A0A3B3VXB9_9TELE Loading...

Translation initiation factor eIF2B subunit delta

Acts as a component of the translation initiation factor 2B (eIF2B) complex, which catalyzes the exchange of GDP for GTP on eukaryotic initiation factor 2 (eIF2) gamma subunit. Its guanine nucleotide exchange factor activity is repressed when bound to eIF2 complex phosphorylated on the alpha subunit, thereby limiting the amount of methionyl-initiator methionine tRNA available to the ribosome and consequently global translation is repressed.

AlphaFold DB , UniProt , Accession A0A3B3VXB9, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 535 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	33.6	Very low	241 Å²	241	126.4 Å²	126.4	100%	1.187	78%	0.778	S	S	*	*				0	101.4	0	-66.2	171.1	176.4	0	0	105
2	A	29.3	Very low	34.5	Very low	91 Å²	91	127.1 Å²	127.1	75%	0.752	76%	0.762	S	S	*	*				69.2	102.3	88.5	0	0	0	0	0	109.2
3	D	27.7	Very low	35.1	Very low	161 Å²	161	128.7 Å²	128.7	86%	0.861	75%	0.753	S	S	*	*				82.6	143.7	89.1	-157.2	33.9	0	0	0	109.1
4	S	30.4	Very low	35.4	Very low	103 Å²	103	122.4 Å²	122.4	72%	0.72	73%	0.729	S	S	*	*			cis	-153.6	169.6	14.8	55.5	0	0	0	0	109.8
5	G	28.5	Very low	36	Very low	69 Å²	69	121.5 Å²	121.5	71%	0.711	72%	0.719	S	S	*	*			trans	160.9	16.9	168.9	0	0	0	0	0	121.4
6	V	35.3	Very low	36.8	Very low	145 Å²	145	120.3 Å²	120.3	88%	0.879	71%	0.707	S	S	*	*			trans	-132.3	65.3	176.7	-168.4	0	0	0	0	111.8
7	T	35.6	Very low	37.3	Very low	125 Å²	125	121.9 Å²	121.9	77%	0.767	71%	0.706	S	S	*	*			trans	-145.7	77.3	-179.2	51	0	0	0	0	113.2
8	D	37.3	Very low	37.5	Very low	110 Å²	110	125.2 Å²	125.2	59%	0.588	71%	0.705	S	S	*	*	S	Bend	trans	-152.3	2.7	158	-162.7	1.9	0	0	0	112.6	K12	D8-K12 IonicContact OD1-NZ 2.82Å; D8-K12 PolarHBondContact OD1-NZ 3.3Å
9	G	36.2	Very low	38	Very low	69 Å²	69	121.7 Å²	121.7	71%	0.711	69%	0.693	S	S	*	*	S	Bend	trans	-94.3	-17.7	-178.6	0	0	0	0	0	115.3
10	N	37.9	Very low	38.3	Very low	130 Å²	130	123.8 Å²	123.8	70%	0.695	69%	0.694	S	S	*	*	S	Bend	trans	-110.9	-25.8	-164.1	-142.4	24	0	0	0	114.5	K12 K13	N10-K12 PolarHBondContact O-N 3.27Å; N10-K13 PolarHBondContact O-N 3.32Å
11	E	37.3	Very low	38.4	Very low	146 Å²	146	122.4 Å²	122.4	68%	0.682	69%	0.693	S	S	*	*	H	α-helix	trans	-66.4	-40	179.8	-62.9	-173	146	0	0	111.8	K13 G14	E11-K13 PolarHBondContact O-N 3.22Å; E11-G14 PolarHBondContact O-N 3.43Å; E11-G14 VanDerWaalsContact O-N 3.11Å
12	K	44.4	Very low	38.9	Very low	135 Å²	135	117.5 Å²	117.5	59%	0.587	67%	0.667	S	S	*	*	H	α-helix	trans	-66.5	-7.2	177.7	-69.9	168.8	-174.2	129.4	0	114.9	D8 N10 I16	D8-K12 IonicContact OD1-NZ 2.82Å; D8-K12 PolarHBondContact OD1-NZ 3.3Å; N10-K12 PolarHBondContact O-N 3.27Å; K12-I16 VanDerWaalsContact O-CD1 3.27Å; K12-I16 WeakPolarHBondContact O-CD1 3.49Å; K12-I16 WeakPolarHBondContact O-CG1 3.46Å
13	K	41.9	Very low	39.7	Very low	148 Å²	148	116.6 Å²	116.6	64%	0.643	67%	0.667	S	S	*	*	H	α-helix	trans	-89.6	-37.9	170.2	-92.1	-176.5	173.6	-179.8	0	112.7	N10 E11 D15 I16	N10-K13 PolarHBondContact O-N 3.32Å; E11-K13 PolarHBondContact O-N 3.22Å; K13-D15 PolarHBondContact O-N 3.22Å; K13-I16 PolarHBondContact O-N 3.02Å
14	G	39.2	Very low	40.5	Very low	41 Å²	41	117.2 Å²	117.2	42%	0.423	66%	0.662	S	S	.	*	H	α-helix	trans	-61.8	-43.4	-178.3	0	0	0	0	0	112.9	E11 I16 E17 R18	E11-G14 PolarHBondContact O-N 3.43Å; E11-G14 VanDerWaalsContact O-N 3.11Å; G14-I16 VanDerWaalsContact C-N 3.29Å; G14-I16 PolarHBondContact O-N 2.86Å; G14-E17 PolarHBondContact O-N 3.11Å; G14-R18 PolarHBondContact O-N 3.05Å
15	D	44.4	Very low	41.2	Very low	109 Å²	109	120.8 Å²	120.8	58%	0.583	67%	0.667	S	S	*	*	H	α-helix	trans	-66.3	-29.1	-178.3	-68.4	-27.8	0	0	0	113.4	K13 E17 A19	K13-D15 PolarHBondContact O-N 3.22Å; D15-E17 VanDerWaalsContact C-N 3.34Å; D15-A19 WeakPolarHBondContact O-CB 3.33Å; D15-A19 PolarHBondContact O-N 3.46Å
16	I	49.6	Very low	42.8	Very low	102 Å²	102	121.4 Å²	121.4	52%	0.523	65%	0.653	S	S	.	*	H	α-helix	trans	-74.3	-27.3	179	-62.3	176.6	0	0	0	111.6	K12 K13 G14	K12-I16 VanDerWaalsContact O-CD1 3.27Å; K12-I16 WeakPolarHBondContact O-CD1 3.49Å; K12-I16 WeakPolarHBondContact O-CG1 3.46Å; K13-I16 PolarHBondContact O-N 3.02Å; G14-I16 VanDerWaalsContact C-N 3.29Å; G14-I16 PolarHBondContact O-N 2.86Å
17	E	44.6	Very low	44.7	Very low	148 Å²	148	118.1 Å²	118.1	69%	0.692	63%	0.634	S	S	*	*	H	α-helix	trans	-83.8	-40	175.3	-66.9	-172.6	157.3	0	0	111.3	G14 D15 A19 K20 S21	G14-E17 PolarHBondContact O-N 3.11Å; D15-E17 VanDerWaalsContact C-N 3.34Å; E17-A19 PolarHBondContact O-N 3.34Å; E17-K20 PolarHBondContact O-N 2.87Å; E17-K20 VanDerWaalsContact O-N 3.14Å; E17-S21 PolarHBondContact O-N 3.29Å
18	R	41.6	Very low	45.8	Very low	181 Å²	181	121 Å²	121	68%	0.683	64%	0.636	S	S	*	*	H	α-helix	trans	-60.5	-39.9	172.7	-114.2	178.8	177.6	170.2	-0.8	113.3	G14 K20 S21	G14-R18 PolarHBondContact O-N 3.05Å; R18-K20 PolarHBondContact O-N 3.28Å; R18-S21 PolarHBondContact O-N 3.08Å; R18-S21 PolarHBondContact O-OG 3.01Å
19	A	47.3	Very low	47	Very low	59 Å²	59	122.3 Å²	122.3	49%	0.488	64%	0.639	S	S	.	*	H	α-helix	trans	-65.9	-20.3	177.3	0	0	0	0	0	113.9	D15 E17	D15-A19 WeakPolarHBondContact O-CB 3.33Å; D15-A19 PolarHBondContact O-N 3.46Å; E17-A19 PolarHBondContact O-N 3.34Å
20	K	42.8	Very low	48.6	Very low	163 Å²	163	123.1 Å²	123.1	71%	0.709	62%	0.624	S	S	*	*	H	α-helix	trans	-86.5	-26.1	176.8	-77.8	177.4	179.1	171.7	0	113.8	E17 R18 E22	E17-K20 PolarHBondContact O-N 2.87Å; E17-K20 VanDerWaalsContact O-N 3.14Å; R18-K20 PolarHBondContact O-N 3.28Å; K20-E22 VanDerWaalsContact C-N 3.3Å
21	S	41.8	Very low	50.1	Low	95 Å²	95	121.7 Å²	121.7	66%	0.664	61%	0.611	S	S	*	*	H	α-helix	trans	-74.2	-18.3	175.2	40.3	0	0	0	0	113.8	E17 R18	E17-S21 PolarHBondContact O-N 3.29Å; R18-S21 PolarHBondContact O-N 3.08Å; R18-S21 PolarHBondContact O-OG 3.01Å
22	E	44.5	Very low	51.2	Low	137 Å²	137	120.5 Å²	120.5	64%	0.64	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	10.8	-174.1	-65.1	-172.4	175.7	0	0	115.2	K20 K24	K20-E22 VanDerWaalsContact C-N 3.3Å; E22-K24 VanDerWaalsContact C-N 3.31Å; E22-K24 PolarHBondContact O-N 3.5Å; E22-K24 VanDerWaalsContact O-N 3.11Å
23	G	44.8	Very low	52.4	Low	73 Å²	73	122.4 Å²	122.4	75%	0.753	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.6	18.6	164.1	0	0	0	0	0	117.6
24	K	44.9	Very low	53.7	Low	173 Å²	173	119.6 Å²	119.6	75%	0.752	60%	0.601	S	S	*	*			trans	-81	131.5	174.2	-79.7	175	177.3	163	0	112.1	E22 L26	E22-K24 VanDerWaalsContact C-N 3.31Å; E22-K24 PolarHBondContact O-N 3.5Å; E22-K24 VanDerWaalsContact O-N 3.11Å; K24-L26 PolarHBondContact O-N 3.29Å
25	E	44.4	Very low	55	Low	179 Å²	179	127.3 Å²	127.3	84%	0.836	62%	0.617	S	S	*	*			trans	-71.6	116	174.5	-73.4	-154.2	115.3	0	0	112.2	T27	E25-T27 PolarHBondContact O-N 3.06Å
26	L	63	Low	56.2	Low	81 Å²	81	129 Å²	129	42%	0.424	62%	0.619	S	S	.	*			trans	-55.3	133.3	171.7	-77.1	162.1	0	0	0	112.1	K24 E30 K31	K24-L26 PolarHBondContact O-N 3.29Å; L26-E30 HydrophobicContact CD2-CB 4.37Å; L26-K31 HydrophobicContact CB-CG 4.29Å; L26-K31 WeakPolarHBondContact O-CE 3.41Å; L26-K31 PolarHBondContact O-NZ 3.32Å
27	T	74.4	Confident	57.4	Low	77 Å²	77	129.1 Å²	129.1	47%	0.472	62%	0.618	S	S	.	*			trans	-68	162.5	-176.1	65.7	0	0	0	0	112.4	E25 E29 E30 K31	E25-T27 PolarHBondContact O-N 3.06Å; T27-E29 PolarHBondContact O-N 3.48Å; T27-E30 WeakPolarHBondContact CB-OE2 3.48Å; T27-E30 PolarHBondContact N-OE2 3.39Å; T27-E30 PolarHBondContact O-N 2.9Å; T27-E30 WeakPolarHBondContact OG1-CG 3.44Å; T27-E30 PolarHBondContact OG1-OE2 3.25Å; T27-K31 PolarHBondContact O-N 2.95Å
28	K	59.9	Low	58.6	Low	184 Å²	184	129.6 Å²	129.6	80%	0.8	62%	0.617	S	S	*	*	H	α-helix	trans	-60.5	-32	179	-81.2	-179.4	178.1	171.2	0	112.7	Q32	K28-Q32 WeakPolarHBondContact O-CG 3.4Å; K28-Q32 PolarHBondContact O-N 3.06Å
29	E	62.8	Low	59.7	Low	139 Å²	139	128.2 Å²	128.2	65%	0.65	62%	0.617	S	S	*	*	H	α-helix	trans	-74.5	-43.3	-178.7	-61.2	-157.1	145.2	0	0	112.6	T27 K31 Q32 R33	T27-E29 PolarHBondContact O-N 3.48Å; E29-K31 VanDerWaalsContact C-N 3.33Å; E29-K31 PolarHBondContact O-N 3.15Å; E29-Q32 CarbonylContact O-C 3.59Å; E29-Q32 WeakPolarHBondContact O-CA 3.49Å; E29-Q32 WeakPolarHBondContact O-CB 3.48Å; E29-Q32 PolarHBondContact O-N 2.86Å; E29-R33 PolarHBondContact O-N 3.01Å
30	E	69.4	Low	60.3	Low	86 Å²	86	132 Å²	132	40%	0.402	62%	0.624	S	S	.	*	H	α-helix	trans	-61.1	-43.4	176.1	-66.6	165.5	122.2	0	0	111.2	L26 T27 Q32 R33 L34	L26-E30 HydrophobicContact CD2-CB 4.37Å; T27-E30 WeakPolarHBondContact CB-OE2 3.48Å; T27-E30 PolarHBondContact N-OE2 3.39Å; T27-E30 PolarHBondContact O-N 2.9Å; T27-E30 WeakPolarHBondContact OG1-CG 3.44Å; T27-E30 PolarHBondContact OG1-OE2 3.25Å; E30-Q32 PolarHBondContact O-N 3.1Å; E30-R33 PolarHBondContact O-N 3.33Å; E30-R33 VanDerWaalsContact O-N 3.16Å; E30-L34 PolarHBondContact O-N 3.48Å
31	K	68.4	Low	61.3	Low	100 Å²	100	130.7 Å²	130.7	44%	0.435	62%	0.62	S	S	.	*	H	α-helix	trans	-60.1	-30.1	173.3	-73.8	168.4	173.9	152.9	0	112.6	L26 T27 E29 R35	L26-K31 HydrophobicContact CB-CG 4.29Å; L26-K31 WeakPolarHBondContact O-CE 3.41Å; L26-K31 PolarHBondContact O-NZ 3.32Å; T27-K31 PolarHBondContact O-N 2.95Å; E29-K31 VanDerWaalsContact C-N 3.33Å; E29-K31 PolarHBondContact O-N 3.15Å; K31-R35 WeakPolarHBondContact O-CG 3.27Å; K31-R35 PolarHBondContact O-N 2.93Å
32	Q	61.8	Low	62.3	Low	121 Å²	121	132.4 Å²	132.4	57%	0.565	62%	0.616	S	S	*	*	H	α-helix	trans	-78.7	-38.7	173	-75.3	-169.8	15.1	0	0	113.1	K28 E29 E30 R35 K36	K28-Q32 WeakPolarHBondContact O-CG 3.4Å; K28-Q32 PolarHBondContact O-N 3.06Å; E29-Q32 CarbonylContact O-C 3.59Å; E29-Q32 WeakPolarHBondContact O-CA 3.49Å; E29-Q32 WeakPolarHBondContact O-CB 3.48Å; E29-Q32 PolarHBondContact O-N 2.86Å; E30-Q32 PolarHBondContact O-N 3.1Å; Q32-R35 PolarHBondContact O-N 3.3Å; Q32-K36 PolarHBondContact O-N 3.07Å
33	R	68.8	Low	63	Low	175 Å²	175	132.5 Å²	132.5	66%	0.66	61%	0.614	S	S	*	*	H	α-helix	trans	-61.3	-50.2	176	-70	-175.8	-176	-157.7	3.3	111.1	E29 E30 R35 K36 E37	E29-R33 PolarHBondContact O-N 3.01Å; E30-R33 PolarHBondContact O-N 3.33Å; E30-R33 VanDerWaalsContact O-N 3.16Å; R33-R35 VanDerWaalsContact C-N 3.25Å; R33-R35 PolarHBondContact O-N 3.15Å; R33-K36 WeakPolarHBondContact O-CA 3.47Å; R33-K36 WeakPolarHBondContact O-CB 3.45Å; R33-K36 PolarHBondContact O-N 3.06Å; R33-E37 PolarHBondContact O-N 2.86Å
34	L	69.6	Low	63.6	Low	89 Å²	89	132.5 Å²	132.5	47%	0.466	60%	0.603	S	S	.	*	H	α-helix	trans	-57.9	-33.9	175.4	-74.9	164	0	0	0	113.4	E30 K38	E30-L34 PolarHBondContact O-N 3.48Å; L34-K38 PolarHBondContact O-N 3.41Å; L34-K38 VanDerWaalsContact O-N 3.15Å
35	R	65.9	Low	64.4	Low	202 Å²	202	131.1 Å²	131.1	76%	0.762	60%	0.597	S	S	*	*	H	α-helix	trans	-71.5	-35.3	173.4	-81.9	-179.9	170.8	-170.7	-1.5	112.8	K31 Q32 R33 K39	K31-R35 WeakPolarHBondContact O-CG 3.27Å; K31-R35 PolarHBondContact O-N 2.93Å; Q32-R35 PolarHBondContact O-N 3.3Å; R33-R35 VanDerWaalsContact C-N 3.25Å; R33-R35 PolarHBondContact O-N 3.15Å; R35-K39 WeakPolarHBondContact O-CB 3.15Å; R35-K39 PolarHBondContact O-N 3.12Å
36	K	69.3	Low	65.1	Low	144 Å²	144	126.5 Å²	126.5	63%	0.626	58%	0.575	S	S	*	*	H	α-helix	trans	-68.7	-45.3	175.2	-75.2	176.7	172.8	175.5	0	111.1	Q32 R33 K39 Q40	Q32-K36 PolarHBondContact O-N 3.07Å; R33-K36 WeakPolarHBondContact O-CA 3.47Å; R33-K36 WeakPolarHBondContact O-CB 3.45Å; R33-K36 PolarHBondContact O-N 3.06Å; K36-K39 PolarHBondContact O-N 3.1Å; K36-K39 VanDerWaalsContact O-N 3.15Å; K36-Q40 PolarHBondContact O-N 2.93Å
37	E	74.9	Confident	64.5	Low	106 Å²	106	130.5 Å²	130.5	50%	0.495	59%	0.589	S	S	.	*	H	α-helix	trans	-62.4	-48.3	178	-70.6	178.6	140.7	0	0	112.4	R33 K39 Q40 Q41	R33-E37 PolarHBondContact O-N 2.86Å; E37-K39 PolarHBondContact O-N 3.02Å; E37-Q40 PolarHBondContact O-N 3.04Å; E37-Q40 VanDerWaalsContact O-N 3.08Å; E37-Q41 PolarHBondContact O-N 3.37Å
38	K	70.1	Confident	63.5	Low	157 Å²	157	134.8 Å²	134.8	68%	0.683	60%	0.601	S	S	*	*	H	α-helix	trans	-58.3	-34	174.1	-80.2	-169.3	173	-173.6	0	112.7	L34 K42	L34-K38 PolarHBondContact O-N 3.41Å; L34-K38 VanDerWaalsContact O-N 3.15Å; K38-K42 PolarHBondContact O-N 2.95Å
39	K	64.7	Low	63.2	Low	153 Å²	153	130.2 Å²	130.2	67%	0.665	59%	0.586	S	S	*	*	H	α-helix	trans	-74.1	-31.8	177.3	-163.3	172.7	-175	178.3	0	112.5	R35 K36 E37 K43	R35-K39 WeakPolarHBondContact O-CB 3.15Å; R35-K39 PolarHBondContact O-N 3.12Å; K36-K39 PolarHBondContact O-N 3.1Å; K36-K39 VanDerWaalsContact O-N 3.15Å; E37-K39 PolarHBondContact O-N 3.02Å; K39-K43 PolarHBondContact O-N 3.15Å
40	Q	60.4	Low	62.6	Low	138 Å²	138	128.6 Å²	128.6	65%	0.645	58%	0.581	S	S	*	*	H	α-helix	trans	-70.8	-47	170.5	-84.9	176.1	-35	0	0	111.8	K36 E37 K42 K43 S44	K36-Q40 PolarHBondContact O-N 2.93Å; E37-Q40 PolarHBondContact O-N 3.04Å; E37-Q40 VanDerWaalsContact O-N 3.08Å; Q40-K42 VanDerWaalsContact C-N 3.28Å; Q40-K42 PolarHBondContact O-N 3.08Å; Q40-K43 PolarHBondContact O-N 3.11Å; Q40-K43 VanDerWaalsContact O-N 3.1Å; Q40-S44 PolarHBondContact O-N 3.48Å; Q40-S44 PolarHBondContact O-OG 3.12Å
41	Q	64	Low	61.3	Low	135 Å²	135	131.3 Å²	131.3	63%	0.631	59%	0.592	S	S	*	*	H	α-helix	trans	-58.6	-38.7	176.9	-74.1	-178.1	-5.6	0	0	112.3	E37 S44 K45	E37-Q41 PolarHBondContact O-N 3.37Å; Q41-S44 WeakPolarHBondContact CA-OG 3.33Å; Q41-S44 PolarHBondContact O-N 2.94Å; Q41-S44 PolarHBondContact O-OG 3.38Å; Q41-K45 PolarHBondContact O-N 3.21Å; Q41-K45 VanDerWaalsContact O-N 3.15Å
42	K	62.1	Low	60	Low	131 Å²	131	129.7 Å²	129.7	57%	0.57	60%	0.597	S	S	*	*	H	α-helix	trans	-64.5	-46.3	174	-160.2	-174.5	-174.9	-126.8	0	111.9	K38 Q40 S44 K45 E46	K38-K42 PolarHBondContact O-N 2.95Å; Q40-K42 VanDerWaalsContact C-N 3.28Å; Q40-K42 PolarHBondContact O-N 3.08Å; K42-S44 VanDerWaalsContact C-N 3.33Å; K42-S44 PolarHBondContact O-N 2.68Å; K42-K45 PolarHBondContact O-N 2.96Å; K42-K45 VanDerWaalsContact O-N 3.08Å; K42-E46 WeakPolarHBondContact CE-OE1 3.4Å; K42-E46 IonicContact NZ-OE1 3.02Å; K42-E46 PolarHBondContact NZ-OE1 3.22Å; K42-E46 WeakPolarHBondContact O-CG 3.44Å; K42-E46 PolarHBondContact O-N 2.94Å
43	K	59.3	Low	59.3	Low	140 Å²	140	129.9 Å²	129.9	61%	0.609	60%	0.601	S	S	*	*	H	α-helix	trans	-61.9	-35.1	176.5	-86.1	-168.9	167.1	-166.1	0	113.7	K39 Q40 K45 K47	K39-K43 PolarHBondContact O-N 3.15Å; Q40-K43 PolarHBondContact O-N 3.11Å; Q40-K43 VanDerWaalsContact O-N 3.1Å; K43-K45 VanDerWaalsContact C-N 3.31Å; K43-K47 WeakPolarHBondContact O-CB 3.45Å; K43-K47 PolarHBondContact O-N 3.24Å; K43-K47 VanDerWaalsContact O-N 3.11Å
44	S	57.9	Low	58.1	Low	73 Å²	73	129.4 Å²	129.4	51%	0.51	61%	0.606	S	S	.	*	H	α-helix	trans	-72.3	-25.2	174.7	50.3	0	0	0	0	113.1	Q40 Q41 K42 K48	Q40-S44 PolarHBondContact O-N 3.48Å; Q40-S44 PolarHBondContact O-OG 3.12Å; Q41-S44 WeakPolarHBondContact CA-OG 3.33Å; Q41-S44 PolarHBondContact O-N 2.94Å; Q41-S44 PolarHBondContact O-OG 3.38Å; K42-S44 VanDerWaalsContact C-N 3.33Å; K42-S44 PolarHBondContact O-N 2.68Å; S44-K48 PolarHBondContact O-N 3.03Å
45	K	60.8	Low	56.6	Low	143 Å²	143	132.9 Å²	132.9	62%	0.622	62%	0.62	S	S	*	*	H	α-helix	trans	-78.4	-49	175.1	-162.3	174.2	-178.2	-178	0	111.2	Q41 K42 K43 K47 K48 D49	Q41-K45 PolarHBondContact O-N 3.21Å; Q41-K45 VanDerWaalsContact O-N 3.15Å; K42-K45 PolarHBondContact O-N 2.96Å; K42-K45 VanDerWaalsContact O-N 3.08Å; K43-K45 VanDerWaalsContact C-N 3.31Å; K45-K47 VanDerWaalsContact C-N 3.28Å; K45-K47 PolarHBondContact O-N 3.42Å; K45-K48 WeakPolarHBondContact O-CA 3.46Å; K45-K48 WeakPolarHBondContact O-CB 3.37Å; K45-K48 PolarHBondContact O-N 3.34Å; K45-D49 PolarHBondContact O-N 3.37Å
46	E	58.6	Low	55.2	Low	83 Å²	83	128.3 Å²	128.3	39%	0.388	62%	0.619	S	S	.	*	H	α-helix	trans	-54	-43.4	173.5	-70.7	165.4	169.7	0	0	111.3	K42 K48 D49 D50	K42-E46 WeakPolarHBondContact CE-OE1 3.4Å; K42-E46 IonicContact NZ-OE1 3.02Å; K42-E46 PolarHBondContact NZ-OE1 3.22Å; K42-E46 WeakPolarHBondContact O-CG 3.44Å; K42-E46 PolarHBondContact O-N 2.94Å; E46-K48 VanDerWaalsContact C-N 3.27Å; E46-K48 PolarHBondContact O-N 2.96Å; E46-D49 PolarHBondContact O-N 3.3Å; E46-D50 PolarHBondContact O-N 3.03Å
47	K	51.8	Low	53.5	Low	165 Å²	165	124.6 Å²	124.6	72%	0.717	62%	0.622	S	S	*	*	H	α-helix	trans	-66.3	-18.2	173.6	-85.2	-166.5	170.1	-165.5	0	116	K43 K45	K43-K47 WeakPolarHBondContact O-CB 3.45Å; K43-K47 PolarHBondContact O-N 3.24Å; K43-K47 VanDerWaalsContact O-N 3.11Å; K45-K47 VanDerWaalsContact C-N 3.28Å; K45-K47 PolarHBondContact O-N 3.42Å
48	K	52.9	Low	51.4	Low	166 Å²	166	128.9 Å²	128.9	72%	0.722	64%	0.638	S	S	*	*	H	α-helix	trans	-85.4	-41.1	175.2	-117.9	-175.4	176.4	-171.6	0	110.4	S44 K45 E46 K51 A52	S44-K48 PolarHBondContact O-N 3.03Å; K45-K48 WeakPolarHBondContact O-CA 3.46Å; K45-K48 WeakPolarHBondContact O-CB 3.37Å; K45-K48 PolarHBondContact O-N 3.34Å; E46-K48 VanDerWaalsContact C-N 3.27Å; E46-K48 PolarHBondContact O-N 2.96Å; K48-K51 PolarHBondContact O-N 3.12Å; K48-A52 PolarHBondContact O-N 3.02Å
49	D	54	Low	49.5	Very low	89 Å²	89	130.4 Å²	130.4	48%	0.476	65%	0.648	S	S	.	*	H	α-helix	trans	-67.9	-42.5	179.3	-58.6	-28.6	0	0	0	111	K45 E46 K51 A52 I53	K45-D49 PolarHBondContact O-N 3.37Å; E46-D49 PolarHBondContact O-N 3.3Å; D49-K51 PolarHBondContact O-N 3.39Å; D49-A52 PolarHBondContact O-N 3.26Å; D49-I53 WeakPolarHBondContact O-CG1 3.24Å; D49-I53 PolarHBondContact O-N 3.04Å
50	D	49.7	Very low	47.9	Very low	105 Å²	105	129.7 Å²	129.7	56%	0.561	66%	0.657	S	S	*	*	H	α-helix	trans	-60.2	-29.1	174.3	-80	-24.9	0	0	0	113.3	E46	E46-D50 PolarHBondContact O-N 3.03Å
51	K	41.5	Very low	46.2	Very low	142 Å²	142	135.1 Å²	135.1	62%	0.617	67%	0.671	S	S	*	*	H	α-helix	trans	-80	-31.8	-178.5	-144	-174.2	-177.3	-155.7	0	112.4	K48 D49 I53	K48-K51 PolarHBondContact O-N 3.12Å; D49-K51 PolarHBondContact O-N 3.39Å; K51-I53 VanDerWaalsContact C-N 3.32Å
52	A	42.6	Very low	44.3	Very low	66 Å²	66	132.4 Å²	132.4	55%	0.545	68%	0.679	S	S	.	*	H	α-helix	trans	-69.5	-28.7	175.6	0	0	0	0	0	112.8	K48 D49	K48-A52 PolarHBondContact O-N 3.02Å; D49-A52 PolarHBondContact O-N 3.26Å
53	I	47	Very low	42.5	Very low	125 Å²	125	133.8 Å²	133.8	64%	0.641	69%	0.693	S	S	*	*	H	α-helix	trans	-78.4	-19.2	-178.1	-65.5	168.1	0	0	0	112.4	D49 K51	D49-I53 WeakPolarHBondContact O-CG1 3.24Å; D49-I53 PolarHBondContact O-N 3.04Å; K51-I53 VanDerWaalsContact C-N 3.32Å
54	Q	42	Very low	40.9	Very low	166 Å²	166	132.3 Å²	132.3	78%	0.776	70%	0.7	S	S	*	*	H	α-helix	trans	-89.3	-14.8	-179.8	-69.6	-172.8	-4.1	0	0	114.6
55	E	38.6	Very low	39.4	Very low	162 Å²	162	134 Å²	134	76%	0.757	71%	0.712	S	S	*	*	H	α-helix	trans	-95	-12.4	-177.6	-73.8	177.2	172.6	0	0	113.9
56	S	37.3	Very low	38.4	Very low	105 Å²	105	133 Å²	133	73%	0.734	72%	0.721	S	S	*	*	S	Bend	trans	-98.2	27.8	-178.3	71.8	0	0	0	0	114.8
57	G	34.2	Very low	36.7	Very low	67 Å²	67	133.8 Å²	133.8	69%	0.691	74%	0.741	S	S	*	*			trans	-124.1	22.2	-164.7	0	0	0	0	0	116.8
58	K	30.8	Very low	35.4	Very low	195 Å²	195	131.6 Å²	131.6	85%	0.848	75%	0.746	S	S	*	*			trans	-145.2	157.4	177.1	-100.7	-179.4	174.8	179.9	0	110.9
59	E	29.6	Very low	34.1	Very low	190 Å²	190	128 Å²	128	89%	0.888	75%	0.748	S	S	*	*			trans	76.2	132.6	-173.6	-57.4	176.7	-171.9	0	0	112.9
60	T	29.8	Very low	33.2	Very low	138 Å²	138	129.8 Å²	129.8	85%	0.847	76%	0.764	S	S	*	*			cis	-142.6	161.9	12	9.8	0	0	0	0	112.3
61	R	25.4	Very low	32.2	Very low	252 Å²	252	133.5 Å²	133.5	95%	0.951	78%	0.778	S	S	*	*			trans	-149.9	137.9	167	-111.3	-168.6	-179	-167.1	0.7	111.1
62	G	24.2	Very low	32.1	Very low	77 Å²	77	132.5 Å²	132.5	79%	0.794	79%	0.786	S	S	*	*			trans	84	152.2	173.4	0	0	0	0	0	114.4
63	D	25.3	Very low	31.2	Very low	160 Å²	160	134.2 Å²	134.2	86%	0.856	79%	0.794	S	S	*	*			cis	-164.3	175.4	-11.9	-167.8	12.5	0	0	0	108.7
64	S	25.1	Very low	30.2	Very low	109 Å²	109	134 Å²	134	76%	0.762	80%	0.799	S	S	*	*			trans	114.4	122.7	161.4	72.8	0	0	0	0	120.2
65	S	25.2	Very low	29.5	Very low	110 Å²	110	134.5 Å²	134.5	77%	0.769	80%	0.801	S	S	*	*			trans	-86.4	-172.9	163.9	-45.6	0	0	0	0	110
66	P	40.3	Very low	28.9	Very low	122 Å²	122	131.5 Å²	131.5	79%	0.792	80%	0.798	S	S	*	*			cis	-148.2	-161.9	17.1	44.5	-21.9	0	0	0	117.8
67	A	23.6	Very low	28.3	Very low	98 Å²	98	133.2 Å²	133.2	81%	0.81	80%	0.804	S	S	*	*			trans	80.6	144.4	168.6	0	0	0	0	0	117.1
68	S	24.3	Very low	27.9	Very low	120 Å²	120	134.1 Å²	134.1	84%	0.839	81%	0.806	S	S	*	*			cis	-157	157.1	0.6	43.8	0	0	0	0	111.9
69	A	26.6	Very low	27.7	Very low	91 Å²	91	132.5 Å²	132.5	75%	0.752	80%	0.801	S	S	*	*			trans	-94	169.6	169.8	0	0	0	0	0	111.8
70	P	34.1	Very low	27.5	Very low	126 Å²	126	132.2 Å²	132.2	82%	0.818	80%	0.797	S	S	*	*				-147.5	172.1	78.2	37.4	-17.8	0	0	0	117.2
71	Q	28.1	Very low	27.3	Very low	182 Å²	182	130.1 Å²	130.1	85%	0.85	79%	0.793	S	S	*	*			trans	-92.9	171.9	167.8	-59.4	-176.2	-41.9	0	0	112.2
72	P	40	Very low	27.4	Very low	122 Å²	122	124.6 Å²	124.6	79%	0.792	79%	0.79	S	S	*	*				-139.1	-178.6	87.3	28.8	-7.4	0	0	0	113.1
73	S	24.9	Very low	27.4	Very low	102 Å²	102	126.6 Å²	126.6	71%	0.713	79%	0.792	S	S	*	*			cis	-159.5	163.7	-4.7	29.9	0	0	0	0	113.6
74	T	25.8	Very low	27.5	Very low	121 Å²	121	123.7 Å²	123.7	74%	0.742	79%	0.79	S	S	*	*			trans	-22.7	159.4	157.8	60.3	0	0	0	0	120.9
75	Q	26.7	Very low	27.7	Very low	175 Å²	175	125.3 Å²	125.3	82%	0.818	80%	0.795	S	S	*	*			cis	-155	155.2	43	-71.8	-179.9	-26.3	0	0	116.6
76	S	25.8	Very low	28.1	Very low	99 Å²	99	125.7 Å²	125.7	69%	0.692	80%	0.795	S	S	*	*			trans	28.2	153.2	147.3	64.5	0	0	0	0	123.8
77	T	24.2	Very low	27.4	Very low	141 Å²	141	124.2 Å²	124.2	87%	0.865	79%	0.793	S	S	*	*			cis	-154.1	171.1	26.6	-13.4	0	0	0	0	113.2
78	A	26.6	Very low	27.7	Very low	87 Å²	87	125.8 Å²	125.8	72%	0.719	80%	0.795	S	S	*	*			trans	-79.3	162.2	-174.5	0	0	0	0	0	115.3
79	Q	27	Very low	27.9	Very low	160 Å²	160	126.8 Å²	126.8	75%	0.748	80%	0.795	S	S	*	*				-172.7	154.2	71.5	-80.5	-167.6	10.3	0	0	116.1
80	K	24.4	Very low	27.8	Very low	185 Å²	185	127.4 Å²	127.4	80%	0.804	79%	0.794	S	S	*	*			trans	77.3	117.6	142.9	-84.7	177	177.3	172.3	0	124.2
81	A	25.2	Very low	27.5	Very low	93 Å²	93	128 Å²	128	77%	0.769	80%	0.796	S	S	*	*			trans	83.6	125.6	132.1	0	0	0	0	0	120.2
82	P	28.1	Very low	27.6	Very low	136 Å²	136	125.5 Å²	125.5	88%	0.883	80%	0.795	S	S	*	*			trans	-94	147.7	176.5	37.1	-33	0	0	0	112.9
83	S	24.6	Very low	27	Very low	120 Å²	120	124.9 Å²	124.9	84%	0.839	80%	0.8	S	S	*	*			trans	-111.2	139	173.1	47.4	0	0	0	0	112
84	A	26.9	Very low	27	Very low	98 Å²	98	125.1 Å²	125.1	81%	0.81	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-82.4	156.8	177.5	0	0	0	0	0	112.3
85	V	30.1	Very low	26.9	Very low	144 Å²	144	128.9 Å²	128.9	87%	0.873	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-81	131.8	176.7	-178.3	0	0	0	0	110.3
86	P	32.3	Very low	26.8	Very low	118 Å²	118	124 Å²	124	77%	0.766	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-89.3	159.1	-179	35.1	-35.2	0	0	0	113.9
87	A	26.8	Very low	27.2	Very low	90 Å²	90	125.7 Å²	125.7	74%	0.744	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-89.2	157.3	169.1	0	0	0	0	0	112.1
88	P	30.3	Very low	27.5	Very low	132 Å²	132	125.3 Å²	125.3	86%	0.857	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-84.6	167.4	175.3	33.8	-33.4	0	0	0	113.9
89	V	27.5	Very low	27.9	Very low	140 Å²	140	127.1 Å²	127.1	85%	0.848	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-94	155.7	-156.7	174.9	0	0	0	0	114.6
90	S	24.8	Very low	28	Very low	104 Å²	104	124.2 Å²	124.2	73%	0.727	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-78	157.4	178.2	53.1	0	0	0	0	116.2
91	V	26.9	Very low	28.5	Very low	140 Å²	140	123.1 Å²	123.1	85%	0.848	83%	0.825	S	S	*	*			trans	-133.3	141.5	160.9	-177.4	0	0	0	0	107.6
92	P	31.7	Very low	29	Very low	128 Å²	128	127.9 Å²	127.9	83%	0.831	83%	0.829	S	S	*	*			trans	-89.2	171.3	-158.2	35.3	-37.5	0	0	0	115.5
93	A	26	Very low	29.6	Very low	109 Å²	109	127.4 Å²	127.4	90%	0.901	83%	0.825	S	S	*	*			trans	-113.5	159.5	178.5	0	0	0	0	0	112.3
94	S	24.7	Very low	30.6	Very low	108 Å²	108	126.7 Å²	126.7	76%	0.755	83%	0.826	S	S	*	*			trans	-139.5	121.2	171.1	58.7	0	0	0	0	112.4
95	E	25	Very low	32.3	Very low	199 Å²	199	128.4 Å²	128.4	93%	0.93	82%	0.816	S	S	*	*			trans	72.6	142.6	153.1	-55.6	-174.2	161	0	0	120.4
96	G	24.1	Very low	34.1	Very low	74 Å²	74	124.4 Å²	124.4	76%	0.763	79%	0.794	S	S	*	*			trans	-101.8	-149.8	-168.3	0	0	0	0	0	114.7
97	P	33.9	Very low	35.4	Very low	133 Å²	133	128 Å²	128	86%	0.864	80%	0.798	S	S	*	*			cis	-128.3	179.7	19.9	39.8	-22.5	0	0	0	116.6
98	T	31.7	Very low	37.1	Very low	134 Å²	134	127.1 Å²	127.1	82%	0.822	79%	0.791	S	S	*	*			trans	-83.8	168.6	-177.3	52.5	0	0	0	0	114.1
99	P	33.8	Very low	39	Very low	124 Å²	124	125.5 Å²	125.5	81%	0.805	77%	0.771	S	S	*	*				-150.9	166.4	98.6	39.4	-22.6	0	0	0	118.2
100	A	28.7	Very low	40.9	Very low	100 Å²	100	123.6 Å²	123.6	83%	0.826	76%	0.756	S	S	*	*			trans	85.7	109.7	151.9	0	0	0	0	0	121.4
101	D	34.9	Very low	43	Very low	162 Å²	162	125.3 Å²	125.3	87%	0.866	75%	0.75	S	S	*	*			trans	-66.4	145.6	168.4	-91	-59.4	0	0	0	115
102	K	35.6	Very low	45.3	Very low	193 Å²	193	121.4 Å²	121.4	84%	0.839	73%	0.733	S	S	*	*			trans	-144.1	139.4	151.2	-73.9	-171.4	179.6	172.9	0	109.7
103	P	41.8	Very low	47.3	Very low	126 Å²	126	119.5 Å²	119.5	82%	0.818	71%	0.713	S	S	*	*			trans	-69.2	136.9	-172.7	27.6	-34.8	0	0	0	112.4	K105	P103-K105 PolarHBondContact O-N 3.06Å
104	A	45.7	Very low	49.3	Very low	104 Å²	104	123.9 Å²	123.9	86%	0.86	71%	0.706	S	S	*	*			trans	-72	112.5	178.8	0	0	0	0	0	111.3
105	K	61.8	Low	51.6	Low	135 Å²	135	126.7 Å²	126.7	59%	0.587	70%	0.7	S	S	*	*			trans	-60.4	146.6	171.9	-69.6	-171.3	178.4	-173.8	0	111.4	P103	P103-K105 PolarHBondContact O-N 3.06Å
106	S	67.8	Low	53.9	Low	60 Å²	60	120 Å²	120	42%	0.42	68%	0.679	S	S	.	*			trans	-70.3	153.3	-174.4	74.2	0	0	0	0	112.3	A108 E109 L110	S106-A108 PolarHBondContact O-N 3.22Å; S106-E109 PolarHBondContact N-OE2 3.02Å; S106-E109 PolarHBondContact O-N 2.89Å; S106-E109 VanDerWaalsContact O-N 3.1Å; S106-E109 PolarHBondContact OG-OE2 3.44Å; S106-E109 VanDerWaalsContact OG-OE2 3.12Å; S106-L110 PolarHBondContact O-N 3.15Å
107	K	59.3	Low	56.1	Low	193 Å²	193	125 Å²	125	84%	0.839	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-16.4	179.9	-154.7	171.3	-172.6	174.6	0	113.4
108	A	64.1	Low	57.6	Low	72 Å²	72	123.9 Å²	123.9	60%	0.595	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-45.7	174.6	0	0	0	0	0	112.3	S106 L110 K111 A112	S106-A108 PolarHBondContact O-N 3.22Å; A108-L110 PolarHBondContact O-N 3.32Å; A108-K111 WeakPolarHBondContact O-CB 3.26Å; A108-K111 PolarHBondContact O-N 2.99Å; A108-A112 PolarHBondContact O-N 3.29Å
109	E	68.4	Low	59.5	Low	97 Å²	97	123.7 Å²	123.7	45%	0.453	65%	0.648	S	S	.	*	H	α-helix	trans	-62.4	-44.6	-180	-68.4	169.9	106.8	0	0	111.7	S106 K111 A112 E113	S106-E109 PolarHBondContact N-OE2 3.02Å; S106-E109 PolarHBondContact O-N 2.89Å; S106-E109 VanDerWaalsContact O-N 3.1Å; S106-E109 PolarHBondContact OG-OE2 3.44Å; S106-E109 VanDerWaalsContact OG-OE2 3.12Å; E109-K111 PolarHBondContact O-N 3.27Å; E109-K111 VanDerWaalsContact O-N 3.15Å; E109-A112 PolarHBondContact O-N 3.36Å; E109-A112 VanDerWaalsContact O-N 3.07Å; E109-E113 PolarHBondContact O-N 3.16Å
110	L	68.5	Low	61.2	Low	101 Å²	101	120.7 Å²	120.7	53%	0.529	63%	0.634	S	S	.	*	H	α-helix	trans	-59.8	-26.5	175.3	-69.7	170.5	0	0	0	112.8	S106 A108 R114	S106-L110 PolarHBondContact O-N 3.15Å; A108-L110 PolarHBondContact O-N 3.32Å; L110-R114 WeakPolarHBondContact O-CB 3.47Å; L110-R114 PolarHBondContact O-N 3.03Å
111	K	68.7	Low	62.9	Low	139 Å²	139	120.9 Å²	120.9	60%	0.604	62%	0.617	S	S	*	*	H	α-helix	trans	-84.4	-31.4	177.2	-159.9	174.4	-176.2	179.9	0	112	A108 E109 R115	A108-K111 WeakPolarHBondContact O-CB 3.26Å; A108-K111 PolarHBondContact O-N 2.99Å; E109-K111 PolarHBondContact O-N 3.27Å; E109-K111 VanDerWaalsContact O-N 3.15Å; K111-R115 WeakPolarHBondContact O-CG 3.45Å; K111-R115 PolarHBondContact O-N 3.01Å
112	A	74.6	Confident	64.1	Low	59 Å²	59	120.4 Å²	120.4	49%	0.488	60%	0.604	S	S	.	*	H	α-helix	trans	-69.7	-47.8	171.5	0	0	0	0	0	111.5	A108 E109 R114 R115 A116	A108-A112 PolarHBondContact O-N 3.29Å; E109-A112 PolarHBondContact O-N 3.36Å; E109-A112 VanDerWaalsContact O-N 3.07Å; A112-R114 VanDerWaalsContact C-N 3.28Å; A112-R114 PolarHBondContact O-N 3.29Å; A112-R115 PolarHBondContact O-N 3.06Å; A112-A116 PolarHBondContact O-N 3.3Å
113	E	74.8	Confident	65.3	Low	88 Å²	88	114 Å²	114	41%	0.411	59%	0.587	S	S	.	*	H	α-helix	trans	-59.5	-38.2	178.4	-168.3	178.5	160.7	0	0	111.9	E109 R117	E109-E113 PolarHBondContact O-N 3.16Å; E113-R117 PolarHBondContact O-N 3.3Å; E113-R117 IonicContact OE1-NH2 2.62Å
114	R	68.3	Low	65.9	Low	200 Å²	200	110.9 Å²	110.9	76%	0.755	57%	0.568	S	S	*	*	H	α-helix	trans	-70.7	-29	176.9	-153.1	175.5	-163.7	-175.1	5.2	113.4	L110 A112 Q118	L110-R114 WeakPolarHBondContact O-CB 3.47Å; L110-R114 PolarHBondContact O-N 3.03Å; A112-R114 VanDerWaalsContact C-N 3.28Å; A112-R114 PolarHBondContact O-N 3.29Å; R114-Q118 PolarHBondContact O-N 2.62Å
115	R	72.1	Confident	66.4	Low	167 Å²	167	112.5 Å²	112.5	63%	0.63	56%	0.556	S	S	*	*	H	α-helix	trans	-74.1	-48.2	172.2	-77.5	178.2	173.2	-178.3	-4.1	111.1	K111 A112 R117 Q118 E119	K111-R115 WeakPolarHBondContact O-CG 3.45Å; K111-R115 PolarHBondContact O-N 3.01Å; A112-R115 PolarHBondContact O-N 3.06Å; R115-R117 VanDerWaalsContact C-N 3.29Å; R115-R117 PolarHBondContact O-N 3.37Å; R115-Q118 PolarHBondContact O-N 3.45Å; R115-E119 PolarHBondContact O-N 3.46Å
116	A	73.5	Confident	65.7	Low	59 Å²	59	114 Å²	114	49%	0.488	57%	0.565	S	S	.	*	H	α-helix	trans	-55.9	-41.8	176.8	0	0	0	0	0	112.3	A112 E119 A120	A112-A116 PolarHBondContact O-N 3.3Å; A116-E119 PolarHBondContact O-N 2.81Å; A116-A120 PolarHBondContact O-N 3.42Å
117	R	70	Confident	64.6	Low	180 Å²	180	115.7 Å²	115.7	68%	0.679	58%	0.577	S	S	*	*	H	α-helix	trans	-61.8	-44.2	172.9	-79.8	-172.9	178	-176.5	2.7	113.1	E113 R115 E119 E121	E113-R117 PolarHBondContact O-N 3.3Å; E113-R117 IonicContact OE1-NH2 2.62Å; R115-R117 VanDerWaalsContact C-N 3.29Å; R115-R117 PolarHBondContact O-N 3.37Å; R117-E119 VanDerWaalsContact C-N 3.29Å; R117-E119 PolarHBondContact O-N 3.49Å; R117-E121 WeakPolarHBondContact O-CB 3.41Å; R117-E121 PolarHBondContact O-N 3.24Å
118	Q	65.4	Low	64	Low	109 Å²	109	115 Å²	115	51%	0.509	57%	0.574	S	S	.	*	H	α-helix	trans	-66.2	-30.5	177.4	-79.4	-171.6	-19.9	0	0	113.2	R114 R115 R122	R114-Q118 PolarHBondContact O-N 2.62Å; R115-Q118 PolarHBondContact O-N 3.45Å; Q118-R122 WeakPolarHBondContact O-CG 3.39Å; Q118-R122 PolarHBondContact O-N 3.07Å; Q118-R122 VanDerWaalsContact O-N 3.12Å
119	E	70.9	Confident	62.9	Low	129 Å²	129	121.4 Å²	121.4	60%	0.603	59%	0.588	S	S	*	*	H	α-helix	trans	-74.9	-43.3	179.3	-145.9	143.2	-130.7	0	0	111.1	R115 A116 R117 E121 R122 A123	R115-E119 PolarHBondContact O-N 3.46Å; A116-E119 PolarHBondContact O-N 2.81Å; R117-E119 VanDerWaalsContact C-N 3.29Å; R117-E119 PolarHBondContact O-N 3.49Å; E119-E121 VanDerWaalsContact C-N 3.29Å; E119-E121 PolarHBondContact O-N 2.99Å; E119-R122 PolarHBondContact O-N 2.83Å; E119-R122 VanDerWaalsContact O-N 3.12Å; E119-A123 PolarHBondContact O-N 3.3Å
120	A	69.3	Low	61.1	Low	62 Å²	62	120.3 Å²	120.3	51%	0.512	60%	0.603	S	S	.	*	H	α-helix	trans	-60.6	-35.8	169.6	0	0	0	0	0	112.8	A116 R122 S124	A116-A120 PolarHBondContact O-N 3.42Å; A120-R122 VanDerWaalsContact C-N 3.32Å; A120-R122 PolarHBondContact O-N 3.14Å; A120-S124 WeakPolarHBondContact O-CB 3.4Å; A120-S124 PolarHBondContact O-N 2.66Å; A120-S124 PolarHBondContact O-OG 2.88Å
121	E	64.8	Low	59.3	Low	103 Å²	103	123.2 Å²	123.2	48%	0.481	62%	0.619	S	S	.	*	H	α-helix	trans	-73.9	-20.1	176.6	-141.3	-162.4	139.3	0	0	113.4	R117 E119 S124 K125	R117-E121 WeakPolarHBondContact O-CB 3.41Å; R117-E121 PolarHBondContact O-N 3.24Å; E119-E121 VanDerWaalsContact C-N 3.29Å; E119-E121 PolarHBondContact O-N 2.99Å; E121-S124 WeakPolarHBondContact CA-OG 3.36Å; E121-S124 PolarHBondContact O-OG 3.45Å; E121-K125 VanDerWaalsContact O-CD 3.24Å; E121-K125 WeakPolarHBondContact O-CD 3.39Å; E121-K125 VanDerWaalsContact O-CG 3.26Å; E121-K125 WeakPolarHBondContact O-CG 3.45Å; E121-K125 WeakPolarHBondContact OE1-CE 3.32Å; E121-K125 IonicContact OE1-NZ 2.68Å; E121-K125 PolarHBondContact OE1-NZ 3.23Å
122	R	61.5	Low	57.9	Low	152 Å²	152	122 Å²	122	57%	0.574	63%	0.625	S	S	*	*	H	α-helix	trans	-82.4	-45	169.9	-75	179.8	-166.7	144.2	5.3	111.5	Q118 E119 A120 S124 K125 Q126	Q118-R122 WeakPolarHBondContact O-CG 3.39Å; Q118-R122 PolarHBondContact O-N 3.07Å; Q118-R122 VanDerWaalsContact O-N 3.12Å; E119-R122 PolarHBondContact O-N 2.83Å; E119-R122 VanDerWaalsContact O-N 3.12Å; A120-R122 VanDerWaalsContact C-N 3.32Å; A120-R122 PolarHBondContact O-N 3.14Å; R122-S124 VanDerWaalsContact C-N 3.3Å; R122-S124 PolarHBondContact O-N 3.42Å; R122-K125 PolarHBondContact O-N 2.59Å; R122-Q126 PolarHBondContact O-N 3.23Å
123	A	60.8	Low	55.6	Low	60 Å²	60	122.7 Å²	122.7	50%	0.496	64%	0.639	S	S	.	*	H	α-helix	trans	-57.4	-43.6	177.4	0	0	0	0	0	111.8	E119 K125 Q126 S127	E119-A123 PolarHBondContact O-N 3.3Å; A123-K125 VanDerWaalsContact C-N 3.25Å; A123-K125 PolarHBondContact O-N 3.11Å; A123-Q126 PolarHBondContact O-N 3.47Å; A123-S127 PolarHBondContact O-N 3.46Å; A123-S127 PolarHBondContact O-OG 3.11Å
124	S	52.7	Low	53.7	Low	60 Å²	60	124 Å²	124	42%	0.42	66%	0.655	S	S	.	*	H	α-helix	trans	-71.6	-11.4	176.6	55.4	0	0	0	0	115.3	A120 E121 R122	A120-S124 WeakPolarHBondContact O-CB 3.4Å; A120-S124 PolarHBondContact O-N 2.66Å; A120-S124 PolarHBondContact O-OG 2.88Å; E121-S124 WeakPolarHBondContact CA-OG 3.36Å; E121-S124 PolarHBondContact O-OG 3.45Å; R122-S124 VanDerWaalsContact C-N 3.3Å; R122-S124 PolarHBondContact O-N 3.42Å
125	K	57.2	Low	51.7	Low	137 Å²	137	124 Å²	124	60%	0.596	66%	0.663	S	S	*	*	H	α-helix	trans	-96.4	-21.6	172.7	-71.9	173.7	-168.4	168.7	0	113	E121 R122 A123	E121-K125 VanDerWaalsContact O-CD 3.24Å; E121-K125 WeakPolarHBondContact O-CD 3.39Å; E121-K125 VanDerWaalsContact O-CG 3.26Å; E121-K125 WeakPolarHBondContact O-CG 3.45Å; E121-K125 WeakPolarHBondContact OE1-CE 3.32Å; E121-K125 IonicContact OE1-NZ 2.68Å; E121-K125 PolarHBondContact OE1-NZ 3.23Å; R122-K125 PolarHBondContact O-N 2.59Å; A123-K125 VanDerWaalsContact C-N 3.25Å; A123-K125 PolarHBondContact O-N 3.11Å
126	Q	46.6	Very low	49.5	Very low	166 Å²	166	119.7 Å²	119.7	78%	0.776	67%	0.671	S	S	*	*	H	α-helix	trans	-79.7	-25.6	173	-78.2	179.2	-35.5	0	0	113	R122 A123 K128	R122-Q126 PolarHBondContact O-N 3.23Å; A123-Q126 PolarHBondContact O-N 3.47Å; Q126-K128 VanDerWaalsContact C-N 3.28Å; Q126-K128 PolarHBondContact O-N 3.29Å
127	S	45.5	Very low	47.2	Very low	96 Å²	96	121.3 Å²	121.3	67%	0.671	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	10.5	179.2	56.7	0	0	0	0	115.9	A123	A123-S127 PolarHBondContact O-N 3.46Å; A123-S127 PolarHBondContact O-OG 3.11Å
128	K	45.8	Very low	45.1	Very low	179 Å²	179	119.2 Å²	119.2	78%	0.778	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.6	31.3	-176.5	-73.5	-167.8	173.7	-174.8	0	115.2	Q126	Q126-K128 VanDerWaalsContact C-N 3.28Å; Q126-K128 PolarHBondContact O-N 3.29Å
129	K	41.5	Very low	43.2	Very low	206 Å²	206	118.8 Å²	118.8	90%	0.896	70%	0.7	S	S	*	*			trans	-136.7	116.8	170.6	-87.2	-171.5	170	-174.9	0	112.5
130	G	29.9	Very low	41.1	Very low	75 Å²	75	122.3 Å²	122.3	77%	0.773	71%	0.714	S	S	*	*			trans	124.7	130.4	-175.2	0	0	0	0	0	109.3
131	D	31.7	Very low	38.9	Very low	162 Å²	162	124.4 Å²	124.4	87%	0.866	73%	0.725	S	S	*	*			cis	-146.8	-163.9	-2.6	-140.2	7.2	0	0	0	108.8
132	P	38.3	Very low	37	Very low	112 Å²	112	129.4 Å²	129.4	73%	0.727	75%	0.745	S	S	*	*			trans	-121.2	134.6	-142.2	29.6	-6.6	0	0	0	118.4
133	G	26.3	Very low	35.2	Very low	75 Å²	75	126.6 Å²	126.6	77%	0.773	75%	0.754	S	S	*	*			trans	75.2	176.4	157.7	0	0	0	0	0	117.6
134	P	36.3	Very low	33.5	Very low	116 Å²	116	128.3 Å²	128.3	75%	0.753	77%	0.768	S	S	*	*			cis	-127.9	169	-4	41.1	-26.3	0	0	0	115.8
135	Q	26.6	Very low	32.1	Very low	198 Å²	198	132 Å²	132	93%	0.925	79%	0.788	S	S	*	*			trans	43.5	134.2	150.7	-65.7	175.9	2.6	0	0	122.8
136	G	24.4	Very low	30.7	Very low	77 Å²	77	132.7 Å²	132.7	79%	0.794	80%	0.799	S	S	*	*			trans	136.9	101	142.1	0	0	0	0	0	119.8
137	A	25.1	Very low	29.8	Very low	94 Å²	94	134 Å²	134	78%	0.777	81%	0.805	S	S	*	*			trans	51.5	109.2	143.4	0	0	0	0	0	124.4
138	V	26.3	Very low	29.3	Very low	135 Å²	135	137.5 Å²	137.5	82%	0.818	82%	0.815	S	S	*	*				72.2	120.5	124.1	-174.9	0	0	0	0	122.7
139	S	25.5	Very low	28.4	Very low	100 Å²	100	137.7 Å²	137.7	70%	0.699	82%	0.819	S	S	*	*			trans	94.5	107.3	144.8	67.8	0	0	0	0	123.3
140	K	26.8	Very low	28	Very low	203 Å²	203	133.2 Å²	133.2	88%	0.883	81%	0.811	S	S	*	*			trans	46.2	124.7	133.7	-66.2	177.2	178.8	175.7	0	118.4
141	S	23.2	Very low	28	Very low	107 Å²	107	136 Å²	136	75%	0.748	81%	0.813	S	S	*	*				179.9	155.6	55.2	43.7	0	0	0	0	116.5
142	K	24.8	Very low	27.8	Very low	207 Å²	207	134 Å²	134	90%	0.9	81%	0.806	S	S	*	*			trans	74.1	147	149.1	-79.6	-179.7	175.8	-179	0	123.4
143	A	23.3	Very low	27.3	Very low	93 Å²	93	138 Å²	138	77%	0.769	81%	0.812	S	S	*	*			trans	68.8	104.3	166.9	0	0	0	0	0	117.6
144	A	25.7	Very low	27.6	Very low	96 Å²	96	143.5 Å²	143.5	79%	0.793	81%	0.809	S	S	*	*				67.2	112.2	76.1	0	0	0	0	0	112
145	T	23.8	Very low	27.3	Very low	137 Å²	137	145.5 Å²	145.5	84%	0.84	81%	0.813	S	S	*	*			cis	-156.4	175.1	46.9	48.9	0	0	0	0	108.2
146	N	26.4	Very low	27.9	Very low	153 Å²	153	140.6 Å²	140.6	82%	0.818	80%	0.798	S	S	*	*			cis	-157.2	114.2	16.7	-157.5	7.9	0	0	0	107.4
147	E	29	Very low	28.9	Very low	193 Å²	193	143.2 Å²	143.2	90%	0.902	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-89.1	141.9	-179	-80.9	-158.4	142.9	0	0	113.1	Q149	E147-Q149 PolarHBondContact O-N 3.41Å
148	L	34.3	Very low	30.2	Very low	170 Å²	170	142.4 Å²	142.4	89%	0.89	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-64	127.6	174.7	-72.4	149.2	0	0	0	110.2
149	Q	27.4	Very low	31.7	Very low	183 Å²	183	138.5 Å²	138.5	86%	0.855	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-56.1	131.1	176.2	-67.5	-179.9	-6.2	0	0	110.7	E147 V151	E147-Q149 PolarHBondContact O-N 3.41Å; Q149-V151 PolarHBondContact O-N 3.04Å
150	P	32.3	Very low	33.3	Very low	112 Å²	112	139 Å²	139	73%	0.727	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-68	120.9	172.7	28.1	-32.4	0	0	0	108.6	V152	P150-V152 PolarHBondContact O-N 3.16Å
151	V	29.7	Very low	34.8	Very low	134 Å²	134	129.8 Å²	129.8	81%	0.812	70%	0.696	S	S	*	*			trans	-60	103	170.5	175.2	0	0	0	0	107.9	Q149 K153	Q149-V151 PolarHBondContact O-N 3.04Å; V151-K153 VanDerWaalsContact C-N 3.34Å; V151-K153 PolarHBondContact O-N 3.12Å
152	V	28.3	Very low	36.6	Very low	120 Å²	120	129 Å²	129	73%	0.727	68%	0.683	S	S	*	*			trans	-65.1	96.6	176.4	180	0	0	0	0	107.6	P150 R154	P150-V152 PolarHBondContact O-N 3.16Å; V152-R154 PolarHBondContact O-N 3.37Å
153	K	28.6	Very low	38.9	Very low	196 Å²	196	122 Å²	122	85%	0.852	66%	0.656	S	S	*	*			trans	-63.4	87	165.4	-75	-175.9	175.8	179.2	0	107.9	V151 L155	V151-K153 VanDerWaalsContact C-N 3.34Å; V151-K153 PolarHBondContact O-N 3.12Å; K153-L155 PolarHBondContact O-N 3.4Å
154	R	32.2	Very low	41.3	Very low	189 Å²	189	121.3 Å²	121.3	71%	0.713	64%	0.643	S	S	*	*			trans	-52.5	114.6	167.4	-74.9	-173.8	176	-162.8	-3.2	106.3	V152 E457	V152-R154 PolarHBondContact O-N 3.37Å; R154-E457 IonicContact CZ-OE2 2.71Å; R154-E457 IonicContact NH1-OE2 2.98Å; R154-E457 PolarHBondContact NH1-OE2 3.12Å; R154-E457 IonicContact NH2-OE2 3.32Å; R154-E457 PolarHBondContact NH2-OE2 3.15Å; R154-E457 VanDerWaalsContact NH2-OE2 3.11Å
155	L	29.7	Very low	43.7	Very low	159 Å²	159	121.1 Å²	121.1	83%	0.832	63%	0.629	S	S	*	*			trans	-57.3	139.9	170.8	-78.3	157.1	0	0	0	108.2	K153 E157	K153-L155 PolarHBondContact O-N 3.4Å; L155-E157 PolarHBondContact O-N 3.12Å
156	P	39.8	Very low	46.2	Very low	94 Å²	94	116.5 Å²	116.5	61%	0.61	60%	0.601	S	S	*	*			trans	-52.2	126.9	172.1	-27.5	36.1	0	0	0	110.6	H158	P156-H158 WeakPolarHBondContact CB-O 3.43Å; P156-H158 PolarHBondContact O-N 3.11Å
157	E	44.7	Very low	48.5	Very low	132 Å²	132	111.7 Å²	111.7	62%	0.617	58%	0.575	S	S	*	*	S	Bend	trans	-66.8	-19.3	179.4	-152.1	165.4	-158.4	0	0	110.7	L155 K290	L155-E157 PolarHBondContact O-N 3.12Å; E157-K290 IonicContact OE1-NZ 2.69Å; E157-K290 PolarHBondContact OE1-NZ 3.11Å
158	H	52.8	Low	50.9	Low	78 Å²	78	108.4 Å²	108.4	36%	0.361	56%	0.557	S	S	.	*	S	Bend	trans	-105.9	138.8	170.5	-79.2	-103.8	0	0	0	112.6	P156 S466	P156-H158 WeakPolarHBondContact CB-O 3.43Å; P156-H158 PolarHBondContact O-N 3.11Å; H158-S466 PolarHBondContact NE2-OG 3.3Å
159	I	57	Low	53.1	Low	53 Å²	53	107.3 Å²	107.3	27%	0.272	55%	0.545	S	S	.	.			trans	-80.9	119.2	177.7	-65.3	178.5	0	0	0	108.4	V161 V166 L170	I159-V161 PolarHBondContact O-N 2.76Å; I159-V161 VanDerWaalsContact O-N 3.14Å; I159-V166 HydrophobicContact CG2-CG1 3.57Å; I159-L170 HydrophobicContact CD1-CB 4.49Å; I159-L170 HydrophobicContact CD1-CD1 3.67Å; I159-L170 HydrophobicContact CD1-CD2 3.82Å; I159-L170 HydrophobicContact CD1-CG 4.18Å; I159-L170 HydrophobicContact CG2-CD2 4.31Å
160	Q	58.7	Low	55.5	Low	111 Å²	111	99.1 Å²	99.1	52%	0.519	51%	0.507	S	S	.	.			trans	-70.1	103.9	170.7	-70.1	175.9	-15.1	0	0	109.5	D162 N163	Q160-D162 VanDerWaalsContact C-N 3.28Å; Q160-D162 PolarHBondContact O-N 3.4Å; Q160-N163 PolarHBondContact O-N 2.99Å
161	V	58.3	Low	57.7	Low	8 Å²	8	94.8 Å²	94.8	5%	0.048	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-31.3	-177.4	174.5	0	0	0	0	112.7	I159 N163 L167 K188 H194 H196	I159-V161 PolarHBondContact O-N 2.76Å; I159-V161 VanDerWaalsContact O-N 3.14Å; V161-N163 PolarHBondContact O-N 3.06Å; V161-N163 VanDerWaalsContact O-N 3.09Å; V161-L167 HydrophobicContact CG1-CD1 4.2Å; V161-L167 HydrophobicContact CG1-CD2 4.19Å; V161-L167 HydrophobicContact CG1-CG 4.49Å; V161-L167 WeakPolarHBondContact O-CD1 3.35Å; V161-L167 WeakPolarHBondContact O-CG 3.21Å; V161-K188 VanDerWaalsContact CG1-NZ 3.32Å; V161-H194 WeakPolarHBondContact CB-O 3.47Å; V161-H194 WeakPolarHBondContact CG2-O 3.49Å; V161-H194 PolarHBondContact N-O 3.45Å; V161-H194 VanDerWaalsContact N-O 3.1Å; V161-H196 WeakPolarHBondContact CG2-CE1 3.16Å; V161-H196 WeakPolarHBondContact CG2-ND1 3.46Å; V161-H196 WeakPolarHBondContact CG2-NE2 3.37Å
162	D	61.3	Low	60.1	Low	90 Å²	90	94.7 Å²	94.7	48%	0.481	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.1	-179.4	-60.2	-32.8	0	0	0	114.8	Q160 P164 S193 H194	Q160-D162 VanDerWaalsContact C-N 3.28Å; Q160-D162 PolarHBondContact O-N 3.4Å; D162-P164 VanDerWaalsContact O-CD 3.27Å; D162-P164 WeakPolarHBondContact O-CD 3.39Å; D162-S193 WeakPolarHBondContact OD1-CA 3.36Å; D162-S193 WeakPolarHBondContact OD1-CB 3.27Å; D162-S193 PolarHBondContact OD1-OG 2.98Å; D162-S193 PolarHBondContact OD2-OG 3.36Å; D162-H194 PolarHBondContact OD1-N 2.69Å; D162-H194 VanDerWaalsContact OD1-N 3.1Å; D162-H194 WeakPolarHBondContact OD2-CA 2.92Å; D162-H194 VanDerWaalsContact OD2-CB 3.25Å; D162-H194 WeakPolarHBondContact OD2-CB 3.25Å; D162-H194 PolarHBondContact OD2-N 2.99Å; D162-H194 VanDerWaalsContact OD2-N 3.1Å
163	N	74.1	Confident	62.6	Low	62 Å²	62	94.3 Å²	94.3	33%	0.332	46%	0.458	S	S	.	.			trans	-90.9	109	-176.2	-169.9	-37.3	0	0	0	109.8	Q160 V161 D165 V166 L167	Q160-N163 PolarHBondContact O-N 2.99Å; V161-N163 PolarHBondContact O-N 3.06Å; V161-N163 VanDerWaalsContact O-N 3.09Å; N163-D165 PolarHBondContact O-N 3.21Å; N163-D165 VanDerWaalsContact O-N 3.12Å; N163-D165 PolarHBondContact OD1-N 2.85Å; N163-D165 VanDerWaalsContact OD1-N 3.12Å; N163-V166 HydrophobicContact CB-CB 4.03Å; N163-V166 HydrophobicContact CB-CG2 3.69Å; N163-V166 WeakPolarHBondContact O-CA 3.35Å; N163-V166 WeakPolarHBondContact O-CB 3.44Å; N163-V166 PolarHBondContact O-N 3.06Å; N163-L167 PolarHBondContact O-N 3.33Å; N163-L167 VanDerWaalsContact O-N 3.08Å
164	P	74.1	Confident	65	Low	78 Å²	78	85 Å²	85	51%	0.506	42%	0.418	S	S	.	.	H	α-helix	trans	-63.8	-23.9	-174.7	26.6	-35.7	0	0	0	112.8	D162 K168	D162-P164 VanDerWaalsContact O-CD 3.27Å; D162-P164 WeakPolarHBondContact O-CD 3.39Å; P164-K168 WeakPolarHBondContact O-CB 3.5Å; P164-K168 WeakPolarHBondContact O-CD 3.45Å; P164-K168 WeakPolarHBondContact O-CG 3.42Å; P164-K168 PolarHBondContact O-N 3.01Å
165	D	75.3	Confident	67.3	Low	91 Å²	91	82.1 Å²	82.1	49%	0.487	41%	0.412	S	S	.	.	H	α-helix	trans	-76.3	-27.3	174.6	-69.3	-24.1	0	0	0	112.4	N163 K169	N163-D165 PolarHBondContact O-N 3.21Å; N163-D165 VanDerWaalsContact O-N 3.12Å; N163-D165 PolarHBondContact OD1-N 2.85Å; N163-D165 VanDerWaalsContact OD1-N 3.12Å; D165-K169 WeakPolarHBondContact O-CB 3.4Å; D165-K169 VanDerWaalsContact O-CD 3.29Å; D165-K169 WeakPolarHBondContact O-CD 3.33Å; D165-K169 WeakPolarHBondContact O-CG 3.5Å; D165-K169 PolarHBondContact O-N 3.1Å; D165-K169 VanDerWaalsContact O-N 3.13Å
166	V	76.3	Confident	69.6	Low	41 Å²	41	85.1 Å²	85.1	25%	0.248	41%	0.413	C	S	.	.	H	α-helix	trans	-74.6	-43.3	173.7	-180	0	0	0	0	109.8	I159 N163 K169 L170	I159-V166 HydrophobicContact CG2-CG1 3.57Å; N163-V166 HydrophobicContact CB-CB 4.03Å; N163-V166 HydrophobicContact CB-CG2 3.69Å; N163-V166 WeakPolarHBondContact O-CA 3.35Å; N163-V166 WeakPolarHBondContact O-CB 3.44Å; N163-V166 PolarHBondContact O-N 3.06Å; V166-K169 WeakPolarHBondContact O-CB 3.27Å; V166-K169 PolarHBondContact O-N 3.26Å; V166-L170 PolarHBondContact O-N 3.21Å
167	L	74.7	Confident	71.5	Confident	52 Å²	52	82.4 Å²	82.4	27%	0.272	39%	0.392	S	S	.	.	H	α-helix	trans	-59.6	-45.9	171.9	-77.7	177.8	0	0	0	112.5	V161 N163 K169 L170 A171	V161-L167 HydrophobicContact CG1-CD1 4.2Å; V161-L167 HydrophobicContact CG1-CD2 4.19Å; V161-L167 HydrophobicContact CG1-CG 4.49Å; V161-L167 WeakPolarHBondContact O-CD1 3.35Å; V161-L167 WeakPolarHBondContact O-CG 3.21Å; N163-L167 PolarHBondContact O-N 3.33Å; N163-L167 VanDerWaalsContact O-N 3.08Å; L167-K169 VanDerWaalsContact C-N 3.28Å; L167-K169 PolarHBondContact O-N 2.88Å; L167-L170 WeakPolarHBondContact O-CB 3.46Å; L167-L170 PolarHBondContact O-N 3.29Å; L167-L170 VanDerWaalsContact O-N 3.12Å; L167-A171 WeakPolarHBondContact O-CB 3.32Å; L167-A171 PolarHBondContact O-N 3.18Å
168	K	79.1	Confident	73	Confident	123 Å²	123	82.5 Å²	82.5	54%	0.535	39%	0.392	S	S	.	.	H	α-helix	trans	-61.1	-34.8	174.9	-73.9	167	-171.5	169.3	0	112.9	P164 K172	P164-K168 WeakPolarHBondContact O-CB 3.5Å; P164-K168 WeakPolarHBondContact O-CD 3.45Å; P164-K168 WeakPolarHBondContact O-CG 3.42Å; P164-K168 PolarHBondContact O-N 3.01Å; K168-K172 WeakPolarHBondContact O-CB 3.08Å; K168-K172 VanDerWaalsContact O-CG 3.31Å; K168-K172 WeakPolarHBondContact O-CG 3.44Å; K168-K172 PolarHBondContact O-N 3.36Å; K168-K172 VanDerWaalsContact O-N 3.15Å
169	K	80.4	Confident	74.3	Confident	148 Å²	148	79 Å²	79	64%	0.643	38%	0.376	S	S	*	.	H	α-helix	trans	-70.7	-37.5	173.9	-74.5	164.1	-170.7	167.8	0	111.8	D165 V166 L167 K173	D165-K169 WeakPolarHBondContact O-CB 3.4Å; D165-K169 VanDerWaalsContact O-CD 3.29Å; D165-K169 WeakPolarHBondContact O-CD 3.33Å; D165-K169 WeakPolarHBondContact O-CG 3.5Å; D165-K169 PolarHBondContact O-N 3.1Å; D165-K169 VanDerWaalsContact O-N 3.13Å; V166-K169 WeakPolarHBondContact O-CB 3.27Å; V166-K169 PolarHBondContact O-N 3.26Å; L167-K169 VanDerWaalsContact C-N 3.28Å; L167-K169 PolarHBondContact O-N 2.88Å; K169-K173 VanDerWaalsContact O-CB 3.31Å; K169-K173 WeakPolarHBondContact O-CB 3.45Å; K169-K173 PolarHBondContact O-N 2.8Å
170	L	77.6	Confident	75.2	Confident	10 Å²	10	77.9 Å²	77.9	5%	0.052	37%	0.372	C	S	.	.	H	α-helix	trans	-65.2	-50.9	174.4	177.6	60	0	0	0	111.1	I159 V166 L167 K172 K173 L174 L181	I159-L170 HydrophobicContact CD1-CB 4.49Å; I159-L170 HydrophobicContact CD1-CD1 3.67Å; I159-L170 HydrophobicContact CD1-CD2 3.82Å; I159-L170 HydrophobicContact CD1-CG 4.18Å; I159-L170 HydrophobicContact CG2-CD2 4.31Å; V166-L170 PolarHBondContact O-N 3.21Å; L167-L170 WeakPolarHBondContact O-CB 3.46Å; L167-L170 PolarHBondContact O-N 3.29Å; L167-L170 VanDerWaalsContact O-N 3.12Å; L170-K172 PolarHBondContact O-N 3.46Å; L170-K173 WeakPolarHBondContact O-CA 3.33Å; L170-K173 WeakPolarHBondContact O-CB 3.18Å; L170-K173 PolarHBondContact O-N 3.36Å; L170-L174 HydrophobicContact CD1-CD1 3.89Å; L170-L174 HydrophobicContact CD1-CD2 4.41Å; L170-L174 HydrophobicContact CD1-CG 3.91Å; L170-L174 HydrophobicContact CG-CD1 3.9Å; L170-L174 HydrophobicContact CG-CG 4.32Å; L170-L174 WeakPolarHBondContact O-CG 3.3Å; L170-L174 PolarHBondContact O-N 3.31Å; L170-L181 HydrophobicContact CD2-CD1 3.87Å; L170-L181 HydrophobicContact CG-CD1 4.25Å
171	A	78.4	Confident	76.3	Confident	21 Å²	21	75.1 Å²	75.1	17%	0.174	36%	0.361	C	S	.	.	H	α-helix	trans	-52.4	-55	176.2	0	0	0	0	0	111.1	L167 K173 L174 E175 L181	L167-A171 WeakPolarHBondContact O-CB 3.32Å; L167-A171 PolarHBondContact O-N 3.18Å; A171-K173 PolarHBondContact O-N 3.41Å; A171-K173 VanDerWaalsContact O-N 3.15Å; A171-L174 PolarHBondContact O-N 3.08Å; A171-E175 WeakPolarHBondContact O-CB 3.46Å; A171-E175 VanDerWaalsContact O-CG 3.3Å; A171-E175 WeakPolarHBondContact O-CG 3.4Å; A171-E175 PolarHBondContact O-N 3.43Å; A171-L181 HydrophobicContact CB-CD2 4.22Å
172	K	81.7	Confident	77.4	Confident	132 Å²	132	75.7 Å²	75.7	57%	0.574	36%	0.362	S	S	*	.	H	α-helix	trans	-58.7	-29.5	176.3	-72.3	179.2	179.3	-172	0	114.3	K168 L170 R176	K168-K172 WeakPolarHBondContact O-CB 3.08Å; K168-K172 VanDerWaalsContact O-CG 3.31Å; K168-K172 WeakPolarHBondContact O-CG 3.44Å; K168-K172 PolarHBondContact O-N 3.36Å; K168-K172 VanDerWaalsContact O-N 3.15Å; L170-K172 PolarHBondContact O-N 3.46Å; K172-R176 WeakPolarHBondContact O-CB 3.41Å; K172-R176 WeakPolarHBondContact O-CD 3.27Å; K172-R176 WeakPolarHBondContact O-CG 3.44Å; K172-R176 PolarHBondContact O-N 3.34Å
173	K	80.8	Confident	78.5	Confident	113 Å²	113	78 Å²	78	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-75.2	-39.6	175.3	179.6	-174	171.4	-167.8	0	111.4	K169 L170 A171 Q177	K169-K173 VanDerWaalsContact O-CB 3.31Å; K169-K173 WeakPolarHBondContact O-CB 3.45Å; K169-K173 PolarHBondContact O-N 2.8Å; L170-K173 WeakPolarHBondContact O-CA 3.33Å; L170-K173 WeakPolarHBondContact O-CB 3.18Å; L170-K173 PolarHBondContact O-N 3.36Å; A171-K173 PolarHBondContact O-N 3.41Å; A171-K173 VanDerWaalsContact O-N 3.15Å; K173-Q177 VanDerWaalsContact O-CG 3.29Å; K173-Q177 WeakPolarHBondContact O-CG 3.47Å; K173-Q177 PolarHBondContact O-N 2.97Å
174	L	79.3	Confident	78.9	Confident	1 Å²	1	77.9 Å²	77.9	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-72.9	-41.7	178.3	-66.5	176	0	0	0	111.5	L170 A171 R176 Q177 Q178 I179 L181 S273 Q277	L170-L174 HydrophobicContact CD1-CD1 3.89Å; L170-L174 HydrophobicContact CD1-CD2 4.41Å; L170-L174 HydrophobicContact CD1-CG 3.91Å; L170-L174 HydrophobicContact CG-CD1 3.9Å; L170-L174 HydrophobicContact CG-CG 4.32Å; L170-L174 WeakPolarHBondContact O-CG 3.3Å; L170-L174 PolarHBondContact O-N 3.31Å; A171-L174 PolarHBondContact O-N 3.08Å; L174-R176 PolarHBondContact O-N 3Å; L174-Q177 CarbonylContact O-C 3.49Å; L174-Q177 VanDerWaalsContact O-C 3.25Å; L174-Q177 VanDerWaalsContact O-CA 3.3Å; L174-Q177 WeakPolarHBondContact O-CA 3.45Å; L174-Q177 WeakPolarHBondContact O-CB 3.32Å; L174-Q177 PolarHBondContact O-N 3.42Å; L174-Q178 PolarHBondContact O-N 2.95Å; L174-I179 CarbonylContact C-O 3.54Å; L174-I179 VanDerWaalsContact C-O 3.32Å; L174-I179 HydrophobicContact CB-CB 4.41Å; L174-I179 WeakPolarHBondContact CB-O 3.41Å; L174-I179 HydrophobicContact CD2-CB 4.22Å; L174-I179 HydrophobicContact CD2-CG2 4.05Å; L174-I179 PolarHBondContact O-N 3.06Å; L174-L181 HydrophobicContact CD1-CB 4Å; L174-L181 HydrophobicContact CD1-CD1 3.65Å; L174-L181 HydrophobicContact CD1-CG 4.42Å; L174-S273 VanDerWaalsContact CD2-OG 3.31Å; L174-S273 WeakPolarHBondContact CD2-OG 3.45Å; L174-Q277 HydrophobicContact CD1-CG 4.17Å; L174-Q277 HydrophobicContact CD2-CG 4.26Å
175	E	79.2	Confident	79.5	Confident	127 Å²	127	77.1 Å²	77.1	59%	0.593	36%	0.36	S	S	*	.	H	α-helix	trans	-53.6	-48.8	170.2	-73	162.3	-164.1	0	0	111.6	A171 Q177 Q178	A171-E175 WeakPolarHBondContact O-CB 3.46Å; A171-E175 VanDerWaalsContact O-CG 3.3Å; A171-E175 WeakPolarHBondContact O-CG 3.4Å; A171-E175 PolarHBondContact O-N 3.43Å; E175-Q177 PolarHBondContact O-N 2.85Å; E175-Q178 PolarHBondContact O-N 3.16Å
176	R	78.9	Confident	79.7	Confident	223 Å²	223	74.6 Å²	74.6	84%	0.842	36%	0.355	S	S	*	.	H	α-helix	trans	-61.8	-23.8	173.7	-76.4	172.6	178.4	-159.4	-2.6	113.9	K172 L174	K172-R176 WeakPolarHBondContact O-CB 3.41Å; K172-R176 WeakPolarHBondContact O-CD 3.27Å; K172-R176 WeakPolarHBondContact O-CG 3.44Å; K172-R176 PolarHBondContact O-N 3.34Å; L174-R176 PolarHBondContact O-N 3Å
177	Q	78.6	Confident	79.9	Confident	37 Å²	37	78.8 Å²	78.8	17%	0.173	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	2.1	175.1	-70.5	-179.9	-26.9	0	0	112.5	K173 L174 E175 I179 V214 P270 S273	K173-Q177 VanDerWaalsContact O-CG 3.29Å; K173-Q177 WeakPolarHBondContact O-CG 3.47Å; K173-Q177 PolarHBondContact O-N 2.97Å; L174-Q177 CarbonylContact O-C 3.49Å; L174-Q177 VanDerWaalsContact O-C 3.25Å; L174-Q177 VanDerWaalsContact O-CA 3.3Å; L174-Q177 WeakPolarHBondContact O-CA 3.45Å; L174-Q177 WeakPolarHBondContact O-CB 3.32Å; L174-Q177 PolarHBondContact O-N 3.42Å; E175-Q177 PolarHBondContact O-N 2.85Å; Q177-I179 HydrophobicContact CB-CD1 3.81Å; Q177-I179 HydrophobicContact CB-CG1 4.23Å; Q177-I179 PolarHBondContact O-N 3.27Å; Q177-V214 WeakPolarHBondContact O-CG1 3.43Å; Q177-P270 HydrophobicContact CB-CB 4.12Å; Q177-P270 HydrophobicContact CG-CB 4.22Å; Q177-S273 PolarHBondContact OE1-OG 2.97Å
178	Q	77.4	Confident	80.2	Confident	133 Å²	133	77.9 Å²	77.9	62%	0.621	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	35	-175	-57.5	171.9	16.3	0	0	113	L174 E175 V214	L174-Q178 PolarHBondContact O-N 2.95Å; E175-Q178 PolarHBondContact O-N 3.16Å; Q178-V214 HydrophobicContact CB-CG1 3.83Å; Q178-V214 HydrophobicContact CB-CG2 3.97Å
179	I	78.7	Confident	80.5	Confident	5 Å²	5	74 Å²	74	3%	0.026	35%	0.349	C	S	.	.			trans	-109.3	129.6	176.2	-65.3	161.9	0	0	0	107.8	L174 Q177 L204 I215 P270 F274	L174-I179 CarbonylContact C-O 3.54Å; L174-I179 VanDerWaalsContact C-O 3.32Å; L174-I179 HydrophobicContact CB-CB 4.41Å; L174-I179 WeakPolarHBondContact CB-O 3.41Å; L174-I179 HydrophobicContact CD2-CB 4.22Å; L174-I179 HydrophobicContact CD2-CG2 4.05Å; L174-I179 PolarHBondContact O-N 3.06Å; Q177-I179 HydrophobicContact CB-CD1 3.81Å; Q177-I179 HydrophobicContact CB-CG1 4.23Å; Q177-I179 PolarHBondContact O-N 3.27Å; I179-L204 HydrophobicContact CG2-CD2 4.41Å; I179-I215 HydrophobicContact CD1-CD1 4.19Å; I179-I215 HydrophobicContact CG1-CD1 4.06Å; I179-P270 HydrophobicContact CD1-CB 3.99Å; I179-P270 VanDerWaalsContact CD1-O 3.25Å; I179-P270 WeakPolarHBondContact CD1-O 3.31Å; I179-F274 HydrophobicContact CD1-CB 3.95Å; I179-F274 HydrophobicContact CG1-CB 4.38Å; I179-F274 HydrophobicContact CG2-CD2 4.39Å
180	P	76.8	Confident	80.9	Confident	30 Å²	30	71.6 Å²	71.6	20%	0.195	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-66.7	146.5	171.9	15.1	-16.3	0	0	0	111.5	L204 Q207 L208	P180-L204 HydrophobicContact CB-CD1 3.96Å; P180-L204 HydrophobicContact CG-CD1 3.73Å; P180-L204 HydrophobicContact CG-CG 4.2Å; P180-Q207 HydrophobicContact CB-CB 4.15Å; P180-Q207 VanDerWaalsContact CB-OE1 3.32Å; P180-Q207 HydrophobicContact CG-CB 3.82Å; P180-L208 HydrophobicContact CG-CD2 4.14Å
181	L	81.2	Confident	81.4	Confident	52 Å²	52	75.5 Å²	75.5	27%	0.272	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-80	127	168.5	175.6	63.2	0	0	0	108.9	L170 A171 L174	L170-L181 HydrophobicContact CD2-CD1 3.87Å; L170-L181 HydrophobicContact CG-CD1 4.25Å; A171-L181 HydrophobicContact CB-CD2 4.22Å; L174-L181 HydrophobicContact CD1-CB 4Å; L174-L181 HydrophobicContact CD1-CD1 3.65Å; L174-L181 HydrophobicContact CD1-CG 4.42Å
182	R	82.1	Confident	82	Confident	20 Å²	20	74.9 Å²	74.9	8%	0.075	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-74.8	128.9	172.8	-162.3	173.2	-175.2	-169.2	-3.2	109.3	Y198 S199 A202 L204 Q277 C278	R182-Y198 HydrophobicContact CB-CD1 4.17Å; R182-Y198 HydrophobicContact CB-CE1 3.73Å; R182-Y198 HydrophobicContact CG-CD1 3.75Å; R182-Y198 HydrophobicContact CG-CE1 3.85Å; R182-Y198 HydrophobicContact CG-CG 4.3Å; R182-Y198 VanDerWaalsContact CZ-CB 3.46Å; R182-S199 PolarHBondContact NH2-O 3.27Å; R182-A202 PolarHBondContact NE-O 2.91Å; R182-A202 PolarHBondContact NH2-O 3.09Å; R182-L204 HydrophobicContact CB-CD1 4.15Å; R182-Q277 WeakPolarHBondContact CD-O 3.44Å; R182-Q277 PolarHBondContact NH1-O 3.01Å; R182-C278 PolarHBondContact NH1-O 3.11Å
183	L	83.1	Confident	82.2	Confident	139 Å²	139	69.9 Å²	69.9	73%	0.728	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-73.8	144.7	174.9	-63.2	175.1	0	0	0	110.3
184	D	84.1	Confident	82.6	Confident	59 Å²	59	66.2 Å²	66.2	32%	0.316	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-66.8	150.7	169.6	-75.6	-60.2	0	0	0	111	K188 H196 Q197	D184-K188 VanDerWaalsContact OD1-CE 3.27Å; D184-K188 WeakPolarHBondContact OD1-CE 3.19Å; D184-K188 IonicContact OD1-NZ 2.68Å; D184-K188 PolarHBondContact OD1-NZ 3.49Å; D184-K188 WeakPolarHBondContact OD2-CE 3.4Å; D184-K188 IonicContact OD2-NZ 3.96Å; D184-K188 PolarHBondContact OD2-NZ 2.91Å; D184-H196 VanDerWaalsContact OD1-CA 3.3Å; D184-H196 WeakPolarHBondContact OD1-CA 3.47Å; D184-Q197 CarbonylContact C-O 3.58Å; D184-Q197 VanDerWaalsContact CA-O 3.27Å; D184-Q197 WeakPolarHBondContact CA-O 3.42Å; D184-Q197 PolarHBondContact OD1-N 3.19Å
185	Y	85	Confident	83	Confident	63 Å²	63	66.5 Å²	66.5	25%	0.247	33%	0.332	C	S	.	.			trans	-118.2	126.2	-175	-174	-103.3	0	0	0	112.5	Q197 S199 P472 D473 Q489	Y185-Q197 PolarHBondContact N-O 2.89Å; Y185-S199 VanDerWaalsContact CD1-CB 3.46Å; Y185-P472 HydrophobicContact CD1-CG 3.85Å; Y185-P472 HydrophobicContact CE1-CG 4.18Å; Y185-D473 PolarHBondContact OH-OD2 2.95Å; Y185-Q489 PolarHBondContact OH-NE2 3.34Å
186	G	81.1	Confident	83.4	Confident	37 Å²	37	62 Å²	62	38%	0.381	31%	0.311	S	S	.	.	S	Bend	trans	76.2	-176	175.5	0	0	0	0	0	114.7
187	Y	80.2	Confident	83.9	Confident	129 Å²	129	51.4 Å²	51.4	51%	0.506	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-78.6	123.1	175.9	176.3	-97.4	0	0	0	110.8
188	K	81.6	Confident	84.3	Confident	33 Å²	33	50.6 Å²	50.6	14%	0.143	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-84.7	134.5	175.9	-63.1	-169.8	-172.4	179.2	0	111.5	V161 D184 S190 S193 L195	V161-K188 VanDerWaalsContact CG1-NZ 3.32Å; D184-K188 VanDerWaalsContact OD1-CE 3.27Å; D184-K188 WeakPolarHBondContact OD1-CE 3.19Å; D184-K188 IonicContact OD1-NZ 2.68Å; D184-K188 PolarHBondContact OD1-NZ 3.49Å; D184-K188 WeakPolarHBondContact OD2-CE 3.4Å; D184-K188 IonicContact OD2-NZ 3.96Å; D184-K188 PolarHBondContact OD2-NZ 2.91Å; K188-S190 PolarHBondContact O-N 3.41Å; K188-S193 PolarHBondContact NZ-O 2.95Å; K188-L195 WeakPolarHBondContact CE-O 3.45Å; K188-L195 PolarHBondContact NZ-O 3.29Å
189	V	84.7	Confident	84.8	Confident	43 Å²	43	44.4 Å²	44.4	26%	0.261	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-62	129	167.2	176.5	0	0	0	0	109.6	L191 F192 S193 L497	V189-L191 PolarHBondContact O-N 2.97Å; V189-F192 HydrophobicContact CB-CD2 4.14Å; V189-F192 HydrophobicContact CG1-CD2 4.02Å; V189-F192 HydrophobicContact CG1-CE2 4.49Å; V189-F192 CarbonylContact O-C 3.47Å; V189-F192 PolarHBondContact O-N 2.95Å; V189-S193 PolarHBondContact O-N 3.01Å; V189-L497 HydrophobicContact CG2-CB 3.96Å; V189-L497 HydrophobicContact CG2-CD2 4.37Å
190	S	87.6	Confident	85.1	Confident	97 Å²	97	47.1 Å²	47.1	68%	0.678	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-49.7	-36.5	-172.9	-176.8	0	0	0	0	115.1	K188 F192 S193	K188-S190 PolarHBondContact O-N 3.41Å; S190-F192 VanDerWaalsContact C-N 3.26Å; S190-F192 PolarHBondContact O-N 3.2Å; S190-S193 PolarHBondContact O-OG 3.4Å
191	L	89.1	Confident	85.4	Confident	92 Å²	92	52.4 Å²	52.4	48%	0.482	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-65.9	-27.4	177.8	-175.2	60.9	0	0	0	113.5	V189 H194 F464	V189-L191 PolarHBondContact O-N 2.97Å; L191-H194 PolarHBondContact O-CE1 3.17Å; L191-H194 VanDerWaalsContact O-CE1 3.26Å; L191-H194 PolarHBondContact O-ND1 2.68Å; L191-F464 HydrophobicContact CD2-CD1 3.62Å; L191-F464 HydrophobicContact CD2-CD2 4.36Å; L191-F464 HydrophobicContact CD2-CE1 3.72Å; L191-F464 HydrophobicContact CD2-CE2 4.45Å; L191-F464 HydrophobicContact CD2-CG 3.96Å; L191-F464 HydrophobicContact CD2-CZ 4.14Å; L191-F464 HydrophobicContact CG-CD1 4.27Å; L191-F464 HydrophobicContact CG-CG 4.34Å
192	F	90.3	Very high	85.3	Confident	8 Å²	8	52.4 Å²	52.4	4%	0.035	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-112.1	10.3	-174	-57.7	-84.7	0	0	0	113	V189 S190 H194 L195 F464 L469 L497 L499	V189-F192 HydrophobicContact CB-CD2 4.14Å; V189-F192 HydrophobicContact CG1-CD2 4.02Å; V189-F192 HydrophobicContact CG1-CE2 4.49Å; V189-F192 CarbonylContact O-C 3.47Å; V189-F192 PolarHBondContact O-N 2.95Å; S190-F192 VanDerWaalsContact C-N 3.26Å; S190-F192 PolarHBondContact O-N 3.2Å; F192-H194 PolarHBondContact O-N 3.37Å; F192-H194 VanDerWaalsContact O-N 3.17Å; F192-L195 HydrophobicContact CB-CD1 4.45Å; F192-L195 HydrophobicContact CD1-CD1 3.9Å; F192-L195 WeakPolarHBondContact O-CB 3.33Å; F192-L195 PolarHBondContact O-N 2.91Å; F192-F464 HydrophobicContact CE1-CB 4.46Å; F192-F464 AromaticContact CE1-CD1 3.64Å; F192-F464 HydrophobicContact CE1-CD1 3.64Å; F192-F464 HydrophobicContact CE1-CE1 4.46Å; F192-F464 HydrophobicContact CE2-CD1 4.47Å; F192-F464 AromaticContact CZ-CD1 3.46Å; F192-F464 HydrophobicContact CZ-CD1 3.46Å; F192-F464 VanDerWaalsContact CZ-CD1 3.46Å; F192-F464 AromaticContact CZ-CE1 3.88Å; F192-F464 HydrophobicContact CZ-CE1 3.88Å; F192-L469 HydrophobicContact CB-CD1 4.29Å; F192-L469 HydrophobicContact CB-CD2 4.38Å; F192-L469 HydrophobicContact CD1-CD2 4.38Å; F192-L497 HydrophobicContact CB-CD1 4.42Å; F192-L497 HydrophobicContact CD2-CD1 3.84Å; F192-L497 HydrophobicContact CD2-CD2 3.65Å; F192-L497 HydrophobicContact CD2-CG 4.42Å; F192-L497 HydrophobicContact CE2-CD1 4.26Å; F192-L497 HydrophobicContact CE2-CD2 3.31Å; F192-L497 HydrophobicContact CE2-CG 4.42Å; F192-L497 HydrophobicContact CG-CD1 4.09Å; F192-L497 HydrophobicContact CZ-CD2 3.99Å; F192-L499 HydrophobicContact CD1-CD2 3.9Å; F192-L499 HydrophobicContact CE1-CD1 3.99Å; F192-L499 HydrophobicContact CE1-CD2 3.51Å; F192-L499 HydrophobicContact CE1-CG 4.37Å; F192-L499 HydrophobicContact CZ-CD1 3.83Å; F192-L499 HydrophobicContact CZ-CD2 3.93Å; F192-L499 HydrophobicContact CZ-CG 4.4Å
193	S	87.4	Confident	85.1	Confident	27 Å²	27	52.4 Å²	52.4	19%	0.189	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.7	-178.5	58.2	0	0	0	0	112.2	D162 K188 V189 S190 L195	D162-S193 WeakPolarHBondContact OD1-CA 3.36Å; D162-S193 WeakPolarHBondContact OD1-CB 3.27Å; D162-S193 PolarHBondContact OD1-OG 2.98Å; D162-S193 PolarHBondContact OD2-OG 3.36Å; K188-S193 PolarHBondContact NZ-O 2.95Å; V189-S193 PolarHBondContact O-N 3.01Å; S190-S193 PolarHBondContact O-OG 3.4Å; S193-L195 PolarHBondContact O-N 3.48Å
194	H	87.5	Confident	84.9	Confident	36 Å²	36	46 Å²	46	17%	0.167	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.1	175	70.5	-82.2	0	0	0	115.4	V161 D162 L191 F192 F464 V465	V161-H194 WeakPolarHBondContact CB-O 3.47Å; V161-H194 WeakPolarHBondContact CG2-O 3.49Å; V161-H194 PolarHBondContact N-O 3.45Å; V161-H194 VanDerWaalsContact N-O 3.1Å; D162-H194 PolarHBondContact OD1-N 2.69Å; D162-H194 VanDerWaalsContact OD1-N 3.1Å; D162-H194 WeakPolarHBondContact OD2-CA 2.92Å; D162-H194 VanDerWaalsContact OD2-CB 3.25Å; D162-H194 WeakPolarHBondContact OD2-CB 3.25Å; D162-H194 PolarHBondContact OD2-N 2.99Å; D162-H194 VanDerWaalsContact OD2-N 3.1Å; L191-H194 PolarHBondContact O-CE1 3.17Å; L191-H194 VanDerWaalsContact O-CE1 3.26Å; L191-H194 PolarHBondContact O-ND1 2.68Å; F192-H194 PolarHBondContact O-N 3.37Å; F192-H194 VanDerWaalsContact O-N 3.17Å; H194-F464 PolarHBondContact CE1-O 3.14Å; H194-F464 VanDerWaalsContact CE1-O 3.24Å; H194-F464 PolarHBondContact NE2-O 3.21Å; H194-V465 PolarHBondContact NE2-O 3.38Å
195	L	89	Confident	84.4	Confident	7 Å²	7	44.7 Å²	44.7	4%	0.037	24%	0.238	C	C	.	.	S	Bend	trans	-94.7	151.4	176	-57.8	-178.8	0	0	0	110.5	K188 F192 S193 N467 L469	K188-L195 WeakPolarHBondContact CE-O 3.45Å; K188-L195 PolarHBondContact NZ-O 3.29Å; F192-L195 HydrophobicContact CB-CD1 4.45Å; F192-L195 HydrophobicContact CD1-CD1 3.9Å; F192-L195 WeakPolarHBondContact O-CB 3.33Å; F192-L195 PolarHBondContact O-N 2.91Å; S193-L195 PolarHBondContact O-N 3.48Å; L195-N467 HydrophobicContact CD1-CB 3.73Å; L195-L469 HydrophobicContact CB-CD1 3.81Å; L195-L469 HydrophobicContact CB-CG 3.96Å; L195-L469 HydrophobicContact CD1-CD2 4.01Å; L195-L469 HydrophobicContact CD1-CG 4.06Å
196	H	87.3	Confident	83.9	Confident	32 Å²	32	48.5 Å²	48.5	15%	0.148	26%	0.258	C	S	.	.			trans	-80.2	137.4	173.8	-59.3	80.5	0	0	0	109.9	V161 D184 Y198	V161-H196 WeakPolarHBondContact CG2-CE1 3.16Å; V161-H196 WeakPolarHBondContact CG2-ND1 3.46Å; V161-H196 WeakPolarHBondContact CG2-NE2 3.37Å; D184-H196 VanDerWaalsContact OD1-CA 3.3Å; D184-H196 WeakPolarHBondContact OD1-CA 3.47Å; H196-Y198 HydrophobicContact CB-CE1 3.97Å; H196-Y198 HydrophobicContact CB-CE2 3.82Å; H196-Y198 AromaticContact CD2-CZ 3.86Å; H196-Y198 PolarHBondContact CD2-OH 3.35Å; H196-Y198 AromaticContact CG-CZ 3.93Å
197	Q	88.3	Confident	83.4	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.266	C	S	.	.			trans	-124.6	118	177.1	-169.8	166.8	0.9	0	0	108.7	D184 Y185 L469 L496	D184-Q197 CarbonylContact C-O 3.58Å; D184-Q197 VanDerWaalsContact CA-O 3.27Å; D184-Q197 WeakPolarHBondContact CA-O 3.42Å; D184-Q197 PolarHBondContact OD1-N 3.19Å; Y185-Q197 PolarHBondContact N-O 2.89Å; Q197-L469 HydrophobicContact CB-CB 4.26Å; Q197-L469 HydrophobicContact CB-CD1 3.78Å; Q197-L469 HydrophobicContact CG-CB 4.17Å; Q197-L469 HydrophobicContact CG-CD1 4.2Å; Q197-L496 PolarHBondContact NE2-O 2.99Å
198	Y	88.9	Confident	83.1	Confident	19 Å²	19	47.6 Å²	47.6	8%	0.075	25%	0.249	C	C	.	.			trans	-126.7	140	-173.2	-54.8	-52.6	0	0	0	111.7	R182 H196 Q277	R182-Y198 HydrophobicContact CB-CD1 4.17Å; R182-Y198 HydrophobicContact CB-CE1 3.73Å; R182-Y198 HydrophobicContact CG-CD1 3.75Å; R182-Y198 HydrophobicContact CG-CE1 3.85Å; R182-Y198 HydrophobicContact CG-CG 4.3Å; R182-Y198 VanDerWaalsContact CZ-CB 3.46Å; H196-Y198 HydrophobicContact CB-CE1 3.97Å; H196-Y198 HydrophobicContact CB-CE2 3.82Å; H196-Y198 AromaticContact CD2-CZ 3.86Å; H196-Y198 PolarHBondContact CD2-OH 3.35Å; H196-Y198 AromaticContact CG-CZ 3.93Å; Y198-Q277 PolarHBondContact OH-OE1 3.15Å
199	S	87.5	Confident	82.5	Confident	3 Å²	3	51 Å²	51	2%	0.021	28%	0.277	C	S	.	.			trans	-87.9	143.6	168.3	178.7	0	0	0	0	112.6	R182 Y185 K201 A202 D471	R182-S199 PolarHBondContact NH2-O 3.27Å; Y185-S199 VanDerWaalsContact CD1-CB 3.46Å; S199-K201 PolarHBondContact O-N 2.76Å; S199-K201 WeakPolarHBondContact OG-CB 3.31Å; S199-K201 PolarHBondContact OG-N 3.12Å; S199-K201 VanDerWaalsContact OG-N 3.17Å; S199-A202 PolarHBondContact O-N 3.12Å; S199-D471 VanDerWaalsContact CA-OD2 3.22Å; S199-D471 WeakPolarHBondContact CA-OD2 3.38Å; S199-D471 WeakPolarHBondContact CB-OD2 3.2Å; S199-D471 PolarHBondContact OG-OD2 2.98Å
200	R	85.3	Confident	81.8	Confident	63 Å²	63	56.9 Å²	56.9	24%	0.238	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.6	174	-50.8	-167.4	-158.6	106.6	3.5	112.9	A202 S227 D470 D471 D474	R200-A202 PolarHBondContact O-N 3.08Å; R200-S227 WeakPolarHBondContact CD-O 3.22Å; R200-S227 WeakPolarHBondContact CG-O 3.41Å; R200-D470 IonicContact CZ-OD1 3.71Å; R200-D470 IonicContact NE-OD1 3.71Å; R200-D470 IonicContact NH2-OD1 3.97Å; R200-D470 PolarHBondContact NH2-OD1 3.11Å; R200-D470 IonicContact NH2-OD2 3.36Å; R200-D470 PolarHBondContact NH2-OD2 3.45Å; R200-D471 HydrophobicContact CG-CB 4.35Å; R200-D471 PolarHBondContact N-OD2 3.24Å; R200-D474 IonicContact CZ-OD1 3.12Å; R200-D474 IonicContact CZ-OD2 3.67Å; R200-D474 VanDerWaalsContact CZ-OD2 3.3Å; R200-D474 VanDerWaalsContact NH1-CG 3.27Å; R200-D474 IonicContact NH1-OD1 2.77Å; R200-D474 PolarHBondContact NH1-OD1 2.92Å; R200-D474 IonicContact NH1-OD2 3.72Å; R200-D474 PolarHBondContact NH1-OD2 2.81Å; R200-D474 IonicContact NH2-OD1 2.74Å; R200-D474 IonicContact NH2-OD2 2.78Å; R200-D474 PolarHBondContact NH2-OD2 3.25Å
201	K	82.4	Confident	80.6	Confident	141 Å²	141	57.4 Å²	57.4	61%	0.613	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.4	175.7	-64.6	172.4	178.7	171.6	0	112.5	S199 P203 D473	S199-K201 PolarHBondContact O-N 2.76Å; S199-K201 WeakPolarHBondContact OG-CB 3.31Å; S199-K201 PolarHBondContact OG-N 3.12Å; S199-K201 VanDerWaalsContact OG-N 3.17Å; K201-P203 VanDerWaalsContact O-CD 3.28Å; K201-P203 WeakPolarHBondContact O-CD 3.29Å; K201-D473 WeakPolarHBondContact CE-OD2 3.44Å; K201-D473 IonicContact NZ-OD2 2.64Å; K201-D473 PolarHBondContact NZ-OD2 3.3Å
202	A	79.2	Confident	79.3	Confident	52 Å²	52	54.6 Å²	54.6	43%	0.43	30%	0.295	S	S	.	.	S	Bend	trans	-116	81.1	178.1	0	0	0	0	0	111.3	R182 S199 R200	R182-A202 PolarHBondContact NE-O 2.91Å; R182-A202 PolarHBondContact NH2-O 3.09Å; S199-A202 PolarHBondContact O-N 3.12Å; R200-A202 PolarHBondContact O-N 3.08Å
203	P	77.4	Confident	78.1	Confident	20 Å²	20	60.6 Å²	60.6	13%	0.13	33%	0.332	C	S	.	.			trans	-74	139	174.1	30.6	-34.3	0	0	0	111.3	K201 T205 Q206	K201-P203 VanDerWaalsContact O-CD 3.28Å; K201-P203 WeakPolarHBondContact O-CD 3.29Å; P203-T205 PolarHBondContact O-N 3.24Å; P203-Q206 HydrophobicContact CG-CG 4.13Å; P203-Q206 PolarHBondContact O-N 3.1Å; P203-Q206 VanDerWaalsContact O-N 3.08Å
204	L	79.3	Confident	77.8	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.021	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-55.5	-26.4	-176.6	-171.6	60.8	0	0	0	114.1	I179 P180 R182 Q206 Q207 F274 Q277	I179-L204 HydrophobicContact CG2-CD2 4.41Å; P180-L204 HydrophobicContact CB-CD1 3.96Å; P180-L204 HydrophobicContact CG-CD1 3.73Å; P180-L204 HydrophobicContact CG-CG 4.2Å; R182-L204 HydrophobicContact CB-CD1 4.15Å; L204-Q206 PolarHBondContact O-N 3.23Å; L204-Q207 PolarHBondContact O-N 3.43Å; L204-F274 HydrophobicContact CD2-CD2 3.89Å; L204-F274 HydrophobicContact CD2-CE2 3.88Å; L204-F274 HydrophobicContact CG-CE2 4.34Å; L204-Q277 HydrophobicContact CD2-CB 3.71Å
205	T	74.5	Confident	77.8	Confident	32 Å²	32	59.9 Å²	59.9	20%	0.196	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-68.1	-16.8	-179.9	54.4	0	0	0	0	114.4	P203 Q207 L208 V220 L224 F274	P203-T205 PolarHBondContact O-N 3.24Å; T205-Q207 PolarHBondContact O-N 3.4Å; T205-L208 HydrophobicContact CG2-CD1 4.45Å; T205-L208 PolarHBondContact O-N 3.14Å; T205-V220 HydrophobicContact CG2-CG1 3.82Å; T205-L224 HydrophobicContact CG2-CD1 4.19Å; T205-L224 HydrophobicContact CG2-CD2 4.06Å; T205-L224 HydrophobicContact CG2-CG 3.82Å; T205-L224 WeakPolarHBondContact OG1-CD2 3.39Å; T205-F274 HydrophobicContact CG2-CZ 4.19Å
206	Q	73.3	Confident	77.9	Confident	142 Å²	142	61.1 Å²	61.1	66%	0.664	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-62.7	-22.8	171.4	-76.6	171.7	-11.8	0	0	112.5	P203 L204	P203-Q206 HydrophobicContact CG-CG 4.13Å; P203-Q206 PolarHBondContact O-N 3.1Å; P203-Q206 VanDerWaalsContact O-N 3.08Å; L204-Q206 PolarHBondContact O-N 3.23Å
207	Q	70.5	Confident	78.1	Confident	119 Å²	119	63.6 Å²	63.6	56%	0.556	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-98.9	4.1	-179.3	-62.7	174.8	-17.8	0	0	112.9	P180 L204 T205	P180-Q207 HydrophobicContact CB-CB 4.15Å; P180-Q207 VanDerWaalsContact CB-OE1 3.32Å; P180-Q207 HydrophobicContact CG-CB 3.82Å; L204-Q207 PolarHBondContact O-N 3.43Å; T205-Q207 PolarHBondContact O-N 3.4Å
208	L	75.3	Confident	78.4	Confident	29 Å²	29	64 Å²	64	15%	0.152	36%	0.357	C	S	.	.	S	Bend	trans	-101.7	128.9	177.6	-69.4	179.6	0	0	0	110.8	P180 T205 F274	P180-L208 HydrophobicContact CG-CD2 4.14Å; T205-L208 HydrophobicContact CG2-CD1 4.45Å; T205-L208 PolarHBondContact O-N 3.14Å; L208-F274 HydrophobicContact CD1-CD2 4.45Å; L208-F274 HydrophobicContact CD1-CE2 3.67Å; L208-F274 HydrophobicContact CD1-CZ 4.22Å
209	S	67.4	Low	78.6	Confident	103 Å²	103	63.1 Å²	63.1	72%	0.72	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-64.4	141	173	-48.5	0	0	0	0	111.5	P211 S212	S209-P211 CarbonylContact O-C 3.27Å; S209-P211 VanDerWaalsContact O-C 3.27Å; S209-S212 VanDerWaalsContact O-CA 3.3Å; S209-S212 WeakPolarHBondContact O-CA 3.5Å; S209-S212 PolarHBondContact O-N 2.93Å
210	I	70	Confident	78.9	Confident	168 Å²	168	64 Å²	64	86%	0.862	36%	0.359	S	S	*	.	S	Bend	trans	-102.3	127.6	172.7	-58.8	175.7	0	0	0	107.9
211	P	62.5	Low	79.2	Confident	107 Å²	107	68.7 Å²	68.7	70%	0.695	38%	0.376	S	S	*	.	S	Bend	cis	-76.7	139.8	-3	31.9	-34.4	0	0	0	112.6	S209 T213	S209-P211 CarbonylContact O-C 3.27Å; S209-P211 VanDerWaalsContact O-C 3.27Å; P211-T213 PolarHBondContact O-N 3.1Å
212	S	61.6	Low	79.8	Confident	34 Å²	34	62.2 Å²	62.2	24%	0.238	35%	0.348	C	S	.	.			trans	-78.4	83.4	-179.3	61.4	0	0	0	0	111.5	S209 V214 I215	S209-S212 VanDerWaalsContact O-CA 3.3Å; S209-S212 WeakPolarHBondContact O-CA 3.5Å; S209-S212 PolarHBondContact O-N 2.93Å; S212-V214 PolarHBondContact O-N 2.91Å; S212-V214 VanDerWaalsContact O-N 3.13Å; S212-I215 PolarHBondContact O-N 3.17Å; S212-I215 VanDerWaalsContact O-O 3.07Å; S212-I215 PolarHBondContact OG-O 3.24Å
213	T	65.5	Low	80.5	Confident	133 Å²	133	59.7 Å²	59.7	82%	0.816	33%	0.328	S	S	*	.	S	Bend	trans	-59.6	-22.7	179.9	53.5	0	0	0	0	114.1	P211	P211-T213 PolarHBondContact O-N 3.1Å
214	V	80.5	Confident	81.2	Confident	46 Å²	46	61.1 Å²	61.1	28%	0.279	33%	0.334	S	S	.	.	S	Bend	trans	-80.4	-41.3	-176.1	-173.8	0	0	0	0	113.2	Q177 Q178 S212	Q177-V214 WeakPolarHBondContact O-CG1 3.43Å; Q178-V214 HydrophobicContact CB-CG1 3.83Å; Q178-V214 HydrophobicContact CB-CG2 3.97Å; S212-V214 PolarHBondContact O-N 2.91Å; S212-V214 VanDerWaalsContact O-N 3.13Å
215	I	87.7	Confident	81.9	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	35%	0.348	C	S	.	.	S	Bend	trans	-120.1	127.9	-170.3	-53.8	-63.9	0	0	0	109.3	I179 S212 I219 V220 P270 Y271 F274	I179-I215 HydrophobicContact CD1-CD1 4.19Å; I179-I215 HydrophobicContact CG1-CD1 4.06Å; S212-I215 PolarHBondContact O-N 3.17Å; S212-I215 VanDerWaalsContact O-O 3.07Å; S212-I215 PolarHBondContact OG-O 3.24Å; I215-I219 HydrophobicContact CG2-CB 3.98Å; I215-I219 HydrophobicContact CG2-CG2 3.74Å; I215-V220 HydrophobicContact CB-CG2 3.93Å; I215-V220 HydrophobicContact CG2-CG2 3.66Å; I215-P270 HydrophobicContact CD1-CB 4.38Å; I215-Y271 HydrophobicContact CD1-CD1 3.89Å; I215-Y271 HydrophobicContact CD1-CE1 4.25Å; I215-Y271 HydrophobicContact CG2-CD1 4.17Å; I215-F274 HydrophobicContact CD1-CB 4.34Å; I215-F274 HydrophobicContact CG2-CD1 4.13Å; I215-F274 HydrophobicContact CG2-CE1 4.48Å; I215-F274 HydrophobicContact CG2-CG 4.35Å
216	H	91.6	Very high	82.8	Confident	34 Å²	34	62.6 Å²	62.6	16%	0.157	34%	0.339	C	S	.	.			trans	-56.1	134	-177.7	-164.6	-100.4	0	0	0	112.1	A218 I219 V220 V248 D251 Y271	H216-A218 WeakPolarHBondContact ND1-CB 3.47Å; H216-A218 PolarHBondContact ND1-N 3.37Å; H216-A218 PolarHBondContact O-N 3.13Å; H216-A218 VanDerWaalsContact O-N 3.09Å; H216-I219 HydrophobicContact CB-CB 4.43Å; H216-I219 HydrophobicContact CB-CG1 4.06Å; H216-I219 WeakPolarHBondContact O-CA 3.41Å; H216-I219 WeakPolarHBondContact O-CB 3.45Å; H216-I219 PolarHBondContact O-N 2.78Å; H216-V220 PolarHBondContact O-N 3Å; H216-V220 VanDerWaalsContact O-N 3.11Å; H216-V248 HydrophobicContact CB-CG2 3.81Å; H216-D251 IonicContact CE1-OD2 2.7Å; H216-D251 PolarHBondContact CE1-OD2 2.85Å; H216-D251 WeakPolarHBondContact NE2-CB 3.47Å; H216-D251 IonicContact NE2-OD2 3.23Å; H216-D251 PolarHBondContact NE2-OD2 3.04Å; H216-Y271 HydrophobicContact CB-CE2 4.18Å
217	P	91.9	Very high	83.7	Confident	84 Å²	84	56.4 Å²	56.4	55%	0.545	31%	0.311	S	S	.	.	H	α-helix	trans	-54.9	-34.9	-175.1	-29.3	36	0	0	0	114.6	I219 V220 R221	P217-I219 VanDerWaalsContact C-N 3.31Å; P217-I219 PolarHBondContact O-N 2.88Å; P217-V220 PolarHBondContact O-N 2.82Å; P217-R221 WeakPolarHBondContact O-CB 3.37Å; P217-R221 PolarHBondContact O-N 2.62Å
218	A	93.9	Very high	84.6	Confident	9 Å²	9	55.6 Å²	55.6	7%	0.074	31%	0.307	C	S	.	.	H	α-helix	trans	-60.3	-38.7	173.9	0	0	0	0	0	113.1	H216 L222 A244 Q247	H216-A218 WeakPolarHBondContact ND1-CB 3.47Å; H216-A218 PolarHBondContact ND1-N 3.37Å; H216-A218 PolarHBondContact O-N 3.13Å; H216-A218 VanDerWaalsContact O-N 3.09Å; A218-L222 WeakPolarHBondContact O-CB 3.27Å; A218-L222 PolarHBondContact O-N 2.88Å; A218-A244 HydrophobicContact CB-CB 4.46Å; A218-Q247 HydrophobicContact CB-CB 3.99Å
219	I	94.4	Very high	85.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-74.2	-38.8	179.6	-61.4	-66.6	0	0	0	110.4	I215 H216 P217 L222 G223 A244 F245 V248 Y271 F274 L275	I215-I219 HydrophobicContact CG2-CB 3.98Å; I215-I219 HydrophobicContact CG2-CG2 3.74Å; H216-I219 HydrophobicContact CB-CB 4.43Å; H216-I219 HydrophobicContact CB-CG1 4.06Å; H216-I219 WeakPolarHBondContact O-CA 3.41Å; H216-I219 WeakPolarHBondContact O-CB 3.45Å; H216-I219 PolarHBondContact O-N 2.78Å; P217-I219 VanDerWaalsContact C-N 3.31Å; P217-I219 PolarHBondContact O-N 2.88Å; I219-L222 PolarHBondContact O-N 3.38Å; I219-G223 PolarHBondContact O-N 3.27Å; I219-A244 HydrophobicContact CD1-CB 4Å; I219-F245 HydrophobicContact CD1-CD1 4.07Å; I219-F245 HydrophobicContact CD1-CE1 4.13Å; I219-V248 HydrophobicContact CD1-CG2 4.03Å; I219-V248 HydrophobicContact CG1-CG2 3.71Å; I219-Y271 HydrophobicContact CG1-CD2 4.15Å; I219-Y271 HydrophobicContact CG1-CG 4.14Å; I219-Y271 HydrophobicContact CG2-CG 4.44Å; I219-F274 HydrophobicContact CG2-CD1 3.84Å; I219-F274 HydrophobicContact CG2-CE1 4.36Å; I219-L275 HydrophobicContact CD1-CD1 4.29Å; I219-L275 HydrophobicContact CG2-CD1 4.24Å; I219-L275 HydrophobicContact CG2-CD2 4.08Å; I219-L275 HydrophobicContact CG2-CG 3.93Å
220	V	92.2	Very high	86.4	Confident	22 Å²	22	55.4 Å²	55.4	13%	0.133	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-47.2	173.5	-177.2	0	0	0	0	110.8	T205 I215 H216 P217 L222 G223 L224	T205-V220 HydrophobicContact CG2-CG1 3.82Å; I215-V220 HydrophobicContact CB-CG2 3.93Å; I215-V220 HydrophobicContact CG2-CG2 3.66Å; H216-V220 PolarHBondContact O-N 3Å; H216-V220 VanDerWaalsContact O-N 3.11Å; P217-V220 PolarHBondContact O-N 2.82Å; V220-L222 VanDerWaalsContact C-N 3.34Å; V220-L222 PolarHBondContact O-N 2.92Å; V220-G223 PolarHBondContact O-N 3.13Å; V220-L224 HydrophobicContact CG1-CD1 4.45Å; V220-L224 PolarHBondContact O-N 3Å
221	R	93.1	Very high	87.5	Confident	161 Å²	161	48.6 Å²	48.6	61%	0.608	27%	0.266	S	S	*	.	H	α-helix	trans	-57.6	-44.4	175.2	-176.3	-176.7	-64	175.4	0.6	112.1	P217 L224 Q225	P217-R221 WeakPolarHBondContact O-CB 3.37Å; P217-R221 PolarHBondContact O-N 2.62Å; R221-L224 WeakPolarHBondContact O-CB 3.37Å; R221-L224 PolarHBondContact O-N 3.34Å; R221-Q225 WeakPolarHBondContact O-CG 3.16Å; R221-Q225 PolarHBondContact O-N 3.23Å; R221-Q225 VanDerWaalsContact O-N 3.11Å
222	L	95.3	Very high	88.8	Confident	5 Å²	5	44.6 Å²	44.6	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-66.4	-41	178	-175.5	65.6	0	0	0	112.2	A218 I219 V220 L224 Q225 Y226 A240 L241 A244 L275	A218-L222 WeakPolarHBondContact O-CB 3.27Å; A218-L222 PolarHBondContact O-N 2.88Å; I219-L222 PolarHBondContact O-N 3.38Å; V220-L222 VanDerWaalsContact C-N 3.34Å; V220-L222 PolarHBondContact O-N 2.92Å; L222-L224 VanDerWaalsContact C-N 3.35Å; L222-L224 PolarHBondContact O-N 3.23Å; L222-Q225 PolarHBondContact O-N 3.33Å; L222-Y226 HydrophobicContact CD1-CD1 4.34Å; L222-Y226 HydrophobicContact CD1-CE1 3.67Å; L222-Y226 HydrophobicContact CD1-CE2 4.01Å; L222-Y226 VanDerWaalsContact CD1-CZ 3.49Å; L222-Y226 HydrophobicContact CD2-CE2 3.83Å; L222-Y226 HydrophobicContact CG-CD2 4.15Å; L222-Y226 HydrophobicContact CG-CE1 4.19Å; L222-Y226 HydrophobicContact CG-CE2 3.58Å; L222-Y226 PolarHBondContact O-N 2.95Å; L222-A240 HydrophobicContact CD1-CB 3.63Å; L222-L241 HydrophobicContact CD2-CB 4.37Å; L222-L241 HydrophobicContact CD2-CD1 4.02Å; L222-A244 HydrophobicContact CB-CB 4.49Å; L222-A244 HydrophobicContact CD2-CB 3.75Å; L222-L275 HydrophobicContact CB-CD2 4.19Å; L222-L275 HydrophobicContact CD2-CD1 4.06Å; L222-L275 HydrophobicContact CD2-CD2 4.1Å; L222-L275 HydrophobicContact CG-CD2 4.09Å
223	G	93.1	Very high	90.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.8	-44.5	175.6	0	0	0	0	0	112.4	I219 V220 Y226 S227 C278	I219-G223 PolarHBondContact O-N 3.27Å; V220-G223 PolarHBondContact O-N 3.13Å; G223-Y226 PolarHBondContact O-N 2.56Å; G223-S227 WeakPolarHBondContact O-CB 3.37Å; G223-S227 PolarHBondContact O-N 2.71Å; G223-S227 PolarHBondContact O-OG 3.08Å; G223-C278 WeakPolarHBondContact O-CB 3.43Å
224	L	91.6	Very high	91.5	Very high	49 Å²	49	38.6 Å²	38.6	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-57.3	-52.1	172.3	-81.9	160.9	0	0	0	112.2	T205 V220 R221 L222 Y226 S227 Q228	T205-L224 HydrophobicContact CG2-CD1 4.19Å; T205-L224 HydrophobicContact CG2-CD2 4.06Å; T205-L224 HydrophobicContact CG2-CG 3.82Å; T205-L224 WeakPolarHBondContact OG1-CD2 3.39Å; V220-L224 HydrophobicContact CG1-CD1 4.45Å; V220-L224 PolarHBondContact O-N 3Å; R221-L224 WeakPolarHBondContact O-CB 3.37Å; R221-L224 PolarHBondContact O-N 3.34Å; L222-L224 VanDerWaalsContact C-N 3.35Å; L222-L224 PolarHBondContact O-N 3.23Å; L224-Y226 VanDerWaalsContact C-N 3.26Å; L224-Y226 PolarHBondContact O-N 2.83Å; L224-S227 PolarHBondContact O-N 2.98Å; L224-S227 PolarHBondContact O-OG 2.95Å; L224-Q228 WeakPolarHBondContact O-CB 3.39Å; L224-Q228 WeakPolarHBondContact O-CG 3.36Å; L224-Q228 PolarHBondContact O-N 3Å
225	Q	94.3	Very high	92.3	Very high	67 Å²	67	37.1 Å²	37.1	31%	0.313	20%	0.201	S	C	.	.	H	α-helix	trans	-60.1	-33.4	179.6	-73.6	174.8	-18.8	0	0	113.1	R221 L222 G229 I230 V231	R221-Q225 WeakPolarHBondContact O-CG 3.16Å; R221-Q225 PolarHBondContact O-N 3.23Å; R221-Q225 VanDerWaalsContact O-N 3.11Å; L222-Q225 PolarHBondContact O-N 3.33Å; Q225-G229 PolarHBondContact O-N 2.88Å; Q225-I230 PolarHBondContact O-N 3.38Å; Q225-V231 HydrophobicContact CB-CG2 4.12Å; Q225-V231 PolarHBondContact O-N 2.84Å
226	Y	94.1	Very high	92.6	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-74.3	-46.4	172.5	-67.8	-21.9	0	0	0	112.5	L222 G223 L224 Q228 G229 V231 R237 L275 M285	L222-Y226 HydrophobicContact CD1-CD1 4.34Å; L222-Y226 HydrophobicContact CD1-CE1 3.67Å; L222-Y226 HydrophobicContact CD1-CE2 4.01Å; L222-Y226 VanDerWaalsContact CD1-CZ 3.49Å; L222-Y226 HydrophobicContact CD2-CE2 3.83Å; L222-Y226 HydrophobicContact CG-CD2 4.15Å; L222-Y226 HydrophobicContact CG-CE1 4.19Å; L222-Y226 HydrophobicContact CG-CE2 3.58Å; L222-Y226 PolarHBondContact O-N 2.95Å; G223-Y226 PolarHBondContact O-N 2.56Å; L224-Y226 VanDerWaalsContact C-N 3.26Å; L224-Y226 PolarHBondContact O-N 2.83Å; Y226-Q228 VanDerWaalsContact C-N 3.31Å; Y226-Q228 PolarHBondContact O-N 2.95Å; Y226-G229 PolarHBondContact O-N 3.22Å; Y226-V231 HydrophobicContact CD1-CB 4.05Å; Y226-V231 HydrophobicContact CD1-CG1 4.35Å; Y226-V231 HydrophobicContact CE1-CB 4.12Å; Y226-V231 HydrophobicContact CE1-CG1 3.95Å; Y226-R237 HydrophobicContact CD1-CG 4.3Å; Y226-R237 HydrophobicContact CE1-CB 4.06Å; Y226-R237 HydrophobicContact CE1-CG 3.86Å; Y226-R237 PolarHBondContact OH-O 3.09Å; Y226-L275 HydrophobicContact CD2-CD2 4.14Å; Y226-L275 HydrophobicContact CE2-CD2 4.15Å; Y226-M285 HydrophobicContact CD2-CE 4.36Å; Y226-M285 HydrophobicContact CE2-CE 3.37Å; Y226-M285 HydrophobicContact CE2-SD 4.27Å; Y226-M285 WeakPolarHBondContact OH-CE 3.42Å
227	S	90.9	Very high	92.9	Very high	12 Å²	12	37.8 Å²	37.8	8%	0.084	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-32.9	-177.3	60.6	0	0	0	0	112.9	R200 G223 L224 G229	R200-S227 WeakPolarHBondContact CD-O 3.22Å; R200-S227 WeakPolarHBondContact CG-O 3.41Å; G223-S227 WeakPolarHBondContact O-CB 3.37Å; G223-S227 PolarHBondContact O-N 2.71Å; G223-S227 PolarHBondContact O-OG 3.08Å; L224-S227 PolarHBondContact O-N 2.98Å; L224-S227 PolarHBondContact O-OG 2.95Å; S227-G229 VanDerWaalsContact C-N 3.29Å
228	Q	90	Very high	93.1	Very high	102 Å²	102	33.8 Å²	33.8	48%	0.477	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-8.3	174.4	-67.9	174.8	-21.4	0	0	112.8	L224 Y226 I230	L224-Q228 WeakPolarHBondContact O-CB 3.39Å; L224-Q228 WeakPolarHBondContact O-CG 3.36Å; L224-Q228 PolarHBondContact O-N 3Å; Y226-Q228 VanDerWaalsContact C-N 3.31Å; Y226-Q228 PolarHBondContact O-N 2.95Å; Q228-I230 VanDerWaalsContact C-N 3.29Å; Q228-I230 HydrophobicContact CB-CD1 4.2Å; Q228-I230 HydrophobicContact CB-CG1 4.1Å; Q228-I230 PolarHBondContact O-N 3.19Å
229	G	88.8	Confident	93.2	Very high	13 Å²	13	35.1 Å²	35.1	13%	0.134	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	9.4	179.6	0	0	0	0	0	115.5	Q225 Y226 S227 V231	Q225-G229 PolarHBondContact O-N 2.88Å; Y226-G229 PolarHBondContact O-N 3.22Å; S227-G229 VanDerWaalsContact C-N 3.29Å; G229-V231 VanDerWaalsContact C-N 3.3Å; G229-V231 PolarHBondContact O-N 3.45Å
230	I	91.9	Very high	93.4	Very high	115 Å²	115	36.2 Å²	36.2	59%	0.59	20%	0.202	S	C	*	.	S	Bend	trans	-58.8	-43.1	177.1	-61	172.3	0	0	0	110.2	Q225 Q228	Q225-I230 PolarHBondContact O-N 3.38Å; Q228-I230 VanDerWaalsContact C-N 3.29Å; Q228-I230 HydrophobicContact CB-CD1 4.2Å; Q228-I230 HydrophobicContact CB-CG1 4.1Å; Q228-I230 PolarHBondContact O-N 3.19Å
231	V	92.3	Very high	93.6	Very high	24 Å²	24	35.1 Å²	35.1	15%	0.145	20%	0.196	C	C	.	.	S	Bend	trans	-104.6	86.3	175.5	-176.2	0	0	0	0	109.4	Q225 Y226 G229 A236 R237 A240	Q225-V231 HydrophobicContact CB-CG2 4.12Å; Q225-V231 PolarHBondContact O-N 2.84Å; Y226-V231 HydrophobicContact CD1-CB 4.05Å; Y226-V231 HydrophobicContact CD1-CG1 4.35Å; Y226-V231 HydrophobicContact CE1-CB 4.12Å; Y226-V231 HydrophobicContact CE1-CG1 3.95Å; G229-V231 VanDerWaalsContact C-N 3.3Å; G229-V231 PolarHBondContact O-N 3.45Å; V231-A236 HydrophobicContact CG1-CB 4Å; V231-R237 HydrophobicContact CG1-CG 4.08Å; V231-R237 WeakPolarHBondContact O-CG 3.46Å; V231-A240 HydrophobicContact CG1-CB 4.33Å
232	A	89.2	Confident	93.8	Very high	24 Å²	24	27.5 Å²	27.5	20%	0.198	17%	0.167	C	C	.	.			trans	-91.1	-44	-173.1	0	0	0	0	0	115	R237 R279	A232-R237 WeakPolarHBondContact O-CD 3.45Å; A232-R279 PolarHBondContact O-NH1 2.87Å
233	G	91.9	Very high	93.9	Very high	29 Å²	29	31.4 Å²	31.4	30%	0.299	19%	0.185	S	C	.	.	S	Bend	trans	-72.5	147.1	-168.2	0	0	0	0	0	114.9	N235 A236 R237	G233-N235 PolarHBondContact O-N 3.08Å; G233-A236 PolarHBondContact O-N 2.84Å; G233-R237 WeakPolarHBondContact O-CG 3.43Å; G233-R237 PolarHBondContact O-N 3.11Å
234	S	93.9	Very high	94.1	Very high	12 Å²	12	31.7 Å²	31.7	8%	0.084	19%	0.187	C	C	.	.	H	α-helix	trans	-55.1	-45.8	-171.7	-165.8	0	0	0	0	113.8	S238 S284 H418	S234-S238 PolarHBondContact O-N 3.34Å; S234-S284 PolarHBondContact O-OG 3.12Å; S234-S284 WeakPolarHBondContact OG-CB 3.29Å; S234-S284 PolarHBondContact OG-OG 3.34Å; S234-H418 PolarHBondContact OG-O 2.96Å
235	N	95.4	Very high	94.3	Very high	15 Å²	15	29.4 Å²	29.4	8%	0.08	18%	0.176	C	C	.	.	H	α-helix	trans	-69	-48.7	177.7	-65.7	5.9	0	0	0	111.5	G233 R237 S238 V239 I324 E451 Y453 K454	G233-N235 PolarHBondContact O-N 3.08Å; N235-R237 PolarHBondContact O-N 2.99Å; N235-S238 PolarHBondContact O-N 2.8Å; N235-S238 VanDerWaalsContact O-N 3.12Å; N235-V239 WeakPolarHBondContact O-CG2 3.15Å; N235-V239 PolarHBondContact O-N 3.48Å; N235-I324 HydrophobicContact CB-CG2 4.37Å; N235-E451 PolarHBondContact ND2-OE1 3.23Å; N235-E451 PolarHBondContact OD1-OE1 3.46Å; N235-Y453 PolarHBondContact OD1-OH 3.42Å; N235-K454 WeakPolarHBondContact OD1-CE 3.49Å; N235-K454 PolarHBondContact OD1-NZ 3.34Å
236	A	95.7	Very high	94.4	Very high	49 Å²	49	27.5 Å²	27.5	41%	0.405	17%	0.165	S	C	.	.	H	α-helix	trans	-58.8	-38.2	-178.9	0	0	0	0	0	111.7	V231 G233 A240	V231-A236 HydrophobicContact CG1-CB 4Å; G233-A236 PolarHBondContact O-N 2.84Å; A236-A240 WeakPolarHBondContact O-CB 3.41Å; A236-A240 PolarHBondContact O-N 3.27Å
237	R	96.3	Very high	94.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-52.8	172.5	-70.6	-179.8	76.5	179.8	1	111.8	Y226 V231 A232 G233 N235 V239 A240 L241 P280 M285 E468	Y226-R237 HydrophobicContact CD1-CG 4.3Å; Y226-R237 HydrophobicContact CE1-CB 4.06Å; Y226-R237 HydrophobicContact CE1-CG 3.86Å; Y226-R237 PolarHBondContact OH-O 3.09Å; V231-R237 HydrophobicContact CG1-CG 4.08Å; V231-R237 WeakPolarHBondContact O-CG 3.46Å; A232-R237 WeakPolarHBondContact O-CD 3.45Å; G233-R237 WeakPolarHBondContact O-CG 3.43Å; G233-R237 PolarHBondContact O-N 3.11Å; N235-R237 PolarHBondContact O-N 2.99Å; R237-V239 PolarHBondContact O-N 3.46Å; R237-A240 PolarHBondContact O-N 2.81Å; R237-L241 WeakPolarHBondContact O-CB 3.49Å; R237-L241 PolarHBondContact O-N 2.94Å; R237-P280 PolarHBondContact NH1-O 2.78Å; R237-P280 PolarHBondContact NH2-O 2.72Å; R237-M285 HydrophobicContact CB-CG 4.24Å; R237-M285 HydrophobicContact CB-SD 3.8Å; R237-E468 IonicContact NH1-OE2 3.12Å
238	S	96.4	Very high	94.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-42.3	179.5	-71.9	0	0	0	0	113	S234 N235 L241 L242 S284 M285	S234-S238 PolarHBondContact O-N 3.34Å; N235-S238 PolarHBondContact O-N 2.8Å; N235-S238 VanDerWaalsContact O-N 3.12Å; S238-L241 WeakPolarHBondContact O-CB 3.41Å; S238-L241 PolarHBondContact O-N 3.46Å; S238-L242 WeakPolarHBondContact O-CB 3.37Å; S238-L242 VanDerWaalsContact O-CG 3.29Å; S238-L242 WeakPolarHBondContact O-CG 3.43Å; S238-L242 PolarHBondContact O-N 3.38Å; S238-S284 VanDerWaalsContact OG-CB 3.27Å; S238-S284 WeakPolarHBondContact OG-CB 3.29Å; S238-S284 PolarHBondContact OG-O 2.63Å; S238-S284 VanDerWaalsContact OG-O 3.06Å; S238-S284 PolarHBondContact OG-OG 3.36Å; S238-S284 VanDerWaalsContact OG-OG 3.07Å; S238-M285 PolarHBondContact OG-N 3.04Å
239	V	97	Very high	94.9	Very high	37 Å²	37	26.3 Å²	26.3	22%	0.224	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-48.4	176.6	171.2	0	0	0	0	110.6	N235 R237 L241 L242 H243 I320 I324	N235-V239 WeakPolarHBondContact O-CG2 3.15Å; N235-V239 PolarHBondContact O-N 3.48Å; R237-V239 PolarHBondContact O-N 3.46Å; V239-L241 VanDerWaalsContact C-N 3.33Å; V239-L241 PolarHBondContact O-N 3.04Å; V239-L242 PolarHBondContact O-N 3.16Å; V239-H243 PolarHBondContact O-CD2 2.82Å; V239-H243 PolarHBondContact O-N 3.11Å; V239-I320 HydrophobicContact CG2-CG2 4.42Å; V239-I324 HydrophobicContact CG2-CD1 3.67Å; V239-I324 HydrophobicContact CG2-CG2 4.32Å
240	A	97.5	Very high	95.2	Very high	23 Å²	23	31.9 Å²	31.9	19%	0.19	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-37.7	177.7	0	0	0	0	0	112.9	L222 V231 A236 R237 H243 A244	L222-A240 HydrophobicContact CD1-CB 3.63Å; V231-A240 HydrophobicContact CG1-CB 4.33Å; A236-A240 WeakPolarHBondContact O-CB 3.41Å; A236-A240 PolarHBondContact O-N 3.27Å; R237-A240 PolarHBondContact O-N 2.81Å; A240-H243 PolarHBondContact O-N 3.25Å; A240-A244 WeakPolarHBondContact O-CB 3.49Å; A240-A244 PolarHBondContact O-N 3.19Å
241	L	97.6	Very high	95.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-48.6	173.2	179.5	67.4	0	0	0	111.8	L222 R237 S238 V239 A244 F245 L275 M285 I289	L222-L241 HydrophobicContact CD2-CB 4.37Å; L222-L241 HydrophobicContact CD2-CD1 4.02Å; R237-L241 WeakPolarHBondContact O-CB 3.49Å; R237-L241 PolarHBondContact O-N 2.94Å; S238-L241 WeakPolarHBondContact O-CB 3.41Å; S238-L241 PolarHBondContact O-N 3.46Å; V239-L241 VanDerWaalsContact C-N 3.33Å; V239-L241 PolarHBondContact O-N 3.04Å; L241-A244 PolarHBondContact O-N 3.3Å; L241-F245 HydrophobicContact CD1-CD1 4.24Å; L241-F245 HydrophobicContact CD1-CE1 3.7Å; L241-F245 HydrophobicContact CD1-CE2 4.31Å; L241-F245 HydrophobicContact CD1-CZ 3.74Å; L241-F245 HydrophobicContact CD2-CE2 4.42Å; L241-F245 HydrophobicContact CD2-CZ 4.46Å; L241-F245 HydrophobicContact CG-CE1 4.39Å; L241-F245 HydrophobicContact CG-CE2 4.21Å; L241-F245 HydrophobicContact CG-CZ 4.15Å; L241-F245 PolarHBondContact O-N 3.05Å; L241-L275 HydrophobicContact CD1-CD1 3.52Å; L241-M285 HydrophobicContact CB-CE 4.26Å; L241-M285 HydrophobicContact CD1-CE 4.14Å; L241-M285 HydrophobicContact CD2-CB 3.86Å; L241-M285 HydrophobicContact CD2-CE 3.86Å; L241-M285 HydrophobicContact CD2-CG 3.92Å; L241-M285 HydrophobicContact CG-CE 4.32Å; L241-I289 HydrophobicContact CD2-CD1 3.93Å; L241-I289 HydrophobicContact CD2-CG1 3.78Å
242	L	96.9	Very high	95.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65	-40.4	-179.3	-71.8	171.9	0	0	0	111.2	S238 V239 A244 F245 R246 A288 V292 I316 Y319 I320	S238-L242 WeakPolarHBondContact O-CB 3.37Å; S238-L242 VanDerWaalsContact O-CG 3.29Å; S238-L242 WeakPolarHBondContact O-CG 3.43Å; S238-L242 PolarHBondContact O-N 3.38Å; V239-L242 PolarHBondContact O-N 3.16Å; L242-A244 PolarHBondContact O-N 3Å; L242-F245 PolarHBondContact O-N 2.75Å; L242-R246 WeakPolarHBondContact O-CG 3.48Å; L242-R246 PolarHBondContact O-N 3.41Å; L242-A288 HydrophobicContact CD1-CB 4.42Å; L242-A288 HydrophobicContact CD2-CB 4.25Å; L242-A288 HydrophobicContact CG-CB 4.44Å; L242-V292 HydrophobicContact CD2-CG2 3.74Å; L242-I316 HydrophobicContact CB-CG2 3.74Å; L242-I316 HydrophobicContact CD2-CG2 4Å; L242-I316 HydrophobicContact CG-CG2 4.34Å; L242-Y319 HydrophobicContact CD1-CD1 3.51Å; L242-Y319 HydrophobicContact CD1-CE1 3.81Å; L242-I320 HydrophobicContact CB-CD1 3.88Å; L242-I320 HydrophobicContact CB-CG1 4.19Å; L242-I320 HydrophobicContact CD1-CD1 4.32Å; L242-I320 HydrophobicContact CD1-CG1 3.68Å
243	H	97.1	Very high	95.5	Very high	87 Å²	87	34 Å²	34	40%	0.403	19%	0.188	S	C	.	.	H	α-helix	trans	-62.3	-39.3	171.7	-74.7	-68.3	0	0	0	113.2	V239 A240 R246 Q247	V239-H243 PolarHBondContact O-CD2 2.82Å; V239-H243 PolarHBondContact O-N 3.11Å; A240-H243 PolarHBondContact O-N 3.25Å; H243-R246 WeakPolarHBondContact O-CB 3.34Å; H243-R246 PolarHBondContact O-N 2.85Å; H243-Q247 PolarHBondContact O-N 3.34Å; H243-Q247 VanDerWaalsContact O-N 3.15Å
244	A	97.1	Very high	95.3	Very high	6 Å²	6	34.1 Å²	34.1	5%	0.05	18%	0.182	C	C	.	.	H	α-helix	trans	-66.5	-39.1	174.9	0	0	0	0	0	112	A218 I219 L222 A240 L241 L242 R246 Q247 V248	A218-A244 HydrophobicContact CB-CB 4.46Å; I219-A244 HydrophobicContact CD1-CB 4Å; L222-A244 HydrophobicContact CB-CB 4.49Å; L222-A244 HydrophobicContact CD2-CB 3.75Å; A240-A244 WeakPolarHBondContact O-CB 3.49Å; A240-A244 PolarHBondContact O-N 3.19Å; L241-A244 PolarHBondContact O-N 3.3Å; L242-A244 PolarHBondContact O-N 3Å; A244-R246 VanDerWaalsContact C-N 3.34Å; A244-R246 PolarHBondContact O-N 3.09Å; A244-Q247 PolarHBondContact O-N 2.76Å; A244-V248 WeakPolarHBondContact O-CG2 3.27Å; A244-V248 PolarHBondContact O-N 3Å
245	F	96.6	Very high	95.1	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-36.4	172.2	-75.1	-0.4	0	0	0	112.3	I219 L241 L242 Q247 V248 I249 L268 I272 I289 V292 I316	I219-F245 HydrophobicContact CD1-CD1 4.07Å; I219-F245 HydrophobicContact CD1-CE1 4.13Å; L241-F245 HydrophobicContact CD1-CD1 4.24Å; L241-F245 HydrophobicContact CD1-CE1 3.7Å; L241-F245 HydrophobicContact CD1-CE2 4.31Å; L241-F245 HydrophobicContact CD1-CZ 3.74Å; L241-F245 HydrophobicContact CD2-CE2 4.42Å; L241-F245 HydrophobicContact CD2-CZ 4.46Å; L241-F245 HydrophobicContact CG-CE1 4.39Å; L241-F245 HydrophobicContact CG-CE2 4.21Å; L241-F245 HydrophobicContact CG-CZ 4.15Å; L241-F245 PolarHBondContact O-N 3.05Å; L242-F245 PolarHBondContact O-N 2.75Å; F245-Q247 VanDerWaalsContact C-N 3.32Å; F245-Q247 PolarHBondContact O-N 2.88Å; F245-V248 PolarHBondContact O-N 2.73Å; F245-I249 WeakPolarHBondContact O-CB 3.5Å; F245-I249 WeakPolarHBondContact O-CD1 3.2Å; F245-I249 VanDerWaalsContact O-CG1 3.23Å; F245-I249 WeakPolarHBondContact O-CG1 3.44Å; F245-I249 PolarHBondContact O-N 3.17Å; F245-L268 HydrophobicContact CD1-CD2 4.16Å; F245-L268 HydrophobicContact CE1-CD2 4.12Å; F245-L268 HydrophobicContact CZ-CD2 4.49Å; F245-I272 HydrophobicContact CZ-CD1 4.35Å; F245-I272 HydrophobicContact CZ-CG1 3.96Å; F245-I289 HydrophobicContact CE2-CG1 3.97Å; F245-I289 HydrophobicContact CZ-CG1 4.11Å; F245-V292 HydrophobicContact CD2-CG1 4.2Å; F245-V292 HydrophobicContact CD2-CG2 4.48Å; F245-I316 HydrophobicContact CB-CD1 4.45Å
246	R	96.5	Very high	94.5	Very high	26 Å²	26	41 Å²	41	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-37.4	172.5	-69.8	-176	70.6	-167.4	5.5	112.9	L242 H243 A244 R250 L313 I316 E317	L242-R246 WeakPolarHBondContact O-CG 3.48Å; L242-R246 PolarHBondContact O-N 3.41Å; H243-R246 WeakPolarHBondContact O-CB 3.34Å; H243-R246 PolarHBondContact O-N 2.85Å; A244-R246 VanDerWaalsContact C-N 3.34Å; A244-R246 PolarHBondContact O-N 3.09Å; R246-R250 WeakPolarHBondContact O-CD 3.3Å; R246-R250 VanDerWaalsContact O-CG 3.28Å; R246-R250 WeakPolarHBondContact O-CG 3.42Å; R246-R250 PolarHBondContact O-N 2.91Å; R246-L313 HydrophobicContact CB-CD2 3.68Å; R246-L313 HydrophobicContact CG-CD2 3.83Å; R246-L313 WeakPolarHBondContact O-CD2 3.41Å; R246-I316 HydrophobicContact CG-CB 4.02Å; R246-I316 HydrophobicContact CG-CD1 4.01Å; R246-I316 HydrophobicContact CG-CG2 3.61Å; R246-E317 IonicContact CZ-OE1 2.7Å; R246-E317 IonicContact CZ-OE2 2.69Å; R246-E317 VanDerWaalsContact NH1-CD 3.29Å; R246-E317 IonicContact NH1-OE1 2.77Å; R246-E317 PolarHBondContact NH1-OE1 2.93Å; R246-E317 IonicContact NH2-OE1 2.73Å; R246-E317 PolarHBondContact NH2-OE1 2.9Å; R246-E317 IonicContact NH2-OE2 2.63Å; R246-E317 PolarHBondContact NH2-OE2 3.37Å
247	Q	95.8	Very high	93.9	Very high	83 Å²	83	45.9 Å²	45.9	39%	0.388	25%	0.247	S	C	.	.	H	α-helix	trans	-66.5	-50.9	173.7	-69.5	178.9	-9.1	0	0	110.3	A218 H243 A244 F245 I249 R250 D251	A218-Q247 HydrophobicContact CB-CB 3.99Å; H243-Q247 PolarHBondContact O-N 3.34Å; H243-Q247 VanDerWaalsContact O-N 3.15Å; A244-Q247 PolarHBondContact O-N 2.76Å; F245-Q247 VanDerWaalsContact C-N 3.32Å; F245-Q247 PolarHBondContact O-N 2.88Å; Q247-I249 VanDerWaalsContact C-N 3.26Å; Q247-I249 PolarHBondContact O-N 3.19Å; Q247-R250 WeakPolarHBondContact O-CB 3.5Å; Q247-R250 PolarHBondContact O-N 3.13Å; Q247-D251 VanDerWaalsContact O-CG 3.25Å; Q247-D251 PolarHBondContact O-N 3.01Å
248	V	95.2	Very high	93.5	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.036	26%	0.262	C	S	.	.	H	α-helix	trans	-52.6	-40.4	175.3	169.4	0	0	0	0	113.2	H216 I219 A244 F245 Y252 L268 Y271	H216-V248 HydrophobicContact CB-CG2 3.81Å; I219-V248 HydrophobicContact CD1-CG2 4.03Å; I219-V248 HydrophobicContact CG1-CG2 3.71Å; A244-V248 WeakPolarHBondContact O-CG2 3.27Å; A244-V248 PolarHBondContact O-N 3Å; F245-V248 PolarHBondContact O-N 2.73Å; V248-Y252 VanDerWaalsContact O-CB 3.29Å; V248-Y252 WeakPolarHBondContact O-CB 3.24Å; V248-Y252 PolarHBondContact O-N 2.92Å; V248-Y252 VanDerWaalsContact O-N 3.12Å; V248-L268 HydrophobicContact CG1-CD2 4.08Å; V248-Y271 HydrophobicContact CG1-CD2 4.08Å; V248-Y271 HydrophobicContact CG1-CE2 3.68Å; V248-Y271 HydrophobicContact CG2-CD2 4.23Å; V248-Y271 HydrophobicContact CG2-CE2 4.18Å
249	I	94.8	Very high	93.1	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-74.9	-31.1	-178.6	-69.8	163.8	0	0	0	112.1	F245 Q247 L264 K309 L312 L313 I316	F245-I249 WeakPolarHBondContact O-CB 3.5Å; F245-I249 WeakPolarHBondContact O-CD1 3.2Å; F245-I249 VanDerWaalsContact O-CG1 3.23Å; F245-I249 WeakPolarHBondContact O-CG1 3.44Å; F245-I249 PolarHBondContact O-N 3.17Å; Q247-I249 VanDerWaalsContact C-N 3.26Å; Q247-I249 PolarHBondContact O-N 3.19Å; I249-L264 HydrophobicContact CG1-CD1 4.45Å; I249-L264 HydrophobicContact CG1-CD2 4.29Å; I249-K309 HydrophobicContact CG2-CB 4.32Å; I249-K309 HydrophobicContact CG2-CG 4.23Å; I249-K309 WeakPolarHBondContact O-CD 3.09Å; I249-L312 HydrophobicContact CD1-CB 4.37Å; I249-L312 HydrophobicContact CD1-CD1 4.37Å; I249-L312 HydrophobicContact CG2-CB 4.19Å; I249-L312 HydrophobicContact CG2-CD1 4.17Å; I249-L313 HydrophobicContact CB-CD2 4.39Å; I249-L313 HydrophobicContact CG2-CD2 4.27Å; I249-L313 HydrophobicContact CG2-CG 4.25Å; I249-I316 HydrophobicContact CD1-CD1 3.63Å
250	R	94.8	Very high	92.6	Very high	131 Å²	131	52.8 Å²	52.8	49%	0.494	28%	0.277	S	S	.	.	H	α-helix	trans	-68.8	-45	172.7	-73.7	167.1	179.3	175.4	-2.1	111.2	R246 Q247 Y252 L313	R246-R250 WeakPolarHBondContact O-CD 3.3Å; R246-R250 VanDerWaalsContact O-CG 3.28Å; R246-R250 WeakPolarHBondContact O-CG 3.42Å; R246-R250 PolarHBondContact O-N 2.91Å; Q247-R250 WeakPolarHBondContact O-CB 3.5Å; Q247-R250 PolarHBondContact O-N 3.13Å; R250-Y252 PolarHBondContact O-N 2.96Å; R250-L313 HydrophobicContact CG-CD1 3.76Å; R250-L313 HydrophobicContact CG-CD2 4.11Å
251	D	93.8	Very high	92.2	Very high	101 Å²	101	52.8 Å²	52.8	54%	0.54	28%	0.276	S	S	.	.	S	Bend	trans	-85.6	3.4	-173.4	-52.9	-22.8	0	0	0	112.4	H216 Q247	H216-D251 IonicContact CE1-OD2 2.7Å; H216-D251 PolarHBondContact CE1-OD2 2.85Å; H216-D251 WeakPolarHBondContact NE2-CB 3.47Å; H216-D251 IonicContact NE2-OD2 3.23Å; H216-D251 PolarHBondContact NE2-OD2 3.04Å; Q247-D251 VanDerWaalsContact O-CG 3.25Å; Q247-D251 PolarHBondContact O-N 3.01Å
252	Y	92.8	Very high	91.8	Very high	11 Å²	11	59.2 Å²	59.2	4%	0.043	30%	0.3	C	S	.	.			trans	-80	148.8	176.1	172.6	-92.3	0	0	0	111.8	V248 R250 T254 L260 D263 L264 K309	V248-Y252 VanDerWaalsContact O-CB 3.29Å; V248-Y252 WeakPolarHBondContact O-CB 3.24Å; V248-Y252 PolarHBondContact O-N 2.92Å; V248-Y252 VanDerWaalsContact O-N 3.12Å; R250-Y252 PolarHBondContact O-N 2.96Å; Y252-T254 WeakPolarHBondContact CE1-OG1 3.5Å; Y252-L260 HydrophobicContact CD1-CD1 4.47Å; Y252-L260 HydrophobicContact CE1-CD1 3.98Å; Y252-L260 HydrophobicContact CE1-CG 3.83Å; Y252-D263 PolarHBondContact OH-OD2 3.45Å; Y252-L264 HydrophobicContact CD2-CD1 3.85Å; Y252-L264 HydrophobicContact CE2-CB 4.28Å; Y252-L264 HydrophobicContact CE2-CD1 4.17Å; Y252-L264 HydrophobicContact CG-CD1 4.13Å; Y252-K309 WeakPolarHBondContact O-CE 3.29Å; Y252-K309 PolarHBondContact O-NZ 3.25Å
253	T	91.8	Very high	91.6	Very high	96 Å²	96	60.4 Å²	60.4	59%	0.589	31%	0.306	S	S	*	.			trans	-136.5	133	171.8	-47.1	0	0	0	0	109.6	E305	T253-E305 WeakPolarHBondContact CA-OE1 3.47Å
254	T	88.9	Confident	91.3	Very high	30 Å²	30	56.4 Å²	56.4	18%	0.184	29%	0.288	C	S	.	.			trans	-74.7	134.1	-179.8	-44.2	0	0	0	0	111.3	Y252 E258 L260 E305	Y252-T254 WeakPolarHBondContact CE1-OG1 3.5Å; T254-E258 WeakPolarHBondContact CG2-O 3.16Å; T254-L260 HydrophobicContact CG2-CB 4.25Å; T254-E305 WeakPolarHBondContact CB-OE2 3.29Å; T254-E305 PolarHBondContact N-OE1 3.41Å; T254-E305 PolarHBondContact N-OE2 3.39Å; T254-E305 VanDerWaalsContact OG1-CD 3.23Å; T254-E305 PolarHBondContact OG1-OE2 3.22Å
255	P	89.6	Confident	91.1	Very high	40 Å²	40	57.3 Å²	57.3	26%	0.26	29%	0.293	S	S	.	.			trans	-64.6	146.3	169.3	-14.4	27.5	0	0	0	111	N257 E258 D263	P255-N257 PolarHBondContact O-N 3.14Å; P255-E258 HydrophobicContact CB-CB 4.09Å; P255-E258 HydrophobicContact CB-CG 4.25Å; P255-E258 HydrophobicContact CG-CB 4Å; P255-E258 HydrophobicContact CG-CG 4.19Å; P255-E258 PolarHBondContact O-N 2.64Å; P255-D263 WeakPolarHBondContact CD-OD2 3.43Å
256	P	82.5	Confident	90.8	Very high	132 Å²	132	60.6 Å²	60.6	86%	0.857	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.5	-172.2	24.2	-34.9	0	0	0	115.6
257	N	83.8	Confident	90.5	Very high	152 Å²	152	63.7 Å²	63.7	81%	0.813	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	11.2	-176.4	-60	-0.6	0	0	0	113.2	P255	P255-N257 PolarHBondContact O-N 3.14Å
258	E	87.1	Confident	90.4	Very high	70 Å²	70	59.8 Å²	59.8	33%	0.327	30%	0.304	S	S	.	.	S	Bend	trans	-123.1	148.8	-175.7	-79.1	-69.9	153.3	0	0	111.9	T254 P255 R262 D263	T254-E258 WeakPolarHBondContact CG2-O 3.16Å; P255-E258 HydrophobicContact CB-CB 4.09Å; P255-E258 HydrophobicContact CB-CG 4.25Å; P255-E258 HydrophobicContact CG-CB 4Å; P255-E258 HydrophobicContact CG-CG 4.19Å; P255-E258 PolarHBondContact O-N 2.64Å; E258-R262 IonicContact OE1-CZ 3.29Å; E258-R262 IonicContact OE1-NE 3.03Å; E258-R262 IonicContact OE1-NH2 3.96Å; E258-R262 PolarHBondContact OE1-NH2 2.96Å; E258-R262 IonicContact OE2-CZ 2.95Å; E258-R262 IonicContact OE2-NE 3.18Å; E258-R262 PolarHBondContact OE2-NE 3.16Å; E258-R262 IonicContact OE2-NH2 2.71Å; E258-R262 PolarHBondContact OE2-NH2 2.88Å; E258-D263 HydrophobicContact CB-CB 4.25Å
259	E	87.1	Confident	90.2	Very high	92 Å²	92	64 Å²	64	43%	0.43	32%	0.322	S	S	.	.			trans	-79.5	134	169.7	-65.4	-175.5	129.9	0	0	110.3	S261 R262 D263 S301	E259-S261 VanDerWaalsContact C-N 3.25Å; E259-S261 PolarHBondContact O-N 3.22Å; E259-R262 HydrophobicContact CB-CB 4.31Å; E259-R262 PolarHBondContact O-N 3.28Å; E259-D263 PolarHBondContact O-N 2.87Å; E259-S301 WeakPolarHBondContact OE1-CB 3.46Å; E259-S301 PolarHBondContact OE1-OG 2.79Å
260	L	88.5	Confident	90.1	Very high	19 Å²	19	65 Å²	65	10%	0.099	33%	0.328	C	S	.	.	H	α-helix	trans	-53.1	-43	178	179.5	154	0	0	0	112.2	Y252 T254 R262 L264 I299 E305 A308	Y252-L260 HydrophobicContact CD1-CD1 4.47Å; Y252-L260 HydrophobicContact CE1-CD1 3.98Å; Y252-L260 HydrophobicContact CE1-CG 3.83Å; T254-L260 HydrophobicContact CG2-CB 4.25Å; L260-R262 VanDerWaalsContact C-N 3.28Å; L260-R262 PolarHBondContact O-N 3.22Å; L260-L264 HydrophobicContact CD2-CD2 4.11Å; L260-L264 WeakPolarHBondContact O-CB 3.39Å; L260-L264 PolarHBondContact O-N 2.65Å; L260-I299 HydrophobicContact CD2-CD1 3.84Å; L260-E305 HydrophobicContact CD1-CB 4.41Å; L260-E305 HydrophobicContact CD1-CG 3.98Å; L260-A308 HydrophobicContact CD1-CB 4.08Å; L260-A308 HydrophobicContact CD2-CB 4.41Å
261	S	88.8	Confident	90	Very high	24 Å²	24	60 Å²	60	17%	0.168	31%	0.31	C	S	.	.	H	α-helix	trans	-58.2	-40.1	179	54	0	0	0	0	112.2	E259 V265 I296	E259-S261 VanDerWaalsContact C-N 3.25Å; E259-S261 PolarHBondContact O-N 3.22Å; S261-V265 WeakPolarHBondContact O-CB 3.46Å; S261-V265 VanDerWaalsContact O-CG2 3.27Å; S261-V265 WeakPolarHBondContact O-CG2 3.28Å; S261-I296 VanDerWaalsContact CB-O 3.27Å; S261-I296 WeakPolarHBondContact CB-O 3.31Å
262	R	89	Confident	90	Very high	135 Å²	135	56.1 Å²	56.1	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-78.4	-51.5	-178.1	-168.8	172.2	82.9	178.4	10	112.5	E258 E259 L260 N266	E258-R262 IonicContact OE1-CZ 3.29Å; E258-R262 IonicContact OE1-NE 3.03Å; E258-R262 IonicContact OE1-NH2 3.96Å; E258-R262 PolarHBondContact OE1-NH2 2.96Å; E258-R262 IonicContact OE2-CZ 2.95Å; E258-R262 IonicContact OE2-NE 3.18Å; E258-R262 PolarHBondContact OE2-NE 3.16Å; E258-R262 IonicContact OE2-NH2 2.71Å; E258-R262 PolarHBondContact OE2-NH2 2.88Å; E259-R262 HydrophobicContact CB-CB 4.31Å; E259-R262 PolarHBondContact O-N 3.28Å; L260-R262 VanDerWaalsContact C-N 3.28Å; L260-R262 PolarHBondContact O-N 3.22Å; R262-N266 PolarHBondContact O-N 2.87Å; R262-N266 VanDerWaalsContact O-N 3.14Å; R262-N266 PolarHBondContact O-ND2 2.85Å
263	D	91.4	Very high	90	Very high	25 Å²	25	56.4 Å²	56.4	13%	0.134	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-42.6	-178	-173.4	44.7	0	0	0	111.4	Y252 P255 E258 E259 V265 N266 R267	Y252-D263 PolarHBondContact OH-OD2 3.45Å; P255-D263 WeakPolarHBondContact CD-OD2 3.43Å; E258-D263 HydrophobicContact CB-CB 4.25Å; E259-D263 PolarHBondContact O-N 2.87Å; D263-V265 PolarHBondContact O-N 3Å; D263-N266 CarbonylContact O-C 3.49Å; D263-N266 WeakPolarHBondContact O-CA 3.39Å; D263-N266 WeakPolarHBondContact O-CB 3.2Å; D263-N266 PolarHBondContact O-N 2.79Å; D263-R267 WeakPolarHBondContact O-CG 3.4Å; D263-R267 PolarHBondContact O-N 3.41Å; D263-R267 IonicContact OD1-NE 2.69Å; D263-R267 IonicContact OD2-CZ 3.98Å; D263-R267 VanDerWaalsContact OD2-CZ 3.3Å; D263-R267 IonicContact OD2-NE 3.11Å; D263-R267 PolarHBondContact OD2-NE 2.9Å; D263-R267 IonicContact OD2-NH2 3.78Å; D263-R267 PolarHBondContact OD2-NH2 3.42Å
264	L	91.8	Very high	89.9	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-43.6	178.9	-176	60.9	0	0	0	112.1	I249 Y252 L260 N266 R267 L268 I296 L312	I249-L264 HydrophobicContact CG1-CD1 4.45Å; I249-L264 HydrophobicContact CG1-CD2 4.29Å; Y252-L264 HydrophobicContact CD2-CD1 3.85Å; Y252-L264 HydrophobicContact CE2-CB 4.28Å; Y252-L264 HydrophobicContact CE2-CD1 4.17Å; Y252-L264 HydrophobicContact CG-CD1 4.13Å; L260-L264 HydrophobicContact CD2-CD2 4.11Å; L260-L264 WeakPolarHBondContact O-CB 3.39Å; L260-L264 PolarHBondContact O-N 2.65Å; L264-N266 PolarHBondContact O-N 3.04Å; L264-R267 PolarHBondContact O-N 3.24Å; L264-L268 HydrophobicContact CD1-CG 4.43Å; L264-L268 HydrophobicContact CG-CD1 4.39Å; L264-L268 VanDerWaalsContact O-CG 3.3Å; L264-L268 WeakPolarHBondContact O-CG 3.5Å; L264-L268 PolarHBondContact O-N 2.9Å; L264-I296 HydrophobicContact CB-CG2 4.27Å; L264-I296 HydrophobicContact CD2-CD1 3.84Å; L264-I296 HydrophobicContact CD2-CG1 3.94Å; L264-I296 HydrophobicContact CD2-CG2 4.04Å; L264-I296 HydrophobicContact CG-CD1 4.05Å; L264-I296 HydrophobicContact CG-CG2 4.39Å; L264-L312 HydrophobicContact CD2-CD1 3.69Å
265	V	92.3	Very high	90.1	Very high	26 Å²	26	50.4 Å²	50.4	16%	0.158	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-33.3	173.6	167.3	0	0	0	0	111.6	S261 D263 K269 I296	S261-V265 WeakPolarHBondContact O-CB 3.46Å; S261-V265 VanDerWaalsContact O-CG2 3.27Å; S261-V265 WeakPolarHBondContact O-CG2 3.28Å; D263-V265 PolarHBondContact O-N 3Å; V265-K269 WeakPolarHBondContact O-CG 3.49Å; V265-I296 HydrophobicContact CG2-CB 4.07Å; V265-I296 HydrophobicContact CG2-CD1 4.49Å; V265-I296 HydrophobicContact CG2-CG2 3.68Å
266	N	91.2	Very high	90.3	Very high	70 Å²	70	51.2 Å²	51.2	37%	0.374	26%	0.257	S	S	.	.	H	α-helix	trans	-71.9	-42.9	174.8	-73.7	-31	0	0	0	112.6	R262 D263 L264 L268 K269 P270	R262-N266 PolarHBondContact O-N 2.87Å; R262-N266 VanDerWaalsContact O-N 3.14Å; R262-N266 PolarHBondContact O-ND2 2.85Å; D263-N266 CarbonylContact O-C 3.49Å; D263-N266 WeakPolarHBondContact O-CA 3.39Å; D263-N266 WeakPolarHBondContact O-CB 3.2Å; D263-N266 PolarHBondContact O-N 2.79Å; L264-N266 PolarHBondContact O-N 3.04Å; N266-L268 PolarHBondContact O-N 2.78Å; N266-K269 WeakPolarHBondContact O-CB 3.13Å; N266-K269 PolarHBondContact O-N 2.84Å; N266-K269 PolarHBondContact OD1-NZ 2.91Å; N266-P270 WeakPolarHBondContact O-CD 3.49Å
267	R	90.3	Very high	90.6	Very high	92 Å²	92	45 Å²	45	35%	0.347	22%	0.217	S	C	.	.	H	α-helix	trans	-67.1	-31.8	176	-66	-159.7	-165.8	-161.3	13	113.7	D263 L264 K269 P270 Y271	D263-R267 WeakPolarHBondContact O-CG 3.4Å; D263-R267 PolarHBondContact O-N 3.41Å; D263-R267 IonicContact OD1-NE 2.69Å; D263-R267 IonicContact OD2-CZ 3.98Å; D263-R267 VanDerWaalsContact OD2-CZ 3.3Å; D263-R267 IonicContact OD2-NE 3.11Å; D263-R267 PolarHBondContact OD2-NE 2.9Å; D263-R267 IonicContact OD2-NH2 3.78Å; D263-R267 PolarHBondContact OD2-NH2 3.42Å; L264-R267 PolarHBondContact O-N 3.24Å; R267-K269 VanDerWaalsContact C-N 3.29Å; R267-K269 PolarHBondContact O-N 2.83Å; R267-P270 WeakPolarHBondContact O-CD 3.43Å; R267-P270 VanDerWaalsContact O-CG 3.25Å; R267-P270 WeakPolarHBondContact O-CG 3.48Å; R267-Y271 WeakPolarHBondContact O-CD2 3.31Å
268	L	92.9	Very high	90.9	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-69.2	-24.4	174.5	-70	175.7	0	0	0	112.9	F245 V248 L264 N266 Y271 I272 I296	F245-L268 HydrophobicContact CD1-CD2 4.16Å; F245-L268 HydrophobicContact CE1-CD2 4.12Å; F245-L268 HydrophobicContact CZ-CD2 4.49Å; V248-L268 HydrophobicContact CG1-CD2 4.08Å; L264-L268 HydrophobicContact CD1-CG 4.43Å; L264-L268 HydrophobicContact CG-CD1 4.39Å; L264-L268 VanDerWaalsContact O-CG 3.3Å; L264-L268 WeakPolarHBondContact O-CG 3.5Å; L264-L268 PolarHBondContact O-N 2.9Å; N266-L268 PolarHBondContact O-N 2.78Å; L268-Y271 HydrophobicContact CD2-CD2 4.16Å; L268-Y271 PolarHBondContact O-N 3.11Å; L268-I272 HydrophobicContact CB-CD1 4.24Å; L268-I272 WeakPolarHBondContact O-CB 3.37Å; L268-I272 VanDerWaalsContact O-CD1 3.31Å; L268-I272 WeakPolarHBondContact O-CD1 3.36Å; L268-I272 WeakPolarHBondContact O-CG1 3.42Å; L268-I272 PolarHBondContact O-N 2.87Å; L268-I296 HydrophobicContact CD1-CD1 3.5Å; L268-I296 VanDerWaalsContact CD1-CD1 3.5Å
269	K	91.6	Very high	91.2	Very high	93 Å²	93	35.1 Å²	35.1	40%	0.404	17%	0.166	S	C	.	.	H	α-helix	trans	-59.2	-52.5	179.8	-72.2	164.7	-168.5	169.7	0	113.8	V265 N266 R267 Y271 S273	V265-K269 WeakPolarHBondContact O-CG 3.49Å; N266-K269 WeakPolarHBondContact O-CB 3.13Å; N266-K269 PolarHBondContact O-N 2.84Å; N266-K269 PolarHBondContact OD1-NZ 2.91Å; R267-K269 VanDerWaalsContact C-N 3.29Å; R267-K269 PolarHBondContact O-N 2.83Å; K269-Y271 VanDerWaalsContact C-N 3.35Å; K269-S273 WeakPolarHBondContact O-CB 3.32Å; K269-S273 PolarHBondContact O-N 2.91Å
270	P	91.4	Very high	91.4	Very high	23 Å²	23	32.1 Å²	32.1	15%	0.149	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-39.2	175.4	24.1	-34.1	0	0	0	112	Q177 I179 I215 N266 R267 I272 S273 F274	Q177-P270 HydrophobicContact CB-CB 4.12Å; Q177-P270 HydrophobicContact CG-CB 4.22Å; I179-P270 HydrophobicContact CD1-CB 3.99Å; I179-P270 VanDerWaalsContact CD1-O 3.25Å; I179-P270 WeakPolarHBondContact CD1-O 3.31Å; I215-P270 HydrophobicContact CD1-CB 4.38Å; N266-P270 WeakPolarHBondContact O-CD 3.49Å; R267-P270 WeakPolarHBondContact O-CD 3.43Å; R267-P270 VanDerWaalsContact O-CG 3.25Å; R267-P270 WeakPolarHBondContact O-CG 3.48Å; P270-I272 PolarHBondContact O-N 3.02Å; P270-S273 VanDerWaalsContact O-CB 3.32Å; P270-S273 WeakPolarHBondContact O-CB 3.41Å; P270-S273 PolarHBondContact O-N 3.04Å; P270-S273 VanDerWaalsContact O-N 3.12Å; P270-F274 WeakPolarHBondContact O-CB 3.31Å; P270-F274 PolarHBondContact O-N 2.86Å
271	Y	93.4	Very high	91.7	Very high	26 Å²	26	33.5 Å²	33.5	10%	0.102	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-44.3	178.9	-58.7	-12.7	0	0	0	112.3	I215 H216 I219 V248 R267 L268 K269 S273 F274 L275	I215-Y271 HydrophobicContact CD1-CD1 3.89Å; I215-Y271 HydrophobicContact CD1-CE1 4.25Å; I215-Y271 HydrophobicContact CG2-CD1 4.17Å; H216-Y271 HydrophobicContact CB-CE2 4.18Å; I219-Y271 HydrophobicContact CG1-CD2 4.15Å; I219-Y271 HydrophobicContact CG1-CG 4.14Å; I219-Y271 HydrophobicContact CG2-CG 4.44Å; V248-Y271 HydrophobicContact CG1-CD2 4.08Å; V248-Y271 HydrophobicContact CG1-CE2 3.68Å; V248-Y271 HydrophobicContact CG2-CD2 4.23Å; V248-Y271 HydrophobicContact CG2-CE2 4.18Å; R267-Y271 WeakPolarHBondContact O-CD2 3.31Å; L268-Y271 HydrophobicContact CD2-CD2 4.16Å; L268-Y271 PolarHBondContact O-N 3.11Å; K269-Y271 VanDerWaalsContact C-N 3.35Å; Y271-S273 VanDerWaalsContact C-N 3.34Å; Y271-F274 PolarHBondContact O-N 2.97Å; Y271-L275 WeakPolarHBondContact O-CG 3.5Å; Y271-L275 PolarHBondContact O-N 2.78Å
272	I	93.8	Very high	91.9	Very high	20 Å²	20	32.6 Å²	32.6	10%	0.103	16%	0.156	C	C	.	.	H	α-helix	trans	-65	-39.1	174.7	-65.5	159.5	0	0	0	111.1	F245 L268 P270 L275 N276 L281 I289	F245-I272 HydrophobicContact CZ-CD1 4.35Å; F245-I272 HydrophobicContact CZ-CG1 3.96Å; L268-I272 HydrophobicContact CB-CD1 4.24Å; L268-I272 WeakPolarHBondContact O-CB 3.37Å; L268-I272 VanDerWaalsContact O-CD1 3.31Å; L268-I272 WeakPolarHBondContact O-CD1 3.36Å; L268-I272 WeakPolarHBondContact O-CG1 3.42Å; L268-I272 PolarHBondContact O-N 2.87Å; P270-I272 PolarHBondContact O-N 3.02Å; I272-L275 PolarHBondContact O-N 2.85Å; I272-N276 WeakPolarHBondContact O-CB 3.4Å; I272-N276 PolarHBondContact O-N 2.87Å; I272-L281 HydrophobicContact CG2-CD1 3.84Å; I272-I289 HydrophobicContact CD1-CD1 4.5Å; I272-I289 HydrophobicContact CD1-CG1 4.45Å; I272-I289 HydrophobicContact CD1-CG2 3.61Å; I272-I289 HydrophobicContact CG1-CD1 4.18Å; I272-I289 HydrophobicContact CG1-CG1 4.49Å; I272-I289 HydrophobicContact CG1-CG2 4.43Å; I272-I289 HydrophobicContact CG2-CD1 4.02Å
273	S	91.8	Very high	92.1	Very high	16 Å²	16	27.3 Å²	27.3	11%	0.112	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-47.2	177.5	-155.3	0	0	0	0	111.5	L174 Q177 K269 P270 Y271 N276 Q277	L174-S273 VanDerWaalsContact CD2-OG 3.31Å; L174-S273 WeakPolarHBondContact CD2-OG 3.45Å; Q177-S273 PolarHBondContact OE1-OG 2.97Å; K269-S273 WeakPolarHBondContact O-CB 3.32Å; K269-S273 PolarHBondContact O-N 2.91Å; P270-S273 VanDerWaalsContact O-CB 3.32Å; P270-S273 WeakPolarHBondContact O-CB 3.41Å; P270-S273 PolarHBondContact O-N 3.04Å; P270-S273 VanDerWaalsContact O-N 3.12Å; Y271-S273 VanDerWaalsContact C-N 3.34Å; S273-N276 PolarHBondContact O-N 2.67Å; S273-Q277 WeakPolarHBondContact O-CG 3.46Å; S273-Q277 PolarHBondContact O-N 2.78Å; S273-Q277 VanDerWaalsContact O-N 3.1Å
274	F	91.7	Very high	92.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.5	-48.9	175.1	171	-97.3	0	0	0	111.9	I179 L204 T205 L208 I215 I219 P270 Y271 N276 Q277 C278	I179-F274 HydrophobicContact CD1-CB 3.95Å; I179-F274 HydrophobicContact CG1-CB 4.38Å; I179-F274 HydrophobicContact CG2-CD2 4.39Å; L204-F274 HydrophobicContact CD2-CD2 3.89Å; L204-F274 HydrophobicContact CD2-CE2 3.88Å; L204-F274 HydrophobicContact CG-CE2 4.34Å; T205-F274 HydrophobicContact CG2-CZ 4.19Å; L208-F274 HydrophobicContact CD1-CD2 4.45Å; L208-F274 HydrophobicContact CD1-CE2 3.67Å; L208-F274 HydrophobicContact CD1-CZ 4.22Å; I215-F274 HydrophobicContact CD1-CB 4.34Å; I215-F274 HydrophobicContact CG2-CD1 4.13Å; I215-F274 HydrophobicContact CG2-CE1 4.48Å; I215-F274 HydrophobicContact CG2-CG 4.35Å; I219-F274 HydrophobicContact CG2-CD1 3.84Å; I219-F274 HydrophobicContact CG2-CE1 4.36Å; P270-F274 WeakPolarHBondContact O-CB 3.31Å; P270-F274 PolarHBondContact O-N 2.86Å; Y271-F274 PolarHBondContact O-N 2.97Å; F274-N276 VanDerWaalsContact C-N 3.28Å; F274-N276 PolarHBondContact O-N 2.69Å; F274-Q277 WeakPolarHBondContact O-CB 3.28Å; F274-Q277 PolarHBondContact O-N 3.21Å; F274-C278 VanDerWaalsContact CZ-SG 3.5Å; F274-C278 PolarHBondContact O-N 3.31Å; F274-C278 PolarHBondContact O-SG 2.97Å
275	L	92.9	Very high	92.4	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-38.9	177.9	-70.3	174.1	0	0	0	112.2	I219 L222 Y226 L241 Y271 I272 Q277 C278 R279 L281	I219-L275 HydrophobicContact CD1-CD1 4.29Å; I219-L275 HydrophobicContact CG2-CD1 4.24Å; I219-L275 HydrophobicContact CG2-CD2 4.08Å; I219-L275 HydrophobicContact CG2-CG 3.93Å; L222-L275 HydrophobicContact CB-CD2 4.19Å; L222-L275 HydrophobicContact CD2-CD1 4.06Å; L222-L275 HydrophobicContact CD2-CD2 4.1Å; L222-L275 HydrophobicContact CG-CD2 4.09Å; Y226-L275 HydrophobicContact CD2-CD2 4.14Å; Y226-L275 HydrophobicContact CE2-CD2 4.15Å; L241-L275 HydrophobicContact CD1-CD1 3.52Å; Y271-L275 WeakPolarHBondContact O-CG 3.5Å; Y271-L275 PolarHBondContact O-N 2.78Å; I272-L275 PolarHBondContact O-N 2.85Å; L275-Q277 VanDerWaalsContact C-N 3.32Å; L275-Q277 PolarHBondContact O-N 3.02Å; L275-C278 WeakPolarHBondContact O-CB 3.36Å; L275-C278 PolarHBondContact O-N 3.37Å; L275-R279 PolarHBondContact O-N 2.89Å; L275-L281 HydrophobicContact CB-CD2 4.31Å
276	N	91.9	Very high	92.6	Very high	56 Å²	56	25.6 Å²	25.6	30%	0.299	14%	0.135	S	C	.	.	H	α-helix	trans	-68	-28.4	176.6	-168.2	70.9	0	0	0	113.3	I272 S273 F274 R279 L281	I272-N276 WeakPolarHBondContact O-CB 3.4Å; I272-N276 PolarHBondContact O-N 2.87Å; S273-N276 PolarHBondContact O-N 2.67Å; F274-N276 VanDerWaalsContact C-N 3.28Å; F274-N276 PolarHBondContact O-N 2.69Å; N276-R279 CarbonylContact O-C 3.25Å; N276-L281 HydrophobicContact CB-CD1 4.12Å; N276-L281 HydrophobicContact CB-CG 3.96Å; N276-L281 WeakPolarHBondContact OD1-CG 3.26Å; N276-L281 PolarHBondContact OD1-N 3.39Å
277	Q	89.3	Confident	92.7	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.014	13%	0.127	C	C	.	.	H	α-helix	trans	-76.2	-31.9	171.9	-68.9	-68.3	-40.1	0	0	112.4	L174 R182 Y198 L204 S273 F274 L275	L174-Q277 HydrophobicContact CD1-CG 4.17Å; L174-Q277 HydrophobicContact CD2-CG 4.26Å; R182-Q277 WeakPolarHBondContact CD-O 3.44Å; R182-Q277 PolarHBondContact NH1-O 3.01Å; Y198-Q277 PolarHBondContact OH-OE1 3.15Å; L204-Q277 HydrophobicContact CD2-CB 3.71Å; S273-Q277 WeakPolarHBondContact O-CG 3.46Å; S273-Q277 PolarHBondContact O-N 2.78Å; S273-Q277 VanDerWaalsContact O-N 3.1Å; F274-Q277 WeakPolarHBondContact O-CB 3.28Å; F274-Q277 PolarHBondContact O-N 3.21Å; L275-Q277 VanDerWaalsContact C-N 3.32Å; L275-Q277 PolarHBondContact O-N 3.02Å
278	C	90.7	Very high	93	Very high	4 Å²	4	19.8 Å²	19.8	3%	0.027	11%	0.11	C	C	.	.	H	α-helix	trans	-66.8	-45.7	171.6	-68.9	0	0	0	0	112	R182 G223 F274 L275	R182-C278 PolarHBondContact NH1-O 3.11Å; G223-C278 WeakPolarHBondContact O-CB 3.43Å; F274-C278 VanDerWaalsContact CZ-SG 3.5Å; F274-C278 PolarHBondContact O-N 3.31Å; F274-C278 PolarHBondContact O-SG 2.97Å; L275-C278 WeakPolarHBondContact O-CB 3.36Å; L275-C278 PolarHBondContact O-N 3.37Å
279	R	92.5	Very high	93.1	Very high	10 Å²	10	20.2 Å²	20.2	4%	0.038	11%	0.113	C	C	.	.	S	Bend	trans	-160.5	134.9	174.6	-172.4	176.8	179.2	-138.8	-14.3	110.2	A232 L275 N276 L281 E468 Y501	A232-R279 PolarHBondContact O-NH1 2.87Å; L275-R279 PolarHBondContact O-N 2.89Å; N276-R279 CarbonylContact O-C 3.25Å; R279-L281 PolarHBondContact O-N 2.89Å; R279-E468 IonicContact CZ-OE1 3.3Å; R279-E468 IonicContact CZ-OE2 3.59Å; R279-E468 IonicContact NE-OE1 2.77Å; R279-E468 PolarHBondContact NE-OE1 2.95Å; R279-E468 IonicContact NE-OE2 3.69Å; R279-E468 PolarHBondContact NE-OE2 2.79Å; R279-E468 IonicContact NH2-OE1 3.79Å; R279-E468 PolarHBondContact NH2-OE1 2.91Å; R279-E468 IonicContact NH2-OE2 3.05Å; R279-E468 PolarHBondContact NH2-OE2 3.17Å; R279-Y501 PolarHBondContact NH2-OH 3.43Å
280	P	92.7	Very high	93.2	Very high	29 Å²	29	21 Å²	21	19%	0.188	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-49.3	133.3	176.4	-29.8	36.9	0	0	0	112.8	R237 E468	R237-P280 PolarHBondContact NH1-O 2.78Å; R237-P280 PolarHBondContact NH2-O 2.72Å; P280-E468 HydrophobicContact CB-CG 4.46Å; P280-E468 HydrophobicContact CG-CG 4.2Å
281	L	93.7	Very high	93.3	Very high	47 Å²	47	21.2 Å²	21.2	25%	0.246	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-66.6	136.9	-175.5	-60.5	171	0	0	0	111.1	I272 L275 N276 R279 M285 I289	I272-L281 HydrophobicContact CG2-CD1 3.84Å; L275-L281 HydrophobicContact CB-CD2 4.31Å; N276-L281 HydrophobicContact CB-CD1 4.12Å; N276-L281 HydrophobicContact CB-CG 3.96Å; N276-L281 WeakPolarHBondContact OD1-CG 3.26Å; N276-L281 PolarHBondContact OD1-N 3.39Å; R279-L281 PolarHBondContact O-N 2.89Å; L281-M285 HydrophobicContact CD2-CE 3.47Å; L281-M285 VanDerWaalsContact CD2-CE 3.47Å; L281-M285 HydrophobicContact CD2-SD 4.34Å; L281-I289 HydrophobicContact CD1-CD1 4.08Å
282	S	93.5	Very high	93.4	Very high	6 Å²	6	20.1 Å²	20.1	4%	0.042	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-69.4	155.4	168.9	53.3	0	0	0	0	111	S284 M285 G286 H418	S282-S284 WeakPolarHBondContact CB-OG 3.4Å; S282-S284 PolarHBondContact O-N 3.15Å; S282-S284 PolarHBondContact OG-OG 2.66Å; S282-M285 WeakPolarHBondContact O-CB 3.42Å; S282-M285 PolarHBondContact O-N 3.44Å; S282-M285 WeakPolarHBondContact OG-CB 3.27Å; S282-M285 WeakPolarHBondContact OG-CG 3.1Å; S282-M285 PolarHBondContact OG-N 2.75Å; S282-M285 PolarHBondContact OG-SD 3.11Å; S282-M285 VanDerWaalsContact OG-SD 3.4Å; S282-G286 PolarHBondContact O-N 3.39Å; S282-H418 VanDerWaalsContact CB-CE1 3.42Å; S282-H418 WeakPolarHBondContact CB-CE1 3.41Å; S282-H418 WeakPolarHBondContact CB-NE2 3.47Å
283	A	93	Very high	93.4	Very high	24 Å²	24	22.1 Å²	22.1	20%	0.198	12%	0.118	C	C	.	.	H	α-helix	trans	-59	-37.4	173.4	0	0	0	0	0	112.2	M285 G286 N287 A419 C456	A283-M285 VanDerWaalsContact C-N 3.28Å; A283-M285 PolarHBondContact O-N 3.31Å; A283-G286 PolarHBondContact O-N 2.88Å; A283-G286 VanDerWaalsContact O-N 3.12Å; A283-N287 PolarHBondContact O-N 2.69Å; A283-A419 HydrophobicContact CB-CB 3.83Å; A283-C456 WeakPolarHBondContact CB-SG 3.4Å
284	S	94.6	Very high	93.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.6	-37.4	172.2	64.3	0	0	0	0	113.3	S234 S238 S282 A288	S234-S284 PolarHBondContact O-OG 3.12Å; S234-S284 WeakPolarHBondContact OG-CB 3.29Å; S234-S284 PolarHBondContact OG-OG 3.34Å; S238-S284 VanDerWaalsContact OG-CB 3.27Å; S238-S284 WeakPolarHBondContact OG-CB 3.29Å; S238-S284 PolarHBondContact OG-O 2.63Å; S238-S284 VanDerWaalsContact OG-O 3.06Å; S238-S284 PolarHBondContact OG-OG 3.36Å; S238-S284 VanDerWaalsContact OG-OG 3.07Å; S282-S284 WeakPolarHBondContact CB-OG 3.4Å; S282-S284 PolarHBondContact O-N 3.15Å; S282-S284 PolarHBondContact OG-OG 2.66Å; S284-A288 WeakPolarHBondContact O-CB 3.42Å; S284-A288 PolarHBondContact O-N 2.83Å
285	M	96	Very high	93.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-75.9	-40.6	174.2	-73.1	168.8	75.7	0	0	110.9	Y226 R237 S238 L241 L281 S282 A283 N287 A288 I289	Y226-M285 HydrophobicContact CD2-CE 4.36Å; Y226-M285 HydrophobicContact CE2-CE 3.37Å; Y226-M285 HydrophobicContact CE2-SD 4.27Å; Y226-M285 WeakPolarHBondContact OH-CE 3.42Å; R237-M285 HydrophobicContact CB-CG 4.24Å; R237-M285 HydrophobicContact CB-SD 3.8Å; S238-M285 PolarHBondContact OG-N 3.04Å; L241-M285 HydrophobicContact CB-CE 4.26Å; L241-M285 HydrophobicContact CD1-CE 4.14Å; L241-M285 HydrophobicContact CD2-CB 3.86Å; L241-M285 HydrophobicContact CD2-CE 3.86Å; L241-M285 HydrophobicContact CD2-CG 3.92Å; L241-M285 HydrophobicContact CG-CE 4.32Å; L281-M285 HydrophobicContact CD2-CE 3.47Å; L281-M285 VanDerWaalsContact CD2-CE 3.47Å; L281-M285 HydrophobicContact CD2-SD 4.34Å; S282-M285 WeakPolarHBondContact O-CB 3.42Å; S282-M285 PolarHBondContact O-N 3.44Å; S282-M285 WeakPolarHBondContact OG-CB 3.27Å; S282-M285 WeakPolarHBondContact OG-CG 3.1Å; S282-M285 PolarHBondContact OG-N 2.75Å; S282-M285 PolarHBondContact OG-SD 3.11Å; S282-M285 VanDerWaalsContact OG-SD 3.4Å; A283-M285 VanDerWaalsContact C-N 3.28Å; A283-M285 PolarHBondContact O-N 3.31Å; M285-N287 VanDerWaalsContact C-N 3.33Å; M285-N287 PolarHBondContact O-N 2.75Å; M285-A288 PolarHBondContact O-N 3Å; M285-I289 WeakPolarHBondContact O-CB 3.44Å; M285-I289 WeakPolarHBondContact O-CD1 3.49Å; M285-I289 WeakPolarHBondContact O-CG1 3.32Å; M285-I289 PolarHBondContact O-N 2.71Å
286	G	95	Very high	93.5	Very high	17 Å²	17	26.8 Å²	26.8	18%	0.175	14%	0.137	C	C	.	.	H	α-helix	trans	-57.3	-44.2	176.5	0	0	0	0	0	112.5	S282 A283 I289 K290	S282-G286 PolarHBondContact O-N 3.39Å; A283-G286 PolarHBondContact O-N 2.88Å; A283-G286 VanDerWaalsContact O-N 3.12Å; G286-I289 PolarHBondContact O-N 3.02Å; G286-K290 VanDerWaalsContact O-CG 3.26Å; G286-K290 WeakPolarHBondContact O-CG 3.34Å; G286-K290 PolarHBondContact O-N 3.06Å
287	N	94.6	Very high	93.5	Very high	39 Å²	39	27.8 Å²	27.8	21%	0.209	15%	0.148	C	C	.	.	H	α-helix	trans	-69.2	-42.1	176.7	-69	-11.6	0	0	0	112.2	A283 M285 I289 K290 Y291 Y453 F455	A283-N287 PolarHBondContact O-N 2.69Å; M285-N287 VanDerWaalsContact C-N 3.33Å; M285-N287 PolarHBondContact O-N 2.75Å; N287-I289 VanDerWaalsContact C-N 3.32Å; N287-I289 PolarHBondContact O-N 2.7Å; N287-K290 PolarHBondContact O-N 3.47Å; N287-Y291 PolarHBondContact O-N 2.77Å; N287-Y453 WeakPolarHBondContact CB-O 3.27Å; N287-Y453 PolarHBondContact ND2-O 3.45Å; N287-F455 PolarHBondContact ND2-O 3.08Å
288	A	95.6	Very high	93.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-38.7	173.4	0	0	0	0	0	112.4	L242 S284 M285 Y291 V292 Y319	L242-A288 HydrophobicContact CD1-CB 4.42Å; L242-A288 HydrophobicContact CD2-CB 4.25Å; L242-A288 HydrophobicContact CG-CB 4.44Å; S284-A288 WeakPolarHBondContact O-CB 3.42Å; S284-A288 PolarHBondContact O-N 2.83Å; M285-A288 PolarHBondContact O-N 3Å; A288-Y291 PolarHBondContact O-N 3.26Å; A288-V292 WeakPolarHBondContact O-CG2 3.46Å; A288-V292 PolarHBondContact O-N 3.05Å; A288-Y319 HydrophobicContact CB-CE1 4.13Å
289	I	95.6	Very high	93.5	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.051	18%	0.178	C	C	.	.	H	α-helix	trans	-65.9	-41.2	173.8	-71.5	162.5	0	0	0	111.4	L241 F245 I272 L281 M285 G286 N287 K293	L241-I289 HydrophobicContact CD2-CD1 3.93Å; L241-I289 HydrophobicContact CD2-CG1 3.78Å; F245-I289 HydrophobicContact CE2-CG1 3.97Å; F245-I289 HydrophobicContact CZ-CG1 4.11Å; I272-I289 HydrophobicContact CD1-CD1 4.5Å; I272-I289 HydrophobicContact CD1-CG1 4.45Å; I272-I289 HydrophobicContact CD1-CG2 3.61Å; I272-I289 HydrophobicContact CG1-CD1 4.18Å; I272-I289 HydrophobicContact CG1-CG1 4.49Å; I272-I289 HydrophobicContact CG1-CG2 4.43Å; I272-I289 HydrophobicContact CG2-CD1 4.02Å; L281-I289 HydrophobicContact CD1-CD1 4.08Å; M285-I289 WeakPolarHBondContact O-CB 3.44Å; M285-I289 WeakPolarHBondContact O-CD1 3.49Å; M285-I289 WeakPolarHBondContact O-CG1 3.32Å; M285-I289 PolarHBondContact O-N 2.71Å; G286-I289 PolarHBondContact O-N 3.02Å; N287-I289 VanDerWaalsContact C-N 3.32Å; N287-I289 PolarHBondContact O-N 2.7Å; I289-K293 HydrophobicContact CG2-CD 4Å; I289-K293 WeakPolarHBondContact O-CB 3.49Å; I289-K293 VanDerWaalsContact O-CG 3.31Å; I289-K293 WeakPolarHBondContact O-CG 3.46Å; I289-K293 PolarHBondContact O-N 3.32Å
290	K	93.8	Very high	93.2	Very high	110 Å²	110	36.4 Å²	36.4	48%	0.478	20%	0.199	S	C	.	.	H	α-helix	trans	-62.2	-45.9	176.2	-74.4	165.6	-175.1	172.3	0	110.3	E157 G286 N287 K293 K294	E157-K290 IonicContact OE1-NZ 2.69Å; E157-K290 PolarHBondContact OE1-NZ 3.11Å; G286-K290 VanDerWaalsContact O-CG 3.26Å; G286-K290 WeakPolarHBondContact O-CG 3.34Å; G286-K290 PolarHBondContact O-N 3.06Å; N287-K290 PolarHBondContact O-N 3.47Å; K290-K293 PolarHBondContact O-N 3.1Å; K290-K294 PolarHBondContact O-N 2.68Å
291	Y	94.2	Very high	92.6	Very high	27 Å²	27	39.4 Å²	39.4	11%	0.106	22%	0.22	C	C	.	.	H	α-helix	trans	-58.9	-56.2	174.7	178.3	-103.2	0	0	0	112.3	N287 A288 K293 K294 E295 Y319	N287-Y291 PolarHBondContact O-N 2.77Å; A288-Y291 PolarHBondContact O-N 3.26Å; Y291-K293 VanDerWaalsContact C-N 3.27Å; Y291-K293 PolarHBondContact O-N 3.34Å; Y291-K294 WeakPolarHBondContact O-CA 3.21Å; Y291-K294 WeakPolarHBondContact O-CB 3.49Å; Y291-K294 PolarHBondContact O-N 3.05Å; Y291-E295 HydrophobicContact CD1-CG 4.27Å; Y291-E295 HydrophobicContact CD2-CG 4.42Å; Y291-E295 HydrophobicContact CE1-CG 3.79Å; Y291-E295 HydrophobicContact CE2-CG 3.95Å; Y291-E295 PolarHBondContact O-N 3.4Å; Y291-Y319 AromaticContact CD1-CD2 3.27Å; Y291-Y319 HydrophobicContact CD1-CD2 3.27Å; Y291-Y319 AromaticContact CD1-CE2 3.73Å; Y291-Y319 HydrophobicContact CD1-CE2 3.73Å; Y291-Y319 AromaticContact CD1-CG 3.92Å; Y291-Y319 HydrophobicContact CD1-CG 3.92Å; Y291-Y319 HydrophobicContact CD2-CD2 4.19Å; Y291-Y319 HydrophobicContact CD2-CE2 4.31Å; Y291-Y319 AromaticContact CE1-CD2 3.45Å; Y291-Y319 HydrophobicContact CE1-CD2 3.45Å; Y291-Y319 VanDerWaalsContact CE1-CD2 3.45Å; Y291-Y319 HydrophobicContact CE1-CE2 4.33Å; Y291-Y319 AromaticContact CE1-CG 3.94Å; Y291-Y319 HydrophobicContact CE1-CG 3.94Å; Y291-Y319 HydrophobicContact CE2-CD2 4.35Å; Y291-Y319 AromaticContact CG-CD2 3.68Å; Y291-Y319 HydrophobicContact CG-CD2 3.68Å; Y291-Y319 AromaticContact CG-CE2 3.72Å; Y291-Y319 HydrophobicContact CG-CE2 3.72Å
292	V	94.6	Very high	92	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-37.3	-179	171.6	0	0	0	0	112.2	L242 F245 A288 E295 I296 I316	L242-V292 HydrophobicContact CD2-CG2 3.74Å; F245-V292 HydrophobicContact CD2-CG1 4.2Å; F245-V292 HydrophobicContact CD2-CG2 4.48Å; A288-V292 WeakPolarHBondContact O-CG2 3.46Å; A288-V292 PolarHBondContact O-N 3.05Å; V292-E295 PolarHBondContact O-N 3.22Å; V292-I296 HydrophobicContact CG1-CD1 3.8Å; V292-I296 HydrophobicContact CG1-CG1 4.43Å; V292-I296 WeakPolarHBondContact O-CD1 3.5Å; V292-I296 WeakPolarHBondContact O-CG1 3.44Å; V292-I296 PolarHBondContact O-N 2.74Å; V292-I316 HydrophobicContact CG2-CD1 4.4Å; V292-I316 HydrophobicContact CG2-CG1 4.02Å
293	K	94.1	Very high	91.5	Very high	63 Å²	63	47.4 Å²	47.4	27%	0.274	26%	0.259	S	S	.	.	H	α-helix	trans	-67.3	-36.3	174.6	-75.5	173.1	178.6	171.6	0	113.5	I289 K290 Y291 S297	I289-K293 HydrophobicContact CG2-CD 4Å; I289-K293 WeakPolarHBondContact O-CB 3.49Å; I289-K293 VanDerWaalsContact O-CG 3.31Å; I289-K293 WeakPolarHBondContact O-CG 3.46Å; I289-K293 PolarHBondContact O-N 3.32Å; K290-K293 PolarHBondContact O-N 3.1Å; Y291-K293 VanDerWaalsContact C-N 3.27Å; Y291-K293 PolarHBondContact O-N 3.34Å; K293-S297 WeakPolarHBondContact O-CB 3.4Å; K293-S297 PolarHBondContact O-N 3.13Å; K293-S297 VanDerWaalsContact O-N 3.13Å; K293-S297 PolarHBondContact O-OG 3.4Å
294	K	92.9	Very high	91.2	Very high	71 Å²	71	54.1 Å²	54.1	31%	0.309	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-51	172.4	-169	-171.2	-174.3	-173.3	0	110.2	K290 Y291 I296 S297 N298 Q535	K290-K294 PolarHBondContact O-N 2.68Å; Y291-K294 WeakPolarHBondContact O-CA 3.21Å; Y291-K294 WeakPolarHBondContact O-CB 3.49Å; Y291-K294 PolarHBondContact O-N 3.05Å; K294-I296 VanDerWaalsContact C-N 3.34Å; K294-I296 PolarHBondContact O-N 3.16Å; K294-S297 CarbonylContact O-C 3.6Å; K294-S297 WeakPolarHBondContact O-CA 3.47Å; K294-S297 WeakPolarHBondContact O-CB 3.48Å; K294-S297 PolarHBondContact O-N 2.85Å; K294-N298 PolarHBondContact O-N 3.23Å; K294-Q535 PolarHBondContact NZ-O 3.06Å; K294-Q535 PolarHBondContact NZ-OXT 2.91Å
295	E	93.3	Very high	91	Very high	44 Å²	44	56.6 Å²	56.6	21%	0.206	30%	0.295	C	S	.	.	H	α-helix	trans	-57	-44	178.2	-65.9	-56.6	112.2	0	0	112.5	Y291 V292 S297 N298 I299 L312 C315	Y291-E295 HydrophobicContact CD1-CG 4.27Å; Y291-E295 HydrophobicContact CD2-CG 4.42Å; Y291-E295 HydrophobicContact CE1-CG 3.79Å; Y291-E295 HydrophobicContact CE2-CG 3.95Å; Y291-E295 PolarHBondContact O-N 3.4Å; V292-E295 PolarHBondContact O-N 3.22Å; E295-S297 VanDerWaalsContact C-N 3.28Å; E295-S297 PolarHBondContact O-N 3.24Å; E295-N298 PolarHBondContact O-N 3.44Å; E295-I299 WeakPolarHBondContact O-CG1 3.22Å; E295-L312 HydrophobicContact CB-CD2 4.12Å; E295-C315 HydrophobicContact CG-CB 4.31Å; E295-C315 PolarHBondContact OE2-SG 2.85Å
296	I	92.7	Very high	90.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-34.3	175.8	-63.1	160.2	0	0	0	112	S261 L264 V265 L268 V292 K294 N298 L312	S261-I296 VanDerWaalsContact CB-O 3.27Å; S261-I296 WeakPolarHBondContact CB-O 3.31Å; L264-I296 HydrophobicContact CB-CG2 4.27Å; L264-I296 HydrophobicContact CD2-CD1 3.84Å; L264-I296 HydrophobicContact CD2-CG1 3.94Å; L264-I296 HydrophobicContact CD2-CG2 4.04Å; L264-I296 HydrophobicContact CG-CD1 4.05Å; L264-I296 HydrophobicContact CG-CG2 4.39Å; V265-I296 HydrophobicContact CG2-CB 4.07Å; V265-I296 HydrophobicContact CG2-CD1 4.49Å; V265-I296 HydrophobicContact CG2-CG2 3.68Å; L268-I296 HydrophobicContact CD1-CD1 3.5Å; L268-I296 VanDerWaalsContact CD1-CD1 3.5Å; V292-I296 HydrophobicContact CG1-CD1 3.8Å; V292-I296 HydrophobicContact CG1-CG1 4.43Å; V292-I296 WeakPolarHBondContact O-CD1 3.5Å; V292-I296 WeakPolarHBondContact O-CG1 3.44Å; V292-I296 PolarHBondContact O-N 2.74Å; K294-I296 VanDerWaalsContact C-N 3.34Å; K294-I296 PolarHBondContact O-N 3.16Å; I296-N298 VanDerWaalsContact C-N 3.34Å; I296-L312 HydrophobicContact CB-CD2 4.4Å; I296-L312 HydrophobicContact CG1-CD1 3.9Å; I296-L312 HydrophobicContact CG1-CD2 3.57Å; I296-L312 HydrophobicContact CG1-CG 4.4Å
297	S	91.8	Very high	90.6	Very high	77 Å²	77	64.9 Å²	64.9	54%	0.538	33%	0.329	S	S	.	.	H	α-helix	trans	-76.4	-22.9	179.5	-52.5	0	0	0	0	112.7	K293 K294 E295	K293-S297 WeakPolarHBondContact O-CB 3.4Å; K293-S297 PolarHBondContact O-N 3.13Å; K293-S297 VanDerWaalsContact O-N 3.13Å; K293-S297 PolarHBondContact O-OG 3.4Å; K294-S297 CarbonylContact O-C 3.6Å; K294-S297 WeakPolarHBondContact O-CA 3.47Å; K294-S297 WeakPolarHBondContact O-CB 3.48Å; K294-S297 PolarHBondContact O-N 2.85Å; E295-S297 VanDerWaalsContact C-N 3.28Å; E295-S297 PolarHBondContact O-N 3.24Å
298	N	90.4	Very high	90.4	Very high	101 Å²	101	63.2 Å²	63.2	54%	0.54	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-2.1	178.4	-71.2	-8.6	0	0	0	113.5	K294 E295 I296 P300	K294-N298 PolarHBondContact O-N 3.23Å; E295-N298 PolarHBondContact O-N 3.44Å; I296-N298 VanDerWaalsContact C-N 3.34Å; N298-P300 WeakPolarHBondContact O-CD 3.31Å
299	I	89.3	Confident	90.3	Very high	25 Å²	25	63.8 Å²	63.8	13%	0.128	32%	0.323	C	S	.	.	S	Bend	trans	-69.8	125.3	177.7	-60.7	173.8	0	0	0	109.6	L260 E295 S301 C303 A308 L312	L260-I299 HydrophobicContact CD2-CD1 3.84Å; E295-I299 WeakPolarHBondContact O-CG1 3.22Å; I299-S301 PolarHBondContact O-N 3.38Å; I299-C303 HydrophobicContact CG2-CB 4.39Å; I299-A308 HydrophobicContact CD1-CB 4.3Å; I299-A308 HydrophobicContact CG2-CB 3.86Å; I299-L312 HydrophobicContact CD1-CD1 3.7Å; I299-L312 HydrophobicContact CD1-CD2 3.95Å; I299-L312 HydrophobicContact CD1-CG 3.71Å
300	P	86	Confident	90.3	Very high	72 Å²	72	68.4 Å²	68.4	47%	0.468	35%	0.345	S	S	.	.			trans	-64.2	132.7	174.4	-19.9	31.8	0	0	0	111.7	N298 Q302 C303	N298-P300 WeakPolarHBondContact O-CD 3.31Å; P300-Q302 PolarHBondContact O-N 2.91Å; P300-C303 WeakPolarHBondContact O-CB 3.39Å; P300-C303 PolarHBondContact O-N 2.82Å
301	S	80.7	Confident	90.3	Very high	92 Å²	92	67.3 Å²	67.3	64%	0.643	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-11.5	177.2	-52.1	0	0	0	0	114.5	E259 I299	E259-S301 WeakPolarHBondContact OE1-CB 3.46Å; E259-S301 PolarHBondContact OE1-OG 2.79Å; I299-S301 PolarHBondContact O-N 3.38Å
302	Q	79.9	Confident	90.3	Very high	191 Å²	191	66.2 Å²	66.2	89%	0.893	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-11.2	178.2	-62.3	169.7	1.2	0	0	113.7	P300	P300-Q302 PolarHBondContact O-N 2.91Å
303	C	83.1	Confident	90.3	Very high	30 Å²	30	67.1 Å²	67.1	20%	0.203	34%	0.34	C	S	.	.	S	Bend	trans	-74.1	140.9	179.8	-74.3	0	0	0	0	111.7	I299 P300 A308 K311	I299-C303 HydrophobicContact CG2-CB 4.39Å; P300-C303 WeakPolarHBondContact O-CB 3.39Å; P300-C303 PolarHBondContact O-N 2.82Å; C303-A308 HydrophobicContact CB-CB 4.47Å; C303-K311 PolarHBondContact SG-NZ 3.47Å
304	K	88.1	Confident	90.4	Very high	165 Å²	165	70.4 Å²	70.4	72%	0.717	36%	0.355	S	S	*	.			trans	-65.8	148.7	170.6	-66.9	-179	179.7	178.6	0	110.4	E306 E307 A308	K304-E306 PolarHBondContact O-N 2.78Å; K304-E307 HydrophobicContact CB-CB 4.39Å; K304-E307 WeakPolarHBondContact O-CB 3.39Å; K304-E307 PolarHBondContact O-N 3.2Å; K304-A308 PolarHBondContact O-N 3.5Å
305	E	88.8	Confident	90.5	Very high	51 Å²	51	68.6 Å²	68.6	24%	0.238	35%	0.351	C	S	.	.	H	α-helix	trans	-50.1	-50.3	-178.9	172.1	166.6	157.6	0	0	113.1	T253 T254 L260 E307 A308 K309	T253-E305 WeakPolarHBondContact CA-OE1 3.47Å; T254-E305 WeakPolarHBondContact CB-OE2 3.29Å; T254-E305 PolarHBondContact N-OE1 3.41Å; T254-E305 PolarHBondContact N-OE2 3.39Å; T254-E305 VanDerWaalsContact OG1-CD 3.23Å; T254-E305 PolarHBondContact OG1-OE2 3.22Å; L260-E305 HydrophobicContact CD1-CB 4.41Å; L260-E305 HydrophobicContact CD1-CG 3.98Å; E305-E307 VanDerWaalsContact C-N 3.32Å; E305-E307 PolarHBondContact O-N 2.93Å; E305-A308 WeakPolarHBondContact O-CB 3.44Å; E305-A308 PolarHBondContact O-N 3.01Å; E305-K309 HydrophobicContact CG-CD 4.23Å; E305-K309 WeakPolarHBondContact O-CG 3.28Å; E305-K309 PolarHBondContact O-N 2.65Å; E305-K309 WeakPolarHBondContact OE1-CE 3.37Å; E305-K309 IonicContact OE1-NZ 3.05Å; E305-K309 PolarHBondContact OE1-NZ 3.2Å
306	E	90.8	Very high	90.7	Very high	106 Å²	106	66.7 Å²	66.7	50%	0.495	34%	0.342	S	S	.	.	H	α-helix	trans	-68	-31.5	-178.7	-66.1	-51.6	135.6	0	0	113.3	K304 K309 Q310	K304-E306 PolarHBondContact O-N 2.78Å; E306-K309 IonicContact OE1-NZ 3.16Å; E306-K309 PolarHBondContact OE1-NZ 3.41Å; E306-Q310 WeakPolarHBondContact O-CB 3.46Å; E306-Q310 VanDerWaalsContact O-CG 3.25Å; E306-Q310 WeakPolarHBondContact O-CG 3.33Å; E306-Q310 PolarHBondContact O-N 3.01Å
307	E	91.6	Very high	90.9	Very high	86 Å²	86	71 Å²	71	40%	0.402	36%	0.362	S	S	.	.	H	α-helix	trans	-69.1	-41.4	174.1	-163.9	-164	149.9	0	0	110.9	K304 E305 Q310 K311	K304-E307 HydrophobicContact CB-CB 4.39Å; K304-E307 WeakPolarHBondContact O-CB 3.39Å; K304-E307 PolarHBondContact O-N 3.2Å; E305-E307 VanDerWaalsContact C-N 3.32Å; E305-E307 PolarHBondContact O-N 2.93Å; E307-Q310 PolarHBondContact O-N 2.96Å; E307-K311 WeakPolarHBondContact O-CB 3.46Å; E307-K311 WeakPolarHBondContact O-CG 3.46Å; E307-K311 PolarHBondContact O-N 3.34Å; E307-K311 VanDerWaalsContact OE1-CE 3.26Å; E307-K311 WeakPolarHBondContact OE1-CE 3.24Å; E307-K311 IonicContact OE1-NZ 2.68Å; E307-K311 PolarHBondContact OE1-NZ 3.13Å
308	A	91.6	Very high	91.1	Very high	3 Å²	3	73.6 Å²	73.6	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-45.4	174.8	0	0	0	0	0	111.9	L260 I299 C303 K304 E305 K311 L312	L260-A308 HydrophobicContact CD1-CB 4.08Å; L260-A308 HydrophobicContact CD2-CB 4.41Å; I299-A308 HydrophobicContact CD1-CB 4.3Å; I299-A308 HydrophobicContact CG2-CB 3.86Å; C303-A308 HydrophobicContact CB-CB 4.47Å; K304-A308 PolarHBondContact O-N 3.5Å; E305-A308 WeakPolarHBondContact O-CB 3.44Å; E305-A308 PolarHBondContact O-N 3.01Å; A308-K311 PolarHBondContact O-N 2.84Å; A308-L312 WeakPolarHBondContact O-CG 3.06Å; A308-L312 PolarHBondContact O-N 3.05Å
309	K	93.6	Very high	91.3	Very high	12 Å²	12	69.3 Å²	69.3	5%	0.052	34%	0.336	C	S	.	.	H	α-helix	trans	-58.1	-48.5	172	-72.7	175.9	-174	165.5	0	111.4	I249 Y252 E305 E306 K311 L312 L313	I249-K309 HydrophobicContact CG2-CB 4.32Å; I249-K309 HydrophobicContact CG2-CG 4.23Å; I249-K309 WeakPolarHBondContact O-CD 3.09Å; Y252-K309 WeakPolarHBondContact O-CE 3.29Å; Y252-K309 PolarHBondContact O-NZ 3.25Å; E305-K309 HydrophobicContact CG-CD 4.23Å; E305-K309 WeakPolarHBondContact O-CG 3.28Å; E305-K309 PolarHBondContact O-N 2.65Å; E305-K309 WeakPolarHBondContact OE1-CE 3.37Å; E305-K309 IonicContact OE1-NZ 3.05Å; E305-K309 PolarHBondContact OE1-NZ 3.2Å; E306-K309 IonicContact OE1-NZ 3.16Å; E306-K309 PolarHBondContact OE1-NZ 3.41Å; K309-K311 VanDerWaalsContact C-N 3.35Å; K309-K311 PolarHBondContact O-N 2.83Å; K309-L312 PolarHBondContact O-N 3.49Å; K309-L313 WeakPolarHBondContact O-CB 3.44Å; K309-L313 WeakPolarHBondContact O-CG 3.48Å; K309-L313 PolarHBondContact O-N 3.48Å
310	Q	94.4	Very high	91.7	Very high	108 Å²	108	68.8 Å²	68.8	51%	0.505	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-40.6	179.2	-76.5	-177.7	20.6	0	0	112.6	E306 E307 L313 K314	E306-Q310 WeakPolarHBondContact O-CB 3.46Å; E306-Q310 VanDerWaalsContact O-CG 3.25Å; E306-Q310 WeakPolarHBondContact O-CG 3.33Å; E306-Q310 PolarHBondContact O-N 3.01Å; E307-Q310 PolarHBondContact O-N 2.96Å; Q310-L313 PolarHBondContact O-N 3.26Å; Q310-K314 WeakPolarHBondContact O-CB 3.41Å; Q310-K314 VanDerWaalsContact O-CG 3.3Å; Q310-K314 WeakPolarHBondContact O-CG 3.42Å; Q310-K314 PolarHBondContact O-N 3Å
311	K	93.9	Very high	92.2	Very high	86 Å²	86	71.6 Å²	71.6	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-59.1	-52.4	173.1	-76.5	167.1	172.3	170.2	0	110.9	C303 E307 A308 K309 L313 K314 C315	C303-K311 PolarHBondContact SG-NZ 3.47Å; E307-K311 WeakPolarHBondContact O-CB 3.46Å; E307-K311 WeakPolarHBondContact O-CG 3.46Å; E307-K311 PolarHBondContact O-N 3.34Å; E307-K311 VanDerWaalsContact OE1-CE 3.26Å; E307-K311 WeakPolarHBondContact OE1-CE 3.24Å; E307-K311 IonicContact OE1-NZ 2.68Å; E307-K311 PolarHBondContact OE1-NZ 3.13Å; A308-K311 PolarHBondContact O-N 2.84Å; K309-K311 VanDerWaalsContact C-N 3.35Å; K309-K311 PolarHBondContact O-N 2.83Å; K311-L313 PolarHBondContact O-N 3.25Å; K311-K314 PolarHBondContact O-N 3Å; K311-C315 PolarHBondContact O-N 3.26Å; K311-C315 PolarHBondContact O-SG 3.48Å; K311-C315 VanDerWaalsContact O-SG 3.33Å
312	L	94.6	Very high	92.8	Very high	4 Å²	4	70.1 Å²	70.1	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-58.3	-43.8	177.6	-75.1	175.6	0	0	0	113.6	I249 L264 E295 I296 I299 A308 K309 K314 C315 I316	I249-L312 HydrophobicContact CD1-CB 4.37Å; I249-L312 HydrophobicContact CD1-CD1 4.37Å; I249-L312 HydrophobicContact CG2-CB 4.19Å; I249-L312 HydrophobicContact CG2-CD1 4.17Å; L264-L312 HydrophobicContact CD2-CD1 3.69Å; E295-L312 HydrophobicContact CB-CD2 4.12Å; I296-L312 HydrophobicContact CB-CD2 4.4Å; I296-L312 HydrophobicContact CG1-CD1 3.9Å; I296-L312 HydrophobicContact CG1-CD2 3.57Å; I296-L312 HydrophobicContact CG1-CG 4.4Å; I299-L312 HydrophobicContact CD1-CD1 3.7Å; I299-L312 HydrophobicContact CD1-CD2 3.95Å; I299-L312 HydrophobicContact CD1-CG 3.71Å; A308-L312 WeakPolarHBondContact O-CG 3.06Å; A308-L312 PolarHBondContact O-N 3.05Å; K309-L312 PolarHBondContact O-N 3.49Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 3.33Å; L312-C315 PolarHBondContact O-N 3.39Å; L312-I316 WeakPolarHBondContact O-CG1 3.44Å; L312-I316 PolarHBondContact O-N 3.44Å
313	L	95.9	Very high	93.5	Very high	22 Å²	22	62.4 Å²	62.4	12%	0.115	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-38.5	178.9	-69.9	171.1	0	0	0	111.6	R246 I249 R250 K309 Q310 K311 E317	R246-L313 HydrophobicContact CB-CD2 3.68Å; R246-L313 HydrophobicContact CG-CD2 3.83Å; R246-L313 WeakPolarHBondContact O-CD2 3.41Å; I249-L313 HydrophobicContact CB-CD2 4.39Å; I249-L313 HydrophobicContact CG2-CD2 4.27Å; I249-L313 HydrophobicContact CG2-CG 4.25Å; R250-L313 HydrophobicContact CG-CD1 3.76Å; R250-L313 HydrophobicContact CG-CD2 4.11Å; K309-L313 WeakPolarHBondContact O-CB 3.44Å; K309-L313 WeakPolarHBondContact O-CG 3.48Å; K309-L313 PolarHBondContact O-N 3.48Å; Q310-L313 PolarHBondContact O-N 3.26Å; K311-L313 PolarHBondContact O-N 3.25Å; L313-E317 PolarHBondContact O-N 3.02Å; L313-E317 VanDerWaalsContact O-N 3.1Å
314	K	96	Very high	94.1	Very high	133 Å²	133	61.4 Å²	61.4	58%	0.578	28%	0.278	S	S	*	.	H	α-helix	trans	-68.2	-43.8	173.8	-72.5	171.9	-178.7	176.5	0	111.9	Q310 K311 L312 I316 E317 W318	Q310-K314 WeakPolarHBondContact O-CB 3.41Å; Q310-K314 VanDerWaalsContact O-CG 3.3Å; Q310-K314 WeakPolarHBondContact O-CG 3.42Å; Q310-K314 PolarHBondContact O-N 3Å; K311-K314 PolarHBondContact O-N 3Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 3.33Å; K314-I316 VanDerWaalsContact C-N 3.3Å; K314-I316 PolarHBondContact O-N 3.4Å; K314-E317 PolarHBondContact O-N 3.15Å; K314-W318 WeakPolarHBondContact O-CB 3.47Å; K314-W318 PolarHBondContact O-N 2.93Å
315	C	95.2	Very high	94.5	Very high	33 Å²	33	58.1 Å²	58.1	22%	0.223	27%	0.267	C	S	.	.	H	α-helix	trans	-58.7	-41.1	175.3	-64.9	0	0	0	0	111.7	E295 K311 L312 W318 Y319	E295-C315 HydrophobicContact CG-CB 4.31Å; E295-C315 PolarHBondContact OE2-SG 2.85Å; K311-C315 PolarHBondContact O-N 3.26Å; K311-C315 PolarHBondContact O-SG 3.48Å; K311-C315 VanDerWaalsContact O-SG 3.33Å; L312-C315 PolarHBondContact O-N 3.39Å; C315-W318 PolarHBondContact O-N 3.35Å; C315-Y319 WeakPolarHBondContact O-CB 3.45Å; C315-Y319 PolarHBondContact O-N 2.89Å
316	I	96.3	Very high	94.8	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-67.3	-42.3	176.6	-66.2	166.9	0	0	0	111.9	L242 F245 R246 I249 V292 L312 K314 Y319 I320	L242-I316 HydrophobicContact CB-CG2 3.74Å; L242-I316 HydrophobicContact CD2-CG2 4Å; L242-I316 HydrophobicContact CG-CG2 4.34Å; F245-I316 HydrophobicContact CB-CD1 4.45Å; R246-I316 HydrophobicContact CG-CB 4.02Å; R246-I316 HydrophobicContact CG-CD1 4.01Å; R246-I316 HydrophobicContact CG-CG2 3.61Å; I249-I316 HydrophobicContact CD1-CD1 3.63Å; V292-I316 HydrophobicContact CG2-CD1 4.4Å; V292-I316 HydrophobicContact CG2-CG1 4.02Å; L312-I316 WeakPolarHBondContact O-CG1 3.44Å; L312-I316 PolarHBondContact O-N 3.44Å; K314-I316 VanDerWaalsContact C-N 3.3Å; K314-I316 PolarHBondContact O-N 3.4Å; I316-Y319 PolarHBondContact O-N 3.31Å; I316-I320 HydrophobicContact CG2-CD1 4.23Å; I316-I320 WeakPolarHBondContact O-CG1 3.3Å; I316-I320 PolarHBondContact O-N 2.81Å; I316-I320 VanDerWaalsContact O-N 3.1Å
317	E	96.3	Very high	95.1	Very high	92 Å²	92	55.1 Å²	55.1	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-62.8	-43.3	174.9	-79.1	-177.7	143	0	0	112.4	R246 L313 K314 I320 K321	R246-E317 IonicContact CZ-OE1 2.7Å; R246-E317 IonicContact CZ-OE2 2.69Å; R246-E317 VanDerWaalsContact NH1-CD 3.29Å; R246-E317 IonicContact NH1-OE1 2.77Å; R246-E317 PolarHBondContact NH1-OE1 2.93Å; R246-E317 IonicContact NH2-OE1 2.73Å; R246-E317 PolarHBondContact NH2-OE1 2.9Å; R246-E317 IonicContact NH2-OE2 2.63Å; R246-E317 PolarHBondContact NH2-OE2 3.37Å; L313-E317 PolarHBondContact O-N 3.02Å; L313-E317 VanDerWaalsContact O-N 3.1Å; K314-E317 PolarHBondContact O-N 3.15Å; E317-I320 PolarHBondContact O-N 3.43Å; E317-K321 WeakPolarHBondContact O-CB 3.44Å; E317-K321 PolarHBondContact O-N 3.4Å
318	W	96	Very high	95.3	Very high	130 Å²	130	51.6 Å²	51.6	49%	0.492	24%	0.241	S	C	.	.	H	α-helix	trans	-63	-43.3	177.6	-174.5	80.2	0	0	0	111.3	K314 C315 I320 K321 E322	K314-W318 WeakPolarHBondContact O-CB 3.47Å; K314-W318 PolarHBondContact O-N 2.93Å; C315-W318 PolarHBondContact O-N 3.35Å; W318-I320 PolarHBondContact O-N 3.05Å; W318-K321 PolarHBondContact O-N 3.41Å; W318-E322 WeakPolarHBondContact CH2-OE2 3.41Å; W318-E322 HydrophobicContact CZ2-CG 4.27Å; W318-E322 WeakPolarHBondContact CZ2-OE1 3.41Å; W318-E322 WeakPolarHBondContact CZ2-OE2 3.2Å; W318-E322 WeakPolarHBondContact CZ3-OE2 3.4Å; W318-E322 VanDerWaalsContact O-CB 3.3Å; W318-E322 WeakPolarHBondContact O-CB 3.34Å; W318-E322 PolarHBondContact O-N 3.18Å
319	Y	96	Very high	95.5	Very high	11 Å²	11	53.5 Å²	53.5	4%	0.043	25%	0.253	C	S	.	.	H	α-helix	trans	-58.4	-45.5	174	-174.9	-83.4	0	0	0	112.6	L242 A288 Y291 C315 I316 K323 Y453	L242-Y319 HydrophobicContact CD1-CD1 3.51Å; L242-Y319 HydrophobicContact CD1-CE1 3.81Å; A288-Y319 HydrophobicContact CB-CE1 4.13Å; Y291-Y319 AromaticContact CD1-CD2 3.27Å; Y291-Y319 HydrophobicContact CD1-CD2 3.27Å; Y291-Y319 AromaticContact CD1-CE2 3.73Å; Y291-Y319 HydrophobicContact CD1-CE2 3.73Å; Y291-Y319 AromaticContact CD1-CG 3.92Å; Y291-Y319 HydrophobicContact CD1-CG 3.92Å; Y291-Y319 HydrophobicContact CD2-CD2 4.19Å; Y291-Y319 HydrophobicContact CD2-CE2 4.31Å; Y291-Y319 AromaticContact CE1-CD2 3.45Å; Y291-Y319 HydrophobicContact CE1-CD2 3.45Å; Y291-Y319 VanDerWaalsContact CE1-CD2 3.45Å; Y291-Y319 HydrophobicContact CE1-CE2 4.33Å; Y291-Y319 AromaticContact CE1-CG 3.94Å; Y291-Y319 HydrophobicContact CE1-CG 3.94Å; Y291-Y319 HydrophobicContact CE2-CD2 4.35Å; Y291-Y319 AromaticContact CG-CD2 3.68Å; Y291-Y319 HydrophobicContact CG-CD2 3.68Å; Y291-Y319 AromaticContact CG-CE2 3.72Å; Y291-Y319 HydrophobicContact CG-CE2 3.72Å; C315-Y319 WeakPolarHBondContact O-CB 3.45Å; C315-Y319 PolarHBondContact O-N 2.89Å; I316-Y319 PolarHBondContact O-N 3.31Å; Y319-K323 HydrophobicContact CD2-CB 4.45Å; Y319-K323 HydrophobicContact CD2-CG 3.85Å; Y319-K323 HydrophobicContact CE1-CB 4.48Å; Y319-K323 HydrophobicContact CE2-CB 4.41Å; Y319-K323 HydrophobicContact CE2-CG 3.99Å; Y319-K323 HydrophobicContact CG-CG 4.26Å; Y319-K323 VanDerWaalsContact O-CB 3.31Å; Y319-K323 WeakPolarHBondContact O-CB 3.46Å; Y319-K323 PolarHBondContact O-N 3.1Å; Y319-Y453 HydrophobicContact CE1-CD2 4.41Å; Y319-Y453 WeakPolarHBondContact OH-CD2 3.47Å
320	I	96.7	Very high	95.7	Very high	15 Å²	15	54.3 Å²	54.3	8%	0.077	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-47.7	176.4	-65.4	168.4	0	0	0	110.3	V239 L242 I316 E317 W318 I324 I325	V239-I320 HydrophobicContact CG2-CG2 4.42Å; L242-I320 HydrophobicContact CB-CD1 3.88Å; L242-I320 HydrophobicContact CB-CG1 4.19Å; L242-I320 HydrophobicContact CD1-CD1 4.32Å; L242-I320 HydrophobicContact CD1-CG1 3.68Å; I316-I320 HydrophobicContact CG2-CD1 4.23Å; I316-I320 WeakPolarHBondContact O-CG1 3.3Å; I316-I320 PolarHBondContact O-N 2.81Å; I316-I320 VanDerWaalsContact O-N 3.1Å; E317-I320 PolarHBondContact O-N 3.43Å; W318-I320 PolarHBondContact O-N 3.05Å; I320-I324 WeakPolarHBondContact O-CB 3.26Å; I320-I324 PolarHBondContact O-N 3.07Å; I320-I325 HydrophobicContact CG2-CD1 4.19Å; I320-I325 PolarHBondContact O-N 3.3Å; I320-I325 VanDerWaalsContact O-N 3.1Å
321	K	96.5	Very high	95.8	Very high	130 Å²	130	49.1 Å²	49.1	57%	0.565	24%	0.237	S	C	*	.	I	π-helix	trans	-63.6	-50.5	-177	-174.7	177.6	179.5	-178.7	0	111.6	E317 W318 I325 L326	E317-K321 WeakPolarHBondContact O-CB 3.44Å; E317-K321 PolarHBondContact O-N 3.4Å; W318-K321 PolarHBondContact O-N 3.41Å; K321-I325 WeakPolarHBondContact O-CB 3.21Å; K321-I325 PolarHBondContact O-N 3.32Å; K321-L326 WeakPolarHBondContact O-CG 3.49Å; K321-L326 PolarHBondContact O-N 3.23Å
322	E	94.7	Very high	96	Very high	61 Å²	61	45 Å²	45	29%	0.285	22%	0.219	S	C	.	.	I	π-helix	trans	-83.9	-53.8	-171.6	-170.8	-138.7	-164.8	0	0	112	W318 I324 A327	W318-E322 WeakPolarHBondContact CH2-OE2 3.41Å; W318-E322 HydrophobicContact CZ2-CG 4.27Å; W318-E322 WeakPolarHBondContact CZ2-OE1 3.41Å; W318-E322 WeakPolarHBondContact CZ2-OE2 3.2Å; W318-E322 WeakPolarHBondContact CZ3-OE2 3.4Å; W318-E322 VanDerWaalsContact O-CB 3.3Å; W318-E322 WeakPolarHBondContact O-CB 3.34Å; W318-E322 PolarHBondContact O-N 3.18Å; E322-I324 VanDerWaalsContact C-N 3.35Å; E322-I324 PolarHBondContact O-N 3.46Å; E322-A327 PolarHBondContact O-N 2.91Å
323	K	94	Very high	96	Very high	30 Å²	30	49.8 Å²	49.8	13%	0.13	24%	0.241	C	C	.	.	I	π-helix	trans	-77.8	-14.8	-174.1	-53.1	-55.5	-170.7	-144.6	0	114.3	Y319 A327 Y453	Y319-K323 HydrophobicContact CD2-CB 4.45Å; Y319-K323 HydrophobicContact CD2-CG 3.85Å; Y319-K323 HydrophobicContact CE1-CB 4.48Å; Y319-K323 HydrophobicContact CE2-CB 4.41Å; Y319-K323 HydrophobicContact CE2-CG 3.99Å; Y319-K323 HydrophobicContact CG-CG 4.26Å; Y319-K323 VanDerWaalsContact O-CB 3.31Å; Y319-K323 WeakPolarHBondContact O-CB 3.46Å; Y319-K323 PolarHBondContact O-N 3.1Å; K323-A327 WeakPolarHBondContact O-CB 2.97Å; K323-Y453 WeakPolarHBondContact O-CD1 3.42Å
324	I	95.3	Very high	96	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.046	24%	0.243	C	C	.	.	I	π-helix	trans	-119.4	-54.9	-179	-46.7	-178	0	0	0	111.8	N235 V239 I320 E322 A328 Y453	N235-I324 HydrophobicContact CB-CG2 4.37Å; V239-I324 HydrophobicContact CG2-CD1 3.67Å; V239-I324 HydrophobicContact CG2-CG2 4.32Å; I320-I324 WeakPolarHBondContact O-CB 3.26Å; I320-I324 PolarHBondContact O-N 3.07Å; E322-I324 VanDerWaalsContact C-N 3.35Å; E322-I324 PolarHBondContact O-N 3.46Å; I324-A328 VanDerWaalsContact O-CB 3.28Å; I324-A328 WeakPolarHBondContact O-CB 3.41Å; I324-A328 PolarHBondContact O-N 3.39Å; I324-A328 VanDerWaalsContact O-N 3.16Å; I324-Y453 HydrophobicContact CD1-CE2 4.38Å; I324-Y453 HydrophobicContact CG1-CD1 4.38Å; I324-Y453 HydrophobicContact CG1-CE1 3.88Å; I324-Y453 HydrophobicContact CG1-CE2 4.42Å
325	I	95.9	Very high	96	Very high	96 Å²	96	43.5 Å²	43.5	49%	0.492	22%	0.216	S	C	.	.	I	π-helix	trans	-75.6	-59.6	-173.8	-58.7	173.4	0	0	0	111.2	I320 K321 A327 A328 T329	I320-I325 HydrophobicContact CG2-CD1 4.19Å; I320-I325 PolarHBondContact O-N 3.3Å; I320-I325 VanDerWaalsContact O-N 3.1Å; K321-I325 WeakPolarHBondContact O-CB 3.21Å; K321-I325 PolarHBondContact O-N 3.32Å; I325-A327 VanDerWaalsContact C-N 3.28Å; I325-A327 PolarHBondContact O-N 3.25Å; I325-A328 WeakPolarHBondContact O-CB 3.46Å; I325-A328 PolarHBondContact O-N 3.34Å; I325-A328 VanDerWaalsContact O-N 3.08Å; I325-T329 PolarHBondContact O-N 3.04Å; I325-T329 PolarHBondContact O-OG1 3.37Å
326	L	96.3	Very high	96	Very high	92 Å²	92	42.3 Å²	42.3	48%	0.482	21%	0.207	S	C	.	.	I	π-helix	trans	-62.9	-36.7	179.5	-65.3	178.4	0	0	0	111.8	K321 A328 T329 A330	K321-L326 WeakPolarHBondContact O-CG 3.49Å; K321-L326 PolarHBondContact O-N 3.23Å; L326-A328 VanDerWaalsContact C-N 3.32Å; L326-A328 PolarHBondContact O-N 3.42Å; L326-T329 PolarHBondContact O-N 2.97Å; L326-A330 PolarHBondContact O-N 3Å
327	A	96.3	Very high	95.9	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.017	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-40.5	172.8	0	0	0	0	0	112.7	E322 K323 I325 I331 E451 E515	E322-A327 PolarHBondContact O-N 2.91Å; K323-A327 WeakPolarHBondContact O-CB 2.97Å; I325-A327 VanDerWaalsContact C-N 3.28Å; I325-A327 PolarHBondContact O-N 3.25Å; A327-I331 WeakPolarHBondContact O-CB 3.48Å; A327-I331 WeakPolarHBondContact O-CD1 3.3Å; A327-I331 WeakPolarHBondContact O-CG1 3.43Å; A327-I331 PolarHBondContact O-N 2.97Å; A327-E451 HydrophobicContact CB-CB 4.38Å; A327-E451 HydrophobicContact CB-CG 4.23Å; A327-E515 HydrophobicContact CB-CB 3.82Å; A327-E515 HydrophobicContact CB-CG 3.82Å
328	A	96	Very high	95.8	Very high	11 Å²	11	48.6 Å²	48.6	9%	0.091	24%	0.235	C	C	.	.	H	α-helix	trans	-66.5	-40.6	177.5	0	0	0	0	0	112.3	I324 I325 L326 I331 A332 L353	I324-A328 VanDerWaalsContact O-CB 3.28Å; I324-A328 WeakPolarHBondContact O-CB 3.41Å; I324-A328 PolarHBondContact O-N 3.39Å; I324-A328 VanDerWaalsContact O-N 3.16Å; I325-A328 WeakPolarHBondContact O-CB 3.46Å; I325-A328 PolarHBondContact O-N 3.34Å; I325-A328 VanDerWaalsContact O-N 3.08Å; L326-A328 VanDerWaalsContact C-N 3.32Å; L326-A328 PolarHBondContact O-N 3.42Å; A328-I331 PolarHBondContact O-N 3.29Å; A328-A332 WeakPolarHBondContact O-CB 3.33Å; A328-A332 PolarHBondContact O-N 3.21Å; A328-L353 HydrophobicContact CB-CD1 3.74Å
329	T	96.1	Very high	95.8	Very high	44 Å²	44	42.4 Å²	42.4	27%	0.27	21%	0.212	S	C	.	.	H	α-helix	trans	-64.6	-46.7	175.6	-52.1	0	0	0	0	111.8	I325 L326 I331 A332 E333	I325-T329 PolarHBondContact O-N 3.04Å; I325-T329 PolarHBondContact O-OG1 3.37Å; L326-T329 PolarHBondContact O-N 2.97Å; T329-I331 VanDerWaalsContact C-N 3.31Å; T329-I331 PolarHBondContact O-N 3.4Å; T329-A332 WeakPolarHBondContact O-CA 3.45Å; T329-A332 WeakPolarHBondContact O-CB 3.47Å; T329-A332 PolarHBondContact O-N 3.3Å; T329-E333 WeakPolarHBondContact O-CG 3.28Å; T329-E333 PolarHBondContact O-N 3.03Å
330	A	97	Very high	95.7	Very high	28 Å²	28	44.8 Å²	44.8	23%	0.231	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-36.4	177.6	0	0	0	0	0	112.8	L326 S334 E515	L326-A330 PolarHBondContact O-N 3Å; A330-S334 WeakPolarHBondContact O-CB 3.44Å; A330-S334 PolarHBondContact O-N 3.33Å; A330-S334 VanDerWaalsContact O-N 3.12Å; A330-S334 PolarHBondContact O-OG 2.93Å; A330-E515 HydrophobicContact CB-CB 3.97Å
331	I	97.4	Very high	95.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.7	-38.2	171.4	-70.2	165.4	0	0	0	110.9	A327 A328 T329 S335 L353 I357 C449 E451 I513 E515	A327-I331 WeakPolarHBondContact O-CB 3.48Å; A327-I331 WeakPolarHBondContact O-CD1 3.3Å; A327-I331 WeakPolarHBondContact O-CG1 3.43Å; A327-I331 PolarHBondContact O-N 2.97Å; A328-I331 PolarHBondContact O-N 3.29Å; T329-I331 VanDerWaalsContact C-N 3.31Å; T329-I331 PolarHBondContact O-N 3.4Å; I331-S335 WeakPolarHBondContact O-CB 3.5Å; I331-S335 PolarHBondContact O-N 2.9Å; I331-S335 PolarHBondContact O-OG 3.12Å; I331-L353 HydrophobicContact CB-CD1 4.34Å; I331-L353 HydrophobicContact CD1-CD2 4.16Å; I331-L353 HydrophobicContact CG2-CD1 4.14Å; I331-L353 HydrophobicContact CG2-CD2 4.17Å; I331-L353 HydrophobicContact CG2-CG 4.37Å; I331-I357 HydrophobicContact CG2-CD1 4.15Å; I331-C449 HydrophobicContact CG2-CB 4.12Å; I331-E451 HydrophobicContact CD1-CB 4.34Å; I331-E451 HydrophobicContact CD1-CG 3.92Å; I331-I513 HydrophobicContact CG2-CB 4.4Å; I331-I513 HydrophobicContact CG2-CG2 3.99Å; I331-E515 HydrophobicContact CG1-CB 4.38Å
332	A	96.9	Very high	95.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-47.8	177.6	0	0	0	0	0	112.2	A328 T329 S334 S335 I336 I357 E360	A328-A332 WeakPolarHBondContact O-CB 3.33Å; A328-A332 PolarHBondContact O-N 3.21Å; T329-A332 WeakPolarHBondContact O-CA 3.45Å; T329-A332 WeakPolarHBondContact O-CB 3.47Å; T329-A332 PolarHBondContact O-N 3.3Å; A332-S334 PolarHBondContact O-N 3.08Å; A332-S335 PolarHBondContact O-N 3.36Å; A332-S335 VanDerWaalsContact O-N 3.14Å; A332-I336 VanDerWaalsContact O-CD1 3.31Å; A332-I336 WeakPolarHBondContact O-CD1 3.18Å; A332-I336 WeakPolarHBondContact O-CG1 3.37Å; A332-I336 PolarHBondContact O-N 3.29Å; A332-I357 HydrophobicContact CB-CG1 4.07Å; A332-E360 VanDerWaalsContact CB-OE2 3.26Å; A332-E360 WeakPolarHBondContact CB-OE2 3.5Å
333	E	95.6	Very high	95.7	Very high	103 Å²	103	43.2 Å²	43.2	48%	0.481	25%	0.245	S	C	.	.	H	α-helix	trans	-54.1	-53.4	173.4	-68	177.5	151.6	0	0	111.6	T329 S335 I336 E337	T329-E333 WeakPolarHBondContact O-CG 3.28Å; T329-E333 PolarHBondContact O-N 3.03Å; E333-S335 VanDerWaalsContact C-N 3.3Å; E333-S335 PolarHBondContact O-N 3.26Å; E333-I336 PolarHBondContact O-N 2.85Å; E333-E337 PolarHBondContact O-N 3.3Å
334	S	95.9	Very high	95.9	Very high	23 Å²	23	42.4 Å²	42.4	16%	0.161	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-39.6	176.6	-57.4	0	0	0	0	112.5	A330 A332 M518	A330-S334 WeakPolarHBondContact O-CB 3.44Å; A330-S334 PolarHBondContact O-N 3.33Å; A330-S334 VanDerWaalsContact O-N 3.12Å; A330-S334 PolarHBondContact O-OG 2.93Å; A332-S334 PolarHBondContact O-N 3.08Å; S334-M518 WeakPolarHBondContact O-CE 3.08Å
335	S	95.6	Very high	96.1	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.7	-37	-178.6	-62.1	0	0	0	0	112.4	I331 A332 E333 E337 K338 I339 I513	I331-S335 WeakPolarHBondContact O-CB 3.5Å; I331-S335 PolarHBondContact O-N 2.9Å; I331-S335 PolarHBondContact O-OG 3.12Å; A332-S335 PolarHBondContact O-N 3.36Å; A332-S335 VanDerWaalsContact O-N 3.14Å; E333-S335 VanDerWaalsContact C-N 3.3Å; E333-S335 PolarHBondContact O-N 3.26Å; S335-E337 VanDerWaalsContact C-N 3.27Å; S335-E337 PolarHBondContact O-N 3.42Å; S335-K338 PolarHBondContact O-N 3.01Å; S335-I339 PolarHBondContact O-N 2.9Å; S335-I513 WeakPolarHBondContact OG-CD1 3.2Å
336	I	95	Very high	96.2	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-69.8	-24.9	-178	-66.1	160.1	0	0	0	111.8	A332 E333 K338 I339 E360 A361 K364 R366	A332-I336 VanDerWaalsContact O-CD1 3.31Å; A332-I336 WeakPolarHBondContact O-CD1 3.18Å; A332-I336 WeakPolarHBondContact O-CG1 3.37Å; A332-I336 PolarHBondContact O-N 3.29Å; E333-I336 PolarHBondContact O-N 2.85Å; I336-K338 PolarHBondContact O-N 3.3Å; I336-I339 PolarHBondContact O-N 3.3Å; I336-E360 HydrophobicContact CD1-CB 3.64Å; I336-A361 HydrophobicContact CG1-CB 3.97Å; I336-K364 HydrophobicContact CD1-CD 4.01Å; I336-K364 HydrophobicContact CG2-CD 4.18Å; I336-R366 HydrophobicContact CG2-CG 4.2Å
337	E	93.8	Very high	96.3	Very high	138 Å²	138	33.2 Å²	33.2	65%	0.645	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.4	169.8	-65	-179.6	175.8	0	0	113.2	E333 S335	E333-E337 PolarHBondContact O-N 3.3Å; S335-E337 VanDerWaalsContact C-N 3.27Å; S335-E337 PolarHBondContact O-N 3.42Å
338	K	94.3	Very high	96.3	Very high	89 Å²	89	34 Å²	34	39%	0.387	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-6.7	176.6	-60.3	-55.1	-178.3	-168.9	0	113.9	S335 I336 K412 L447 M518	S335-K338 PolarHBondContact O-N 3.01Å; I336-K338 PolarHBondContact O-N 3.3Å; K338-K412 WeakPolarHBondContact O-CD 3.43Å; K338-K412 WeakPolarHBondContact O-CE 3.3Å; K338-K412 PolarHBondContact O-NZ 3.41Å; K338-L447 HydrophobicContact CB-CD2 4.2Å; K338-L447 HydrophobicContact CG-CD2 4.43Å; K338-M518 HydrophobicContact CD-CE 4.33Å; K338-M518 HydrophobicContact CD-SD 4.36Å; K338-M518 WeakPolarHBondContact CE-SD 3.44Å; K338-M518 HydrophobicContact CG-CE 3.91Å; K338-M518 HydrophobicContact CG-SD 4.25Å
339	I	96.1	Very high	96.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	19%	0.194	C	C	.	.			trans	-90.4	119.8	174.2	-61.7	172.8	0	0	0	108.5	S335 I336 I345 I357 A361 R366 F368 F414	S335-I339 PolarHBondContact O-N 2.9Å; I336-I339 PolarHBondContact O-N 3.3Å; I339-I345 HydrophobicContact CD1-CD1 3.88Å; I339-I345 HydrophobicContact CG1-CD1 3.91Å; I339-I345 HydrophobicContact CG2-CD1 4.06Å; I339-I357 HydrophobicContact CD1-CG2 4.24Å; I339-A361 HydrophobicContact CD1-CB 3.82Å; I339-R366 HydrophobicContact CG2-CB 4.17Å; I339-R366 HydrophobicContact CG2-CG 4.3Å; I339-R366 PolarHBondContact O-NE 3.29Å; I339-F368 HydrophobicContact CG2-CD1 4.03Å; I339-F368 HydrophobicContact CG2-CG 4.38Å; I339-F414 HydrophobicContact CD1-CZ 4.38Å; I339-F414 HydrophobicContact CG1-CE2 4.32Å; I339-F414 HydrophobicContact CG1-CZ 3.98Å
340	S	95.1	Very high	96.2	Very high	60 Å²	60	32.9 Å²	32.9	42%	0.42	19%	0.191	S	C	.	.			trans	-106.2	154.8	178.9	-54.7	0	0	0	0	110.4	G342 D343	S340-G342 PolarHBondContact O-N 2.75Å; S340-D343 PolarHBondContact N-OD2 3.19Å; S340-D343 VanDerWaalsContact O-CB 3.27Å; S340-D343 WeakPolarHBondContact O-CB 3.31Å; S340-D343 PolarHBondContact O-N 3.07Å
341	D	95.6	Very high	96.1	Very high	97 Å²	97	32.8 Å²	32.8	52%	0.519	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	133.8	176.3	-65.4	-33.9	0	0	0	110.7	R366 K367	D341-R366 WeakPolarHBondContact OD1-CA 3.29Å; D341-K367 CarbonylContact C-O 3.58Å; D341-K367 WeakPolarHBondContact CA-O 3.48Å; D341-K367 HydrophobicContact CB-CB 4.25Å; D341-K367 PolarHBondContact OD1-N 3.34Å
342	G	95.4	Very high	96	Very high	64 Å²	64	35.6 Å²	35.6	66%	0.66	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	93	-5.4	-170.6	0	0	0	0	0	114.6	S340 K367	S340-G342 PolarHBondContact O-N 2.75Å; G342-K367 PolarHBondContact N-O 2.92Å
343	D	97.2	Very high	96	Very high	12 Å²	12	35.8 Å²	35.8	6%	0.064	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	141.9	-177.6	-90.2	-23.9	0	0	0	113.5	S340 I345 F368 R369 K412	S340-D343 PolarHBondContact N-OD2 3.19Å; S340-D343 VanDerWaalsContact O-CB 3.27Å; S340-D343 WeakPolarHBondContact O-CB 3.31Å; S340-D343 PolarHBondContact O-N 3.07Å; D343-I345 HydrophobicContact CB-CG1 4.23Å; D343-F368 HydrophobicContact CB-CB 4.19Å; D343-F368 VanDerWaalsContact O-CA 3.29Å; D343-F368 WeakPolarHBondContact O-CA 3.32Å; D343-F368 VanDerWaalsContact O-CB 3.29Å; D343-F368 WeakPolarHBondContact O-CB 3.38Å; D343-R369 PolarHBondContact O-N 3.01Å; D343-K412 IonicContact OD1-NZ 2.76Å; D343-K412 PolarHBondContact OD1-NZ 3.24Å; D343-K412 IonicContact OD2-NZ 2.63Å; D343-K412 PolarHBondContact OD2-NZ 2.97Å
344	V	98	Very high	96.1	Very high	13 Å²	13	31 Å²	31	8%	0.079	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	107.2	167.3	-175.6	0	0	0	0	108.2	R369 I371 E409 S411 K412	V344-R369 HydrophobicContact CB-CG 4.37Å; V344-R369 HydrophobicContact CG1-CG 4.14Å; V344-R369 HydrophobicContact CG2-CG 4.04Å; V344-I371 HydrophobicContact CG1-CD1 3.48Å; V344-I371 VanDerWaalsContact CG1-CD1 3.48Å; V344-I371 HydrophobicContact CG1-CG1 4.34Å; V344-E409 VanDerWaalsContact CB-O 3.22Å; V344-E409 WeakPolarHBondContact CB-O 3.24Å; V344-E409 WeakPolarHBondContact CG1-O 3.39Å; V344-E409 WeakPolarHBondContact CG2-O 3.45Å; V344-S411 PolarHBondContact N-OG 3.29Å; V344-S411 PolarHBondContact O-N 2.75Å; V344-K412 PolarHBondContact O-N 3.35Å
345	I	98.2	Very high	96.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.7	-174.5	-62	174.3	0	0	0	110.2	I339 D343 I347 L358 F368 R369 V370 I371 K412 F414	I339-I345 HydrophobicContact CD1-CD1 3.88Å; I339-I345 HydrophobicContact CG1-CD1 3.91Å; I339-I345 HydrophobicContact CG2-CD1 4.06Å; D343-I345 HydrophobicContact CB-CG1 4.23Å; I345-I347 HydrophobicContact CG2-CG2 4.1Å; I345-L358 HydrophobicContact CD1-CD2 3.77Å; I345-L358 HydrophobicContact CG2-CD2 4.16Å; I345-F368 HydrophobicContact CD1-CB 4.32Å; I345-F368 HydrophobicContact CD1-CD2 3.9Å; I345-F368 HydrophobicContact CD1-CG 4.12Å; I345-R369 PolarHBondContact N-O 3Å; I345-V370 CarbonylContact O-C 3.32Å; I345-V370 VanDerWaalsContact O-CA 3.26Å; I345-V370 WeakPolarHBondContact O-CA 3.41Å; I345-I371 PolarHBondContact O-N 2.88Å; I345-K412 WeakPolarHBondContact CA-O 3.39Å; I345-F414 HydrophobicContact CD1-CE2 4.46Å; I345-F414 HydrophobicContact CG2-CB 4.18Å; I345-F414 HydrophobicContact CG2-CD2 3.63Å; I345-F414 HydrophobicContact CG2-CE2 4.39Å; I345-F414 HydrophobicContact CG2-CG 4.22Å
346	L	98.4	Very high	96.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.8	170.9	-176.8	152.7	0	0	0	110.7	I371 V373 I406 L407 V410 K412 V413 F414 I435	L346-I371 CarbonylContact C-O 3.55Å; L346-I371 WeakPolarHBondContact CA-O 3.45Å; L346-I371 HydrophobicContact CD1-CG2 4.42Å; L346-I371 HydrophobicContact CG-CG2 4.47Å; L346-V373 HydrophobicContact CD1-CG2 3.71Å; L346-V373 HydrophobicContact CD2-CG2 3.85Å; L346-V373 HydrophobicContact CG-CG2 3.71Å; L346-I406 HydrophobicContact CD1-CG2 4.37Å; L346-L407 HydrophobicContact CD1-CD2 4.22Å; L346-L407 HydrophobicContact CD1-CG 4.5Å; L346-V410 HydrophobicContact CB-CB 4.48Å; L346-V410 HydrophobicContact CB-CG1 3.56Å; L346-V410 HydrophobicContact CB-CG2 3.98Å; L346-V410 HydrophobicContact CD1-CG2 3.86Å; L346-K412 PolarHBondContact N-O 3.04Å; L346-V413 HydrophobicContact CB-CG2 4.12Å; L346-V413 HydrophobicContact CD2-CG1 4.03Å; L346-V413 HydrophobicContact CD2-CG2 4.19Å; L346-F414 PolarHBondContact O-N 3.38Å; L346-I435 HydrophobicContact CD2-CG2 3.82Å
347	I	98.1	Very high	96.2	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.026	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	158.2	171.7	69.3	171	0	0	0	111.3	I345 V354 L358 V370 I371 V372 V373 A384 L388 F414	I345-I347 HydrophobicContact CG2-CG2 4.1Å; I347-V354 HydrophobicContact CB-CG1 4.3Å; I347-V354 HydrophobicContact CG2-CG1 3.56Å; I347-L358 HydrophobicContact CD1-CD1 4.26Å; I347-L358 HydrophobicContact CG2-CD1 3.87Å; I347-V370 HydrophobicContact CD1-CG1 4.05Å; I347-V370 HydrophobicContact CG1-CG1 3.96Å; I347-V370 HydrophobicContact CG2-CG1 4.26Å; I347-I371 PolarHBondContact N-O 2.79Å; I347-V372 HydrophobicContact CD1-CG1 4.39Å; I347-V372 HydrophobicContact CD1-CG2 4.06Å; I347-V372 HydrophobicContact CG1-CB 4.34Å; I347-V372 HydrophobicContact CG1-CG1 4.28Å; I347-V372 HydrophobicContact CG1-CG2 4.12Å; I347-V373 WeakPolarHBondContact O-CB 3.42Å; I347-V373 PolarHBondContact O-N 2.94Å; I347-A384 HydrophobicContact CD1-CB 4.41Å; I347-L388 HydrophobicContact CD1-CD1 3.75Å; I347-F414 HydrophobicContact CG2-CB 4.27Å
348	Y	97.6	Very high	96.4	Very high	17 Å²	17	26.6 Å²	26.6	7%	0.067	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.9	177.6	-176.3	-127.9	0	0	0	112.7	V373 S375 I400 R429 V430 I435	Y348-V373 HydrophobicContact CD2-CB 3.96Å; Y348-V373 HydrophobicContact CD2-CG1 3.84Å; Y348-V373 VanDerWaalsContact CD2-O 3.31Å; Y348-V373 WeakPolarHBondContact CD2-O 3.37Å; Y348-V373 HydrophobicContact CE2-CG1 4.2Å; Y348-S375 WeakPolarHBondContact OH-CB 3.26Å; Y348-S375 PolarHBondContact OH-OG 3.45Å; Y348-I400 HydrophobicContact CE2-CD1 4.16Å; Y348-R429 HydrophobicContact CE1-CB 4Å; Y348-V430 VanDerWaalsContact CE1-O 3.29Å; Y348-V430 WeakPolarHBondContact CE1-O 3.23Å; Y348-V430 PolarHBondContact OH-O 2.93Å; Y348-I435 HydrophobicContact CD1-CD1 3.85Å; Y348-I435 HydrophobicContact CD2-CD1 3.3Å; Y348-I435 HydrophobicContact CE1-CD1 4.32Å; Y348-I435 HydrophobicContact CE2-CD1 3.85Å; Y348-I435 HydrophobicContact CG-CD1 3.31Å
349	G	94.2	Very high	96.5	Very high	2 Å²	2	23.2 Å²	23.2	2%	0.021	15%	0.151	C	C	.	.	S	Bend	trans	62.4	-146.3	175.7	0	0	0	0	0	113.7	V373	G349-V373 PolarHBondContact N-O 3.11Å; G349-V373 VanDerWaalsContact N-O 3.16Å
350	C	94.3	Very high	96.4	Very high	31 Å²	31	24.6 Å²	24.6	21%	0.209	16%	0.158	C	C	.	.			trans	-123.8	81.4	-177.3	-162.9	0	0	0	0	113.1	E380	C350-E380 HydrophobicContact CB-CB 3.87Å; C350-E380 HydrophobicContact CB-CG 4.05Å; C350-E380 WeakPolarHBondContact CB-O 2.9Å; C350-E380 PolarHBondContact N-OE1 3.06Å
351	S	95.9	Very high	96.5	Very high	26 Å²	26	21.7 Å²	21.7	18%	0.182	14%	0.138	C	C	.	.			trans	-88.2	122.1	169.7	175.7	0	0	0	0	111.4	L353 V354 N355	S351-L353 VanDerWaalsContact C-N 3.29Å; S351-L353 PolarHBondContact O-N 3.04Å; S351-L353 PolarHBondContact OG-N 3.45Å; S351-V354 PolarHBondContact OG-N 3.05Å; S351-N355 PolarHBondContact O-N 2.83Å; S351-N355 VanDerWaalsContact O-N 3.11Å; S351-N355 PolarHBondContact O-ND2 3.42Å
352	S	95.1	Very high	96.4	Very high	59 Å²	59	20 Å²	20	41%	0.413	13%	0.128	S	C	.	.	H	α-helix	trans	-63.3	-36.1	173.8	54.1	0	0	0	0	112.3	H356	S352-H356 WeakPolarHBondContact O-CB 3.43Å; S352-H356 PolarHBondContact O-N 3.35Å
353	L	96.5	Very high	96.4	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-69.3	-45.7	-179.8	-179.1	61.5	0	0	0	111.3	A328 I331 S351 H356 I357 C449	A328-L353 HydrophobicContact CB-CD1 3.74Å; I331-L353 HydrophobicContact CB-CD1 4.34Å; I331-L353 HydrophobicContact CD1-CD2 4.16Å; I331-L353 HydrophobicContact CG2-CD1 4.14Å; I331-L353 HydrophobicContact CG2-CD2 4.17Å; I331-L353 HydrophobicContact CG2-CG 4.37Å; S351-L353 VanDerWaalsContact C-N 3.29Å; S351-L353 PolarHBondContact O-N 3.04Å; S351-L353 PolarHBondContact OG-N 3.45Å; L353-H356 WeakPolarHBondContact O-CB 3.44Å; L353-H356 PolarHBondContact O-N 3.17Å; L353-I357 HydrophobicContact CD1-CD1 4.47Å; L353-I357 HydrophobicContact CG-CD1 4.09Å; L353-I357 WeakPolarHBondContact O-CD1 3.34Å; L353-I357 VanDerWaalsContact O-CG1 3.25Å; L353-I357 WeakPolarHBondContact O-CG1 3.47Å; L353-I357 PolarHBondContact O-N 2.79Å; L353-C449 HydrophobicContact CD2-CB 3.73Å; L353-C449 HydrophobicContact CG-CB 4.17Å
354	V	97.3	Very high	96.2	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.024	14%	0.14	C	C	.	.	H	α-helix	trans	-67.6	-39	178.5	179.9	0	0	0	0	111.5	I347 S351 H356 I357 L358 F414 C449	I347-V354 HydrophobicContact CB-CG1 4.3Å; I347-V354 HydrophobicContact CG2-CG1 3.56Å; S351-V354 PolarHBondContact OG-N 3.05Å; V354-H356 VanDerWaalsContact C-N 3.31Å; V354-H356 PolarHBondContact O-N 2.9Å; V354-I357 PolarHBondContact O-N 2.89Å; V354-L358 HydrophobicContact CG1-CD1 4.15Å; V354-L358 HydrophobicContact CG1-CG 4.48Å; V354-L358 WeakPolarHBondContact O-CG 3.42Å; V354-L358 PolarHBondContact O-N 2.96Å; V354-F414 HydrophobicContact CG1-CB 4.06Å; V354-C449 HydrophobicContact CG2-CB 4.48Å
355	N	96.3	Very high	96	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.053	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-38.7	172.1	-77	-64.8	0	0	0	112.1	S351 L358 C359 L388	S351-N355 PolarHBondContact O-N 2.83Å; S351-N355 VanDerWaalsContact O-N 3.11Å; S351-N355 PolarHBondContact O-ND2 3.42Å; N355-L358 PolarHBondContact O-N 3.26Å; N355-C359 WeakPolarHBondContact O-CB 3.39Å; N355-C359 PolarHBondContact O-N 3.3Å; N355-C359 PolarHBondContact O-SG 3.29Å; N355-L388 WeakPolarHBondContact OD1-CG 3.43Å
356	H	96.4	Very high	95.8	Very high	65 Å²	65	36.7 Å²	36.7	30%	0.301	19%	0.187	S	C	.	.	H	α-helix	trans	-64.8	-46.6	176.5	-178.2	30.6	0	0	0	112	S352 L353 V354 L358 C359 E360	S352-H356 WeakPolarHBondContact O-CB 3.43Å; S352-H356 PolarHBondContact O-N 3.35Å; L353-H356 WeakPolarHBondContact O-CB 3.44Å; L353-H356 PolarHBondContact O-N 3.17Å; V354-H356 VanDerWaalsContact C-N 3.31Å; V354-H356 PolarHBondContact O-N 2.9Å; H356-L358 VanDerWaalsContact C-N 3.34Å; H356-L358 PolarHBondContact O-N 2.62Å; H356-C359 PolarHBondContact O-N 2.69Å; H356-E360 IonicContact CE1-OE1 2.75Å; H356-E360 PolarHBondContact CE1-OE1 3.19Å; H356-E360 IonicContact ND1-OE1 3Å; H356-E360 IonicContact NE2-OE1 3.17Å; H356-E360 PolarHBondContact O-N 3.5Å
357	I	97.2	Very high	95.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-53.3	-49.6	174.2	-67.6	159.4	0	0	0	111.1	I331 A332 I339 L353 V354 E360 A361 C449	I331-I357 HydrophobicContact CG2-CD1 4.15Å; A332-I357 HydrophobicContact CB-CG1 4.07Å; I339-I357 HydrophobicContact CD1-CG2 4.24Å; L353-I357 HydrophobicContact CD1-CD1 4.47Å; L353-I357 HydrophobicContact CG-CD1 4.09Å; L353-I357 WeakPolarHBondContact O-CD1 3.34Å; L353-I357 VanDerWaalsContact O-CG1 3.25Å; L353-I357 WeakPolarHBondContact O-CG1 3.47Å; L353-I357 PolarHBondContact O-N 2.79Å; V354-I357 PolarHBondContact O-N 2.89Å; I357-E360 PolarHBondContact O-N 3.05Å; I357-A361 WeakPolarHBondContact O-CB 3.28Å; I357-A361 PolarHBondContact O-N 3.43Å; I357-C449 HydrophobicContact CD1-CB 3.87Å; I357-C449 WeakPolarHBondContact CD1-SG 3.31Å
358	L	97.1	Very high	95.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.6	-37.2	-177.3	-67.1	172.9	0	0	0	112.6	I345 I347 V354 N355 H356 A361 L362 F368 V370 L388 I393	I345-L358 HydrophobicContact CD1-CD2 3.77Å; I345-L358 HydrophobicContact CG2-CD2 4.16Å; I347-L358 HydrophobicContact CD1-CD1 4.26Å; I347-L358 HydrophobicContact CG2-CD1 3.87Å; V354-L358 HydrophobicContact CG1-CD1 4.15Å; V354-L358 HydrophobicContact CG1-CG 4.48Å; V354-L358 WeakPolarHBondContact O-CG 3.42Å; V354-L358 PolarHBondContact O-N 2.96Å; N355-L358 PolarHBondContact O-N 3.26Å; H356-L358 VanDerWaalsContact C-N 3.34Å; H356-L358 PolarHBondContact O-N 2.62Å; L358-A361 PolarHBondContact O-N 2.81Å; L358-L362 PolarHBondContact O-N 2.92Å; L358-F368 HydrophobicContact CD2-CD2 4.4Å; L358-F368 HydrophobicContact CD2-CE2 3.8Å; L358-F368 HydrophobicContact CD2-CZ 4.33Å; L358-F368 WeakPolarHBondContact O-CZ 3.39Å; L358-V370 HydrophobicContact CD1-CG1 4.12Å; L358-V370 HydrophobicContact CD1-CG2 4.02Å; L358-V370 HydrophobicContact CD2-CG2 4.2Å; L358-L388 HydrophobicContact CB-CD2 3.84Å; L358-L388 HydrophobicContact CD1-CD1 4.21Å; L358-L388 HydrophobicContact CD1-CD2 4.01Å; L358-I393 HydrophobicContact CB-CD1 4.32Å
359	C	95.8	Very high	95.6	Very high	18 Å²	18	47.7 Å²	47.7	12%	0.122	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-46.4	173.5	-69.7	0	0	0	0	111.7	N355 H356 A361 L362 E363	N355-C359 WeakPolarHBondContact O-CB 3.39Å; N355-C359 PolarHBondContact O-N 3.3Å; N355-C359 PolarHBondContact O-SG 3.29Å; H356-C359 PolarHBondContact O-N 2.69Å; C359-A361 VanDerWaalsContact C-N 3.33Å; C359-A361 PolarHBondContact O-N 2.94Å; C359-L362 PolarHBondContact O-N 3.19Å; C359-E363 WeakPolarHBondContact O-CG 3.2Å; C359-E363 PolarHBondContact O-N 3.05Å
360	E	95.6	Very high	95.8	Very high	30 Å²	30	47.6 Å²	47.6	14%	0.14	23%	0.232	C	C	.	.	H	α-helix	trans	-66.9	-33.4	177	-74.3	-163.7	-179.6	0	0	112.8	A332 I336 H356 I357 L362 E363 K364	A332-E360 VanDerWaalsContact CB-OE2 3.26Å; A332-E360 WeakPolarHBondContact CB-OE2 3.5Å; I336-E360 HydrophobicContact CD1-CB 3.64Å; H356-E360 IonicContact CE1-OE1 2.75Å; H356-E360 PolarHBondContact CE1-OE1 3.19Å; H356-E360 IonicContact ND1-OE1 3Å; H356-E360 IonicContact NE2-OE1 3.17Å; H356-E360 PolarHBondContact O-N 3.5Å; I357-E360 PolarHBondContact O-N 3.05Å; E360-L362 VanDerWaalsContact C-N 3.3Å; E360-L362 PolarHBondContact O-N 3.19Å; E360-E363 PolarHBondContact O-N 3.47Å; E360-K364 WeakPolarHBondContact O-CG 3.33Å; E360-K364 PolarHBondContact O-N 3.09Å
361	A	95.9	Very high	96	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-41.7	174	0	0	0	0	0	111.5	I336 I339 I357 L358 C359 K364 N365 R366 F368	I336-A361 HydrophobicContact CG1-CB 3.97Å; I339-A361 HydrophobicContact CD1-CB 3.82Å; I357-A361 WeakPolarHBondContact O-CB 3.28Å; I357-A361 PolarHBondContact O-N 3.43Å; L358-A361 PolarHBondContact O-N 2.81Å; C359-A361 VanDerWaalsContact C-N 3.33Å; C359-A361 PolarHBondContact O-N 2.94Å; A361-K364 CarbonylContact O-C 3.6Å; A361-K364 PolarHBondContact O-N 3.41Å; A361-N365 PolarHBondContact O-N 3.39Å; A361-R366 HydrophobicContact CB-CB 4.43Å; A361-R366 HydrophobicContact CB-CG 4.47Å; A361-R366 VanDerWaalsContact O-CB 3.28Å; A361-R366 WeakPolarHBondContact O-CB 3.42Å; A361-R366 WeakPolarHBondContact O-CG 3.43Å; A361-R366 PolarHBondContact O-N 3.43Å; A361-F368 HydrophobicContact CB-CE1 3.63Å; A361-F368 HydrophobicContact CB-CZ 3.92Å
362	L	94.8	Very high	96.1	Very high	61 Å²	61	44.9 Å²	44.9	32%	0.319	21%	0.213	S	C	.	.	H	α-helix	trans	-66.8	-44	174.4	-173.8	76.7	0	0	0	111.6	L358 C359 E360 K364 N365 F368 R391 I393	L358-L362 PolarHBondContact O-N 2.92Å; C359-L362 PolarHBondContact O-N 3.19Å; E360-L362 VanDerWaalsContact C-N 3.3Å; E360-L362 PolarHBondContact O-N 3.19Å; L362-K364 PolarHBondContact O-N 3.09Å; L362-N365 WeakPolarHBondContact O-CA 3.4Å; L362-N365 PolarHBondContact O-N 3.06Å; L362-F368 HydrophobicContact CB-CZ 4.44Å; L362-R391 HydrophobicContact CD2-CB 4.5Å; L362-R391 WeakPolarHBondContact CD2-O 3.45Å; L362-I393 HydrophobicContact CB-CD1 4.48Å; L362-I393 HydrophobicContact CB-CG1 4.38Å; L362-I393 HydrophobicContact CD1-CG1 4.44Å; L362-I393 HydrophobicContact CD2-CG1 3.8Å; L362-I393 HydrophobicContact CG-CG1 4.43Å
363	E	94.2	Very high	96.2	Very high	113 Å²	113	42 Å²	42	53%	0.528	19%	0.194	S	C	.	.	H	α-helix	trans	-62.4	-28.8	177.3	-70.3	172.6	-177	0	0	112	C359 E360 N365 R391	C359-E363 WeakPolarHBondContact O-CG 3.2Å; C359-E363 PolarHBondContact O-N 3.05Å; E360-E363 PolarHBondContact O-N 3.47Å; E363-N365 VanDerWaalsContact C-N 3.25Å; E363-N365 PolarHBondContact O-N 3.03Å; E363-R391 IonicContact OE1-CZ 2.71Å; E363-R391 IonicContact OE1-NH1 3.67Å; E363-R391 PolarHBondContact OE1-NH1 3.45Å; E363-R391 IonicContact OE1-NH2 3.58Å
364	K	93.9	Very high	96.2	Very high	102 Å²	102	41.9 Å²	41.9	44%	0.443	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	17.6	169.3	-65.5	-178.7	-173.5	168.7	0	113.9	I336 E360 A361 L362 R366	I336-K364 HydrophobicContact CD1-CD 4.01Å; I336-K364 HydrophobicContact CG2-CD 4.18Å; E360-K364 WeakPolarHBondContact O-CG 3.33Å; E360-K364 PolarHBondContact O-N 3.09Å; A361-K364 CarbonylContact O-C 3.6Å; A361-K364 PolarHBondContact O-N 3.41Å; L362-K364 PolarHBondContact O-N 3.09Å; K364-R366 VanDerWaalsContact C-N 3.31Å; K364-R366 PolarHBondContact O-N 3.04Å
365	N	93.5	Very high	96.2	Very high	136 Å²	136	42.7 Å²	42.7	73%	0.727	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	24.7	176	-63	-74.6	0	0	0	116.3	A361 L362 E363	A361-N365 PolarHBondContact O-N 3.39Å; L362-N365 WeakPolarHBondContact O-CA 3.4Å; L362-N365 PolarHBondContact O-N 3.06Å; E363-N365 VanDerWaalsContact C-N 3.25Å; E363-N365 PolarHBondContact O-N 3.03Å
366	R	93.9	Very high	96.2	Very high	88 Å²	88	47.7 Å²	47.7	33%	0.332	22%	0.217	S	C	.	.			trans	-68.8	138.1	171.6	-64.3	-60.1	-162.4	-162.9	0.7	111.1	I336 I339 D341 A361 K364 F368	I336-R366 HydrophobicContact CG2-CG 4.2Å; I339-R366 HydrophobicContact CG2-CB 4.17Å; I339-R366 HydrophobicContact CG2-CG 4.3Å; I339-R366 PolarHBondContact O-NE 3.29Å; D341-R366 WeakPolarHBondContact OD1-CA 3.29Å; A361-R366 HydrophobicContact CB-CB 4.43Å; A361-R366 HydrophobicContact CB-CG 4.47Å; A361-R366 VanDerWaalsContact O-CB 3.28Å; A361-R366 WeakPolarHBondContact O-CB 3.42Å; A361-R366 WeakPolarHBondContact O-CG 3.43Å; A361-R366 PolarHBondContact O-N 3.43Å; K364-R366 VanDerWaalsContact C-N 3.31Å; K364-R366 PolarHBondContact O-N 3.04Å; R366-F368 HydrophobicContact CB-CD1 3.78Å; R366-F368 HydrophobicContact CB-CE1 3.93Å; R366-F368 WeakPolarHBondContact O-CD1 3.14Å
367	K	95.1	Very high	96	Very high	156 Å²	156	45.9 Å²	45.9	68%	0.678	21%	0.211	S	C	*	.			trans	-100.9	103.7	178.9	-64.1	178.5	-176.7	174.6	0	110.5	D341 G342	D341-K367 CarbonylContact C-O 3.58Å; D341-K367 WeakPolarHBondContact CA-O 3.48Å; D341-K367 HydrophobicContact CB-CB 4.25Å; D341-K367 PolarHBondContact OD1-N 3.34Å; G342-K367 PolarHBondContact N-O 2.92Å
368	F	97.3	Very high	95.7	Very high	25 Å²	25	49.7 Å²	49.7	11%	0.11	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	166.1	179.7	59.4	-85.3	0	0	0	111	I339 D343 I345 L358 A361 L362 R366 V370 I393	I339-F368 HydrophobicContact CG2-CD1 4.03Å; I339-F368 HydrophobicContact CG2-CG 4.38Å; D343-F368 HydrophobicContact CB-CB 4.19Å; D343-F368 VanDerWaalsContact O-CA 3.29Å; D343-F368 WeakPolarHBondContact O-CA 3.32Å; D343-F368 VanDerWaalsContact O-CB 3.29Å; D343-F368 WeakPolarHBondContact O-CB 3.38Å; I345-F368 HydrophobicContact CD1-CB 4.32Å; I345-F368 HydrophobicContact CD1-CD2 3.9Å; I345-F368 HydrophobicContact CD1-CG 4.12Å; L358-F368 HydrophobicContact CD2-CD2 4.4Å; L358-F368 HydrophobicContact CD2-CE2 3.8Å; L358-F368 HydrophobicContact CD2-CZ 4.33Å; L358-F368 WeakPolarHBondContact O-CZ 3.39Å; A361-F368 HydrophobicContact CB-CE1 3.63Å; A361-F368 HydrophobicContact CB-CZ 3.92Å; L362-F368 HydrophobicContact CB-CZ 4.44Å; R366-F368 HydrophobicContact CB-CD1 3.78Å; R366-F368 HydrophobicContact CB-CE1 3.93Å; R366-F368 WeakPolarHBondContact O-CD1 3.14Å; F368-V370 HydrophobicContact CD2-CG2 3.8Å; F368-V370 HydrophobicContact CE2-CG2 3.67Å; F368-I393 HydrophobicContact CE2-CG2 3.96Å; F368-I393 HydrophobicContact CZ-CD1 4.44Å
369	R	97.3	Very high	95.6	Very high	72 Å²	72	51.5 Å²	51.5	27%	0.272	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	153.9	166.9	66.6	170.2	177.6	123	-3.5	110.8	D343 V344 I345 E409	D343-R369 PolarHBondContact O-N 3.01Å; V344-R369 HydrophobicContact CB-CG 4.37Å; V344-R369 HydrophobicContact CG1-CG 4.14Å; V344-R369 HydrophobicContact CG2-CG 4.04Å; I345-R369 PolarHBondContact N-O 3Å; R369-E409 IonicContact CZ-OE2 2.62Å; R369-E409 IonicContact NH1-OE2 3.53Å; R369-E409 PolarHBondContact NH1-OE2 2.78Å; R369-E409 IonicContact NH2-OE2 3.39Å; R369-E409 PolarHBondContact NH2-OE2 3.36Å
370	V	98.1	Very high	95.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.8	-176.4	-176.4	0	0	0	0	111.3	I345 I347 L358 F368 V372 L388 I393 S394 C395 T396	I345-V370 CarbonylContact O-C 3.32Å; I345-V370 VanDerWaalsContact O-CA 3.26Å; I345-V370 WeakPolarHBondContact O-CA 3.41Å; I347-V370 HydrophobicContact CD1-CG1 4.05Å; I347-V370 HydrophobicContact CG1-CG1 3.96Å; I347-V370 HydrophobicContact CG2-CG1 4.26Å; L358-V370 HydrophobicContact CD1-CG1 4.12Å; L358-V370 HydrophobicContact CD1-CG2 4.02Å; L358-V370 HydrophobicContact CD2-CG2 4.2Å; F368-V370 HydrophobicContact CD2-CG2 3.8Å; F368-V370 HydrophobicContact CE2-CG2 3.67Å; V370-V372 HydrophobicContact CG1-CG2 4.11Å; V370-L388 HydrophobicContact CG1-CD1 4.07Å; V370-I393 HydrophobicContact CB-CG2 4.35Å; V370-I393 HydrophobicContact CG2-CG2 3.65Å; V370-S394 PolarHBondContact N-O 2.85Å; V370-C395 CarbonylContact O-C 3.43Å; V370-C395 VanDerWaalsContact O-CA 3.24Å; V370-C395 WeakPolarHBondContact O-CA 3.43Å; V370-T396 PolarHBondContact O-N 3.11Å
371	I	98.3	Very high	95.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115	167.6	-66.7	154.6	0	0	0	107.8	V344 I345 L346 I347 V373 T396 V398 I406 V410	V344-I371 HydrophobicContact CG1-CD1 3.48Å; V344-I371 VanDerWaalsContact CG1-CD1 3.48Å; V344-I371 HydrophobicContact CG1-CG1 4.34Å; I345-I371 PolarHBondContact O-N 2.88Å; L346-I371 CarbonylContact C-O 3.55Å; L346-I371 WeakPolarHBondContact CA-O 3.45Å; L346-I371 HydrophobicContact CD1-CG2 4.42Å; L346-I371 HydrophobicContact CG-CG2 4.47Å; I347-I371 PolarHBondContact N-O 2.79Å; I371-V373 HydrophobicContact CG2-CG2 4.34Å; I371-T396 CarbonylContact C-O 3.48Å; I371-T396 WeakPolarHBondContact CA-O 3.41Å; I371-V398 HydrophobicContact CG2-CG2 3.84Å; I371-I406 HydrophobicContact CD1-CD1 4.34Å; I371-I406 HydrophobicContact CD1-CG1 3.56Å; I371-I406 HydrophobicContact CG1-CG1 4.24Å; I371-I406 HydrophobicContact CG2-CG1 4.24Å; I371-I406 HydrophobicContact CG2-CG2 4.24Å; I371-V410 HydrophobicContact CD1-CG2 3.68Å
372	V	98.2	Very high	95.4	Very high	0 Å²	0	58 Å²	58	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	108.6	176.8	-171.8	0	0	0	0	108.5	I347 V370 L385 L388 T396 Y397 V398	I347-V372 HydrophobicContact CD1-CG1 4.39Å; I347-V372 HydrophobicContact CD1-CG2 4.06Å; I347-V372 HydrophobicContact CG1-CB 4.34Å; I347-V372 HydrophobicContact CG1-CG1 4.28Å; I347-V372 HydrophobicContact CG1-CG2 4.12Å; V370-V372 HydrophobicContact CG1-CG2 4.11Å; V372-L385 HydrophobicContact CG1-CB 4.49Å; V372-L385 HydrophobicContact CG2-CB 4.37Å; V372-L385 HydrophobicContact CG2-CD1 3.96Å; V372-L388 HydrophobicContact CG2-CD1 4.2Å; V372-T396 PolarHBondContact N-O 3.26Å; V372-Y397 HydrophobicContact CB-CD2 4.4Å; V372-Y397 HydrophobicContact CG1-CD2 4.36Å; V372-Y397 WeakPolarHBondContact O-CA 3.27Å; V372-V398 PolarHBondContact O-N 3.48Å
373	V	98	Very high	95.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	132.4	171.7	-176	0	0	0	0	109.2	L346 I347 Y348 G349 I371 V398 I400 V403 I435	L346-V373 HydrophobicContact CD1-CG2 3.71Å; L346-V373 HydrophobicContact CD2-CG2 3.85Å; L346-V373 HydrophobicContact CG-CG2 3.71Å; I347-V373 WeakPolarHBondContact O-CB 3.42Å; I347-V373 PolarHBondContact O-N 2.94Å; Y348-V373 HydrophobicContact CD2-CB 3.96Å; Y348-V373 HydrophobicContact CD2-CG1 3.84Å; Y348-V373 VanDerWaalsContact CD2-O 3.31Å; Y348-V373 WeakPolarHBondContact CD2-O 3.37Å; Y348-V373 HydrophobicContact CE2-CG1 4.2Å; G349-V373 PolarHBondContact N-O 3.11Å; G349-V373 VanDerWaalsContact N-O 3.16Å; I371-V373 HydrophobicContact CG2-CG2 4.34Å; V373-V398 CarbonylContact C-O 3.56Å; V373-V398 WeakPolarHBondContact CA-O 3.45Å; V373-V398 HydrophobicContact CB-CG2 4.39Å; V373-V398 HydrophobicContact CG2-CG2 3.81Å; V373-I400 HydrophobicContact CG1-CB 4.1Å; V373-I400 HydrophobicContact CG1-CG1 4.43Å; V373-V403 HydrophobicContact CB-CG2 4.45Å; V373-V403 HydrophobicContact CG1-CG2 3.57Å; V373-V403 HydrophobicContact CG2-CG2 3.96Å; V373-I435 HydrophobicContact CB-CD1 4.29Å; V373-I435 HydrophobicContact CG1-CD1 3.87Å
374	D	97.3	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	161.7	179.8	-154.2	0.1	0	0	0	112.8	L379 E380 G381 R382 Y397 V398 L399 I400	D374-L379 VanDerWaalsContact OD1-C 3.28Å; D374-L379 VanDerWaalsContact OD1-CA 3.31Å; D374-L379 WeakPolarHBondContact OD1-CA 3.37Å; D374-L379 VanDerWaalsContact OD2-CA 3.28Å; D374-L379 WeakPolarHBondContact OD2-CA 3.38Å; D374-E380 PolarHBondContact OD1-N 3.14Å; D374-G381 VanDerWaalsContact CG-CA 3.43Å; D374-G381 PolarHBondContact OD1-N 3.45Å; D374-G381 WeakPolarHBondContact OD2-CA 3.47Å; D374-G381 PolarHBondContact OD2-N 2.64Å; D374-G381 VanDerWaalsContact OD2-N 3.08Å; D374-R382 PolarHBondContact OD2-N 2.98Å; D374-Y397 HydrophobicContact CB-CE2 3.55Å; D374-Y397 WeakPolarHBondContact OD2-CE2 3.26Å; D374-Y397 PolarHBondContact OD2-OH 3.29Å; D374-V398 PolarHBondContact N-O 3.47Å; D374-L399 HydrophobicContact CB-CD2 4.44Å; D374-L399 CarbonylContact O-C 3.52Å; D374-L399 WeakPolarHBondContact O-CA 3.34Å; D374-I400 PolarHBondContact O-N 3.04Å
375	S	96.5	Very high	95.6	Very high	21 Å²	21	49.9 Å²	49.9	15%	0.147	22%	0.22	C	C	.	.			trans	-142.5	153.6	-176.2	64.8	0	0	0	0	113.5	Y348 L379	Y348-S375 WeakPolarHBondContact OH-CB 3.26Å; Y348-S375 PolarHBondContact OH-OG 3.45Å; S375-L379 WeakPolarHBondContact O-CA 3.42Å; S375-L379 WeakPolarHBondContact O-CD2 3.07Å; S375-L379 PolarHBondContact O-N 3.01Å; S375-L379 VanDerWaalsContact O-N 3.11Å
376	R	95.4	Very high	95.8	Very high	115 Å²	115	49 Å²	49	43%	0.434	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	153.6	172.9	-74.9	-168.8	64.6	-135.6	-11.5	110.5	L379 L475	R376-L379 HydrophobicContact CG-CD2 4.4Å; R376-L475 PolarHBondContact NH2-O 3.48Å
377	P	93.2	Very high	95.9	Very high	26 Å²	26	49.2 Å²	49.2	17%	0.169	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.9	-28.2	1.5	31	-30.3	0	0	0	114.9	L379 D474 L475 N498	P377-L379 VanDerWaalsContact C-N 3.35Å; P377-L379 PolarHBondContact O-N 3.43Å; P377-D474 HydrophobicContact CB-CB 3.87Å; P377-D474 WeakPolarHBondContact CB-O 3.46Å; P377-D474 HydrophobicContact CG-CB 3.65Å; P377-L475 HydrophobicContact CB-CD2 4.31Å; P377-L475 HydrophobicContact CG-CD2 4.07Å; P377-N498 VanDerWaalsContact CG-ND2 3.29Å; P377-N498 WeakPolarHBondContact CG-ND2 3.12Å
378	R	90.4	Very high	95.9	Very high	81 Å²	81	41.8 Å²	41.8	31%	0.306	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-24	-170.2	-70.3	-174.9	-179	-121.2	10.9	115.1	E380 D470	R378-E380 VanDerWaalsContact C-N 3.34Å; R378-E380 PolarHBondContact O-N 3.47Å; R378-D470 IonicContact CZ-OD1 2.69Å; R378-D470 IonicContact CZ-OD2 2.75Å; R378-D470 IonicContact NE-OD2 3.57Å; R378-D470 PolarHBondContact NE-OD2 3.1Å; R378-D470 VanDerWaalsContact NH2-CG 3.29Å; R378-D470 IonicContact NH2-OD1 2.93Å; R378-D470 PolarHBondContact NH2-OD1 3.02Å; R378-D470 IonicContact NH2-OD2 3.49Å; R378-D470 PolarHBondContact NH2-OD2 3.45Å
379	L	94.6	Very high	95.9	Very high	37 Å²	37	44.5 Å²	44.5	19%	0.194	19%	0.193	C	C	.	.			trans	51.1	51	-179.2	-61	165.3	0	0	0	112.3	D374 S375 R376 P377 G381 R382 L399	D374-L379 VanDerWaalsContact OD1-C 3.28Å; D374-L379 VanDerWaalsContact OD1-CA 3.31Å; D374-L379 WeakPolarHBondContact OD1-CA 3.37Å; D374-L379 VanDerWaalsContact OD2-CA 3.28Å; D374-L379 WeakPolarHBondContact OD2-CA 3.38Å; S375-L379 WeakPolarHBondContact O-CA 3.42Å; S375-L379 WeakPolarHBondContact O-CD2 3.07Å; S375-L379 PolarHBondContact O-N 3.01Å; S375-L379 VanDerWaalsContact O-N 3.11Å; R376-L379 HydrophobicContact CG-CD2 4.4Å; P377-L379 VanDerWaalsContact C-N 3.35Å; P377-L379 PolarHBondContact O-N 3.43Å; L379-G381 VanDerWaalsContact C-N 3.29Å; L379-G381 PolarHBondContact O-N 2.75Å; L379-R382 HydrophobicContact CB-CG 4.3Å; L379-R382 WeakPolarHBondContact O-CB 3.43Å; L379-R382 PolarHBondContact O-N 3.3Å; L379-L399 HydrophobicContact CD2-CD2 4.03Å
380	E	93.5	Very high	95.8	Very high	36 Å²	36	47.8 Å²	47.8	17%	0.168	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.1	-174.6	61.2	169.8	-138.2	0	0	113.1	C350 D374 R378 R382 E383 R429	C350-E380 HydrophobicContact CB-CB 3.87Å; C350-E380 HydrophobicContact CB-CG 4.05Å; C350-E380 WeakPolarHBondContact CB-O 2.9Å; C350-E380 PolarHBondContact N-OE1 3.06Å; D374-E380 PolarHBondContact OD1-N 3.14Å; R378-E380 VanDerWaalsContact C-N 3.34Å; R378-E380 PolarHBondContact O-N 3.47Å; E380-R382 PolarHBondContact O-N 3.17Å; E380-E383 PolarHBondContact O-N 3.34Å; E380-E383 VanDerWaalsContact O-N 3.11Å; E380-R429 IonicContact OE1-NE 2.67Å; E380-R429 PolarHBondContact OE1-NE 3.47Å; E380-R429 VanDerWaalsContact OE1-NE 3.16Å; E380-R429 IonicContact OE2-CZ 3.56Å; E380-R429 VanDerWaalsContact OE2-CZ 3.23Å; E380-R429 IonicContact OE2-NE 2.97Å; E380-R429 PolarHBondContact OE2-NE 2.95Å; E380-R429 IonicContact OE2-NH2 3.11Å; E380-R429 PolarHBondContact OE2-NH2 3.47Å
381	G	94.9	Very high	95.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.5	-28	173.5	0	0	0	0	0	113.2	D374 L379 E383 A384 L385	D374-G381 VanDerWaalsContact CG-CA 3.43Å; D374-G381 PolarHBondContact OD1-N 3.45Å; D374-G381 WeakPolarHBondContact OD2-CA 3.47Å; D374-G381 PolarHBondContact OD2-N 2.64Å; D374-G381 VanDerWaalsContact OD2-N 3.08Å; L379-G381 VanDerWaalsContact C-N 3.29Å; L379-G381 PolarHBondContact O-N 2.75Å; G381-E383 VanDerWaalsContact C-N 3.27Å; G381-E383 PolarHBondContact O-N 3.12Å; G381-A384 WeakPolarHBondContact O-CB 3.32Å; G381-A384 PolarHBondContact O-N 2.53Å; G381-A384 VanDerWaalsContact O-N 3.13Å; G381-L385 WeakPolarHBondContact O-CB 3.43Å; G381-L385 PolarHBondContact O-N 3.22Å
382	R	95.9	Very high	95.5	Very high	149 Å²	149	57.4 Å²	57.4	56%	0.562	27%	0.267	S	S	*	.	H	α-helix	trans	-55	-38.8	171.9	-66.4	178.3	172.1	-166.7	-6.4	113.6	D374 L379 E380 R386 Y397	D374-R382 PolarHBondContact OD2-N 2.98Å; L379-R382 HydrophobicContact CB-CG 4.3Å; L379-R382 WeakPolarHBondContact O-CB 3.43Å; L379-R382 PolarHBondContact O-N 3.3Å; E380-R382 PolarHBondContact O-N 3.17Å; R382-R386 WeakPolarHBondContact O-CB 3.14Å; R382-R386 PolarHBondContact O-N 2.89Å; R382-Y397 HydrophobicContact CG-CE2 3.91Å
383	E	94.8	Very high	95.4	Very high	65 Å²	65	57.8 Å²	57.8	30%	0.304	27%	0.27	S	S	.	.	H	α-helix	trans	-78.2	-28.3	179.7	174.1	58.6	-168	0	0	111.9	E380 G381 R386 R387	E380-E383 PolarHBondContact O-N 3.34Å; E380-E383 VanDerWaalsContact O-N 3.11Å; G381-E383 VanDerWaalsContact C-N 3.27Å; G381-E383 PolarHBondContact O-N 3.12Å; E383-R386 IonicContact OE1-CZ 2.73Å; E383-R386 IonicContact OE1-NE 3.98Å; E383-R386 IonicContact OE1-NH2 3.75Å; E383-R386 PolarHBondContact OE1-NH2 2.91Å; E383-R386 IonicContact OE2-CZ 3.04Å; E383-R386 IonicContact OE2-NE 3.31Å; E383-R386 PolarHBondContact OE2-NE 3.12Å; E383-R386 IonicContact OE2-NH2 2.75Å; E383-R386 PolarHBondContact OE2-NH2 2.94Å; E383-R387 VanDerWaalsContact CG-NH2 3.27Å; E383-R387 WeakPolarHBondContact O-CD 3.25Å; E383-R387 VanDerWaalsContact O-CG 3.28Å; E383-R387 WeakPolarHBondContact O-CG 3.45Å; E383-R387 PolarHBondContact O-N 3.18Å; E383-R387 IonicContact OE1-CZ 2.86Å; E383-R387 IonicContact OE1-NE 2.79Å; E383-R387 PolarHBondContact OE1-NE 3.36Å; E383-R387 IonicContact OE1-NH2 3.19Å; E383-R387 PolarHBondContact OE1-NH2 3.27Å
384	A	95.1	Very high	95.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.5	-50.9	168.1	0	0	0	0	0	110.6	I347 G381 R386 R387 L388	I347-A384 HydrophobicContact CD1-CB 4.41Å; G381-A384 WeakPolarHBondContact O-CB 3.32Å; G381-A384 PolarHBondContact O-N 2.53Å; G381-A384 VanDerWaalsContact O-N 3.13Å; A384-R386 VanDerWaalsContact C-N 3.33Å; A384-R386 PolarHBondContact O-N 3.32Å; A384-R387 PolarHBondContact O-N 3.27Å; A384-R387 VanDerWaalsContact O-N 3.08Å; A384-L388 WeakPolarHBondContact O-CG 3.49Å; A384-L388 PolarHBondContact O-N 3.35Å
385	L	96.9	Very high	95.3	Very high	40 Å²	40	63.2 Å²	63.2	21%	0.209	31%	0.307	C	S	.	.	H	α-helix	trans	-51.8	-49.6	175.5	-178.2	72.4	0	0	0	111.8	V372 G381 R387 L388 V389 C395 Y397	V372-L385 HydrophobicContact CG1-CB 4.49Å; V372-L385 HydrophobicContact CG2-CB 4.37Å; V372-L385 HydrophobicContact CG2-CD1 3.96Å; G381-L385 WeakPolarHBondContact O-CB 3.43Å; G381-L385 PolarHBondContact O-N 3.22Å; L385-R387 VanDerWaalsContact C-N 3.28Å; L385-R387 PolarHBondContact O-N 3.3Å; L385-L388 PolarHBondContact O-N 3Å; L385-V389 HydrophobicContact CD1-CG2 4.02Å; L385-V389 HydrophobicContact CG-CG2 4.24Å; L385-V389 WeakPolarHBondContact O-CB 3.4Å; L385-V389 WeakPolarHBondContact O-CG2 3.45Å; L385-V389 PolarHBondContact O-N 3.29Å; L385-C395 HydrophobicContact CD1-CB 3.43Å; L385-C395 VanDerWaalsContact CD1-CB 3.43Å; L385-Y397 HydrophobicContact CD2-CD2 3.85Å; L385-Y397 HydrophobicContact CD2-CG 4.03Å
386	R	96.8	Very high	95.3	Very high	118 Å²	118	64.7 Å²	64.7	45%	0.445	32%	0.315	S	S	.	.	H	α-helix	trans	-55.6	-41.7	178.8	-167.9	-165.1	63.2	68.5	1.3	112.3	R382 E383 A384 Q390	R382-R386 WeakPolarHBondContact O-CB 3.14Å; R382-R386 PolarHBondContact O-N 2.89Å; E383-R386 IonicContact OE1-CZ 2.73Å; E383-R386 IonicContact OE1-NE 3.98Å; E383-R386 IonicContact OE1-NH2 3.75Å; E383-R386 PolarHBondContact OE1-NH2 2.91Å; E383-R386 IonicContact OE2-CZ 3.04Å; E383-R386 IonicContact OE2-NE 3.31Å; E383-R386 PolarHBondContact OE2-NE 3.12Å; E383-R386 IonicContact OE2-NH2 2.75Å; E383-R386 PolarHBondContact OE2-NH2 2.94Å; A384-R386 VanDerWaalsContact C-N 3.33Å; A384-R386 PolarHBondContact O-N 3.32Å; R386-Q390 VanDerWaalsContact O-CB 3.23Å; R386-Q390 WeakPolarHBondContact O-CB 3.22Å; R386-Q390 PolarHBondContact O-N 2.93Å; R386-Q390 VanDerWaalsContact O-N 3.12Å
387	R	95.6	Very high	95.5	Very high	92 Å²	92	62.7 Å²	62.7	35%	0.347	31%	0.308	S	S	.	.	H	α-helix	trans	-71	-41.9	-180	-68.6	168.1	-171.4	168.2	2.2	112.6	E383 A384 L385 R391	E383-R387 VanDerWaalsContact CG-NH2 3.27Å; E383-R387 WeakPolarHBondContact O-CD 3.25Å; E383-R387 VanDerWaalsContact O-CG 3.28Å; E383-R387 WeakPolarHBondContact O-CG 3.45Å; E383-R387 PolarHBondContact O-N 3.18Å; E383-R387 IonicContact OE1-CZ 2.86Å; E383-R387 IonicContact OE1-NE 2.79Å; E383-R387 PolarHBondContact OE1-NE 3.36Å; E383-R387 IonicContact OE1-NH2 3.19Å; E383-R387 PolarHBondContact OE1-NH2 3.27Å; A384-R387 PolarHBondContact O-N 3.27Å; A384-R387 VanDerWaalsContact O-N 3.08Å; L385-R387 VanDerWaalsContact C-N 3.28Å; L385-R387 PolarHBondContact O-N 3.3Å; R387-R391 PolarHBondContact O-N 3.08Å
388	L	96.3	Very high	95.6	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.8	-45.1	-179.7	-63.2	170.4	0	0	0	111.4	I347 N355 L358 V370 V372 A384 L385 Q390 R391 G392 I393	I347-L388 HydrophobicContact CD1-CD1 3.75Å; N355-L388 WeakPolarHBondContact OD1-CG 3.43Å; L358-L388 HydrophobicContact CB-CD2 3.84Å; L358-L388 HydrophobicContact CD1-CD1 4.21Å; L358-L388 HydrophobicContact CD1-CD2 4.01Å; V370-L388 HydrophobicContact CG1-CD1 4.07Å; V372-L388 HydrophobicContact CG2-CD1 4.2Å; A384-L388 WeakPolarHBondContact O-CG 3.49Å; A384-L388 PolarHBondContact O-N 3.35Å; L385-L388 PolarHBondContact O-N 3Å; L388-Q390 VanDerWaalsContact C-N 3.33Å; L388-Q390 PolarHBondContact O-N 3.28Å; L388-R391 PolarHBondContact O-N 2.94Å; L388-G392 PolarHBondContact O-N 2.92Å; L388-I393 HydrophobicContact CB-CB 4.3Å; L388-I393 HydrophobicContact CB-CD1 4.32Å; L388-I393 HydrophobicContact CD2-CD1 3.67Å; L388-I393 PolarHBondContact O-N 3.42Å; L388-I393 VanDerWaalsContact O-N 3.17Å
389	V	96.7	Very high	96	Very high	82 Å²	82	62.3 Å²	62.3	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-63.7	-38.5	176.2	173.3	0	0	0	0	111.2	L385 R391 G392 C395	L385-V389 HydrophobicContact CD1-CG2 4.02Å; L385-V389 HydrophobicContact CG-CG2 4.24Å; L385-V389 WeakPolarHBondContact O-CB 3.4Å; L385-V389 WeakPolarHBondContact O-CG2 3.45Å; L385-V389 PolarHBondContact O-N 3.29Å; V389-R391 PolarHBondContact O-N 3.22Å; V389-G392 PolarHBondContact O-N 2.9Å; V389-C395 HydrophobicContact CG2-CB 4.01Å
390	Q	96.1	Very high	96.1	Very high	142 Å²	142	62.3 Å²	62.3	66%	0.664	31%	0.311	S	S	*	.	H	α-helix	trans	-62.4	-20.3	174.5	-174.3	172.8	14.1	0	0	113.3	R386 L388	R386-Q390 VanDerWaalsContact O-CB 3.23Å; R386-Q390 WeakPolarHBondContact O-CB 3.22Å; R386-Q390 PolarHBondContact O-N 2.93Å; R386-Q390 VanDerWaalsContact O-N 3.12Å; L388-Q390 VanDerWaalsContact C-N 3.33Å; L388-Q390 PolarHBondContact O-N 3.28Å
391	R	94.9	Very high	96.2	Very high	138 Å²	138	65.4 Å²	65.4	52%	0.521	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	0.5	172.7	-67.6	-58	-163	115.4	3.8	113.9	L362 E363 R387 L388 V389	L362-R391 HydrophobicContact CD2-CB 4.5Å; L362-R391 WeakPolarHBondContact CD2-O 3.45Å; E363-R391 IonicContact OE1-CZ 2.71Å; E363-R391 IonicContact OE1-NH1 3.67Å; E363-R391 PolarHBondContact OE1-NH1 3.45Å; E363-R391 IonicContact OE1-NH2 3.58Å; R387-R391 PolarHBondContact O-N 3.08Å; L388-R391 PolarHBondContact O-N 2.94Å; V389-R391 PolarHBondContact O-N 3.22Å
392	G	94.3	Very high	96.2	Very high	63 Å²	63	66.9 Å²	66.9	65%	0.649	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	13	179.5	0	0	0	0	0	115	L388 V389	L388-G392 PolarHBondContact O-N 2.92Å; V389-G392 PolarHBondContact O-N 2.9Å
393	I	95.7	Very high	96.2	Very high	9 Å²	9	60 Å²	60	5%	0.046	32%	0.324	C	S	.	.			trans	-74.9	131.2	177.2	-59.1	174.2	0	0	0	109.3	L358 L362 F368 V370 L388 C395	L358-I393 HydrophobicContact CB-CD1 4.32Å; L362-I393 HydrophobicContact CB-CD1 4.48Å; L362-I393 HydrophobicContact CB-CG1 4.38Å; L362-I393 HydrophobicContact CD1-CG1 4.44Å; L362-I393 HydrophobicContact CD2-CG1 3.8Å; L362-I393 HydrophobicContact CG-CG1 4.43Å; F368-I393 HydrophobicContact CE2-CG2 3.96Å; F368-I393 HydrophobicContact CZ-CD1 4.44Å; V370-I393 HydrophobicContact CB-CG2 4.35Å; V370-I393 HydrophobicContact CG2-CG2 3.65Å; L388-I393 HydrophobicContact CB-CB 4.3Å; L388-I393 HydrophobicContact CB-CD1 4.32Å; L388-I393 HydrophobicContact CD2-CD1 3.67Å; L388-I393 PolarHBondContact O-N 3.42Å; L388-I393 VanDerWaalsContact O-N 3.17Å; I393-C395 PolarHBondContact O-N 3.03Å; I393-C395 PolarHBondContact O-SG 3.19Å; I393-C395 VanDerWaalsContact O-SG 3.38Å
394	S	96.4	Very high	96.3	Very high	80 Å²	80	60.3 Å²	60.3	56%	0.559	33%	0.333	S	S	*	.			trans	-66.7	116.8	173.1	-175.3	0	0	0	0	109.9	V370	V370-S394 PolarHBondContact N-O 2.85Å
395	C	97.3	Very high	96.3	Very high	33 Å²	33	69.3 Å²	69.3	22%	0.223	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.8	-174	-66.5	0	0	0	0	113	V370 L385 V389 I393	V370-C395 CarbonylContact O-C 3.43Å; V370-C395 VanDerWaalsContact O-CA 3.24Å; V370-C395 WeakPolarHBondContact O-CA 3.43Å; L385-C395 HydrophobicContact CD1-CB 3.43Å; L385-C395 VanDerWaalsContact CD1-CB 3.43Å; V389-C395 HydrophobicContact CG2-CB 4.01Å; I393-C395 PolarHBondContact O-N 3.03Å; I393-C395 PolarHBondContact O-SG 3.19Å; I393-C395 VanDerWaalsContact O-SG 3.38Å
396	T	97.5	Very high	96.3	Very high	53 Å²	53	68 Å²	68	33%	0.325	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.2	167.1	-50.3	0	0	0	0	108.5	V370 I371 V372 V398	V370-T396 PolarHBondContact O-N 3.11Å; I371-T396 CarbonylContact C-O 3.48Å; I371-T396 WeakPolarHBondContact CA-O 3.41Å; V372-T396 PolarHBondContact N-O 3.26Å; T396-V398 HydrophobicContact CG2-CG1 4.32Å
397	Y	97.9	Very high	96.2	Very high	72 Å²	72	62.4 Å²	62.4	28%	0.282	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.8	178.9	175.3	-89.1	0	0	0	110.6	V372 D374 R382 L385 L399	V372-Y397 HydrophobicContact CB-CD2 4.4Å; V372-Y397 HydrophobicContact CG1-CD2 4.36Å; V372-Y397 WeakPolarHBondContact O-CA 3.27Å; D374-Y397 HydrophobicContact CB-CE2 3.55Å; D374-Y397 WeakPolarHBondContact OD2-CE2 3.26Å; D374-Y397 PolarHBondContact OD2-OH 3.29Å; R382-Y397 HydrophobicContact CG-CE2 3.91Å; L385-Y397 HydrophobicContact CD2-CD2 3.85Å; L385-Y397 HydrophobicContact CD2-CG 4.03Å; Y397-L399 HydrophobicContact CE1-CD2 4.45Å
398	V	97.3	Very high	96.2	Very high	23 Å²	23	62.2 Å²	62.2	14%	0.139	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.7	-179	-60.2	0	0	0	0	110.9	I371 V372 V373 D374 T396 A402 I406	I371-V398 HydrophobicContact CG2-CG2 3.84Å; V372-V398 PolarHBondContact O-N 3.48Å; V373-V398 CarbonylContact C-O 3.56Å; V373-V398 WeakPolarHBondContact CA-O 3.45Å; V373-V398 HydrophobicContact CB-CG2 4.39Å; V373-V398 HydrophobicContact CG2-CG2 3.81Å; D374-V398 PolarHBondContact N-O 3.47Å; T396-V398 HydrophobicContact CG2-CG1 4.32Å; V398-A402 HydrophobicContact CB-CB 4.36Å; V398-I406 HydrophobicContact CG2-CG2 4.47Å
399	L	97.3	Very high	96.2	Very high	76 Å²	76	66.6 Å²	66.6	40%	0.398	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	156.4	169.7	-63.3	179.9	0	0	0	110.7	D374 L379 Y397 S401 A402	D374-L399 HydrophobicContact CB-CD2 4.44Å; D374-L399 CarbonylContact O-C 3.52Å; D374-L399 WeakPolarHBondContact O-CA 3.34Å; L379-L399 HydrophobicContact CD2-CD2 4.03Å; Y397-L399 HydrophobicContact CE1-CD2 4.45Å; L399-S401 PolarHBondContact O-N 3.35Å; L399-A402 PolarHBondContact O-N 3.12Å
400	I	96.4	Very high	96.3	Very high	37 Å²	37	63.1 Å²	63.1	19%	0.19	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-52.7	-27	179	-165.1	165.6	0	0	0	114.1	Y348 V373 D374 A402 V403 Q434 I435	Y348-I400 HydrophobicContact CE2-CD1 4.16Å; V373-I400 HydrophobicContact CG1-CB 4.1Å; V373-I400 HydrophobicContact CG1-CG1 4.43Å; D374-I400 PolarHBondContact O-N 3.04Å; I400-A402 PolarHBondContact O-N 3.42Å; I400-V403 HydrophobicContact CG1-CG2 4.25Å; I400-V403 WeakPolarHBondContact O-CB 3.16Å; I400-V403 VanDerWaalsContact O-CG2 3.27Å; I400-V403 WeakPolarHBondContact O-CG2 3.31Å; I400-V403 PolarHBondContact O-N 2.83Å; I400-Q434 VanDerWaalsContact CD1-OE1 3.3Å; I400-I435 HydrophobicContact CD1-CD1 4.27Å; I400-I435 HydrophobicContact CD1-CG1 4.31Å; I400-I435 HydrophobicContact CG1-CD1 4.43Å; I400-I435 HydrophobicContact CG1-CG1 4.33Å
401	S	96.1	Very high	96.3	Very high	101 Å²	101	58.6 Å²	58.6	71%	0.706	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-66.7	-17.6	174.7	56.4	0	0	0	0	114.9	L399	L399-S401 PolarHBondContact O-N 3.35Å
402	A	95.6	Very high	96.5	Very high	32 Å²	32	53.7 Å²	53.7	26%	0.264	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-101.6	5.7	178.9	0	0	0	0	0	113.3	V398 L399 I400 S404 Y405 I406	V398-A402 HydrophobicContact CB-CB 4.36Å; L399-A402 PolarHBondContact O-N 3.12Å; I400-A402 PolarHBondContact O-N 3.42Å; A402-S404 VanDerWaalsContact C-N 3.34Å; A402-S404 PolarHBondContact O-N 3.04Å; A402-Y405 WeakPolarHBondContact O-CB 3.47Å; A402-Y405 PolarHBondContact O-N 3.47Å; A402-Y405 VanDerWaalsContact O-N 3.08Å; A402-I406 PolarHBondContact O-N 2.87Å
403	V	95.8	Very high	96.7	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.03	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-40.7	-176.8	165.6	0	0	0	0	112.4	V373 I400 Y405 I406 L407 I435 V438	V373-V403 HydrophobicContact CB-CG2 4.45Å; V373-V403 HydrophobicContact CG1-CG2 3.57Å; V373-V403 HydrophobicContact CG2-CG2 3.96Å; I400-V403 HydrophobicContact CG1-CG2 4.25Å; I400-V403 WeakPolarHBondContact O-CB 3.16Å; I400-V403 VanDerWaalsContact O-CG2 3.27Å; I400-V403 WeakPolarHBondContact O-CG2 3.31Å; I400-V403 PolarHBondContact O-N 2.83Å; V403-Y405 VanDerWaalsContact C-N 3.27Å; V403-Y405 PolarHBondContact O-N 3.48Å; V403-I406 PolarHBondContact O-N 2.94Å; V403-L407 HydrophobicContact CG1-CD1 3.44Å; V403-L407 VanDerWaalsContact CG1-CD1 3.44Å; V403-L407 HydrophobicContact CG1-CG 4.02Å; V403-L407 WeakPolarHBondContact O-CB 3.37Å; V403-L407 VanDerWaalsContact O-CG 3.3Å; V403-L407 WeakPolarHBondContact O-CG 3.48Å; V403-L407 PolarHBondContact O-N 3.24Å; V403-I435 HydrophobicContact CG1-CG1 4.34Å; V403-I435 HydrophobicContact CG2-CG1 4.16Å; V403-V438 HydrophobicContact CG1-CB 4.4Å; V403-V438 HydrophobicContact CG1-CG1 4.44Å
404	S	95.6	Very high	96.8	Very high	70 Å²	70	50.3 Å²	50.3	49%	0.49	28%	0.284	S	S	.	.	H	α-helix	trans	-67	-24.7	176.6	53.3	0	0	0	0	114.1	A402	A402-S404 VanDerWaalsContact C-N 3.34Å; A402-S404 PolarHBondContact O-N 3.04Å
405	Y	95.8	Very high	96.9	Very high	190 Å²	190	46.8 Å²	46.8	75%	0.745	26%	0.258	S	S	*	.	H	α-helix	trans	-79.5	-38.5	177.3	177.4	-93.2	0	0	0	111.7	A402 V403 P408	A402-Y405 WeakPolarHBondContact O-CB 3.47Å; A402-Y405 PolarHBondContact O-N 3.47Å; A402-Y405 VanDerWaalsContact O-N 3.08Å; V403-Y405 VanDerWaalsContact C-N 3.27Å; V403-Y405 PolarHBondContact O-N 3.48Å; Y405-P408 WeakPolarHBondContact O-CD 3.28Å
406	I	96.3	Very high	96.8	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.062	25%	0.253	C	S	.	.	H	α-helix	trans	-90.7	-25.3	-174.4	-157.1	68.4	0	0	0	113.7	L346 I371 V398 A402 V403 P408 E409	L346-I406 HydrophobicContact CD1-CG2 4.37Å; I371-I406 HydrophobicContact CD1-CD1 4.34Å; I371-I406 HydrophobicContact CD1-CG1 3.56Å; I371-I406 HydrophobicContact CG1-CG1 4.24Å; I371-I406 HydrophobicContact CG2-CG1 4.24Å; I371-I406 HydrophobicContact CG2-CG2 4.24Å; V398-I406 HydrophobicContact CG2-CG2 4.47Å; A402-I406 PolarHBondContact O-N 2.87Å; V403-I406 PolarHBondContact O-N 2.94Å; I406-P408 VanDerWaalsContact C-N 3.33Å; I406-E409 HydrophobicContact CD1-CG 4.48Å; I406-E409 WeakPolarHBondContact O-CB 3.21Å; I406-E409 PolarHBondContact O-N 2.74Å
407	L	95.4	Very high	96.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-54.5	-33.8	-178.6	-91.2	168.5	0	0	0	115.8	L346 V403 E409 V410 V413 V438 A439 F442 V444	L346-L407 HydrophobicContact CD1-CD2 4.22Å; L346-L407 HydrophobicContact CD1-CG 4.5Å; V403-L407 HydrophobicContact CG1-CD1 3.44Å; V403-L407 VanDerWaalsContact CG1-CD1 3.44Å; V403-L407 HydrophobicContact CG1-CG 4.02Å; V403-L407 WeakPolarHBondContact O-CB 3.37Å; V403-L407 VanDerWaalsContact O-CG 3.3Å; V403-L407 WeakPolarHBondContact O-CG 3.48Å; V403-L407 PolarHBondContact O-N 3.24Å; L407-E409 PolarHBondContact O-N 2.77Å; L407-E409 VanDerWaalsContact O-N 3.16Å; L407-V410 HydrophobicContact CD2-CB 4.1Å; L407-V410 HydrophobicContact CD2-CG1 4.37Å; L407-V410 HydrophobicContact CD2-CG2 4.24Å; L407-V410 WeakPolarHBondContact O-CB 3.3Å; L407-V410 PolarHBondContact O-N 3.03Å; L407-V413 HydrophobicContact CD2-CG2 4.21Å; L407-V438 HydrophobicContact CD1-CB 3.84Å; L407-V438 HydrophobicContact CD1-CG1 3.47Å; L407-V438 VanDerWaalsContact CD1-CG1 3.47Å; L407-A439 HydrophobicContact CD1-CB 4.43Å; L407-A439 HydrophobicContact CD2-CB 4.05Å; L407-F442 HydrophobicContact CB-CB 4.42Å; L407-F442 HydrophobicContact CB-CD2 3.82Å; L407-F442 HydrophobicContact CB-CE2 4.32Å; L407-F442 HydrophobicContact CB-CG 4.16Å; L407-F442 HydrophobicContact CD1-CD2 4.01Å; L407-V444 HydrophobicContact CD2-CB 4.29Å; L407-V444 HydrophobicContact CD2-CG1 4.41Å; L407-V444 HydrophobicContact CD2-CG2 4.12Å
408	P	96.1	Very high	96.7	Very high	89 Å²	89	40.6 Å²	40.6	58%	0.578	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-57.8	-22.6	172	-27.7	36.4	0	0	0	115	Y405 I406 F442	Y405-P408 WeakPolarHBondContact O-CD 3.28Å; I406-P408 VanDerWaalsContact C-N 3.33Å; P408-F442 HydrophobicContact CG-CD1 4.06Å; P408-F442 HydrophobicContact CG-CE1 3.77Å; P408-F442 HydrophobicContact CG-CZ 4.36Å
409	E	96	Very high	96.6	Very high	92 Å²	92	39.5 Å²	39.5	43%	0.43	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-89	-13.8	173.5	-57.7	-171.3	174.6	0	0	113.7	V344 R369 I406 L407	V344-E409 VanDerWaalsContact CB-O 3.22Å; V344-E409 WeakPolarHBondContact CB-O 3.24Å; V344-E409 WeakPolarHBondContact CG1-O 3.39Å; V344-E409 WeakPolarHBondContact CG2-O 3.45Å; R369-E409 IonicContact CZ-OE2 2.62Å; R369-E409 IonicContact NH1-OE2 3.53Å; R369-E409 PolarHBondContact NH1-OE2 2.78Å; R369-E409 IonicContact NH2-OE2 3.39Å; R369-E409 PolarHBondContact NH2-OE2 3.36Å; I406-E409 HydrophobicContact CD1-CG 4.48Å; I406-E409 WeakPolarHBondContact O-CB 3.21Å; I406-E409 PolarHBondContact O-N 2.74Å; L407-E409 PolarHBondContact O-N 2.77Å; L407-E409 VanDerWaalsContact O-N 3.16Å
410	V	97.9	Very high	96.6	Very high	9 Å²	9	35.9 Å²	35.9	6%	0.055	20%	0.203	C	C	.	.			trans	-85.1	127.8	-170	178.3	0	0	0	0	110.4	L346 I371 L407 K412 V413 V444	L346-V410 HydrophobicContact CB-CB 4.48Å; L346-V410 HydrophobicContact CB-CG1 3.56Å; L346-V410 HydrophobicContact CB-CG2 3.98Å; L346-V410 HydrophobicContact CD1-CG2 3.86Å; I371-V410 HydrophobicContact CD1-CG2 3.68Å; L407-V410 HydrophobicContact CD2-CB 4.1Å; L407-V410 HydrophobicContact CD2-CG1 4.37Å; L407-V410 HydrophobicContact CD2-CG2 4.24Å; L407-V410 WeakPolarHBondContact O-CB 3.3Å; L407-V410 PolarHBondContact O-N 3.03Å; V410-K412 WeakPolarHBondContact CG1-O 3.43Å; V410-V413 HydrophobicContact CG1-CG2 4.11Å; V410-V444 HydrophobicContact CB-CG1 4.32Å; V410-V444 HydrophobicContact CG1-CG1 3.79Å; V410-V444 WeakPolarHBondContact O-CG2 3.44Å
411	S	97.6	Very high	96.5	Very high	46 Å²	46	34.1 Å²	34.1	32%	0.322	19%	0.194	S	C	.	.	S	Bend	trans	-86.7	-37.8	177.5	-39	0	0	0	0	112.2	V344 P445	V344-S411 PolarHBondContact N-OG 3.29Å; V344-S411 PolarHBondContact O-N 2.75Å; S411-P445 WeakPolarHBondContact O-CD 3.33Å
412	K	97.8	Very high	96.5	Very high	36 Å²	36	30.5 Å²	30.5	16%	0.157	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	142.2	-175.3	-58.5	-171.9	177.3	84.8	0	111.5	K338 D343 V344 I345 L346 V410 F414 P445 L447	K338-K412 WeakPolarHBondContact O-CD 3.43Å; K338-K412 WeakPolarHBondContact O-CE 3.3Å; K338-K412 PolarHBondContact O-NZ 3.41Å; D343-K412 IonicContact OD1-NZ 2.76Å; D343-K412 PolarHBondContact OD1-NZ 3.24Å; D343-K412 IonicContact OD2-NZ 2.63Å; D343-K412 PolarHBondContact OD2-NZ 2.97Å; V344-K412 PolarHBondContact O-N 3.35Å; I345-K412 WeakPolarHBondContact CA-O 3.39Å; L346-K412 PolarHBondContact N-O 3.04Å; V410-K412 WeakPolarHBondContact CG1-O 3.43Å; K412-F414 HydrophobicContact CB-CD2 4.32Å; K412-F414 HydrophobicContact CB-CE2 4.06Å; K412-F414 HydrophobicContact CD-CE2 4.39Å; K412-P445 HydrophobicContact CG-CG 4.32Å; K412-L447 HydrophobicContact CB-CD1 4.22Å
413	V	98.3	Very high	96.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.9	175.5	172.2	0	0	0	0	109.5	L346 L407 V410 L415 I435 A439 V444 P445 V446 L447	L346-V413 HydrophobicContact CB-CG2 4.12Å; L346-V413 HydrophobicContact CD2-CG1 4.03Å; L346-V413 HydrophobicContact CD2-CG2 4.19Å; L407-V413 HydrophobicContact CD2-CG2 4.21Å; V410-V413 HydrophobicContact CG1-CG2 4.11Å; V413-L415 HydrophobicContact CG1-CD1 3.97Å; V413-L415 HydrophobicContact CG1-CD2 3.99Å; V413-L415 HydrophobicContact CG1-CG 3.77Å; V413-I435 HydrophobicContact CG1-CG2 4.19Å; V413-A439 HydrophobicContact CG2-CB 3.95Å; V413-V444 HydrophobicContact CG2-CG1 3.76Å; V413-P445 PolarHBondContact N-O 2.75Å; V413-V446 HydrophobicContact CB-CG2 4.27Å; V413-V446 HydrophobicContact CG1-CG1 4.38Å; V413-V446 HydrophobicContact CG1-CG2 4.39Å; V413-L447 PolarHBondContact O-N 2.93Å
414	F	98.2	Very high	96.3	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.8	177.2	-84.2	-101.4	0	0	0	111	I339 I345 L346 I347 V354 K412 L447 I513	I339-F414 HydrophobicContact CD1-CZ 4.38Å; I339-F414 HydrophobicContact CG1-CE2 4.32Å; I339-F414 HydrophobicContact CG1-CZ 3.98Å; I345-F414 HydrophobicContact CD1-CE2 4.46Å; I345-F414 HydrophobicContact CG2-CB 4.18Å; I345-F414 HydrophobicContact CG2-CD2 3.63Å; I345-F414 HydrophobicContact CG2-CE2 4.39Å; I345-F414 HydrophobicContact CG2-CG 4.22Å; L346-F414 PolarHBondContact O-N 3.38Å; I347-F414 HydrophobicContact CG2-CB 4.27Å; V354-F414 HydrophobicContact CG1-CB 4.06Å; K412-F414 HydrophobicContact CB-CD2 4.32Å; K412-F414 HydrophobicContact CB-CE2 4.06Å; K412-F414 HydrophobicContact CD-CE2 4.39Å; F414-L447 WeakPolarHBondContact CA-O 3.48Å; F414-L447 HydrophobicContact CD1-CB 4.39Å; F414-L447 HydrophobicContact CE1-CB 4.39Å; F414-L447 HydrophobicContact CE1-CD2 4.36Å; F414-L447 HydrophobicContact CE2-CD1 4.35Å; F414-L447 HydrophobicContact CE2-CD2 4.46Å; F414-L447 HydrophobicContact CZ-CD2 4.02Å; F414-I513 HydrophobicContact CE1-CD1 4.44Å
415	L	97.9	Very high	96.4	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.7	-176.6	-58.7	170.8	0	0	0	110.5	V413 T432 V446 L447 V448 C449	V413-L415 HydrophobicContact CG1-CD1 3.97Å; V413-L415 HydrophobicContact CG1-CD2 3.99Å; V413-L415 HydrophobicContact CG1-CG 3.77Å; L415-T432 HydrophobicContact CB-CG2 4.47Å; L415-T432 HydrophobicContact CD1-CG2 3.77Å; L415-T432 HydrophobicContact CD2-CG2 4.49Å; L415-T432 HydrophobicContact CG-CG2 4.45Å; L415-V446 HydrophobicContact CD1-CG1 3.56Å; L415-V446 HydrophobicContact CG-CG1 4.46Å; L415-L447 PolarHBondContact N-O 2.63Å; L415-V448 HydrophobicContact CB-CG2 4.16Å; L415-V448 CarbonylContact O-C 3.6Å; L415-V448 WeakPolarHBondContact O-CA 3.43Å; L415-C449 PolarHBondContact O-N 3.5Å
416	G	96.5	Very high	96.5	Very high	10 Å²	10	20.7 Å²	20.7	10%	0.103	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.8	168.8	0	0	0	0	0	110.5	S428	G416-S428 PolarHBondContact O-OG 3.19Å
417	A	96.2	Very high	96.5	Very high	6 Å²	6	20.8 Å²	20.8	5%	0.05	12%	0.118	C	C	.	.			trans	-83.1	144.6	171.7	0	0	0	0	0	112.1	L420 V426 V448 C449 C450 K454	A417-L420 HydrophobicContact CB-CD2 4.06Å; A417-L420 HydrophobicContact CB-CG 4.38Å; A417-V426 HydrophobicContact CB-CG1 3.99Å; A417-V448 HydrophobicContact CB-CG1 3.77Å; A417-C449 PolarHBondContact N-O 2.98Å; A417-C450 HydrophobicContact CB-CB 3.82Å; A417-K454 PolarHBondContact O-NZ 3.29Å
418	H	95.9	Very high	96.6	Very high	12 Å²	12	21.3 Å²	21.3	6%	0.056	12%	0.121	C	C	.	.	S	Bend	trans	-80.9	-40	164	-172.5	89.8	0	0	0	111	S234 S282 M427 Y501	S234-H418 PolarHBondContact OG-O 2.96Å; S282-H418 VanDerWaalsContact CB-CE1 3.42Å; S282-H418 WeakPolarHBondContact CB-CE1 3.41Å; S282-H418 WeakPolarHBondContact CB-NE2 3.47Å; H418-M427 WeakPolarHBondContact CA-O 3.35Å; H418-M427 VanDerWaalsContact CB-O 3.32Å; H418-M427 WeakPolarHBondContact CB-O 3.35Å; H418-M427 VanDerWaalsContact CD2-CE 3.5Å; H418-M427 WeakPolarHBondContact CD2-CE 3.44Å; H418-M427 PolarHBondContact N-O 3.12Å; H418-Y501 HydrophobicContact CB-CD1 4.15Å; H418-Y501 HydrophobicContact CB-CE1 3.91Å; H418-Y501 AromaticContact CE1-CE1 3.87Å; H418-Y501 AromaticContact CE1-CZ 3.56Å; H418-Y501 PolarHBondContact CE1-OH 3.28Å; H418-Y501 AromaticContact CG-CE1 3.5Å; H418-Y501 VanDerWaalsContact CG-CE1 3.5Å; H418-Y501 AromaticContact CG-CZ 3.93Å; H418-Y501 AromaticContact ND1-CE1 3.37Å; H418-Y501 WeakPolarHBondContact ND1-CE1 3.48Å; H418-Y501 AromaticContact ND1-CZ 3.57Å; H418-Y501 PolarHBondContact ND1-OH 3.15Å; H418-Y501 AromaticContact NE2-CZ 3.93Å
419	A	96.3	Very high	96.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	156	172.2	0	0	0	0	0	111.4	A283 M427 K454	A283-A419 HydrophobicContact CB-CB 3.83Å; A419-M427 HydrophobicContact CB-CB 4.35Å; A419-M427 HydrophobicContact CB-CE 4.01Å; A419-M427 PolarHBondContact N-O 2.87Å; A419-M427 PolarHBondContact O-N 2.99Å; A419-K454 WeakPolarHBondContact CA-O 3.46Å; A419-K454 WeakPolarHBondContact CB-O 3.37Å
420	L	96.4	Very high	96.6	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.2	166.9	-67.1	-171.6	0	0	0	110.4	A417 V426 V448 C450 K454 F455 C456 V512 V524	A417-L420 HydrophobicContact CB-CD2 4.06Å; A417-L420 HydrophobicContact CB-CG 4.38Å; L420-V426 HydrophobicContact CD2-CB 3.84Å; L420-V426 HydrophobicContact CD2-CG1 3.73Å; L420-V426 HydrophobicContact CD2-CG2 3.59Å; L420-V448 HydrophobicContact CD2-CG1 4.34Å; L420-C450 HydrophobicContact CD1-CB 3.95Å; L420-C450 HydrophobicContact CG-CB 4.13Å; L420-K454 PolarHBondContact N-O 3.12Å; L420-F455 HydrophobicContact CB-CD1 3.9Å; L420-F455 HydrophobicContact CB-CE1 4.08Å; L420-F455 HydrophobicContact CD1-CD1 4.3Å; L420-F455 HydrophobicContact CD1-CE1 3.61Å; L420-F455 HydrophobicContact CD1-CZ 3.98Å; L420-F455 HydrophobicContact CG-CD1 4.37Å; L420-F455 HydrophobicContact CG-CE1 4.12Å; L420-F455 CarbonylContact O-C 3.51Å; L420-F455 WeakPolarHBondContact O-CA 3.25Å; L420-C456 WeakPolarHBondContact O-CB 3.37Å; L420-C456 PolarHBondContact O-N 3.45Å; L420-V512 HydrophobicContact CD1-CB 4.31Å; L420-V512 HydrophobicContact CD1-CG1 3.41Å; L420-V512 VanDerWaalsContact CD1-CG1 3.41Å; L420-V512 HydrophobicContact CD1-CG2 3.9Å; L420-V524 HydrophobicContact CB-CG1 4.4Å; L420-V524 HydrophobicContact CB-CG2 3.93Å; L420-V524 HydrophobicContact CD1-CG2 3.99Å
421	L	95.9	Very high	96.5	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	155.8	-172.4	-60.2	160.8	0	0	0	110.9	N423 G424 Y425 M427 C456 R458 Q460 V503 V524	L421-N423 WeakPolarHBondContact CB-OD1 3.48Å; L421-N423 PolarHBondContact O-N 3.38Å; L421-N423 VanDerWaalsContact O-N 3.08Å; L421-G424 WeakPolarHBondContact O-CA 3.31Å; L421-G424 PolarHBondContact O-N 2.95Å; L421-Y425 WeakPolarHBondContact CB-O 3.21Å; L421-Y425 PolarHBondContact N-O 3.06Å; L421-M427 HydrophobicContact CD1-CB 4.44Å; L421-C456 HydrophobicContact CD2-CB 4.1Å; L421-R458 VanDerWaalsContact CD2-O 3.28Å; L421-R458 WeakPolarHBondContact CD2-O 3.5Å; L421-Q460 HydrophobicContact CD1-CG 3.39Å; L421-Q460 HydrophobicContact CD2-CG 4.06Å; L421-Q460 HydrophobicContact CG-CG 4.37Å; L421-V503 HydrophobicContact CD1-CG1 4.43Å; L421-V524 WeakPolarHBondContact O-CG1 3.44Å
422	A	94.4	Very high	96.5	Very high	24 Å²	24	14.9 Å²	14.9	20%	0.198	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.8	-175.1	0	0	0	0	0	114.6	G424 C456 R458 V459 P525	A422-G424 VanDerWaalsContact C-N 3.33Å; A422-C456 WeakPolarHBondContact CB-O 3.25Å; A422-C456 PolarHBondContact N-O 3.03Å; A422-R458 PolarHBondContact N-O 2.94Å; A422-V459 HydrophobicContact CB-CG2 3.98Å; A422-P525 WeakPolarHBondContact O-CD 3.41Å; A422-P525 WeakPolarHBondContact O-CG 3.18Å
423	N	94.3	Very high	96.4	Very high	44 Å²	44	14.7 Å²	14.7	24%	0.235	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	8.6	170.5	62.7	-24	0	0	0	113.4	L421 Y425 V459 Q460	L421-N423 WeakPolarHBondContact CB-OD1 3.48Å; L421-N423 PolarHBondContact O-N 3.38Å; L421-N423 VanDerWaalsContact O-N 3.08Å; N423-Y425 VanDerWaalsContact C-N 3.27Å; N423-Y425 HydrophobicContact CB-CD2 4.32Å; N423-Y425 VanDerWaalsContact CG-CD2 3.49Å; N423-Y425 WeakPolarHBondContact ND2-CD2 3.5Å; N423-Y425 PolarHBondContact O-N 3.17Å; N423-Y425 PolarHBondContact OD1-N 2.71Å; N423-V459 HydrophobicContact CB-CG1 4.01Å; N423-V459 HydrophobicContact CB-CG2 4.25Å; N423-Q460 PolarHBondContact ND2-O 3.3Å; N423-Q460 VanDerWaalsContact ND2-O 3.08Å
424	G	94.4	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	77	2.9	-176.7	0	0	0	0	0	115.2	L421 A422 C521	L421-G424 WeakPolarHBondContact O-CA 3.31Å; L421-G424 PolarHBondContact O-N 2.95Å; A422-G424 VanDerWaalsContact C-N 3.33Å; G424-C521 WeakPolarHBondContact CA-O 3.22Å; G424-C521 WeakPolarHBondContact O-CB 3.28Å
425	Y	96.8	Very high	96.3	Very high	47 Å²	47	19.5 Å²	19.5	18%	0.184	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-69.3	137	176.2	-83.4	-129.9	0	0	0	110.4	L421 N423 T461 V503 T504 P505 P506	L421-Y425 WeakPolarHBondContact CB-O 3.21Å; L421-Y425 PolarHBondContact N-O 3.06Å; N423-Y425 VanDerWaalsContact C-N 3.27Å; N423-Y425 HydrophobicContact CB-CD2 4.32Å; N423-Y425 VanDerWaalsContact CG-CD2 3.49Å; N423-Y425 WeakPolarHBondContact ND2-CD2 3.5Å; N423-Y425 PolarHBondContact O-N 3.17Å; N423-Y425 PolarHBondContact OD1-N 2.71Å; Y425-T461 WeakPolarHBondContact CE1-O 3.5Å; Y425-V503 HydrophobicContact CD1-CB 4.07Å; Y425-V503 HydrophobicContact CD1-CG2 3.87Å; Y425-V503 HydrophobicContact CE1-CG2 4.29Å; Y425-T504 WeakPolarHBondContact CA-O 3.46Å; Y425-P505 HydrophobicContact CE1-CB 4.26Å; Y425-P505 HydrophobicContact CE1-CG 4.03Å; Y425-P505 HydrophobicContact CE2-CB 4.49Å; Y425-P506 HydrophobicContact CD2-CG 4.34Å; Y425-P506 HydrophobicContact CE2-CG 4.3Å
426	V	97.4	Very high	96.3	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.7	178.6	-175.6	0	0	0	0	109.2	A417 L420 V448 V503 T504 V509	A417-V426 HydrophobicContact CB-CG1 3.99Å; L420-V426 HydrophobicContact CD2-CB 3.84Å; L420-V426 HydrophobicContact CD2-CG1 3.73Å; L420-V426 HydrophobicContact CD2-CG2 3.59Å; V426-V448 HydrophobicContact CG1-CG1 3.85Å; V426-V448 HydrophobicContact CG1-CG2 4.22Å; V426-V448 HydrophobicContact CG2-CG1 4.42Å; V426-V448 HydrophobicContact CG2-CG2 4.31Å; V426-V503 CarbonylContact O-C 3.52Å; V426-V503 WeakPolarHBondContact O-CA 3.23Å; V426-T504 PolarHBondContact N-O 2.99Å; V426-T504 PolarHBondContact O-N 3.44Å; V426-V509 HydrophobicContact CG2-CB 4.36Å; V426-V509 HydrophobicContact CG2-CG1 4.26Å; V426-V509 HydrophobicContact CG2-CG2 3.84Å
427	M	97	Very high	96.4	Very high	14 Å²	14	23 Å²	23	7%	0.069	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.6	172.1	-166	-179.9	82.9	0	0	109.2	H418 A419 L421 Q460 D502 V503	H418-M427 WeakPolarHBondContact CA-O 3.35Å; H418-M427 VanDerWaalsContact CB-O 3.32Å; H418-M427 WeakPolarHBondContact CB-O 3.35Å; H418-M427 VanDerWaalsContact CD2-CE 3.5Å; H418-M427 WeakPolarHBondContact CD2-CE 3.44Å; H418-M427 PolarHBondContact N-O 3.12Å; A419-M427 HydrophobicContact CB-CB 4.35Å; A419-M427 HydrophobicContact CB-CE 4.01Å; A419-M427 PolarHBondContact N-O 2.87Å; A419-M427 PolarHBondContact O-N 2.99Å; L421-M427 HydrophobicContact CD1-CB 4.44Å; M427-Q460 PolarHBondContact SD-NE2 2.78Å; M427-D502 WeakPolarHBondContact CA-O 3.48Å; M427-V503 HydrophobicContact CG-CG1 4.42Å
428	S	96.8	Very high	96.4	Very high	10 Å²	10	24.4 Å²	24.4	7%	0.07	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	-167.2	174.5	-160.3	0	0	0	0	111.2	G416 T432 Y501 D502	G416-S428 PolarHBondContact O-OG 3.19Å; S428-T432 WeakPolarHBondContact CB-OG1 3.29Å; S428-Y501 CarbonylContact O-C 3.56Å; S428-Y501 WeakPolarHBondContact O-CA 3.3Å; S428-Y501 WeakPolarHBondContact O-CB 3.4Å; S428-Y501 WeakPolarHBondContact O-CD1 3.45Å; S428-D502 PolarHBondContact N-O 3.03Å; S428-D502 PolarHBondContact O-N 3.35Å
429	R	96.1	Very high	96.5	Very high	38 Å²	38	23.9 Å²	23.9	14%	0.143	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	140.1	-177.6	-69.1	-58.4	-158.2	-168.9	9.4	111.1	Y348 E380 G431 T432 V500 D502	Y348-R429 HydrophobicContact CE1-CB 4Å; E380-R429 IonicContact OE1-NE 2.67Å; E380-R429 PolarHBondContact OE1-NE 3.47Å; E380-R429 VanDerWaalsContact OE1-NE 3.16Å; E380-R429 IonicContact OE2-CZ 3.56Å; E380-R429 VanDerWaalsContact OE2-CZ 3.23Å; E380-R429 IonicContact OE2-NE 2.97Å; E380-R429 PolarHBondContact OE2-NE 2.95Å; E380-R429 IonicContact OE2-NH2 3.11Å; E380-R429 PolarHBondContact OE2-NH2 3.47Å; R429-G431 PolarHBondContact O-N 2.97Å; R429-T432 PolarHBondContact N-OG1 3.47Å; R429-T432 VanDerWaalsContact O-CB 3.31Å; R429-T432 WeakPolarHBondContact O-CB 3.22Å; R429-T432 PolarHBondContact O-N 3.06Å; R429-T432 PolarHBondContact O-OG1 3.21Å; R429-V500 WeakPolarHBondContact CA-O 3.48Å; R429-D502 VanDerWaalsContact O-OD1 3.13Å
430	V	96.1	Very high	96.6	Very high	55 Å²	55	27.5 Å²	27.5	33%	0.333	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	129.5	172.7	67.5	0	0	0	0	110.7	Y348 L499 V500	Y348-V430 VanDerWaalsContact CE1-O 3.29Å; Y348-V430 WeakPolarHBondContact CE1-O 3.23Å; Y348-V430 PolarHBondContact OH-O 2.93Å; V430-L499 WeakPolarHBondContact CG1-O 3.4Å; V430-L499 HydrophobicContact CG2-CB 4.45Å; V430-V500 PolarHBondContact N-O 2.89Å; V430-V500 VanDerWaalsContact N-O 3.14Å
431	G	95.8	Very high	96.6	Very high	6 Å²	6	31.1 Å²	31.1	6%	0.062	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.7	-10.7	-173.6	0	0	0	0	0	114.8	R429 S433 Q434 I435 D502	R429-G431 PolarHBondContact O-N 2.97Å; G431-S433 VanDerWaalsContact C-N 3.32Å; G431-Q434 PolarHBondContact O-N 3.42Å; G431-I435 WeakPolarHBondContact O-CG1 3.49Å; G431-I435 PolarHBondContact O-N 3.02Å; G431-D502 PolarHBondContact N-OD2 3.24Å
432	T	97.3	Very high	96.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-43.6	172.7	-56.7	0	0	0	0	110	L415 S428 R429 Q434 I435 A436 D502	L415-T432 HydrophobicContact CB-CG2 4.47Å; L415-T432 HydrophobicContact CD1-CG2 3.77Å; L415-T432 HydrophobicContact CD2-CG2 4.49Å; L415-T432 HydrophobicContact CG-CG2 4.45Å; S428-T432 WeakPolarHBondContact CB-OG1 3.29Å; R429-T432 PolarHBondContact N-OG1 3.47Å; R429-T432 VanDerWaalsContact O-CB 3.31Å; R429-T432 WeakPolarHBondContact O-CB 3.22Å; R429-T432 PolarHBondContact O-N 3.06Å; R429-T432 PolarHBondContact O-OG1 3.21Å; T432-Q434 VanDerWaalsContact C-N 3.33Å; T432-Q434 PolarHBondContact O-N 3.05Å; T432-I435 PolarHBondContact O-N 2.97Å; T432-A436 WeakPolarHBondContact O-CB 3.48Å; T432-A436 PolarHBondContact O-N 3.27Å; T432-D502 WeakPolarHBondContact CB-OD1 3.04Å; T432-D502 PolarHBondContact N-OD2 3.49Å; T432-D502 VanDerWaalsContact N-OD2 3.13Å
433	S	96.9	Very high	96.8	Very high	33 Å²	33	41.3 Å²	41.3	23%	0.231	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-38.3	177.2	62.9	0	0	0	0	112.5	G431 L437 D502 T504	G431-S433 VanDerWaalsContact C-N 3.32Å; S433-L437 WeakPolarHBondContact O-CB 3.37Å; S433-L437 PolarHBondContact O-N 2.99Å; S433-D502 VanDerWaalsContact CB-OD2 3.31Å; S433-D502 WeakPolarHBondContact CB-OD2 3.44Å; S433-D502 PolarHBondContact N-OD2 3.38Å; S433-D502 PolarHBondContact OG-OD2 2.88Å; S433-T504 VanDerWaalsContact CA-OG1 3.27Å; S433-T504 WeakPolarHBondContact CA-OG1 3.47Å; S433-T504 PolarHBondContact N-OG1 3.31Å
434	Q	96.9	Very high	96.9	Very high	102 Å²	102	39.7 Å²	39.7	48%	0.477	21%	0.213	S	C	.	.	H	α-helix	trans	-65.2	-46	176	-173.5	178.9	20	0	0	111.5	I400 G431 T432 L437 V438	I400-Q434 VanDerWaalsContact CD1-OE1 3.3Å; G431-Q434 PolarHBondContact O-N 3.42Å; T432-Q434 VanDerWaalsContact C-N 3.33Å; T432-Q434 PolarHBondContact O-N 3.05Å; Q434-L437 PolarHBondContact O-N 2.97Å; Q434-V438 WeakPolarHBondContact O-CG2 3.31Å; Q434-V438 PolarHBondContact O-N 3.16Å
435	I	97.4	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-43.7	178.4	-69.7	167.7	0	0	0	110.6	L346 Y348 V373 I400 V403 V413 G431 T432 V438 A439	L346-I435 HydrophobicContact CD2-CG2 3.82Å; Y348-I435 HydrophobicContact CD1-CD1 3.85Å; Y348-I435 HydrophobicContact CD2-CD1 3.3Å; Y348-I435 HydrophobicContact CE1-CD1 4.32Å; Y348-I435 HydrophobicContact CE2-CD1 3.85Å; Y348-I435 HydrophobicContact CG-CD1 3.31Å; V373-I435 HydrophobicContact CB-CD1 4.29Å; V373-I435 HydrophobicContact CG1-CD1 3.87Å; I400-I435 HydrophobicContact CD1-CD1 4.27Å; I400-I435 HydrophobicContact CD1-CG1 4.31Å; I400-I435 HydrophobicContact CG1-CD1 4.43Å; I400-I435 HydrophobicContact CG1-CG1 4.33Å; V403-I435 HydrophobicContact CG1-CG1 4.34Å; V403-I435 HydrophobicContact CG2-CG1 4.16Å; V413-I435 HydrophobicContact CG1-CG2 4.19Å; G431-I435 WeakPolarHBondContact O-CG1 3.49Å; G431-I435 PolarHBondContact O-N 3.02Å; T432-I435 PolarHBondContact O-N 2.97Å; I435-V438 PolarHBondContact O-N 3.43Å; I435-A439 WeakPolarHBondContact O-CB 3.14Å; I435-A439 PolarHBondContact O-N 3.41Å
436	A	97.9	Very high	97.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-42.6	177.7	0	0	0	0	0	112.4	T432 A439 K440 V446 T504 F508	T432-A436 WeakPolarHBondContact O-CB 3.48Å; T432-A436 PolarHBondContact O-N 3.27Å; A436-A439 PolarHBondContact O-N 3.35Å; A436-K440 WeakPolarHBondContact O-CB 3.41Å; A436-K440 PolarHBondContact O-N 3.43Å; A436-V446 HydrophobicContact CB-CG1 4.3Å; A436-V446 HydrophobicContact CB-CG2 4.4Å; A436-T504 HydrophobicContact CB-CG2 3.62Å; A436-F508 HydrophobicContact CB-CB 3.88Å
437	L	97.4	Very high	97.2	Very high	89 Å²	89	40.3 Å²	40.3	47%	0.466	22%	0.222	S	C	.	.	H	α-helix	trans	-60.1	-49.2	175.4	173.5	64.4	0	0	0	112.1	S433 Q434 K440 A441 F508	S433-L437 WeakPolarHBondContact O-CB 3.37Å; S433-L437 PolarHBondContact O-N 2.99Å; Q434-L437 PolarHBondContact O-N 2.97Å; L437-K440 PolarHBondContact O-N 3.25Å; L437-A441 PolarHBondContact O-N 3.08Å; L437-A441 VanDerWaalsContact O-N 3.16Å; L437-F508 HydrophobicContact CB-CD2 4.36Å; L437-F508 HydrophobicContact CB-CE2 4.33Å; L437-F508 HydrophobicContact CD1-CE1 3.86Å; L437-F508 HydrophobicContact CD1-CE2 4.02Å; L437-F508 HydrophobicContact CD1-CZ 3.6Å
438	V	97.7	Very high	97.3	Very high	35 Å²	35	39.6 Å²	39.6	21%	0.212	22%	0.219	C	C	.	.	H	α-helix	trans	-70.6	-38.8	-178.8	-172.8	0	0	0	0	110.4	V403 L407 Q434 I435 K440 A441 F442	V403-V438 HydrophobicContact CG1-CB 4.4Å; V403-V438 HydrophobicContact CG1-CG1 4.44Å; L407-V438 HydrophobicContact CD1-CB 3.84Å; L407-V438 HydrophobicContact CD1-CG1 3.47Å; L407-V438 VanDerWaalsContact CD1-CG1 3.47Å; Q434-V438 WeakPolarHBondContact O-CG2 3.31Å; Q434-V438 PolarHBondContact O-N 3.16Å; I435-V438 PolarHBondContact O-N 3.43Å; V438-K440 VanDerWaalsContact C-N 3.33Å; V438-K440 PolarHBondContact O-N 3.19Å; V438-A441 WeakPolarHBondContact O-CB 3.39Å; V438-A441 PolarHBondContact O-N 3.35Å; V438-A441 VanDerWaalsContact O-N 3.12Å; V438-F442 HydrophobicContact CG1-CD2 3.89Å; V438-F442 HydrophobicContact CG1-CE2 3.74Å; V438-F442 WeakPolarHBondContact O-CD2 3.35Å; V438-F442 PolarHBondContact O-N 3.31Å; V438-F442 VanDerWaalsContact O-N 3.15Å
439	A	97.8	Very high	97.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.6	-44.3	173.7	0	0	0	0	0	111.9	L407 V413 I435 A436 A441 F442 N443 V444 V446	L407-A439 HydrophobicContact CD1-CB 4.43Å; L407-A439 HydrophobicContact CD2-CB 4.05Å; V413-A439 HydrophobicContact CG2-CB 3.95Å; I435-A439 WeakPolarHBondContact O-CB 3.14Å; I435-A439 PolarHBondContact O-N 3.41Å; A436-A439 PolarHBondContact O-N 3.35Å; A439-A441 VanDerWaalsContact C-N 3.32Å; A439-A441 PolarHBondContact O-N 3.1Å; A439-F442 CarbonylContact O-C 3.58Å; A439-F442 PolarHBondContact O-N 3.46Å; A439-F442 VanDerWaalsContact O-N 3.12Å; A439-N443 PolarHBondContact O-N 3.28Å; A439-N443 VanDerWaalsContact O-N 3.12Å; A439-V444 HydrophobicContact CB-CB 4.27Å; A439-V444 PolarHBondContact O-N 3.37Å; A439-V446 HydrophobicContact CB-CG2 3.73Å
440	K	96.9	Very high	97.3	Very high	76 Å²	76	37.3 Å²	37.3	33%	0.33	21%	0.209	S	C	.	.	H	α-helix	trans	-60	-40.3	174.9	-160.4	76.9	-179.7	-154.6	0	112.2	A436 L437 V438 F442 N443 D507 F508 D510	A436-K440 WeakPolarHBondContact O-CB 3.41Å; A436-K440 PolarHBondContact O-N 3.43Å; L437-K440 PolarHBondContact O-N 3.25Å; V438-K440 VanDerWaalsContact C-N 3.33Å; V438-K440 PolarHBondContact O-N 3.19Å; K440-F442 VanDerWaalsContact C-N 3.27Å; K440-F442 PolarHBondContact O-N 2.91Å; K440-N443 PolarHBondContact O-N 3.41Å; K440-D507 WeakPolarHBondContact CE-O 3.35Å; K440-D507 PolarHBondContact NZ-O 2.71Å; K440-F508 HydrophobicContact CB-CD1 4.34Å; K440-F508 HydrophobicContact CG-CD1 4.33Å; K440-D510 IonicContact NZ-OD1 3.39Å; K440-D510 PolarHBondContact NZ-OD1 3.37Å
441	A	97.1	Very high	97.4	Very high	77 Å²	77	34.7 Å²	34.7	64%	0.636	19%	0.193	S	C	*	.	H	α-helix	trans	-64.5	-28.9	176.9	0	0	0	0	0	113.5	L437 V438 A439	L437-A441 PolarHBondContact O-N 3.08Å; L437-A441 VanDerWaalsContact O-N 3.16Å; V438-A441 WeakPolarHBondContact O-CB 3.39Å; V438-A441 PolarHBondContact O-N 3.35Å; V438-A441 VanDerWaalsContact O-N 3.12Å; A439-A441 VanDerWaalsContact C-N 3.32Å; A439-A441 PolarHBondContact O-N 3.1Å
442	F	97.1	Very high	97.4	Very high	89 Å²	89	34.9 Å²	34.9	39%	0.39	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	7.6	172.4	-72.8	-78.5	0	0	0	113.8	L407 P408 V438 A439 K440 V444	L407-F442 HydrophobicContact CB-CB 4.42Å; L407-F442 HydrophobicContact CB-CD2 3.82Å; L407-F442 HydrophobicContact CB-CE2 4.32Å; L407-F442 HydrophobicContact CB-CG 4.16Å; L407-F442 HydrophobicContact CD1-CD2 4.01Å; P408-F442 HydrophobicContact CG-CD1 4.06Å; P408-F442 HydrophobicContact CG-CE1 3.77Å; P408-F442 HydrophobicContact CG-CZ 4.36Å; V438-F442 HydrophobicContact CG1-CD2 3.89Å; V438-F442 HydrophobicContact CG1-CE2 3.74Å; V438-F442 WeakPolarHBondContact O-CD2 3.35Å; V438-F442 PolarHBondContact O-N 3.31Å; V438-F442 VanDerWaalsContact O-N 3.15Å; A439-F442 CarbonylContact O-C 3.58Å; A439-F442 PolarHBondContact O-N 3.46Å; A439-F442 VanDerWaalsContact O-N 3.12Å; K440-F442 VanDerWaalsContact C-N 3.27Å; K440-F442 PolarHBondContact O-N 2.91Å; F442-V444 HydrophobicContact CB-CG2 4.03Å; F442-V444 PolarHBondContact O-N 3.29Å
443	N	97.2	Very high	97.3	Very high	149 Å²	149	35.5 Å²	35.5	80%	0.797	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	26	-175.5	-53	-74.4	0	0	0	114.6	A439 K440	A439-N443 PolarHBondContact O-N 3.28Å; A439-N443 VanDerWaalsContact O-N 3.12Å; K440-N443 PolarHBondContact O-N 3.41Å
444	V	98.1	Very high	97.2	Very high	10 Å²	10	34.3 Å²	34.3	6%	0.061	19%	0.186	C	C	.	.			trans	-86.8	124	176.7	-176.9	0	0	0	0	109.2	L407 V410 V413 A439 F442	L407-V444 HydrophobicContact CD2-CB 4.29Å; L407-V444 HydrophobicContact CD2-CG1 4.41Å; L407-V444 HydrophobicContact CD2-CG2 4.12Å; V410-V444 HydrophobicContact CB-CG1 4.32Å; V410-V444 HydrophobicContact CG1-CG1 3.79Å; V410-V444 WeakPolarHBondContact O-CG2 3.44Å; V413-V444 HydrophobicContact CG2-CG1 3.76Å; A439-V444 HydrophobicContact CB-CB 4.27Å; A439-V444 PolarHBondContact O-N 3.37Å; F442-V444 HydrophobicContact CB-CG2 4.03Å; F442-V444 PolarHBondContact O-N 3.29Å
445	P	97.6	Very high	97.2	Very high	50 Å²	50	29.5 Å²	29.5	33%	0.325	16%	0.163	S	C	.	.			trans	-69.3	138.3	-176.1	27.8	-35.3	0	0	0	112.3	S411 K412 V413 L447 D510	S411-P445 WeakPolarHBondContact O-CD 3.33Å; K412-P445 HydrophobicContact CG-CG 4.32Å; V413-P445 PolarHBondContact N-O 2.75Å; P445-L447 HydrophobicContact CB-CD1 4.34Å; P445-D510 WeakPolarHBondContact CA-OD2 3.43Å
446	V	98.3	Very high	96.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111.8	-178.7	-179.6	0	0	0	0	110.3	V413 L415 A436 A439 V448 F508 V509 D510 L511	V413-V446 HydrophobicContact CB-CG2 4.27Å; V413-V446 HydrophobicContact CG1-CG1 4.38Å; V413-V446 HydrophobicContact CG1-CG2 4.39Å; L415-V446 HydrophobicContact CD1-CG1 3.56Å; L415-V446 HydrophobicContact CG-CG1 4.46Å; A436-V446 HydrophobicContact CB-CG1 4.3Å; A436-V446 HydrophobicContact CB-CG2 4.4Å; A439-V446 HydrophobicContact CB-CG2 3.73Å; V446-V448 HydrophobicContact CG1-CG2 4.45Å; V446-F508 WeakPolarHBondContact CB-O 3.4Å; V446-V509 HydrophobicContact CG1-CG2 4.25Å; V446-D510 PolarHBondContact N-OD2 3.33Å; V446-D510 PolarHBondContact O-N 2.98Å; V446-D510 VanDerWaalsContact O-N 3.11Å; V446-L511 PolarHBondContact O-N 2.86Å
447	L	98.2	Very high	96.6	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.058	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.3	179.7	-59.4	89.5	0	0	0	109.7	K338 K412 V413 F414 L415 P445 L511 I513	K338-L447 HydrophobicContact CB-CD2 4.2Å; K338-L447 HydrophobicContact CG-CD2 4.43Å; K412-L447 HydrophobicContact CB-CD1 4.22Å; V413-L447 PolarHBondContact O-N 2.93Å; F414-L447 WeakPolarHBondContact CA-O 3.48Å; F414-L447 HydrophobicContact CD1-CB 4.39Å; F414-L447 HydrophobicContact CE1-CB 4.39Å; F414-L447 HydrophobicContact CE1-CD2 4.36Å; F414-L447 HydrophobicContact CE2-CD1 4.35Å; F414-L447 HydrophobicContact CE2-CD2 4.46Å; F414-L447 HydrophobicContact CZ-CD2 4.02Å; L415-L447 PolarHBondContact N-O 2.63Å; P445-L447 HydrophobicContact CB-CD1 4.34Å; L447-L511 HydrophobicContact CD2-CD2 4.32Å; L447-I513 HydrophobicContact CD2-CD1 4.15Å
448	V	98	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116	-179.4	170.8	0	0	0	0	110.4	L415 A417 L420 V426 V446 V509 L511 V512 I513	L415-V448 HydrophobicContact CB-CG2 4.16Å; L415-V448 CarbonylContact O-C 3.6Å; L415-V448 WeakPolarHBondContact O-CA 3.43Å; A417-V448 HydrophobicContact CB-CG1 3.77Å; L420-V448 HydrophobicContact CD2-CG1 4.34Å; V426-V448 HydrophobicContact CG1-CG1 3.85Å; V426-V448 HydrophobicContact CG1-CG2 4.22Å; V426-V448 HydrophobicContact CG2-CG1 4.42Å; V426-V448 HydrophobicContact CG2-CG2 4.31Å; V446-V448 HydrophobicContact CG1-CG2 4.45Å; V448-V509 HydrophobicContact CB-CG1 3.98Å; V448-V509 HydrophobicContact CG2-CG1 3.49Å; V448-V509 VanDerWaalsContact CG2-CG1 3.49Å; V448-V509 HydrophobicContact CG2-CG2 4.17Å; V448-L511 PolarHBondContact N-O 2.9Å; V448-V512 CarbonylContact O-C 3.6Å; V448-V512 WeakPolarHBondContact O-CA 3.41Å; V448-I513 PolarHBondContact O-N 2.67Å
449	C	97.7	Very high	96	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.3	177	-56	0	0	0	0	109.7	I331 L353 V354 I357 L415 A417	I331-C449 HydrophobicContact CG2-CB 4.12Å; L353-C449 HydrophobicContact CD2-CB 3.73Å; L353-C449 HydrophobicContact CG-CB 4.17Å; V354-C449 HydrophobicContact CG2-CB 4.48Å; I357-C449 HydrophobicContact CD1-CB 3.87Å; I357-C449 WeakPolarHBondContact CD1-SG 3.31Å; L415-C449 PolarHBondContact O-N 3.5Å; A417-C449 PolarHBondContact N-O 2.98Å
450	C	96.9	Very high	95.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.			trans	-152.5	125.8	-177.7	-167.4	0	0	0	0	112.2	A417 L420 F455 I513	A417-C450 HydrophobicContact CB-CB 3.82Å; L420-C450 HydrophobicContact CD1-CB 3.95Å; L420-C450 HydrophobicContact CG-CB 4.13Å; C450-F455 HydrophobicContact CB-CE1 4.39Å; C450-I513 PolarHBondContact N-O 3.18Å
451	E	96.5	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.			trans	-70.2	138	169.5	-46.5	85.8	153.5	0	0	110.3	N235 A327 I331 Y453 K454	N235-E451 PolarHBondContact ND2-OE1 3.23Å; N235-E451 PolarHBondContact OD1-OE1 3.46Å; A327-E451 HydrophobicContact CB-CB 4.38Å; A327-E451 HydrophobicContact CB-CG 4.23Å; I331-E451 HydrophobicContact CD1-CB 4.34Å; I331-E451 HydrophobicContact CD1-CG 3.92Å; E451-Y453 HydrophobicContact CB-CD1 3.51Å; E451-Y453 HydrophobicContact CB-CE1 3.59Å; E451-Y453 HydrophobicContact CG-CD1 4.34Å; E451-Y453 HydrophobicContact CG-CE1 3.97Å; E451-Y453 PolarHBondContact O-N 3.25Å; E451-K454 WeakPolarHBondContact O-CB 3.28Å; E451-K454 PolarHBondContact O-N 3.36Å; E451-K454 VanDerWaalsContact O-N 3.09Å; E451-K454 IonicContact OE1-NZ 3.3Å; E451-K454 VanDerWaalsContact OE2-CD 3.32Å; E451-K454 WeakPolarHBondContact OE2-CD 3.48Å; E451-K454 WeakPolarHBondContact OE2-CE 3.49Å; E451-K454 IonicContact OE2-NZ 2.72Å; E451-K454 PolarHBondContact OE2-NZ 3.43Å
452	T	95.7	Very high	95.3	Very high	9 Å²	9	35.8 Å²	35.8	6%	0.055	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-61.5	-23.5	-174.2	63.2	0	0	0	0	114.7	K454 F455 T514 E515 L516 V527 K531	T452-K454 PolarHBondContact O-N 3.11Å; T452-K454 VanDerWaalsContact O-N 3.09Å; T452-F455 HydrophobicContact CG2-CE1 4.48Å; T452-F455 HydrophobicContact CG2-CE2 4.12Å; T452-F455 HydrophobicContact CG2-CZ 4.08Å; T452-F455 WeakPolarHBondContact O-CB 3.37Å; T452-F455 WeakPolarHBondContact O-CD1 3.39Å; T452-F455 VanDerWaalsContact O-CG 3.3Å; T452-F455 WeakPolarHBondContact O-CG 3.44Å; T452-F455 PolarHBondContact O-N 2.84Å; T452-T514 HydrophobicContact CG2-CG2 4.35Å; T452-E515 WeakPolarHBondContact CB-OE1 3.07Å; T452-E515 VanDerWaalsContact CG2-OE1 3.24Å; T452-E515 WeakPolarHBondContact CG2-OE1 3.35Å; T452-E515 WeakPolarHBondContact CG2-OE2 3.11Å; T452-E515 PolarHBondContact N-OE2 2.97Å; T452-E515 PolarHBondContact OG1-OE1 3.38Å; T452-L516 HydrophobicContact CG2-CD1 4.2Å; T452-L516 HydrophobicContact CG2-CG 4.29Å; T452-V527 HydrophobicContact CG2-CG1 3.67Å; T452-K531 VanDerWaalsContact OG1-CE 3.3Å; T452-K531 WeakPolarHBondContact OG1-CE 3.37Å; T452-K531 PolarHBondContact OG1-NZ 2.92Å
453	Y	95.3	Very high	95.1	Very high	15 Å²	15	32.8 Å²	32.8	6%	0.059	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-66.2	-12.3	179.1	86.5	-84.3	0	0	0	113.2	N235 N287 Y319 K323 I324 E451	N235-Y453 PolarHBondContact OD1-OH 3.42Å; N287-Y453 WeakPolarHBondContact CB-O 3.27Å; N287-Y453 PolarHBondContact ND2-O 3.45Å; Y319-Y453 HydrophobicContact CE1-CD2 4.41Å; Y319-Y453 WeakPolarHBondContact OH-CD2 3.47Å; K323-Y453 WeakPolarHBondContact O-CD1 3.42Å; I324-Y453 HydrophobicContact CD1-CE2 4.38Å; I324-Y453 HydrophobicContact CG1-CD1 4.38Å; I324-Y453 HydrophobicContact CG1-CE1 3.88Å; I324-Y453 HydrophobicContact CG1-CE2 4.42Å; E451-Y453 HydrophobicContact CB-CD1 3.51Å; E451-Y453 HydrophobicContact CB-CE1 3.59Å; E451-Y453 HydrophobicContact CG-CD1 4.34Å; E451-Y453 HydrophobicContact CG-CE1 3.97Å; E451-Y453 PolarHBondContact O-N 3.25Å
454	K	96.1	Very high	94.8	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.035	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-88	-1.5	171.6	-61	177.2	172.3	162.8	0	113.9	N235 A417 A419 L420 E451 T452	N235-K454 WeakPolarHBondContact OD1-CE 3.49Å; N235-K454 PolarHBondContact OD1-NZ 3.34Å; A417-K454 PolarHBondContact O-NZ 3.29Å; A419-K454 WeakPolarHBondContact CA-O 3.46Å; A419-K454 WeakPolarHBondContact CB-O 3.37Å; L420-K454 PolarHBondContact N-O 3.12Å; E451-K454 WeakPolarHBondContact O-CB 3.28Å; E451-K454 PolarHBondContact O-N 3.36Å; E451-K454 VanDerWaalsContact O-N 3.09Å; E451-K454 IonicContact OE1-NZ 3.3Å; E451-K454 VanDerWaalsContact OE2-CD 3.32Å; E451-K454 WeakPolarHBondContact OE2-CD 3.48Å; E451-K454 WeakPolarHBondContact OE2-CE 3.49Å; E451-K454 IonicContact OE2-NZ 2.72Å; E451-K454 PolarHBondContact OE2-NZ 3.43Å; T452-K454 PolarHBondContact O-N 3.11Å; T452-K454 VanDerWaalsContact O-N 3.09Å
455	F	95.7	Very high	94.4	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	145.5	-178.7	-70.9	15.3	0	0	0	110.4	N287 L420 C450 T452 T514 I519 V524 V527 L528	N287-F455 PolarHBondContact ND2-O 3.08Å; L420-F455 HydrophobicContact CB-CD1 3.9Å; L420-F455 HydrophobicContact CB-CE1 4.08Å; L420-F455 HydrophobicContact CD1-CD1 4.3Å; L420-F455 HydrophobicContact CD1-CE1 3.61Å; L420-F455 HydrophobicContact CD1-CZ 3.98Å; L420-F455 HydrophobicContact CG-CD1 4.37Å; L420-F455 HydrophobicContact CG-CE1 4.12Å; L420-F455 CarbonylContact O-C 3.51Å; L420-F455 WeakPolarHBondContact O-CA 3.25Å; C450-F455 HydrophobicContact CB-CE1 4.39Å; T452-F455 HydrophobicContact CG2-CE1 4.48Å; T452-F455 HydrophobicContact CG2-CE2 4.12Å; T452-F455 HydrophobicContact CG2-CZ 4.08Å; T452-F455 WeakPolarHBondContact O-CB 3.37Å; T452-F455 WeakPolarHBondContact O-CD1 3.39Å; T452-F455 VanDerWaalsContact O-CG 3.3Å; T452-F455 WeakPolarHBondContact O-CG 3.44Å; T452-F455 PolarHBondContact O-N 2.84Å; F455-T514 HydrophobicContact CE1-CG2 4.36Å; F455-T514 HydrophobicContact CZ-CG2 3.68Å; F455-I519 HydrophobicContact CE2-CD1 4.34Å; F455-I519 HydrophobicContact CZ-CD1 4.31Å; F455-V524 HydrophobicContact CB-CG1 4.23Å; F455-V524 HydrophobicContact CD2-CB 4.29Å; F455-V524 HydrophobicContact CD2-CG1 3.74Å; F455-V524 HydrophobicContact CD2-CG2 4.34Å; F455-V524 HydrophobicContact CE2-CB 4.31Å; F455-V524 HydrophobicContact CE2-CG1 4.23Å; F455-V524 HydrophobicContact CE2-CG2 4.01Å; F455-V524 HydrophobicContact CG-CG1 4.04Å; F455-V524 HydrophobicContact CZ-CG2 4.24Å; F455-V527 HydrophobicContact CD2-CB 4.14Å; F455-V527 HydrophobicContact CD2-CG1 3.97Å; F455-V527 HydrophobicContact CE2-CB 3.84Å; F455-V527 HydrophobicContact CE2-CG1 3.75Å; F455-V527 HydrophobicContact CE2-CG2 4.25Å; F455-L528 HydrophobicContact CB-CD1 4.31Å; F455-L528 HydrophobicContact CB-CD2 3.63Å; F455-L528 HydrophobicContact CB-CG 3.95Å; F455-L528 HydrophobicContact CD2-CG 4.42Å
456	C	91.9	Very high	94	Very high	8 Å²	8	31.7 Å²	31.7	5%	0.054	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.7	-171.9	-64.9	0	0	0	0	110.9	A283 L420 L421 A422 R458	A283-C456 WeakPolarHBondContact CB-SG 3.4Å; L420-C456 WeakPolarHBondContact O-CB 3.37Å; L420-C456 PolarHBondContact O-N 3.45Å; L421-C456 HydrophobicContact CD2-CB 4.1Å; A422-C456 WeakPolarHBondContact CB-O 3.25Å; A422-C456 PolarHBondContact N-O 3.03Å; C456-R458 HydrophobicContact CB-CB 4.3Å; C456-R458 PolarHBondContact O-N 3.5Å
457	E	90.9	Very high	93.8	Very high	103 Å²	103	32.3 Å²	32.3	48%	0.481	17%	0.172	S	C	.	.	S	Bend	trans	-61.2	-21.8	162.9	-67.7	-175.4	-170.3	0	0	112.5	R154	R154-E457 IonicContact CZ-OE2 2.71Å; R154-E457 IonicContact NH1-OE2 2.98Å; R154-E457 PolarHBondContact NH1-OE2 3.12Å; R154-E457 IonicContact NH2-OE2 3.32Å; R154-E457 PolarHBondContact NH2-OE2 3.15Å; R154-E457 VanDerWaalsContact NH2-OE2 3.11Å
458	R	90.1	Very high	93.5	Very high	63 Å²	63	32.3 Å²	32.3	24%	0.238	17%	0.172	C	C	.	.			trans	-67.2	137.2	-179.5	-164.4	169.4	70.4	77.9	-0.7	110.1	L421 A422 C456 Q460 S466	L421-R458 VanDerWaalsContact CD2-O 3.28Å; L421-R458 WeakPolarHBondContact CD2-O 3.5Å; A422-R458 PolarHBondContact N-O 2.94Å; C456-R458 HydrophobicContact CB-CB 4.3Å; C456-R458 PolarHBondContact O-N 3.5Å; R458-Q460 VanDerWaalsContact CZ-OE1 3.3Å; R458-S466 PolarHBondContact NH1-OG 2.95Å; R458-S466 PolarHBondContact NH2-OG 3.14Å
459	V	92.2	Very high	93.3	Very high	84 Å²	84	32.9 Å²	32.9	51%	0.509	18%	0.175	S	C	.	.			trans	-110.2	135.8	172.7	172	0	0	0	0	108.1	A422 N423	A422-V459 HydrophobicContact CB-CG2 3.98Å; N423-V459 HydrophobicContact CB-CG1 4.01Å; N423-V459 HydrophobicContact CB-CG2 4.25Å
460	Q	92.3	Very high	93.1	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.056	18%	0.178	C	C	.	.			trans	-143.6	143.6	165.7	57.2	-178.4	22.9	0	0	107.9	L421 N423 M427 R458 S466 V503	L421-Q460 HydrophobicContact CD1-CG 3.39Å; L421-Q460 HydrophobicContact CD2-CG 4.06Å; L421-Q460 HydrophobicContact CG-CG 4.37Å; N423-Q460 PolarHBondContact ND2-O 3.3Å; N423-Q460 VanDerWaalsContact ND2-O 3.08Å; M427-Q460 PolarHBondContact SD-NE2 2.78Å; R458-Q460 VanDerWaalsContact CZ-OE1 3.3Å; Q460-S466 PolarHBondContact OE1-O 3.18Å; Q460-V503 HydrophobicContact CG-CG1 4Å
461	T	92.4	Very high	92.8	Very high	95 Å²	95	33.8 Å²	33.8	58%	0.583	18%	0.179	S	C	*	.	S	Bend	trans	-107.5	-18.4	-178.8	45.8	0	0	0	0	112.5	Y425	Y425-T461 WeakPolarHBondContact CE1-O 3.5Å
462	D	93.4	Very high	92.6	Very high	44 Å²	44	33.8 Å²	33.8	24%	0.235	18%	0.179	C	C	.	.	S	Bend	trans	-122.6	172.4	178.7	63.6	57.5	0	0	0	111.7	F464 V465 V503	D462-F464 HydrophobicContact CB-CD2 3.69Å; D462-F464 HydrophobicContact CB-CE2 4.27Å; D462-F464 HydrophobicContact CB-CG 4.36Å; D462-F464 WeakPolarHBondContact OD1-CA 3.38Å; D462-F464 WeakPolarHBondContact OD1-CB 3.37Å; D462-F464 PolarHBondContact OD1-N 3.48Å; D462-V465 WeakPolarHBondContact OD1-CG2 3.3Å; D462-V465 PolarHBondContact OD1-N 3.4Å; D462-V465 WeakPolarHBondContact OD2-CG2 3.37Å; D462-V503 VanDerWaalsContact C-CG2 3.47Å; D462-V503 WeakPolarHBondContact O-CG1 3.42Å; D462-V503 WeakPolarHBondContact O-CG2 3.49Å
463	S	92.4	Very high	92.5	Very high	25 Å²	25	34.3 Å²	34.3	18%	0.175	18%	0.182	C	C	.	.	S	Bend	trans	-97.6	14.7	174.8	-54.4	0	0	0	0	112.5	N467 D502 V503	S463-N467 PolarHBondContact O-ND2 3.35Å; S463-D502 WeakPolarHBondContact OG-CA 3.29Å; S463-V503 PolarHBondContact OG-N 2.98Å
464	F	91	Very high	92.3	Very high	89 Å²	89	35.6 Å²	35.6	39%	0.39	19%	0.19	S	C	.	.	S	Bend	trans	-103.3	-53.2	-170.8	-52.3	-50.5	0	0	0	111.7	L191 F192 H194 D462 S466	L191-F464 HydrophobicContact CD2-CD1 3.62Å; L191-F464 HydrophobicContact CD2-CD2 4.36Å; L191-F464 HydrophobicContact CD2-CE1 3.72Å; L191-F464 HydrophobicContact CD2-CE2 4.45Å; L191-F464 HydrophobicContact CD2-CG 3.96Å; L191-F464 HydrophobicContact CD2-CZ 4.14Å; L191-F464 HydrophobicContact CG-CD1 4.27Å; L191-F464 HydrophobicContact CG-CG 4.34Å; F192-F464 HydrophobicContact CE1-CB 4.46Å; F192-F464 AromaticContact CE1-CD1 3.64Å; F192-F464 HydrophobicContact CE1-CD1 3.64Å; F192-F464 HydrophobicContact CE1-CE1 4.46Å; F192-F464 HydrophobicContact CE2-CD1 4.47Å; F192-F464 AromaticContact CZ-CD1 3.46Å; F192-F464 HydrophobicContact CZ-CD1 3.46Å; F192-F464 VanDerWaalsContact CZ-CD1 3.46Å; F192-F464 AromaticContact CZ-CE1 3.88Å; F192-F464 HydrophobicContact CZ-CE1 3.88Å; H194-F464 PolarHBondContact CE1-O 3.14Å; H194-F464 VanDerWaalsContact CE1-O 3.24Å; H194-F464 PolarHBondContact NE2-O 3.21Å; D462-F464 HydrophobicContact CB-CD2 3.69Å; D462-F464 HydrophobicContact CB-CE2 4.27Å; D462-F464 HydrophobicContact CB-CG 4.36Å; D462-F464 WeakPolarHBondContact OD1-CA 3.38Å; D462-F464 WeakPolarHBondContact OD1-CB 3.37Å; D462-F464 PolarHBondContact OD1-N 3.48Å; F464-S466 PolarHBondContact O-N 3.48Å; F464-S466 VanDerWaalsContact O-N 3.13Å
465	V	89.3	Confident	92.2	Very high	88 Å²	88	37 Å²	37	53%	0.533	20%	0.198	S	C	.	.	S	Bend	trans	-62	-24.6	-168.9	170.4	0	0	0	0	114.3	H194 D462	H194-V465 PolarHBondContact NE2-O 3.38Å; D462-V465 WeakPolarHBondContact OD1-CG2 3.3Å; D462-V465 PolarHBondContact OD1-N 3.4Å; D462-V465 WeakPolarHBondContact OD2-CG2 3.37Å
466	S	90.1	Very high	92	Very high	10 Å²	10	38.8 Å²	38.8	7%	0.07	21%	0.206	C	C	.	.	S	Bend	trans	-157.2	84.3	-174.9	168.8	0	0	0	0	111	H158 R458 Q460 F464	H158-S466 PolarHBondContact NE2-OG 3.3Å; R458-S466 PolarHBondContact NH1-OG 2.95Å; R458-S466 PolarHBondContact NH2-OG 3.14Å; Q460-S466 PolarHBondContact OE1-O 3.18Å; F464-S466 PolarHBondContact O-N 3.48Å; F464-S466 VanDerWaalsContact O-N 3.13Å
467	N	93.1	Very high	91.9	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.07	22%	0.223	C	C	.	.			trans	-126.7	173.1	178.6	-147.6	-29.7	0	0	0	111.8	L195 S463 Y501	L195-N467 HydrophobicContact CD1-CB 3.73Å; S463-N467 PolarHBondContact O-ND2 3.35Å; N467-Y501 PolarHBondContact ND2-O 3.36Å; N467-Y501 PolarHBondContact OD1-N 2.89Å; N467-Y501 PolarHBondContact OD1-O 3.44Å
468	E	93.3	Very high	91.8	Very high	11 Å²	11	40.6 Å²	40.6	5%	0.051	23%	0.225	C	C	.	.			trans	-105.5	126	167.2	-179.7	-171	146.6	0	0	108	R237 R279 P280 V500 Y501	R237-E468 IonicContact NH1-OE2 3.12Å; R279-E468 IonicContact CZ-OE1 3.3Å; R279-E468 IonicContact CZ-OE2 3.59Å; R279-E468 IonicContact NE-OE1 2.77Å; R279-E468 PolarHBondContact NE-OE1 2.95Å; R279-E468 IonicContact NE-OE2 3.69Å; R279-E468 PolarHBondContact NE-OE2 2.79Å; R279-E468 IonicContact NH2-OE1 3.79Å; R279-E468 PolarHBondContact NH2-OE1 2.91Å; R279-E468 IonicContact NH2-OE2 3.05Å; R279-E468 PolarHBondContact NH2-OE2 3.17Å; P280-E468 HydrophobicContact CB-CG 4.46Å; P280-E468 HydrophobicContact CG-CG 4.2Å; E468-V500 HydrophobicContact CB-CB 4.01Å; E468-V500 HydrophobicContact CB-CG2 4.1Å; E468-V500 HydrophobicContact CG-CB 4.27Å; E468-V500 HydrophobicContact CG-CG2 3.87Å; E468-V500 WeakPolarHBondContact O-CB 3.27Å; E468-V500 WeakPolarHBondContact O-CG2 3.47Å; E468-V500 PolarHBondContact O-N 3.3Å; E468-Y501 HydrophobicContact CB-CD2 4.06Å; E468-Y501 HydrophobicContact CB-CE2 3.97Å; E468-Y501 WeakPolarHBondContact OE2-CE2 3.4Å
469	L	92.6	Very high	91.7	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.063	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-90.6	126.2	169.6	-57.1	-176.3	0	0	0	108.3	F192 L195 Q197 L497 L499	F192-L469 HydrophobicContact CB-CD1 4.29Å; F192-L469 HydrophobicContact CB-CD2 4.38Å; F192-L469 HydrophobicContact CD1-CD2 4.38Å; L195-L469 HydrophobicContact CB-CD1 3.81Å; L195-L469 HydrophobicContact CB-CG 3.96Å; L195-L469 HydrophobicContact CD1-CD2 4.01Å; L195-L469 HydrophobicContact CD1-CG 4.06Å; Q197-L469 HydrophobicContact CB-CB 4.26Å; Q197-L469 HydrophobicContact CB-CD1 3.78Å; Q197-L469 HydrophobicContact CG-CB 4.17Å; Q197-L469 HydrophobicContact CG-CD1 4.2Å; L469-L497 HydrophobicContact CD2-CD1 3.77Å; L469-L499 HydrophobicContact CD2-CD2 3.48Å; L469-L499 VanDerWaalsContact CD2-CD2 3.48Å
470	D	93.1	Very high	91.5	Very high	14 Å²	14	49.9 Å²	49.9	8%	0.075	26%	0.263	C	S	.	.			trans	-87.7	179.2	173.1	-140.6	-18.1	0	0	0	111.1	R200 R378 P472 N498 V500	R200-D470 IonicContact CZ-OD1 3.71Å; R200-D470 IonicContact NE-OD1 3.71Å; R200-D470 IonicContact NH2-OD1 3.97Å; R200-D470 PolarHBondContact NH2-OD1 3.11Å; R200-D470 IonicContact NH2-OD2 3.36Å; R200-D470 PolarHBondContact NH2-OD2 3.45Å; R378-D470 IonicContact CZ-OD1 2.69Å; R378-D470 IonicContact CZ-OD2 2.75Å; R378-D470 IonicContact NE-OD2 3.57Å; R378-D470 PolarHBondContact NE-OD2 3.1Å; R378-D470 VanDerWaalsContact NH2-CG 3.29Å; R378-D470 IonicContact NH2-OD1 2.93Å; R378-D470 PolarHBondContact NH2-OD1 3.02Å; R378-D470 IonicContact NH2-OD2 3.49Å; R378-D470 PolarHBondContact NH2-OD2 3.45Å; D470-P472 WeakPolarHBondContact O-CD 3.38Å; D470-N498 HydrophobicContact CB-CB 4.24Å; D470-N498 PolarHBondContact N-O 3.23Å; D470-V500 HydrophobicContact CB-CG2 3.66Å
471	D	92.3	Very high	91.3	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.027	30%	0.295	C	S	.	.			trans	-58	124.4	177.1	-155.2	-39.5	0	0	0	110.6	S199 R200 D473 D474 N498	S199-D471 VanDerWaalsContact CA-OD2 3.22Å; S199-D471 WeakPolarHBondContact CA-OD2 3.38Å; S199-D471 WeakPolarHBondContact CB-OD2 3.2Å; S199-D471 PolarHBondContact OG-OD2 2.98Å; R200-D471 HydrophobicContact CG-CB 4.35Å; R200-D471 PolarHBondContact N-OD2 3.24Å; D471-D473 PolarHBondContact O-N 2.98Å; D471-D473 WeakPolarHBondContact OD1-CB 3.4Å; D471-D473 PolarHBondContact OD1-N 3.13Å; D471-D473 VanDerWaalsContact OD1-N 3.11Å; D471-D474 PolarHBondContact O-N 3.44Å; D471-N498 PolarHBondContact O-ND2 2.69Å
472	P	92.3	Very high	91	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-62.1	-32.2	174.9	22.3	-32	0	0	0	112.7	Y185 D470 D474 L475 W488 L496	Y185-P472 HydrophobicContact CD1-CG 3.85Å; Y185-P472 HydrophobicContact CE1-CG 4.18Å; D470-P472 WeakPolarHBondContact O-CD 3.38Å; P472-D474 PolarHBondContact O-N 3.32Å; P472-L475 PolarHBondContact O-N 2.7Å; P472-W488 HydrophobicContact CB-CH2 3.86Å; P472-W488 HydrophobicContact CB-CZ2 3.56Å; P472-W488 HydrophobicContact CG-CH2 3.93Å; P472-W488 HydrophobicContact CG-CZ2 3.54Å; P472-L496 HydrophobicContact CB-CB 3.69Å
473	D	91.9	Very high	90.9	Very high	19 Å²	19	54.3 Å²	54.3	10%	0.102	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-69.5	-19.4	-175	-68.3	-9	0	0	0	112.5	Y185 K201 D471 L475 I476 W488	Y185-D473 PolarHBondContact OH-OD2 2.95Å; K201-D473 WeakPolarHBondContact CE-OD2 3.44Å; K201-D473 IonicContact NZ-OD2 2.64Å; K201-D473 PolarHBondContact NZ-OD2 3.3Å; D471-D473 PolarHBondContact O-N 2.98Å; D471-D473 WeakPolarHBondContact OD1-CB 3.4Å; D471-D473 PolarHBondContact OD1-N 3.13Å; D471-D473 VanDerWaalsContact OD1-N 3.11Å; D473-L475 PolarHBondContact O-N 3.38Å; D473-L475 VanDerWaalsContact O-N 3.16Å; D473-I476 HydrophobicContact CB-CD1 3.99Å; D473-I476 VanDerWaalsContact O-CB 3.24Å; D473-I476 WeakPolarHBondContact O-CB 3.27Å; D473-I476 WeakPolarHBondContact O-CG1 3.49Å; D473-I476 PolarHBondContact O-N 3.34Å; D473-W488 PolarHBondContact OD1-NE1 3.12Å
474	D	92.3	Very high	90.7	Very high	42 Å²	42	61.3 Å²	61.3	23%	0.225	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-60.3	-22.8	173.8	-84.5	13.7	0	0	0	113	R200 P377 D471 P472 I476	R200-D474 IonicContact CZ-OD1 3.12Å; R200-D474 IonicContact CZ-OD2 3.67Å; R200-D474 VanDerWaalsContact CZ-OD2 3.3Å; R200-D474 VanDerWaalsContact NH1-CG 3.27Å; R200-D474 IonicContact NH1-OD1 2.77Å; R200-D474 PolarHBondContact NH1-OD1 2.92Å; R200-D474 IonicContact NH1-OD2 3.72Å; R200-D474 PolarHBondContact NH1-OD2 2.81Å; R200-D474 IonicContact NH2-OD1 2.74Å; R200-D474 IonicContact NH2-OD2 2.78Å; R200-D474 PolarHBondContact NH2-OD2 3.25Å; P377-D474 HydrophobicContact CB-CB 3.87Å; P377-D474 WeakPolarHBondContact CB-O 3.46Å; P377-D474 HydrophobicContact CG-CB 3.65Å; D471-D474 PolarHBondContact O-N 3.44Å; P472-D474 PolarHBondContact O-N 3.32Å; D474-I476 VanDerWaalsContact C-N 3.29Å
475	L	92.7	Very high	90.7	Very high	39 Å²	39	59.9 Å²	59.9	20%	0.204	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-77.3	-18	178	-62.9	176.5	0	0	0	112.6	R376 P377 P472 D473 V477 L496 L497 N498	R376-L475 PolarHBondContact NH2-O 3.48Å; P377-L475 HydrophobicContact CB-CD2 4.31Å; P377-L475 HydrophobicContact CG-CD2 4.07Å; P472-L475 PolarHBondContact O-N 2.7Å; D473-L475 PolarHBondContact O-N 3.38Å; D473-L475 VanDerWaalsContact O-N 3.16Å; L475-V477 PolarHBondContact O-N 2.86Å; L475-L496 HydrophobicContact CD1-CB 4.33Å; L475-L497 WeakPolarHBondContact CD1-O 3.47Å; L475-N498 HydrophobicContact CD1-CB 4.11Å; L475-N498 HydrophobicContact CD2-CB 4.42Å; L475-N498 HydrophobicContact CG-CB 4.21Å
476	I	92.1	Very high	90.6	Very high	38 Å²	38	61.8 Å²	61.8	20%	0.195	33%	0.327	C	S	.	.			trans	-70.7	126	176.6	-52.9	172.7	0	0	0	108.3	D473 D474 T483 L485 L496	D473-I476 HydrophobicContact CB-CD1 3.99Å; D473-I476 VanDerWaalsContact O-CB 3.24Å; D473-I476 WeakPolarHBondContact O-CB 3.27Å; D473-I476 WeakPolarHBondContact O-CG1 3.49Å; D473-I476 PolarHBondContact O-N 3.34Å; D474-I476 VanDerWaalsContact C-N 3.29Å; I476-T483 HydrophobicContact CG2-CG2 3.26Å; I476-L485 HydrophobicContact CB-CB 4.49Å; I476-L485 HydrophobicContact CG1-CB 3.99Å; I476-L485 HydrophobicContact CG2-CB 4.3Å; I476-L496 HydrophobicContact CG1-CD1 4.08Å
477	V	89.8	Confident	90.5	Very high	66 Å²	66	66.2 Å²	66.2	40%	0.4	35%	0.349	S	S	.	.			trans	-135.1	125	176	167.6	0	0	0	0	109.2	L475 R479	L475-V477 PolarHBondContact O-N 2.86Å; V477-R479 HydrophobicContact CG1-CG 3.98Å
478	T	89.8	Confident	90.4	Very high	84 Å²	84	65.8 Å²	65.8	52%	0.515	35%	0.347	S	S	.	.			trans	-73.1	126.8	168.9	-49.3	0	0	0	0	109.5	Q482 T483	T478-Q482 CarbonylContact C-O 3.55Å; T478-Q482 VanDerWaalsContact CA-O 3.32Å; T478-Q482 WeakPolarHBondContact CA-O 3.4Å; T478-T483 WeakPolarHBondContact CG2-OG1 3.3Å; T478-T483 PolarHBondContact OG1-OG1 3.29Å
479	R	88.3	Confident	90.1	Very high	169 Å²	169	69.9 Å²	69.9	64%	0.638	37%	0.366	S	S	*	.	B	Isolated β-bridge	trans	-125.9	130.7	172.8	-64.8	-174.2	174	-178	-3.6	108.5	V477 G481 Q482	V477-R479 HydrophobicContact CG1-CG 3.98Å; R479-G481 PolarHBondContact O-N 2.91Å; R479-G481 VanDerWaalsContact O-N 3.15Å; R479-Q482 PolarHBondContact N-O 3.13Å; R479-Q482 PolarHBondContact O-N 2.96Å
480	N	87.1	Confident	90	Very high	173 Å²	173	76.4 Å²	76.4	93%	0.925	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	38.3	179.7	-53.8	-11.1	0	0	0	113.2	Q482	N480-Q482 VanDerWaalsContact C-N 3.27Å; N480-Q482 PolarHBondContact O-N 3.17Å
481	G	86.9	Confident	89.9	Confident	70 Å²	70	80 Å²	80	72%	0.722	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-2.5	-177	0	0	0	0	0	115.9	R479	R479-G481 PolarHBondContact O-N 2.91Å; R479-G481 VanDerWaalsContact O-N 3.15Å
482	Q	87.3	Confident	89.6	Confident	137 Å²	137	85 Å²	85	64%	0.64	45%	0.445	S	S	*	.	B	Isolated β-bridge	trans	-105.6	134.1	-179.9	-63.9	-176.6	-11.9	0	0	112.1	T478 R479 N480	T478-Q482 CarbonylContact C-O 3.55Å; T478-Q482 VanDerWaalsContact CA-O 3.32Å; T478-Q482 WeakPolarHBondContact CA-O 3.4Å; R479-Q482 PolarHBondContact N-O 3.13Å; R479-Q482 PolarHBondContact O-N 2.96Å; N480-Q482 VanDerWaalsContact C-N 3.27Å; N480-Q482 PolarHBondContact O-N 3.17Å
483	T	91.7	Very high	89.5	Confident	37 Å²	37	89.8 Å²	89.8	23%	0.227	48%	0.479	C	S	.	.			trans	-117	86.8	-179.9	-49.6	0	0	0	0	110.3	I476 T478 L485 E486	I476-T483 HydrophobicContact CG2-CG2 3.26Å; T478-T483 WeakPolarHBondContact CG2-OG1 3.3Å; T478-T483 PolarHBondContact OG1-OG1 3.29Å; T483-L485 PolarHBondContact O-N 3.45Å; T483-L485 VanDerWaalsContact O-N 3.14Å; T483-E486 HydrophobicContact CG2-CB 3.81Å; T483-E486 HydrophobicContact CG2-CG 4.45Å; T483-E486 PolarHBondContact O-N 3.49Å
484	Q	88.1	Confident	89.4	Confident	172 Å²	172	91.6 Å²	91.6	80%	0.804	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.1	-169.9	-65.5	177.6	-45.6	0	0	115.2
485	L	90.6	Very high	89.2	Confident	59 Å²	59	90.9 Å²	90.9	31%	0.309	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	14.1	-174.5	-63.5	175.4	0	0	0	113.3	I476 T483 N487 W488 L494 L496	I476-L485 HydrophobicContact CB-CB 4.49Å; I476-L485 HydrophobicContact CG1-CB 3.99Å; I476-L485 HydrophobicContact CG2-CB 4.3Å; T483-L485 PolarHBondContact O-N 3.45Å; T483-L485 VanDerWaalsContact O-N 3.14Å; L485-N487 PolarHBondContact O-N 3.09Å; L485-W488 WeakPolarHBondContact O-CB 3.41Å; L485-W488 VanDerWaalsContact O-CD1 3.32Å; L485-W488 PolarHBondContact O-N 2.77Å; L485-L494 HydrophobicContact CD2-CD2 4.17Å; L485-L496 HydrophobicContact CD1-CD2 4.18Å
486	E	87.3	Confident	89.2	Confident	128 Å²	128	89.7 Å²	89.7	60%	0.598	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-43.1	-173.6	-170	163.1	-169.2	0	0	113.2	T483	T483-E486 HydrophobicContact CG2-CB 3.81Å; T483-E486 HydrophobicContact CG2-CG 4.45Å; T483-E486 PolarHBondContact O-N 3.49Å
487	N	88.3	Confident	89.3	Confident	102 Å²	102	90.4 Å²	90.4	55%	0.545	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	26.9	-178	-68.5	-48.6	0	0	0	113.5	L485 Q489 Q490	L485-N487 PolarHBondContact O-N 3.09Å; N487-Q489 PolarHBondContact O-N 2.98Å; N487-Q490 HydrophobicContact CB-CG 4.32Å; N487-Q490 WeakPolarHBondContact O-CB 3.41Å; N487-Q490 PolarHBondContact O-N 3.23Å; N487-Q490 PolarHBondContact OD1-NE2 3.12Å
488	W	90.7	Very high	89.4	Confident	4 Å²	4	87.9 Å²	87.9	2%	0.015	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-54.8	-27	-172.6	72.6	-88.4	0	0	0	114.7	P472 D473 L485 Q490 E491 L494 L496	P472-W488 HydrophobicContact CB-CH2 3.86Å; P472-W488 HydrophobicContact CB-CZ2 3.56Å; P472-W488 HydrophobicContact CG-CH2 3.93Å; P472-W488 HydrophobicContact CG-CZ2 3.54Å; D473-W488 PolarHBondContact OD1-NE1 3.12Å; L485-W488 WeakPolarHBondContact O-CB 3.41Å; L485-W488 VanDerWaalsContact O-CD1 3.32Å; L485-W488 PolarHBondContact O-N 2.77Å; W488-Q490 VanDerWaalsContact C-N 3.31Å; W488-Q490 PolarHBondContact O-N 3.49Å; W488-E491 PolarHBondContact O-N 2.86Å; W488-L494 HydrophobicContact CB-CD2 3.68Å; W488-L494 HydrophobicContact CB-CG 4.18Å; W488-L496 HydrophobicContact CB-CD1 4.13Å; W488-L496 HydrophobicContact CB-CG 4.28Å; W488-L496 HydrophobicContact CD2-CB 4.31Å; W488-L496 HydrophobicContact CD2-CD1 3.7Å; W488-L496 HydrophobicContact CD2-CG 3.72Å; W488-L496 HydrophobicContact CE3-CB 4.27Å; W488-L496 HydrophobicContact CE3-CD1 4.41Å; W488-L496 HydrophobicContact CE3-CG 3.92Å; W488-L496 HydrophobicContact CG-CD1 3.55Å; W488-L496 HydrophobicContact CG-CG 3.9Å; W488-L496 HydrophobicContact CH2-CB 4.41Å; W488-L496 HydrophobicContact CZ2-CB 4.49Å; W488-L496 HydrophobicContact CZ3-CB 4.31Å; W488-L496 HydrophobicContact CZ3-CG 4.47Å
489	Q	87.8	Confident	89.6	Confident	97 Å²	97	85.3 Å²	85.3	45%	0.453	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-74.8	-17.3	179.8	-61.1	178.8	1.3	0	0	114.2	Y185 N487	Y185-Q489 PolarHBondContact OH-NE2 3.34Å; N487-Q489 PolarHBondContact O-N 2.98Å
490	Q	89.8	Confident	89.9	Confident	150 Å²	150	77.6 Å²	77.6	70%	0.701	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-81.6	-20.7	177.2	-59.2	179.2	16.1	0	0	111.7	N487 W488 P492	N487-Q490 HydrophobicContact CB-CG 4.32Å; N487-Q490 WeakPolarHBondContact O-CB 3.41Å; N487-Q490 PolarHBondContact O-N 3.23Å; N487-Q490 PolarHBondContact OD1-NE2 3.12Å; W488-Q490 VanDerWaalsContact C-N 3.31Å; W488-Q490 PolarHBondContact O-N 3.49Å; Q490-P492 WeakPolarHBondContact O-CD 3.39Å
491	E	90.1	Very high	90.4	Very high	89 Å²	89	70 Å²	70	42%	0.416	39%	0.386	S	S	.	.			trans	-94	105.5	-178	178	46.6	-117.1	0	0	110.1	W488 S493 L494	W488-E491 PolarHBondContact O-N 2.86Å; E491-S493 PolarHBondContact O-N 2.97Å; E491-S493 VanDerWaalsContact O-N 3.11Å; E491-S493 WeakPolarHBondContact OE1-CB 3.43Å; E491-S493 PolarHBondContact OE1-N 2.79Å; E491-S493 VanDerWaalsContact OE1-N 3.11Å; E491-S493 PolarHBondContact OE1-OG 2.73Å; E491-L494 HydrophobicContact CB-CB 3.99Å; E491-L494 HydrophobicContact CG-CB 3.75Å; E491-L494 PolarHBondContact O-N 3.4Å
492	P	86.8	Confident	90.8	Very high	110 Å²	110	67 Å²	67	71%	0.714	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.3	-173.7	28.4	-37.2	0	0	0	113.9	Q490	Q490-P492 WeakPolarHBondContact O-CD 3.39Å
493	S	89.5	Confident	91.2	Very high	101 Å²	101	61 Å²	61	71%	0.706	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.3	175.1	68	0	0	0	0	114.4	E491	E491-S493 PolarHBondContact O-N 2.97Å; E491-S493 VanDerWaalsContact O-N 3.11Å; E491-S493 WeakPolarHBondContact OE1-CB 3.43Å; E491-S493 PolarHBondContact OE1-N 2.79Å; E491-S493 VanDerWaalsContact OE1-N 3.11Å; E491-S493 PolarHBondContact OE1-OG 2.73Å
494	L	89.9	Confident	91.5	Very high	56 Å²	56	59.3 Å²	59.3	29%	0.293	32%	0.315	S	S	.	.			trans	-109.8	122.1	-171.4	-178.4	55.5	0	0	0	112.6	L485 W488 E491 L496	L485-L494 HydrophobicContact CD2-CD2 4.17Å; W488-L494 HydrophobicContact CB-CD2 3.68Å; W488-L494 HydrophobicContact CB-CG 4.18Å; E491-L494 HydrophobicContact CB-CB 3.99Å; E491-L494 HydrophobicContact CG-CB 3.75Å; E491-L494 PolarHBondContact O-N 3.4Å; L494-L496 HydrophobicContact CD1-CD2 4.42Å
495	G	89.2	Confident	91.9	Very high	27 Å²	27	52.4 Å²	52.4	28%	0.278	29%	0.286	S	S	.	.			trans	-122.9	126.1	172.7	0	0	0	0	0	111.9
496	L	92.5	Very high	92.1	Very high	14 Å²	14	50.8 Å²	50.8	7%	0.073	28%	0.278	C	S	.	.			trans	-92.6	128.2	172.9	-63.8	-170.6	0	0	0	110.6	Q197 P472 L475 I476 L485 W488 L494	Q197-L496 PolarHBondContact NE2-O 2.99Å; P472-L496 HydrophobicContact CB-CB 3.69Å; L475-L496 HydrophobicContact CD1-CB 4.33Å; I476-L496 HydrophobicContact CG1-CD1 4.08Å; L485-L496 HydrophobicContact CD1-CD2 4.18Å; W488-L496 HydrophobicContact CB-CD1 4.13Å; W488-L496 HydrophobicContact CB-CG 4.28Å; W488-L496 HydrophobicContact CD2-CB 4.31Å; W488-L496 HydrophobicContact CD2-CD1 3.7Å; W488-L496 HydrophobicContact CD2-CG 3.72Å; W488-L496 HydrophobicContact CE3-CB 4.27Å; W488-L496 HydrophobicContact CE3-CD1 4.41Å; W488-L496 HydrophobicContact CE3-CG 3.92Å; W488-L496 HydrophobicContact CG-CD1 3.55Å; W488-L496 HydrophobicContact CG-CG 3.9Å; W488-L496 HydrophobicContact CH2-CB 4.41Å; W488-L496 HydrophobicContact CZ2-CB 4.49Å; W488-L496 HydrophobicContact CZ3-CB 4.31Å; W488-L496 HydrophobicContact CZ3-CG 4.47Å; L494-L496 HydrophobicContact CD1-CD2 4.42Å
497	L	93.1	Very high	92.5	Very high	53 Å²	53	50.1 Å²	50.1	28%	0.277	28%	0.279	S	S	.	.			trans	-130.1	119.9	-175.3	178.6	70.4	0	0	0	111.3	V189 F192 L469 L475 L499	V189-L497 HydrophobicContact CG2-CB 3.96Å; V189-L497 HydrophobicContact CG2-CD2 4.37Å; F192-L497 HydrophobicContact CB-CD1 4.42Å; F192-L497 HydrophobicContact CD2-CD1 3.84Å; F192-L497 HydrophobicContact CD2-CD2 3.65Å; F192-L497 HydrophobicContact CD2-CG 4.42Å; F192-L497 HydrophobicContact CE2-CD1 4.26Å; F192-L497 HydrophobicContact CE2-CD2 3.31Å; F192-L497 HydrophobicContact CE2-CG 4.42Å; F192-L497 HydrophobicContact CG-CD1 4.09Å; F192-L497 HydrophobicContact CZ-CD2 3.99Å; L469-L497 HydrophobicContact CD2-CD1 3.77Å; L475-L497 WeakPolarHBondContact CD1-O 3.47Å; L497-L499 HydrophobicContact CD1-CD2 3.99Å; L497-L499 HydrophobicContact CD2-CG 4.46Å; L497-L499 HydrophobicContact CG-CD2 4.31Å; L497-L499 HydrophobicContact CG-CG 4.36Å
498	N	92.8	Very high	92.9	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.07	27%	0.265	C	S	.	.			trans	-125.2	96.8	-179.7	-170.8	8.4	0	0	0	109.4	P377 D470 D471 L475	P377-N498 VanDerWaalsContact CG-ND2 3.29Å; P377-N498 WeakPolarHBondContact CG-ND2 3.12Å; D470-N498 HydrophobicContact CB-CB 4.24Å; D470-N498 PolarHBondContact N-O 3.23Å; D471-N498 PolarHBondContact O-ND2 2.69Å; L475-N498 HydrophobicContact CD1-CB 4.11Å; L475-N498 HydrophobicContact CD2-CB 4.42Å; L475-N498 HydrophobicContact CG-CB 4.21Å
499	L	94.6	Very high	93.2	Very high	31 Å²	31	48.1 Å²	48.1	16%	0.162	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-80.9	135.1	177.5	-60.9	-179.4	0	0	0	110.2	F192 V430 L469 L497	F192-L499 HydrophobicContact CD1-CD2 3.9Å; F192-L499 HydrophobicContact CE1-CD1 3.99Å; F192-L499 HydrophobicContact CE1-CD2 3.51Å; F192-L499 HydrophobicContact CE1-CG 4.37Å; F192-L499 HydrophobicContact CZ-CD1 3.83Å; F192-L499 HydrophobicContact CZ-CD2 3.93Å; F192-L499 HydrophobicContact CZ-CG 4.4Å; V430-L499 WeakPolarHBondContact CG1-O 3.4Å; V430-L499 HydrophobicContact CG2-CB 4.45Å; L469-L499 HydrophobicContact CD2-CD2 3.48Å; L469-L499 VanDerWaalsContact CD2-CD2 3.48Å; L497-L499 HydrophobicContact CD1-CD2 3.99Å; L497-L499 HydrophobicContact CD2-CG 4.46Å; L497-L499 HydrophobicContact CG-CD2 4.31Å; L497-L499 HydrophobicContact CG-CG 4.36Å
500	V	95	Very high	93.6	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.042	26%	0.262	C	S	.	.			trans	-86.5	-34	180	-179.7	0	0	0	0	112.4	R429 V430 E468 D470	R429-V500 WeakPolarHBondContact CA-O 3.48Å; V430-V500 PolarHBondContact N-O 2.89Å; V430-V500 VanDerWaalsContact N-O 3.14Å; E468-V500 HydrophobicContact CB-CB 4.01Å; E468-V500 HydrophobicContact CB-CG2 4.1Å; E468-V500 HydrophobicContact CG-CB 4.27Å; E468-V500 HydrophobicContact CG-CG2 3.87Å; E468-V500 WeakPolarHBondContact O-CB 3.27Å; E468-V500 WeakPolarHBondContact O-CG2 3.47Å; E468-V500 PolarHBondContact O-N 3.3Å; D470-V500 HydrophobicContact CB-CG2 3.66Å
501	Y	96.4	Very high	93.9	Very high	13 Å²	13	41.6 Å²	41.6	5%	0.051	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	156.1	-174.7	-57.1	-68.4	0	0	0	112.6	R279 H418 S428 N467 E468	R279-Y501 PolarHBondContact NH2-OH 3.43Å; H418-Y501 HydrophobicContact CB-CD1 4.15Å; H418-Y501 HydrophobicContact CB-CE1 3.91Å; H418-Y501 AromaticContact CE1-CE1 3.87Å; H418-Y501 AromaticContact CE1-CZ 3.56Å; H418-Y501 PolarHBondContact CE1-OH 3.28Å; H418-Y501 AromaticContact CG-CE1 3.5Å; H418-Y501 VanDerWaalsContact CG-CE1 3.5Å; H418-Y501 AromaticContact CG-CZ 3.93Å; H418-Y501 AromaticContact ND1-CE1 3.37Å; H418-Y501 WeakPolarHBondContact ND1-CE1 3.48Å; H418-Y501 AromaticContact ND1-CZ 3.57Å; H418-Y501 PolarHBondContact ND1-OH 3.15Å; H418-Y501 AromaticContact NE2-CZ 3.93Å; S428-Y501 CarbonylContact O-C 3.56Å; S428-Y501 WeakPolarHBondContact O-CA 3.3Å; S428-Y501 WeakPolarHBondContact O-CB 3.4Å; S428-Y501 WeakPolarHBondContact O-CD1 3.45Å; N467-Y501 PolarHBondContact ND2-O 3.36Å; N467-Y501 PolarHBondContact OD1-N 2.89Å; N467-Y501 PolarHBondContact OD1-O 3.44Å; E468-Y501 HydrophobicContact CB-CD2 4.06Å; E468-Y501 HydrophobicContact CB-CE2 3.97Å; E468-Y501 WeakPolarHBondContact OE2-CE2 3.4Å
502	D	96	Very high	94.3	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	172.8	163.9	66.6	6.4	0	0	0	111	M427 S428 R429 G431 T432 S433 S463	M427-D502 WeakPolarHBondContact CA-O 3.48Å; S428-D502 PolarHBondContact N-O 3.03Å; S428-D502 PolarHBondContact O-N 3.35Å; R429-D502 VanDerWaalsContact O-OD1 3.13Å; G431-D502 PolarHBondContact N-OD2 3.24Å; T432-D502 WeakPolarHBondContact CB-OD1 3.04Å; T432-D502 PolarHBondContact N-OD2 3.49Å; T432-D502 VanDerWaalsContact N-OD2 3.13Å; S433-D502 VanDerWaalsContact CB-OD2 3.31Å; S433-D502 WeakPolarHBondContact CB-OD2 3.44Å; S433-D502 PolarHBondContact N-OD2 3.38Å; S433-D502 PolarHBondContact OG-OD2 2.88Å; S463-D502 WeakPolarHBondContact OG-CA 3.29Å
503	V	96.1	Very high	94.8	Very high	11 Å²	11	32.1 Å²	32.1	7%	0.067	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.8	172.8	-51.8	0	0	0	0	110.2	L421 Y425 V426 M427 Q460 D462 S463	L421-V503 HydrophobicContact CD1-CG1 4.43Å; Y425-V503 HydrophobicContact CD1-CB 4.07Å; Y425-V503 HydrophobicContact CD1-CG2 3.87Å; Y425-V503 HydrophobicContact CE1-CG2 4.29Å; V426-V503 CarbonylContact O-C 3.52Å; V426-V503 WeakPolarHBondContact O-CA 3.23Å; M427-V503 HydrophobicContact CG-CG1 4.42Å; Q460-V503 HydrophobicContact CG-CG1 4Å; D462-V503 VanDerWaalsContact C-CG2 3.47Å; D462-V503 WeakPolarHBondContact O-CG1 3.42Å; D462-V503 WeakPolarHBondContact O-CG2 3.49Å; S463-V503 PolarHBondContact OG-N 2.98Å
504	T	97.2	Very high	95.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.1	177.3	-49.6	0	0	0	0	108.7	Y425 V426 S433 A436 F508 V509	Y425-T504 WeakPolarHBondContact CA-O 3.46Å; V426-T504 PolarHBondContact N-O 2.99Å; V426-T504 PolarHBondContact O-N 3.44Å; S433-T504 VanDerWaalsContact CA-OG1 3.27Å; S433-T504 WeakPolarHBondContact CA-OG1 3.47Å; S433-T504 PolarHBondContact N-OG1 3.31Å; A436-T504 HydrophobicContact CB-CG2 3.62Å; T504-F508 HydrophobicContact CG2-CB 4.08Å; T504-F508 HydrophobicContact CG2-CD2 4.32Å; T504-V509 HydrophobicContact CG2-CG2 3.88Å
505	P	96.6	Very high	95.4	Very high	28 Å²	28	26.5 Å²	26.5	18%	0.182	15%	0.146	C	C	.	.			trans	-56.2	147.4	170.8	-26.4	35.1	0	0	0	112.3	Y425 D507 F508	Y425-P505 HydrophobicContact CE1-CB 4.26Å; Y425-P505 HydrophobicContact CE1-CG 4.03Å; Y425-P505 HydrophobicContact CE2-CB 4.49Å; P505-D507 PolarHBondContact O-N 3.1Å; P505-F508 HydrophobicContact CB-CD2 4.32Å; P505-F508 HydrophobicContact CB-CE2 4.35Å; P505-F508 HydrophobicContact CG-CD2 4.19Å; P505-F508 HydrophobicContact CG-CE2 3.96Å; P505-F508 PolarHBondContact O-N 3.23Å
506	P	95.4	Very high	95.6	Very high	24 Å²	24	29.9 Å²	29.9	16%	0.156	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-62	-25.5	-178.9	26.3	-35.9	0	0	0	112.9	Y425 F508 V509 C521	Y425-P506 HydrophobicContact CD2-CG 4.34Å; Y425-P506 HydrophobicContact CE2-CG 4.3Å; P506-F508 PolarHBondContact O-N 2.85Å; P506-V509 PolarHBondContact O-N 3.46Å; P506-V509 VanDerWaalsContact O-O 3.06Å; P506-C521 HydrophobicContact CB-CB 3.67Å
507	D	95.5	Very high	95.7	Very high	115 Å²	115	30.2 Å²	30.2	62%	0.615	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-64.3	-23.3	-178.1	-49.6	-45.3	0	0	0	113.2	K440 P505	K440-D507 WeakPolarHBondContact CE-O 3.35Å; K440-D507 PolarHBondContact NZ-O 2.71Å; P505-D507 PolarHBondContact O-N 3.1Å
508	F	96.6	Very high	95.8	Very high	55 Å²	55	30.5 Å²	30.5	24%	0.241	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-94	5.7	176.2	-50.7	-35.1	0	0	0	113.5	A436 L437 K440 V446 T504 P505 P506	A436-F508 HydrophobicContact CB-CB 3.88Å; L437-F508 HydrophobicContact CB-CD2 4.36Å; L437-F508 HydrophobicContact CB-CE2 4.33Å; L437-F508 HydrophobicContact CD1-CE1 3.86Å; L437-F508 HydrophobicContact CD1-CE2 4.02Å; L437-F508 HydrophobicContact CD1-CZ 3.6Å; K440-F508 HydrophobicContact CB-CD1 4.34Å; K440-F508 HydrophobicContact CG-CD1 4.33Å; V446-F508 WeakPolarHBondContact CB-O 3.4Å; T504-F508 HydrophobicContact CG2-CB 4.08Å; T504-F508 HydrophobicContact CG2-CD2 4.32Å; P505-F508 HydrophobicContact CB-CD2 4.32Å; P505-F508 HydrophobicContact CB-CE2 4.35Å; P505-F508 HydrophobicContact CG-CD2 4.19Å; P505-F508 HydrophobicContact CG-CE2 3.96Å; P505-F508 PolarHBondContact O-N 3.23Å; P506-F508 PolarHBondContact O-N 2.85Å
509	V	97.1	Very high	95.9	Very high	8 Å²	8	31 Å²	31	5%	0.048	17%	0.168	C	C	.	.			trans	-129.6	107.5	-177.7	-180	0	0	0	0	109.8	V426 V446 V448 T504 P506 C521	V426-V509 HydrophobicContact CG2-CB 4.36Å; V426-V509 HydrophobicContact CG2-CG1 4.26Å; V426-V509 HydrophobicContact CG2-CG2 3.84Å; V446-V509 HydrophobicContact CG1-CG2 4.25Å; V448-V509 HydrophobicContact CB-CG1 3.98Å; V448-V509 HydrophobicContact CG2-CG1 3.49Å; V448-V509 VanDerWaalsContact CG2-CG1 3.49Å; V448-V509 HydrophobicContact CG2-CG2 4.17Å; T504-V509 HydrophobicContact CG2-CG2 3.88Å; P506-V509 PolarHBondContact O-N 3.46Å; P506-V509 VanDerWaalsContact O-O 3.06Å; V509-C521 WeakPolarHBondContact CG1-SG 3.44Å
510	D	96	Very high	96	Very high	70 Å²	70	32.8 Å²	32.8	37%	0.374	18%	0.181	S	C	.	.			trans	-78.8	-29.3	-172	-49.8	-73.4	0	0	0	112.5	K440 P445 V446	K440-D510 IonicContact NZ-OD1 3.39Å; K440-D510 PolarHBondContact NZ-OD1 3.37Å; P445-D510 WeakPolarHBondContact CA-OD2 3.43Å; V446-D510 PolarHBondContact N-OD2 3.33Å; V446-D510 PolarHBondContact O-N 2.98Å; V446-D510 VanDerWaalsContact O-N 3.11Å
511	L	96.3	Very high	95.9	Very high	40 Å²	40	32.7 Å²	32.7	21%	0.209	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	138.6	-177.9	-158.6	63.6	0	0	0	113.7	V446 L447 V448 I513 M518	V446-L511 PolarHBondContact O-N 2.86Å; L447-L511 HydrophobicContact CD2-CD2 4.32Å; V448-L511 PolarHBondContact N-O 2.9Å; L511-I513 HydrophobicContact CD2-CG1 4.32Å; L511-M518 HydrophobicContact CD1-CB 4.07Å; L511-M518 HydrophobicContact CD2-CB 4.13Å; L511-M518 HydrophobicContact CD2-CG 4.14Å; L511-M518 HydrophobicContact CD2-SD 3.97Å; L511-M518 HydrophobicContact CG-CB 4.28Å
512	V	97.4	Very high	95.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.2	164.8	179	0	0	0	0	109.3	L420 V448 T514 I519 C521	L420-V512 HydrophobicContact CD1-CB 4.31Å; L420-V512 HydrophobicContact CD1-CG1 3.41Å; L420-V512 VanDerWaalsContact CD1-CG1 3.41Å; L420-V512 HydrophobicContact CD1-CG2 3.9Å; V448-V512 CarbonylContact O-C 3.6Å; V448-V512 WeakPolarHBondContact O-CA 3.41Å; V512-T514 HydrophobicContact CG1-CG2 3.75Å; V512-I519 WeakPolarHBondContact CA-O 3.5Å; V512-I519 HydrophobicContact CB-CG1 4.04Å; V512-I519 WeakPolarHBondContact CB-O 3.45Å; V512-I519 HydrophobicContact CG1-CG1 4.29Å; V512-I519 PolarHBondContact N-O 3.17Å; V512-I519 PolarHBondContact O-N 3.18Å; V512-C521 HydrophobicContact CG2-CB 4.45Å; V512-C521 VanDerWaalsContact CG2-SG 3.57Å
513	I	97.6	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.5	174.9	-46.7	-179.2	0	0	0	108.7	I331 S335 F414 L447 V448 C450 L511	I331-I513 HydrophobicContact CG2-CB 4.4Å; I331-I513 HydrophobicContact CG2-CG2 3.99Å; S335-I513 WeakPolarHBondContact OG-CD1 3.2Å; F414-I513 HydrophobicContact CE1-CD1 4.44Å; L447-I513 HydrophobicContact CD2-CD1 4.15Å; V448-I513 PolarHBondContact O-N 2.67Å; C450-I513 PolarHBondContact N-O 3.18Å; L511-I513 HydrophobicContact CD2-CG1 4.32Å
514	T	96.9	Very high	95.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	170.2	-179.6	73.2	0	0	0	0	110.4	T452 F455 V512 L516 G517 I519	T452-T514 HydrophobicContact CG2-CG2 4.35Å; F455-T514 HydrophobicContact CE1-CG2 4.36Å; F455-T514 HydrophobicContact CZ-CG2 3.68Å; V512-T514 HydrophobicContact CG1-CG2 3.75Å; T514-L516 PolarHBondContact O-N 2.99Å; T514-L516 PolarHBondContact OG1-N 2.95Å; T514-L516 VanDerWaalsContact OG1-N 3.13Å; T514-G517 PolarHBondContact N-O 3.18Å; T514-G517 PolarHBondContact O-N 2.86Å; T514-G517 PolarHBondContact OG1-O 3.07Å; T514-I519 HydrophobicContact CG2-CD1 3.76Å; T514-I519 HydrophobicContact CG2-CG1 4.07Å
515	E	95.1	Very high	95.3	Very high	39 Å²	39	40 Å²	40	18%	0.182	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.9	173.5	78.2	-73.7	173.6	0	0	114	A327 A330 I331 T452 G517 K531	A327-E515 HydrophobicContact CB-CB 3.82Å; A327-E515 HydrophobicContact CB-CG 3.82Å; A330-E515 HydrophobicContact CB-CB 3.97Å; I331-E515 HydrophobicContact CG1-CB 4.38Å; T452-E515 WeakPolarHBondContact CB-OE1 3.07Å; T452-E515 VanDerWaalsContact CG2-OE1 3.24Å; T452-E515 WeakPolarHBondContact CG2-OE1 3.35Å; T452-E515 WeakPolarHBondContact CG2-OE2 3.11Å; T452-E515 PolarHBondContact N-OE2 2.97Å; T452-E515 PolarHBondContact OG1-OE1 3.38Å; E515-G517 VanDerWaalsContact C-N 3.31Å; E515-K531 IonicContact OE1-NZ 2.66Å; E515-K531 PolarHBondContact OE1-NZ 2.93Å
516	L	93.8	Very high	95.1	Very high	98 Å²	98	41.9 Å²	41.9	51%	0.513	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	3.9	168.7	-56	-179.3	0	0	0	112.4	T452 T514 V527	T452-L516 HydrophobicContact CG2-CD1 4.2Å; T452-L516 HydrophobicContact CG2-CG 4.29Å; T514-L516 PolarHBondContact O-N 2.99Å; T514-L516 PolarHBondContact OG1-N 2.95Å; T514-L516 VanDerWaalsContact OG1-N 3.13Å; L516-V527 HydrophobicContact CD1-CB 4.5Å; L516-V527 HydrophobicContact CD1-CG1 3.65Å; L516-V527 HydrophobicContact CD1-CG2 4.16Å
517	G	93.8	Very high	95	Very high	21 Å²	21	41.4 Å²	41.4	22%	0.216	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.9	-162.1	-173.1	0	0	0	0	0	113.4	T514 E515	T514-G517 PolarHBondContact N-O 3.18Å; T514-G517 PolarHBondContact O-N 2.86Å; T514-G517 PolarHBondContact OG1-O 3.07Å; E515-G517 VanDerWaalsContact C-N 3.31Å
518	M	95.4	Very high	94.8	Very high	59 Å²	59	37.3 Å²	37.3	29%	0.291	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.2	-171.9	-58.6	174.8	-165.8	0	0	110.9	S334 K338 L511	S334-M518 WeakPolarHBondContact O-CE 3.08Å; K338-M518 HydrophobicContact CD-CE 4.33Å; K338-M518 HydrophobicContact CD-SD 4.36Å; K338-M518 WeakPolarHBondContact CE-SD 3.44Å; K338-M518 HydrophobicContact CG-CE 3.91Å; K338-M518 HydrophobicContact CG-SD 4.25Å; L511-M518 HydrophobicContact CD1-CB 4.07Å; L511-M518 HydrophobicContact CD2-CB 4.13Å; L511-M518 HydrophobicContact CD2-CG 4.14Å; L511-M518 HydrophobicContact CD2-SD 3.97Å; L511-M518 HydrophobicContact CG-CB 4.28Å
519	I	95.9	Very high	94.4	Very high	24 Å²	24	42.8 Å²	42.8	12%	0.123	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	152.8	-176.3	65.6	178.2	0	0	0	111	F455 V512 T514 V527	F455-I519 HydrophobicContact CE2-CD1 4.34Å; F455-I519 HydrophobicContact CZ-CD1 4.31Å; V512-I519 WeakPolarHBondContact CA-O 3.5Å; V512-I519 HydrophobicContact CB-CG1 4.04Å; V512-I519 WeakPolarHBondContact CB-O 3.45Å; V512-I519 HydrophobicContact CG1-CG1 4.29Å; V512-I519 PolarHBondContact N-O 3.17Å; V512-I519 PolarHBondContact O-N 3.18Å; T514-I519 HydrophobicContact CG2-CD1 3.76Å; T514-I519 HydrophobicContact CG2-CG1 4.07Å; I519-V527 HydrophobicContact CD1-CG2 3.82Å
520	P	95.9	Very high	94	Very high	68 Å²	68	45.8 Å²	45.8	44%	0.442	25%	0.252	S	S	.	.			trans	-71.3	155.1	167.2	31.5	-35.2	0	0	0	110.5	T522 S523	P520-T522 PolarHBondContact O-N 2.57Å; P520-T522 VanDerWaalsContact O-N 3.09Å; P520-S523 WeakPolarHBondContact CG-OG 3.49Å; P520-S523 WeakPolarHBondContact O-CB 3.48Å; P520-S523 PolarHBondContact O-N 3.04Å
521	C	93.4	Very high	93.1	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.034	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-51.2	-35	177.7	-65.2	0	0	0	0	113.6	G424 P506 V509 V512 S523 V524	G424-C521 WeakPolarHBondContact CA-O 3.22Å; G424-C521 WeakPolarHBondContact O-CB 3.28Å; P506-C521 HydrophobicContact CB-CB 3.67Å; V509-C521 WeakPolarHBondContact CG1-SG 3.44Å; V512-C521 HydrophobicContact CG2-CB 4.45Å; V512-C521 VanDerWaalsContact CG2-SG 3.57Å; C521-S523 PolarHBondContact O-N 3.41Å; C521-V524 VanDerWaalsContact O-CG2 3.27Å; C521-V524 WeakPolarHBondContact O-CG2 3.5Å; C521-V524 PolarHBondContact O-N 2.94Å
522	T	92.7	Very high	92	Very high	97 Å²	97	46.4 Å²	46.4	60%	0.595	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-70.3	-12.3	-179.3	52.1	0	0	0	0	114.3	P520 P525	P520-T522 PolarHBondContact O-N 2.57Å; P520-T522 VanDerWaalsContact O-N 3.09Å; T522-P525 WeakPolarHBondContact O-CD 3.46Å
523	S	94.8	Very high	90.2	Very high	35 Å²	35	51.9 Å²	51.9	25%	0.245	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-85.6	-6.6	178.7	-70.8	0	0	0	0	114.5	P520 C521 V526 V527	P520-S523 WeakPolarHBondContact CG-OG 3.49Å; P520-S523 WeakPolarHBondContact O-CB 3.48Å; P520-S523 PolarHBondContact O-N 3.04Å; C521-S523 PolarHBondContact O-N 3.41Å; S523-V526 WeakPolarHBondContact O-CA 3.42Å; S523-V526 WeakPolarHBondContact O-CB 3.22Å; S523-V526 PolarHBondContact O-N 2.78Å; S523-V527 PolarHBondContact O-N 3.19Å; S523-V527 VanDerWaalsContact O-N 3.11Å
524	V	93.2	Very high	87.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-46.8	-49.8	175.9	170.5	0	0	0	0	114	L420 L421 F455 C521 V526 V527 L528	L420-V524 HydrophobicContact CB-CG1 4.4Å; L420-V524 HydrophobicContact CB-CG2 3.93Å; L420-V524 HydrophobicContact CD1-CG2 3.99Å; L421-V524 WeakPolarHBondContact O-CG1 3.44Å; F455-V524 HydrophobicContact CB-CG1 4.23Å; F455-V524 HydrophobicContact CD2-CB 4.29Å; F455-V524 HydrophobicContact CD2-CG1 3.74Å; F455-V524 HydrophobicContact CD2-CG2 4.34Å; F455-V524 HydrophobicContact CE2-CB 4.31Å; F455-V524 HydrophobicContact CE2-CG1 4.23Å; F455-V524 HydrophobicContact CE2-CG2 4.01Å; F455-V524 HydrophobicContact CG-CG1 4.04Å; F455-V524 HydrophobicContact CZ-CG2 4.24Å; C521-V524 VanDerWaalsContact O-CG2 3.27Å; C521-V524 WeakPolarHBondContact O-CG2 3.5Å; C521-V524 PolarHBondContact O-N 2.94Å; V524-V526 VanDerWaalsContact C-N 3.29Å; V524-V526 PolarHBondContact O-N 3.4Å; V524-V527 PolarHBondContact O-N 3.23Å; V524-L528 HydrophobicContact CG1-CD1 4.23Å; V524-L528 PolarHBondContact O-N 2.86Å
525	P	92.5	Very high	85.3	Confident	54 Å²	54	63 Å²	63	35%	0.351	34%	0.343	S	S	.	.	H	α-helix	trans	-67.3	-25.8	177.9	26.4	-35.9	0	0	0	113.8	A422 T522 R529	A422-P525 WeakPolarHBondContact O-CD 3.41Å; A422-P525 WeakPolarHBondContact O-CG 3.18Å; T522-P525 WeakPolarHBondContact O-CD 3.46Å; P525-R529 WeakPolarHBondContact O-CB 3.34Å; P525-R529 PolarHBondContact O-N 2.93Å
526	V	92.8	Very high	84.8	Confident	68 Å²	68	64.2 Å²	64.2	41%	0.412	35%	0.351	S	S	.	.	H	α-helix	trans	-68.6	-45.6	174.8	-175.4	0	0	0	0	109.8	S523 V524 R529 V530	S523-V526 WeakPolarHBondContact O-CA 3.42Å; S523-V526 WeakPolarHBondContact O-CB 3.22Å; S523-V526 PolarHBondContact O-N 2.78Å; V524-V526 VanDerWaalsContact C-N 3.29Å; V524-V526 PolarHBondContact O-N 3.4Å; V526-R529 PolarHBondContact O-N 3.29Å; V526-V530 WeakPolarHBondContact O-CG2 3.48Å; V526-V530 PolarHBondContact O-N 2.92Å
527	V	92.4	Very high	84.3	Confident	14 Å²	14	62.4 Å²	62.4	9%	0.085	34%	0.342	C	S	.	.	H	α-helix	trans	-62.5	-43.9	176	174.1	0	0	0	0	111.5	T452 F455 L516 I519 S523 V524 R529 V530 K531	T452-V527 HydrophobicContact CG2-CG1 3.67Å; F455-V527 HydrophobicContact CD2-CB 4.14Å; F455-V527 HydrophobicContact CD2-CG1 3.97Å; F455-V527 HydrophobicContact CE2-CB 3.84Å; F455-V527 HydrophobicContact CE2-CG1 3.75Å; F455-V527 HydrophobicContact CE2-CG2 4.25Å; L516-V527 HydrophobicContact CD1-CB 4.5Å; L516-V527 HydrophobicContact CD1-CG1 3.65Å; L516-V527 HydrophobicContact CD1-CG2 4.16Å; I519-V527 HydrophobicContact CD1-CG2 3.82Å; S523-V527 PolarHBondContact O-N 3.19Å; S523-V527 VanDerWaalsContact O-N 3.11Å; V524-V527 PolarHBondContact O-N 3.23Å; V527-R529 VanDerWaalsContact C-N 3.3Å; V527-R529 PolarHBondContact O-N 2.69Å; V527-V530 PolarHBondContact O-N 3.37Å; V527-K531 HydrophobicContact CG1-CG 4.48Å; V527-K531 PolarHBondContact O-N 3.43Å
528	L	90.7	Very high	83.8	Confident	29 Å²	29	64.7 Å²	64.7	15%	0.152	35%	0.349	C	S	.	.	H	α-helix	trans	-57.8	-42.4	173.9	-76.2	172	0	0	0	111.7	F455 V524 N532	F455-L528 HydrophobicContact CB-CD1 4.31Å; F455-L528 HydrophobicContact CB-CD2 3.63Å; F455-L528 HydrophobicContact CB-CG 3.95Å; F455-L528 HydrophobicContact CD2-CG 4.42Å; V524-L528 HydrophobicContact CG1-CD1 4.23Å; V524-L528 PolarHBondContact O-N 2.86Å; L528-N532 VanDerWaalsContact O-CB 3.26Å; L528-N532 WeakPolarHBondContact O-CB 3.47Å; L528-N532 PolarHBondContact O-N 3.28Å; L528-N532 PolarHBondContact O-ND2 2.63Å
529	R	88.9	Confident	83.1	Confident	170 Å²	170	65.1 Å²	65.1	64%	0.642	35%	0.353	S	S	*	.	H	α-helix	trans	-64.5	-46.5	177.6	-175.9	178.3	64.3	-172.9	-1	112.3	P525 V526 V527 N532 V533	P525-R529 WeakPolarHBondContact O-CB 3.34Å; P525-R529 PolarHBondContact O-N 2.93Å; V526-R529 PolarHBondContact O-N 3.29Å; V527-R529 VanDerWaalsContact C-N 3.3Å; V527-R529 PolarHBondContact O-N 2.69Å; R529-N532 PolarHBondContact O-N 3.07Å; R529-V533 WeakPolarHBondContact O-CG2 3.3Å; R529-V533 PolarHBondContact O-N 3.01Å
530	V	87.5	Confident	82.3	Confident	70 Å²	70	67.6 Å²	67.6	42%	0.424	37%	0.367	S	S	.	.	H	α-helix	trans	-60.7	-51.5	178.2	174.2	0	0	0	0	110.1	V526 V527 N532 V533 D534	V526-V530 WeakPolarHBondContact O-CG2 3.48Å; V526-V530 PolarHBondContact O-N 2.92Å; V527-V530 PolarHBondContact O-N 3.37Å; V530-N532 PolarHBondContact O-N 3.32Å; V530-V533 PolarHBondContact O-N 2.7Å; V530-D534 WeakPolarHBondContact CG1-OD2 3.43Å; V530-D534 PolarHBondContact O-N 3.28Å; V530-D534 VanDerWaalsContact O-N 3.12Å
531	K	77.9	Confident	81.4	Confident	35 Å²	35	67.6 Å²	67.6	15%	0.152	36%	0.362	C	S	.	.	H	α-helix	trans	-65.8	-20.9	179.9	-67.7	-151.5	177.3	-161.8	0	114.9	T452 E515 V527 Q535	T452-K531 VanDerWaalsContact OG1-CE 3.3Å; T452-K531 WeakPolarHBondContact OG1-CE 3.37Å; T452-K531 PolarHBondContact OG1-NZ 2.92Å; E515-K531 IonicContact OE1-NZ 2.66Å; E515-K531 PolarHBondContact OE1-NZ 2.93Å; V527-K531 HydrophobicContact CG1-CG 4.48Å; V527-K531 PolarHBondContact O-N 3.43Å; K531-Q535 WeakPolarHBondContact O-CB 3.26Å; K531-Q535 VanDerWaalsContact O-CD 3.27Å; K531-Q535 WeakPolarHBondContact O-CG 3.25Å; K531-Q535 PolarHBondContact O-NE2 3.36Å
532	N	73.5	Confident	80.5	Confident	88 Å²	88	72.1 Å²	72.1	47%	0.471	39%	0.386	S	S	.	.	H	α-helix	trans	-83.9	-11.5	172.6	-76.9	-6.4	0	0	0	113.5	L528 R529 V530	L528-N532 VanDerWaalsContact O-CB 3.26Å; L528-N532 WeakPolarHBondContact O-CB 3.47Å; L528-N532 PolarHBondContact O-N 3.28Å; L528-N532 PolarHBondContact O-ND2 2.63Å; R529-N532 PolarHBondContact O-N 3.07Å; V530-N532 PolarHBondContact O-N 3.32Å
533	V	58.7	Low	79.6	Confident	115 Å²	115	70.2 Å²	70.2	70%	0.697	37%	0.37	S	S	*	.	H	α-helix	trans	-92.6	-35.5	173	172.1	0	0	0	0	110.6	R529 V530 Q535	R529-V533 WeakPolarHBondContact O-CG2 3.3Å; R529-V533 PolarHBondContact O-N 3.01Å; V530-V533 PolarHBondContact O-N 2.7Å; V533-Q535 PolarHBondContact O-N 2.73Å
534	D	47.1	Very low	78.3	Confident	123 Å²	123	73.1 Å²	73.1	66%	0.658	38%	0.38	S	S	*	.			trans	-79.7	2.8	177.8	-54.7	-35.5	0	0	0	114	V530	V530-D534 WeakPolarHBondContact CG1-OD2 3.43Å; V530-D534 PolarHBondContact O-N 3.28Å; V530-D534 VanDerWaalsContact O-N 3.12Å
535	Q	44.5	Very low	77	Confident	111 Å²	111	79.7 Å²	79.7	52%	0.519	42%	0.415	S	S	.	.			trans	-127.5	0	-176.4	-74.7	177.9	46.7	0	0	113	K294 K531 V533	K294-Q535 PolarHBondContact NZ-O 3.06Å; K294-Q535 PolarHBondContact NZ-OXT 2.91Å; K531-Q535 WeakPolarHBondContact O-CB 3.26Å; K531-Q535 VanDerWaalsContact O-CD 3.27Å; K531-Q535 WeakPolarHBondContact O-CG 3.25Å; K531-Q535 PolarHBondContact O-NE2 3.36Å; V533-Q535 PolarHBondContact O-N 2.73Å

Retrieved 535 of 535 residues in 261.2 ms (Link to these results)

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