O-CG 3.19Å; V326-K330 PolarHBondContact O-N 3.01Å
327	E	93.1	Very high	91.4	Very high	109 Å²	109	47.9 Å²	47.9	51%	0.509	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-40.9	179.6	-63	-55.1	135.6	0	0	111.6	G324 F329 K330 A331	G324-E327 PolarHBondContact O-N 2.88Å; G324-E327 VanDerWaalsContact O-N 3.16Å; E327-F329 VanDerWaalsContact C-N 3.35Å; E327-F329 PolarHBondContact O-N 3.23Å; E327-K330 PolarHBondContact O-N 3.11Å; E327-A331 WeakPolarHBondContact O-CB 3.35Å; E327-A331 PolarHBondContact O-N 3.38Å
328	Y	91.6	Very high	91.2	Very high	58 Å²	58	47 Å²	47	23%	0.227	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-40.3	173	-80.8	-70.5	0	0	0	112.4	I315 I320 G324 L325 V326 K330 A331 Y332	I315-Y328 HydrophobicContact CB-CE1 4.48Å; I315-Y328 HydrophobicContact CB-CE2 4.44Å; I315-Y328 HydrophobicContact CD1-CD1 3.8Å; I315-Y328 HydrophobicContact CD1-CD2 3.6Å; I315-Y328 HydrophobicContact CD1-CE1 3.97Å; I315-Y328 HydrophobicContact CD1-CE2 3.78Å; I315-Y328 HydrophobicContact CD1-CG 3.61Å; I315-Y328 HydrophobicContact CG2-CE1 3.8Å; I320-Y328 HydrophobicContact CD1-CD2 4.42Å; I320-Y328 HydrophobicContact CD1-CE2 3.69Å; I320-Y328 HydrophobicContact CG1-CE2 4.4Å; I320-Y328 HydrophobicContact CG2-CD2 4.42Å; G324-Y328 VanDerWaalsContact O-CD2 3.27Å; G324-Y328 WeakPolarHBondContact O-CD2 3.32Å; G324-Y328 PolarHBondContact O-N 2.95Å; G324-Y328 VanDerWaalsContact O-N 3.12Å; L325-Y328 PolarHBondContact O-N 3.08Å; V326-Y328 VanDerWaalsContact C-N 3.34Å; V326-Y328 PolarHBondContact O-N 3.27Å; Y328-K330 VanDerWaalsContact C-N 3.32Å; Y328-K330 PolarHBondContact O-N 2.87Å; Y328-A331 PolarHBondContact O-N 3.12Å; Y328-Y332 HydrophobicContact CD1-CE1 4.18Å; Y328-Y332 AromaticContact CD1-CE2 3.96Å; Y328-Y332 HydrophobicContact CD1-CE2 3.96Å; Y328-Y332 AromaticContact CD1-CZ 3.58Å; Y328-Y332 WeakPolarHBondContact CD1-OH 3.4Å; Y328-Y332 HydrophobicContact CG-CE2 4.33Å; Y328-Y332 WeakPolarHBondContact O-CB 3.41Å; Y328-Y332 WeakPolarHBondContact O-CD2 3.26Å; Y328-Y332 PolarHBondContact O-N 3.33Å
329	F	92.4	Very high	90.4	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.013	24%	0.242	C	C	.	.	H	α-helix	trans	-58.7	-45.7	175.9	-143.2	-60	0	0	0	111.2	V37 L48 L53 I123 I170 L325 V326 E327 I333	V37-F329 HydrophobicContact CG2-CZ 4.25Å; L48-F329 HydrophobicContact CD1-CD1 3.43Å; L48-F329 VanDerWaalsContact CD1-CD1 3.43Å; L48-F329 HydrophobicContact CD1-CE1 3.45Å; L48-F329 VanDerWaalsContact CD1-CE1 3.45Å; L48-F329 HydrophobicContact CD1-CG 4.31Å; L48-F329 HydrophobicContact CD1-CZ 4.33Å; L48-F329 HydrophobicContact CD2-CB 4.47Å; L48-F329 HydrophobicContact CD2-CD1 3.88Å; L48-F329 HydrophobicContact CG-CD1 4.3Å; L53-F329 HydrophobicContact CD2-CB 3.87Å; L53-F329 HydrophobicContact CD2-CD1 4.47Å; L53-F329 HydrophobicContact CD2-CD2 4.13Å; L53-F329 HydrophobicContact CD2-CG 3.91Å; I123-F329 HydrophobicContact CD1-CZ 4.43Å; I170-F329 HydrophobicContact CD1-CB 4.2Å; I170-F329 HydrophobicContact CD1-CD2 3.89Å; I170-F329 HydrophobicContact CD1-CG 4.17Å; I170-F329 HydrophobicContact CG1-CD2 3.9Å; I170-F329 HydrophobicContact CG1-CE2 4.09Å; I170-F329 HydrophobicContact CG1-CG 4.44Å; I170-F329 HydrophobicContact CG2-CD2 4.17Å; I170-F329 HydrophobicContact CG2-CE2 4.2Å; L325-F329 PolarHBondContact O-N 3.39Å; V326-F329 WeakPolarHBondContact O-CB 3.25Å; V326-F329 PolarHBondContact O-N 3.24Å; E327-F329 VanDerWaalsContact C-N 3.35Å; E327-F329 PolarHBondContact O-N 3.23Å; F329-I333 WeakPolarHBondContact O-CB 3.29Å; F329-I333 VanDerWaalsContact O-CG2 3.31Å; F329-I333 WeakPolarHBondContact O-CG2 3.46Å; F329-I333 PolarHBondContact O-N 3.33Å
330	K	91.7	Very high	89.4	Confident	47 Å²	47	52.4 Å²	52.4	20%	0.204	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-42.4	177.4	-66.9	-179.8	-169.8	-165.6	0	112.7	L48 E50 V326 E327 Y328 I333 K334	L48-K330 HydrophobicContact CD2-CG 3.83Å; E50-K330 HydrophobicContact CG-CD 4.47Å; E50-K330 HydrophobicContact CG-CG 4.36Å; E50-K330 WeakPolarHBondContact OE2-CE 3.32Å; E50-K330 IonicContact OE2-NZ 3.98Å; E50-K330 PolarHBondContact OE2-NZ 3.48Å; V326-K330 HydrophobicContact CG1-CD 4.44Å; V326-K330 WeakPolarHBondContact O-CG 3.19Å; V326-K330 PolarHBondContact O-N 3.01Å; E327-K330 PolarHBondContact O-N 3.11Å; Y328-K330 VanDerWaalsContact C-N 3.32Å; Y328-K330 PolarHBondContact O-N 2.87Å; K330-I333 VanDerWaalsContact O-CG2 3.28Å; K330-I333 WeakPolarHBondContact O-CG2 3.49Å; K330-K334 WeakPolarHBondContact O-CB 3.3Å; K330-K334 PolarHBondContact O-N 3.06Å
331	A	89.1	Confident	88.4	Confident	49 Å²	49	52.8 Å²	52.8	41%	0.405	26%	0.262	S	S	.	.	H	α-helix	trans	-64.3	-50.1	178.3	0	0	0	0	0	111.1	E327 Y328 I333 K334 I335	E327-A331 WeakPolarHBondContact O-CB 3.35Å; E327-A331 PolarHBondContact O-N 3.38Å; Y328-A331 PolarHBondContact O-N 3.12Å; A331-I333 PolarHBondContact O-N 3.3Å; A331-K334 PolarHBondContact O-N 3.31Å; A331-I335 WeakPolarHBondContact O-CG1 3.5Å; A331-I335 PolarHBondContact O-N 3.29Å
332	Y	90	Very high	87.4	Confident	11 Å²	11	54.8 Å²	54.8	4%	0.043	28%	0.276	C	S	.	.	H	α-helix	trans	-66.2	-40.7	-178	-62.4	-32.1	0	0	0	112.7	M169 I170 M201 Y328 K334 I335 Y336	M169-Y332 HydrophobicContact CB-CD2 4.13Å; M169-Y332 HydrophobicContact CB-CE2 3.97Å; M169-Y332 HydrophobicContact CE-CD1 4.36Å; M169-Y332 HydrophobicContact CE-CD2 4.05Å; M169-Y332 HydrophobicContact CE-CG 3.89Å; M169-Y332 HydrophobicContact SD-CD1 4.35Å; M169-Y332 HydrophobicContact SD-CD2 4.33Å; M169-Y332 HydrophobicContact SD-CE1 4.42Å; M169-Y332 HydrophobicContact SD-CE2 4.4Å; M169-Y332 HydrophobicContact SD-CG 4.32Å; I170-Y332 HydrophobicContact CD1-CD2 3.91Å; I170-Y332 HydrophobicContact CD1-CE2 4.21Å; M201-Y332 HydrophobicContact CG-CE1 4.39Å; Y328-Y332 HydrophobicContact CD1-CE1 4.18Å; Y328-Y332 AromaticContact CD1-CE2 3.96Å; Y328-Y332 HydrophobicContact CD1-CE2 3.96Å; Y328-Y332 AromaticContact CD1-CZ 3.58Å; Y328-Y332 WeakPolarHBondContact CD1-OH 3.4Å; Y328-Y332 HydrophobicContact CG-CE2 4.33Å; Y328-Y332 WeakPolarHBondContact O-CB 3.41Å; Y328-Y332 WeakPolarHBondContact O-CD2 3.26Å; Y328-Y332 PolarHBondContact O-N 3.33Å; Y332-K334 VanDerWaalsContact C-N 3.29Å; Y332-K334 PolarHBondContact O-N 3.47Å; Y332-I335 PolarHBondContact O-N 2.97Å; Y332-Y336 WeakPolarHBondContact O-CD2 3.24Å; Y332-Y336 PolarHBondContact O-N 2.97Å
333	I	88.7	Confident	86.4	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-37.6	177.6	-168.6	55.9	0	0	0	111.8	L38 F46 L48 L166 F329 K330 A331 I335 Y336 Q337	L38-I333 HydrophobicContact CD1-CD1 3.42Å; L38-I333 VanDerWaalsContact CD1-CD1 3.42Å; L38-I333 HydrophobicContact CD1-CG1 4.13Å; F46-I333 HydrophobicContact CB-CD1 3.67Å; F46-I333 HydrophobicContact CG-CD1 4.45Å; L48-I333 HydrophobicContact CB-CG1 4.33Å; L48-I333 HydrophobicContact CB-CG2 4.06Å; L48-I333 HydrophobicContact CD2-CG2 3.89Å; L166-I333 HydrophobicContact CD1-CD1 3.9Å; F329-I333 WeakPolarHBondContact O-CB 3.29Å; F329-I333 VanDerWaalsContact O-CG2 3.31Å; F329-I333 WeakPolarHBondContact O-CG2 3.46Å; F329-I333 PolarHBondContact O-N 3.33Å; K330-I333 VanDerWaalsContact O-CG2 3.28Å; K330-I333 WeakPolarHBondContact O-CG2 3.49Å; A331-I333 PolarHBondContact O-N 3.3Å; I333-I335 VanDerWaalsContact C-N 3.3Å; I333-I335 PolarHBondContact O-N 3.1Å; I333-Y336 PolarHBondContact O-N 3.24Å; I333-Q337 HydrophobicContact CG1-CG 4.34Å; I333-Q337 WeakPolarHBondContact O-CG 3.11Å; I333-Q337 PolarHBondContact O-N 3.34Å
334	K	88.3	Confident	85.5	Confident	155 Å²	155	53.5 Å²	53.5	67%	0.674	28%	0.276	S	S	*	.	H	α-helix	trans	-63.6	-36.7	178.6	-173.8	175.6	179.7	-178.3	0	111.9	K330 A331 Y332 G338	K330-K334 WeakPolarHBondContact O-CB 3.3Å; K330-K334 PolarHBondContact O-N 3.06Å; A331-K334 PolarHBondContact O-N 3.31Å; Y332-K334 VanDerWaalsContact C-N 3.29Å; Y332-K334 PolarHBondContact O-N 3.47Å; K334-G338 PolarHBondContact O-N 3.01Å
335	I	86.4	Confident	84.8	Confident	44 Å²	44	56.2 Å²	56.2	23%	0.226	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-44.6	174.5	-63.4	168.7	0	0	0	110.3	A200 A331 Y332 I333 G338 L341	A200-I335 HydrophobicContact CB-CD1 4.43Å; A200-I335 HydrophobicContact CB-CG2 4.12Å; A200-I335 WeakPolarHBondContact O-CD1 3.49Å; A331-I335 WeakPolarHBondContact O-CG1 3.5Å; A331-I335 PolarHBondContact O-N 3.29Å; Y332-I335 PolarHBondContact O-N 2.97Å; I333-I335 VanDerWaalsContact C-N 3.3Å; I333-I335 PolarHBondContact O-N 3.1Å; I335-G338 PolarHBondContact O-N 2.93Å; I335-G338 VanDerWaalsContact O-N 3.17Å; I335-L341 HydrophobicContact CG2-CD1 3.54Å; I335-L341 HydrophobicContact CG2-CD2 4.33Å; I335-L341 HydrophobicContact CG2-CG 3.73Å
336	Y	84.4	Confident	83.9	Confident	1 Å²	1	58.8 Å²	58.8	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-74.4	-23.5	-179.8	-68.7	-57.8	0	0	0	115.1	R158 T162 A165 L166 M169 Y196 G197 A200 Y332 I333 G338 L341	R158-Y336 PolarHBondContact NH2-O 2.78Å; T162-Y336 HydrophobicContact CG2-CD1 4.31Å; T162-Y336 HydrophobicContact CG2-CD2 4.01Å; T162-Y336 HydrophobicContact CG2-CG 3.81Å; A165-Y336 WeakPolarHBondContact CB-OH 3.3Å; L166-Y336 HydrophobicContact CD1-CD2 4.09Å; L166-Y336 HydrophobicContact CD1-CE2 4.47Å; L166-Y336 HydrophobicContact CD2-CD2 3.71Å; L166-Y336 HydrophobicContact CD2-CE2 3.63Å; L166-Y336 HydrophobicContact CG-CD2 3.75Å; L166-Y336 HydrophobicContact CG-CE2 3.66Å; M169-Y336 HydrophobicContact CE-CE2 3.36Å; M169-Y336 WeakPolarHBondContact CE-OH 3.44Å; Y196-Y336 HydrophobicContact CD1-CD1 4.36Å; Y196-Y336 AromaticContact CD1-CE1 3.63Å; Y196-Y336 HydrophobicContact CD1-CE1 3.63Å; Y196-Y336 AromaticContact CE1-CD1 3.54Å; Y196-Y336 HydrophobicContact CE1-CD1 3.54Å; Y196-Y336 AromaticContact CE1-CE1 3.24Å; Y196-Y336 HydrophobicContact CE1-CE1 3.24Å; Y196-Y336 HydrophobicContact CE2-CE1 4.42Å; Y196-Y336 HydrophobicContact CG-CE1 4.39Å; Y196-Y336 AromaticContact CZ-CD1 3.79Å; Y196-Y336 AromaticContact CZ-CE1 3.69Å; Y196-Y336 PolarHBondContact O-OH 2.89Å; Y196-Y336 VanDerWaalsContact O-OH 3.1Å; G197-Y336 WeakPolarHBondContact CA-OH 3.37Å; A200-Y336 HydrophobicContact CB-CE1 4.27Å; A200-Y336 HydrophobicContact CB-CE2 4.37Å; Y332-Y336 WeakPolarHBondContact O-CD2 3.24Å; Y332-Y336 PolarHBondContact O-N 2.97Å; I333-Y336 PolarHBondContact O-N 3.24Å; Y336-G338 VanDerWaalsContact C-N 3.28Å; Y336-L341 HydrophobicContact CD1-CD1 3.67Å; Y336-L341 HydrophobicContact CE1-CD1 3.44Å; Y336-L341 VanDerWaalsContact CE1-CD1 3.44Å
337	Q	84.1	Confident	82.8	Confident	96 Å²	96	65 Å²	65	45%	0.449	33%	0.33	S	S	.	.	H	α-helix	trans	-71.6	-24.9	169.1	-75.1	173.8	-17.5	0	0	112.1	F46 I333	F46-Q337 PolarHBondContact O-NE2 3.14Å; I333-Q337 HydrophobicContact CG1-CG 4.34Å; I333-Q337 WeakPolarHBondContact O-CG 3.11Å; I333-Q337 PolarHBondContact O-N 3.34Å
338	G	79.8	Confident	82.2	Confident	26 Å²	26	64.9 Å²	64.9	27%	0.268	33%	0.333	S	S	.	.	S	Bend	trans	-76	174.8	174.8	0	0	0	0	0	113.5	K334 I335 Y336	K334-G338 PolarHBondContact O-N 3.01Å; I335-G338 PolarHBondContact O-N 2.93Å; I335-G338 VanDerWaalsContact O-N 3.17Å; Y336-G338 VanDerWaalsContact C-N 3.28Å
339	E	75.3	Confident	81.6	Confident	141 Å²	141	66.2 Å²	66.2	66%	0.659	34%	0.341	S	S	*	.	S	Bend	trans	-105.1	15.9	172.6	-64.8	-76.5	136.6	0	0	111.1	R158 H343	R158-E339 IonicContact NH1-OE1 2.97Å; E339-H343 VanDerWaalsContact CD-CE1 3.45Å; E339-H343 IonicContact OE1-CE1 3.57Å; E339-H343 PolarHBondContact OE1-CE1 3.4Å; E339-H343 VanDerWaalsContact OE1-CE1 3.3Å; E339-H343 IonicContact OE1-NE2 2.69Å; E339-H343 PolarHBondContact OE1-NE2 3.03Å; E339-H343 IonicContact OE2-CE1 3.69Å; E339-H343 PolarHBondContact OE2-CE1 2.75Å; E339-H343 IonicContact OE2-NE2 2.77Å; E339-H343 PolarHBondContact OE2-NE2 3.48Å
340	E	73.4	Confident	81	Confident	170 Å²	170	68.1 Å²	68.1	79%	0.794	36%	0.357	S	S	*	.	S	Bend	trans	-72	-32.2	-178.7	-66.5	-177.3	175.9	0	0	112.1
341	L	76.6	Confident	80.4	Confident	19 Å²	19	68.5 Å²	68.5	10%	0.099	36%	0.364	C	S	.	.	S	Bend	trans	-90.4	140.6	179.6	-66.7	-176.9	0	0	0	111.9	Y196 L199 A200 I335 Y336 H343	Y196-L341 HydrophobicContact CE2-CB 4.06Å; Y196-L341 HydrophobicContact CE2-CD1 4.31Å; L199-L341 HydrophobicContact CB-CD2 3.82Å; A200-L341 HydrophobicContact CB-CD1 3.98Å; I335-L341 HydrophobicContact CG2-CD1 3.54Å; I335-L341 HydrophobicContact CG2-CD2 4.33Å; I335-L341 HydrophobicContact CG2-CG 3.73Å; Y336-L341 HydrophobicContact CD1-CD1 3.67Å; Y336-L341 HydrophobicContact CE1-CD1 3.44Å; Y336-L341 VanDerWaalsContact CE1-CD1 3.44Å; L341-H343 PolarHBondContact O-CD2 3.11Å; L341-H343 PolarHBondContact O-N 3.13Å
342	P	75.1	Confident	80.1	Confident	85 Å²	85	66.2 Å²	66.2	55%	0.552	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-63.6	128.5	175.7	27.1	-33.8	0	0	0	110.4	Y196 L199 P344	Y196-P342 VanDerWaalsContact CE2-O 3.26Å; Y196-P342 WeakPolarHBondContact CE2-O 3.44Å; L199-P342 HydrophobicContact CD1-CG 3.91Å; P342-P344 WeakPolarHBondContact O-CD 3.11Å
343	H	75.8	Confident	79.9	Confident	64 Å²	64	67.8 Å²	67.8	30%	0.296	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-67.1	130.2	-178.6	-66.7	179.9	0	0	0	111.4	R158 E339 L341 K345	R158-H343 PolarHBondContact NH1-CE1 3.13Å; R158-H343 VanDerWaalsContact NH1-CE1 3.3Å; R158-H343 PolarHBondContact NH1-NE2 3.3Å; E339-H343 VanDerWaalsContact CD-CE1 3.45Å; E339-H343 IonicContact OE1-CE1 3.57Å; E339-H343 PolarHBondContact OE1-CE1 3.4Å; E339-H343 VanDerWaalsContact OE1-CE1 3.3Å; E339-H343 IonicContact OE1-NE2 2.69Å; E339-H343 PolarHBondContact OE1-NE2 3.03Å; E339-H343 IonicContact OE2-CE1 3.69Å; E339-H343 PolarHBondContact OE2-CE1 2.75Å; E339-H343 IonicContact OE2-NE2 2.77Å; E339-H343 PolarHBondContact OE2-NE2 3.48Å; L341-H343 PolarHBondContact O-CD2 3.11Å; L341-H343 PolarHBondContact O-N 3.13Å; H343-K345 PolarHBondContact O-N 2.68Å
344	P	77.1	Confident	79.7	Confident	17 Å²	17	70.2 Å²	70.2	11%	0.11	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-59.3	120.5	171.8	-24.6	35.2	0	0	0	110.3	L157 A161 Y196 P342	L157-P344 HydrophobicContact CD2-CB 4.31Å; L157-P344 HydrophobicContact CG-CB 4.19Å; A161-P344 HydrophobicContact CB-CB 4.23Å; A161-P344 HydrophobicContact CB-CG 3.84Å; Y196-P344 HydrophobicContact CD1-CG 4.12Å; Y196-P344 HydrophobicContact CD2-CG 3.75Å; Y196-P344 HydrophobicContact CE1-CG 4.02Å; Y196-P344 HydrophobicContact CE2-CG 3.7Å; Y196-P344 HydrophobicContact CG-CG 3.98Å; P342-P344 WeakPolarHBondContact O-CD 3.11Å
345	K	77.1	Confident	79.6	Confident	78 Å²	78	65.4 Å²	65.4	34%	0.339	36%	0.355	S	S	.	.			trans	-110.3	153.2	-179.5	-71.3	168.5	-171.7	173.9	0	109.9	L157 H343 Q349 A350 E353	L157-K345 VanDerWaalsContact CD2-C 3.49Å; L157-K345 VanDerWaalsContact CD2-O 3.31Å; L157-K345 WeakPolarHBondContact CD2-O 3.42Å; H343-K345 PolarHBondContact O-N 2.68Å; K345-Q349 HydrophobicContact CB-CB 4.4Å; K345-Q349 HydrophobicContact CB-CG 4.44Å; K345-Q349 HydrophobicContact CD-CG 4.45Å; K345-A350 HydrophobicContact CB-CB 4.3Å; K345-E353 WeakPolarHBondContact CD-OE2 3.27Å; K345-E353 WeakPolarHBondContact CE-OE2 3.45Å; K345-E353 IonicContact NZ-OE1 3.01Å; K345-E353 PolarHBondContact NZ-OE1 2.83Å; K345-E353 IonicContact NZ-OE2 3.49Å; K345-E353 PolarHBondContact NZ-OE2 3.33Å
346	S	77.4	Confident	79.8	Confident	56 Å²	56	63.3 Å²	63.3	39%	0.392	34%	0.344	S	S	.	.			trans	-60.4	152.2	170.9	70.4	0	0	0	0	110.5	L348 Q349 A350	S346-L348 PolarHBondContact O-N 3.39Å; S346-Q349 PolarHBondContact O-N 2.94Å; S346-Q349 VanDerWaalsContact OG-CB 3.3Å; S346-Q349 WeakPolarHBondContact OG-CB 3.35Å; S346-Q349 PolarHBondContact OG-N 3.41Å; S346-A350 PolarHBondContact O-N 3.14Å
347	M	72.5	Confident	80.1	Confident	130 Å²	130	67 Å²	67	64%	0.64	36%	0.364	S	S	*	.	H	α-helix	trans	-54.7	-40.4	179.6	-71.8	-176.7	-93.3	0	0	112.5	T351	M347-T351 WeakPolarHBondContact O-CB 3.31Å; M347-T351 PolarHBondContact O-N 2.77Å; M347-T351 PolarHBondContact O-OG1 3.19Å
348	L	78.9	Confident	80.4	Confident	107 Å²	107	65.1 Å²	65.1	56%	0.56	36%	0.364	S	S	*	.	H	α-helix	trans	-63.5	-45.8	177	-178.3	68.9	0	0	0	111.5	S346 A352 M408	S346-L348 PolarHBondContact O-N 3.39Å; L348-A352 WeakPolarHBondContact O-CB 3.47Å; L348-A352 PolarHBondContact O-N 3.44Å; L348-M408 HydrophobicContact CD1-CB 4.24Å; L348-M408 HydrophobicContact CD1-SD 4.05Å
349	Q	80.1	Confident	81.1	Confident	85 Å²	85	64 Å²	64	40%	0.397	35%	0.353	S	S	.	.	H	α-helix	trans	-68.3	-43.8	-177.9	-174.9	178	0.8	0	0	111.8	K345 S346 A352 E353 F413	K345-Q349 HydrophobicContact CB-CB 4.4Å; K345-Q349 HydrophobicContact CB-CG 4.44Å; K345-Q349 HydrophobicContact CD-CG 4.45Å; S346-Q349 PolarHBondContact O-N 2.94Å; S346-Q349 VanDerWaalsContact OG-CB 3.3Å; S346-Q349 WeakPolarHBondContact OG-CB 3.35Å; S346-Q349 PolarHBondContact OG-N 3.41Å; Q349-A352 PolarHBondContact O-N 3.45Å; Q349-E353 WeakPolarHBondContact O-CB 3.46Å; Q349-E353 PolarHBondContact O-N 2.72Å; Q349-F413 HydrophobicContact CG-CE2 4.26Å; Q349-F413 HydrophobicContact CG-CZ 4.34Å
350	A	78.4	Confident	82.1	Confident	44 Å²	44	57.6 Å²	57.6	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-43.4	176.6	0	0	0	0	0	111.7	K345 S346 E353 A354	K345-A350 HydrophobicContact CB-CB 4.3Å; S346-A350 PolarHBondContact O-N 3.14Å; A350-E353 PolarHBondContact O-N 3.28Å; A350-A354 WeakPolarHBondContact O-CB 3.06Å; A350-A354 PolarHBondContact O-N 2.83Å
351	T	80.9	Confident	83	Confident	54 Å²	54	52.3 Å²	52.3	33%	0.331	31%	0.308	S	S	.	.	H	α-helix	trans	-66.9	-42.5	177.1	-54.6	0	0	0	0	111.5	M347 E353 A354 N355 M408	M347-T351 WeakPolarHBondContact O-CB 3.31Å; M347-T351 PolarHBondContact O-N 2.77Å; M347-T351 PolarHBondContact O-OG1 3.19Å; T351-E353 VanDerWaalsContact C-N 3.35Å; T351-E353 PolarHBondContact O-N 3.24Å; T351-A354 PolarHBondContact O-N 2.91Å; T351-N355 VanDerWaalsContact O-CB 3.32Å; T351-N355 WeakPolarHBondContact O-CB 3.41Å; T351-N355 PolarHBondContact O-N 2.94Å; T351-N355 PolarHBondContact O-ND2 3.12Å; T351-M408 HydrophobicContact CG2-CE 4.22Å; T351-M408 HydrophobicContact CG2-CG 4.21Å; T351-M408 HydrophobicContact CG2-SD 3.7Å
352	A	83	Confident	83.9	Confident	1 Å²	1	55 Å²	55	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-59.9	-44.9	176.3	0	0	0	0	0	111.6	L348 Q349 N356 M408 F413	L348-A352 WeakPolarHBondContact O-CB 3.47Å; L348-A352 PolarHBondContact O-N 3.44Å; Q349-A352 PolarHBondContact O-N 3.45Å; A352-N356 WeakPolarHBondContact O-CB 3.29Å; A352-N356 PolarHBondContact O-N 3.38Å; A352-N356 PolarHBondContact O-ND2 3.06Å; A352-M408 HydrophobicContact CB-CB 4.12Å; A352-M408 VanDerWaalsContact CB-O 3.24Å; A352-M408 WeakPolarHBondContact CB-O 3.19Å; A352-F413 HydrophobicContact CB-CD1 3.89Å; A352-F413 HydrophobicContact CB-CE1 3.61Å; A352-F413 HydrophobicContact CB-CZ 4.12Å
353	E	85.5	Confident	84.9	Confident	45 Å²	45	51 Å²	51	21%	0.21	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-48.2	176.4	174.5	163.8	-175	0	0	112.2	K345 Q349 A350 T351 N355 N356 L357 F413 Y417	K345-E353 WeakPolarHBondContact CD-OE2 3.27Å; K345-E353 WeakPolarHBondContact CE-OE2 3.45Å; K345-E353 IonicContact NZ-OE1 3.01Å; K345-E353 PolarHBondContact NZ-OE1 2.83Å; K345-E353 IonicContact NZ-OE2 3.49Å; K345-E353 PolarHBondContact NZ-OE2 3.33Å; Q349-E353 WeakPolarHBondContact O-CB 3.46Å; Q349-E353 PolarHBondContact O-N 2.72Å; A350-E353 PolarHBondContact O-N 3.28Å; T351-E353 VanDerWaalsContact C-N 3.35Å; T351-E353 PolarHBondContact O-N 3.24Å; E353-N355 PolarHBondContact O-N 3.28Å; E353-N356 PolarHBondContact O-N 3.41Å; E353-L357 HydrophobicContact CG-CD1 3.84Å; E353-L357 HydrophobicContact CG-CG 4.42Å; E353-L357 WeakPolarHBondContact O-CB 3.36Å; E353-L357 WeakPolarHBondContact O-CG 3.42Å; E353-L357 PolarHBondContact O-N 3.03Å; E353-F413 HydrophobicContact CB-CE1 4.44Å; E353-F413 HydrophobicContact CB-CZ 4.37Å; E353-Y417 VanDerWaalsContact CG-OH 3.26Å; E353-Y417 WeakPolarHBondContact CG-OH 3.37Å
354	A	83.4	Confident	85.9	Confident	56 Å²	56	51 Å²	51	46%	0.463	30%	0.299	S	S	.	.	H	α-helix	trans	-59.9	-43.7	176.8	0	0	0	0	0	112.3	A350 T351 A358	A350-A354 WeakPolarHBondContact O-CB 3.06Å; A350-A354 PolarHBondContact O-N 2.83Å; T351-A354 PolarHBondContact O-N 2.91Å; A354-A358 VanDerWaalsContact O-CB 3.29Å; A354-A358 WeakPolarHBondContact O-CB 3.34Å; A354-A358 PolarHBondContact O-N 2.88Å
355	N	87.3	Confident	86.8	Confident	55 Å²	55	53.6 Å²	53.6	29%	0.294	31%	0.312	S	S	.	.	H	α-helix	trans	-62.7	-43	176.3	-69.2	178.5	0	0	0	111.9	T351 E353 A359 K407	T351-N355 VanDerWaalsContact O-CB 3.32Å; T351-N355 WeakPolarHBondContact O-CB 3.41Å; T351-N355 PolarHBondContact O-N 2.94Å; T351-N355 PolarHBondContact O-ND2 3.12Å; E353-N355 PolarHBondContact O-N 3.28Å; N355-A359 WeakPolarHBondContact O-CB 3.44Å; N355-A359 PolarHBondContact O-N 3.47Å; N355-K407 HydrophobicContact CB-CB 4.28Å; N355-K407 HydrophobicContact CB-CG 4.28Å
356	N	90.9	Very high	87.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-67.9	-46	178.7	-84.6	-78.2	0	0	0	111.7	A352 E353 A358 A359 V360 F402 K407 S414 Y417	A352-N356 WeakPolarHBondContact O-CB 3.29Å; A352-N356 PolarHBondContact O-N 3.38Å; A352-N356 PolarHBondContact O-ND2 3.06Å; E353-N356 PolarHBondContact O-N 3.41Å; N356-A358 PolarHBondContact O-N 2.88Å; N356-A359 WeakPolarHBondContact O-CB 3.41Å; N356-A359 PolarHBondContact O-N 3.27Å; N356-A359 VanDerWaalsContact O-N 3.15Å; N356-V360 WeakPolarHBondContact O-CG2 3.07Å; N356-V360 PolarHBondContact O-N 2.91Å; N356-F402 WeakPolarHBondContact OD1-CZ 3.47Å; N356-K407 VanDerWaalsContact OD1-CD 3.32Å; N356-K407 WeakPolarHBondContact OD1-CD 3.49Å; N356-K407 WeakPolarHBondContact OD1-CE 3.41Å; N356-S414 WeakPolarHBondContact OD1-CA 3.4Å; N356-S414 WeakPolarHBondContact OD1-CB 3.35Å; N356-S414 PolarHBondContact OD1-OG 3.3Å; N356-Y417 HydrophobicContact CB-CD1 3.96Å; N356-Y417 HydrophobicContact CB-CD2 3.5Å; N356-Y417 HydrophobicContact CB-CE1 4.29Å; N356-Y417 HydrophobicContact CB-CE2 3.88Å; N356-Y417 HydrophobicContact CB-CG 3.55Å
357	L	90.6	Very high	88.6	Confident	78 Å²	78	49.1 Å²	49.1	41%	0.408	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-43.3	176.9	-72.6	171.8	0	0	0	111.9	E353 A359 V360 A361 Y417	E353-L357 HydrophobicContact CG-CD1 3.84Å; E353-L357 HydrophobicContact CG-CG 4.42Å; E353-L357 WeakPolarHBondContact O-CB 3.36Å; E353-L357 WeakPolarHBondContact O-CG 3.42Å; E353-L357 PolarHBondContact O-N 3.03Å; L357-A359 VanDerWaalsContact C-N 3.31Å; L357-A359 PolarHBondContact O-N 2.85Å; L357-V360 PolarHBondContact O-N 2.65Å; L357-A361 WeakPolarHBondContact O-CB 3.32Å; L357-A361 PolarHBondContact O-N 3.29Å; L357-Y417 HydrophobicContact CD2-CD1 4.09Å; L357-Y417 HydrophobicContact CD2-CE1 3.8Å; L357-Y417 HydrophobicContact CG-CD1 4.43Å; L357-Y417 HydrophobicContact CG-CE1 3.93Å
358	A	90.4	Very high	89.7	Confident	56 Å²	56	45.5 Å²	45.5	46%	0.463	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-39.7	174.7	0	0	0	0	0	112.1	A354 N356 T362	A354-A358 VanDerWaalsContact O-CB 3.29Å; A354-A358 WeakPolarHBondContact O-CB 3.34Å; A354-A358 PolarHBondContact O-N 2.88Å; N356-A358 PolarHBondContact O-N 2.88Å; A358-T362 WeakPolarHBondContact O-CB 3.31Å; A358-T362 PolarHBondContact O-N 3.42Å; A358-T362 PolarHBondContact O-OG1 3.01Å
359	A	93.9	Very high	90.5	Very high	4 Å²	4	46 Å²	46	3%	0.033	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-40.8	175.7	0	0	0	0	0	112.3	N355 N356 L357 T362 A363 F402 V405 K407	N355-A359 WeakPolarHBondContact O-CB 3.44Å; N355-A359 PolarHBondContact O-N 3.47Å; N356-A359 WeakPolarHBondContact O-CB 3.41Å; N356-A359 PolarHBondContact O-N 3.27Å; N356-A359 VanDerWaalsContact O-N 3.15Å; L357-A359 VanDerWaalsContact C-N 3.31Å; L357-A359 PolarHBondContact O-N 2.85Å; A359-T362 PolarHBondContact O-N 3.42Å; A359-A363 VanDerWaalsContact O-CB 3.31Å; A359-A363 WeakPolarHBondContact O-CB 3.34Å; A359-A363 PolarHBondContact O-N 3.33Å; A359-F402 HydrophobicContact CB-CD2 3.65Å; A359-F402 HydrophobicContact CB-CE2 3.71Å; A359-V405 HydrophobicContact CB-CB 4.21Å; A359-V405 HydrophobicContact CB-CG1 4.25Å; A359-V405 HydrophobicContact CB-CG2 4.2Å; A359-K407 HydrophobicContact CB-CD 3.96Å
360	V	95.9	Very high	91.3	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-59.5	-50.5	173.9	171.1	0	0	0	0	110	N356 L357 T362 A363 K364 F402 Y417 L421	N356-V360 WeakPolarHBondContact O-CG2 3.07Å; N356-V360 PolarHBondContact O-N 2.91Å; L357-V360 PolarHBondContact O-N 2.65Å; V360-T362 VanDerWaalsContact C-N 3.34Å; V360-T362 PolarHBondContact O-N 2.86Å; V360-A363 PolarHBondContact O-N 2.91Å; V360-K364 VanDerWaalsContact O-CB 3.27Å; V360-K364 WeakPolarHBondContact O-CB 3.33Å; V360-K364 PolarHBondContact O-N 3Å; V360-F402 HydrophobicContact CG2-CD2 4.14Å; V360-F402 HydrophobicContact CG2-CE2 3.59Å; V360-F402 HydrophobicContact CG2-CZ 4.41Å; V360-Y417 WeakPolarHBondContact CG2-O 3.44Å; V360-L421 HydrophobicContact CG1-CB 4.21Å; V360-L421 HydrophobicContact CG1-CD1 4.16Å; V360-L421 HydrophobicContact CG2-CB 4.3Å
361	A	92.9	Very high	92.1	Very high	58 Å²	58	43.3 Å²	43.3	48%	0.479	25%	0.248	S	C	.	.	H	α-helix	trans	-59.3	-44.9	179.7	0	0	0	0	0	111.9	L357 K364 D365	L357-A361 WeakPolarHBondContact O-CB 3.32Å; L357-A361 PolarHBondContact O-N 3.29Å; A361-K364 PolarHBondContact O-N 2.75Å; A361-D365 VanDerWaalsContact O-CB 3.27Å; A361-D365 WeakPolarHBondContact O-CB 3.29Å; A361-D365 PolarHBondContact O-N 2.96Å
362	T	94.2	Very high	92.7	Very high	76 Å²	76	44.7 Å²	44.7	47%	0.466	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-44.2	178.5	-55.8	0	0	0	0	111.9	A358 A359 V360 T366 L401	A358-T362 WeakPolarHBondContact O-CB 3.31Å; A358-T362 PolarHBondContact O-N 3.42Å; A358-T362 PolarHBondContact O-OG1 3.01Å; A359-T362 PolarHBondContact O-N 3.42Å; V360-T362 VanDerWaalsContact C-N 3.34Å; V360-T362 PolarHBondContact O-N 2.86Å; T362-T366 WeakPolarHBondContact O-CB 3.07Å; T362-T366 PolarHBondContact O-N 3Å; T362-T366 PolarHBondContact O-OG1 2.79Å; T362-L401 HydrophobicContact CG2-CD2 4.45Å
363	A	96.5	Very high	93.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.5	-43	179.4	0	0	0	0	0	112	A359 V360 T366 Y367 S398 F402 L421	A359-A363 VanDerWaalsContact O-CB 3.31Å; A359-A363 WeakPolarHBondContact O-CB 3.34Å; A359-A363 PolarHBondContact O-N 3.33Å; V360-A363 PolarHBondContact O-N 2.91Å; A363-T366 PolarHBondContact O-N 3.19Å; A363-Y367 PolarHBondContact O-N 2.73Å; A363-S398 WeakPolarHBondContact CB-O 3.41Å; A363-F402 HydrophobicContact CB-CB 4.08Å; A363-L421 HydrophobicContact CB-CD1 3.94Å; A363-L421 HydrophobicContact CB-CD2 3.65Å; A363-L421 HydrophobicContact CB-CG 4.47Å
364	K	96.4	Very high	93.4	Very high	64 Å²	64	50.6 Å²	50.6	28%	0.278	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-44.3	175.9	-176.2	-179.5	-176.6	176.1	0	112.2	V360 A361 T366 Y367 N368 L421 E424 L428	V360-K364 VanDerWaalsContact O-CB 3.27Å; V360-K364 WeakPolarHBondContact O-CB 3.33Å; V360-K364 PolarHBondContact O-N 3Å; A361-K364 PolarHBondContact O-N 2.75Å; K364-T366 VanDerWaalsContact C-N 3.31Å; K364-T366 PolarHBondContact O-N 3.23Å; K364-Y367 WeakPolarHBondContact O-CB 3.42Å; K364-Y367 PolarHBondContact O-N 2.94Å; K364-N368 WeakPolarHBondContact O-CB 3.45Å; K364-N368 PolarHBondContact O-N 3.35Å; K364-L421 HydrophobicContact CB-CD1 3.98Å; K364-E424 HydrophobicContact CD-CB 4.34Å; K364-E424 VanDerWaalsContact CD-OE2 3.23Å; K364-E424 WeakPolarHBondContact CD-OE2 3.15Å; K364-E424 WeakPolarHBondContact CE-OE2 3.16Å; K364-E424 IonicContact NZ-OE2 2.81Å; K364-E424 PolarHBondContact NZ-OE2 2.9Å; K364-L428 HydrophobicContact CD-CD1 4.37Å; K364-L428 HydrophobicContact CG-CD1 3.86Å
365	D	95.7	Very high	93.7	Very high	72 Å²	72	47.9 Å²	47.9	39%	0.385	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-39.5	176.4	-179.2	58.1	0	0	0	111.4	A361 N368 K369	A361-D365 VanDerWaalsContact O-CB 3.27Å; A361-D365 WeakPolarHBondContact O-CB 3.29Å; A361-D365 PolarHBondContact O-N 2.96Å; D365-N368 PolarHBondContact O-N 2.85Å; D365-K369 WeakPolarHBondContact O-CB 3.39Å; D365-K369 WeakPolarHBondContact O-CG 3.31Å; D365-K369 PolarHBondContact O-N 2.85Å; D365-K369 WeakPolarHBondContact OD1-CE 3.33Å; D365-K369 IonicContact OD1-NZ 3.81Å; D365-K369 WeakPolarHBondContact OD2-CE 3.32Å; D365-K369 IonicContact OD2-NZ 3.29Å; D365-K369 PolarHBondContact OD2-NZ 3.15Å
366	T	95.8	Very high	93.8	Very high	40 Å²	40	45.4 Å²	45.4	25%	0.245	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-44.5	174.4	-57.3	0	0	0	0	111.7	T362 A363 K364 K370 L401	T362-T366 WeakPolarHBondContact O-CB 3.07Å; T362-T366 PolarHBondContact O-N 3Å; T362-T366 PolarHBondContact O-OG1 2.79Å; A363-T366 PolarHBondContact O-N 3.19Å; K364-T366 VanDerWaalsContact C-N 3.31Å; K364-T366 PolarHBondContact O-N 3.23Å; T366-K370 WeakPolarHBondContact O-CG 3.48Å; T366-K370 PolarHBondContact O-N 3.34Å; T366-K370 VanDerWaalsContact O-N 3.15Å; T366-L401 HydrophobicContact CG2-CD2 4.22Å
367	Y	97.4	Very high	93.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-50.4	174.2	176.2	-101.7	0	0	0	111.4	A363 K364 K370 M371 H391 L394 S398 I425 L428	A363-Y367 PolarHBondContact O-N 2.73Å; K364-Y367 WeakPolarHBondContact O-CB 3.42Å; K364-Y367 PolarHBondContact O-N 2.94Å; Y367-K370 PolarHBondContact O-N 3.04Å; Y367-M371 HydrophobicContact CD1-CG 4.22Å; Y367-M371 HydrophobicContact CD2-CG 4.21Å; Y367-M371 HydrophobicContact CE1-CG 3.69Å; Y367-M371 HydrophobicContact CE2-CG 3.65Å; Y367-M371 HydrophobicContact CE2-SD 4.05Å; Y367-M371 HydrophobicContact CG-CG 4.44Å; Y367-M371 WeakPolarHBondContact O-CB 3.43Å; Y367-M371 WeakPolarHBondContact O-CG 3.16Å; Y367-M371 PolarHBondContact O-N 3.38Å; Y367-M371 WeakPolarHBondContact OH-CE 3.42Å; Y367-M371 WeakPolarHBondContact OH-CG 3.43Å; Y367-M371 PolarHBondContact OH-SD 2.98Å; Y367-M371 VanDerWaalsContact OH-SD 3.38Å; Y367-H391 AromaticContact CE2-ND1 3.82Å; Y367-H391 AromaticContact CZ-ND1 3.57Å; Y367-H391 PolarHBondContact OH-ND1 3.5Å; Y367-L394 HydrophobicContact CD2-CB 3.8Å; Y367-L394 HydrophobicContact CE2-CB 3.85Å; Y367-S398 WeakPolarHBondContact CB-OG 3.36Å; Y367-I425 HydrophobicContact CD1-CB 4.4Å; Y367-I425 HydrophobicContact CD1-CG1 4.02Å; Y367-I425 HydrophobicContact CD1-CG2 4Å; Y367-I425 HydrophobicContact CD2-CD1 4.49Å; Y367-I425 HydrophobicContact CD2-CG2 3.97Å; Y367-I425 HydrophobicContact CE1-CG2 3.82Å; Y367-I425 HydrophobicContact CE2-CG2 3.81Å; Y367-I425 HydrophobicContact CG-CD1 4.21Å; Y367-I425 HydrophobicContact CG-CG1 4.01Å; Y367-I425 HydrophobicContact CG-CG2 4.09Å; Y367-L428 HydrophobicContact CD1-CD1 4.22Å; Y367-L428 HydrophobicContact CE1-CB 4.08Å
368	N	96.1	Very high	93.2	Very high	54 Å²	54	52 Å²	52	29%	0.289	29%	0.292	S	S	.	.	H	α-helix	trans	-58.5	-52.5	-178.9	-174.3	-17.8	0	0	0	111.3	K364 D365 K370 M371 E372 Y432	K364-N368 WeakPolarHBondContact O-CB 3.45Å; K364-N368 PolarHBondContact O-N 3.35Å; D365-N368 PolarHBondContact O-N 2.85Å; N368-K370 VanDerWaalsContact C-N 3.33Å; N368-K370 PolarHBondContact O-N 3.38Å; N368-M371 PolarHBondContact O-N 3.26Å; N368-M371 VanDerWaalsContact O-N 3.09Å; N368-E372 PolarHBondContact O-N 3.43Å; N368-Y432 PolarHBondContact O-OH 3.01Å; N368-Y432 PolarHBondContact OD1-OH 2.93Å
369	K	95.6	Very high	93.1	Very high	117 Å²	117	53.8 Å²	53.8	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-54.8	-45.8	177.5	-76	172.8	175.5	163.1	0	112.8	D365 E372 E373	D365-K369 WeakPolarHBondContact O-CB 3.39Å; D365-K369 WeakPolarHBondContact O-CG 3.31Å; D365-K369 PolarHBondContact O-N 2.85Å; D365-K369 WeakPolarHBondContact OD1-CE 3.33Å; D365-K369 IonicContact OD1-NZ 3.81Å; D365-K369 WeakPolarHBondContact OD2-CE 3.32Å; D365-K369 IonicContact OD2-NZ 3.29Å; D365-K369 PolarHBondContact OD2-NZ 3.15Å; K369-E372 PolarHBondContact O-N 3.45Å; K369-E373 WeakPolarHBondContact O-CG 3.23Å; K369-E373 PolarHBondContact O-N 2.87Å; K369-E373 VanDerWaalsContact O-N 3.14Å
370	K	96.1	Very high	92.6	Very high	73 Å²	73	58.5 Å²	58.5	32%	0.317	32%	0.319	S	S	.	.	H	α-helix	trans	-69.6	-33.8	179	-70.2	-170.8	178.5	-168.4	0	112.7	T366 Y367 N368 E373 I374 L394 E397	T366-K370 WeakPolarHBondContact O-CG 3.48Å; T366-K370 PolarHBondContact O-N 3.34Å; T366-K370 VanDerWaalsContact O-N 3.15Å; Y367-K370 PolarHBondContact O-N 3.04Å; N368-K370 VanDerWaalsContact C-N 3.33Å; N368-K370 PolarHBondContact O-N 3.38Å; K370-E373 PolarHBondContact O-N 3.4Å; K370-I374 VanDerWaalsContact O-CG1 3.3Å; K370-I374 WeakPolarHBondContact O-CG1 3.4Å; K370-I374 PolarHBondContact O-N 3.31Å; K370-L394 HydrophobicContact CB-CD1 3.65Å; K370-L394 HydrophobicContact CB-CD2 3.73Å; K370-L394 HydrophobicContact CB-CG 4.29Å; K370-L394 HydrophobicContact CD-CD2 3.43Å; K370-L394 VanDerWaalsContact CD-CD2 3.43Å; K370-L394 HydrophobicContact CG-CD2 4.23Å; K370-E397 IonicContact NZ-OE2 2.69Å; K370-E397 PolarHBondContact NZ-OE2 3.14Å
371	M	94.6	Very high	92.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-68.9	-39.5	174.3	-76	-65.9	-66.5	0	0	112	Y367 N368 E373 I374 C375 L387 H391 L394 Y429 Y432	Y367-M371 HydrophobicContact CD1-CG 4.22Å; Y367-M371 HydrophobicContact CD2-CG 4.21Å; Y367-M371 HydrophobicContact CE1-CG 3.69Å; Y367-M371 HydrophobicContact CE2-CG 3.65Å; Y367-M371 HydrophobicContact CE2-SD 4.05Å; Y367-M371 HydrophobicContact CG-CG 4.44Å; Y367-M371 WeakPolarHBondContact O-CB 3.43Å; Y367-M371 WeakPolarHBondContact O-CG 3.16Å; Y367-M371 PolarHBondContact O-N 3.38Å; Y367-M371 WeakPolarHBondContact OH-CE 3.42Å; Y367-M371 WeakPolarHBondContact OH-CG 3.43Å; Y367-M371 PolarHBondContact OH-SD 2.98Å; Y367-M371 VanDerWaalsContact OH-SD 3.38Å; N368-M371 PolarHBondContact O-N 3.26Å; N368-M371 VanDerWaalsContact O-N 3.09Å; M371-E373 VanDerWaalsContact C-N 3.32Å; M371-E373 PolarHBondContact O-N 2.96Å; M371-I374 PolarHBondContact O-N 2.94Å; M371-I374 VanDerWaalsContact O-N 3.14Å; M371-C375 PolarHBondContact O-N 3.28Å; M371-C375 PolarHBondContact O-SG 2.9Å; M371-L387 HydrophobicContact CE-CD1 4.07Å; M371-H391 HydrophobicContact SD-CB 4.49Å; M371-L394 HydrophobicContact CG-CD1 3.93Å; M371-L394 HydrophobicContact SD-CD1 3.67Å; M371-Y429 HydrophobicContact CE-CD2 4.16Å; M371-Y432 HydrophobicContact CB-CD1 4.43Å; M371-Y432 HydrophobicContact CB-CD2 3.85Å; M371-Y432 HydrophobicContact CB-CE1 4.08Å; M371-Y432 HydrophobicContact CB-CE2 3.43Å; M371-Y432 VanDerWaalsContact CB-CE2 3.43Å; M371-Y432 HydrophobicContact CB-CG 4.33Å; M371-Y432 HydrophobicContact CE-CD1 4.41Å; M371-Y432 HydrophobicContact CE-CD2 3.7Å; M371-Y432 HydrophobicContact CE-CE2 4.47Å; M371-Y432 HydrophobicContact CE-CG 3.67Å; M371-Y432 HydrophobicContact CG-CD2 4.12Å; M371-Y432 HydrophobicContact CG-CE2 4.02Å
372	E	93.6	Very high	91.9	Very high	83 Å²	83	60.9 Å²	60.9	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-59.8	-40.4	172.8	-76.4	-56.5	141.9	0	0	112.1	N368 K369 I374 G376 Y432	N368-E372 PolarHBondContact O-N 3.43Å; K369-E372 PolarHBondContact O-N 3.45Å; E372-I374 PolarHBondContact O-N 3.44Å; E372-G376 WeakPolarHBondContact O-CA 3.41Å; E372-G376 PolarHBondContact O-N 3.45Å; E372-G376 WeakPolarHBondContact OE2-CA 3.42Å; E372-Y432 WeakPolarHBondContact CG-OH 3.4Å; E372-Y432 WeakPolarHBondContact OE1-CE1 3.25Å; E372-Y432 PolarHBondContact OE1-OH 2.95Å
373	E	93.2	Very high	91.6	Very high	128 Å²	128	59.2 Å²	59.2	60%	0.598	31%	0.314	S	S	*	.	H	α-helix	trans	-62.7	-25.7	176.9	-73.7	174	-170.2	0	0	113.5	K369 K370 M371 K379	K369-E373 WeakPolarHBondContact O-CG 3.23Å; K369-E373 PolarHBondContact O-N 2.87Å; K369-E373 VanDerWaalsContact O-N 3.14Å; K370-E373 PolarHBondContact O-N 3.4Å; M371-E373 VanDerWaalsContact C-N 3.32Å; M371-E373 PolarHBondContact O-N 2.96Å; E373-K379 VanDerWaalsContact O-CD 3.3Å; E373-K379 WeakPolarHBondContact O-CD 3.36Å; E373-K379 WeakPolarHBondContact O-CE 3.49Å; E373-K379 PolarHBondContact O-NZ 3.42Å; E373-K379 VanDerWaalsContact O-NZ 3.15Å
374	I	91.4	Very high	91.3	Very high	42 Å²	42	62.8 Å²	62.8	22%	0.215	34%	0.337	C	S	.	.	H	α-helix	trans	-94.4	-48.5	-176.4	-66.1	174.1	0	0	0	111.4	K370 M371 E372 K379 L382 K390 L394	K370-I374 VanDerWaalsContact O-CG1 3.3Å; K370-I374 WeakPolarHBondContact O-CG1 3.4Å; K370-I374 PolarHBondContact O-N 3.31Å; M371-I374 PolarHBondContact O-N 2.94Å; M371-I374 VanDerWaalsContact O-N 3.14Å; E372-I374 PolarHBondContact O-N 3.44Å; I374-K379 WeakPolarHBondContact O-CB 3.3Å; I374-L382 HydrophobicContact CG2-CD1 3.22Å; I374-L382 WeakPolarHBondContact O-CD1 3.35Å; I374-K390 HydrophobicContact CD1-CB 4.08Å; I374-K390 HydrophobicContact CD1-CD 4.16Å; I374-K390 HydrophobicContact CD1-CG 4.25Å; I374-K390 HydrophobicContact CG2-CG 4.47Å; I374-L394 HydrophobicContact CD1-CD1 3.62Å; I374-L394 HydrophobicContact CD1-CG 4.46Å
375	C	88.4	Confident	91	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-132.9	12.4	-170.9	67.9	0	0	0	0	114.4	M371 L382 L387 Y432 H435 K439	M371-C375 PolarHBondContact O-N 3.28Å; M371-C375 PolarHBondContact O-SG 2.9Å; C375-L382 HydrophobicContact CB-CD1 4.32Å; C375-L387 HydrophobicContact CB-CD1 3.93Å; C375-Y432 WeakPolarHBondContact SG-CD1 3.26Å; C375-H435 PolarHBondContact O-CE1 3.32Å; C375-H435 PolarHBondContact O-ND1 3.06Å; C375-H435 VanDerWaalsContact O-ND1 3.11Å; C375-K439 PolarHBondContact O-NZ 3.45Å
376	G	89.5	Confident	90.7	Very high	2 Å²	2	66.7 Å²	66.7	2%	0.021	36%	0.361	C	S	.	.	S	Bend	trans	-63.7	168.8	174.3	0	0	0	0	0	113.5	E372 D378 K379 K439	E372-G376 WeakPolarHBondContact O-CA 3.41Å; E372-G376 PolarHBondContact O-N 3.45Å; E372-G376 WeakPolarHBondContact OE2-CA 3.42Å; G376-D378 VanDerWaalsContact C-N 3.28Å; G376-D378 PolarHBondContact O-N 2.75Å; G376-K379 WeakPolarHBondContact O-CB 3.49Å; G376-K379 PolarHBondContact O-N 2.95Å; G376-K439 PolarHBondContact O-NZ 2.86Å
377	G	85.4	Confident	90.4	Very high	49 Å²	49	65 Å²	65	51%	0.505	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.9	-47.2	-166	0	0	0	0	0	115.5	K379	G377-K379 VanDerWaalsContact C-N 3.29Å; G377-K379 PolarHBondContact O-N 2.81Å
378	D	84.5	Confident	90.3	Very high	169 Å²	169	69.6 Å²	69.6	90%	0.904	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	0.7	-175.1	-55.8	-36.6	0	0	0	114.5	G376	G376-D378 VanDerWaalsContact C-N 3.28Å; G376-D378 PolarHBondContact O-N 2.75Å
379	K	87.3	Confident	90.2	Very high	92 Å²	92	70.6 Å²	70.6	40%	0.4	38%	0.384	S	S	.	.	S	Bend	trans	-96	143.6	-178	-56.8	-67	175	157	0	111.6	E373 I374 G376 G377 K439	E373-K379 VanDerWaalsContact O-CD 3.3Å; E373-K379 WeakPolarHBondContact O-CD 3.36Å; E373-K379 WeakPolarHBondContact O-CE 3.49Å; E373-K379 PolarHBondContact O-NZ 3.42Å; E373-K379 VanDerWaalsContact O-NZ 3.15Å; I374-K379 WeakPolarHBondContact O-CB 3.3Å; G376-K379 WeakPolarHBondContact O-CB 3.49Å; G376-K379 PolarHBondContact O-N 2.95Å; G377-K379 VanDerWaalsContact C-N 3.29Å; G377-K379 PolarHBondContact O-N 2.81Å; K379-K439 WeakPolarHBondContact O-CD 3.49Å; K379-K439 PolarHBondContact O-NZ 3.28Å
380	P	84.7	Confident	90.1	Very high	103 Å²	103	69.4 Å²	69.4	67%	0.669	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-64.4	162.1	179.4	28.6	-35.2	0	0	0	112	L382	P380-L382 PolarHBondContact O-N 2.93Å
381	F	87	Confident	90.1	Very high	70 Å²	70	66.3 Å²	66.3	31%	0.307	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-57.1	133.3	172.8	172.3	-99.4	0	0	0	111	N436 K439 N440	F381-N436 WeakPolarHBondContact CD2-O 3.31Å; F381-N436 WeakPolarHBondContact CE2-ND2 3.36Å; F381-K439 HydrophobicContact CB-CB 4.18Å; F381-N440 HydrophobicContact CD2-CB 3.96Å; F381-N440 HydrophobicContact CE2-CB 3.84Å; F381-N440 HydrophobicContact CZ-CB 4.34Å
382	L	86.6	Confident	90.2	Very high	45 Å²	45	70.9 Å²	70.9	24%	0.236	39%	0.389	C	S	.	.			trans	-106.3	142.6	171.4	-81.5	160.6	0	0	0	110.8	I374 C375 P380 L387 N436	I374-L382 HydrophobicContact CG2-CD1 3.22Å; I374-L382 WeakPolarHBondContact O-CD1 3.35Å; C375-L382 HydrophobicContact CB-CD1 4.32Å; P380-L382 PolarHBondContact O-N 2.93Å; L382-L387 HydrophobicContact CB-CB 4.43Å; L382-N436 PolarHBondContact N-OD1 3.2Å; L382-N436 PolarHBondContact O-ND2 3.48Å
383	A	88.4	Confident	90.3	Very high	40 Å²	40	71.4 Å²	71.4	33%	0.331	39%	0.391	S	S	.	.			trans	-61.8	143.1	174.2	0	0	0	0	0	110.3	N385 D386 L387	A383-N385 VanDerWaalsContact C-N 3.26Å; A383-N385 PolarHBondContact O-N 2.96Å; A383-N385 VanDerWaalsContact O-N 3.17Å; A383-D386 PolarHBondContact O-N 2.91Å; A383-L387 PolarHBondContact O-N 3.48Å
384	P	89.1	Confident	90.5	Very high	75 Å²	75	65.8 Å²	65.8	49%	0.487	37%	0.365	S	S	.	.	H	α-helix	trans	-54.6	-38.4	-176.8	-29.5	35.9	0	0	0	114.1	L387 Q388	P384-L387 PolarHBondContact O-N 2.92Å; P384-Q388 WeakPolarHBondContact O-CB 3.31Å; P384-Q388 PolarHBondContact O-N 3.24Å
385	N	90.4	Very high	90.7	Very high	126 Å²	126	65.5 Å²	65.5	67%	0.674	36%	0.362	S	S	*	.	H	α-helix	trans	-65.5	-41.1	177.8	-66.9	-11.9	0	0	0	112.2	A383 Q388 S389	A383-N385 VanDerWaalsContact C-N 3.26Å; A383-N385 PolarHBondContact O-N 2.96Å; A383-N385 VanDerWaalsContact O-N 3.17Å; N385-Q388 PolarHBondContact O-N 2.97Å; N385-S389 WeakPolarHBondContact O-CB 3.25Å; N385-S389 PolarHBondContact O-N 2.83Å
386	D	89.1	Confident	91.1	Very high	93 Å²	93	70.8 Å²	70.8	50%	0.497	39%	0.387	S	S	.	.	H	α-helix	trans	-69.8	-41.6	178.7	-64.3	-26.6	0	0	0	110.5	A383 Q388 S389 K390	A383-D386 PolarHBondContact O-N 2.91Å; D386-Q388 PolarHBondContact O-N 2.91Å; D386-S389 PolarHBondContact O-N 3.5Å; D386-K390 WeakPolarHBondContact O-CG 3.3Å; D386-K390 PolarHBondContact O-N 3.46Å
387	L	90.9	Very high	91.5	Very high	3 Å²	3	74 Å²	74	2%	0.016	40%	0.402	C	S	.	.	H	α-helix	trans	-61.5	-43.6	175.7	-175.8	66.4	0	0	0	111.3	M371 C375 L382 A383 P384 K390 H391 Y429 I433 N436	M371-L387 HydrophobicContact CE-CD1 4.07Å; C375-L387 HydrophobicContact CB-CD1 3.93Å; L382-L387 HydrophobicContact CB-CB 4.43Å; A383-L387 PolarHBondContact O-N 3.48Å; P384-L387 PolarHBondContact O-N 2.92Å; L387-K390 PolarHBondContact O-N 3.09Å; L387-H391 WeakPolarHBondContact O-CB 3.15Å; L387-H391 PolarHBondContact O-N 3.49Å; L387-Y429 HydrophobicContact CD2-CE2 4.43Å; L387-Y429 HydrophobicContact CG-CE2 4.16Å; L387-I433 HydrophobicContact CD2-CG1 4.29Å; L387-N436 HydrophobicContact CD2-CB 3.89Å
388	Q	93.8	Very high	92	Very high	98 Å²	98	71.7 Å²	71.7	46%	0.458	38%	0.378	S	S	.	.	H	α-helix	trans	-63.3	-44.8	175.7	-171.2	-180	14.2	0	0	111.9	P384 N385 D386 K390 H391 L392 Y429	P384-Q388 WeakPolarHBondContact O-CB 3.31Å; P384-Q388 PolarHBondContact O-N 3.24Å; N385-Q388 PolarHBondContact O-N 2.97Å; D386-Q388 PolarHBondContact O-N 2.91Å; Q388-K390 VanDerWaalsContact C-N 3.3Å; Q388-K390 PolarHBondContact O-N 2.79Å; Q388-H391 PolarHBondContact O-N 2.89Å; Q388-L392 HydrophobicContact CG-CD1 4.48Å; Q388-L392 WeakPolarHBondContact O-CG 3.49Å; Q388-L392 PolarHBondContact O-N 2.83Å; Q388-Y429 VanDerWaalsContact CA-OH 3.26Å; Q388-Y429 WeakPolarHBondContact CA-OH 3.5Å; Q388-Y429 WeakPolarHBondContact CB-OH 3.38Å
389	S	94.4	Very high	92.6	Very high	75 Å²	75	63.7 Å²	63.7	52%	0.524	34%	0.335	S	S	.	.	H	α-helix	trans	-60.5	-40.7	176.6	-174.8	0	0	0	0	111.8	N385 D386 Q393	N385-S389 WeakPolarHBondContact O-CB 3.25Å; N385-S389 PolarHBondContact O-N 2.83Å; D386-S389 PolarHBondContact O-N 3.5Å; S389-Q393 PolarHBondContact O-N 3.22Å
390	K	94.1	Very high	93	Very high	92 Å²	92	66.6 Å²	66.6	40%	0.4	35%	0.348	S	S	.	.	H	α-helix	trans	-67.9	-43.2	175.7	-71	-64	-178.1	-175.5	0	112.1	I374 D386 L387 Q388 L392 Q393 L394	I374-K390 HydrophobicContact CD1-CB 4.08Å; I374-K390 HydrophobicContact CD1-CD 4.16Å; I374-K390 HydrophobicContact CD1-CG 4.25Å; I374-K390 HydrophobicContact CG2-CG 4.47Å; D386-K390 WeakPolarHBondContact O-CG 3.3Å; D386-K390 PolarHBondContact O-N 3.46Å; L387-K390 PolarHBondContact O-N 3.09Å; Q388-K390 VanDerWaalsContact C-N 3.3Å; Q388-K390 PolarHBondContact O-N 2.79Å; K390-L392 PolarHBondContact O-N 3.29Å; K390-Q393 PolarHBondContact O-N 2.77Å; K390-L394 WeakPolarHBondContact O-CB 3.23Å; K390-L394 VanDerWaalsContact O-CG 3.27Å; K390-L394 WeakPolarHBondContact O-CG 3.34Å; K390-L394 PolarHBondContact O-N 3.1Å
391	H	95.7	Very high	93.5	Very high	7 Å²	7	65.1 Å²	65.1	3%	0.032	33%	0.334	C	S	.	.	H	α-helix	trans	-56.4	-49.8	174.9	157.1	76.7	0	0	0	111.6	Y367 M371 L387 Q388 Q393 L394 K395 D426 Y429	Y367-H391 AromaticContact CE2-ND1 3.82Å; Y367-H391 AromaticContact CZ-ND1 3.57Å; Y367-H391 PolarHBondContact OH-ND1 3.5Å; M371-H391 HydrophobicContact SD-CB 4.49Å; L387-H391 WeakPolarHBondContact O-CB 3.15Å; L387-H391 PolarHBondContact O-N 3.49Å; Q388-H391 PolarHBondContact O-N 2.89Å; H391-Q393 VanDerWaalsContact C-N 3.32Å; H391-Q393 PolarHBondContact O-N 2.82Å; H391-L394 PolarHBondContact O-N 2.91Å; H391-K395 VanDerWaalsContact O-CB 3.25Å; H391-K395 WeakPolarHBondContact O-CB 3.4Å; H391-K395 PolarHBondContact O-N 3.44Å; H391-D426 IonicContact CE1-OD1 3.69Å; H391-D426 IonicContact NE2-OD1 2.64Å; H391-Y429 HydrophobicContact CB-CD2 3.53Å; H391-Y429 HydrophobicContact CB-CE2 3.42Å; H391-Y429 VanDerWaalsContact CB-CE2 3.42Å; H391-Y429 HydrophobicContact CB-CG 4.16Å; H391-Y429 AromaticContact CD2-CD1 3.74Å; H391-Y429 AromaticContact CD2-CE1 3.81Å; H391-Y429 AromaticContact CD2-CG 3.93Å; H391-Y429 AromaticContact CE1-CD1 3.79Å; H391-Y429 AromaticContact CE1-CG 3.59Å; H391-Y429 AromaticContact CG-CD1 3.84Å; H391-Y429 AromaticContact CG-CD2 3.44Å; H391-Y429 VanDerWaalsContact CG-CD2 3.44Å; H391-Y429 AromaticContact CG-CE2 3.68Å; H391-Y429 AromaticContact CG-CG 3.53Å; H391-Y429 AromaticContact CG-CZ 3.99Å; H391-Y429 WeakPolarHBondContact ND1-CB 3.39Å; H391-Y429 AromaticContact ND1-CD1 3.87Å; H391-Y429 AromaticContact ND1-CD2 3.53Å; H391-Y429 AromaticContact ND1-CG 3.31Å; H391-Y429 VanDerWaalsContact ND1-CG 3.31Å; H391-Y429 AromaticContact NE2-CD1 3.74Å; H391-Y429 AromaticContact NE2-CG 3.99Å
392	L	96.3	Very high	93.9	Very high	97 Å²	97	62 Å²	62	51%	0.508	32%	0.32	S	S	.	.	H	α-helix	trans	-60.9	-41.9	-179.7	-70.6	174.7	0	0	0	111.9	Q388 K390 E396	Q388-L392 HydrophobicContact CG-CD1 4.48Å; Q388-L392 WeakPolarHBondContact O-CG 3.49Å; Q388-L392 PolarHBondContact O-N 2.83Å; K390-L392 PolarHBondContact O-N 3.29Å; L392-E396 WeakPolarHBondContact O-CB 3.19Å; L392-E396 PolarHBondContact O-N 2.94Å
393	Q	96.6	Very high	94.2	Very high	94 Å²	94	66.4 Å²	66.4	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-49.8	175.4	-175.3	-173.5	-10.4	0	0	111.4	S389 K390 H391 K395 E396 E397	S389-Q393 PolarHBondContact O-N 3.22Å; K390-Q393 PolarHBondContact O-N 2.77Å; H391-Q393 VanDerWaalsContact C-N 3.32Å; H391-Q393 PolarHBondContact O-N 2.82Å; Q393-K395 PolarHBondContact O-N 2.9Å; Q393-E396 PolarHBondContact O-N 2.78Å; Q393-E397 PolarHBondContact NE2-OE1 3.39Å; Q393-E397 WeakPolarHBondContact O-CG 3.48Å; Q393-E397 PolarHBondContact O-N 2.93Å
394	L	96.5	Very high	94.4	Very high	10 Å²	10	67.4 Å²	67.4	5%	0.052	35%	0.348	C	S	.	.	H	α-helix	trans	-68.6	-34	-178.2	-68	-175.6	0	0	0	112.9	Y367 K370 M371 I374 K390 H391 E397 S398	Y367-L394 HydrophobicContact CD2-CB 3.8Å; Y367-L394 HydrophobicContact CE2-CB 3.85Å; K370-L394 HydrophobicContact CB-CD1 3.65Å; K370-L394 HydrophobicContact CB-CD2 3.73Å; K370-L394 HydrophobicContact CB-CG 4.29Å; K370-L394 HydrophobicContact CD-CD2 3.43Å; K370-L394 VanDerWaalsContact CD-CD2 3.43Å; K370-L394 HydrophobicContact CG-CD2 4.23Å; M371-L394 HydrophobicContact CG-CD1 3.93Å; M371-L394 HydrophobicContact SD-CD1 3.67Å; I374-L394 HydrophobicContact CD1-CD1 3.62Å; I374-L394 HydrophobicContact CD1-CG 4.46Å; K390-L394 WeakPolarHBondContact O-CB 3.23Å; K390-L394 VanDerWaalsContact O-CG 3.27Å; K390-L394 WeakPolarHBondContact O-CG 3.34Å; K390-L394 PolarHBondContact O-N 3.1Å; H391-L394 PolarHBondContact O-N 2.91Å; L394-E397 PolarHBondContact O-N 2.86Å; L394-S398 WeakPolarHBondContact O-CB 3.45Å; L394-S398 PolarHBondContact O-N 2.64Å; L394-S398 PolarHBondContact O-OG 3.02Å
395	K	96.9	Very high	94.5	Very high	35 Å²	35	66.6 Å²	66.6	15%	0.152	34%	0.341	C	S	.	.	H	α-helix	trans	-61.7	-50	172.7	-179.1	175.1	-176	176.3	0	110	H391 Q393 E397 S398 V399 I425 D426	H391-K395 VanDerWaalsContact O-CB 3.25Å; H391-K395 WeakPolarHBondContact O-CB 3.4Å; H391-K395 PolarHBondContact O-N 3.44Å; Q393-K395 PolarHBondContact O-N 2.9Å; K395-E397 VanDerWaalsContact C-N 3.34Å; K395-E397 PolarHBondContact O-N 3.29Å; K395-S398 PolarHBondContact O-N 2.76Å; K395-S398 VanDerWaalsContact O-N 3.14Å; K395-V399 WeakPolarHBondContact O-CG2 3.46Å; K395-V399 PolarHBondContact O-N 3.45Å; K395-I425 HydrophobicContact CB-CG2 4.1Å; K395-I425 HydrophobicContact CD-CG2 4.09Å; K395-I425 HydrophobicContact CG-CG2 3.88Å; K395-D426 WeakPolarHBondContact CE-OD1 3.42Å; K395-D426 IonicContact NZ-OD1 3.19Å; K395-D426 PolarHBondContact NZ-OD1 2.64Å; K395-D426 IonicContact NZ-OD2 2.86Å; K395-D426 PolarHBondContact NZ-OD2 2.56Å
396	E	96.8	Very high	94.5	Very high	112 Å²	112	70.2 Å²	70.2	52%	0.523	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-40.4	178.2	-173.4	59.7	-154.6	0	0	112	L392 Q393 S398 V399 K400	L392-E396 WeakPolarHBondContact O-CB 3.19Å; L392-E396 PolarHBondContact O-N 2.94Å; Q393-E396 PolarHBondContact O-N 2.78Å; E396-S398 VanDerWaalsContact C-N 3.31Å; E396-S398 PolarHBondContact O-N 2.78Å; E396-V399 PolarHBondContact O-N 3.33Å; E396-K400 VanDerWaalsContact O-CB 3.26Å; E396-K400 WeakPolarHBondContact O-CB 3.49Å; E396-K400 PolarHBondContact O-N 3.05Å
397	E	96.1	Very high	94.4	Very high	68 Å²	68	67.7 Å²	67.7	32%	0.318	34%	0.336	S	S	.	.	H	α-helix	trans	-61.1	-40	174.3	-74.1	176.9	-161.2	0	0	112.2	K370 Q393 L394 K395 K400 L401	K370-E397 IonicContact NZ-OE2 2.69Å; K370-E397 PolarHBondContact NZ-OE2 3.14Å; Q393-E397 PolarHBondContact NE2-OE1 3.39Å; Q393-E397 WeakPolarHBondContact O-CG 3.48Å; Q393-E397 PolarHBondContact O-N 2.93Å; L394-E397 PolarHBondContact O-N 2.86Å; K395-E397 VanDerWaalsContact C-N 3.34Å; K395-E397 PolarHBondContact O-N 3.29Å; E397-K400 PolarHBondContact O-N 2.75Å; E397-L401 WeakPolarHBondContact O-CB 3.45Å; E397-L401 PolarHBondContact O-N 2.89Å
398	S	96.7	Very high	93.9	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.007	36%	0.358	C	S	.	.	H	α-helix	trans	-72.2	-39.5	179.2	-55.6	0	0	0	0	111.8	A363 Y367 L394 K395 E396 L401 F402	A363-S398 WeakPolarHBondContact CB-O 3.41Å; Y367-S398 WeakPolarHBondContact CB-OG 3.36Å; L394-S398 WeakPolarHBondContact O-CB 3.45Å; L394-S398 PolarHBondContact O-N 2.64Å; L394-S398 PolarHBondContact O-OG 3.02Å; K395-S398 PolarHBondContact O-N 2.76Å; K395-S398 VanDerWaalsContact O-N 3.14Å; E396-S398 VanDerWaalsContact C-N 3.31Å; E396-S398 PolarHBondContact O-N 2.78Å; S398-L401 WeakPolarHBondContact O-CB 3.43Å; S398-L401 PolarHBondContact O-N 3.43Å; S398-F402 PolarHBondContact O-N 2.7Å
399	V	96.3	Very high	93.2	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.012	36%	0.356	C	S	.	.	H	α-helix	trans	-62.4	-43.7	171.9	165.8	0	0	0	0	110.8	K395 E396 L401 F402 R403 L418 E422	K395-V399 WeakPolarHBondContact O-CG2 3.46Å; K395-V399 PolarHBondContact O-N 3.45Å; E396-V399 PolarHBondContact O-N 3.33Å; V399-L401 VanDerWaalsContact C-N 3.35Å; V399-L401 PolarHBondContact O-N 3.02Å; V399-F402 PolarHBondContact O-N 2.84Å; V399-R403 WeakPolarHBondContact O-CG 3.39Å; V399-R403 PolarHBondContact O-N 3.18Å; V399-L418 HydrophobicContact CB-CD1 4.43Å; V399-L418 HydrophobicContact CG1-CD1 3.86Å; V399-L418 HydrophobicContact CG2-CD1 4.15Å; V399-E422 HydrophobicContact CG2-CG 3.94Å
400	K	95.9	Very high	92.9	Very high	152 Å²	152	67.8 Å²	67.8	66%	0.661	35%	0.352	S	S	*	.	H	α-helix	trans	-63.6	-41	176.1	-172.7	178.2	-179.2	180	0	111.7	E396 E397 R403 G404	E396-K400 VanDerWaalsContact O-CB 3.26Å; E396-K400 WeakPolarHBondContact O-CB 3.49Å; E396-K400 PolarHBondContact O-N 3.05Å; E397-K400 PolarHBondContact O-N 2.75Å; K400-R403 PolarHBondContact O-N 3.14Å; K400-G404 PolarHBondContact O-N 2.86Å
401	L	95.2	Very high	92.4	Very high	73 Å²	73	71.2 Å²	71.2	38%	0.382	37%	0.369	S	S	.	.	H	α-helix	trans	-59.3	-50.6	173.6	-178.4	66.3	0	0	0	110.4	T362 T366 E397 S398 V399 R403 G404 V405	T362-L401 HydrophobicContact CG2-CD2 4.45Å; T366-L401 HydrophobicContact CG2-CD2 4.22Å; E397-L401 WeakPolarHBondContact O-CB 3.45Å; E397-L401 PolarHBondContact O-N 2.89Å; S398-L401 WeakPolarHBondContact O-CB 3.43Å; S398-L401 PolarHBondContact O-N 3.43Å; V399-L401 VanDerWaalsContact C-N 3.35Å; V399-L401 PolarHBondContact O-N 3.02Å; L401-R403 PolarHBondContact O-N 2.94Å; L401-G404 PolarHBondContact O-N 3.24Å; L401-G404 VanDerWaalsContact O-N 3.13Å; L401-V405 WeakPolarHBondContact O-CG2 3.39Å; L401-V405 PolarHBondContact O-N 3.05Å
402	F	95.8	Very high	92.1	Very high	3 Å²	3	78.9 Å²	78.9	1%	0.013	41%	0.405	C	S	.	.	H	α-helix	trans	-55.8	-48.1	177.3	176.4	-91.8	0	0	0	112.1	N356 A359 V360 A363 S398 V399 G404 V405 K407 L418 L421	N356-F402 WeakPolarHBondContact OD1-CZ 3.47Å; A359-F402 HydrophobicContact CB-CD2 3.65Å; A359-F402 HydrophobicContact CB-CE2 3.71Å; V360-F402 HydrophobicContact CG2-CD2 4.14Å; V360-F402 HydrophobicContact CG2-CE2 3.59Å; V360-F402 HydrophobicContact CG2-CZ 4.41Å; A363-F402 HydrophobicContact CB-CB 4.08Å; S398-F402 PolarHBondContact O-N 2.7Å; V399-F402 PolarHBondContact O-N 2.84Å; F402-G404 VanDerWaalsContact C-N 3.31Å; F402-G404 PolarHBondContact O-N 3.42Å; F402-V405 PolarHBondContact O-N 2.77Å; F402-K407 HydrophobicContact CE2-CD 4.48Å; F402-K407 HydrophobicContact CZ-CD 4.36Å; F402-K407 PolarHBondContact O-NZ 2.93Å; F402-L418 HydrophobicContact CD1-CB 4.23Å; F402-L418 HydrophobicContact CD1-CD1 3.83Å; F402-L418 HydrophobicContact CE1-CB 3.8Å; F402-L418 HydrophobicContact CE1-CD1 4.29Å; F402-L421 HydrophobicContact CB-CD2 3.62Å; F402-L421 HydrophobicContact CD2-CD2 4.03Å; F402-L421 HydrophobicContact CG-CD2 3.84Å
403	R	93.3	Very high	91.6	Very high	138 Å²	138	77.2 Å²	77.2	52%	0.521	39%	0.394	S	S	.	.	H	α-helix	trans	-64.3	-34.7	178.1	-71.6	-179.3	-175.7	165.8	5	112.4	V399 K400 L401 V405	V399-R403 WeakPolarHBondContact O-CG 3.39Å; V399-R403 PolarHBondContact O-N 3.18Å; K400-R403 PolarHBondContact O-N 3.14Å; L401-R403 PolarHBondContact O-N 2.94Å; R403-V405 VanDerWaalsContact C-N 3.32Å; R403-V405 PolarHBondContact O-N 2.82Å
404	G	91.8	Very high	91.3	Very high	61 Å²	61	73.3 Å²	73.3	63%	0.629	38%	0.376	S	S	*	.	H	α-helix	trans	-70.3	-21.8	179.3	0	0	0	0	0	114.8	K400 L401 F402 K406	K400-G404 PolarHBondContact O-N 2.86Å; L401-G404 PolarHBondContact O-N 3.24Å; L401-G404 VanDerWaalsContact O-N 3.13Å; F402-G404 VanDerWaalsContact C-N 3.31Å; F402-G404 PolarHBondContact O-N 3.42Å; G404-K406 PolarHBondContact O-N 3.13Å
405	V	92.1	Very high	91.2	Very high	58 Å²	58	80.4 Å²	80.4	35%	0.352	40%	0.403	S	S	.	.	S	Bend	trans	-68.4	127.2	175.1	-176.7	0	0	0	0	109.8	A359 L401 F402 R403 K407	A359-V405 HydrophobicContact CB-CB 4.21Å; A359-V405 HydrophobicContact CB-CG1 4.25Å; A359-V405 HydrophobicContact CB-CG2 4.2Å; L401-V405 WeakPolarHBondContact O-CG2 3.39Å; L401-V405 PolarHBondContact O-N 3.05Å; F402-V405 PolarHBondContact O-N 2.77Å; R403-V405 VanDerWaalsContact C-N 3.32Å; R403-V405 PolarHBondContact O-N 2.82Å; V405-K407 HydrophobicContact CB-CG 4.35Å; V405-K407 HydrophobicContact CG1-CG 4.01Å; V405-K407 WeakPolarHBondContact O-CG 3.43Å; V405-K407 PolarHBondContact O-N 2.84Å; V405-K407 PolarHBondContact O-NZ 2.89Å
406	K	89.6	Confident	91	Very high	202 Å²	202	87.7 Å²	87.7	88%	0.878	43%	0.429	S	S	*	.			trans	-70.6	123.3	171.3	-67.3	-176.3	178.9	-179.1	0	109.4	G404	G404-K406 PolarHBondContact O-N 3.13Å
407	K	87.3	Confident	90.9	Very high	40 Å²	40	83.2 Å²	83.2	17%	0.174	41%	0.408	C	S	.	.			trans	-133.2	146.9	-174.2	-61.5	174.5	-63.8	-70.7	0	110	N355 N356 A359 F402 V405 S414	N355-K407 HydrophobicContact CB-CB 4.28Å; N355-K407 HydrophobicContact CB-CG 4.28Å; N356-K407 VanDerWaalsContact OD1-CD 3.32Å; N356-K407 WeakPolarHBondContact OD1-CD 3.49Å; N356-K407 WeakPolarHBondContact OD1-CE 3.41Å; A359-K407 HydrophobicContact CB-CD 3.96Å; F402-K407 HydrophobicContact CE2-CD 4.48Å; F402-K407 HydrophobicContact CZ-CD 4.36Å; F402-K407 PolarHBondContact O-NZ 2.93Å; V405-K407 HydrophobicContact CB-CG 4.35Å; V405-K407 HydrophobicContact CG1-CG 4.01Å; V405-K407 WeakPolarHBondContact O-CG 3.43Å; V405-K407 PolarHBondContact O-N 2.84Å; V405-K407 PolarHBondContact O-NZ 2.89Å; K407-S414 WeakPolarHBondContact CE-OG 3.12Å
408	M	80.5	Confident	90.9	Very high	96 Å²	96	81 Å²	81	47%	0.473	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	158.7	169.7	-64.2	-157.6	-177.4	0	0	111.5	L348 T351 A352	L348-M408 HydrophobicContact CD1-CB 4.24Å; L348-M408 HydrophobicContact CD1-SD 4.05Å; T351-M408 HydrophobicContact CG2-CE 4.22Å; T351-M408 HydrophobicContact CG2-CG 4.21Å; T351-M408 HydrophobicContact CG2-SD 3.7Å; A352-M408 HydrophobicContact CB-CB 4.12Å; A352-M408 VanDerWaalsContact CB-O 3.24Å; A352-M408 WeakPolarHBondContact CB-O 3.19Å
409	G	80.3	Confident	90.8	Very high	41 Å²	41	86.4 Å²	86.4	42%	0.423	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-8.3	177.4	0	0	0	0	0	115.9	F413	G409-F413 VanDerWaalsContact O-CB 3.28Å; G409-F413 WeakPolarHBondContact O-CB 3.37Å
410	G	86.7	Confident	90.8	Very high	42 Å²	42	89.7 Å²	89.7	43%	0.433	44%	0.438	S	S	.	.	H	α-helix	trans	79.5	179.8	177.1	0	0	0	0	0	114.4	S414	G410-S414 PolarHBondContact O-N 3.36Å; G410-S414 PolarHBondContact O-OG 3.09Å
411	E	85.1	Confident	90.8	Very high	163 Å²	163	82.4 Å²	82.4	76%	0.762	41%	0.406	S	S	*	.	H	α-helix	trans	-68.9	-37.8	-176.3	-166.8	-171.2	-174.3	0	0	112.1	F413 S414 R415	E411-F413 PolarHBondContact O-N 3.38Å; E411-S414 CarbonylContact O-C 3.57Å; E411-S414 WeakPolarHBondContact O-CA 3.35Å; E411-S414 WeakPolarHBondContact O-CB 3.4Å; E411-S414 PolarHBondContact O-N 3.46Å; E411-R415 PolarHBondContact O-N 3.37Å
412	E	87.5	Confident	90.9	Very high	169 Å²	169	81.8 Å²	81.8	79%	0.79	40%	0.401	S	S	*	.	H	α-helix	trans	-61.4	-44.6	-178.7	-170.1	172.6	-165.7	0	0	111.9	S414 R415	E412-S414 VanDerWaalsContact C-N 3.3Å; E412-S414 PolarHBondContact O-N 3.19Å; E412-R415 WeakPolarHBondContact O-CB 3.23Å; E412-R415 PolarHBondContact O-N 3.47Å
413	F	86.6	Confident	91	Very high	62 Å²	62	84.6 Å²	84.6	27%	0.272	42%	0.421	S	S	.	.	H	α-helix	trans	-63.7	-37.6	173.1	-169.3	-90.3	0	0	0	111.8	Q349 A352 E353 G409 E411 R415 Y417	Q349-F413 HydrophobicContact CG-CE2 4.26Å; Q349-F413 HydrophobicContact CG-CZ 4.34Å; A352-F413 HydrophobicContact CB-CD1 3.89Å; A352-F413 HydrophobicContact CB-CE1 3.61Å; A352-F413 HydrophobicContact CB-CZ 4.12Å; E353-F413 HydrophobicContact CB-CE1 4.44Å; E353-F413 HydrophobicContact CB-CZ 4.37Å; G409-F413 VanDerWaalsContact O-CB 3.28Å; G409-F413 WeakPolarHBondContact O-CB 3.37Å; E411-F413 PolarHBondContact O-N 3.38Å; F413-R415 VanDerWaalsContact C-N 3.27Å; F413-R415 PolarHBondContact O-N 3.41Å; F413-Y417 AromaticContact CD1-CE2 3.96Å; F413-Y417 HydrophobicContact CD1-CE2 3.96Å; F413-Y417 HydrophobicContact CE1-CD2 4.46Å; F413-Y417 AromaticContact CE1-CE2 3.54Å; F413-Y417 HydrophobicContact CE1-CE2 3.54Å; F413-Y417 HydrophobicContact CZ-CE2 4.21Å; F413-Y417 WeakPolarHBondContact O-CD2 3.33Å
414	S	91.3	Very high	91.1	Very high	11 Å²	11	79.9 Å²	79.9	8%	0.077	41%	0.406	C	S	.	.	H	α-helix	trans	-70.5	-20.2	179.5	-54.5	0	0	0	0	113.3	N356 K407 G410 E411 E412 R416 Y417 L418	N356-S414 WeakPolarHBondContact OD1-CA 3.4Å; N356-S414 WeakPolarHBondContact OD1-CB 3.35Å; N356-S414 PolarHBondContact OD1-OG 3.3Å; K407-S414 WeakPolarHBondContact CE-OG 3.12Å; G410-S414 PolarHBondContact O-N 3.36Å; G410-S414 PolarHBondContact O-OG 3.09Å; E411-S414 CarbonylContact O-C 3.57Å; E411-S414 WeakPolarHBondContact O-CA 3.35Å; E411-S414 WeakPolarHBondContact O-CB 3.4Å; E411-S414 PolarHBondContact O-N 3.46Å; E412-S414 VanDerWaalsContact C-N 3.3Å; E412-S414 PolarHBondContact O-N 3.19Å; S414-R416 VanDerWaalsContact C-N 3.34Å; S414-R416 PolarHBondContact O-N 2.56Å; S414-Y417 PolarHBondContact O-N 2.86Å; S414-L418 PolarHBondContact O-N 2.76Å
415	R	92.8	Very high	91.4	Very high	160 Å²	160	77 Å²	77	60%	0.604	38%	0.376	S	S	*	.	H	α-helix	trans	-59.9	-40.5	-175.9	-166.6	179.3	78.6	176.7	1.6	112.8	E411 E412 F413 Y417 L418 Q419	E411-R415 PolarHBondContact O-N 3.37Å; E412-R415 WeakPolarHBondContact O-CB 3.23Å; E412-R415 PolarHBondContact O-N 3.47Å; F413-R415 VanDerWaalsContact C-N 3.27Å; F413-R415 PolarHBondContact O-N 3.41Å; R415-Y417 PolarHBondContact O-N 3.28Å; R415-L418 PolarHBondContact O-N 3.44Å; R415-Q419 WeakPolarHBondContact O-CG 3.08Å; R415-Q419 PolarHBondContact O-N 3.03Å
416	R	93.9	Very high	91.6	Very high	188 Å²	188	77 Å²	77	71%	0.709	37%	0.374	S	S	*	.	H	α-helix	trans	-61.8	-43.6	177.6	-179.9	-178.9	175.3	179.4	-1	111.5	S414 Q419 Q420	S414-R416 VanDerWaalsContact C-N 3.34Å; S414-R416 PolarHBondContact O-N 2.56Å; R416-Q419 PolarHBondContact O-N 2.9Å; R416-Q420 PolarHBondContact O-N 3.21Å
417	Y	94.9	Very high	91.9	Very high	18 Å²	18	72.7 Å²	72.7	7%	0.071	36%	0.357	C	S	.	.	H	α-helix	trans	-72.2	-31.7	179.6	-63.6	-82.8	0	0	0	112.3	E353 N356 L357 V360 F413 S414 R415 Q420 L421	E353-Y417 VanDerWaalsContact CG-OH 3.26Å; E353-Y417 WeakPolarHBondContact CG-OH 3.37Å; N356-Y417 HydrophobicContact CB-CD1 3.96Å; N356-Y417 HydrophobicContact CB-CD2 3.5Å; N356-Y417 HydrophobicContact CB-CE1 4.29Å; N356-Y417 HydrophobicContact CB-CE2 3.88Å; N356-Y417 HydrophobicContact CB-CG 3.55Å; L357-Y417 HydrophobicContact CD2-CD1 4.09Å; L357-Y417 HydrophobicContact CD2-CE1 3.8Å; L357-Y417 HydrophobicContact CG-CD1 4.43Å; L357-Y417 HydrophobicContact CG-CE1 3.93Å; V360-Y417 WeakPolarHBondContact CG2-O 3.44Å; F413-Y417 AromaticContact CD1-CE2 3.96Å; F413-Y417 HydrophobicContact CD1-CE2 3.96Å; F413-Y417 HydrophobicContact CE1-CD2 4.46Å; F413-Y417 AromaticContact CE1-CE2 3.54Å; F413-Y417 HydrophobicContact CE1-CE2 3.54Å; F413-Y417 HydrophobicContact CZ-CE2 4.21Å; F413-Y417 WeakPolarHBondContact O-CD2 3.33Å; S414-Y417 PolarHBondContact O-N 2.86Å; R415-Y417 PolarHBondContact O-N 3.28Å; Y417-Q420 PolarHBondContact O-N 2.9Å; Y417-L421 WeakPolarHBondContact O-CB 3.32Å; Y417-L421 PolarHBondContact O-N 3.31Å
418	L	95	Very high	92.2	Very high	22 Å²	22	71.8 Å²	71.8	12%	0.115	35%	0.353	C	S	.	.	H	α-helix	trans	-64	-45.9	171.6	178	60.9	0	0	0	111.5	V399 F402 S414 R415 Q420 L421 E422	V399-L418 HydrophobicContact CB-CD1 4.43Å; V399-L418 HydrophobicContact CG1-CD1 3.86Å; V399-L418 HydrophobicContact CG2-CD1 4.15Å; F402-L418 HydrophobicContact CD1-CB 4.23Å; F402-L418 HydrophobicContact CD1-CD1 3.83Å; F402-L418 HydrophobicContact CE1-CB 3.8Å; F402-L418 HydrophobicContact CE1-CD1 4.29Å; S414-L418 PolarHBondContact O-N 2.76Å; R415-L418 PolarHBondContact O-N 3.44Å; L418-Q420 VanDerWaalsContact C-N 3.3Å; L418-Q420 PolarHBondContact O-N 2.86Å; L418-L421 WeakPolarHBondContact O-CB 3.39Å; L418-L421 PolarHBondContact O-N 3.18Å; L418-E422 HydrophobicContact CD1-CG 4.46Å; L418-E422 WeakPolarHBondContact O-CG 3.4Å; L418-E422 PolarHBondContact O-N 2.78Å
419	Q	95.4	Very high	93	Very high	113 Å²	113	68.7 Å²	68.7	53%	0.528	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-41.2	175.4	-72.6	175.4	-18.8	0	0	111.6	R415 R416 E422 S423	R415-Q419 WeakPolarHBondContact O-CG 3.08Å; R415-Q419 PolarHBondContact O-N 3.03Å; R416-Q419 PolarHBondContact O-N 2.9Å; Q419-E422 PolarHBondContact O-N 2.69Å; Q419-S423 WeakPolarHBondContact O-CB 3.21Å; Q419-S423 PolarHBondContact O-N 2.93Å
420	Q	95.6	Very high	93.7	Very high	71 Å²	71	71.1 Å²	71.1	33%	0.332	34%	0.339	S	S	.	.	H	α-helix	trans	-59.9	-47.9	173.6	-179.3	-177.5	-8.9	0	0	111.7	R416 Y417 L418 E422 S423 E424	R416-Q420 PolarHBondContact O-N 3.21Å; Y417-Q420 PolarHBondContact O-N 2.9Å; L418-Q420 VanDerWaalsContact C-N 3.3Å; L418-Q420 PolarHBondContact O-N 2.86Å; Q420-E422 PolarHBondContact O-N 3.42Å; Q420-S423 PolarHBondContact O-N 3.04Å; Q420-E424 HydrophobicContact CG-CG 4.42Å; Q420-E424 VanDerWaalsContact CG-OE1 3.26Å; Q420-E424 WeakPolarHBondContact CG-OE1 3.32Å; Q420-E424 PolarHBondContact NE2-OE1 3.08Å; Q420-E424 WeakPolarHBondContact O-CG 3.45Å; Q420-E424 PolarHBondContact O-N 2.61Å
421	L	97.1	Very high	94	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-57.8	-46.6	177.1	173.7	65.1	0	0	0	112	V360 A363 K364 F402 Y417 L418 S423 E424 I425	V360-L421 HydrophobicContact CG1-CB 4.21Å; V360-L421 HydrophobicContact CG1-CD1 4.16Å; V360-L421 HydrophobicContact CG2-CB 4.3Å; A363-L421 HydrophobicContact CB-CD1 3.94Å; A363-L421 HydrophobicContact CB-CD2 3.65Å; A363-L421 HydrophobicContact CB-CG 4.47Å; K364-L421 HydrophobicContact CB-CD1 3.98Å; F402-L421 HydrophobicContact CB-CD2 3.62Å; F402-L421 HydrophobicContact CD2-CD2 4.03Å; F402-L421 HydrophobicContact CG-CD2 3.84Å; Y417-L421 WeakPolarHBondContact O-CB 3.32Å; Y417-L421 PolarHBondContact O-N 3.31Å; L418-L421 WeakPolarHBondContact O-CB 3.39Å; L418-L421 PolarHBondContact O-N 3.18Å; L421-S423 VanDerWaalsContact C-N 3.35Å; L421-S423 PolarHBondContact O-N 2.85Å; L421-E424 PolarHBondContact O-N 3.39Å; L421-I425 HydrophobicContact CD1-CD1 3.81Å; L421-I425 HydrophobicContact CD1-CG1 4.16Å; L421-I425 HydrophobicContact CG-CD1 3.95Å; L421-I425 WeakPolarHBondContact O-CB 3.39Å; L421-I425 WeakPolarHBondContact O-CG1 3.34Å; L421-I425 PolarHBondContact O-N 3.01Å
422	E	96.6	Very high	94.4	Very high	59 Å²	59	67.6 Å²	67.6	28%	0.276	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-43.7	178.9	-73.1	175.2	-172.7	0	0	111.5	V399 L418 Q419 Q420 I425 D426	V399-E422 HydrophobicContact CG2-CG 3.94Å; L418-E422 HydrophobicContact CD1-CG 4.46Å; L418-E422 WeakPolarHBondContact O-CG 3.4Å; L418-E422 PolarHBondContact O-N 2.78Å; Q419-E422 PolarHBondContact O-N 2.69Å; Q420-E422 PolarHBondContact O-N 3.42Å; E422-I425 PolarHBondContact O-N 3.16Å; E422-D426 VanDerWaalsContact O-CG 3.22Å; E422-D426 PolarHBondContact O-N 3.16Å
423	S	97.1	Very high	94.6	Very high	62 Å²	62	62.1 Å²	62.1	43%	0.434	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-46.9	175.9	-169	0	0	0	0	112	Q419 Q420 L421 I425 D426 E427	Q419-S423 WeakPolarHBondContact O-CB 3.21Å; Q419-S423 PolarHBondContact O-N 2.93Å; Q420-S423 PolarHBondContact O-N 3.04Å; L421-S423 VanDerWaalsContact C-N 3.35Å; L421-S423 PolarHBondContact O-N 2.85Å; S423-I425 VanDerWaalsContact C-N 3.32Å; S423-I425 PolarHBondContact O-N 3.17Å; S423-D426 PolarHBondContact O-N 2.76Å; S423-E427 WeakPolarHBondContact O-CG 3.46Å; S423-E427 PolarHBondContact O-N 3.36Å
424	E	96.2	Very high	94.8	Very high	40 Å²	40	66.3 Å²	66.3	19%	0.187	31%	0.305	C	S	.	.	H	α-helix	trans	-66.2	-33.3	179.5	-71.9	-177.3	-154.4	0	0	112.4	K364 Q420 L421 L428	K364-E424 HydrophobicContact CD-CB 4.34Å; K364-E424 VanDerWaalsContact CD-OE2 3.23Å; K364-E424 WeakPolarHBondContact CD-OE2 3.15Å; K364-E424 WeakPolarHBondContact CE-OE2 3.16Å; K364-E424 IonicContact NZ-OE2 2.81Å; K364-E424 PolarHBondContact NZ-OE2 2.9Å; Q420-E424 HydrophobicContact CG-CG 4.42Å; Q420-E424 VanDerWaalsContact CG-OE1 3.26Å; Q420-E424 WeakPolarHBondContact CG-OE1 3.32Å; Q420-E424 PolarHBondContact NE2-OE1 3.08Å; Q420-E424 WeakPolarHBondContact O-CG 3.45Å; Q420-E424 PolarHBondContact O-N 2.61Å; L421-E424 PolarHBondContact O-N 3.39Å; E424-L428 WeakPolarHBondContact O-CG 3.25Å; E424-L428 PolarHBondContact O-N 2.96Å; E424-L428 VanDerWaalsContact O-N 3.1Å
425	I	97.4	Very high	94.6	Very high	0 Å²	0	69 Å²	69	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67	-42.2	172.8	-76.1	174.1	0	0	0	110.8	Y367 K395 L421 E422 S423 E427 L428 Y429	Y367-I425 HydrophobicContact CD1-CB 4.4Å; Y367-I425 HydrophobicContact CD1-CG1 4.02Å; Y367-I425 HydrophobicContact CD1-CG2 4Å; Y367-I425 HydrophobicContact CD2-CD1 4.49Å; Y367-I425 HydrophobicContact CD2-CG2 3.97Å; Y367-I425 HydrophobicContact CE1-CG2 3.82Å; Y367-I425 HydrophobicContact CE2-CG2 3.81Å; Y367-I425 HydrophobicContact CG-CD1 4.21Å; Y367-I425 HydrophobicContact CG-CG1 4.01Å; Y367-I425 HydrophobicContact CG-CG2 4.09Å; K395-I425 HydrophobicContact CB-CG2 4.1Å; K395-I425 HydrophobicContact CD-CG2 4.09Å; K395-I425 HydrophobicContact CG-CG2 3.88Å; L421-I425 HydrophobicContact CD1-CD1 3.81Å; L421-I425 HydrophobicContact CD1-CG1 4.16Å; L421-I425 HydrophobicContact CG-CD1 3.95Å; L421-I425 WeakPolarHBondContact O-CB 3.39Å; L421-I425 WeakPolarHBondContact O-CG1 3.34Å; L421-I425 PolarHBondContact O-N 3.01Å; E422-I425 PolarHBondContact O-N 3.16Å; S423-I425 VanDerWaalsContact C-N 3.32Å; S423-I425 PolarHBondContact O-N 3.17Å; I425-E427 VanDerWaalsContact C-N 3.33Å; I425-E427 PolarHBondContact O-N 3.09Å; I425-L428 PolarHBondContact O-N 2.82Å; I425-Y429 WeakPolarHBondContact O-CB 3.04Å; I425-Y429 PolarHBondContact O-N 3.49Å
426	D	96.2	Very high	94.4	Very high	59 Å²	59	61.4 Å²	61.4	32%	0.316	29%	0.287	S	S	.	.	H	α-helix	trans	-65.5	-37.5	178.8	-69.5	-21.7	0	0	0	111.6	H391 K395 E422 S423 Y429 I430	H391-D426 IonicContact CE1-OD1 3.69Å; H391-D426 IonicContact NE2-OD1 2.64Å; K395-D426 WeakPolarHBondContact CE-OD1 3.42Å; K395-D426 IonicContact NZ-OD1 3.19Å; K395-D426 PolarHBondContact NZ-OD1 2.64Å; K395-D426 IonicContact NZ-OD2 2.86Å; K395-D426 PolarHBondContact NZ-OD2 2.56Å; E422-D426 VanDerWaalsContact O-CG 3.22Å; E422-D426 PolarHBondContact O-N 3.16Å; S423-D426 PolarHBondContact O-N 2.76Å; D426-Y429 WeakPolarHBondContact O-CB 3.1Å; D426-Y429 PolarHBondContact O-N 3.48Å; D426-I430 WeakPolarHBondContact O-CG1 3.44Å; D426-I430 PolarHBondContact O-N 2.83Å; D426-I430 VanDerWaalsContact O-N 3.12Å
427	E	96.1	Very high	94	Very high	110 Å²	110	56.3 Å²	56.3	51%	0.514	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-45.1	172.2	-73.5	176.4	-167.5	0	0	112.6	S423 I425 Y429 I430 Q431	S423-E427 WeakPolarHBondContact O-CG 3.46Å; S423-E427 PolarHBondContact O-N 3.36Å; I425-E427 VanDerWaalsContact C-N 3.33Å; I425-E427 PolarHBondContact O-N 3.09Å; E427-Y429 VanDerWaalsContact C-N 3.28Å; E427-Y429 PolarHBondContact O-N 3.05Å; E427-I430 PolarHBondContact O-N 3.3Å; E427-Q431 PolarHBondContact O-N 2.97Å
428	L	94.6	Very high	93.4	Very high	21 Å²	21	59.9 Å²	59.9	11%	0.11	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-38.8	174.4	-75.5	175.5	0	0	0	111.5	K364 Y367 E424 I425 I430 Q431 Y432	K364-L428 HydrophobicContact CD-CD1 4.37Å; K364-L428 HydrophobicContact CG-CD1 3.86Å; Y367-L428 HydrophobicContact CD1-CD1 4.22Å; Y367-L428 HydrophobicContact CE1-CB 4.08Å; E424-L428 WeakPolarHBondContact O-CG 3.25Å; E424-L428 PolarHBondContact O-N 2.96Å; E424-L428 VanDerWaalsContact O-N 3.1Å; I425-L428 PolarHBondContact O-N 2.82Å; L428-I430 VanDerWaalsContact C-N 3.33Å; L428-I430 PolarHBondContact O-N 2.74Å; L428-Q431 WeakPolarHBondContact O-CB 3.45Å; L428-Q431 PolarHBondContact O-N 2.98Å; L428-Q431 VanDerWaalsContact O-N 3.08Å; L428-Y432 VanDerWaalsContact O-CD2 3.22Å; L428-Y432 WeakPolarHBondContact O-CD2 3.28Å; L428-Y432 PolarHBondContact O-N 2.88Å
429	Y	96.7	Very high	92.6	Very high	32 Å²	32	60.6 Å²	60.6	13%	0.125	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-40.2	177.8	177.3	-126.2	0	0	0	112.5	M371 L387 Q388 H391 I425 D426 E427 Q431 Y432 I433	M371-Y429 HydrophobicContact CE-CD2 4.16Å; L387-Y429 HydrophobicContact CD2-CE2 4.43Å; L387-Y429 HydrophobicContact CG-CE2 4.16Å; Q388-Y429 VanDerWaalsContact CA-OH 3.26Å; Q388-Y429 WeakPolarHBondContact CA-OH 3.5Å; Q388-Y429 WeakPolarHBondContact CB-OH 3.38Å; H391-Y429 HydrophobicContact CB-CD2 3.53Å; H391-Y429 HydrophobicContact CB-CE2 3.42Å; H391-Y429 VanDerWaalsContact CB-CE2 3.42Å; H391-Y429 HydrophobicContact CB-CG 4.16Å; H391-Y429 AromaticContact CD2-CD1 3.74Å; H391-Y429 AromaticContact CD2-CE1 3.81Å; H391-Y429 AromaticContact CD2-CG 3.93Å; H391-Y429 AromaticContact CE1-CD1 3.79Å; H391-Y429 AromaticContact CE1-CG 3.59Å; H391-Y429 AromaticContact CG-CD1 3.84Å; H391-Y429 AromaticContact CG-CD2 3.44Å; H391-Y429 VanDerWaalsContact CG-CD2 3.44Å; H391-Y429 AromaticContact CG-CE2 3.68Å; H391-Y429 AromaticContact CG-CG 3.53Å; H391-Y429 AromaticContact CG-CZ 3.99Å; H391-Y429 WeakPolarHBondContact ND1-CB 3.39Å; H391-Y429 AromaticContact ND1-CD1 3.87Å; H391-Y429 AromaticContact ND1-CD2 3.53Å; H391-Y429 AromaticContact ND1-CG 3.31Å; H391-Y429 VanDerWaalsContact ND1-CG 3.31Å; H391-Y429 AromaticContact NE2-CD1 3.74Å; H391-Y429 AromaticContact NE2-CG 3.99Å; I425-Y429 WeakPolarHBondContact O-CB 3.04Å; I425-Y429 PolarHBondContact O-N 3.49Å; D426-Y429 WeakPolarHBondContact O-CB 3.1Å; D426-Y429 PolarHBondContact O-N 3.48Å; E427-Y429 VanDerWaalsContact C-N 3.28Å; E427-Y429 PolarHBondContact O-N 3.05Å; Y429-Q431 PolarHBondContact O-N 2.67Å; Y429-Y432 PolarHBondContact O-N 3.07Å; Y429-Y432 VanDerWaalsContact O-N 3.11Å; Y429-I433 HydrophobicContact CD1-CD1 3.84Å; Y429-I433 HydrophobicContact CD2-CD1 4.38Å; Y429-I433 HydrophobicContact CD2-CG1 4.26Å; Y429-I433 HydrophobicContact CE1-CD1 3.42Å; Y429-I433 VanDerWaalsContact CE1-CD1 3.42Å; Y429-I433 HydrophobicContact CE1-CG1 4.16Å; Y429-I433 HydrophobicContact CE2-CD1 4.01Å; Y429-I433 HydrophobicContact CE2-CG1 3.8Å; Y429-I433 HydrophobicContact CG-CD1 4.3Å; Y429-I433 VanDerWaalsContact CZ-CD1 3.5Å; Y429-I433 WeakPolarHBondContact O-CG1 3.46Å; Y429-I433 PolarHBondContact O-N 2.83Å
430	I	94.9	Very high	91.5	Very high	91 Å²	91	57.3 Å²	57.3	47%	0.467	29%	0.29	S	S	.	.	H	α-helix	trans	-59.7	-37.1	174.2	-65.8	165.7	0	0	0	111.1	D426 E427 L428 K434	D426-I430 WeakPolarHBondContact O-CG1 3.44Å; D426-I430 PolarHBondContact O-N 2.83Å; D426-I430 VanDerWaalsContact O-N 3.12Å; E427-I430 PolarHBondContact O-N 3.3Å; L428-I430 VanDerWaalsContact C-N 3.33Å; L428-I430 PolarHBondContact O-N 2.74Å; I430-K434 WeakPolarHBondContact O-CG 3.24Å; I430-K434 PolarHBondContact O-N 3.41Å
431	Q	93.4	Very high	89.9	Confident	119 Å²	119	60.2 Å²	60.2	56%	0.556	31%	0.306	S	S	*	.	H	α-helix	trans	-66.6	-43.3	175.1	-59.7	175	17.6	0	0	111.2	E427 L428 Y429 I433 K434 H435	E427-Q431 PolarHBondContact O-N 2.97Å; L428-Q431 WeakPolarHBondContact O-CB 3.45Å; L428-Q431 PolarHBondContact O-N 2.98Å; L428-Q431 VanDerWaalsContact O-N 3.08Å; Y429-Q431 PolarHBondContact O-N 2.67Å; Q431-I433 PolarHBondContact O-N 3.42Å; Q431-K434 PolarHBondContact O-N 3.14Å; Q431-H435 WeakPolarHBondContact O-CB 3.45Å; Q431-H435 PolarHBondContact O-N 3.39Å
432	Y	93.8	Very high	87.9	Confident	13 Å²	13	68.7 Å²	68.7	5%	0.051	34%	0.343	C	S	.	.	H	α-helix	trans	-63.8	-36.2	176.1	-79.4	-61.1	0	0	0	113.8	N368 M371 E372 C375 L428 Y429 H435 N436	N368-Y432 PolarHBondContact O-OH 3.01Å; N368-Y432 PolarHBondContact OD1-OH 2.93Å; M371-Y432 HydrophobicContact CB-CD1 4.43Å; M371-Y432 HydrophobicContact CB-CD2 3.85Å; M371-Y432 HydrophobicContact CB-CE1 4.08Å; M371-Y432 HydrophobicContact CB-CE2 3.43Å; M371-Y432 VanDerWaalsContact CB-CE2 3.43Å; M371-Y432 HydrophobicContact CB-CG 4.33Å; M371-Y432 HydrophobicContact CE-CD1 4.41Å; M371-Y432 HydrophobicContact CE-CD2 3.7Å; M371-Y432 HydrophobicContact CE-CE2 4.47Å; M371-Y432 HydrophobicContact CE-CG 3.67Å; M371-Y432 HydrophobicContact CG-CD2 4.12Å; M371-Y432 HydrophobicContact CG-CE2 4.02Å; E372-Y432 WeakPolarHBondContact CG-OH 3.4Å; E372-Y432 WeakPolarHBondContact OE1-CE1 3.25Å; E372-Y432 PolarHBondContact OE1-OH 2.95Å; C375-Y432 WeakPolarHBondContact SG-CD1 3.26Å; L428-Y432 VanDerWaalsContact O-CD2 3.22Å; L428-Y432 WeakPolarHBondContact O-CD2 3.28Å; L428-Y432 PolarHBondContact O-N 2.88Å; Y429-Y432 PolarHBondContact O-N 3.07Å; Y429-Y432 VanDerWaalsContact O-N 3.11Å; Y432-H435 PolarHBondContact O-N 3.13Å; Y432-N436 VanDerWaalsContact O-CB 3.24Å; Y432-N436 WeakPolarHBondContact O-CB 3.49Å; Y432-N436 PolarHBondContact O-N 3.1Å
433	I	92	Very high	86.1	Confident	53 Å²	53	72.5 Å²	72.5	27%	0.272	36%	0.361	S	S	.	.	H	α-helix	trans	-59.2	-52.2	173.1	-69.9	162	0	0	0	109.8	L387 Y429 Q431 H435 N436 D437	L387-I433 HydrophobicContact CD2-CG1 4.29Å; Y429-I433 HydrophobicContact CD1-CD1 3.84Å; Y429-I433 HydrophobicContact CD2-CD1 4.38Å; Y429-I433 HydrophobicContact CD2-CG1 4.26Å; Y429-I433 HydrophobicContact CE1-CD1 3.42Å; Y429-I433 VanDerWaalsContact CE1-CD1 3.42Å; Y429-I433 HydrophobicContact CE1-CG1 4.16Å; Y429-I433 HydrophobicContact CE2-CD1 4.01Å; Y429-I433 HydrophobicContact CE2-CG1 3.8Å; Y429-I433 HydrophobicContact CG-CD1 4.3Å; Y429-I433 VanDerWaalsContact CZ-CD1 3.5Å; Y429-I433 WeakPolarHBondContact O-CG1 3.46Å; Y429-I433 PolarHBondContact O-N 2.83Å; Q431-I433 PolarHBondContact O-N 3.42Å; I433-H435 VanDerWaalsContact C-N 3.31Å; I433-H435 PolarHBondContact O-N 2.87Å; I433-N436 PolarHBondContact O-N 2.73Å; I433-D437 WeakPolarHBondContact O-CB 3.44Å; I433-D437 PolarHBondContact O-N 3.39Å
434	K	89.7	Confident	84.3	Confident	150 Å²	150	71.4 Å²	71.4	65%	0.652	36%	0.356	S	S	*	.	H	α-helix	trans	-59.7	-42.3	179.1	-68.7	176.1	-178	177.7	0	112	I430 Q431 S438	I430-K434 WeakPolarHBondContact O-CG 3.24Å; I430-K434 PolarHBondContact O-N 3.41Å; Q431-K434 PolarHBondContact O-N 3.14Å; K434-S438 PolarHBondContact O-N 2.96Å; K434-S438 VanDerWaalsContact O-N 3.16Å
435	H	88.3	Confident	82.7	Confident	69 Å²	69	71.6 Å²	71.6	32%	0.319	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-44.2	177.9	-178.7	-102.5	0	0	0	111.7	C375 Q431 Y432 I433 S438 K439	C375-H435 PolarHBondContact O-CE1 3.32Å; C375-H435 PolarHBondContact O-ND1 3.06Å; C375-H435 VanDerWaalsContact O-ND1 3.11Å; Q431-H435 WeakPolarHBondContact O-CB 3.45Å; Q431-H435 PolarHBondContact O-N 3.39Å; Y432-H435 PolarHBondContact O-N 3.13Å; I433-H435 VanDerWaalsContact C-N 3.31Å; I433-H435 PolarHBondContact O-N 2.87Å; H435-S438 PolarHBondContact O-N 2.94Å; H435-S438 PolarHBondContact O-OG 2.87Å; H435-K439 WeakPolarHBondContact CE1-CE 3.32Å
436	N	88.1	Confident	81.6	Confident	0 Å²	0	75 Å²	75	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-65.4	-44.7	177.2	-176.7	68	0	0	0	111.7	F381 L382 L387 Y432 I433 S438 K439	F381-N436 WeakPolarHBondContact CD2-O 3.31Å; F381-N436 WeakPolarHBondContact CE2-ND2 3.36Å; L382-N436 PolarHBondContact N-OD1 3.2Å; L382-N436 PolarHBondContact O-ND2 3.48Å; L387-N436 HydrophobicContact CD2-CB 3.89Å; Y432-N436 VanDerWaalsContact O-CB 3.24Å; Y432-N436 WeakPolarHBondContact O-CB 3.49Å; Y432-N436 PolarHBondContact O-N 3.1Å; I433-N436 PolarHBondContact O-N 2.73Å; N436-S438 PolarHBondContact O-N 3.44Å; N436-K439 WeakPolarHBondContact O-CB 3.42Å; N436-K439 PolarHBondContact O-N 3.41Å
437	D	84.1	Confident	80.9	Confident	80 Å²	80	72.5 Å²	72.5	43%	0.428	36%	0.364	S	S	.	.	H	α-helix	trans	-60.2	-33	178.7	-74.1	-17	0	0	0	112.6	I433 K439 N440	I433-D437 WeakPolarHBondContact O-CB 3.44Å; I433-D437 PolarHBondContact O-N 3.39Å; D437-K439 PolarHBondContact O-N 3.31Å; D437-K439 VanDerWaalsContact O-N 3.15Å; D437-N440 VanDerWaalsContact O-CB 3.32Å; D437-N440 WeakPolarHBondContact O-CB 3.43Å; D437-N440 PolarHBondContact O-N 3.42Å; D437-N440 VanDerWaalsContact O-N 3.08Å
438	S	82.4	Confident	80.2	Confident	93 Å²	93	68.5 Å²	68.5	65%	0.65	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.3	175.4	80.6	0	0	0	0	113.7	K434 H435 N436	K434-S438 PolarHBondContact O-N 2.96Å; K434-S438 VanDerWaalsContact O-N 3.16Å; H435-S438 PolarHBondContact O-N 2.94Å; H435-S438 PolarHBondContact O-OG 2.87Å; N436-S438 PolarHBondContact O-N 3.44Å
439	K	79.3	Confident	79.6	Confident	38 Å²	38	69.5 Å²	69.5	17%	0.165	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-2.5	178.6	-57	174	177.1	179.6	0	113.6	C375 G376 K379 F381 H435 N436 D437 I441	C375-K439 PolarHBondContact O-NZ 3.45Å; G376-K439 PolarHBondContact O-NZ 2.86Å; K379-K439 WeakPolarHBondContact O-CD 3.49Å; K379-K439 PolarHBondContact O-NZ 3.28Å; F381-K439 HydrophobicContact CB-CB 4.18Å; H435-K439 WeakPolarHBondContact CE1-CE 3.32Å; N436-K439 WeakPolarHBondContact O-CB 3.42Å; N436-K439 PolarHBondContact O-N 3.41Å; D437-K439 PolarHBondContact O-N 3.31Å; D437-K439 VanDerWaalsContact O-N 3.15Å; K439-I441 PolarHBondContact O-N 3.35Å
440	N	73.1	Confident	78.9	Confident	44 Å²	44	68 Å²	68	24%	0.235	35%	0.353	C	S	.	.			trans	-71.3	93.5	-176.4	-170.2	-12.1	0	0	0	111.4	F381 D437 F442 H443	F381-N440 HydrophobicContact CD2-CB 3.96Å; F381-N440 HydrophobicContact CE2-CB 3.84Å; F381-N440 HydrophobicContact CZ-CB 4.34Å; D437-N440 VanDerWaalsContact O-CB 3.32Å; D437-N440 WeakPolarHBondContact O-CB 3.43Å; D437-N440 PolarHBondContact O-N 3.42Å; D437-N440 VanDerWaalsContact O-N 3.08Å; N440-F442 PolarHBondContact O-N 3.13Å; N440-F442 WeakPolarHBondContact OD1-CB 3.44Å; N440-F442 PolarHBondContact OD1-N 2.95Å; N440-H443 PolarHBondContact O-N 3.31Å
441	I	60.8	Low	78.4	Confident	132 Å²	132	64.2 Å²	64.2	68%	0.677	33%	0.334	S	S	*	.	H	α-helix	trans	-60.3	-26.8	-178.6	-60.8	171.5	0	0	0	112	K439 H443 A444 A445	K439-I441 PolarHBondContact O-N 3.35Å; I441-H443 VanDerWaalsContact C-N 3.31Å; I441-H443 PolarHBondContact O-N 3.48Å; I441-A444 CarbonylContact O-C 3.56Å; I441-A444 PolarHBondContact O-N 3.11Å; I441-A445 WeakPolarHBondContact O-CB 3.39Å; I441-A445 PolarHBondContact O-N 2.88Å
442	F	56.2	Low	78.1	Confident	177 Å²	177	64.7 Å²	64.7	78%	0.776	33%	0.334	S	S	*	.	H	α-helix	trans	-67.8	-28.5	-178.7	-103	-86.6	0	0	0	113.4	N440	N440-F442 PolarHBondContact O-N 3.13Å; N440-F442 WeakPolarHBondContact OD1-CB 3.44Å; N440-F442 PolarHBondContact OD1-N 2.95Å
443	H	57.8	Low	77.7	Confident	139 Å²	139	66.6 Å²	66.6	64%	0.644	35%	0.347	S	S	*	.	H	α-helix	trans	-72.1	-33.5	169.7	-92.7	-81.9	0	0	0	112.1	N440 I441	N440-H443 PolarHBondContact O-N 3.31Å; I441-H443 VanDerWaalsContact C-N 3.31Å; I441-H443 PolarHBondContact O-N 3.48Å
444	A	59.8	Low	77.4	Confident	40 Å²	40	65.7 Å²	65.7	33%	0.331	34%	0.344	S	S	.	.	H	α-helix	trans	-77.7	-28.8	179.3	0	0	0	0	0	113.5	I441 P448	I441-A444 CarbonylContact O-C 3.56Å; I441-A444 PolarHBondContact O-N 3.11Å; A444-P448 VanDerWaalsContact O-CD 3.27Å; A444-P448 WeakPolarHBondContact O-CD 3.43Å
445	A	63.1	Low	77.3	Confident	44 Å²	44	59.7 Å²	59.7	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-84.2	-13.1	-179	0	0	0	0	0	114.2	I441 P448 A449	I441-A445 WeakPolarHBondContact O-CB 3.39Å; I441-A445 PolarHBondContact O-N 2.88Å; A445-P448 WeakPolarHBondContact O-CD 2.93Å; A445-P448 WeakPolarHBondContact O-CG 3.25Å; A445-A449 VanDerWaalsContact O-CB 3.24Å; A445-A449 WeakPolarHBondContact O-CB 3.35Å; A445-A449 PolarHBondContact O-N 3.22Å; A445-A449 VanDerWaalsContact O-N 3.13Å
446	R	73.8	Confident	77.3	Confident	71 Å²	71	62.8 Å²	62.8	27%	0.268	33%	0.331	S	S	.	.	H	α-helix	trans	-64	-45.4	-178.8	-173	176.9	177.2	-178.1	-5.4	112.5	A449 T450 A512 D516	R446-A449 PolarHBondContact O-N 2.87Å; R446-T450 VanDerWaalsContact O-CG2 3.27Å; R446-T450 WeakPolarHBondContact O-CG2 3.31Å; R446-T450 PolarHBondContact O-N 2.76Å; R446-T450 PolarHBondContact O-OG1 3.44Å; R446-T450 VanDerWaalsContact O-OG1 3.04Å; R446-A512 PolarHBondContact NH2-O 2.98Å; R446-D516 IonicContact CZ-OD1 3.04Å; R446-D516 IonicContact NH2-OD1 3.89Å; R446-D516 PolarHBondContact NH2-OD1 3.22Å; R446-D516 IonicContact NH2-OD2 3.04Å; R446-D516 PolarHBondContact NH2-OD2 2.96Å
447	T	80.3	Confident	77.2	Confident	6 Å²	6	66 Å²	66	4%	0.037	35%	0.348	C	S	.	.	H	α-helix	trans	-65.1	-47	-179.8	-50.8	0	0	0	0	113.7	T450 L451 W491 I507 D508 A511	T447-T450 WeakPolarHBondContact CA-OG1 2.98Å; T447-T450 PolarHBondContact O-OG1 3.24Å; T447-L451 HydrophobicContact CG2-CD1 4.17Å; T447-L451 WeakPolarHBondContact O-CG 3.46Å; T447-L451 PolarHBondContact O-N 3.41Å; T447-W491 HydrophobicContact CG2-CD2 4.32Å; T447-W491 HydrophobicContact CG2-CG 4.25Å; T447-W491 HydrophobicContact CG2-CZ2 4.48Å; T447-I507 HydrophobicContact CG2-CG2 4.05Å; T447-D508 VanDerWaalsContact CB-OD1 3.23Å; T447-D508 WeakPolarHBondContact CB-OD1 3.49Å; T447-D508 VanDerWaalsContact CG2-OD1 3.27Å; T447-D508 WeakPolarHBondContact CG2-OD1 3.03Å; T447-D508 PolarHBondContact OG1-OD1 3.35Å; T447-A511 HydrophobicContact CG2-CB 3.69Å
448	P	81.8	Confident	77.3	Confident	27 Å²	27	62.9 Å²	62.9	18%	0.175	33%	0.332	C	S	.	.	H	α-helix	trans	-67.1	-38.9	175.4	21.3	-29.6	0	0	0	111.8	A444 A445 T450 L451 F452 L488 W491	A444-P448 VanDerWaalsContact O-CD 3.27Å; A444-P448 WeakPolarHBondContact O-CD 3.43Å; A445-P448 WeakPolarHBondContact O-CD 2.93Å; A445-P448 WeakPolarHBondContact O-CG 3.25Å; P448-T450 PolarHBondContact O-N 3.42Å; P448-L451 PolarHBondContact O-N 3.42Å; P448-F452 WeakPolarHBondContact O-CB 3.35Å; P448-F452 VanDerWaalsContact O-CD2 3.28Å; P448-F452 WeakPolarHBondContact O-CD2 3.32Å; P448-F452 PolarHBondContact O-N 2.98Å; P448-L488 HydrophobicContact CB-CD1 4.23Å; P448-W491 HydrophobicContact CB-CH2 4.3Å; P448-W491 HydrophobicContact CB-CZ3 4.01Å; P448-W491 VanDerWaalsContact CD-CH2 3.49Å; P448-W491 HydrophobicContact CG-CH2 3.65Å; P448-W491 HydrophobicContact CG-CZ2 4.38Å; P448-W491 HydrophobicContact CG-CZ3 3.86Å
449	A	81.6	Confident	77.6	Confident	41 Å²	41	65.7 Å²	65.7	34%	0.339	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-44.2	178.2	0	0	0	0	0	112.9	A445 R446 F452 V453 W515	A445-A449 VanDerWaalsContact O-CB 3.24Å; A445-A449 WeakPolarHBondContact O-CB 3.35Å; A445-A449 PolarHBondContact O-N 3.22Å; A445-A449 VanDerWaalsContact O-N 3.13Å; R446-A449 PolarHBondContact O-N 2.87Å; A449-F452 PolarHBondContact O-N 3.35Å; A449-V453 WeakPolarHBondContact O-CG2 3.28Å; A449-V453 PolarHBondContact O-N 3.44Å; A449-V453 VanDerWaalsContact O-N 3.1Å; A449-W515 HydrophobicContact CB-CZ3 4.49Å
450	T	82.8	Confident	78	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.006	34%	0.341	C	S	.	.	H	α-helix	trans	-58.1	-50.6	175.1	46	0	0	0	0	112	R446 T447 P448 F452 V453 V454 A511 W515 L519	R446-T450 VanDerWaalsContact O-CG2 3.27Å; R446-T450 WeakPolarHBondContact O-CG2 3.31Å; R446-T450 PolarHBondContact O-N 2.76Å; R446-T450 PolarHBondContact O-OG1 3.44Å; R446-T450 VanDerWaalsContact O-OG1 3.04Å; T447-T450 WeakPolarHBondContact CA-OG1 2.98Å; T447-T450 PolarHBondContact O-OG1 3.24Å; P448-T450 PolarHBondContact O-N 3.42Å; T450-F452 PolarHBondContact O-N 3.12Å; T450-V453 PolarHBondContact O-N 3.16Å; T450-V454 WeakPolarHBondContact O-CG2 3.34Å; T450-V454 PolarHBondContact O-N 3.08Å; T450-A511 WeakPolarHBondContact CG2-O 3.42Å; T450-A511 WeakPolarHBondContact OG1-CB 3.48Å; T450-W515 HydrophobicContact CG2-CB 3.57Å; T450-W515 HydrophobicContact CG2-CD2 3.84Å; T450-W515 HydrophobicContact CG2-CE3 3.24Å; T450-W515 HydrophobicContact CG2-CG 4.03Å; T450-W515 HydrophobicContact CG2-CZ3 4.13Å; T450-L519 HydrophobicContact CG2-CD1 4.21Å
451	L	84.8	Confident	78.6	Confident	12 Å²	12	68.5 Å²	68.5	6%	0.063	35%	0.348	C	S	.	.	H	α-helix	trans	-62.9	-40.9	-178.9	-67.8	174	0	0	0	111.6	T447 P448 V453 V454 I455 L488	T447-L451 HydrophobicContact CG2-CD1 4.17Å; T447-L451 WeakPolarHBondContact O-CG 3.46Å; T447-L451 PolarHBondContact O-N 3.41Å; P448-L451 PolarHBondContact O-N 3.42Å; L451-V453 PolarHBondContact O-N 3.05Å; L451-V454 PolarHBondContact O-N 3.35Å; L451-I455 VanDerWaalsContact O-CG1 3.29Å; L451-I455 WeakPolarHBondContact O-CG1 3.46Å; L451-I455 PolarHBondContact O-N 2.88Å; L451-L488 HydrophobicContact CB-CD1 3.89Å; L451-L488 HydrophobicContact CD1-CB 4.29Å; L451-L488 HydrophobicContact CD1-CD1 3.92Å
452	F	85.8	Confident	79.8	Confident	129 Å²	129	62.6 Å²	62.6	57%	0.566	32%	0.318	S	S	*	.	H	α-helix	trans	-60.3	-42	174.4	-95.8	-70.4	0	0	0	112.9	P448 A449 T450 I455 F456 L488	P448-F452 WeakPolarHBondContact O-CB 3.35Å; P448-F452 VanDerWaalsContact O-CD2 3.28Å; P448-F452 WeakPolarHBondContact O-CD2 3.32Å; P448-F452 PolarHBondContact O-N 2.98Å; A449-F452 PolarHBondContact O-N 3.35Å; T450-F452 PolarHBondContact O-N 3.12Å; F452-I455 PolarHBondContact O-N 3.11Å; F452-F456 PolarHBondContact O-N 3.47Å; F452-L488 HydrophobicContact CD2-CD1 4.43Å; F452-L488 HydrophobicContact CD2-CD2 4.49Å; F452-L488 HydrophobicContact CE2-CD1 4.39Å; F452-L488 HydrophobicContact CE2-CD2 3.97Å; F452-L488 HydrophobicContact CZ-CD2 4.03Å
453	V	86.3	Confident	81.1	Confident	52 Å²	52	56.4 Å²	56.4	32%	0.315	31%	0.305	S	S	.	.	H	α-helix	trans	-69.4	-36.9	178.8	-177.2	0	0	0	0	111.5	A449 T450 L451 F456 I457 L519	A449-V453 WeakPolarHBondContact O-CG2 3.28Å; A449-V453 PolarHBondContact O-N 3.44Å; A449-V453 VanDerWaalsContact O-N 3.1Å; T450-V453 PolarHBondContact O-N 3.16Å; L451-V453 PolarHBondContact O-N 3.05Å; V453-F456 PolarHBondContact O-N 2.84Å; V453-I457 HydrophobicContact CG1-CD1 3.86Å; V453-I457 HydrophobicContact CG1-CG1 4.26Å; V453-I457 WeakPolarHBondContact O-CG1 3.24Å; V453-I457 PolarHBondContact O-N 2.9Å; V453-L519 HydrophobicContact CB-CD1 4.25Å; V453-L519 HydrophobicContact CB-CD2 3.92Å; V453-L519 HydrophobicContact CG1-CD2 3.33Å; V453-L519 HydrophobicContact CG2-CD2 4.39Å
454	V	86.5	Confident	82.5	Confident	34 Å²	34	53.6 Å²	53.6	21%	0.206	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-42.8	175	174.9	0	0	0	0	111.2	T450 L451 F456 I457 T458 T484	T450-V454 WeakPolarHBondContact O-CG2 3.34Å; T450-V454 PolarHBondContact O-N 3.08Å; L451-V454 PolarHBondContact O-N 3.35Å; V454-F456 VanDerWaalsContact C-N 3.33Å; V454-F456 PolarHBondContact O-N 3.19Å; V454-I457 PolarHBondContact O-N 3Å; V454-T458 HydrophobicContact CG1-CG2 4.48Å; V454-T458 WeakPolarHBondContact O-CB 3.36Å; V454-T458 WeakPolarHBondContact O-CG2 3.38Å; V454-T458 PolarHBondContact O-N 3.45Å; V454-T458 PolarHBondContact O-OG1 2.88Å; V454-T484 HydrophobicContact CG1-CG2 3.95Å
455	I	87.6	Confident	83.7	Confident	25 Å²	25	52.6 Å²	52.6	13%	0.128	29%	0.287	C	S	.	.	H	α-helix	trans	-58.9	-45.9	173.9	-69.3	163.8	0	0	0	110.3	L451 F452 T458 Y459 M481 L485 L488	L451-I455 VanDerWaalsContact O-CG1 3.29Å; L451-I455 WeakPolarHBondContact O-CG1 3.46Å; L451-I455 PolarHBondContact O-N 2.88Å; F452-I455 PolarHBondContact O-N 3.11Å; I455-T458 PolarHBondContact O-OG1 3.33Å; I455-T458 VanDerWaalsContact O-OG1 3.1Å; I455-Y459 VanDerWaalsContact O-CB 3.28Å; I455-Y459 WeakPolarHBondContact O-CB 3.34Å; I455-Y459 PolarHBondContact O-N 3.12Å; I455-M481 HydrophobicContact CG2-CG 4.1Å; I455-M481 HydrophobicContact CG2-SD 4.5Å; I455-L485 HydrophobicContact CD1-CD1 4.15Å; I455-L488 HydrophobicContact CD1-CD2 4.48Å
456	F	86.8	Confident	84.6	Confident	134 Å²	134	52 Å²	52	59%	0.588	29%	0.285	S	S	*	.	H	α-helix	trans	-62	-46.7	179.4	-177.6	-99.6	0	0	0	112.7	F452 V453 V454 Y459 V460	F452-F456 PolarHBondContact O-N 3.47Å; V453-F456 PolarHBondContact O-N 2.84Å; V454-F456 VanDerWaalsContact C-N 3.33Å; V454-F456 PolarHBondContact O-N 3.19Å; F456-Y459 PolarHBondContact O-N 3.43Å; F456-V460 HydrophobicContact CE1-CG2 4.17Å; F456-V460 HydrophobicContact CE2-CG2 4.46Å; F456-V460 HydrophobicContact CZ-CG2 4.13Å; F456-V460 WeakPolarHBondContact O-CG2 3.41Å; F456-V460 PolarHBondContact O-N 3.36Å; F456-V460 VanDerWaalsContact O-N 3.1Å
457	I	86.9	Confident	85	Confident	66 Å²	66	57.7 Å²	57.7	34%	0.338	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-46.3	-179.7	-68.9	170.7	0	0	0	110.8	V453 V454 Y459 V460 I461 L522	V453-I457 HydrophobicContact CG1-CD1 3.86Å; V453-I457 HydrophobicContact CG1-CG1 4.26Å; V453-I457 WeakPolarHBondContact O-CG1 3.24Å; V453-I457 PolarHBondContact O-N 2.9Å; V454-I457 PolarHBondContact O-N 3Å; I457-Y459 VanDerWaalsContact C-N 3.33Å; I457-Y459 PolarHBondContact O-N 3.15Å; I457-V460 PolarHBondContact O-N 3.49Å; I457-I461 HydrophobicContact CG2-CD1 3.71Å; I457-I461 HydrophobicContact CG2-CG1 4.44Å; I457-I461 WeakPolarHBondContact O-CG1 3.34Å; I457-I461 PolarHBondContact O-N 3.36Å; I457-L522 HydrophobicContact CD1-CD1 4.5Å
458	T	86.8	Confident	85.2	Confident	16 Å²	16	62.6 Å²	62.6	10%	0.098	34%	0.337	C	S	.	.	H	α-helix	trans	-66	-35.5	-179.6	48.7	0	0	0	0	112.4	V454 I455 I461 A462 I480	V454-T458 HydrophobicContact CG1-CG2 4.48Å; V454-T458 WeakPolarHBondContact O-CB 3.36Å; V454-T458 WeakPolarHBondContact O-CG2 3.38Å; V454-T458 PolarHBondContact O-N 3.45Å; V454-T458 PolarHBondContact O-OG1 2.88Å; I455-T458 PolarHBondContact O-OG1 3.33Å; I455-T458 VanDerWaalsContact O-OG1 3.1Å; T458-I461 PolarHBondContact O-N 2.99Å; T458-A462 VanDerWaalsContact O-CB 3.29Å; T458-A462 WeakPolarHBondContact O-CB 3.47Å; T458-A462 PolarHBondContact O-N 3.31Å; T458-I480 HydrophobicContact CG2-CG2 3.99Å
459	Y	87.7	Confident	85.1	Confident	152 Å²	152	63.7 Å²	63.7	60%	0.596	35%	0.353	S	S	*	.	H	α-helix	trans	-61.2	-47.6	172.3	177.3	-102.3	0	0	0	112.4	I455 F456 I457 I461 A462 G463 M481	I455-Y459 VanDerWaalsContact O-CB 3.28Å; I455-Y459 WeakPolarHBondContact O-CB 3.34Å; I455-Y459 PolarHBondContact O-N 3.12Å; F456-Y459 PolarHBondContact O-N 3.43Å; I457-Y459 VanDerWaalsContact C-N 3.33Å; I457-Y459 PolarHBondContact O-N 3.15Å; Y459-I461 PolarHBondContact O-N 3.25Å; Y459-A462 PolarHBondContact O-N 2.94Å; Y459-G463 PolarHBondContact O-N 3.29Å; Y459-M481 HydrophobicContact CD2-SD 4.02Å; Y459-M481 HydrophobicContact CG-SD 4.45Å
460	V	87.3	Confident	85.2	Confident	67 Å²	67	65.8 Å²	65.8	41%	0.406	36%	0.358	S	S	.	.	H	α-helix	trans	-63	-44.2	178.6	173.6	0	0	0	0	110.9	F456 I457 G463 V464	F456-V460 HydrophobicContact CE1-CG2 4.17Å; F456-V460 HydrophobicContact CE2-CG2 4.46Å; F456-V460 HydrophobicContact CZ-CG2 4.13Å; F456-V460 WeakPolarHBondContact O-CG2 3.41Å; F456-V460 PolarHBondContact O-N 3.36Å; F456-V460 VanDerWaalsContact O-N 3.1Å; I457-V460 PolarHBondContact O-N 3.49Å; V460-G463 PolarHBondContact O-N 2.9Å; V460-V464 WeakPolarHBondContact O-CG2 3.18Å; V460-V464 PolarHBondContact O-N 3.05Å
461	I	85.8	Confident	85.1	Confident	74 Å²	74	70.8 Å²	70.8	38%	0.379	39%	0.385	S	S	.	.	H	α-helix	trans	-64.2	-42.9	178	-65.5	169.5	0	0	0	110.9	I457 T458 Y459 G463 V464 T465	I457-I461 HydrophobicContact CG2-CD1 3.71Å; I457-I461 HydrophobicContact CG2-CG1 4.44Å; I457-I461 WeakPolarHBondContact O-CG1 3.34Å; I457-I461 PolarHBondContact O-N 3.36Å; T458-I461 PolarHBondContact O-N 2.99Å; Y459-I461 PolarHBondContact O-N 3.25Å; I461-G463 VanDerWaalsContact C-N 3.33Å; I461-G463 PolarHBondContact O-N 2.91Å; I461-V464 PolarHBondContact O-N 3.35Å; I461-T465 HydrophobicContact CG2-CG2 4.11Å; I461-T465 WeakPolarHBondContact O-CB 3.5Å; I461-T465 WeakPolarHBondContact O-CG2 3.43Å; I461-T465 PolarHBondContact O-N 3.35Å; I461-T465 PolarHBondContact O-OG1 3.25Å
462	A	87.2	Confident	85.1	Confident	7 Å²	7	77.2 Å²	77.2	6%	0.058	42%	0.418	C	S	.	.	H	α-helix	trans	-60.4	-43	176.5	0	0	0	0	0	111.6	T458 Y459 T465 G466 C477	T458-A462 VanDerWaalsContact O-CB 3.29Å; T458-A462 WeakPolarHBondContact O-CB 3.47Å; T458-A462 PolarHBondContact O-N 3.31Å; Y459-A462 PolarHBondContact O-N 2.94Å; A462-T465 PolarHBondContact O-OG1 3.32Å; A462-G466 PolarHBondContact O-N 3.16Å; A462-C477 HydrophobicContact CB-CB 3.8Å
463	G	84	Confident	84.9	Confident	48 Å²	48	75 Å²	75	50%	0.495	41%	0.411	S	S	.	.	H	α-helix	trans	-63.7	-45.6	177.3	0	0	0	0	0	113.2	Y459 V460 I461 F467	Y459-G463 PolarHBondContact O-N 3.29Å; V460-G463 PolarHBondContact O-N 2.9Å; I461-G463 VanDerWaalsContact C-N 3.33Å; I461-G463 PolarHBondContact O-N 2.91Å; G463-F467 WeakPolarHBondContact O-CB 3.26Å; G463-F467 PolarHBondContact O-N 2.98Å
464	V	87.1	Confident	84.7	Confident	80 Å²	80	73 Å²	73	49%	0.485	40%	0.399	S	S	.	.	H	α-helix	trans	-68.4	-44.7	179.4	174.2	0	0	0	0	111.5	V460 I461 F467 I468	V460-V464 WeakPolarHBondContact O-CG2 3.18Å; V460-V464 PolarHBondContact O-N 3.05Å; I461-V464 PolarHBondContact O-N 3.35Å; V464-F467 WeakPolarHBondContact O-CB 3.28Å; V464-F467 PolarHBondContact O-N 3.06Å; V464-I468 HydrophobicContact CG1-CD1 3.8Å; V464-I468 WeakPolarHBondContact O-CD1 3.27Å; V464-I468 VanDerWaalsContact O-CG1 3.28Å; V464-I468 WeakPolarHBondContact O-CG1 3.23Å; V464-I468 PolarHBondContact O-N 3.14Å; V464-I468 VanDerWaalsContact O-N 3.12Å
465	T	84.5	Confident	84.6	Confident	18 Å²	18	75 Å²	75	11%	0.11	42%	0.415	C	S	.	.	H	α-helix	trans	-71	-34.4	-179.1	53	0	0	0	0	112.6	I461 A462 F467 I468 G469 L470 I473	I461-T465 HydrophobicContact CG2-CG2 4.11Å; I461-T465 WeakPolarHBondContact O-CB 3.5Å; I461-T465 WeakPolarHBondContact O-CG2 3.43Å; I461-T465 PolarHBondContact O-N 3.35Å; I461-T465 PolarHBondContact O-OG1 3.25Å; A462-T465 PolarHBondContact O-OG1 3.32Å; T465-F467 VanDerWaalsContact C-N 3.33Å; T465-I468 PolarHBondContact O-N 3.35Å; T465-G469 PolarHBondContact O-N 3.28Å; T465-L470 PolarHBondContact O-N 3.37Å; T465-I473 HydrophobicContact CG2-CG2 3.92Å
466	G	81	Confident	84.6	Confident	32 Å²	32	78.2 Å²	78.2	33%	0.33	43%	0.432	S	S	.	.	H	α-helix	trans	-64.8	-36.6	170.6	0	0	0	0	0	112.4	A462 I468 G469	A462-G466 PolarHBondContact O-N 3.16Å; G466-I468 VanDerWaalsContact C-N 3.34Å; G466-I468 PolarHBondContact O-N 3.43Å; G466-G469 PolarHBondContact O-N 2.92Å
467	F	82.2	Confident	84.5	Confident	190 Å²	190	72.5 Å²	72.5	83%	0.833	41%	0.408	S	S	*	.	H	α-helix	trans	-67.3	-33.2	174.7	-173.7	-97.9	0	0	0	113.1	G463 V464 T465 G469	G463-F467 WeakPolarHBondContact O-CB 3.26Å; G463-F467 PolarHBondContact O-N 2.98Å; V464-F467 WeakPolarHBondContact O-CB 3.28Å; V464-F467 PolarHBondContact O-N 3.06Å; T465-F467 VanDerWaalsContact C-N 3.33Å; F467-G469 VanDerWaalsContact C-N 3.27Å; F467-G469 PolarHBondContact O-N 2.81Å
468	I	85.3	Confident	84.5	Confident	110 Å²	110	73 Å²	73	56%	0.564	41%	0.411	S	S	*	.	H	α-helix	trans	-78.4	-11.2	178.4	-63.3	163.9	0	0	0	111.9	V464 T465 G466 L470	V464-I468 HydrophobicContact CG1-CD1 3.8Å; V464-I468 WeakPolarHBondContact O-CD1 3.27Å; V464-I468 VanDerWaalsContact O-CG1 3.28Å; V464-I468 WeakPolarHBondContact O-CG1 3.23Å; V464-I468 PolarHBondContact O-N 3.14Å; V464-I468 VanDerWaalsContact O-N 3.12Å; T465-I468 PolarHBondContact O-N 3.35Å; G466-I468 VanDerWaalsContact C-N 3.34Å; G466-I468 PolarHBondContact O-N 3.43Å; I468-L470 HydrophobicContact CG2-CD1 4.18Å; I468-L470 HydrophobicContact CG2-CG 4.23Å
469	G	78.9	Confident	84.6	Confident	49 Å²	49	77.6 Å²	77.6	51%	0.505	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	19.9	-178.1	0	0	0	0	0	114.3	T465 G466 F467 D471	T465-G469 PolarHBondContact O-N 3.28Å; G466-G469 PolarHBondContact O-N 2.92Å; F467-G469 VanDerWaalsContact C-N 3.27Å; F467-G469 PolarHBondContact O-N 2.81Å; G469-D471 VanDerWaalsContact C-N 3.33Å; G469-D471 PolarHBondContact O-N 2.87Å
470	L	85.1	Confident	84.6	Confident	85 Å²	85	73.4 Å²	73.4	45%	0.445	42%	0.421	S	S	.	.			trans	-91.7	64.8	175.1	-65.9	172.5	0	0	0	110.6	T465 I468 I472 I473 A474	T465-L470 PolarHBondContact O-N 3.37Å; I468-L470 HydrophobicContact CG2-CD1 4.18Å; I468-L470 HydrophobicContact CG2-CG 4.23Å; L470-I472 PolarHBondContact O-N 2.85Å; L470-I472 VanDerWaalsContact O-N 3.14Å; L470-I473 HydrophobicContact CB-CB 4.43Å; L470-I473 HydrophobicContact CB-CD1 4.35Å; L470-I473 HydrophobicContact CD1-CD1 4.23Å; L470-I473 PolarHBondContact O-N 3.39Å; L470-A474 PolarHBondContact O-N 3.09Å; L470-A474 VanDerWaalsContact O-N 3.09Å
471	D	79.9	Confident	84.6	Confident	107 Å²	107	72.2 Å²	72.2	57%	0.572	41%	0.411	S	S	*	.	H	α-helix	trans	-59.5	-30.8	-169.1	-65.1	-34	0	0	0	114.1	G469 S475	G469-D471 VanDerWaalsContact C-N 3.33Å; G469-D471 PolarHBondContact O-N 2.87Å; D471-S475 VanDerWaalsContact O-CB 3.25Å; D471-S475 WeakPolarHBondContact O-CB 3.27Å; D471-S475 PolarHBondContact O-N 3.19Å; D471-S475 PolarHBondContact O-OG 3.14Å
472	I	83.7	Confident	84.7	Confident	147 Å²	147	70.2 Å²	70.2	75%	0.754	41%	0.408	S	S	*	.	H	α-helix	trans	-65.3	-43.1	177.5	-60.4	172.6	0	0	0	110.7	L470 L476	L470-I472 PolarHBondContact O-N 2.85Å; L470-I472 VanDerWaalsContact O-N 3.14Å; I472-L476 WeakPolarHBondContact O-CB 3.48Å; I472-L476 PolarHBondContact O-N 3.23Å
473	I	82.3	Confident	84.8	Confident	83 Å²	83	74.7 Å²	74.7	43%	0.426	43%	0.431	S	S	.	.	H	α-helix	trans	-73.7	-41.7	-178.6	-63.4	172.8	0	0	0	109.8	T465 L470 S475 L476 C477	T465-I473 HydrophobicContact CG2-CG2 3.92Å; L470-I473 HydrophobicContact CB-CB 4.43Å; L470-I473 HydrophobicContact CB-CD1 4.35Å; L470-I473 HydrophobicContact CD1-CD1 4.23Å; L470-I473 PolarHBondContact O-N 3.39Å; I473-S475 VanDerWaalsContact C-N 3.32Å; I473-S475 PolarHBondContact O-N 2.92Å; I473-L476 PolarHBondContact O-N 2.8Å; I473-C477 PolarHBondContact O-N 2.87Å; I473-C477 PolarHBondContact O-SG 3.29Å
474	A	81.6	Confident	85	Confident	8 Å²	8	73.3 Å²	73.3	7%	0.066	41%	0.413	C	S	.	.	H	α-helix	trans	-59.9	-42.5	175.2	0	0	0	0	0	111.9	L470 C477 N478	L470-A474 PolarHBondContact O-N 3.09Å; L470-A474 VanDerWaalsContact O-N 3.09Å; A474-C477 PolarHBondContact O-N 3.38Å; A474-N478 WeakPolarHBondContact O-CB 3.43Å; A474-N478 PolarHBondContact O-N 3.03Å; A474-N478 PolarHBondContact O-ND2 3.04Å
475	S	85.1	Confident	85.1	Confident	76 Å²	76	73.9 Å²	73.9	53%	0.531	41%	0.413	S	S	.	.	H	α-helix	trans	-65.1	-39.5	176.7	-61.2	0	0	0	0	112.3	D471 I473 N478 M479	D471-S475 VanDerWaalsContact O-CB 3.25Å; D471-S475 WeakPolarHBondContact O-CB 3.27Å; D471-S475 PolarHBondContact O-N 3.19Å; D471-S475 PolarHBondContact O-OG 3.14Å; I473-S475 VanDerWaalsContact C-N 3.32Å; I473-S475 PolarHBondContact O-N 2.92Å; S475-N478 PolarHBondContact O-N 3.04Å; S475-M479 PolarHBondContact O-N 3.18Å
476	L	87.7	Confident	85.3	Confident	94 Å²	94	78 Å²	78	49%	0.492	43%	0.433	S	S	.	.	H	α-helix	trans	-66	-42.4	176.2	-167.6	121.1	0	0	0	111.8	I472 I473 M479 I480	I472-L476 WeakPolarHBondContact O-CB 3.48Å; I472-L476 PolarHBondContact O-N 3.23Å; I473-L476 PolarHBondContact O-N 2.8Å; L476-M479 PolarHBondContact O-N 2.85Å; L476-I480 HydrophobicContact CD2-CD1 3.83Å; L476-I480 HydrophobicContact CG-CD1 4.44Å; L476-I480 WeakPolarHBondContact O-CG1 3Å; L476-I480 PolarHBondContact O-N 3.48Å
477	C	84.6	Confident	85.7	Confident	13 Å²	13	79 Å²	79	9%	0.088	43%	0.433	C	S	.	.	H	α-helix	trans	-64.2	-40.3	174.9	-71.2	0	0	0	0	112.3	A462 I473 A474 M479 I480 M481	A462-C477 HydrophobicContact CB-CB 3.8Å; I473-C477 PolarHBondContact O-N 2.87Å; I473-C477 PolarHBondContact O-SG 3.29Å; A474-C477 PolarHBondContact O-N 3.38Å; C477-M479 VanDerWaalsContact C-N 3.34Å; C477-M479 PolarHBondContact O-N 2.87Å; C477-I480 PolarHBondContact O-N 3.2Å; C477-M481 WeakPolarHBondContact O-CB 3.46Å; C477-M481 PolarHBondContact O-N 3.09Å
478	N	86.1	Confident	86	Confident	76 Å²	76	71.1 Å²	71.1	41%	0.406	40%	0.399	S	S	.	.	H	α-helix	trans	-64.8	-36.4	174.4	-77.2	-36.1	0	0	0	112.6	A474 S475 M481 G482	A474-N478 WeakPolarHBondContact O-CB 3.43Å; A474-N478 PolarHBondContact O-N 3.03Å; A474-N478 PolarHBondContact O-ND2 3.04Å; S475-N478 PolarHBondContact O-N 3.04Å; N478-M481 PolarHBondContact O-N 2.68Å; N478-M481 WeakPolarHBondContact OD1-CE 3.21Å; N478-G482 PolarHBondContact O-N 2.95Å
479	M	89.9	Confident	86.2	Confident	113 Å²	113	69.6 Å²	69.6	56%	0.557	40%	0.398	S	S	*	.	H	α-helix	trans	-64.8	-44.5	174	-172.2	-174.5	73.4	0	0	111.6	S475 L476 C477 M481 G482 L483	S475-M479 PolarHBondContact O-N 3.18Å; L476-M479 PolarHBondContact O-N 2.85Å; C477-M479 VanDerWaalsContact C-N 3.34Å; C477-M479 PolarHBondContact O-N 2.87Å; M479-M481 VanDerWaalsContact C-N 3.33Å; M479-M481 PolarHBondContact O-N 3.03Å; M479-G482 PolarHBondContact O-N 3.21Å; M479-L483 HydrophobicContact CG-CD1 4.42Å; M479-L483 WeakPolarHBondContact O-CG 3.33Å; M479-L483 PolarHBondContact O-N 3.1Å
480	I	88	Confident	86.6	Confident	64 Å²	64	69.9 Å²	69.9	33%	0.328	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-41.4	176.1	-66.4	166.7	0	0	0	110.7	T458 L476 C477 L483 T484	T458-I480 HydrophobicContact CG2-CG2 3.99Å; L476-I480 HydrophobicContact CD2-CD1 3.83Å; L476-I480 HydrophobicContact CG-CD1 4.44Å; L476-I480 WeakPolarHBondContact O-CG1 3Å; L476-I480 PolarHBondContact O-N 3.48Å; C477-I480 PolarHBondContact O-N 3.2Å; I480-L483 PolarHBondContact O-N 2.98Å; I480-T484 WeakPolarHBondContact O-CB 3.37Å; I480-T484 WeakPolarHBondContact O-CG2 3.21Å; I480-T484 PolarHBondContact O-N 3.48Å; I480-T484 PolarHBondContact O-OG1 2.93Å
481	M	87	Confident	86.7	Confident	43 Å²	43	67.2 Å²	67.2	21%	0.212	37%	0.374	C	S	.	.	H	α-helix	trans	-61.6	-44.5	175	-174.5	-179.3	62.5	0	0	111.7	I455 Y459 C477 N478 M479 T484 L485	I455-M481 HydrophobicContact CG2-CG 4.1Å; I455-M481 HydrophobicContact CG2-SD 4.5Å; Y459-M481 HydrophobicContact CD2-SD 4.02Å; Y459-M481 HydrophobicContact CG-SD 4.45Å; C477-M481 WeakPolarHBondContact O-CB 3.46Å; C477-M481 PolarHBondContact O-N 3.09Å; N478-M481 PolarHBondContact O-N 2.68Å; N478-M481 WeakPolarHBondContact OD1-CE 3.21Å; M479-M481 VanDerWaalsContact C-N 3.33Å; M479-M481 PolarHBondContact O-N 3.03Å; M481-T484 VanDerWaalsContact CA-OG1 3.3Å; M481-T484 WeakPolarHBondContact CA-OG1 3.28Å; M481-T484 PolarHBondContact O-N 2.83Å; M481-T484 PolarHBondContact O-OG1 3.1Å; M481-L485 WeakPolarHBondContact O-CB 3.4Å; M481-L485 PolarHBondContact O-N 3.47Å
482	G	87.2	Confident	86.9	Confident	31 Å²	31	64.5 Å²	64.5	32%	0.32	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-44.6	175.8	0	0	0	0	0	112.8	N478 M479 L485 I486	N478-G482 PolarHBondContact O-N 2.95Å; M479-G482 PolarHBondContact O-N 3.21Å; G482-L485 PolarHBondContact O-N 3.39Å; G482-I486 VanDerWaalsContact O-CG1 3.32Å; G482-I486 WeakPolarHBondContact O-CG1 3.48Å; G482-I486 PolarHBondContact O-N 2.85Å
483	L	89.7	Confident	86.9	Confident	101 Å²	101	63.6 Å²	63.6	53%	0.529	35%	0.354	S	S	.	.	H	α-helix	trans	-62.7	-43.7	176.4	-72.4	170.5	0	0	0	111.9	M479 I480 I486 T487	M479-L483 HydrophobicContact CG-CD1 4.42Å; M479-L483 WeakPolarHBondContact O-CG 3.33Å; M479-L483 PolarHBondContact O-N 3.1Å; I480-L483 PolarHBondContact O-N 2.98Å; L483-I486 PolarHBondContact O-N 2.86Å; L483-T487 WeakPolarHBondContact O-CG2 3.3Å; L483-T487 PolarHBondContact O-N 2.84Å; L483-T487 PolarHBondContact O-OG1 3.43Å
484	T	87.9	Confident	87.1	Confident	20 Å²	20	60.3 Å²	60.3	12%	0.123	34%	0.337	C	S	.	.	H	α-helix	trans	-66.9	-36.1	178.7	44.6	0	0	0	0	112.7	V454 I480 M481 T487 L488	V454-T484 HydrophobicContact CG1-CG2 3.95Å; I480-T484 WeakPolarHBondContact O-CB 3.37Å; I480-T484 WeakPolarHBondContact O-CG2 3.21Å; I480-T484 PolarHBondContact O-N 3.48Å; I480-T484 PolarHBondContact O-OG1 2.93Å; M481-T484 VanDerWaalsContact CA-OG1 3.3Å; M481-T484 WeakPolarHBondContact CA-OG1 3.28Å; M481-T484 PolarHBondContact O-N 2.83Å; M481-T484 PolarHBondContact O-OG1 3.1Å; T484-T487 VanDerWaalsContact C-OG1 3.3Å; T484-T487 VanDerWaalsContact CA-OG1 3.25Å; T484-T487 WeakPolarHBondContact CA-OG1 3.38Å; T484-T487 PolarHBondContact O-N 2.8Å; T484-T487 PolarHBondContact O-OG1 2.94Å; T484-L488 PolarHBondContact O-N 3Å
485	L	88.9	Confident	87	Confident	91 Å²	91	66.6 Å²	66.6	48%	0.476	36%	0.359	S	S	.	.	H	α-helix	trans	-63.1	-45.4	171.7	-164	86.7	0	0	0	111.7	I455 M481 G482 T487 L488 C489	I455-L485 HydrophobicContact CD1-CD1 4.15Å; M481-L485 WeakPolarHBondContact O-CB 3.4Å; M481-L485 PolarHBondContact O-N 3.47Å; G482-L485 PolarHBondContact O-N 3.39Å; L485-T487 VanDerWaalsContact C-N 3.31Å; L485-T487 PolarHBondContact O-N 3.43Å; L485-L488 WeakPolarHBondContact O-CB 3.15Å; L485-L488 PolarHBondContact O-N 2.99Å; L485-C489 PolarHBondContact O-N 3.4Å; L485-C489 PolarHBondContact O-SG 3.26Å
486	I	90.1	Very high	86.7	Confident	106 Å²	106	73.3 Å²	73.3	54%	0.544	37%	0.374	S	S	.	.	H	α-helix	trans	-60.8	-42	175.9	-67.9	165.5	0	0	0	110.3	G482 L483 L488 C489 T490	G482-I486 VanDerWaalsContact O-CG1 3.32Å; G482-I486 WeakPolarHBondContact O-CG1 3.48Å; G482-I486 PolarHBondContact O-N 2.85Å; L483-I486 PolarHBondContact O-N 2.86Å; I486-L488 VanDerWaalsContact C-N 3.34Å; I486-L488 PolarHBondContact O-N 2.96Å; I486-C489 PolarHBondContact O-N 3.02Å; I486-T490 WeakPolarHBondContact O-CB 3.43Å; I486-T490 PolarHBondContact O-N 2.97Å; I486-T490 PolarHBondContact O-OG1 2.89Å
487	T	89	Confident	86.4	Confident	53 Å²	53	71 Å²	71	33%	0.325	37%	0.366	S	S	.	.	H	α-helix	trans	-64.9	-35.7	176.1	55.4	0	0	0	0	112.9	L483 T484 L485 T490 W491	L483-T487 WeakPolarHBondContact O-CG2 3.3Å; L483-T487 PolarHBondContact O-N 2.84Å; L483-T487 PolarHBondContact O-OG1 3.43Å; T484-T487 VanDerWaalsContact C-OG1 3.3Å; T484-T487 VanDerWaalsContact CA-OG1 3.25Å; T484-T487 WeakPolarHBondContact CA-OG1 3.38Å; T484-T487 PolarHBondContact O-N 2.8Å; T484-T487 PolarHBondContact O-OG1 2.94Å; L485-T487 VanDerWaalsContact C-N 3.31Å; L485-T487 PolarHBondContact O-N 3.43Å; T487-T490 PolarHBondContact O-N 3.03Å; T487-W491 VanDerWaalsContact O-CB 3.27Å; T487-W491 WeakPolarHBondContact O-CB 3.2Å; T487-W491 PolarHBondContact O-N 3.26Å
488	L	88.2	Confident	85.8	Confident	23 Å²	23	72 Å²	72	12%	0.12	38%	0.379	C	S	.	.	H	α-helix	trans	-65.4	-46.6	174.5	-175.9	81.4	0	0	0	111.2	P448 L451 F452 I455 T484 L485 I486 T490 W491 A492	P448-L488 HydrophobicContact CB-CD1 4.23Å; L451-L488 HydrophobicContact CB-CD1 3.89Å; L451-L488 HydrophobicContact CD1-CB 4.29Å; L451-L488 HydrophobicContact CD1-CD1 3.92Å; F452-L488 HydrophobicContact CD2-CD1 4.43Å; F452-L488 HydrophobicContact CD2-CD2 4.49Å; F452-L488 HydrophobicContact CE2-CD1 4.39Å; F452-L488 HydrophobicContact CE2-CD2 3.97Å; F452-L488 HydrophobicContact CZ-CD2 4.03Å; I455-L488 HydrophobicContact CD1-CD2 4.48Å; T484-L488 PolarHBondContact O-N 3Å; L485-L488 WeakPolarHBondContact O-CB 3.15Å; L485-L488 PolarHBondContact O-N 2.99Å; I486-L488 VanDerWaalsContact C-N 3.34Å; I486-L488 PolarHBondContact O-N 2.96Å; L488-T490 VanDerWaalsContact C-N 3.33Å; L488-T490 PolarHBondContact O-N 3.24Å; L488-W491 PolarHBondContact O-N 3.08Å; L488-A492 WeakPolarHBondContact O-CB 3.3Å; L488-A492 PolarHBondContact O-N 2.64Å
489	C	88.7	Confident	85.2	Confident	79 Å²	79	73.5 Å²	73.5	53%	0.534	38%	0.383	S	S	.	.	H	α-helix	trans	-62.5	-41.2	176.3	-69.2	0	0	0	0	111.7	L485 I486 A492 Y493	L485-C489 PolarHBondContact O-N 3.4Å; L485-C489 PolarHBondContact O-SG 3.26Å; I486-C489 PolarHBondContact O-N 3.02Å; C489-A492 PolarHBondContact O-N 3.38Å; C489-Y493 WeakPolarHBondContact O-CB 3.22Å; C489-Y493 PolarHBondContact O-N 2.86Å
490	T	87.6	Confident	84.7	Confident	54 Å²	54	75.7 Å²	75.7	33%	0.331	39%	0.387	S	S	.	.	H	α-helix	trans	-64.6	-44	176.9	-54.8	0	0	0	0	110.8	I486 T487 L488 Y493 I494	I486-T490 WeakPolarHBondContact O-CB 3.43Å; I486-T490 PolarHBondContact O-N 2.97Å; I486-T490 PolarHBondContact O-OG1 2.89Å; T487-T490 PolarHBondContact O-N 3.03Å; L488-T490 VanDerWaalsContact C-N 3.33Å; L488-T490 PolarHBondContact O-N 3.24Å; T490-Y493 PolarHBondContact O-N 2.86Å; T490-I494 HydrophobicContact CG2-CD1 3.86Å; T490-I494 WeakPolarHBondContact O-CB 3.27Å; T490-I494 VanDerWaalsContact O-CG1 3.23Å; T490-I494 WeakPolarHBondContact O-CG1 3.31Å; T490-I494 PolarHBondContact O-N 3.02Å
491	W	87.4	Confident	84.2	Confident	29 Å²	29	82.1 Å²	82.1	11%	0.11	41%	0.407	C	S	.	.	H	α-helix	trans	-62.2	-43.7	175.1	-179.7	91.2	0	0	0	112.2	T447 P448 T487 L488 Y493 I494 R495 I507 D508	T447-W491 HydrophobicContact CG2-CD2 4.32Å; T447-W491 HydrophobicContact CG2-CG 4.25Å; T447-W491 HydrophobicContact CG2-CZ2 4.48Å; P448-W491 HydrophobicContact CB-CH2 4.3Å; P448-W491 HydrophobicContact CB-CZ3 4.01Å; P448-W491 VanDerWaalsContact CD-CH2 3.49Å; P448-W491 HydrophobicContact CG-CH2 3.65Å; P448-W491 HydrophobicContact CG-CZ2 4.38Å; P448-W491 HydrophobicContact CG-CZ3 3.86Å; T487-W491 VanDerWaalsContact O-CB 3.27Å; T487-W491 WeakPolarHBondContact O-CB 3.2Å; T487-W491 PolarHBondContact O-N 3.26Å; L488-W491 PolarHBondContact O-N 3.08Å; W491-Y493 PolarHBondContact O-N 3.48Å; W491-I494 PolarHBondContact O-N 3.11Å; W491-R495 HydrophobicContact CD2-CG 4.17Å; W491-R495 HydrophobicContact CE3-CG 4.47Å; W491-R495 HydrophobicContact CH2-CG 4.16Å; W491-R495 HydrophobicContact CZ2-CG 3.86Å; W491-R495 HydrophobicContact CZ3-CG 4.46Å; W491-R495 WeakPolarHBondContact O-CB 3.43Å; W491-R495 WeakPolarHBondContact O-CG 3.28Å; W491-R495 PolarHBondContact O-N 3.32Å; W491-I507 HydrophobicContact CB-CD1 4.38Å; W491-I507 HydrophobicContact CB-CG2 4.27Å; W491-I507 HydrophobicContact CG-CG2 4.3Å; W491-D508 PolarHBondContact NE1-OD1 3.45Å
492	A	83.8	Confident	83.9	Confident	50 Å²	50	88.2 Å²	88.2	41%	0.413	44%	0.435	S	S	.	.	H	α-helix	trans	-63.2	-41.5	176.7	0	0	0	0	0	111.8	L488 C489 R495 Y496	L488-A492 WeakPolarHBondContact O-CB 3.3Å; L488-A492 PolarHBondContact O-N 2.64Å; C489-A492 PolarHBondContact O-N 3.38Å; A492-R495 PolarHBondContact O-N 3.29Å; A492-Y496 VanDerWaalsContact O-CB 3.31Å; A492-Y496 WeakPolarHBondContact O-CB 3.33Å; A492-Y496 PolarHBondContact O-N 2.98Å
493	Y	85.1	Confident	83.6	Confident	129 Å²	129	91.6 Å²	91.6	51%	0.506	45%	0.445	S	S	.	.	H	α-helix	trans	-63.4	-45.8	174.7	177.4	-98	0	0	0	112.1	C489 T490 W491 R495 Y496 S497	C489-Y493 WeakPolarHBondContact O-CB 3.22Å; C489-Y493 PolarHBondContact O-N 2.86Å; T490-Y493 PolarHBondContact O-N 2.86Å; W491-Y493 PolarHBondContact O-N 3.48Å; Y493-R495 VanDerWaalsContact C-N 3.34Å; Y493-R495 PolarHBondContact O-N 3.36Å; Y493-Y496 PolarHBondContact O-N 3.11Å; Y493-S497 VanDerWaalsContact O-CB 3.29Å; Y493-S497 WeakPolarHBondContact O-CB 3.44Å; Y493-S497 PolarHBondContact O-N 2.86Å; Y493-S497 PolarHBondContact O-OG 3.48Å
494	I	85.4	Confident	83.1	Confident	13 Å²	13	87 Å²	87	7%	0.067	42%	0.423	C	S	.	.	H	α-helix	trans	-61.4	-42.4	177.4	-71.8	166.2	0	0	0	110.9	T490 W491 G498 E499 L503 I507	T490-I494 HydrophobicContact CG2-CD1 3.86Å; T490-I494 WeakPolarHBondContact O-CB 3.27Å; T490-I494 VanDerWaalsContact O-CG1 3.23Å; T490-I494 WeakPolarHBondContact O-CG1 3.31Å; T490-I494 PolarHBondContact O-N 3.02Å; W491-I494 PolarHBondContact O-N 3.11Å; I494-G498 WeakPolarHBondContact O-CA 3.28Å; I494-G498 PolarHBondContact O-N 3.36Å; I494-E499 WeakPolarHBondContact CG2-O 3.48Å; I494-L503 HydrophobicContact CD1-CB 4.23Å; I494-I507 HydrophobicContact CD1-CD1 4.42Å
495	R	80.5	Confident	82.7	Confident	141 Å²	141	88.5 Å²	88.5	53%	0.532	44%	0.437	S	S	.	.	H	α-helix	trans	-68.6	-33.5	178	-78.4	-72	-176.6	172.1	-2.6	113.1	W491 A492 Y493 D508	W491-R495 HydrophobicContact CD2-CG 4.17Å; W491-R495 HydrophobicContact CE3-CG 4.47Å; W491-R495 HydrophobicContact CH2-CG 4.16Å; W491-R495 HydrophobicContact CZ2-CG 3.86Å; W491-R495 HydrophobicContact CZ3-CG 4.46Å; W491-R495 WeakPolarHBondContact O-CB 3.43Å; W491-R495 WeakPolarHBondContact O-CG 3.28Å; W491-R495 PolarHBondContact O-N 3.32Å; A492-R495 PolarHBondContact O-N 3.29Å; Y493-R495 VanDerWaalsContact C-N 3.34Å; Y493-R495 PolarHBondContact O-N 3.36Å; R495-D508 IonicContact NH2-OD2 3.96Å; R495-D508 PolarHBondContact NH2-OD2 3.22Å
496	Y	77.8	Confident	82.5	Confident	216 Å²	216	88.1 Å²	88.1	85%	0.847	44%	0.438	S	S	*	.	H	α-helix	trans	-80	-44.1	178.4	-176.9	-100.3	0	0	0	113	A492 Y493	A492-Y496 VanDerWaalsContact O-CB 3.31Å; A492-Y496 WeakPolarHBondContact O-CB 3.33Å; A492-Y496 PolarHBondContact O-N 2.98Å; Y493-Y496 PolarHBondContact O-N 3.11Å
497	S	81.3	Confident	82.3	Confident	45 Å²	45	84.2 Å²	84.2	32%	0.315	42%	0.418	S	S	.	.	H	α-helix	trans	-81.9	-29	-177.4	63	0	0	0	0	113.5	Y493 E499	Y493-S497 VanDerWaalsContact O-CB 3.29Å; Y493-S497 WeakPolarHBondContact O-CB 3.44Å; Y493-S497 PolarHBondContact O-N 2.86Å; Y493-S497 PolarHBondContact O-OG 3.48Å; S497-E499 PolarHBondContact O-N 3.21Å; S497-E499 PolarHBondContact OG-N 2.84Å
498	G	72.6	Confident	82	Confident	35 Å²	35	83.5 Å²	83.5	36%	0.361	41%	0.412	S	S	.	.			trans	76.3	-1	-174.3	0	0	0	0	0	114.9	I494	I494-G498 WeakPolarHBondContact O-CA 3.28Å; I494-G498 PolarHBondContact O-N 3.36Å
499	E	73.4	Confident	81.8	Confident	107 Å²	107	89.2 Å²	89.2	50%	0.5	44%	0.438	S	S	.	.			trans	-81.9	153.3	175	-65.7	-170.2	163.8	0	0	111.6	I494 S497 R501	I494-E499 WeakPolarHBondContact CG2-O 3.48Å; S497-E499 PolarHBondContact O-N 3.21Å; S497-E499 PolarHBondContact OG-N 2.84Å; E499-R501 PolarHBondContact O-N 3.22Å
500	Y	79.9	Confident	81.6	Confident	160 Å²	160	89.3 Å²	89.3	63%	0.627	44%	0.436	S	S	*	.			trans	58	44.2	177.7	-53.7	-83.3	0	0	0	115.4	E502 L503 G504	Y500-E502 VanDerWaalsContact C-N 3.26Å; Y500-E502 PolarHBondContact O-N 2.81Å; Y500-L503 WeakPolarHBondContact O-CB 3.35Å; Y500-L503 PolarHBondContact O-N 3Å; Y500-L503 VanDerWaalsContact O-N 3.07Å; Y500-G504 PolarHBondContact O-N 3.09Å
501	R	75.9	Confident	81.4	Confident	198 Å²	198	86.9 Å²	86.9	75%	0.747	42%	0.421	S	S	*	.	H	α-helix	trans	-54.1	-35.5	179.3	-78.9	-177.7	165	150.8	-2	114.8	E499 L503 G504 A505	E499-R501 PolarHBondContact O-N 3.22Å; R501-L503 VanDerWaalsContact C-N 3.33Å; R501-L503 PolarHBondContact O-N 3.01Å; R501-G504 PolarHBondContact O-N 2.8Å; R501-A505 PolarHBondContact O-N 3.32Å
502	E	80.6	Confident	81.1	Confident	172 Å²	172	86.8 Å²	86.8	80%	0.804	43%	0.427	S	S	*	.	H	α-helix	trans	-62.8	-40	178	-64.4	-174.7	173.6	0	0	112	Y500 A505 V506	Y500-E502 VanDerWaalsContact C-N 3.26Å; Y500-E502 PolarHBondContact O-N 2.81Å; E502-A505 WeakPolarHBondContact O-CB 3.19Å; E502-A505 PolarHBondContact O-N 2.81Å; E502-V506 WeakPolarHBondContact O-CG2 3.39Å; E502-V506 PolarHBondContact O-N 2.92Å; E502-V506 VanDerWaalsContact O-N 3.14Å
503	L	81.1	Confident	81	Confident	101 Å²	101	86.7 Å²	86.7	53%	0.529	43%	0.426	S	S	.	.	H	α-helix	trans	-68.5	-37.6	177.3	-127.4	138.9	0	0	0	111.1	I494 Y500 R501 V506 I507	I494-L503 HydrophobicContact CD1-CB 4.23Å; Y500-L503 WeakPolarHBondContact O-CB 3.35Å; Y500-L503 PolarHBondContact O-N 3Å; Y500-L503 VanDerWaalsContact O-N 3.07Å; R501-L503 VanDerWaalsContact C-N 3.33Å; R501-L503 PolarHBondContact O-N 3.01Å; L503-V506 PolarHBondContact O-N 3.4Å; L503-I507 WeakPolarHBondContact O-CG1 3.38Å; L503-I507 PolarHBondContact O-N 2.9Å; L503-I507 VanDerWaalsContact O-N 3.14Å
504	G	79.6	Confident	80.8	Confident	6 Å²	6	83.9 Å²	83.9	6%	0.062	42%	0.419	C	S	.	.	H	α-helix	trans	-60.8	-40.8	170.9	0	0	0	0	0	113.1	Y500 R501 I507 D508	Y500-G504 PolarHBondContact O-N 3.09Å; R501-G504 PolarHBondContact O-N 2.8Å; G504-I507 PolarHBondContact O-N 3.14Å; G504-D508 PolarHBondContact O-N 2.9Å
505	A	80.8	Confident	80.6	Confident	51 Å²	51	87.4 Å²	87.4	42%	0.421	43%	0.432	S	S	.	.	H	α-helix	trans	-65.8	-37.3	177.8	0	0	0	0	0	112.7	R501 E502 D508 Q509	R501-A505 PolarHBondContact O-N 3.32Å; E502-A505 WeakPolarHBondContact O-CB 3.19Å; E502-A505 PolarHBondContact O-N 2.81Å; A505-D508 PolarHBondContact O-N 3.36Å; A505-Q509 PolarHBondContact O-N 2.88Å
506	V	84.8	Confident	80.4	Confident	83 Å²	83	84.9 Å²	84.9	50%	0.503	43%	0.429	S	S	.	.	H	α-helix	trans	-64.9	-43.7	174.3	175.1	0	0	0	0	111	E502 L503 D508 Q509 V510	E502-V506 WeakPolarHBondContact O-CG2 3.39Å; E502-V506 PolarHBondContact O-N 2.92Å; E502-V506 VanDerWaalsContact O-N 3.14Å; L503-V506 PolarHBondContact O-N 3.4Å; V506-D508 VanDerWaalsContact C-N 3.34Å; V506-D508 PolarHBondContact O-N 3.24Å; V506-Q509 PolarHBondContact O-N 3.11Å; V506-V510 WeakPolarHBondContact O-CG2 3.47Å; V506-V510 PolarHBondContact O-N 2.8Å
507	I	84.5	Confident	80.3	Confident	24 Å²	24	81.2 Å²	81.2	12%	0.123	42%	0.42	C	S	.	.	H	α-helix	trans	-61.2	-44.6	176	-64.5	167	0	0	0	110.5	T447 W491 I494 L503 G504 Q509 V510 A511	T447-I507 HydrophobicContact CG2-CG2 4.05Å; W491-I507 HydrophobicContact CB-CD1 4.38Å; W491-I507 HydrophobicContact CB-CG2 4.27Å; W491-I507 HydrophobicContact CG-CG2 4.3Å; I494-I507 HydrophobicContact CD1-CD1 4.42Å; L503-I507 WeakPolarHBondContact O-CG1 3.38Å; L503-I507 PolarHBondContact O-N 2.9Å; L503-I507 VanDerWaalsContact O-N 3.14Å; G504-I507 PolarHBondContact O-N 3.14Å; I507-Q509 VanDerWaalsContact C-N 3.34Å; I507-Q509 PolarHBondContact O-N 3.05Å; I507-V510 PolarHBondContact O-N 3.1Å; I507-A511 VanDerWaalsContact O-CB 3.29Å; I507-A511 WeakPolarHBondContact O-CB 3.49Å; I507-A511 PolarHBondContact O-N 3.41Å
508	D	83.3	Confident	79.7	Confident	38 Å²	38	81.3 Å²	81.3	20%	0.203	42%	0.423	C	S	.	.	H	α-helix	trans	-61	-39.8	176.9	-76.2	-20.7	0	0	0	111.7	T447 W491 R495 G504 A505 V506 A512	T447-D508 VanDerWaalsContact CB-OD1 3.23Å; T447-D508 WeakPolarHBondContact CB-OD1 3.49Å; T447-D508 VanDerWaalsContact CG2-OD1 3.27Å; T447-D508 WeakPolarHBondContact CG2-OD1 3.03Å; T447-D508 PolarHBondContact OG1-OD1 3.35Å; W491-D508 PolarHBondContact NE1-OD1 3.45Å; R495-D508 IonicContact NH2-OD2 3.96Å; R495-D508 PolarHBondContact NH2-OD2 3.22Å; G504-D508 PolarHBondContact O-N 2.9Å; A505-D508 PolarHBondContact O-N 3.36Å; V506-D508 VanDerWaalsContact C-N 3.34Å; V506-D508 PolarHBondContact O-N 3.24Å; D508-A512 WeakPolarHBondContact O-CB 3.24Å; D508-A512 PolarHBondContact O-N 3.15Å
509	Q	84.8	Confident	79.3	Confident	142 Å²	142	81 Å²	81	66%	0.664	41%	0.413	S	S	*	.	H	α-helix	trans	-66.1	-44.9	175.5	-80.5	-177.7	-4	0	0	113.1	A505 V506 I507 A512 A513	A505-Q509 PolarHBondContact O-N 2.88Å; V506-Q509 PolarHBondContact O-N 3.11Å; I507-Q509 VanDerWaalsContact C-N 3.34Å; I507-Q509 PolarHBondContact O-N 3.05Å; Q509-A512 PolarHBondContact O-N 2.73Å; Q509-A513 PolarHBondContact O-N 3.05Å
510	V	84.4	Confident	79	Confident	82 Å²	82	83.1 Å²	83.1	50%	0.497	42%	0.418	S	S	.	.	H	α-helix	trans	-64.5	-42.7	178.6	172.9	0	0	0	0	110.6	V506 I507 A512 A513 L514	V506-V510 WeakPolarHBondContact O-CG2 3.47Å; V506-V510 PolarHBondContact O-N 2.8Å; I507-V510 PolarHBondContact O-N 3.1Å; V510-A512 PolarHBondContact O-N 3.01Å; V510-A513 PolarHBondContact O-N 3.22Å; V510-L514 HydrophobicContact CG1-CD1 4.1Å; V510-L514 WeakPolarHBondContact O-CG 3.07Å; V510-L514 PolarHBondContact O-N 3.23Å
511	A	82.8	Confident	78.3	Confident	2 Å²	2	82.1 Å²	82.1	2%	0.017	42%	0.417	C	S	.	.	H	α-helix	trans	-61.8	-40.9	174.9	0	0	0	0	0	112.5	T447 T450 I507 L514 W515	T447-A511 HydrophobicContact CG2-CB 3.69Å; T450-A511 WeakPolarHBondContact CG2-O 3.42Å; T450-A511 WeakPolarHBondContact OG1-CB 3.48Å; I507-A511 VanDerWaalsContact O-CB 3.29Å; I507-A511 WeakPolarHBondContact O-CB 3.49Å; I507-A511 PolarHBondContact O-N 3.41Å; A511-L514 PolarHBondContact O-N 2.78Å; A511-W515 WeakPolarHBondContact O-CB 3.38Å; A511-W515 PolarHBondContact O-N 3.37Å
512	A	81.1	Confident	77.7	Confident	28 Å²	28	77.6 Å²	77.6	23%	0.231	41%	0.407	C	S	.	.	H	α-helix	trans	-62	-45.3	175.2	0	0	0	0	0	112	R446 D508 Q509 V510 L514 W515 D516	R446-A512 PolarHBondContact NH2-O 2.98Å; D508-A512 WeakPolarHBondContact O-CB 3.24Å; D508-A512 PolarHBondContact O-N 3.15Å; Q509-A512 PolarHBondContact O-N 2.73Å; V510-A512 PolarHBondContact O-N 3.01Å; A512-L514 PolarHBondContact O-N 3.36Å; A512-W515 WeakPolarHBondContact O-CB 3.33Å; A512-W515 PolarHBondContact O-N 3.36Å; A512-D516 PolarHBondContact O-N 3.15Å
513	A	81.9	Confident	76.9	Confident	48 Å²	48	77.7 Å²	77.7	40%	0.397	40%	0.401	S	S	.	.	H	α-helix	trans	-61.3	-41.8	176.3	0	0	0	0	0	112.3	Q509 V510 D516 Q517	Q509-A513 PolarHBondContact O-N 3.05Å; V510-A513 PolarHBondContact O-N 3.22Å; A513-D516 PolarHBondContact O-N 2.95Å; A513-Q517 WeakPolarHBondContact O-CB 3.39Å; A513-Q517 WeakPolarHBondContact O-CG 3.25Å; A513-Q517 PolarHBondContact O-N 3.39Å
514	L	80.9	Confident	75.9	Confident	69 Å²	69	75.6 Å²	75.6	36%	0.361	40%	0.395	S	S	.	.	H	α-helix	trans	-65.1	-40	175.7	-74.8	169.2	0	0	0	112.5	V510 A511 A512 A518	V510-L514 HydrophobicContact CG1-CD1 4.1Å; V510-L514 WeakPolarHBondContact O-CG 3.07Å; V510-L514 PolarHBondContact O-N 3.23Å; A511-L514 PolarHBondContact O-N 2.78Å; A512-L514 PolarHBondContact O-N 3.36Å; L514-A518 WeakPolarHBondContact O-CB 3.25Å; L514-A518 PolarHBondContact O-N 3.24Å
515	W	79.8	Confident	75	Confident	87 Å²	87	77.6 Å²	77.6	33%	0.33	41%	0.411	S	S	.	.	I	π-helix	trans	-59.1	-48.5	175.4	-171.4	-96.4	0	0	0	111.5	A449 T450 A511 A512 L519 Y520	A449-W515 HydrophobicContact CB-CZ3 4.49Å; T450-W515 HydrophobicContact CG2-CB 3.57Å; T450-W515 HydrophobicContact CG2-CD2 3.84Å; T450-W515 HydrophobicContact CG2-CE3 3.24Å; T450-W515 HydrophobicContact CG2-CG 4.03Å; T450-W515 HydrophobicContact CG2-CZ3 4.13Å; A511-W515 WeakPolarHBondContact O-CB 3.38Å; A511-W515 PolarHBondContact O-N 3.37Å; A512-W515 WeakPolarHBondContact O-CB 3.33Å; A512-W515 PolarHBondContact O-N 3.36Å; W515-L519 HydrophobicContact CD2-CB 4.35Å; W515-L519 HydrophobicContact CD2-CD1 4.46Å; W515-L519 HydrophobicContact CE3-CB 4.05Å; W515-L519 HydrophobicContact CE3-CD1 3.53Å; W515-L519 HydrophobicContact CE3-CG 4.38Å; W515-L519 HydrophobicContact CZ3-CD1 4.06Å; W515-L519 PolarHBondContact O-N 3.35Å; W515-Y520 PolarHBondContact O-N 3.39Å
516	D	78.1	Confident	74	Confident	88 Å²	88	78.1 Å²	78.1	47%	0.471	42%	0.415	S	S	.	.	I	π-helix	trans	-74.3	-35.1	-174.4	-67.5	-24.6	0	0	0	112.2	R446 A512 A513	R446-D516 IonicContact CZ-OD1 3.04Å; R446-D516 IonicContact NH2-OD1 3.89Å; R446-D516 PolarHBondContact NH2-OD1 3.22Å; R446-D516 IonicContact NH2-OD2 3.04Å; R446-D516 PolarHBondContact NH2-OD2 2.96Å; A512-D516 PolarHBondContact O-N 3.15Å; A513-D516 PolarHBondContact O-N 2.95Å
517	Q	75.7	Confident	72.6	Confident	139 Å²	139	76.2 Å²	76.2	65%	0.65	41%	0.408	S	S	*	.	I	π-helix	trans	-80.3	-43	-179.3	-73.2	-176	-5.6	0	0	114	A513 K521	A513-Q517 WeakPolarHBondContact O-CB 3.39Å; A513-Q517 WeakPolarHBondContact O-CG 3.25Å; A513-Q517 PolarHBondContact O-N 3.39Å; Q517-K521 WeakPolarHBondContact O-CD 3.48Å
518	A	67.8	Low	71.3	Confident	48 Å²	48	79.3 Å²	79.3	40%	0.397	43%	0.428	S	S	.	.	I	π-helix	trans	-108.3	-51.1	-168.8	0	0	0	0	0	112.6	L514 L522	L514-A518 WeakPolarHBondContact O-CB 3.25Å; L514-A518 PolarHBondContact O-N 3.24Å; A518-L522 WeakPolarHBondContact O-CB 3.35Å; A518-L522 WeakPolarHBondContact O-CD1 3.35Å; A518-L522 WeakPolarHBondContact O-CG 3.49Å; A518-L522 PolarHBondContact O-N 2.69Å
519	L	65.2	Low	69.8	Low	27 Å²	27	83.7 Å²	83.7	14%	0.141	45%	0.447	C	S	.	.	I	π-helix	trans	-76.3	-41.1	-170.9	-75.5	161.6	0	0	0	112.8	T450 V453 W515 K521 L522 Y523	T450-L519 HydrophobicContact CG2-CD1 4.21Å; V453-L519 HydrophobicContact CB-CD1 4.25Å; V453-L519 HydrophobicContact CB-CD2 3.92Å; V453-L519 HydrophobicContact CG1-CD2 3.33Å; V453-L519 HydrophobicContact CG2-CD2 4.39Å; W515-L519 HydrophobicContact CD2-CB 4.35Å; W515-L519 HydrophobicContact CD2-CD1 4.46Å; W515-L519 HydrophobicContact CE3-CB 4.05Å; W515-L519 HydrophobicContact CE3-CD1 3.53Å; W515-L519 HydrophobicContact CE3-CG 4.38Å; W515-L519 HydrophobicContact CZ3-CD1 4.06Å; W515-L519 PolarHBondContact O-N 3.35Å; L519-K521 VanDerWaalsContact C-N 3.33Å; L519-K521 PolarHBondContact O-N 3.37Å; L519-L522 PolarHBondContact O-N 3.39Å; L519-Y523 VanDerWaalsContact O-CB 3.26Å; L519-Y523 WeakPolarHBondContact O-CB 3.25Å; L519-Y523 PolarHBondContact O-N 3.17Å
520	Y	65.3	Low	68.1	Low	152 Å²	152	85.4 Å²	85.4	60%	0.596	45%	0.448	S	S	*	.	H	α-helix	trans	-63.4	-40.1	176.2	-169.7	-100.3	0	0	0	111.9	W515 Y523 S524	W515-Y520 PolarHBondContact O-N 3.39Å; Y520-Y523 PolarHBondContact O-N 2.81Å; Y520-S524 WeakPolarHBondContact O-CB 3.28Å; Y520-S524 PolarHBondContact O-N 3.49Å; Y520-S524 PolarHBondContact O-OG 3.26Å
521	K	66.4	Low	66.5	Low	139 Å²	139	88.8 Å²	88.8	60%	0.604	46%	0.457	S	S	*	.	H	α-helix	trans	-66.1	-46.2	175.6	-68.7	-169.8	-174.2	174.8	0	112.2	Q517 L519 Y523 S524 A525	Q517-K521 WeakPolarHBondContact O-CD 3.48Å; L519-K521 VanDerWaalsContact C-N 3.33Å; L519-K521 PolarHBondContact O-N 3.37Å; K521-Y523 PolarHBondContact O-N 3.44Å; K521-S524 WeakPolarHBondContact CA-OG 3.46Å; K521-S524 PolarHBondContact O-N 3.43Å; K521-S524 PolarHBondContact O-OG 3.31Å; K521-A525 WeakPolarHBondContact O-CB 3.29Å; K521-A525 PolarHBondContact O-N 3.23Å
522	L	62.3	Low	65	Low	104 Å²	104	93.8 Å²	93.8	55%	0.545	48%	0.483	S	S	.	.	H	α-helix	trans	-61.2	-42.6	175.3	-83.4	160.9	0	0	0	112.4	I457 A518 L519 A525 A526	I457-L522 HydrophobicContact CD1-CD1 4.5Å; A518-L522 WeakPolarHBondContact O-CB 3.35Å; A518-L522 WeakPolarHBondContact O-CD1 3.35Å; A518-L522 WeakPolarHBondContact O-CG 3.49Å; A518-L522 PolarHBondContact O-N 2.69Å; L519-L522 PolarHBondContact O-N 3.39Å; L522-A525 PolarHBondContact O-N 3.43Å; L522-A526 WeakPolarHBondContact O-CB 3.5Å; L522-A526 PolarHBondContact O-N 3.42Å
523	Y	63.7	Low	63.5	Low	173 Å²	173	100.3 Å²	100.3	68%	0.678	50%	0.503	S	S	*	.	H	α-helix	trans	-63.1	-45.6	176.2	-175.5	-95.1	0	0	0	111.7	L519 Y520 K521 A525 A526 A527	L519-Y523 VanDerWaalsContact O-CB 3.26Å; L519-Y523 WeakPolarHBondContact O-CB 3.25Å; L519-Y523 PolarHBondContact O-N 3.17Å; Y520-Y523 PolarHBondContact O-N 2.81Å; K521-Y523 PolarHBondContact O-N 3.44Å; Y523-A525 PolarHBondContact O-N 3.2Å; Y523-A526 PolarHBondContact O-N 2.94Å; Y523-A527 WeakPolarHBondContact O-CB 3.32Å; Y523-A527 PolarHBondContact O-N 3.18Å
524	S	60.7	Low	62	Low	57 Å²	57	104 Å²	104	40%	0.399	51%	0.512	S	S	.	.	H	α-helix	trans	-64.2	-37	177.8	71.2	0	0	0	0	113.2	Y520 K521 T528	Y520-S524 WeakPolarHBondContact O-CB 3.28Å; Y520-S524 PolarHBondContact O-N 3.49Å; Y520-S524 PolarHBondContact O-OG 3.26Å; K521-S524 WeakPolarHBondContact CA-OG 3.46Å; K521-S524 PolarHBondContact O-N 3.43Å; K521-S524 PolarHBondContact O-OG 3.31Å; S524-T528 PolarHBondContact O-N 2.9Å; S524-T528 VanDerWaalsContact O-N 3.1Å; S524-T528 PolarHBondContact O-OG1 3.21Å
525	A	60.7	Low	60.6	Low	48 Å²	48	108.6 Å²	108.6	40%	0.397	53%	0.532	S	S	.	.	H	α-helix	trans	-70.5	-39.5	175.6	0	0	0	0	0	112.6	K521 L522 Y523 T528 H529	K521-A525 WeakPolarHBondContact O-CB 3.29Å; K521-A525 PolarHBondContact O-N 3.23Å; L522-A525 PolarHBondContact O-N 3.43Å; Y523-A525 PolarHBondContact O-N 3.2Å; A525-T528 WeakPolarHBondContact CA-OG1 3.43Å; A525-T528 PolarHBondContact O-OG1 2.95Å; A525-T528 VanDerWaalsContact O-OG1 3.09Å; A525-H529 PolarHBondContact O-N 3.18Å
526	A	59	Low	59.3	Low	63 Å²	63	107.5 Å²	107.5	52%	0.521	54%	0.541	S	S	.	.	H	α-helix	trans	-68.1	-36.6	174.2	0	0	0	0	0	112.3	L522 Y523 H529 R530	L522-A526 WeakPolarHBondContact O-CB 3.5Å; L522-A526 PolarHBondContact O-N 3.42Å; Y523-A526 PolarHBondContact O-N 2.94Å; A526-H529 PolarHBondContact O-N 2.9Å; A526-R530 PolarHBondContact O-N 3.38Å; A526-R530 VanDerWaalsContact O-N 3.11Å
527	A	56.3	Low	57.8	Low	42 Å²	42	110.4 Å²	110.4	35%	0.347	55%	0.55	S	S	.	.	H	α-helix	trans	-68.7	-37	177	0	0	0	0	0	112.9	Y523 R530 H531	Y523-A527 WeakPolarHBondContact O-CB 3.32Å; Y523-A527 PolarHBondContact O-N 3.18Å; A527-R530 PolarHBondContact O-N 3.14Å; A527-H531 PolarHBondContact O-N 3.17Å
528	T	56.3	Low	56.4	Low	89 Å²	89	109.1 Å²	109.1	55%	0.546	55%	0.554	S	S	.	*	H	α-helix	trans	-67.2	-36.3	173.4	22.9	0	0	0	0	112.1	S524 A525 H531 L532	S524-T528 PolarHBondContact O-N 2.9Å; S524-T528 VanDerWaalsContact O-N 3.1Å; S524-T528 PolarHBondContact O-OG1 3.21Å; A525-T528 WeakPolarHBondContact CA-OG1 3.43Å; A525-T528 PolarHBondContact O-OG1 2.95Å; A525-T528 VanDerWaalsContact O-OG1 3.09Å; T528-H531 PolarHBondContact O-N 2.83Å; T528-L532 PolarHBondContact O-N 3.27Å
529	H	53.6	Low	55.1	Low	130 Å²	130	112.3 Å²	112.3	60%	0.602	57%	0.568	S	S	*	*	H	α-helix	trans	-66.6	-32.7	172.3	-94.6	-76.4	0	0	0	113.7	A525 A526 L532 Y533	A525-H529 PolarHBondContact O-N 3.18Å; A526-H529 PolarHBondContact O-N 2.9Å; H529-L532 PolarHBondContact O-N 3.26Å; H529-Y533 PolarHBondContact O-N 3.04Å
530	R	48	Very low	53.8	Low	179 Å²	179	117 Å²	117	68%	0.675	60%	0.6	S	S	*	*	H	α-helix	trans	-68	-33	176.8	-165	173.2	-177.5	164.2	0.5	112.8	A526 A527 H534	A526-R530 PolarHBondContact O-N 3.38Å; A526-R530 VanDerWaalsContact O-N 3.11Å; A527-R530 PolarHBondContact O-N 3.14Å; R530-H534 PolarHBondContact O-N 2.7Å
531	H	50.7	Low	52.6	Low	152 Å²	152	119.6 Å²	119.6	70%	0.704	62%	0.615	S	S	*	*	H	α-helix	trans	-69.4	-35.8	172.9	-95.2	-73.5	0	0	0	113	A527 T528 Q535	A527-H531 PolarHBondContact O-N 3.17Å; T528-H531 PolarHBondContact O-N 2.83Å; H531-Q535 PolarHBondContact O-N 3.34Å
532	L	51.3	Low	51.1	Low	107 Å²	107	118.3 Å²	118.3	56%	0.56	62%	0.623	S	S	*	*	H	α-helix	trans	-71	-37.2	174.6	-81.7	155.7	0	0	0	112.6	T528 H529 Q535 A536	T528-L532 PolarHBondContact O-N 3.27Å; H529-L532 PolarHBondContact O-N 3.26Å; L532-Q535 PolarHBondContact O-N 3.44Å; L532-A536 PolarHBondContact O-N 3.07Å; L532-A536 VanDerWaalsContact O-N 3.16Å
533	Y	49.3	Very low	49.9	Very low	166 Å²	166	122.4 Å²	122.4	65%	0.651	64%	0.639	S	S	*	*	H	α-helix	trans	-66.5	-37.4	177.9	-129.9	-89.3	0	0	0	112.7	H529 Q535 A536 F537	H529-Y533 PolarHBondContact O-N 3.04Å; Y533-Q535 VanDerWaalsContact C-N 3.3Å; Y533-Q535 PolarHBondContact O-N 3.28Å; Y533-A536 PolarHBondContact O-N 3.36Å; Y533-F537 HydrophobicContact CE1-CD2 4.39Å; Y533-F537 PolarHBondContact O-N 3.48Å
534	H	51.3	Low	48.3	Very low	126 Å²	126	119 Å²	119	58%	0.583	64%	0.641	S	S	*	*	H	α-helix	trans	-70.7	-20.7	175.2	-91.6	-64.7	0	0	0	114	R530	R530-H534 PolarHBondContact O-N 2.7Å
535	Q	52.2	Low	47	Very low	165 Å²	165	122 Å²	122	77%	0.771	66%	0.657	S	S	*	*	H	α-helix	trans	-83.5	-28.7	171.1	-81.1	-175.8	-23.9	0	0	113	H531 L532 Y533	H531-Q535 PolarHBondContact O-N 3.34Å; L532-Q535 PolarHBondContact O-N 3.44Å; Y533-Q535 VanDerWaalsContact C-N 3.3Å; Y533-Q535 PolarHBondContact O-N 3.28Å
536	A	51.7	Low	45.9	Very low	64 Å²	64	129 Å²	129	53%	0.529	68%	0.682	S	S	.	*	H	α-helix	trans	-83.7	-25.5	-177.2	0	0	0	0	0	114.2	L532 Y533	L532-A536 PolarHBondContact O-N 3.07Å; L532-A536 VanDerWaalsContact O-N 3.16Å; Y533-A536 PolarHBondContact O-N 3.36Å
537	F	47	Very low	44.7	Very low	148 Å²	148	134.2 Å²	134.2	65%	0.649	70%	0.695	S	S	*	*			trans	-138.8	95.7	178.2	-66.7	-80.9	0	0	0	111.6	Y533 T539	Y533-F537 HydrophobicContact CE1-CD2 4.39Å; Y533-F537 PolarHBondContact O-N 3.48Å; F537-T539 PolarHBondContact O-N 3.3Å
538	P	44.7	Very low	43.6	Very low	113 Å²	113	137.4 Å²	137.4	73%	0.734	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-73	120.1	171.9	27.4	-29.7	0	0	0	110
539	T	41.6	Very low	42.6	Very low	115 Å²	115	139.5 Å²	139.5	71%	0.706	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-66.1	137.2	167.4	43.4	0	0	0	0	110.2	F537 K541	F537-T539 PolarHBondContact O-N 3.3Å; T539-K541 PolarHBondContact O-N 3.43Å
540	P	38.6	Very low	42.1	Very low	124 Å²	124	143.8 Å²	143.8	81%	0.805	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-66.5	133.3	179.4	26.8	-31.9	0	0	0	110.7	S542	P540-S542 PolarHBondContact O-N 3.16Å
541	K	40	Very low	41.5	Very low	208 Å²	208	141.6 Å²	141.6	90%	0.904	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-60.4	120.1	173.3	-76.2	178.2	173.8	179.4	0	109.6	T539 E543	T539-K541 PolarHBondContact O-N 3.43Å; K541-E543 PolarHBondContact O-N 3.05Å
542	S	33.2	Very low	40.8	Very low	111 Å²	111	142.9 Å²	142.9	78%	0.776	73%	0.734	S	S	*	*			trans	-79.4	106.5	159.3	56.3	0	0	0	0	108.6	P540 S544	P540-S542 PolarHBondContact O-N 3.16Å; S542-S544 PolarHBondContact O-N 3.1Å
543	E	38.2	Very low	40.3	Very low	190 Å²	190	150.3 Å²	150.3	89%	0.888	77%	0.769	S	S	*	*			trans	-60.7	125.7	158.6	-75	177.3	150.9	0	0	109	K541	K541-E543 PolarHBondContact O-N 3.05Å
544	S	30.3	Very low	39.9	Very low	102 Å²	102	149.5 Å²	149.5	71%	0.713	78%	0.775	S	S	*	*			trans	-170.9	119.9	144.9	42	0	0	0	0	112.1	S542	S542-S544 PolarHBondContact O-N 3.1Å
545	T	32.7	Very low	39.3	Very low	120 Å²	120	150.7 Å²	150.7	74%	0.736	79%	0.785	S	S	*	*			trans	82.5	70.6	146.3	10.6	0	0	0	0	119.9	Q547	T545-Q547 PolarHBondContact O-N 3.24Å
546	E	38.5	Very low	38.6	Very low	195 Å²	195	149.9 Å²	149.9	91%	0.911	79%	0.786	S	S	*	*				-66.2	98.8	126.4	-88	-177.6	147.8	0	0	108.3
547	Q	33.8	Very low	37.8	Very low	173 Å²	173	155 Å²	155	81%	0.808	80%	0.801	S	S	*	*			trans	171.5	93.8	153.2	-100	171.6	14.6	0	0	109.4	T545	T545-Q547 PolarHBondContact O-N 3.24Å
548	S	33.3	Very low	37.2	Very low	109 Å²	109	155.4 Å²	155.4	76%	0.762	81%	0.811	S	S	*	*			trans	-172.8	103.5	139.5	32.3	0	0	0	0	110.5
549	E	35.4	Very low	36.7	Very low	132 Å²	132	158.3 Å²	158.3	62%	0.617	82%	0.816	S	S	*	*			trans	66.9	109.9	138.9	-57.9	-171.1	154.3	0	0	117.2	K551	E549-K551 HydrophobicContact CB-CB 4.03Å; E549-K551 HydrophobicContact CB-CG 4.4Å; E549-K551 HydrophobicContact CG-CB 4.3Å; E549-K551 HydrophobicContact CG-CD 4.4Å; E549-K551 HydrophobicContact CG-CG 4.18Å; E549-K551 VanDerWaalsContact OE1-CD 3.27Å; E549-K551 WeakPolarHBondContact OE1-CD 3.25Å; E549-K551 VanDerWaalsContact OE1-CE 3.28Å; E549-K551 WeakPolarHBondContact OE1-CE 3.33Å; E549-K551 IonicContact OE1-NZ 3.66Å; E549-K551 PolarHBondContact OE1-NZ 3.29Å
550	K	42.3	Very low	36.4	Very low	220 Å²	220	161.4 Å²	161.4	96%	0.957	82%	0.824	S	S	*	*			cis	28.3	55.6	30.9	-87.2	-168.3	-179.8	178.7	0	113.3
551	K	36	Very low	36.2	Very low	134 Å²	134	164.2 Å²	164.2	58%	0.583	83%	0.825	S	S	*	*			trans	-142.8	119.2	150.7	-91.3	-168.7	-169.9	142	0	110.6	E549	E549-K551 HydrophobicContact CB-CB 4.03Å; E549-K551 HydrophobicContact CB-CG 4.4Å; E549-K551 HydrophobicContact CG-CB 4.3Å; E549-K551 HydrophobicContact CG-CD 4.4Å; E549-K551 HydrophobicContact CG-CG 4.18Å; E549-K551 VanDerWaalsContact OE1-CD 3.27Å; E549-K551 WeakPolarHBondContact OE1-CD 3.25Å; E549-K551 VanDerWaalsContact OE1-CE 3.28Å; E549-K551 WeakPolarHBondContact OE1-CE 3.33Å; E549-K551 IonicContact OE1-NZ 3.66Å; E549-K551 PolarHBondContact OE1-NZ 3.29Å
552	K	36.4	Very low	35.9	Very low	178 Å²	178	160.6 Å²	160.6	77%	0.774	82%	0.818	S	S	*	*			trans	81.9	111.9	141.2	-65.2	178.4	174.7	-174.3	0	118.6
553	M	40.5	Very low	36.1	Very low	263 Å²	263	165.1 Å²	165.1	100%	1.296	82%	0.822	S	S	*	*			trans	59.8	0	136.9	-69.6	-179.9	89.2	0	0	118.7

Retrieved 553 of 553 residues in 1465.5 ms (Link to these results)

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