A0A087YPA2_POEFO Loading...

Prenylcysteine oxidase 1

Prenylcysteine oxidase that cleaves the thioether bond of prenyl-L-cysteines, such as farnesylcysteine and geranylgeranylcysteine. Only active against free prenylcysteines and not prenylcysteine residues within prenylated proteins or peptides. Involved in the final step in the degradation of prenylated proteins, by degrading prenylcysteines after the protein has been degraded.

AlphaFold DB , UniProt , Accession A0A087YPA2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 509 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	34.7	Very low	236 Å²	236	161.8 Å²	161.8	100%	1.163	81%	0.808	S	S	*	*				0	111.9	0	-91.9	164.3	82.4	0	0	109.6
2	T	29.1	Very low	35	Very low	123 Å²	123	157.8 Å²	157.8	76%	0.755	79%	0.791	S	S	*	*			trans	48.9	95.7	152.3	46.6	0	0	0	0	120
3	L	32.3	Very low	34.9	Very low	167 Å²	167	158.5 Å²	158.5	87%	0.874	79%	0.786	S	S	*	*			trans	-51.9	127.8	139	-108.4	76.9	0	0	0	109
4	R	33.8	Very low	34.8	Very low	229 Å²	229	158.2 Å²	158.2	86%	0.864	79%	0.788	S	S	*	*			trans	-114.3	109.8	158.7	-90.8	-173.2	174.8	-176.6	-0.6	108.7
5	T	39.2	Very low	34.7	Very low	129 Å²	129	151.9 Å²	151.9	79%	0.791	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-61	119.6	169.9	45.4	0	0	0	0	111
6	F	32.8	Very low	34.7	Very low	203 Å²	203	150.3 Å²	150.3	89%	0.89	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-87.6	125.2	157.8	-94.1	-87	0	0	0	109
7	S	38.8	Very low	34.6	Very low	77 Å²	77	155.4 Å²	155.4	54%	0.538	78%	0.779	S	S	.	*	P	Polyproline II helix	trans	-65.4	132.9	-176.8	171.8	0	0	0	0	111.9	R9 T10	S7-R9 PolarHBondContact O-N 2.87Å; S7-R9 PolarHBondContact OG-N 3.14Å; S7-T10 PolarHBondContact O-N 3.35Å
8	L	34.3	Very low	34.5	Very low	154 Å²	154	157.6 Å²	157.6	81%	0.806	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-5.7	174.7	-135.8	82.9	0	0	0	114.3
9	R	36.8	Very low	34.5	Very low	204 Å²	204	154.7 Å²	154.7	77%	0.77	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-14.3	-179.5	-80.5	-173	169.4	-177.2	-2.9	115.2	S7	S7-R9 PolarHBondContact O-N 2.87Å; S7-R9 PolarHBondContact OG-N 3.14Å
10	T	37.6	Very low	34.6	Very low	98 Å²	98	150.6 Å²	150.6	60%	0.601	78%	0.781	S	S	*	*	S	Bend	trans	-93.1	-20	-174.3	-28.5	0	0	0	0	113.7	S7 L12	S7-T10 PolarHBondContact O-N 3.35Å; T10-L12 VanDerWaalsContact C-N 3.35Å
11	L	34.6	Very low	34.6	Very low	160 Å²	160	153.5 Å²	153.5	84%	0.838	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-13.5	172.7	-96.9	144.5	0	0	0	113.3
12	L	37.3	Very low	34.7	Very low	114 Å²	114	153.9 Å²	153.9	60%	0.597	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-10.2	176.7	-99.6	148.7	0	0	0	114	T10	T10-L12 VanDerWaalsContact C-N 3.35Å
13	F	34.6	Very low	34.8	Very low	167 Å²	167	153.4 Å²	153.4	73%	0.732	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-9.2	-178.6	-93.3	-83.3	0	0	0	115.4
14	L	33.1	Very low	34.9	Very low	154 Å²	154	153.9 Å²	153.9	81%	0.806	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-12.9	174.4	-92.7	119.4	0	0	0	114.4	L16	L14-L16 VanDerWaalsContact C-N 3.33Å
15	G	33.2	Very low	35	Very low	63 Å²	63	146.9 Å²	146.9	65%	0.649	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-8.9	170	0	0	0	0	0	114.5
16	L	34.9	Very low	34.7	Very low	126 Å²	126	146 Å²	146	66%	0.66	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	10.9	-176.7	-86.6	160.2	0	0	0	113.9	L14	L14-L16 VanDerWaalsContact C-N 3.33Å
17	W	32.7	Very low	34.9	Very low	238 Å²	238	140.4 Å²	140.4	90%	0.902	76%	0.761	S	S	*	*	S	Bend	trans	-125.5	22.8	-178.3	-128.5	17.3	0	0	0	115.2
18	Q	33.8	Very low	35	Very low	194 Å²	194	142.2 Å²	142.2	91%	0.907	77%	0.771	S	S	*	*	S	Bend	trans	-136.4	23.7	170.5	-82.2	-156.5	-12	0	0	115.4
19	S	34.6	Very low	35.6	Very low	104 Å²	104	141.6 Å²	141.6	73%	0.727	76%	0.764	S	S	*	*	S	Bend	trans	-118.6	24	167.3	58.1	0	0	0	0	112.9
20	G	36	Very low	36.5	Very low	72 Å²	72	140.6 Å²	140.6	74%	0.742	77%	0.768	S	S	*	*			trans	-113.3	35.8	-175.6	0	0	0	0	0	114.5
21	K	35	Very low	38	Very low	211 Å²	211	138 Å²	138	92%	0.917	75%	0.751	S	S	*	*			trans	-149.5	57.1	166.5	-80.7	-171.4	180	173.4	0	110.4
22	R	33.8	Very low	40.3	Very low	245 Å²	245	137.3 Å²	137.3	93%	0.925	74%	0.743	S	S	*	*			trans	-80.7	125	150.5	-92.7	-177.1	176	178.2	-1.2	106.5	L24	R22-L24 PolarHBondContact O-N 3.09Å
23	S	30.6	Very low	42.8	Very low	112 Å²	112	135.6 Å²	135.6	78%	0.783	73%	0.732	S	S	*	*			trans	-32.4	132.7	172.9	-151.6	0	0	0	0	111.4	A25	S23-A25 PolarHBondContact O-N 2.93Å
24	L	34.6	Very low	45.7	Very low	178 Å²	178	127.8 Å²	127.8	93%	0.932	70%	0.698	S	S	*	*			trans	-63.1	73	160.6	-79.1	155.3	0	0	0	107.6	R22 S26	R22-L24 PolarHBondContact O-N 3.09Å; L24-S26 PolarHBondContact O-N 3.34Å
25	A	36.4	Very low	48.6	Very low	82 Å²	82	127.5 Å²	127.5	68%	0.678	69%	0.69	S	S	*	*			trans	-64.1	116.4	152.1	0	0	0	0	0	104.3	S23 A27	S23-A25 PolarHBondContact O-N 2.93Å; A25-A27 PolarHBondContact O-N 3.25Å
26	S	34.1	Very low	51.7	Low	110 Å²	110	126.3 Å²	126.3	77%	0.769	67%	0.667	S	S	*	*			trans	-40.9	114.5	169.5	47.3	0	0	0	0	108.7	L24	L24-S26 PolarHBondContact O-N 3.34Å
27	A	35.5	Very low	54.7	Low	86 Å²	86	120.3 Å²	120.3	71%	0.711	64%	0.636	S	S	*	*			trans	-50.8	129.4	164.3	0	0	0	0	0	106.1	A25 E29	A25-A27 PolarHBondContact O-N 3.25Å; A27-E29 PolarHBondContact O-N 2.89Å; A27-E29 VanDerWaalsContact O-N 3.08Å
28	P	41.7	Very low	57.8	Low	114 Å²	114	109 Å²	109	74%	0.74	59%	0.593	S	S	*	*			trans	-52.5	127	175.8	20.6	-29.4	0	0	0	106.6	Q30	P28-Q30 PolarHBondContact O-N 3.27Å
29	E	46.2	Very low	60.9	Low	142 Å²	142	99.8 Å²	99.8	66%	0.664	55%	0.55	S	S	*	.			trans	-47.9	106.9	172.1	-86.2	-174.7	151	0	0	106.5	A27 L31 R286	A27-E29 PolarHBondContact O-N 2.89Å; A27-E29 VanDerWaalsContact O-N 3.08Å; E29-L31 PolarHBondContact O-N 3.48Å; E29-R286 IonicContact OE2-CZ 3.91Å; E29-R286 IonicContact OE2-NE 2.77Å; E29-R286 IonicContact OE2-NH2 3.65Å; E29-R286 PolarHBondContact OE2-NH2 2.86Å
30	Q	56.4	Low	64	Low	182 Å²	182	95.2 Å²	95.2	85%	0.85	52%	0.517	S	S	*	.			trans	-59.5	107.9	179.3	-84.5	-178	-26.4	0	0	106.3	P28 E32	P28-Q30 PolarHBondContact O-N 3.27Å; Q30-E32 PolarHBondContact O-N 2.98Å
31	L	68.5	Low	67	Low	45 Å²	45	92.3 Å²	92.3	24%	0.236	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-50.6	127.8	173	-85.7	140.7	0	0	0	107.8	E29 Q33 W489 E491	E29-L31 PolarHBondContact O-N 3.48Å; L31-Q33 PolarHBondContact O-N 3.42Å; L31-W489 WeakPolarHBondContact CD1-O 3.45Å; L31-E491 HydrophobicContact CD1-CG 4.34Å
32	E	83.5	Confident	70	Confident	145 Å²	145	82.2 Å²	82.2	68%	0.678	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-51.1	137.9	174.3	-76.1	-174.7	-179	0	0	109.1	Q30 W489	Q30-E32 PolarHBondContact O-N 2.98Å; E32-W489 VanDerWaalsContact O-CZ2 3.25Å; E32-W489 WeakPolarHBondContact O-CZ2 3.33Å; E32-W489 PolarHBondContact O-NE1 2.87Å
33	Q	90.1	Very high	73.1	Confident	77 Å²	77	71.3 Å²	71.3	36%	0.36	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-61.4	151	178.3	-66.3	-60	-13.8	0	0	110.9	L31 K35 F57 H490	L31-Q33 PolarHBondContact O-N 3.42Å; Q33-K35 PolarHBondContact O-N 2.97Å; Q33-F57 VanDerWaalsContact OE1-CD1 3.26Å; Q33-H490 PolarHBondContact NE2-CE1 2.91Å; Q33-H490 VanDerWaalsContact NE2-CE1 3.28Å; Q33-H490 PolarHBondContact NE2-NE2 3.37Å; Q33-H490 PolarHBondContact OE1-NE2 3.21Å
34	P	93.9	Very high	76.3	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.019	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-58.7	141	173.3	26.8	-33.2	0	0	0	109.3	I37 F57 V61 D309 I310 W489	P34-I37 HydrophobicContact CB-CG1 4.35Å; P34-I37 HydrophobicContact CG-CD1 4.01Å; P34-I37 HydrophobicContact CG-CG1 4.31Å; P34-F57 HydrophobicContact CG-CD1 3.44Å; P34-F57 VanDerWaalsContact CG-CD1 3.44Å; P34-F57 HydrophobicContact CG-CE1 3.58Å; P34-F57 HydrophobicContact CG-CG 4.01Å; P34-F57 HydrophobicContact CG-CZ 4.24Å; P34-V61 HydrophobicContact CG-CG2 4.23Å; P34-V61 WeakPolarHBondContact O-CG2 3.38Å; P34-D309 HydrophobicContact CB-CB 3.94Å; P34-I310 HydrophobicContact CB-CD1 4.05Å; P34-I310 HydrophobicContact CB-CG1 4.45Å; P34-I310 HydrophobicContact CG-CD1 3.94Å; P34-W489 HydrophobicContact CB-CD2 4.42Å; P34-W489 HydrophobicContact CB-CE3 4.27Å; P34-W489 HydrophobicContact CB-CH2 3.69Å; P34-W489 HydrophobicContact CB-CZ2 3.87Å; P34-W489 HydrophobicContact CB-CZ3 3.89Å; P34-W489 HydrophobicContact CG-CD2 4.44Å; P34-W489 HydrophobicContact CG-CZ2 4.47Å
35	K	94.7	Very high	79.3	Confident	148 Å²	148	58.4 Å²	58.4	64%	0.643	33%	0.331	S	S	*	.	S	Bend	trans	-81	-42.1	-179.9	-64	-175.7	179.3	-177.4	0	110.6	Q33 K62 D309	Q33-K35 PolarHBondContact O-N 2.97Å; K35-K62 PolarHBondContact O-N 3.3Å; K35-D309 WeakPolarHBondContact CB-OD2 3.3Å; K35-D309 PolarHBondContact N-OD2 3.06Å
36	K	97.6	Very high	82.3	Confident	39 Å²	39	54.6 Å²	54.6	17%	0.17	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	130.3	-174.8	-147.5	-174.5	-172.2	-155	0	112.5	K62 D64 L307 Y308 D309	K36-K62 CarbonylContact C-O 3.52Å; K36-K62 WeakPolarHBondContact CA-O 3.33Å; K36-K62 HydrophobicContact CG-CB 4.12Å; K36-K62 HydrophobicContact CG-CD 4.37Å; K36-K62 HydrophobicContact CG-CG 4.06Å; K36-D64 WeakPolarHBondContact CE-OD2 3.48Å; K36-D64 IonicContact NZ-OD2 2.9Å; K36-D64 PolarHBondContact NZ-OD2 3.4Å; K36-L307 WeakPolarHBondContact CD-O 3.25Å; K36-Y308 HydrophobicContact CB-CD1 3.96Å; K36-Y308 HydrophobicContact CB-CE1 4.43Å; K36-Y308 HydrophobicContact CD-CD1 3.67Å; K36-Y308 HydrophobicContact CD-CE1 3.36Å; K36-Y308 VanDerWaalsContact CE-CE1 3.47Å; K36-Y308 HydrophobicContact CG-CD1 3.6Å; K36-Y308 HydrophobicContact CG-CE1 3.57Å; K36-Y308 PolarHBondContact NZ-OH 3.35Å; K36-D309 PolarHBondContact N-OD2 2.98Å; K36-D309 PolarHBondContact O-N 3.48Å
37	I	98.8	Very high	85.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.1	175.5	-52.7	-178.9	0	0	0	109.3	P34 L53 F57 V61 K62 I63 D64 Y308 I310	P34-I37 HydrophobicContact CB-CG1 4.35Å; P34-I37 HydrophobicContact CG-CD1 4.01Å; P34-I37 HydrophobicContact CG-CG1 4.31Å; I37-L53 HydrophobicContact CD1-CD2 4.23Å; I37-L53 HydrophobicContact CG2-CD1 3.86Å; I37-F57 HydrophobicContact CD1-CD2 3.76Å; I37-F57 HydrophobicContact CD1-CE2 4.01Å; I37-F57 HydrophobicContact CD1-CG 4.23Å; I37-V61 HydrophobicContact CD1-CG2 3.72Å; I37-V61 HydrophobicContact CG1-CG2 3.66Å; I37-K62 PolarHBondContact N-O 2.99Å; I37-I63 HydrophobicContact CB-CG1 4.5Å; I37-I63 WeakPolarHBondContact O-CA 3.4Å; I37-D64 PolarHBondContact O-N 3.3Å; I37-Y308 VanDerWaalsContact C-CD1 3.44Å; I37-I310 WeakPolarHBondContact CA-O 3.45Å; I37-I310 HydrophobicContact CB-CB 4.45Å; I37-I310 HydrophobicContact CD1-CD1 4.04Å; I37-I310 HydrophobicContact CG1-CB 4.07Å; I37-I310 HydrophobicContact CG1-CD1 4.31Å; I37-I310 HydrophobicContact CG2-CB 3.98Å; I37-I310 HydrophobicContact CG2-CG2 4.04Å
38	A	98.9	Very high	88.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	137.9	171.1	0	0	0	0	0	110.7	D64 F66 L295 Y308 I310 V311 V312	A38-D64 CarbonylContact C-O 3.55Å; A38-D64 WeakPolarHBondContact CA-O 3.4Å; A38-F66 HydrophobicContact CB-CD2 4.42Å; A38-F66 HydrophobicContact CB-CE2 4.1Å; A38-L295 HydrophobicContact CB-CD2 3.55Å; A38-Y308 HydrophobicContact CB-CD1 3.55Å; A38-Y308 HydrophobicContact CB-CD2 3.86Å; A38-Y308 HydrophobicContact CB-CE1 3.67Å; A38-Y308 HydrophobicContact CB-CE2 3.97Å; A38-Y308 HydrophobicContact CB-CG 3.65Å; A38-Y308 VanDerWaalsContact N-CD1 3.33Å; A38-I310 PolarHBondContact N-O 3.46Å; A38-V311 HydrophobicContact CB-CG1 4.47Å; A38-V311 HydrophobicContact CB-CG2 4.33Å; A38-V311 CarbonylContact O-C 3.59Å; A38-V311 WeakPolarHBondContact O-CA 3.3Å; A38-V312 PolarHBondContact O-N 2.9Å
39	V	98.9	Very high	91.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.6	165.4	-175.1	0	0	0	0	108.6	A49 A50 L53 I63 D64 V65 F66 V312 A314	V39-A49 HydrophobicContact CG1-CB 4.47Å; V39-A50 HydrophobicContact CG2-CB 4.4Å; V39-L53 HydrophobicContact CG2-CD1 3.85Å; V39-I63 HydrophobicContact CG2-CG2 4.28Å; V39-D64 PolarHBondContact N-O 3.05Å; V39-V65 HydrophobicContact CB-CG1 4.46Å; V39-V65 HydrophobicContact CB-CG2 4.17Å; V39-V65 CarbonylContact O-C 3.49Å; V39-V65 WeakPolarHBondContact O-CA 3.42Å; V39-F66 PolarHBondContact O-N 3.41Å; V39-V312 CarbonylContact C-O 3.59Å; V39-V312 VanDerWaalsContact CA-O 3.31Å; V39-V312 WeakPolarHBondContact CA-O 3.44Å; V39-V312 HydrophobicContact CG2-CB 4.4Å; V39-A314 HydrophobicContact CG1-CB 4.15Å
40	I	98.7	Very high	93.6	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.046	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	104.3	-175.6	-52.9	177.5	0	0	0	109.8	V274 I277 L295 V311 V312 I313 A314 T315 I324	I40-V274 HydrophobicContact CD1-CB 4.19Å; I40-V274 HydrophobicContact CD1-CG1 3.94Å; I40-V274 HydrophobicContact CD1-CG2 4.05Å; I40-V274 HydrophobicContact CG1-CG2 4.07Å; I40-V274 HydrophobicContact CG2-CB 4.07Å; I40-V274 HydrophobicContact CG2-CG2 3.91Å; I40-I277 HydrophobicContact CD1-CD1 3.71Å; I40-I277 HydrophobicContact CD1-CG1 4.34Å; I40-L295 HydrophobicContact CD1-CD2 3.99Å; I40-L295 HydrophobicContact CG1-CD2 4.27Å; I40-V311 HydrophobicContact CD1-CG1 4.01Å; I40-V312 PolarHBondContact N-O 3.12Å; I40-I313 HydrophobicContact CD1-CG1 4.28Å; I40-A314 CarbonylContact O-C 3.25Å; I40-A314 VanDerWaalsContact O-C 3.23Å; I40-A314 WeakPolarHBondContact O-CA 3.42Å; I40-A314 VanDerWaalsContact O-CB 3.29Å; I40-A314 WeakPolarHBondContact O-CB 3.45Å; I40-A314 PolarHBondContact O-N 2.87Å; I40-T315 HydrophobicContact CG2-CG2 3.99Å; I40-T315 PolarHBondContact O-N 2.72Å; I40-T315 VanDerWaalsContact O-N 3.14Å; I40-I324 HydrophobicContact CG2-CD1 4.08Å
41	G	98.4	Very high	95.6	Very high	10 Å²	10	25.5 Å²	25.5	10%	0.103	13%	0.126	C	C	.	.			trans	112	129.2	-176.4	0	0	0	0	0	111.7	G46 F66	G41-G46 WeakPolarHBondContact O-CA 3.29Å; G41-F66 VanDerWaalsContact CA-O 3.31Å; G41-F66 WeakPolarHBondContact CA-O 3.43Å; G41-F66 PolarHBondContact N-O 2.9Å
42	A	98.4	Very high	97.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.			trans	-106	32.9	178	0	0	0	0	0	113	T47 V65 E67 V71 G72 L262 L269	A42-T47 HydrophobicContact CB-CG2 4.13Å; A42-T47 WeakPolarHBondContact O-CG2 3.46Å; A42-V65 HydrophobicContact CB-CG1 3.9Å; A42-E67 HydrophobicContact CB-CB 3.57Å; A42-E67 HydrophobicContact CB-CG 3.81Å; A42-E67 PolarHBondContact N-OE2 3.49Å; A42-V71 HydrophobicContact CB-CB 4.48Å; A42-V71 HydrophobicContact CB-CG1 4.42Å; A42-V71 HydrophobicContact CB-CG2 4.06Å; A42-G72 PolarHBondContact O-N 2.85Å; A42-L262 HydrophobicContact CB-CD1 4.45Å; A42-L269 HydrophobicContact CB-CD1 4.2Å
43	G	98.2	Very high	97.8	Very high	16 Å²	16	16.8 Å²	16.8	17%	0.165	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-72	-178.7	162.4	0	0	0	0	0	112.3	G45 G46 T47	G43-G45 VanDerWaalsContact C-N 3.31Å; G43-G45 PolarHBondContact O-N 3.02Å; G43-G46 PolarHBondContact O-N 3.41Å; G43-G46 VanDerWaalsContact O-N 3.15Å; G43-T47 WeakPolarHBondContact O-CG2 3.5Å; G43-T47 PolarHBondContact O-N 2.83Å; G43-T47 PolarHBondContact O-OG1 3.32Å
44	I	98.5	Very high	98.2	Very high	13 Å²	13	14.8 Å²	14.8	7%	0.067	7%	0.073	C	C	.	.	H	α-helix	trans	-56.6	-41.5	-178.5	-172.8	59.6	0	0	0	113.1	T47 A48 L75 M99 V257 C258 L261 V475	I44-T47 PolarHBondContact O-OG1 2.97Å; I44-A48 WeakPolarHBondContact O-CB 3.31Å; I44-A48 PolarHBondContact O-N 3.34Å; I44-L75 HydrophobicContact CB-CD1 3.84Å; I44-L75 HydrophobicContact CG1-CD1 4.34Å; I44-L75 HydrophobicContact CG2-CD1 4.33Å; I44-M99 HydrophobicContact CD1-CE 4.46Å; I44-M99 HydrophobicContact CD1-SD 3.84Å; I44-M99 HydrophobicContact CG1-SD 4.06Å; I44-V257 HydrophobicContact CD1-CB 4.3Å; I44-V257 HydrophobicContact CD1-CG1 3.75Å; I44-C258 VanDerWaalsContact CA-SG 3.51Å; I44-C258 PolarHBondContact N-SG 3.2Å; I44-L261 HydrophobicContact CD1-CD1 4.03Å; I44-V475 HydrophobicContact CD1-CG2 4.15Å; I44-V475 HydrophobicContact CG1-CG2 3.62Å
45	G	98.4	Very high	98.4	Very high	6 Å²	6	19.2 Å²	19.2	6%	0.062	9%	0.094	C	C	.	.	H	α-helix	trans	-63.8	-43	176.9	0	0	0	0	0	113.2	G43 A49 L461 A478	G43-G45 VanDerWaalsContact C-N 3.31Å; G43-G45 PolarHBondContact O-N 3.02Å; G45-A49 VanDerWaalsContact O-CB 3.29Å; G45-A49 WeakPolarHBondContact O-CB 3.43Å; G45-A49 PolarHBondContact O-N 2.94Å; G45-L461 WeakPolarHBondContact O-CD2 3.36Å; G45-A478 VanDerWaalsContact O-CB 3.24Å; G45-A478 WeakPolarHBondContact O-CB 2.82Å
46	G	98.7	Very high	98.5	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-73	-41.6	-179	0	0	0	0	0	113.3	G41 G43 A49 A50 A314	G41-G46 WeakPolarHBondContact O-CA 3.29Å; G43-G46 PolarHBondContact O-N 3.41Å; G43-G46 VanDerWaalsContact O-N 3.15Å; G46-A49 WeakPolarHBondContact O-CB 3.33Å; G46-A49 PolarHBondContact O-N 3.45Å; G46-A50 PolarHBondContact O-N 3.32Å; G46-A314 VanDerWaalsContact CA-CB 3.42Å
47	T	98.8	Very high	98.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-68.1	-37.4	176.2	56.8	0	0	0	0	112.1	A42 G43 I44 A50 Y51 C258 L262	A42-T47 HydrophobicContact CB-CG2 4.13Å; A42-T47 WeakPolarHBondContact O-CG2 3.46Å; G43-T47 WeakPolarHBondContact O-CG2 3.5Å; G43-T47 PolarHBondContact O-N 2.83Å; G43-T47 PolarHBondContact O-OG1 3.32Å; I44-T47 PolarHBondContact O-OG1 2.97Å; T47-A50 PolarHBondContact O-N 2.79Å; T47-Y51 PolarHBondContact O-N 3.33Å; T47-C258 HydrophobicContact CG2-CB 3.94Å; T47-C258 WeakPolarHBondContact OG1-CA 3.47Å; T47-L262 HydrophobicContact CG2-CD1 3.9Å; T47-L262 HydrophobicContact CG2-CD2 3.88Å; T47-L262 HydrophobicContact CG2-CG 3.56Å
48	A	98.9	Very high	98.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.3	-37.7	169.5	0	0	0	0	0	112.3	I44 Y51 Y52 F102 L261 V475 A478	I44-A48 WeakPolarHBondContact O-CB 3.31Å; I44-A48 PolarHBondContact O-N 3.34Å; A48-Y51 WeakPolarHBondContact O-CB 3.47Å; A48-Y51 PolarHBondContact O-N 3.46Å; A48-Y52 HydrophobicContact CB-CE2 4.42Å; A48-Y52 WeakPolarHBondContact O-CD2 3.28Å; A48-Y52 PolarHBondContact O-N 2.84Å; A48-F102 HydrophobicContact CB-CE2 4.03Å; A48-F102 HydrophobicContact CB-CZ 4.05Å; A48-L261 HydrophobicContact CB-CD1 4.18Å; A48-V475 HydrophobicContact CB-CB 4.5Å; A48-V475 HydrophobicContact CB-CG1 4.14Å; A48-V475 HydrophobicContact CB-CG2 4.19Å; A48-A478 HydrophobicContact CB-CB 3.79Å
49	A	98.9	Very high	98.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-64.5	-44.3	176.8	0	0	0	0	0	110.5	V39 G45 G46 Y51 Y52 L53 V312 L461 A478	V39-A49 HydrophobicContact CG1-CB 4.47Å; G45-A49 VanDerWaalsContact O-CB 3.29Å; G45-A49 WeakPolarHBondContact O-CB 3.43Å; G45-A49 PolarHBondContact O-N 2.94Å; G46-A49 WeakPolarHBondContact O-CB 3.33Å; G46-A49 PolarHBondContact O-N 3.45Å; A49-Y51 VanDerWaalsContact C-N 3.32Å; A49-Y51 PolarHBondContact O-N 3.05Å; A49-Y52 PolarHBondContact O-N 2.72Å; A49-L53 VanDerWaalsContact O-CB 3.22Å; A49-L53 WeakPolarHBondContact O-CB 3.38Å; A49-L53 WeakPolarHBondContact O-CD1 3.11Å; A49-L53 WeakPolarHBondContact O-CG 3.41Å; A49-L53 PolarHBondContact O-N 3.15Å; A49-V312 HydrophobicContact CB-CG1 4.3Å; A49-L461 HydrophobicContact CB-CD2 3.85Å; A49-A478 HydrophobicContact CB-CB 3.96Å
50	A	98.8	Very high	97.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.2	-43.8	174.4	0	0	0	0	0	112.1	V39 G46 T47 R54 I63 V65	V39-A50 HydrophobicContact CG2-CB 4.4Å; G46-A50 PolarHBondContact O-N 3.32Å; T47-A50 PolarHBondContact O-N 2.79Å; A50-R54 WeakPolarHBondContact O-CB 3.41Å; A50-R54 PolarHBondContact O-N 3.49Å; A50-I63 HydrophobicContact CB-CG2 4.13Å; A50-V65 HydrophobicContact CB-CG2 3.78Å
51	Y	98.8	Very high	97.8	Very high	22 Å²	22	25.4 Å²	25.4	9%	0.086	15%	0.15	C	C	.	.	H	α-helix	trans	-58.9	-52.9	174.1	178.9	-88.8	0	0	0	112.4	T47 A48 A49 R54 E55 F102 L261 H264	T47-Y51 PolarHBondContact O-N 3.33Å; A48-Y51 WeakPolarHBondContact O-CB 3.47Å; A48-Y51 PolarHBondContact O-N 3.46Å; A49-Y51 VanDerWaalsContact C-N 3.32Å; A49-Y51 PolarHBondContact O-N 3.05Å; Y51-R54 WeakPolarHBondContact O-CB 3.22Å; Y51-R54 PolarHBondContact O-N 3.42Å; Y51-E55 HydrophobicContact CE1-CG 4.06Å; Y51-E55 VanDerWaalsContact CE1-OE1 3.29Å; Y51-E55 WeakPolarHBondContact CE1-OE1 3.29Å; Y51-E55 WeakPolarHBondContact CE1-OE2 3.41Å; Y51-E55 VanDerWaalsContact CZ-OE1 3.26Å; Y51-E55 PolarHBondContact O-N 2.65Å; Y51-E55 VanDerWaalsContact O-N 3.13Å; Y51-E55 PolarHBondContact OH-OE1 2.86Å; Y51-F102 AromaticContact CD1-CE1 3.96Å; Y51-F102 HydrophobicContact CD1-CE1 3.96Å; Y51-F102 HydrophobicContact CE1-CE1 4.09Å; Y51-L261 HydrophobicContact CD1-CD2 4.4Å; Y51-L261 HydrophobicContact CD2-CD2 3.77Å; Y51-L261 HydrophobicContact CE2-CD2 4.43Å; Y51-L261 HydrophobicContact CG-CD2 3.77Å; Y51-H264 HydrophobicContact CD2-CB 4.2Å; Y51-H264 HydrophobicContact CE2-CB 4.18Å
52	Y	98.8	Very high	97.8	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.027	16%	0.164	C	C	.	.	H	α-helix	trans	-70.2	-36.3	-178.4	-69.3	-49.9	0	0	0	113.2	A48 A49 R54 E55 E56 H98 F102 V475 R479	A48-Y52 HydrophobicContact CB-CE2 4.42Å; A48-Y52 WeakPolarHBondContact O-CD2 3.28Å; A48-Y52 PolarHBondContact O-N 2.84Å; A49-Y52 PolarHBondContact O-N 2.72Å; Y52-R54 PolarHBondContact O-N 2.74Å; Y52-E55 VanDerWaalsContact CD1-OE2 3.24Å; Y52-E55 WeakPolarHBondContact CD1-OE2 3.2Å; Y52-E55 PolarHBondContact O-N 3.2Å; Y52-E55 VanDerWaalsContact O-N 3.1Å; Y52-E56 WeakPolarHBondContact O-CG 3.5Å; Y52-E56 PolarHBondContact O-N 2.82Å; Y52-H98 PolarHBondContact OH-ND1 3.46Å; Y52-F102 HydrophobicContact CE1-CE1 4.28Å; Y52-F102 HydrophobicContact CE1-CZ 4.49Å; Y52-F102 HydrophobicContact CE2-CE1 4.34Å; Y52-F102 AromaticContact CE2-CZ 3.75Å; Y52-F102 HydrophobicContact CE2-CZ 3.75Å; Y52-F102 AromaticContact CZ-CE1 3.75Å; Y52-F102 AromaticContact CZ-CZ 3.6Å; Y52-F102 WeakPolarHBondContact OH-CE1 3.34Å; Y52-F102 VanDerWaalsContact OH-CZ 3.3Å; Y52-F102 WeakPolarHBondContact OH-CZ 3.4Å; Y52-V475 HydrophobicContact CE2-CG1 3.98Å; Y52-R479 VanDerWaalsContact CD1-CD 3.43Å; Y52-R479 HydrophobicContact CD2-CB 3.67Å; Y52-R479 HydrophobicContact CD2-CG 4.36Å; Y52-R479 HydrophobicContact CE2-CB 3.6Å; Y52-R479 HydrophobicContact CE2-CG 4.29Å; Y52-R479 HydrophobicContact CG-CB 4.28Å
53	L	98.8	Very high	97.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.6	-37.8	172.4	-72.5	165.2	0	0	0	111.2	I37 V39 A49 E56 F57 I63 V312 A482 A485	I37-L53 HydrophobicContact CD1-CD2 4.23Å; I37-L53 HydrophobicContact CG2-CD1 3.86Å; V39-L53 HydrophobicContact CG2-CD1 3.85Å; A49-L53 VanDerWaalsContact O-CB 3.22Å; A49-L53 WeakPolarHBondContact O-CB 3.38Å; A49-L53 WeakPolarHBondContact O-CD1 3.11Å; A49-L53 WeakPolarHBondContact O-CG 3.41Å; A49-L53 PolarHBondContact O-N 3.15Å; L53-E56 PolarHBondContact O-N 3.18Å; L53-F57 HydrophobicContact CB-CD2 4.47Å; L53-F57 HydrophobicContact CD2-CD2 3.96Å; L53-F57 HydrophobicContact CD2-CE2 3.68Å; L53-F57 WeakPolarHBondContact O-CB 3.39Å; L53-F57 WeakPolarHBondContact O-CD2 3.24Å; L53-F57 PolarHBondContact O-N 3.26Å; L53-I63 HydrophobicContact CB-CD1 4.07Å; L53-V312 HydrophobicContact CD1-CG2 4.1Å; L53-A482 HydrophobicContact CD2-CB 4.14Å; L53-A482 HydrophobicContact CG-CB 4.18Å; L53-A485 HydrophobicContact CD2-CB 4.12Å
54	R	98.1	Very high	97.8	Very high	36 Å²	36	28.8 Å²	28.8	14%	0.136	16%	0.158	C	C	.	.	H	α-helix	trans	-63.7	-40.7	173.5	174.8	61.5	69.1	-161.2	3.5	112	A50 Y51 Y52 G58 P59 V61 I63 S265 K266	A50-R54 WeakPolarHBondContact O-CB 3.41Å; A50-R54 PolarHBondContact O-N 3.49Å; Y51-R54 WeakPolarHBondContact O-CB 3.22Å; Y51-R54 PolarHBondContact O-N 3.42Å; Y52-R54 PolarHBondContact O-N 2.74Å; R54-G58 WeakPolarHBondContact CD-O 3.25Å; R54-G58 PolarHBondContact NH1-O 3.39Å; R54-G58 WeakPolarHBondContact O-CA 3.15Å; R54-G58 PolarHBondContact O-N 3.12Å; R54-P59 PolarHBondContact NH1-O 2.99Å; R54-P59 VanDerWaalsContact NH1-O 3.08Å; R54-V61 VanDerWaalsContact CZ-O 3.25Å; R54-V61 PolarHBondContact NH1-O 3.13Å; R54-V61 PolarHBondContact NH2-O 3.25Å; R54-I63 HydrophobicContact CB-CD1 3.96Å; R54-S265 PolarHBondContact NE-O 3.32Å; R54-K266 PolarHBondContact NH2-O 2.7Å
55	E	97.5	Very high	97.9	Very high	96 Å²	96	28.1 Å²	28.1	45%	0.449	16%	0.155	S	C	.	.	H	α-helix	trans	-64.9	-44.4	176.3	-69.5	-171	143.8	0	0	111.9	Y51 Y52 R479	Y51-E55 HydrophobicContact CE1-CG 4.06Å; Y51-E55 VanDerWaalsContact CE1-OE1 3.29Å; Y51-E55 WeakPolarHBondContact CE1-OE1 3.29Å; Y51-E55 WeakPolarHBondContact CE1-OE2 3.41Å; Y51-E55 VanDerWaalsContact CZ-OE1 3.26Å; Y51-E55 PolarHBondContact O-N 2.65Å; Y51-E55 VanDerWaalsContact O-N 3.13Å; Y51-E55 PolarHBondContact OH-OE1 2.86Å; Y52-E55 VanDerWaalsContact CD1-OE2 3.24Å; Y52-E55 WeakPolarHBondContact CD1-OE2 3.2Å; Y52-E55 PolarHBondContact O-N 3.2Å; Y52-E55 VanDerWaalsContact O-N 3.1Å; E55-R479 IonicContact OE2-NH1 2.7Å
56	E	97.6	Very high	97.9	Very high	41 Å²	41	28 Å²	28	19%	0.192	15%	0.152	C	C	.	.	H	α-helix	trans	-76.4	-35.1	-175.7	-63	-50.6	133.1	0	0	114	Y52 L53 R479 A482 L483 H486	Y52-E56 WeakPolarHBondContact O-CG 3.5Å; Y52-E56 PolarHBondContact O-N 2.82Å; L53-E56 PolarHBondContact O-N 3.18Å; E56-R479 IonicContact OE1-CZ 3.26Å; E56-R479 IonicContact OE1-NH1 3.73Å; E56-R479 PolarHBondContact OE1-NH1 2.98Å; E56-R479 IonicContact OE1-NH2 3.09Å; E56-R479 PolarHBondContact OE1-NH2 3.47Å; E56-A482 HydrophobicContact CG-CB 4.37Å; E56-L483 HydrophobicContact CG-CD2 4.5Å; E56-H486 HydrophobicContact CB-CB 4Å; E56-H486 HydrophobicContact CG-CB 4.41Å; E56-H486 PolarHBondContact O-CE1 2.85Å; E56-H486 VanDerWaalsContact O-CE1 3.26Å; E56-H486 PolarHBondContact O-ND1 2.97Å
57	F	97.3	Very high	97.8	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.035	16%	0.159	C	C	.	.	H	α-helix	trans	-102.7	-6.3	-175.9	-69.7	-74.9	0	0	0	113.7	Q33 P34 I37 L53 V61 I310 A485 H486 W489	Q33-F57 VanDerWaalsContact OE1-CD1 3.26Å; P34-F57 HydrophobicContact CG-CD1 3.44Å; P34-F57 VanDerWaalsContact CG-CD1 3.44Å; P34-F57 HydrophobicContact CG-CE1 3.58Å; P34-F57 HydrophobicContact CG-CG 4.01Å; P34-F57 HydrophobicContact CG-CZ 4.24Å; I37-F57 HydrophobicContact CD1-CD2 3.76Å; I37-F57 HydrophobicContact CD1-CE2 4.01Å; I37-F57 HydrophobicContact CD1-CG 4.23Å; L53-F57 HydrophobicContact CB-CD2 4.47Å; L53-F57 HydrophobicContact CD2-CD2 3.96Å; L53-F57 HydrophobicContact CD2-CE2 3.68Å; L53-F57 WeakPolarHBondContact O-CB 3.39Å; L53-F57 WeakPolarHBondContact O-CD2 3.24Å; L53-F57 PolarHBondContact O-N 3.26Å; F57-V61 HydrophobicContact CB-CB 4.24Å; F57-V61 HydrophobicContact CB-CG1 3.67Å; F57-I310 HydrophobicContact CE1-CD1 4.25Å; F57-I310 HydrophobicContact CE2-CD1 4.12Å; F57-I310 HydrophobicContact CZ-CD1 3.65Å; F57-A485 HydrophobicContact CE2-CB 4.04Å; F57-A485 HydrophobicContact CZ-CB 4.16Å; F57-H486 HydrophobicContact CE2-CB 4.45Å; F57-H486 HydrophobicContact CZ-CB 4.2Å; F57-W489 HydrophobicContact CE1-CB 4.03Å; F57-W489 HydrophobicContact CE1-CG 4.02Å; F57-W489 HydrophobicContact CZ-CB 4.26Å
58	G	95.7	Very high	97.6	Very high	21 Å²	21	33.2 Å²	33.2	22%	0.216	19%	0.185	C	C	.	.			trans	78.2	-175.6	176.7	0	0	0	0	0	114.8	R54 V60 V61	R54-G58 WeakPolarHBondContact CD-O 3.25Å; R54-G58 PolarHBondContact NH1-O 3.39Å; R54-G58 WeakPolarHBondContact O-CA 3.15Å; R54-G58 PolarHBondContact O-N 3.12Å; G58-V60 VanDerWaalsContact C-N 3.31Å; G58-V60 PolarHBondContact O-N 3.04Å; G58-V61 WeakPolarHBondContact O-CG1 3.24Å
59	P	94.8	Very high	97.3	Very high	117 Å²	117	35.7 Å²	35.7	76%	0.76	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-12	-168.6	30.3	-36.4	0	0	0	114.9	R54	R54-P59 PolarHBondContact NH1-O 2.99Å; R54-P59 VanDerWaalsContact NH1-O 3.08Å
60	V	94.1	Very high	97.1	Very high	134 Å²	134	41.2 Å²	41.2	81%	0.812	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-28.1	-172.9	-178.9	0	0	0	0	112.4	G58	G58-V60 VanDerWaalsContact C-N 3.31Å; G58-V60 PolarHBondContact O-N 3.04Å
61	V	96.6	Very high	97.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.024	25%	0.251	C	S	.	.	S	Bend	trans	-66.6	137.1	-179.3	63.4	0	0	0	0	111.1	P34 I37 R54 F57 G58 I63	P34-V61 HydrophobicContact CG-CG2 4.23Å; P34-V61 WeakPolarHBondContact O-CG2 3.38Å; I37-V61 HydrophobicContact CD1-CG2 3.72Å; I37-V61 HydrophobicContact CG1-CG2 3.66Å; R54-V61 VanDerWaalsContact CZ-O 3.25Å; R54-V61 PolarHBondContact NH1-O 3.13Å; R54-V61 PolarHBondContact NH2-O 3.25Å; F57-V61 HydrophobicContact CB-CB 4.24Å; F57-V61 HydrophobicContact CB-CG1 3.67Å; G58-V61 WeakPolarHBondContact O-CG1 3.24Å; V61-I63 HydrophobicContact CG1-CD1 4.12Å; V61-I63 HydrophobicContact CG1-CG1 4.07Å; V61-I63 HydrophobicContact CG2-CG1 4.43Å
62	K	98.3	Very high	97	Very high	91 Å²	91	41.3 Å²	41.3	40%	0.396	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128.9	169.7	177.1	165	179.7	138	0	109.5	K35 K36 I37 D64 D268	K35-K62 PolarHBondContact O-N 3.3Å; K36-K62 CarbonylContact C-O 3.52Å; K36-K62 WeakPolarHBondContact CA-O 3.33Å; K36-K62 HydrophobicContact CG-CB 4.12Å; K36-K62 HydrophobicContact CG-CD 4.37Å; K36-K62 HydrophobicContact CG-CG 4.06Å; I37-K62 PolarHBondContact N-O 2.99Å; K62-D64 WeakPolarHBondContact CE-OD1 3.42Å; K62-D64 WeakPolarHBondContact CG-OD1 3.48Å; K62-D64 IonicContact NZ-OD1 2.82Å; K62-D268 WeakPolarHBondContact CE-OD2 3.38Å; K62-D268 IonicContact NZ-OD2 3.39Å; K62-D268 PolarHBondContact NZ-OD2 2.96Å
63	I	98.8	Very high	96.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	116.3	-179.7	-57	174.2	0	0	0	107.9	I37 V39 A50 L53 R54 V61 V65 S267 D268	I37-I63 HydrophobicContact CB-CG1 4.5Å; I37-I63 WeakPolarHBondContact O-CA 3.4Å; V39-I63 HydrophobicContact CG2-CG2 4.28Å; A50-I63 HydrophobicContact CB-CG2 4.13Å; L53-I63 HydrophobicContact CB-CD1 4.07Å; R54-I63 HydrophobicContact CB-CD1 3.96Å; V61-I63 HydrophobicContact CG1-CD1 4.12Å; V61-I63 HydrophobicContact CG1-CG1 4.07Å; V61-I63 HydrophobicContact CG2-CG1 4.43Å; I63-V65 HydrophobicContact CG2-CG2 4.45Å; I63-S267 WeakPolarHBondContact CB-OG 3.24Å; I63-S267 VanDerWaalsContact CG2-OG 3.29Å; I63-S267 WeakPolarHBondContact CG2-OG 3.35Å; I63-S267 CarbonylContact O-C 3.59Å; I63-S267 WeakPolarHBondContact O-CA 3.46Å; I63-S267 WeakPolarHBondContact O-CB 3.45Å; I63-D268 PolarHBondContact O-N 3.14Å
64	D	98.8	Very high	96.6	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.027	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.8	176.2	-66.2	16	0	0	0	108.5	K36 I37 A38 V39 K62 F66 D268 I270 Y308	K36-D64 WeakPolarHBondContact CE-OD2 3.48Å; K36-D64 IonicContact NZ-OD2 2.9Å; K36-D64 PolarHBondContact NZ-OD2 3.4Å; I37-D64 PolarHBondContact O-N 3.3Å; A38-D64 CarbonylContact C-O 3.55Å; A38-D64 WeakPolarHBondContact CA-O 3.4Å; V39-D64 PolarHBondContact N-O 3.05Å; K62-D64 WeakPolarHBondContact CE-OD1 3.42Å; K62-D64 WeakPolarHBondContact CG-OD1 3.48Å; K62-D64 IonicContact NZ-OD1 2.82Å; D64-F66 HydrophobicContact CB-CE2 4.08Å; D64-D268 CarbonylContact C-O 3.12Å; D64-D268 WeakPolarHBondContact CA-O 3.44Å; D64-I270 HydrophobicContact CB-CG1 4.05Å; D64-Y308 HydrophobicContact CB-CE1 4.03Å; D64-Y308 PolarHBondContact OD2-OH 3.04Å
65	V	98.9	Very high	96.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	115.8	176.6	-175.8	0	0	0	0	108.5	V39 A42 A50 I63 L262 D268 L269 I270	V39-V65 HydrophobicContact CB-CG1 4.46Å; V39-V65 HydrophobicContact CB-CG2 4.17Å; V39-V65 CarbonylContact O-C 3.49Å; V39-V65 WeakPolarHBondContact O-CA 3.42Å; A42-V65 HydrophobicContact CB-CG1 3.9Å; A50-V65 HydrophobicContact CB-CG2 3.78Å; I63-V65 HydrophobicContact CG2-CG2 4.45Å; V65-L262 HydrophobicContact CB-CD2 4.02Å; V65-L262 HydrophobicContact CG1-CD2 4.14Å; V65-L262 HydrophobicContact CG2-CD2 3.72Å; V65-D268 PolarHBondContact N-O 3.48Å; V65-L269 HydrophobicContact CG1-CD1 4.49Å; V65-I270 PolarHBondContact O-N 3.29Å
66	F	98.7	Very high	96.5	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.013	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.1	179.4	-70.1	-92.4	0	0	0	110.7	A38 V39 G41 D64 I270 A272 V274 L295 Y297 Y308	A38-F66 HydrophobicContact CB-CD2 4.42Å; A38-F66 HydrophobicContact CB-CE2 4.1Å; V39-F66 PolarHBondContact O-N 3.41Å; G41-F66 VanDerWaalsContact CA-O 3.31Å; G41-F66 WeakPolarHBondContact CA-O 3.43Å; G41-F66 PolarHBondContact N-O 2.9Å; D64-F66 HydrophobicContact CB-CE2 4.08Å; F66-I270 WeakPolarHBondContact CA-O 3.35Å; F66-I270 HydrophobicContact CD1-CB 3.85Å; F66-I270 HydrophobicContact CD1-CG2 3.82Å; F66-I270 HydrophobicContact CE1-CB 3.95Å; F66-I270 HydrophobicContact CE1-CG1 4.29Å; F66-I270 HydrophobicContact CE1-CG2 3.65Å; F66-I270 HydrophobicContact CG-CB 4.37Å; F66-I270 HydrophobicContact CZ-CG1 4.42Å; F66-A272 HydrophobicContact CD1-CB 4.26Å; F66-V274 HydrophobicContact CB-CG2 3.83Å; F66-V274 HydrophobicContact CD1-CG2 3.92Å; F66-V274 HydrophobicContact CD2-CG2 4.32Å; F66-V274 HydrophobicContact CG-CG2 3.76Å; F66-L295 HydrophobicContact CD2-CD2 4.36Å; F66-L295 HydrophobicContact CE2-CD2 3.99Å; F66-Y297 HydrophobicContact CD1-CD1 4.36Å; F66-Y297 HydrophobicContact CD1-CD2 4.46Å; F66-Y297 HydrophobicContact CD1-CG 4.16Å; F66-Y297 AromaticContact CE1-CD1 3.45Å; F66-Y297 HydrophobicContact CE1-CD1 3.45Å; F66-Y297 VanDerWaalsContact CE1-CD1 3.45Å; F66-Y297 AromaticContact CE1-CD2 3.88Å; F66-Y297 HydrophobicContact CE1-CD2 3.88Å; F66-Y297 AromaticContact CE1-CE1 3.62Å; F66-Y297 HydrophobicContact CE1-CE1 3.62Å; F66-Y297 HydrophobicContact CE1-CE2 4.01Å; F66-Y297 AromaticContact CE1-CG 3.59Å; F66-Y297 HydrophobicContact CE1-CG 3.59Å; F66-Y297 AromaticContact CE1-CZ 3.9Å; F66-Y297 AromaticContact CZ-CD1 3.92Å; F66-Y297 HydrophobicContact CZ-CD1 3.92Å; F66-Y297 AromaticContact CZ-CE1 3.84Å; F66-Y297 HydrophobicContact CZ-CE1 3.84Å; F66-Y297 HydrophobicContact CZ-CG 4.49Å; F66-Y308 HydrophobicContact CE2-CE2 4.11Å; F66-Y308 AromaticContact CE2-CZ 3.74Å; F66-Y308 VanDerWaalsContact CE2-OH 3.29Å; F66-Y308 WeakPolarHBondContact CE2-OH 3.4Å; F66-Y308 HydrophobicContact CZ-CE2 4.21Å; F66-Y308 AromaticContact CZ-CZ 3.95Å; F66-Y308 WeakPolarHBondContact CZ-OH 3.41Å
67	E	97.9	Very high	96.5	Very high	31 Å²	31	39.7 Å²	39.7	15%	0.145	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	129.5	174.5	177.6	54.5	-107	0	0	109.9	A42 G69 L269 I270 P271 A272	A42-E67 HydrophobicContact CB-CB 3.57Å; A42-E67 HydrophobicContact CB-CG 3.81Å; A42-E67 PolarHBondContact N-OE2 3.49Å; E67-G69 WeakPolarHBondContact CG-O 3.35Å; E67-G69 PolarHBondContact OE1-N 3.34Å; E67-L269 HydrophobicContact CB-CD1 3.99Å; E67-I270 PolarHBondContact N-O 2.8Å; E67-P271 CarbonylContact O-C 3.58Å; E67-P271 WeakPolarHBondContact O-CA 3.46Å; E67-A272 CarbonylContact C-O 3.51Å; E67-A272 PolarHBondContact O-N 3.09Å
68	S	93.6	Very high	96.5	Very high	80 Å²	80	40.8 Å²	40.8	56%	0.559	26%	0.261	S	S	*	.	S	Bend	trans	-96.9	-19	178.6	56.2	0	0	0	0	113.7
69	G	93.3	Very high	96.6	Very high	51 Å²	51	46.4 Å²	46.4	53%	0.526	28%	0.279	S	S	.	.	S	Bend	trans	-109.7	-141.9	176.5	0	0	0	0	0	111.8	E67	E67-G69 WeakPolarHBondContact CG-O 3.35Å; E67-G69 PolarHBondContact OE1-N 3.34Å
70	T	94.5	Very high	96.6	Very high	117 Å²	117	41.3 Å²	41.3	72%	0.718	25%	0.245	S	C	*	.			trans	-90.6	134.8	-179.3	-50.5	0	0	0	0	110.9	G72 G73	T70-G72 PolarHBondContact O-N 3.47Å; T70-G73 PolarHBondContact O-N 3.47Å
71	V	97.9	Very high	96.5	Very high	24 Å²	24	38 Å²	38	15%	0.145	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	131.5	168.4	175	0	0	0	0	109.6	A42 C258 L262 L269	A42-V71 HydrophobicContact CB-CB 4.48Å; A42-V71 HydrophobicContact CB-CG1 4.42Å; A42-V71 HydrophobicContact CB-CG2 4.06Å; V71-C258 HydrophobicContact CG1-CB 3.79Å; V71-L262 HydrophobicContact CB-CD1 4.44Å; V71-L262 HydrophobicContact CG1-CD1 3.68Å; V71-L262 HydrophobicContact CG2-CD1 3.83Å; V71-L269 HydrophobicContact CG2-CD1 4.14Å; V71-L269 HydrophobicContact CG2-CD2 3.67Å
72	G	96.4	Very high	96.3	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.01	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	117.7	-33.9	-172.4	0	0	0	0	0	112.7	A42 T70 R74 L75	A42-G72 PolarHBondContact O-N 2.85Å; T70-G72 PolarHBondContact O-N 3.47Å; G72-R74 PolarHBondContact O-N 3.02Å; G72-R74 VanDerWaalsContact O-N 3.12Å; G72-L75 CarbonylContact C-O 3.54Å; G72-L75 WeakPolarHBondContact O-CB 3.25Å; G72-L75 PolarHBondContact O-N 3.24Å
73	G	95.3	Very high	96.2	Very high	35 Å²	35	44.8 Å²	44.8	36%	0.361	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	-113.2	-177	0	0	0	0	0	111.5	T70 L75	T70-G73 PolarHBondContact O-N 3.47Å; G73-L75 PolarHBondContact O-N 3.35Å
74	R	95.5	Very high	96.2	Very high	60 Å²	60	48 Å²	48	23%	0.226	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-1	175.6	-74.5	172.2	-67.2	-164.8	-6.3	114.1	G72 G88 G89 W436 A438 E465	G72-R74 PolarHBondContact O-N 3.02Å; G72-R74 VanDerWaalsContact O-N 3.12Å; R74-G88 VanDerWaalsContact O-CA 3.3Å; R74-G88 WeakPolarHBondContact O-CA 3.47Å; R74-G89 PolarHBondContact O-N 3.45Å; R74-G89 VanDerWaalsContact O-N 3.14Å; R74-W436 HydrophobicContact CG-CD2 4.42Å; R74-W436 HydrophobicContact CG-CE3 3.83Å; R74-W436 HydrophobicContact CG-CZ3 4.14Å; R74-A438 PolarHBondContact NH1-O 3.06Å; R74-E465 IonicContact CZ-OE1 3.43Å; R74-E465 IonicContact CZ-OE2 2.96Å; R74-E465 VanDerWaalsContact CZ-OE2 3.32Å; R74-E465 IonicContact NH1-OE1 2.66Å; R74-E465 IonicContact NH1-OE2 3.93Å; R74-E465 PolarHBondContact NH1-OE2 2.94Å; R74-E465 IonicContact NH2-OE1 2.66Å; R74-E465 PolarHBondContact NH2-OE1 3.3Å; R74-E465 IonicContact NH2-OE2 3.42Å; R74-E465 PolarHBondContact NH2-OE2 3.44Å
75	L	97.2	Very high	96.1	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.047	29%	0.29	C	S	.	.	S	Bend	trans	-92.8	97.6	163.2	-54.9	-172.8	0	0	0	106.4	I44 G72 G73 N254 K255 M471	I44-L75 HydrophobicContact CB-CD1 3.84Å; I44-L75 HydrophobicContact CG1-CD1 4.34Å; I44-L75 HydrophobicContact CG2-CD1 4.33Å; G72-L75 CarbonylContact C-O 3.54Å; G72-L75 WeakPolarHBondContact O-CB 3.25Å; G72-L75 PolarHBondContact O-N 3.24Å; G73-L75 PolarHBondContact O-N 3.35Å; L75-N254 HydrophobicContact CD1-CB 4.32Å; L75-N254 HydrophobicContact CD2-CB 4.43Å; L75-K255 HydrophobicContact CB-CB 4.22Å; L75-K255 WeakPolarHBondContact O-CB 3.46Å; L75-M471 HydrophobicContact CD1-CG 4.22Å; L75-M471 HydrophobicContact CD1-SD 3.87Å; L75-M471 HydrophobicContact CD2-CE 4.48Å; L75-M471 HydrophobicContact CD2-CG 3.73Å; L75-M471 HydrophobicContact CD2-SD 3.54Å; L75-M471 VanDerWaalsContact CD2-SD 3.54Å; L75-M471 HydrophobicContact CG-SD 4.37Å
76	A	96.4	Very high	96.1	Very high	20 Å²	20	49.3 Å²	49.3	17%	0.165	29%	0.293	C	S	.	.			trans	-145.9	142.6	-169.2	0	0	0	0	0	110.9	T87 G88 W436	A76-T87 PolarHBondContact O-N 2.9Å; A76-T87 PolarHBondContact O-OG1 3.18Å; A76-G88 PolarHBondContact O-N 3.24Å; A76-W436 HydrophobicContact CB-CH2 3.56Å; A76-W436 HydrophobicContact CB-CZ2 3.7Å
77	T	97.5	Very high	96	Very high	22 Å²	22	49.2 Å²	49.2	14%	0.135	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	156.2	178.7	63	0	0	0	0	110.1	E84 Y85 K255 V391	T77-E84 PolarHBondContact OG1-OE2 2.89Å; T77-Y85 CarbonylContact C-O 3.57Å; T77-Y85 WeakPolarHBondContact CA-O 3.44Å; T77-Y85 VanDerWaalsContact CB-O 3.29Å; T77-Y85 WeakPolarHBondContact CB-O 3.48Å; T77-K255 HydrophobicContact CG2-CD 4.28Å; T77-K255 VanDerWaalsContact OG1-CE 3.3Å; T77-K255 WeakPolarHBondContact OG1-CE 3.35Å; T77-K255 PolarHBondContact OG1-NZ 2.88Å; T77-V391 HydrophobicContact CG2-CG1 3.82Å
78	V	97	Very high	95.7	Very high	30 Å²	30	48.4 Å²	48.4	18%	0.182	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.3	171.6	164.8	0	0	0	0	108.6	E84 Y85 T87 L348	V78-E84 CarbonylContact O-C 3.48Å; V78-E84 WeakPolarHBondContact O-CA 3.45Å; V78-Y85 PolarHBondContact N-O 3.06Å; V78-Y85 PolarHBondContact O-N 3.33Å; V78-T87 HydrophobicContact CB-CG2 3.83Å; V78-T87 HydrophobicContact CG2-CG2 3.52Å; V78-L348 HydrophobicContact CB-CD2 4.07Å; V78-L348 HydrophobicContact CG1-CD2 4.39Å
79	K	97.1	Very high	95.6	Very high	140 Å²	140	45.9 Å²	45.9	61%	0.609	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	125.6	170.9	-170.6	176.3	-179.8	179.2	0	109.7	G81 Y83 E84	K79-G81 VanDerWaalsContact CE-O 3.23Å; K79-G81 WeakPolarHBondContact CE-O 3.42Å; K79-Y83 CarbonylContact C-O 3.58Å; K79-Y83 WeakPolarHBondContact CA-O 3.48Å; K79-E84 HydrophobicContact CB-CG 4.01Å; K79-E84 HydrophobicContact CG-CG 4.37Å
80	M	95.5	Very high	95.3	Very high	9 Å²	9	44.8 Å²	44.8	4%	0.044	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	118.6	172.9	-102.5	-171.9	170.9	0	0	108.7	D82 Y83 Y85 L348 H350 V407 S430	M80-D82 PolarHBondContact O-N 3.17Å; M80-Y83 PolarHBondContact N-O 2.87Å; M80-Y83 PolarHBondContact O-N 3.21Å; M80-Y85 HydrophobicContact CB-CD2 4.1Å; M80-Y85 HydrophobicContact CB-CE2 4.06Å; M80-L348 HydrophobicContact CE-CB 3.88Å; M80-L348 VanDerWaalsContact CE-O 3.26Å; M80-L348 WeakPolarHBondContact CE-O 3.32Å; M80-L348 HydrophobicContact SD-CB 3.85Å; M80-H350 HydrophobicContact SD-CB 4.14Å; M80-V407 HydrophobicContact CB-CG2 4.08Å; M80-V407 HydrophobicContact SD-CG1 3.97Å; M80-V407 HydrophobicContact SD-CG2 4.05Å; M80-S430 WeakPolarHBondContact CE-O 3.21Å
81	G	91.4	Very high	95.3	Very high	66 Å²	66	42.8 Å²	42.8	68%	0.68	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	-128.2	-168.2	0	0	0	0	0	111	K79	K79-G81 VanDerWaalsContact CE-O 3.23Å; K79-G81 WeakPolarHBondContact CE-O 3.42Å
82	D	92.3	Very high	95.2	Very high	142 Å²	142	41.7 Å²	41.7	76%	0.759	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-10.4	-176.4	-63.4	-39.3	0	0	0	114	M80	M80-D82 PolarHBondContact O-N 3.17Å
83	Y	96.9	Very high	95.2	Very high	95 Å²	95	42.5 Å²	42.5	37%	0.373	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	160.1	-171.8	-56.7	-63.6	0	0	0	113	K79 M80 P390 P394	K79-Y83 CarbonylContact C-O 3.58Å; K79-Y83 WeakPolarHBondContact CA-O 3.48Å; M80-Y83 PolarHBondContact N-O 2.87Å; M80-Y83 PolarHBondContact O-N 3.21Å; Y83-P390 HydrophobicContact CD1-CB 4.11Å; Y83-P390 HydrophobicContact CD1-CG 4.02Å; Y83-P390 HydrophobicContact CD2-CG 4.01Å; Y83-P390 HydrophobicContact CG-CB 4.06Å; Y83-P390 HydrophobicContact CG-CG 3.69Å; Y83-P394 HydrophobicContact CD1-CG 4.19Å; Y83-P394 HydrophobicContact CE1-CG 3.35Å
84	E	97.6	Very high	95.3	Very high	69 Å²	69	43.1 Å²	43.1	32%	0.322	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	148.5	169.4	-78.2	-169.1	-164.2	0	0	110.9	T77 V78 K79 K255 P390 V391	T77-E84 PolarHBondContact OG1-OE2 2.89Å; V78-E84 CarbonylContact O-C 3.48Å; V78-E84 WeakPolarHBondContact O-CA 3.45Å; K79-E84 HydrophobicContact CB-CG 4.01Å; K79-E84 HydrophobicContact CG-CG 4.37Å; E84-K255 IonicContact OE1-NZ 3.99Å; E84-K255 IonicContact OE2-NZ 2.69Å; E84-K255 PolarHBondContact OE2-NZ 2.8Å; E84-P390 CarbonylContact O-C 3.52Å; E84-P390 WeakPolarHBondContact O-CA 3.17Å; E84-V391 HydrophobicContact CB-CG2 3.66Å; E84-V391 WeakPolarHBondContact O-CG2 3.3Å; E84-V391 PolarHBondContact O-N 2.96Å
85	Y	98.2	Very high	95.3	Very high	17 Å²	17	43.1 Å²	43.1	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144.3	-175.3	-61.7	-89.4	0	0	0	111.7	T77 V78 M80 T87 L388 D389 P390 V407	T77-Y85 CarbonylContact C-O 3.57Å; T77-Y85 WeakPolarHBondContact CA-O 3.44Å; T77-Y85 VanDerWaalsContact CB-O 3.29Å; T77-Y85 WeakPolarHBondContact CB-O 3.48Å; V78-Y85 PolarHBondContact N-O 3.06Å; V78-Y85 PolarHBondContact O-N 3.33Å; M80-Y85 HydrophobicContact CB-CD2 4.1Å; M80-Y85 HydrophobicContact CB-CE2 4.06Å; Y85-T87 PolarHBondContact O-N 2.85Å; Y85-L388 HydrophobicContact CD1-CB 3.72Å; Y85-L388 HydrophobicContact CD1-CD1 4.49Å; Y85-L388 HydrophobicContact CE1-CB 4.35Å; Y85-D389 WeakPolarHBondContact CD1-O 3.36Å; Y85-P390 HydrophobicContact CE1-CG 4.04Å; Y85-V407 HydrophobicContact CD1-CB 4.2Å; Y85-V407 HydrophobicContact CD1-CG1 4.13Å; Y85-V407 HydrophobicContact CD2-CB 4.43Å; Y85-V407 HydrophobicContact CD2-CG1 4.17Å; Y85-V407 HydrophobicContact CD2-CG2 4.14Å; Y85-V407 HydrophobicContact CE1-CB 3.87Å; Y85-V407 HydrophobicContact CE1-CG1 4.32Å; Y85-V407 HydrophobicContact CE1-CG2 4.1Å; Y85-V407 HydrophobicContact CE2-CB 4.15Å; Y85-V407 HydrophobicContact CE2-CG1 4.39Å; Y85-V407 HydrophobicContact CE2-CG2 3.57Å; Y85-V407 HydrophobicContact CG-CB 4.44Å; Y85-V407 HydrophobicContact CG-CG1 4.04Å
86	E	97.8	Very high	95.3	Very high	15 Å²	15	43.9 Å²	43.9	7%	0.07	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	122	178.4	-73.5	-64	169	0	0	112.5	A90 G253 N254 V391 K409	E86-A90 HydrophobicContact CB-CB 3.88Å; E86-A90 HydrophobicContact CG-CB 4.22Å; E86-G253 WeakPolarHBondContact OE1-CA 3.39Å; E86-N254 PolarHBondContact OE1-N 3.15Å; E86-V391 HydrophobicContact CG-CG1 3.81Å; E86-K409 PolarHBondContact O-NZ 2.66Å
87	T	96.3	Very high	95.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	26%	0.26	C	S	.	.	S	Bend	trans	-101.6	-16.7	173.8	61.3	0	0	0	0	113.3	A76 V78 Y85 A346 L348 W436	A76-T87 PolarHBondContact O-N 2.9Å; A76-T87 PolarHBondContact O-OG1 3.18Å; V78-T87 HydrophobicContact CB-CG2 3.83Å; V78-T87 HydrophobicContact CG2-CG2 3.52Å; Y85-T87 PolarHBondContact O-N 2.85Å; T87-A346 VanDerWaalsContact O-CB 3.29Å; T87-A346 WeakPolarHBondContact O-CB 3.22Å; T87-L348 HydrophobicContact CG2-CD1 3.8Å; T87-L348 HydrophobicContact CG2-CD2 3.76Å; T87-L348 HydrophobicContact CG2-CG 4.45Å; T87-W436 PolarHBondContact O-NE1 3.47Å
88	G	92.8	Very high	95.5	Very high	13 Å²	13	44.7 Å²	44.7	13%	0.134	26%	0.256	C	S	.	.	S	Bend	trans	-117.1	-134.8	-176.3	0	0	0	0	0	112.7	R74 A76 A90	R74-G88 VanDerWaalsContact O-CA 3.3Å; R74-G88 WeakPolarHBondContact O-CA 3.47Å; A76-G88 PolarHBondContact O-N 3.24Å; G88-A90 PolarHBondContact O-N 2.73Å; G88-A90 VanDerWaalsContact O-N 3.1Å
89	G	90.4	Very high	95.5	Very high	27 Å²	27	43.3 Å²	43.3	28%	0.278	25%	0.247	S	C	.	.			trans	-63.7	107.8	178.2	0	0	0	0	0	111.9	R74 N254	R74-G89 PolarHBondContact O-N 3.45Å; R74-G89 VanDerWaalsContact O-N 3.14Å; G89-N254 PolarHBondContact O-ND2 2.91Å
90	A	88.6	Confident	95.6	Very high	29 Å²	29	40.9 Å²	40.9	24%	0.24	24%	0.237	C	C	.	.			trans	-104.1	-28.4	-165.9	0	0	0	0	0	115.1	E86 G88 N254	E86-A90 HydrophobicContact CB-CB 3.88Å; E86-A90 HydrophobicContact CG-CB 4.22Å; G88-A90 PolarHBondContact O-N 2.73Å; G88-A90 VanDerWaalsContact O-N 3.1Å; A90-N254 WeakPolarHBondContact CA-ND2 3.33Å; A90-N254 PolarHBondContact O-ND2 3.09Å
91	V	92.5	Very high	95.7	Very high	75 Å²	75	45.3 Å²	45.3	46%	0.455	26%	0.257	S	S	.	.			trans	-122.1	146	-173.3	-63	0	0	0	0	112	L247 M471	V91-L247 HydrophobicContact CB-CB 4.47Å; V91-M471 WeakPolarHBondContact O-CE 3.31Å
92	I	97.2	Very high	96	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-124.9	131.6	179.7	-55.1	166	0	0	0	108	N96 M99 L247 W248 V250 M471	I92-N96 HydrophobicContact CG2-CB 3.75Å; I92-M99 HydrophobicContact CD1-CE 3.64Å; I92-M99 HydrophobicContact CG1-CE 4.36Å; I92-M99 HydrophobicContact CG2-CB 3.84Å; I92-M99 HydrophobicContact CG2-CG 4.28Å; I92-L247 WeakPolarHBondContact O-CA 3.16Å; I92-W248 HydrophobicContact CB-CD2 3.92Å; I92-W248 HydrophobicContact CB-CE3 4.26Å; I92-W248 HydrophobicContact CB-CG 4.44Å; I92-W248 HydrophobicContact CB-CH2 4.27Å; I92-W248 HydrophobicContact CB-CZ2 3.93Å; I92-W248 HydrophobicContact CB-CZ3 4.42Å; I92-W248 WeakPolarHBondContact CB-O 3.42Å; I92-W248 HydrophobicContact CD1-CD2 4.44Å; I92-W248 HydrophobicContact CD1-CE3 3.91Å; I92-W248 HydrophobicContact CD1-CH2 3.64Å; I92-W248 HydrophobicContact CD1-CZ2 4.19Å; I92-W248 HydrophobicContact CD1-CZ3 3.47Å; I92-W248 VanDerWaalsContact CD1-CZ3 3.47Å; I92-W248 HydrophobicContact CG2-CD2 4.21Å; I92-W248 VanDerWaalsContact CG2-CE2 3.47Å; I92-W248 HydrophobicContact CG2-CH2 3.9Å; I92-W248 HydrophobicContact CG2-CZ2 3.32Å; I92-W248 PolarHBondContact N-O 3.01Å; I92-W248 PolarHBondContact O-N 3.27Å; I92-W248 PolarHBondContact O-NE1 3.23Å; I92-V250 HydrophobicContact CD1-CG2 3.94Å; I92-M471 HydrophobicContact CD1-CE 4.39Å; I92-M471 HydrophobicContact CD1-SD 4.45Å; I92-M471 HydrophobicContact CG1-CE 3.49Å; I92-M471 VanDerWaalsContact CG1-CE 3.49Å; I92-M471 HydrophobicContact CG1-SD 4.08Å
93	H	97	Very high	96.3	Very high	19 Å²	19	36.1 Å²	36.1	9%	0.088	19%	0.192	C	C	.	.			trans	-77.7	146.2	179.8	-171.8	-97.6	0	0	0	111.4	L95 N96 A241 D244 L247 W248	H93-L95 WeakPolarHBondContact ND1-CB 3.46Å; H93-L95 PolarHBondContact ND1-N 3.46Å; H93-L95 VanDerWaalsContact ND1-N 3.11Å; H93-L95 PolarHBondContact O-N 3.12Å; H93-L95 VanDerWaalsContact O-N 3.16Å; H93-N96 PolarHBondContact N-ND2 3.22Å; H93-N96 VanDerWaalsContact N-ND2 3.16Å; H93-N96 VanDerWaalsContact O-CB 3.24Å; H93-N96 WeakPolarHBondContact O-CB 3.33Å; H93-N96 PolarHBondContact O-N 3.33Å; H93-A241 PolarHBondContact CD2-O 3.22Å; H93-D244 IonicContact NE2-OD2 3.7Å; H93-D244 PolarHBondContact NE2-OD2 3.36Å; H93-L247 HydrophobicContact CB-CD2 4.32Å; H93-W248 PolarHBondContact O-NE1 3.11Å
94	P	95.8	Very high	96.3	Very high	47 Å²	47	37.6 Å²	37.6	31%	0.305	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-31.8	176	-30.4	35.6	0	0	0	115.3	N96 G246	P94-N96 VanDerWaalsContact C-N 3.29Å; P94-N96 PolarHBondContact O-N 3Å; P94-G246 VanDerWaalsContact CG-O 3.22Å; P94-G246 WeakPolarHBondContact CG-O 3.45Å
95	L	96.4	Very high	96.3	Very high	61 Å²	61	40.1 Å²	40.1	32%	0.319	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	6	179.1	-57	-177.9	0	0	0	114.1	H93 L97 L160 M164 Y167	H93-L95 WeakPolarHBondContact ND1-CB 3.46Å; H93-L95 PolarHBondContact ND1-N 3.46Å; H93-L95 VanDerWaalsContact ND1-N 3.11Å; H93-L95 PolarHBondContact O-N 3.12Å; H93-L95 VanDerWaalsContact O-N 3.16Å; L95-L97 VanDerWaalsContact C-N 3.29Å; L95-L97 PolarHBondContact O-N 3.37Å; L95-L160 HydrophobicContact CD1-CB 4.2Å; L95-L160 HydrophobicContact CD1-CD1 4.09Å; L95-L160 HydrophobicContact CD1-CD2 4.5Å; L95-M164 HydrophobicContact CB-CE 4.43Å; L95-M164 HydrophobicContact CB-SD 3.78Å; L95-M164 HydrophobicContact CD1-SD 4.2Å; L95-M164 HydrophobicContact CD2-CE 4.39Å; L95-M164 HydrophobicContact CD2-SD 4.43Å; L95-M164 HydrophobicContact CG-SD 4.37Å; L95-Y167 PolarHBondContact O-OH 3.41Å
96	N	97.9	Very high	96.3	Very high	24 Å²	24	40.9 Å²	40.9	13%	0.128	22%	0.217	C	C	.	.			trans	-80.3	78.3	170.6	-68.6	-7.1	0	0	0	109.2	I92 H93 P94 H98 M99 K100 E472	I92-N96 HydrophobicContact CG2-CB 3.75Å; H93-N96 PolarHBondContact N-ND2 3.22Å; H93-N96 VanDerWaalsContact N-ND2 3.16Å; H93-N96 VanDerWaalsContact O-CB 3.24Å; H93-N96 WeakPolarHBondContact O-CB 3.33Å; H93-N96 PolarHBondContact O-N 3.33Å; P94-N96 VanDerWaalsContact C-N 3.29Å; P94-N96 PolarHBondContact O-N 3Å; N96-H98 VanDerWaalsContact C-N 3.35Å; N96-H98 PolarHBondContact O-N 3.48Å; N96-M99 HydrophobicContact CB-CB 4.28Å; N96-M99 PolarHBondContact O-N 3.09Å; N96-K100 PolarHBondContact O-N 2.98Å; N96-K100 VanDerWaalsContact O-N 3.11Å; N96-E472 HydrophobicContact CB-CB 3.99Å; N96-E472 HydrophobicContact CB-CG 3.89Å; N96-E472 WeakPolarHBondContact CB-OE2 3.14Å
97	L	98.2	Very high	96.2	Very high	50 Å²	50	43.2 Å²	43.2	26%	0.262	25%	0.245	S	C	.	.	H	α-helix	trans	-67.9	-33.4	-167.1	-59.2	-171	0	0	0	112.6	L95 K100 Q101 M164 Y167 E472	L95-L97 VanDerWaalsContact C-N 3.29Å; L95-L97 PolarHBondContact O-N 3.37Å; L97-K100 PolarHBondContact O-N 2.62Å; L97-Q101 WeakPolarHBondContact O-CB 3.15Å; L97-Q101 VanDerWaalsContact O-CG 3.23Å; L97-Q101 WeakPolarHBondContact O-CG 3.46Å; L97-Q101 PolarHBondContact O-N 3.11Å; L97-M164 HydrophobicContact CD1-CE 3.49Å; L97-M164 VanDerWaalsContact CD1-CE 3.49Å; L97-M164 HydrophobicContact CD2-CE 4.22Å; L97-M164 HydrophobicContact CG-CE 3.76Å; L97-Y167 HydrophobicContact CB-CD1 3.97Å; L97-Y167 HydrophobicContact CB-CE1 3.69Å; L97-Y167 HydrophobicContact CB-CE2 4.28Å; L97-Y167 HydrophobicContact CB-CG 4.37Å; L97-Y167 HydrophobicContact CD1-CD1 4.34Å; L97-Y167 HydrophobicContact CD1-CD2 3.77Å; L97-Y167 HydrophobicContact CD1-CE2 4.07Å; L97-Y167 HydrophobicContact CD1-CG 3.91Å; L97-Y167 HydrophobicContact CG-CD1 4.45Å; L97-Y167 HydrophobicContact CG-CD2 4.13Å; L97-Y167 HydrophobicContact CG-CE1 4.24Å; L97-Y167 HydrophobicContact CG-CE2 3.9Å; L97-Y167 HydrophobicContact CG-CG 4.39Å; L97-Y167 PolarHBondContact N-OH 3.5Å; L97-Y167 VanDerWaalsContact N-OH 3.17Å; L97-E472 PolarHBondContact N-OE1 3.5Å
98	H	98.5	Very high	96.2	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.046	25%	0.253	C	S	.	.	H	α-helix	trans	-68.4	-45.5	177.9	-66.1	-58	0	0	0	111	Y52 N96 K100 Q101 F102 Y167 Q170 E472 V475	Y52-H98 PolarHBondContact OH-ND1 3.46Å; N96-H98 VanDerWaalsContact C-N 3.35Å; N96-H98 PolarHBondContact O-N 3.48Å; H98-K100 VanDerWaalsContact C-N 3.26Å; H98-K100 PolarHBondContact O-N 3.31Å; H98-Q101 PolarHBondContact O-N 3.21Å; H98-F102 HydrophobicContact CB-CE2 4.46Å; H98-F102 WeakPolarHBondContact O-CD2 3.42Å; H98-F102 WeakPolarHBondContact O-CG 3.22Å; H98-F102 PolarHBondContact O-N 3.32Å; H98-Y167 AromaticContact CD2-CD1 3.93Å; H98-Y167 AromaticContact CD2-CE1 3.53Å; H98-Y167 AromaticContact NE2-CD1 3.65Å; H98-Y167 AromaticContact NE2-CE1 3.75Å; H98-Q170 PolarHBondContact NE2-OE1 3.33Å; H98-E472 VanDerWaalsContact CB-OE1 3.23Å; H98-E472 WeakPolarHBondContact CB-OE1 3.25Å; H98-E472 IonicContact CD2-OE1 2.72Å; H98-E472 PolarHBondContact CD2-OE1 2.9Å; H98-E472 VanDerWaalsContact CD2-OE1 3.29Å; H98-E472 IonicContact CG-OE1 3.98Å; H98-E472 PolarHBondContact N-OE1 2.9Å; H98-V475 HydrophobicContact CB-CB 4.27Å; H98-V475 HydrophobicContact CB-CG1 3.35Å
99	M	98.2	Very high	96.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.5	-39.6	175.3	-72	-63.2	-66.7	0	0	112	I44 I92 N96 F102 I103 W248 V257 M471 E472 V475	I44-M99 HydrophobicContact CD1-CE 4.46Å; I44-M99 HydrophobicContact CD1-SD 3.84Å; I44-M99 HydrophobicContact CG1-SD 4.06Å; I92-M99 HydrophobicContact CD1-CE 3.64Å; I92-M99 HydrophobicContact CG1-CE 4.36Å; I92-M99 HydrophobicContact CG2-CB 3.84Å; I92-M99 HydrophobicContact CG2-CG 4.28Å; N96-M99 HydrophobicContact CB-CB 4.28Å; N96-M99 PolarHBondContact O-N 3.09Å; M99-F102 PolarHBondContact O-N 3.18Å; M99-F102 HydrophobicContact SD-CD2 4.32Å; M99-I103 PolarHBondContact O-N 2.97Å; M99-W248 HydrophobicContact CB-CH2 4.23Å; M99-W248 HydrophobicContact CB-CZ2 4.27Å; M99-V257 HydrophobicContact CE-CB 4.29Å; M99-V257 HydrophobicContact CE-CG1 4.15Å; M99-V257 HydrophobicContact CE-CG2 3.92Å; M99-V257 HydrophobicContact SD-CG1 4.31Å; M99-M471 HydrophobicContact CE-SD 3.92Å; M99-M471 HydrophobicContact CG-CB 4.47Å; M99-M471 HydrophobicContact SD-CB 4.38Å; M99-E472 WeakPolarHBondContact CG-OE2 3.45Å; M99-E472 PolarHBondContact N-OE2 3.26Å; M99-V475 HydrophobicContact SD-CG2 4.13Å
100	K	97.9	Very high	96.8	Very high	90 Å²	90	51.1 Å²	51.1	39%	0.391	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-48.7	174.8	-172.3	179.1	178.1	179.6	0	111.9	N96 L97 H98 F102 I103 E104 W248	N96-K100 PolarHBondContact O-N 2.98Å; N96-K100 VanDerWaalsContact O-N 3.11Å; L97-K100 PolarHBondContact O-N 2.62Å; H98-K100 VanDerWaalsContact C-N 3.26Å; H98-K100 PolarHBondContact O-N 3.31Å; K100-F102 VanDerWaalsContact C-N 3.27Å; K100-F102 PolarHBondContact O-N 3.4Å; K100-I103 WeakPolarHBondContact O-CG1 3.38Å; K100-I103 PolarHBondContact O-N 2.83Å; K100-E104 WeakPolarHBondContact CE-OE1 3.34Å; K100-E104 WeakPolarHBondContact O-CG 3.19Å; K100-E104 PolarHBondContact O-N 2.91Å; K100-W248 HydrophobicContact CB-CZ2 4.3Å
101	Q	98	Very high	97.2	Very high	102 Å²	102	52.6 Å²	52.6	48%	0.477	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-37.1	177.3	-73.2	171.2	6.5	0	0	112.2	L97 H98 E104 K105	L97-Q101 WeakPolarHBondContact O-CB 3.15Å; L97-Q101 VanDerWaalsContact O-CG 3.23Å; L97-Q101 WeakPolarHBondContact O-CG 3.46Å; L97-Q101 PolarHBondContact O-N 3.11Å; H98-Q101 PolarHBondContact O-N 3.21Å; Q101-E104 PolarHBondContact O-N 3.25Å; Q101-K105 VanDerWaalsContact O-CB 3.29Å; Q101-K105 WeakPolarHBondContact O-CB 3.47Å; Q101-K105 PolarHBondContact O-N 3.06Å
102	F	98.6	Very high	97.4	Very high	5 Å²	5	54.4 Å²	54.4	2%	0.022	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-46.1	178.5	-67.4	-21.9	0	0	0	112.6	A48 Y51 Y52 H98 M99 K100 E104 K105 I106 V257 L261 V475	A48-F102 HydrophobicContact CB-CE2 4.03Å; A48-F102 HydrophobicContact CB-CZ 4.05Å; Y51-F102 AromaticContact CD1-CE1 3.96Å; Y51-F102 HydrophobicContact CD1-CE1 3.96Å; Y51-F102 HydrophobicContact CE1-CE1 4.09Å; Y52-F102 HydrophobicContact CE1-CE1 4.28Å; Y52-F102 HydrophobicContact CE1-CZ 4.49Å; Y52-F102 HydrophobicContact CE2-CE1 4.34Å; Y52-F102 AromaticContact CE2-CZ 3.75Å; Y52-F102 HydrophobicContact CE2-CZ 3.75Å; Y52-F102 AromaticContact CZ-CE1 3.75Å; Y52-F102 AromaticContact CZ-CZ 3.6Å; Y52-F102 WeakPolarHBondContact OH-CE1 3.34Å; Y52-F102 VanDerWaalsContact OH-CZ 3.3Å; Y52-F102 WeakPolarHBondContact OH-CZ 3.4Å; H98-F102 HydrophobicContact CB-CE2 4.46Å; H98-F102 WeakPolarHBondContact O-CD2 3.42Å; H98-F102 WeakPolarHBondContact O-CG 3.22Å; H98-F102 PolarHBondContact O-N 3.32Å; M99-F102 PolarHBondContact O-N 3.18Å; M99-F102 HydrophobicContact SD-CD2 4.32Å; K100-F102 VanDerWaalsContact C-N 3.27Å; K100-F102 PolarHBondContact O-N 3.4Å; F102-E104 VanDerWaalsContact C-N 3.3Å; F102-E104 PolarHBondContact O-N 3.2Å; F102-K105 PolarHBondContact O-N 3.27Å; F102-I106 HydrophobicContact CB-CD1 4.33Å; F102-I106 WeakPolarHBondContact O-CB 3.31Å; F102-I106 VanDerWaalsContact O-CD1 3.3Å; F102-I106 WeakPolarHBondContact O-CD1 3.49Å; F102-I106 WeakPolarHBondContact O-CG1 3.36Å; F102-I106 PolarHBondContact O-N 2.95Å; F102-V257 HydrophobicContact CB-CG1 3.96Å; F102-V257 HydrophobicContact CD2-CG1 3.97Å; F102-V257 HydrophobicContact CG-CG1 4.41Å; F102-L261 HydrophobicContact CB-CD2 4.36Å; F102-L261 HydrophobicContact CD1-CD2 3.65Å; F102-L261 HydrophobicContact CD2-CD1 3.77Å; F102-L261 HydrophobicContact CD2-CD2 4.08Å; F102-L261 HydrophobicContact CD2-CG 4.4Å; F102-L261 HydrophobicContact CE1-CD2 3.79Å; F102-L261 HydrophobicContact CE2-CD1 3.68Å; F102-L261 HydrophobicContact CE2-CD2 4.18Å; F102-L261 HydrophobicContact CG-CD1 4.31Å; F102-L261 HydrophobicContact CG-CD2 3.79Å; F102-L261 HydrophobicContact CG-CG 4.47Å; F102-L261 HydrophobicContact CZ-CD1 4.18Å; F102-L261 HydrophobicContact CZ-CD2 4.04Å; F102-V475 HydrophobicContact CE2-CB 4.38Å; F102-V475 HydrophobicContact CE2-CG1 3.42Å; F102-V475 VanDerWaalsContact CE2-CG1 3.42Å; F102-V475 HydrophobicContact CE2-CG2 3.95Å; F102-V475 HydrophobicContact CZ-CG1 3.64Å
103	I	97.8	Very high	97.2	Very high	10 Å²	10	61 Å²	61	5%	0.051	32%	0.315	C	S	.	.	H	α-helix	trans	-65.8	-36.2	179.4	61.6	157.6	0	0	0	111.9	M99 K100 I106 G107 I108 Q110 W248 V250 V257	M99-I103 PolarHBondContact O-N 2.97Å; K100-I103 WeakPolarHBondContact O-CG1 3.38Å; K100-I103 PolarHBondContact O-N 2.83Å; I103-I106 PolarHBondContact O-N 3.03Å; I103-G107 WeakPolarHBondContact O-CA 3.19Å; I103-G107 PolarHBondContact O-N 2.82Å; I103-I108 PolarHBondContact O-N 3.36Å; I103-I108 VanDerWaalsContact O-N 3.09Å; I103-Q110 HydrophobicContact CD1-CG 3.63Å; I103-W248 HydrophobicContact CD1-CE3 4.33Å; I103-W248 HydrophobicContact CD1-CH2 3.69Å; I103-W248 HydrophobicContact CD1-CZ3 3.58Å; I103-W248 HydrophobicContact CG1-CH2 4.04Å; I103-W248 HydrophobicContact CG1-CZ3 4.3Å; I103-W248 HydrophobicContact CG2-CH2 4.15Å; I103-W248 HydrophobicContact CG2-CZ3 4.12Å; I103-V250 HydrophobicContact CG2-CG2 3.84Å; I103-V257 HydrophobicContact CG2-CG2 4.04Å
104	E	97.3	Very high	97	Very high	126 Å²	126	60.7 Å²	60.7	59%	0.589	32%	0.315	S	S	*	.	H	α-helix	trans	-63.3	-42.9	173.9	-70.8	173.2	-174.6	0	0	111	K100 Q101 F102 G107	K100-E104 WeakPolarHBondContact CE-OE1 3.34Å; K100-E104 WeakPolarHBondContact O-CG 3.19Å; K100-E104 PolarHBondContact O-N 2.91Å; Q101-E104 PolarHBondContact O-N 3.25Å; F102-E104 VanDerWaalsContact C-N 3.3Å; F102-E104 PolarHBondContact O-N 3.2Å; E104-G107 PolarHBondContact O-N 2.84Å
105	K	96.9	Very high	96.8	Very high	121 Å²	121	63.7 Å²	63.7	53%	0.526	33%	0.334	S	S	.	.	H	α-helix	trans	-67.5	-41.3	178.8	-174.3	66.6	169.4	-166	0	113	Q101 F102 G107	Q101-K105 VanDerWaalsContact O-CB 3.29Å; Q101-K105 WeakPolarHBondContact O-CB 3.47Å; Q101-K105 PolarHBondContact O-N 3.06Å; F102-K105 PolarHBondContact O-N 3.27Å; K105-G107 VanDerWaalsContact C-N 3.32Å
106	I	97.8	Very high	96.5	Very high	34 Å²	34	63.8 Å²	63.8	17%	0.174	34%	0.34	C	S	.	.	H	α-helix	trans	-77.3	-24.7	-179.3	-57.9	159.4	0	0	0	110.4	F102 I103 I108 V257 L261	F102-I106 HydrophobicContact CB-CD1 4.33Å; F102-I106 WeakPolarHBondContact O-CB 3.31Å; F102-I106 VanDerWaalsContact O-CD1 3.3Å; F102-I106 WeakPolarHBondContact O-CD1 3.49Å; F102-I106 WeakPolarHBondContact O-CG1 3.36Å; F102-I106 PolarHBondContact O-N 2.95Å; I103-I106 PolarHBondContact O-N 3.03Å; I106-I108 HydrophobicContact CB-CD1 4.33Å; I106-I108 HydrophobicContact CB-CG1 4.32Å; I106-I108 HydrophobicContact CG2-CD1 3.51Å; I106-I108 HydrophobicContact CG2-CG1 3.71Å; I106-V257 HydrophobicContact CD1-CG1 4.26Å; I106-L261 HydrophobicContact CD1-CG 4.45Å
107	G	97.5	Very high	96.2	Very high	63 Å²	63	64.4 Å²	64.4	65%	0.649	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	32.6	-177.7	0	0	0	0	0	113.1	I103 E104 K105	I103-G107 WeakPolarHBondContact O-CA 3.19Å; I103-G107 PolarHBondContact O-N 2.82Å; E104-G107 PolarHBondContact O-N 2.84Å; K105-G107 VanDerWaalsContact C-N 3.32Å
108	I	96.3	Very high	96	Very high	33 Å²	33	64.5 Å²	64.5	17%	0.169	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-103.4	128.7	176.4	-57.7	172.8	0	0	0	108.5	I103 I106 V250 K256	I103-I108 PolarHBondContact O-N 3.36Å; I103-I108 VanDerWaalsContact O-N 3.09Å; I106-I108 HydrophobicContact CB-CD1 4.33Å; I106-I108 HydrophobicContact CB-CG1 4.32Å; I106-I108 HydrophobicContact CG2-CD1 3.51Å; I106-I108 HydrophobicContact CG2-CG1 3.71Å; I108-V250 HydrophobicContact CB-CG1 4.41Å; I108-V250 HydrophobicContact CG2-CG1 3.54Å; I108-K256 HydrophobicContact CD1-CB 3.89Å; I108-K256 HydrophobicContact CD1-CD 4.36Å
109	P	97.3	Very high	95.8	Very high	79 Å²	79	64 Å²	64	51%	0.513	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-72.6	161.8	179.1	30.2	-33.8	0	0	0	111.9	D251	P109-D251 HydrophobicContact CG-CB 3.93Å; P109-D251 WeakPolarHBondContact O-CB 3.47Å; P109-D251 PolarHBondContact O-N 3.13Å
110	Q	97.8	Very high	95.6	Very high	95 Å²	95	64.2 Å²	64.2	44%	0.444	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-66.4	144	163.3	-63.8	-176.8	-19.8	0	0	109.4	I103 W248 A249	I103-Q110 HydrophobicContact CD1-CG 3.63Å; Q110-W248 HydrophobicContact CG-CD2 4.21Å; Q110-W248 HydrophobicContact CG-CE3 3.75Å; Q110-W248 HydrophobicContact CG-CZ3 4.26Å; Q110-A249 WeakPolarHBondContact CA-O 3.24Å
111	R	97.2	Very high	95.5	Very high	61 Å²	61	60 Å²	60	23%	0.23	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-60.5	138.5	172.6	-170.8	179.4	75	150.5	0.6	108.9	D113 A249 D389 P390 V391 I393	R111-D113 PolarHBondContact O-N 3.12Å; R111-A249 HydrophobicContact CB-CB 4.3Å; R111-A249 WeakPolarHBondContact CB-O 3.48Å; R111-A249 PolarHBondContact N-O 2.62Å; R111-D389 PolarHBondContact NH1-O 2.84Å; R111-P390 WeakPolarHBondContact CD-O 3.44Å; R111-P390 PolarHBondContact NH1-O 2.98Å; R111-V391 WeakPolarHBondContact CD-O 3.31Å; R111-V391 WeakPolarHBondContact CG-O 3.33Å; R111-I393 HydrophobicContact CG-CD1 4.42Å; R111-I393 HydrophobicContact CG-CG1 3.72Å
112	K	96.6	Very high	95.2	Very high	112 Å²	112	57.4 Å²	57.4	49%	0.487	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-56.9	139.7	173.3	-63.4	177.9	-177.4	170	0	109.7	I393 D395	K112-I393 HydrophobicContact CB-CB 4.07Å; K112-I393 HydrophobicContact CB-CG1 4.23Å; K112-I393 HydrophobicContact CB-CG2 4.34Å; K112-I393 WeakPolarHBondContact O-CG1 3.39Å; K112-D395 IonicContact NZ-OD1 2.71Å; K112-D395 PolarHBondContact NZ-OD1 2.85Å
113	D	92.8	Very high	94.9	Very high	139 Å²	139	58.6 Å²	58.6	74%	0.743	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-74.8	144.8	178.5	-171.1	32.5	0	0	0	111.1	R111	R111-D113 PolarHBondContact O-N 3.12Å
114	V	93.3	Very high	94.7	Very high	13 Å²	13	65.3 Å²	65.3	8%	0.079	35%	0.353	C	S	.	.			trans	-128.4	115	176.8	-176.8	0	0	0	0	107.5	S116 D389 I393 Y397 R399	V114-S116 PolarHBondContact O-N 3.33Å; V114-D389 HydrophobicContact CG2-CB 4.39Å; V114-I393 HydrophobicContact CG2-CD1 3.69Å; V114-I393 HydrophobicContact CG2-CG1 4.07Å; V114-I393 HydrophobicContact CG2-CG2 4.22Å; V114-Y397 HydrophobicContact CG1-CE1 4.26Å; V114-Y397 HydrophobicContact CG2-CD1 4.15Å; V114-Y397 HydrophobicContact CG2-CE1 4.27Å; V114-R399 HydrophobicContact CG1-CB 4.28Å; V114-R399 VanDerWaalsContact CG1-NH2 3.33Å; V114-R399 PolarHBondContact O-NH2 3.06Å
115	P	91.1	Very high	94.5	Very high	110 Å²	110	63.7 Å²	63.7	71%	0.714	35%	0.345	S	S	*	.			trans	-49.9	124.6	-173.3	-28.8	34.2	0	0	0	112.2	R399	P115-R399 PolarHBondContact O-NH1 3.13Å
116	S	90	Very high	94.3	Very high	62 Å²	62	59.5 Å²	59.5	43%	0.434	33%	0.328	S	S	.	.			trans	-110.6	157.9	179.4	56.7	0	0	0	0	111.1	V114 S370	V114-S116 PolarHBondContact O-N 3.33Å; S116-S370 VanDerWaalsContact CA-OG 3.29Å; S116-S370 WeakPolarHBondContact CA-OG 3.38Å; S116-S370 WeakPolarHBondContact CB-OG 3.42Å
117	K	91.9	Very high	94	Very high	38 Å²	38	59.7 Å²	59.7	17%	0.165	33%	0.331	C	S	.	.			trans	-134.2	140.9	169.9	-72.5	-179.3	-177.2	175.9	0	108.9	D132 T368 V369 S370 E371	K117-D132 WeakPolarHBondContact CE-OD1 3.29Å; K117-D132 IonicContact NZ-OD1 2.74Å; K117-D132 PolarHBondContact NZ-OD1 3.21Å; K117-D132 IonicContact NZ-OD2 3.11Å; K117-D132 PolarHBondContact NZ-OD2 3.11Å; K117-T368 PolarHBondContact NZ-OG1 3.06Å; K117-V369 WeakPolarHBondContact O-CG1 3.38Å; K117-S370 PolarHBondContact N-OG 3.5Å; K117-S370 VanDerWaalsContact N-OG 3.14Å; K117-S370 PolarHBondContact O-N 3.46Å; K117-S370 PolarHBondContact O-OG 2.86Å; K117-E371 PolarHBondContact O-N 3.3Å
118	M	93.1	Very high	93.6	Very high	52 Å²	52	58.1 Å²	58.1	26%	0.256	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	152.3	177	72.5	163.3	-61.8	0	0	113.9	I120 F128 E130 E371 L373	M118-I120 HydrophobicContact CE-CD1 4.13Å; M118-I120 HydrophobicContact CE-CG1 3.83Å; M118-F128 HydrophobicContact CG-CE1 4.19Å; M118-F128 HydrophobicContact SD-CE1 4.34Å; M118-E130 HydrophobicContact CG-CB 4.07Å; M118-E130 PolarHBondContact N-OE2 2.77Å; M118-E130 VanDerWaalsContact O-CB 3.25Å; M118-E130 WeakPolarHBondContact O-CB 3.46Å; M118-E130 PolarHBondContact O-N 2.96Å; M118-E371 CarbonylContact C-O 3.53Å; M118-E371 VanDerWaalsContact CA-O 3.24Å; M118-E371 WeakPolarHBondContact CA-O 3.36Å; M118-E371 HydrophobicContact CB-CB 4.36Å; M118-L373 HydrophobicContact CB-CD1 4.49Å; M118-L373 HydrophobicContact CE-CD1 4.15Å; M118-L373 HydrophobicContact CE-CD2 4.15Å
119	A	94.8	Very high	93.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	159.9	165.7	0	0	0	0	0	110.6	L126 F128 E129 V369 E371 I372 L373	A119-L126 HydrophobicContact CB-CD1 4.28Å; A119-L126 HydrophobicContact CB-CD2 4.09Å; A119-F128 CarbonylContact C-O 3.54Å; A119-F128 WeakPolarHBondContact CA-O 3.41Å; A119-F128 VanDerWaalsContact CB-O 3.31Å; A119-F128 WeakPolarHBondContact CB-O 3.4Å; A119-E129 HydrophobicContact CB-CB 4.43Å; A119-E129 HydrophobicContact CB-CG 4.35Å; A119-V369 HydrophobicContact CB-CG1 3.66Å; A119-V369 HydrophobicContact CB-CG2 4.29Å; A119-E371 PolarHBondContact N-O 3.35Å; A119-I372 WeakPolarHBondContact O-CA 3.22Å; A119-L373 PolarHBondContact O-N 3.04Å
120	I	94.6	Very high	92.8	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.6	176.4	-54.4	179.5	0	0	0	108.5	M118 L126 V127 F128 D215 I216 P219 L373 T375	M118-I120 HydrophobicContact CE-CD1 4.13Å; M118-I120 HydrophobicContact CE-CG1 3.83Å; I120-L126 CarbonylContact O-C 3.5Å; I120-L126 WeakPolarHBondContact O-CA 3.45Å; I120-V127 HydrophobicContact CB-CG2 4.03Å; I120-V127 HydrophobicContact CG2-CG2 3.82Å; I120-V127 WeakPolarHBondContact O-CG2 3.36Å; I120-V127 PolarHBondContact O-N 3.36Å; I120-F128 HydrophobicContact CB-CB 4.07Å; I120-F128 HydrophobicContact CD1-CB 4.14Å; I120-F128 HydrophobicContact CD1-CD1 4.32Å; I120-F128 HydrophobicContact CD1-CG 4.46Å; I120-F128 HydrophobicContact CG1-CB 4.1Å; I120-F128 HydrophobicContact CG1-CD1 4.22Å; I120-F128 PolarHBondContact N-O 3.18Å; I120-D215 VanDerWaalsContact CD1-O 3.31Å; I120-D215 WeakPolarHBondContact CD1-O 3.4Å; I120-I216 HydrophobicContact CD1-CD1 3.88Å; I120-P219 HydrophobicContact CG2-CB 4.33Å; I120-P219 HydrophobicContact CG2-CG 3.85Å; I120-L373 CarbonylContact C-O 3.58Å; I120-L373 WeakPolarHBondContact CA-O 3.42Å; I120-T375 HydrophobicContact CG2-CG2 3.7Å
121	F	94.9	Very high	92.2	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.009	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.3	-179.6	178.6	-124.6	0	0	0	110.5	G123 K124 E125 L126 Y357 L358 I372 L373 T374 T375	F121-G123 VanDerWaalsContact CE1-CA 3.41Å; F121-G123 VanDerWaalsContact CZ-CA 3.42Å; F121-G123 WeakPolarHBondContact CZ-O 3.13Å; F121-K124 VanDerWaalsContact CE2-C 3.49Å; F121-E125 WeakPolarHBondContact CD2-O 3.29Å; F121-L126 HydrophobicContact CB-CD2 3.94Å; F121-L126 HydrophobicContact CD2-CD2 4.18Å; F121-L126 HydrophobicContact CG-CD2 4.49Å; F121-Y357 AromaticContact CE1-CE1 3.86Å; F121-Y357 HydrophobicContact CE1-CE1 3.86Å; F121-Y357 HydrophobicContact CZ-CE1 4.25Å; F121-Y357 WeakPolarHBondContact CZ-O 3.23Å; F121-L358 HydrophobicContact CD1-CD2 4.46Å; F121-L358 HydrophobicContact CD2-CD2 4.29Å; F121-L358 HydrophobicContact CE2-CD2 4.49Å; F121-L358 HydrophobicContact CG-CD2 4.27Å; F121-I372 HydrophobicContact CB-CG2 3.69Å; F121-L373 PolarHBondContact N-O 3.23Å; F121-T374 HydrophobicContact CD1-CG2 4.18Å; F121-T374 VanDerWaalsContact O-CA 3.29Å; F121-T374 WeakPolarHBondContact O-CA 3.5Å; F121-T375 PolarHBondContact O-N 3.35Å
122	D	92.8	Very high	91.5	Very high	47 Å²	47	58.9 Å²	58.9	25%	0.251	31%	0.313	S	S	.	.			trans	-94.6	2.6	-178.8	78.4	-13.8	0	0	0	114.5	K124 E125 V127 T375 S377 C380	D122-K124 WeakPolarHBondContact OD1-CA 3.2Å; D122-K124 PolarHBondContact OD1-N 2.86Å; D122-E125 PolarHBondContact N-O 3.29Å; D122-E125 VanDerWaalsContact N-O 3.13Å; D122-E125 PolarHBondContact OD1-N 2.93Å; D122-V127 HydrophobicContact CB-CG1 3.8Å; D122-T375 WeakPolarHBondContact CA-OG1 3.42Å; D122-T375 HydrophobicContact CB-CG2 4.31Å; D122-S377 WeakPolarHBondContact O-CB 3.27Å; D122-S377 PolarHBondContact O-OG 3.3Å; D122-C380 PolarHBondContact O-SG 2.92Å; D122-C380 VanDerWaalsContact O-SG 3.39Å
123	G	92.4	Very high	90.7	Very high	29 Å²	29	62 Å²	62	30%	0.299	32%	0.322	S	S	.	.	S	Bend	trans	100.4	-9.4	-173.9	0	0	0	0	0	113.4	F121 C380	F121-G123 VanDerWaalsContact CE1-CA 3.41Å; F121-G123 VanDerWaalsContact CZ-CA 3.42Å; F121-G123 WeakPolarHBondContact CZ-O 3.13Å; G123-C380 PolarHBondContact N-SG 3.27Å
124	K	92.3	Very high	89.9	Confident	152 Å²	152	63 Å²	63	66%	0.661	32%	0.319	S	S	*	.	S	Bend	trans	-129.9	-45.7	177.5	-175.5	-170.8	170.8	-154.7	0	112.5	F121 D122 G359	F121-K124 VanDerWaalsContact CE2-C 3.49Å; D122-K124 WeakPolarHBondContact OD1-CA 3.2Å; D122-K124 PolarHBondContact OD1-N 2.86Å; K124-G359 WeakPolarHBondContact O-CA 3.46Å
125	E	93.3	Very high	89	Confident	92 Å²	92	66.9 Å²	66.9	43%	0.43	34%	0.339	S	S	.	.	S	Bend	trans	-144.2	164.1	-178.4	67.2	-166.5	154.5	0	0	112.8	F121 D122 V127 L358	F121-E125 WeakPolarHBondContact CD2-O 3.29Å; D122-E125 PolarHBondContact N-O 3.29Å; D122-E125 VanDerWaalsContact N-O 3.13Å; D122-E125 PolarHBondContact OD1-N 2.93Å; E125-V127 HydrophobicContact CG-CG1 4.43Å; E125-V127 PolarHBondContact O-N 3.3Å; E125-L358 CarbonylContact C-O 3.48Å; E125-L358 WeakPolarHBondContact CA-O 3.47Å
126	L	93.2	Very high	88.4	Confident	32 Å²	32	64 Å²	64	17%	0.168	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	111.5	171.6	-61.2	-177.8	0	0	0	109.5	A119 I120 F121 L358 F367 I372	A119-L126 HydrophobicContact CB-CD1 4.28Å; A119-L126 HydrophobicContact CB-CD2 4.09Å; I120-L126 CarbonylContact O-C 3.5Å; I120-L126 WeakPolarHBondContact O-CA 3.45Å; F121-L126 HydrophobicContact CB-CD2 3.94Å; F121-L126 HydrophobicContact CD2-CD2 4.18Å; F121-L126 HydrophobicContact CG-CD2 4.49Å; L126-L358 HydrophobicContact CD1-CB 4.48Å; L126-L358 HydrophobicContact CD2-CB 4.1Å; L126-L358 HydrophobicContact CG-CB 4.17Å; L126-L358 PolarHBondContact N-O 3.31Å; L126-F367 HydrophobicContact CD1-CE2 3.83Å; L126-F367 HydrophobicContact CD1-CZ 4.26Å; L126-I372 HydrophobicContact CD2-CG2 4.35Å
127	V	90.7	Very high	88	Confident	39 Å²	39	61.8 Å²	61.8	24%	0.236	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-12.7	-179.3	-63.9	0	0	0	0	113	I120 D122 E125 R144	I120-V127 HydrophobicContact CB-CG2 4.03Å; I120-V127 HydrophobicContact CG2-CG2 3.82Å; I120-V127 WeakPolarHBondContact O-CG2 3.36Å; I120-V127 PolarHBondContact O-N 3.36Å; D122-V127 HydrophobicContact CB-CG1 3.8Å; E125-V127 HydrophobicContact CG-CG1 4.43Å; E125-V127 PolarHBondContact O-N 3.3Å; V127-R144 PolarHBondContact O-NH1 2.92Å
128	F	89.5	Confident	87.3	Confident	30 Å²	30	63.8 Å²	63.8	13%	0.132	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	141.1	171.6	177.5	-94.8	0	0	0	109.3	M118 A119 I120 E130 M141	M118-F128 HydrophobicContact CG-CE1 4.19Å; M118-F128 HydrophobicContact SD-CE1 4.34Å; A119-F128 CarbonylContact C-O 3.54Å; A119-F128 WeakPolarHBondContact CA-O 3.41Å; A119-F128 VanDerWaalsContact CB-O 3.31Å; A119-F128 WeakPolarHBondContact CB-O 3.4Å; I120-F128 HydrophobicContact CB-CB 4.07Å; I120-F128 HydrophobicContact CD1-CB 4.14Å; I120-F128 HydrophobicContact CD1-CD1 4.32Å; I120-F128 HydrophobicContact CD1-CG 4.46Å; I120-F128 HydrophobicContact CG1-CB 4.1Å; I120-F128 HydrophobicContact CG1-CD1 4.22Å; I120-F128 PolarHBondContact N-O 3.18Å; F128-E130 HydrophobicContact CE1-CB 4.28Å; F128-M141 HydrophobicContact CE2-SD 4Å; F128-M141 HydrophobicContact CZ-SD 4.49Å
129	E	89.6	Confident	86.7	Confident	62 Å²	62	66.1 Å²	66.1	29%	0.29	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	131.8	172.4	-170.8	-176.1	114.4	0	0	108.7	A119 R140 V369	A119-E129 HydrophobicContact CB-CB 4.43Å; A119-E129 HydrophobicContact CB-CG 4.35Å; E129-R140 PolarHBondContact O-NH1 2.79Å; E129-V369 HydrophobicContact CG-CG2 3.84Å
130	E	87.4	Confident	86.1	Confident	64 Å²	64	72.2 Å²	72.2	30%	0.299	35%	0.347	S	S	.	.			trans	-74.5	126	179.5	-167.3	175.7	-160.4	0	0	111.4	M118 F128 N137	M118-E130 HydrophobicContact CG-CB 4.07Å; M118-E130 PolarHBondContact N-OE2 2.77Å; M118-E130 VanDerWaalsContact O-CB 3.25Å; M118-E130 WeakPolarHBondContact O-CB 3.46Å; M118-E130 PolarHBondContact O-N 2.96Å; F128-E130 HydrophobicContact CE1-CB 4.28Å; E130-N137 WeakPolarHBondContact CG-ND2 3.5Å
131	S	84.3	Confident	85.4	Confident	33 Å²	33	73 Å²	73	23%	0.231	35%	0.35	C	S	.	.			trans	-82.1	155.4	173.3	-175.2	0	0	0	0	111.4	W133 N137	S131-W133 PolarHBondContact O-N 2.9Å; S131-W133 VanDerWaalsContact O-N 3.14Å; S131-W133 PolarHBondContact OG-N 3.42Å; S131-N137 VanDerWaalsContact CB-OD1 3.29Å; S131-N137 WeakPolarHBondContact CB-OD1 3.42Å; S131-N137 PolarHBondContact N-OD1 2.89Å; S131-N137 PolarHBondContact O-ND2 3.48Å
132	D	82.3	Confident	84.9	Confident	124 Å²	124	76 Å²	76	66%	0.663	37%	0.366	S	S	*	.	S	Bend	trans	-58.3	-22.6	168	-65.4	-64.8	0	0	0	113.4	K117	K117-D132 WeakPolarHBondContact CE-OD1 3.29Å; K117-D132 IonicContact NZ-OD1 2.74Å; K117-D132 PolarHBondContact NZ-OD1 3.21Å; K117-D132 IonicContact NZ-OD2 3.11Å; K117-D132 PolarHBondContact NZ-OD2 3.11Å
133	W	79.7	Confident	84.4	Confident	178 Å²	178	84.8 Å²	84.8	67%	0.674	40%	0.396	S	S	*	.			trans	-96.9	105.2	-176.8	-60.4	86.4	0	0	0	110.7	S131 I135 V136 N137	S131-W133 PolarHBondContact O-N 2.9Å; S131-W133 VanDerWaalsContact O-N 3.14Å; S131-W133 PolarHBondContact OG-N 3.42Å; W133-I135 HydrophobicContact CB-CG2 4.48Å; W133-I135 PolarHBondContact O-N 3.02Å; W133-I135 VanDerWaalsContact O-N 3.09Å; W133-V136 HydrophobicContact CB-CB 4.1Å; W133-V136 HydrophobicContact CB-CG2 3.67Å; W133-V136 HydrophobicContact CG-CG2 4.44Å; W133-V136 WeakPolarHBondContact O-CB 3.29Å; W133-V136 PolarHBondContact O-N 3.26Å; W133-N137 PolarHBondContact O-N 2.89Å
134	F	77.8	Confident	84	Confident	159 Å²	159	89.5 Å²	89.5	70%	0.697	41%	0.405	S	S	*	.	H	α-helix	trans	-47.1	-42.7	176.7	175.4	-97.2	0	0	0	113.2	V136 N137 F138	F134-V136 VanDerWaalsContact C-N 3.29Å; F134-V136 PolarHBondContact O-N 2.74Å; F134-N137 PolarHBondContact O-N 3.14Å; F134-F138 WeakPolarHBondContact O-CB 3.41Å; F134-F138 PolarHBondContact O-N 2.96Å
135	I	73.3	Confident	83.5	Confident	96 Å²	96	83.3 Å²	83.3	49%	0.492	38%	0.377	S	S	.	.	H	α-helix	trans	-63.5	-33.4	-179.7	-166.2	62.4	0	0	0	112.8	W133 I139	W133-I135 HydrophobicContact CB-CG2 4.48Å; W133-I135 PolarHBondContact O-N 3.02Å; W133-I135 VanDerWaalsContact O-N 3.09Å; I135-I139 HydrophobicContact CG1-CD1 4.03Å; I135-I139 WeakPolarHBondContact O-CB 3.47Å; I135-I139 VanDerWaalsContact O-CG1 3.25Å; I135-I139 WeakPolarHBondContact O-CG1 3.41Å; I135-I139 PolarHBondContact O-N 2.87Å
136	V	79.6	Confident	83.2	Confident	49 Å²	49	80.6 Å²	80.6	30%	0.297	37%	0.374	S	S	.	.	H	α-helix	trans	-69.6	-44.3	177.6	175.5	0	0	0	0	109.7	W133 F134 F138 I139 R140	W133-V136 HydrophobicContact CB-CB 4.1Å; W133-V136 HydrophobicContact CB-CG2 3.67Å; W133-V136 HydrophobicContact CG-CG2 4.44Å; W133-V136 WeakPolarHBondContact O-CB 3.29Å; W133-V136 PolarHBondContact O-N 3.26Å; F134-V136 VanDerWaalsContact C-N 3.29Å; F134-V136 PolarHBondContact O-N 2.74Å; V136-F138 VanDerWaalsContact C-N 3.34Å; V136-F138 PolarHBondContact O-N 2.87Å; V136-I139 PolarHBondContact O-N 3.09Å; V136-R140 HydrophobicContact CG1-CG 4.49Å; V136-R140 WeakPolarHBondContact O-CB 3.3Å; V136-R140 VanDerWaalsContact O-CG 3.3Å; V136-R140 WeakPolarHBondContact O-CG 3.11Å; V136-R140 PolarHBondContact O-N 3.36Å
137	N	81.1	Confident	82.9	Confident	15 Å²	15	85 Å²	85	8%	0.08	40%	0.397	C	S	.	.	H	α-helix	trans	-60.1	-47	175.9	-60.1	-28.3	0	0	0	110.5	E130 S131 W133 F134 I139 R140 M141	E130-N137 WeakPolarHBondContact CG-ND2 3.5Å; S131-N137 VanDerWaalsContact CB-OD1 3.29Å; S131-N137 WeakPolarHBondContact CB-OD1 3.42Å; S131-N137 PolarHBondContact N-OD1 2.89Å; S131-N137 PolarHBondContact O-ND2 3.48Å; W133-N137 PolarHBondContact O-N 2.89Å; F134-N137 PolarHBondContact O-N 3.14Å; N137-I139 PolarHBondContact O-N 3.04Å; N137-R140 PolarHBondContact O-N 3.27Å; N137-M141 WeakPolarHBondContact O-CB 3.43Å; N137-M141 VanDerWaalsContact O-CG 3.31Å; N137-M141 WeakPolarHBondContact O-CG 3.09Å; N137-M141 PolarHBondContact O-N 3.25Å
138	F	76.6	Confident	82.8	Confident	81 Å²	81	83.7 Å²	83.7	36%	0.355	39%	0.391	S	S	.	.	H	α-helix	trans	-59.6	-47.6	178.6	-174.4	-105.1	0	0	0	112.8	F134 V136 M141 I142	F134-F138 WeakPolarHBondContact O-CB 3.41Å; F134-F138 PolarHBondContact O-N 2.96Å; V136-F138 VanDerWaalsContact C-N 3.34Å; V136-F138 PolarHBondContact O-N 2.87Å; F138-M141 PolarHBondContact O-N 3.37Å; F138-I142 HydrophobicContact CD1-CD1 3.83Å; F138-I142 HydrophobicContact CE1-CD1 3.25Å; F138-I142 HydrophobicContact CE1-CG1 4.39Å; F138-I142 HydrophobicContact CE2-CD1 4.09Å; F138-I142 HydrophobicContact CG-CD1 4.47Å; F138-I142 HydrophobicContact CZ-CD1 3.41Å; F138-I142 VanDerWaalsContact CZ-CD1 3.41Å; F138-I142 HydrophobicContact CZ-CG1 4.39Å; F138-I142 WeakPolarHBondContact O-CG1 3.42Å; F138-I142 PolarHBondContact O-N 3.47Å
139	I	80.1	Confident	82.6	Confident	100 Å²	100	86.1 Å²	86.1	51%	0.513	40%	0.402	S	S	.	.	H	α-helix	trans	-63.8	-43.5	178	-69.1	167.7	0	0	0	111.1	I135 V136 N137 M141 I142 W143	I135-I139 HydrophobicContact CG1-CD1 4.03Å; I135-I139 WeakPolarHBondContact O-CB 3.47Å; I135-I139 VanDerWaalsContact O-CG1 3.25Å; I135-I139 WeakPolarHBondContact O-CG1 3.41Å; I135-I139 PolarHBondContact O-N 2.87Å; V136-I139 PolarHBondContact O-N 3.09Å; N137-I139 PolarHBondContact O-N 3.04Å; I139-M141 VanDerWaalsContact C-N 3.32Å; I139-M141 PolarHBondContact O-N 2.85Å; I139-I142 PolarHBondContact O-N 3.42Å; I139-W143 WeakPolarHBondContact O-CB 3.23Å; I139-W143 PolarHBondContact O-N 2.82Å
140	R	82.9	Confident	82.6	Confident	128 Å²	128	86.1 Å²	86.1	48%	0.483	41%	0.406	S	S	.	.	H	α-helix	trans	-59.5	-44	176.8	-75.4	176	179.5	-175	0	111.4	E129 V136 N137 W143 R144	E129-R140 PolarHBondContact O-NH1 2.79Å; V136-R140 HydrophobicContact CG1-CG 4.49Å; V136-R140 WeakPolarHBondContact O-CB 3.3Å; V136-R140 VanDerWaalsContact O-CG 3.3Å; V136-R140 WeakPolarHBondContact O-CG 3.11Å; V136-R140 PolarHBondContact O-N 3.36Å; N137-R140 PolarHBondContact O-N 3.27Å; R140-W143 PolarHBondContact O-N 3.49Å; R140-R144 WeakPolarHBondContact O-CB 3.43Å; R140-R144 PolarHBondContact O-N 2.87Å
141	M	80.8	Confident	82.8	Confident	20 Å²	20	88.4 Å²	88.4	10%	0.099	41%	0.412	C	S	.	.	H	α-helix	trans	-63.4	-45.2	177.7	-74.3	-55.9	-61.5	0	0	112	F128 N137 F138 I139 Y145 F149 F212 I216	F128-M141 HydrophobicContact CE2-SD 4Å; F128-M141 HydrophobicContact CZ-SD 4.49Å; N137-M141 WeakPolarHBondContact O-CB 3.43Å; N137-M141 VanDerWaalsContact O-CG 3.31Å; N137-M141 WeakPolarHBondContact O-CG 3.09Å; N137-M141 PolarHBondContact O-N 3.25Å; F138-M141 PolarHBondContact O-N 3.37Å; I139-M141 VanDerWaalsContact C-N 3.32Å; I139-M141 PolarHBondContact O-N 2.85Å; M141-Y145 HydrophobicContact CE-CD2 3.47Å; M141-Y145 VanDerWaalsContact CE-CD2 3.47Å; M141-Y145 HydrophobicContact CE-CE2 4.01Å; M141-Y145 HydrophobicContact CE-CG 4.35Å; M141-Y145 WeakPolarHBondContact O-CA 3.46Å; M141-Y145 WeakPolarHBondContact O-CB 3.44Å; M141-Y145 PolarHBondContact O-N 3.42Å; M141-Y145 HydrophobicContact SD-CD2 3.82Å; M141-Y145 HydrophobicContact SD-CE2 3.98Å; M141-F149 HydrophobicContact CE-CB 4.04Å; M141-F149 HydrophobicContact CE-CD2 4.12Å; M141-F149 HydrophobicContact CE-CG 4.41Å; M141-F212 HydrophobicContact CE-CE2 4.08Å; M141-I216 HydrophobicContact CE-CD1 3.98Å; M141-I216 HydrophobicContact CE-CG1 4.18Å; M141-I216 HydrophobicContact SD-CD1 4.33Å
142	I	83.9	Confident	83.3	Confident	67 Å²	67	86.9 Å²	86.9	34%	0.344	40%	0.401	S	S	.	.	H	α-helix	trans	-63.8	-44	176.2	-72.3	179	0	0	0	111.5	F138 I139 R144 G146	F138-I142 HydrophobicContact CD1-CD1 3.83Å; F138-I142 HydrophobicContact CE1-CD1 3.25Å; F138-I142 HydrophobicContact CE1-CG1 4.39Å; F138-I142 HydrophobicContact CE2-CD1 4.09Å; F138-I142 HydrophobicContact CG-CD1 4.47Å; F138-I142 HydrophobicContact CZ-CD1 3.41Å; F138-I142 VanDerWaalsContact CZ-CD1 3.41Å; F138-I142 HydrophobicContact CZ-CG1 4.39Å; F138-I142 WeakPolarHBondContact O-CG1 3.42Å; F138-I142 PolarHBondContact O-N 3.47Å; I139-I142 PolarHBondContact O-N 3.42Å; I142-R144 PolarHBondContact O-N 3.21Å; I142-G146 WeakPolarHBondContact CA-O 3.45Å; I142-G146 WeakPolarHBondContact O-CA 3.15Å; I142-G146 PolarHBondContact O-N 2.96Å
143	W	82.8	Confident	83.7	Confident	231 Å²	231	83 Å²	83	88%	0.875	38%	0.379	S	S	*	.	H	α-helix	trans	-62.6	-43.4	-178	-175.9	-91.6	0	0	0	112.1	I139 R140	I139-W143 WeakPolarHBondContact O-CB 3.23Å; I139-W143 PolarHBondContact O-N 2.82Å; R140-W143 PolarHBondContact O-N 3.49Å
144	R	82.6	Confident	84.4	Confident	127 Å²	127	80.4 Å²	80.4	48%	0.479	38%	0.376	S	S	.	.	H	α-helix	trans	-85.8	-34.8	-175.4	-170.4	169.7	174.2	175.5	-11.2	113.5	V127 R140 I142 D215	V127-R144 PolarHBondContact O-NH1 2.92Å; R140-R144 WeakPolarHBondContact O-CB 3.43Å; R140-R144 PolarHBondContact O-N 2.87Å; I142-R144 PolarHBondContact O-N 3.21Å; R144-D215 IonicContact CZ-OD2 2.72Å; R144-D215 IonicContact NE-OD2 2.7Å; R144-D215 IonicContact NH2-OD2 3.8Å; R144-D215 PolarHBondContact NH2-OD2 2.93Å
145	Y	83	Confident	85.3	Confident	23 Å²	23	73.8 Å²	73.8	9%	0.09	35%	0.346	C	S	.	.	H	α-helix	trans	-125.6	5.1	-170.3	-54.4	-68.6	0	0	0	114.2	M141 G148 F212 D215 I216	M141-Y145 HydrophobicContact CE-CD2 3.47Å; M141-Y145 VanDerWaalsContact CE-CD2 3.47Å; M141-Y145 HydrophobicContact CE-CE2 4.01Å; M141-Y145 HydrophobicContact CE-CG 4.35Å; M141-Y145 WeakPolarHBondContact O-CA 3.46Å; M141-Y145 WeakPolarHBondContact O-CB 3.44Å; M141-Y145 PolarHBondContact O-N 3.42Å; M141-Y145 HydrophobicContact SD-CD2 3.82Å; M141-Y145 HydrophobicContact SD-CE2 3.98Å; Y145-G148 PolarHBondContact O-N 3.35Å; Y145-F212 HydrophobicContact CD1-CB 4.19Å; Y145-F212 AromaticContact CD1-CD2 3.88Å; Y145-F212 HydrophobicContact CD1-CD2 3.88Å; Y145-F212 HydrophobicContact CD2-CD2 4.4Å; Y145-F212 AromaticContact CG-CD2 3.73Å; Y145-F212 HydrophobicContact CG-CD2 3.73Å; Y145-F212 HydrophobicContact CG-CE2 4.42Å; Y145-D215 HydrophobicContact CE1-CB 3.84Å; Y145-D215 WeakPolarHBondContact OH-CB 3.43Å; Y145-D215 PolarHBondContact OH-OD2 3.46Å; Y145-I216 HydrophobicContact CD2-CD1 4.47Å; Y145-I216 HydrophobicContact CD2-CG1 4.37Å; Y145-I216 HydrophobicContact CE1-CG1 4.45Å; Y145-I216 HydrophobicContact CE2-CD1 3.82Å; Y145-I216 HydrophobicContact CE2-CG1 4.02Å
146	G	85.9	Confident	86.3	Confident	34 Å²	34	69.3 Å²	69.3	35%	0.351	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-141.8	-174.8	0	0	0	0	0	111.7	I142 G148	I142-G146 WeakPolarHBondContact CA-O 3.45Å; I142-G146 WeakPolarHBondContact O-CA 3.15Å; I142-G146 PolarHBondContact O-N 2.96Å; G146-G148 PolarHBondContact O-N 3.22Å; G146-G148 VanDerWaalsContact O-N 3.17Å
147	L	87.2	Confident	87.1	Confident	124 Å²	124	72.5 Å²	72.5	65%	0.649	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	15.7	177.5	-59	178.9	0	0	0	113.5	F149 V150 R151	L147-F149 VanDerWaalsContact C-N 3.34Å; L147-F149 PolarHBondContact O-N 3.22Å; L147-V150 PolarHBondContact O-N 2.82Å; L147-R151 WeakPolarHBondContact O-CB 3.29Å; L147-R151 PolarHBondContact O-N 3.29Å
148	G	87.8	Confident	87.7	Confident	12 Å²	12	74.5 Å²	74.5	12%	0.124	35%	0.35	C	S	.	.	H	α-helix	trans	-55.5	-44	-177.2	0	0	0	0	0	113.3	Y145 G146 R151 M152 F208	Y145-G148 PolarHBondContact O-N 3.35Å; G146-G148 PolarHBondContact O-N 3.22Å; G146-G148 VanDerWaalsContact O-N 3.17Å; G148-R151 PolarHBondContact O-N 3.34Å; G148-M152 WeakPolarHBondContact O-CB 3.35Å; G148-M152 PolarHBondContact O-N 2.92Å; G148-F208 WeakPolarHBondContact O-CE1 3.17Å
149	F	86.4	Confident	88.7	Confident	82 Å²	82	71.3 Å²	71.3	36%	0.36	34%	0.337	S	S	.	.	H	α-helix	trans	-65.4	-43.5	178.6	-172.2	-94	0	0	0	112.8	M141 L147 R151 M152 Q153	M141-F149 HydrophobicContact CE-CB 4.04Å; M141-F149 HydrophobicContact CE-CD2 4.12Å; M141-F149 HydrophobicContact CE-CG 4.41Å; L147-F149 VanDerWaalsContact C-N 3.34Å; L147-F149 PolarHBondContact O-N 3.22Å; F149-R151 VanDerWaalsContact C-N 3.32Å; F149-R151 PolarHBondContact O-N 2.96Å; F149-M152 HydrophobicContact CD2-CE 3.82Å; F149-M152 HydrophobicContact CE2-CE 3.64Å; F149-M152 HydrophobicContact CZ-CE 4.31Å; F149-M152 WeakPolarHBondContact O-CB 3.43Å; F149-M152 PolarHBondContact O-N 2.87Å; F149-Q153 HydrophobicContact CD1-CG 4.35Å; F149-Q153 HydrophobicContact CE1-CG 4Å; F149-Q153 HydrophobicContact CZ-CG 4.4Å; F149-Q153 WeakPolarHBondContact O-CG 3.35Å; F149-Q153 PolarHBondContact O-N 2.98Å
150	V	88.9	Confident	89.4	Confident	61 Å²	61	67.7 Å²	67.7	37%	0.37	32%	0.318	S	S	.	.	H	α-helix	trans	-62.9	-42.7	176	178.1	0	0	0	0	110.4	L147 M152 Q153 M154	L147-V150 PolarHBondContact O-N 2.82Å; V150-M152 VanDerWaalsContact C-N 3.32Å; V150-M152 PolarHBondContact O-N 2.85Å; V150-Q153 PolarHBondContact O-N 3.2Å; V150-M154 HydrophobicContact CG1-SD 4.3Å; V150-M154 WeakPolarHBondContact O-CG 3.06Å; V150-M154 PolarHBondContact O-N 3.41Å
151	R	93	Very high	89.9	Confident	113 Å²	113	66.3 Å²	66.3	43%	0.426	32%	0.32	S	S	.	.	H	α-helix	trans	-62.6	-39.4	176.5	-166.3	-176.9	-169.9	158.3	5.6	111.9	L147 G148 F149 M154 W155 D206 G207 F208	L147-R151 WeakPolarHBondContact O-CB 3.29Å; L147-R151 PolarHBondContact O-N 3.29Å; G148-R151 PolarHBondContact O-N 3.34Å; F149-R151 VanDerWaalsContact C-N 3.32Å; F149-R151 PolarHBondContact O-N 2.96Å; R151-M154 PolarHBondContact O-N 3.11Å; R151-W155 VanDerWaalsContact O-CB 3.27Å; R151-W155 WeakPolarHBondContact O-CB 3.25Å; R151-W155 PolarHBondContact O-N 2.78Å; R151-D206 PolarHBondContact NE-O 2.95Å; R151-D206 PolarHBondContact NH1-O 3.4Å; R151-D206 VanDerWaalsContact NH2-C 3.28Å; R151-D206 PolarHBondContact NH2-O 2.88Å; R151-G207 VanDerWaalsContact NH1-C 3.34Å; R151-G207 PolarHBondContact NH1-O 3.35Å; R151-F208 HydrophobicContact CB-CE1 3.91Å; R151-F208 HydrophobicContact CB-CZ 3.93Å; R151-F208 HydrophobicContact CG-CE1 4.04Å; R151-F208 HydrophobicContact CG-CE2 4.1Å; R151-F208 HydrophobicContact CG-CZ 3.62Å
152	M	94.1	Very high	90.7	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-60.6	-47.8	175.8	-177.4	-168.6	77.6	0	0	110.8	G148 F149 V150 W155 V156 F208 F212 I217 L240	G148-M152 WeakPolarHBondContact O-CB 3.35Å; G148-M152 PolarHBondContact O-N 2.92Å; F149-M152 HydrophobicContact CD2-CE 3.82Å; F149-M152 HydrophobicContact CE2-CE 3.64Å; F149-M152 HydrophobicContact CZ-CE 4.31Å; F149-M152 WeakPolarHBondContact O-CB 3.43Å; F149-M152 PolarHBondContact O-N 2.87Å; V150-M152 VanDerWaalsContact C-N 3.32Å; V150-M152 PolarHBondContact O-N 2.85Å; M152-W155 WeakPolarHBondContact O-CB 3.24Å; M152-W155 PolarHBondContact O-N 3.41Å; M152-V156 WeakPolarHBondContact O-CG2 3.42Å; M152-V156 PolarHBondContact O-N 2.76Å; M152-F208 HydrophobicContact CB-CE1 3.94Å; M152-F208 HydrophobicContact CB-CZ 4.29Å; M152-F212 HydrophobicContact CB-CE1 4.2Å; M152-F212 HydrophobicContact CB-CZ 4.19Å; M152-F212 HydrophobicContact SD-CE1 4.37Å; M152-F212 HydrophobicContact SD-CZ 4.15Å; M152-I217 HydrophobicContact CG-CD1 4.18Å; M152-I217 HydrophobicContact SD-CD1 3.54Å; M152-I217 VanDerWaalsContact SD-CD1 3.54Å; M152-L240 HydrophobicContact CG-CD1 4.27Å; M152-L240 HydrophobicContact SD-CD2 4.04Å
153	Q	91.3	Very high	91.3	Very high	43 Å²	43	65.9 Å²	65.9	20%	0.201	32%	0.315	C	S	.	.	H	α-helix	trans	-59.4	-49.1	177.4	-72.4	-72.2	-53.7	0	0	111.4	F149 V150 W155 V156 E157 D244	F149-Q153 HydrophobicContact CD1-CG 4.35Å; F149-Q153 HydrophobicContact CE1-CG 4Å; F149-Q153 HydrophobicContact CZ-CG 4.4Å; F149-Q153 WeakPolarHBondContact O-CG 3.35Å; F149-Q153 PolarHBondContact O-N 2.98Å; V150-Q153 PolarHBondContact O-N 3.2Å; Q153-W155 VanDerWaalsContact C-N 3.28Å; Q153-W155 PolarHBondContact O-N 2.93Å; Q153-V156 PolarHBondContact O-N 2.89Å; Q153-E157 WeakPolarHBondContact O-CB 3.44Å; Q153-E157 WeakPolarHBondContact O-CG 3.27Å; Q153-E157 PolarHBondContact O-N 2.86Å; Q153-D244 PolarHBondContact NE2-OD1 3.37Å; Q153-D244 PolarHBondContact OE1-OD1 3.33Å
154	M	94.2	Very high	91.9	Very high	122 Å²	122	57.2 Å²	57.2	60%	0.601	29%	0.285	S	S	*	.	H	α-helix	trans	-59.8	-37.4	175	-67	176.4	68.3	0	0	113.1	V150 R151 S158	V150-M154 HydrophobicContact CG1-SD 4.3Å; V150-M154 WeakPolarHBondContact O-CG 3.06Å; V150-M154 PolarHBondContact O-N 3.41Å; R151-M154 PolarHBondContact O-N 3.11Å; M154-S158 WeakPolarHBondContact O-CB 3.36Å; M154-S158 PolarHBondContact O-N 3.39Å
155	W	95.9	Very high	92.6	Very high	21 Å²	21	53.5 Å²	53.5	8%	0.08	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-48.6	178.1	-175.3	85.6	0	0	0	111.2	R151 M152 Q153 S158 I159 L194 L199 D206 F208 A237 L240	R151-W155 VanDerWaalsContact O-CB 3.27Å; R151-W155 WeakPolarHBondContact O-CB 3.25Å; R151-W155 PolarHBondContact O-N 2.78Å; M152-W155 WeakPolarHBondContact O-CB 3.24Å; M152-W155 PolarHBondContact O-N 3.41Å; Q153-W155 VanDerWaalsContact C-N 3.28Å; Q153-W155 PolarHBondContact O-N 2.93Å; W155-S158 PolarHBondContact O-N 2.9Å; W155-S158 PolarHBondContact O-OG 3.02Å; W155-I159 HydrophobicContact CD2-CD1 3.96Å; W155-I159 HydrophobicContact CE3-CD1 3.92Å; W155-I159 HydrophobicContact CH2-CD1 3.62Å; W155-I159 HydrophobicContact CZ2-CD1 3.66Å; W155-I159 HydrophobicContact CZ3-CD1 3.75Å; W155-I159 PolarHBondContact O-N 3.34Å; W155-L194 HydrophobicContact CZ2-CD2 3.99Å; W155-L199 HydrophobicContact CH2-CD1 3.85Å; W155-L199 HydrophobicContact CZ3-CD1 4.38Å; W155-D206 PolarHBondContact NE1-OD2 2.79Å; W155-F208 HydrophobicContact CB-CZ 4.27Å; W155-F208 HydrophobicContact CG-CE2 4.47Å; W155-A237 HydrophobicContact CH2-CB 3.79Å; W155-A237 HydrophobicContact CZ3-CB 3.67Å; W155-L240 HydrophobicContact CE3-CD1 4.26Å; W155-L240 HydrophobicContact CZ3-CD1 3.89Å
156	V	95.2	Very high	93.2	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-48.1	175.8	173.7	0	0	0	0	111	M152 Q153 S158 I159 L160 L240 A241	M152-V156 WeakPolarHBondContact O-CG2 3.42Å; M152-V156 PolarHBondContact O-N 2.76Å; Q153-V156 PolarHBondContact O-N 2.89Å; V156-S158 VanDerWaalsContact C-N 3.29Å; V156-S158 PolarHBondContact O-N 3.42Å; V156-I159 WeakPolarHBondContact O-CB 3.13Å; V156-I159 PolarHBondContact O-N 3.17Å; V156-L160 HydrophobicContact CG1-CD1 3.73Å; V156-L160 HydrophobicContact CG1-CG 4.15Å; V156-L160 WeakPolarHBondContact O-CG 3.2Å; V156-L160 PolarHBondContact O-N 3.05Å; V156-L240 HydrophobicContact CG2-CB 3.61Å; V156-L240 HydrophobicContact CG2-CD1 4.4Å; V156-A241 HydrophobicContact CG1-CB 3.96Å
157	E	94.4	Very high	93.8	Very high	117 Å²	117	51.9 Å²	51.9	55%	0.547	25%	0.254	S	S	.	.	H	α-helix	trans	-55.8	-42.2	177.3	-77.2	178.8	172.8	0	0	112.2	Q153 I159 L160 D161	Q153-E157 WeakPolarHBondContact O-CB 3.44Å; Q153-E157 WeakPolarHBondContact O-CG 3.27Å; Q153-E157 PolarHBondContact O-N 2.86Å; E157-I159 PolarHBondContact O-N 2.82Å; E157-L160 PolarHBondContact O-N 3.27Å; E157-D161 PolarHBondContact O-N 3.16Å
158	S	95.5	Very high	94.2	Very high	56 Å²	56	48.5 Å²	48.5	39%	0.392	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-29.9	178.7	81.2	0	0	0	0	113.4	M154 W155 V156	M154-S158 WeakPolarHBondContact O-CB 3.36Å; M154-S158 PolarHBondContact O-N 3.39Å; W155-S158 PolarHBondContact O-N 2.9Å; W155-S158 PolarHBondContact O-OG 3.02Å; V156-S158 VanDerWaalsContact C-N 3.29Å; V156-S158 PolarHBondContact O-N 3.42Å
159	I	96.1	Very high	94.6	Very high	15 Å²	15	48 Å²	48	8%	0.077	23%	0.23	C	C	.	.	H	α-helix	trans	-79.2	-43.7	175.5	-66.8	172.2	0	0	0	109.4	W155 V156 E157 D161 K162 F163 F191 L194 A237	W155-I159 HydrophobicContact CD2-CD1 3.96Å; W155-I159 HydrophobicContact CE3-CD1 3.92Å; W155-I159 HydrophobicContact CH2-CD1 3.62Å; W155-I159 HydrophobicContact CZ2-CD1 3.66Å; W155-I159 HydrophobicContact CZ3-CD1 3.75Å; W155-I159 PolarHBondContact O-N 3.34Å; V156-I159 WeakPolarHBondContact O-CB 3.13Å; V156-I159 PolarHBondContact O-N 3.17Å; E157-I159 PolarHBondContact O-N 2.82Å; I159-D161 PolarHBondContact O-N 2.83Å; I159-K162 PolarHBondContact O-N 2.84Å; I159-F163 WeakPolarHBondContact O-CB 3.34Å; I159-F163 PolarHBondContact O-N 3.04Å; I159-F191 HydrophobicContact CB-CE1 4.47Å; I159-F191 HydrophobicContact CG2-CE1 3.82Å; I159-F191 HydrophobicContact CG2-CZ 3.93Å; I159-L194 HydrophobicContact CD1-CD1 3.87Å; I159-L194 HydrophobicContact CG1-CD1 4.38Å; I159-A237 HydrophobicContact CD1-CB 3.5Å; I159-A237 VanDerWaalsContact CD1-CB 3.5Å; I159-A237 HydrophobicContact CG2-CB 4Å
160	L	94.9	Very high	95.1	Very high	23 Å²	23	44.2 Å²	44.2	12%	0.12	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-42.8	176.8	-72.2	172.8	0	0	0	111.7	L95 V156 E157 K162 F163 M164 A241	L95-L160 HydrophobicContact CD1-CB 4.2Å; L95-L160 HydrophobicContact CD1-CD1 4.09Å; L95-L160 HydrophobicContact CD1-CD2 4.5Å; V156-L160 HydrophobicContact CG1-CD1 3.73Å; V156-L160 HydrophobicContact CG1-CG 4.15Å; V156-L160 WeakPolarHBondContact O-CG 3.2Å; V156-L160 PolarHBondContact O-N 3.05Å; E157-L160 PolarHBondContact O-N 3.27Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 3.16Å; L160-F163 WeakPolarHBondContact O-CA 3.37Å; L160-F163 VanDerWaalsContact O-CB 3.32Å; L160-F163 WeakPolarHBondContact O-CB 3.23Å; L160-F163 PolarHBondContact O-N 2.99Å; L160-M164 VanDerWaalsContact O-CG 3.28Å; L160-M164 WeakPolarHBondContact O-CG 3.5Å; L160-M164 PolarHBondContact O-N 2.95Å; L160-A241 HydrophobicContact CD1-CB 4.44Å; L160-A241 HydrophobicContact CD2-CB 4.37Å
161	D	95.1	Very high	95.5	Very high	100 Å²	100	48.8 Å²	48.8	54%	0.535	23%	0.23	S	C	.	.	H	α-helix	trans	-54.3	-42.8	175.8	177.9	71.5	0	0	0	112.3	E157 I159	E157-D161 PolarHBondContact O-N 3.16Å; I159-D161 PolarHBondContact O-N 2.83Å
162	K	96.2	Very high	95.6	Very high	59 Å²	59	48.2 Å²	48.2	26%	0.257	23%	0.229	S	C	.	.	H	α-helix	trans	-70.9	-40.9	175.1	-68.2	170.2	-179.1	174.3	0	112	I159 L160 M164 R165 S190 F191	I159-K162 PolarHBondContact O-N 2.84Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 3.16Å; K162-M164 VanDerWaalsContact C-N 3.3Å; K162-M164 PolarHBondContact O-N 3.22Å; K162-R165 WeakPolarHBondContact O-CB 3.39Å; K162-R165 VanDerWaalsContact O-CG 3.31Å; K162-R165 WeakPolarHBondContact O-CG 3.43Å; K162-R165 PolarHBondContact O-N 3.13Å; K162-S190 PolarHBondContact NZ-OG 2.92Å; K162-F191 HydrophobicContact CB-CE1 3.99Å; K162-F191 HydrophobicContact CB-CE2 4.43Å; K162-F191 HydrophobicContact CB-CZ 3.62Å; K162-F191 HydrophobicContact CD-CE1 3.97Å; K162-F191 HydrophobicContact CD-CZ 4.46Å
163	F	96.6	Very high	95.7	Very high	18 Å²	18	48.8 Å²	48.8	8%	0.079	24%	0.236	C	C	.	.	H	α-helix	trans	-57.4	-42.8	177.7	-178.5	-92.6	0	0	0	111.7	I159 L160 R165 I166 Y167 M186 M473 I476	I159-F163 WeakPolarHBondContact O-CB 3.34Å; I159-F163 PolarHBondContact O-N 3.04Å; L160-F163 WeakPolarHBondContact O-CA 3.37Å; L160-F163 VanDerWaalsContact O-CB 3.32Å; L160-F163 WeakPolarHBondContact O-CB 3.23Å; L160-F163 PolarHBondContact O-N 2.99Å; F163-R165 PolarHBondContact O-N 3.21Å; F163-I166 WeakPolarHBondContact O-CG2 3.33Å; F163-I166 PolarHBondContact O-N 3Å; F163-Y167 HydrophobicContact CD1-CE2 4.49Å; F163-Y167 HydrophobicContact CE1-CE2 4.28Å; F163-M186 HydrophobicContact CD2-CE 4.4Å; F163-M186 HydrophobicContact CD2-SD 4.01Å; F163-M186 HydrophobicContact CE2-SD 4.38Å; F163-M473 HydrophobicContact CE2-SD 3.55Å; F163-M473 VanDerWaalsContact CE2-SD 3.55Å; F163-M473 HydrophobicContact CZ-SD 3.99Å; F163-I476 HydrophobicContact CE1-CD1 3.95Å; F163-I476 HydrophobicContact CE2-CD1 4.08Å; F163-I476 HydrophobicContact CZ-CD1 3.34Å
164	M	96.1	Very high	96	Very high	49 Å²	49	48.1 Å²	48.1	24%	0.241	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.9	-178.1	-68.1	-51.5	-70.3	0	0	114.4	L95 L97 L160 K162 I166 Y167	L95-M164 HydrophobicContact CB-CE 4.43Å; L95-M164 HydrophobicContact CB-SD 3.78Å; L95-M164 HydrophobicContact CD1-SD 4.2Å; L95-M164 HydrophobicContact CD2-CE 4.39Å; L95-M164 HydrophobicContact CD2-SD 4.43Å; L95-M164 HydrophobicContact CG-SD 4.37Å; L97-M164 HydrophobicContact CD1-CE 3.49Å; L97-M164 VanDerWaalsContact CD1-CE 3.49Å; L97-M164 HydrophobicContact CD2-CE 4.22Å; L97-M164 HydrophobicContact CG-CE 3.76Å; L160-M164 VanDerWaalsContact O-CG 3.28Å; L160-M164 WeakPolarHBondContact O-CG 3.5Å; L160-M164 PolarHBondContact O-N 2.95Å; K162-M164 VanDerWaalsContact C-N 3.3Å; K162-M164 PolarHBondContact O-N 3.22Å; M164-I166 PolarHBondContact O-N 2.81Å; M164-Y167 HydrophobicContact CE-CD2 3.68Å; M164-Y167 HydrophobicContact CE-CE2 3.63Å; M164-Y167 WeakPolarHBondContact O-CD2 3.36Å; M164-Y167 PolarHBondContact O-N 3.19Å; M164-Y167 HydrophobicContact SD-CD2 4.03Å; M164-Y167 HydrophobicContact SD-CE2 3.57Å; M164-Y167 VanDerWaalsContact SD-CE2 3.57Å
165	R	96.3	Very high	96.2	Very high	50 Å²	50	42.3 Å²	42.3	19%	0.189	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-28.5	179	-60.7	174.5	-168.2	177.9	-6	112.8	K162 F163 Y167 Q168 Y169 M186 H502	K162-R165 WeakPolarHBondContact O-CB 3.39Å; K162-R165 VanDerWaalsContact O-CG 3.31Å; K162-R165 WeakPolarHBondContact O-CG 3.43Å; K162-R165 PolarHBondContact O-N 3.13Å; F163-R165 PolarHBondContact O-N 3.21Å; R165-Y167 VanDerWaalsContact C-N 3.26Å; R165-Y167 PolarHBondContact O-N 2.9Å; R165-Q168 PolarHBondContact O-N 3.03Å; R165-Y169 HydrophobicContact CB-CE1 4.24Å; R165-Y169 HydrophobicContact CB-CE2 3.86Å; R165-Y169 WeakPolarHBondContact O-CD1 3.32Å; R165-Y169 WeakPolarHBondContact O-CD2 3.45Å; R165-Y169 VanDerWaalsContact O-CG 3.25Å; R165-Y169 PolarHBondContact O-N 3.25Å; R165-Y169 VanDerWaalsContact O-N 3.08Å; R165-M186 WeakPolarHBondContact CD-O 3.29Å; R165-M186 PolarHBondContact NH1-O 2.9Å; R165-H502 WeakPolarHBondContact CD-ND1 3.04Å; R165-H502 PolarHBondContact NE-CE1 2.88Å
166	I	97.2	Very high	96.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-35.3	-178.7	-165.8	54.3	0	0	0	113.1	F163 M164 Y169 Q170 F176 L182 M186 I476	F163-I166 WeakPolarHBondContact O-CG2 3.33Å; F163-I166 PolarHBondContact O-N 3Å; M164-I166 PolarHBondContact O-N 2.81Å; I166-Y169 HydrophobicContact CD1-CD2 4.4Å; I166-Y169 PolarHBondContact O-N 3.29Å; I166-Q170 HydrophobicContact CD1-CG 4.28Å; I166-Q170 HydrophobicContact CG1-CG 4.33Å; I166-Q170 WeakPolarHBondContact O-CB 3.48Å; I166-Q170 WeakPolarHBondContact O-CG 3.47Å; I166-Q170 PolarHBondContact O-N 3.4Å; I166-F176 HydrophobicContact CD1-CD2 4.29Å; I166-F176 HydrophobicContact CD1-CE2 3.71Å; I166-L182 HydrophobicContact CD1-CD1 4.27Å; I166-L182 HydrophobicContact CD1-CG 4.17Å; I166-M186 HydrophobicContact CB-CG 3.87Å; I166-M186 HydrophobicContact CB-SD 3.63Å; I166-M186 HydrophobicContact CD1-CG 4.36Å; I166-M186 HydrophobicContact CG1-CG 4.45Å; I166-M186 HydrophobicContact CG1-SD 4.12Å; I166-M186 HydrophobicContact CG2-SD 4.03Å; I166-I476 HydrophobicContact CD1-CG2 4.47Å; I166-I476 HydrophobicContact CG1-CG2 3.68Å; I166-I476 HydrophobicContact CG2-CD1 3.91Å; I166-I476 HydrophobicContact CG2-CG1 4.36Å
167	Y	97.4	Very high	96.3	Very high	22 Å²	22	42.3 Å²	42.3	9%	0.086	21%	0.206	C	C	.	.	H	α-helix	trans	-65.3	-43.6	179.9	-59.9	-69.9	0	0	0	111.1	L95 L97 H98 F163 M164 R165 Y169 Q170 Q171 E472	L95-Y167 PolarHBondContact O-OH 3.41Å; L97-Y167 HydrophobicContact CB-CD1 3.97Å; L97-Y167 HydrophobicContact CB-CE1 3.69Å; L97-Y167 HydrophobicContact CB-CE2 4.28Å; L97-Y167 HydrophobicContact CB-CG 4.37Å; L97-Y167 HydrophobicContact CD1-CD1 4.34Å; L97-Y167 HydrophobicContact CD1-CD2 3.77Å; L97-Y167 HydrophobicContact CD1-CE2 4.07Å; L97-Y167 HydrophobicContact CD1-CG 3.91Å; L97-Y167 HydrophobicContact CG-CD1 4.45Å; L97-Y167 HydrophobicContact CG-CD2 4.13Å; L97-Y167 HydrophobicContact CG-CE1 4.24Å; L97-Y167 HydrophobicContact CG-CE2 3.9Å; L97-Y167 HydrophobicContact CG-CG 4.39Å; L97-Y167 PolarHBondContact N-OH 3.5Å; L97-Y167 VanDerWaalsContact N-OH 3.17Å; H98-Y167 AromaticContact CD2-CD1 3.93Å; H98-Y167 AromaticContact CD2-CE1 3.53Å; H98-Y167 AromaticContact NE2-CD1 3.65Å; H98-Y167 AromaticContact NE2-CE1 3.75Å; F163-Y167 HydrophobicContact CD1-CE2 4.49Å; F163-Y167 HydrophobicContact CE1-CE2 4.28Å; M164-Y167 HydrophobicContact CE-CD2 3.68Å; M164-Y167 HydrophobicContact CE-CE2 3.63Å; M164-Y167 WeakPolarHBondContact O-CD2 3.36Å; M164-Y167 PolarHBondContact O-N 3.19Å; M164-Y167 HydrophobicContact SD-CD2 4.03Å; M164-Y167 HydrophobicContact SD-CE2 3.57Å; M164-Y167 VanDerWaalsContact SD-CE2 3.57Å; R165-Y167 VanDerWaalsContact C-N 3.26Å; R165-Y167 PolarHBondContact O-N 2.9Å; Y167-Y169 VanDerWaalsContact C-N 3.35Å; Y167-Q170 PolarHBondContact O-N 3.24Å; Y167-Q171 WeakPolarHBondContact O-CB 3.46Å; Y167-Q171 PolarHBondContact O-N 3.49Å; Y167-E472 VanDerWaalsContact CE1-OE1 3.23Å; Y167-E472 WeakPolarHBondContact CE1-OE1 3.43Å; Y167-E472 WeakPolarHBondContact OH-CG 3.38Å; Y167-E472 PolarHBondContact OH-OE1 3.38Å
168	Q	95.7	Very high	96.4	Very high	54 Å²	54	38.3 Å²	38.3	25%	0.252	19%	0.189	S	C	.	.	H	α-helix	trans	-62.2	-45	175.4	-169.6	-177.9	22.8	0	0	110.5	R165 Q170 Q171 Y172 L505	R165-Q168 PolarHBondContact O-N 3.03Å; Q168-Q170 PolarHBondContact O-N 2.92Å; Q168-Q171 WeakPolarHBondContact O-CB 3.34Å; Q168-Q171 PolarHBondContact O-N 3.37Å; Q168-Y172 HydrophobicContact CG-CD2 3.85Å; Q168-Y172 HydrophobicContact CG-CE2 3.66Å; Q168-Y172 WeakPolarHBondContact O-CD2 3.29Å; Q168-Y172 PolarHBondContact O-N 3.01Å; Q168-L505 HydrophobicContact CG-CD1 4.27Å
169	Y	97	Very high	96.4	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-45.9	178.7	-58.2	-19.1	0	0	0	112	R165 I166 Y167 Q171 Y172 G173 Y174 F176 A185 L501 H502 L505	R165-Y169 HydrophobicContact CB-CE1 4.24Å; R165-Y169 HydrophobicContact CB-CE2 3.86Å; R165-Y169 WeakPolarHBondContact O-CD1 3.32Å; R165-Y169 WeakPolarHBondContact O-CD2 3.45Å; R165-Y169 VanDerWaalsContact O-CG 3.25Å; R165-Y169 PolarHBondContact O-N 3.25Å; R165-Y169 VanDerWaalsContact O-N 3.08Å; I166-Y169 HydrophobicContact CD1-CD2 4.4Å; I166-Y169 PolarHBondContact O-N 3.29Å; Y167-Y169 VanDerWaalsContact C-N 3.35Å; Y169-Q171 VanDerWaalsContact C-N 3.32Å; Y169-Q171 PolarHBondContact O-N 3.09Å; Y169-Y172 PolarHBondContact O-N 3.34Å; Y169-G173 PolarHBondContact O-N 3.36Å; Y169-Y174 WeakPolarHBondContact O-CB 3.28Å; Y169-Y174 PolarHBondContact O-N 2.94Å; Y169-F176 HydrophobicContact CD2-CE2 4.42Å; Y169-F176 HydrophobicContact CD2-CZ 4Å; Y169-A185 HydrophobicContact CD2-CB 4.46Å; Y169-A185 HydrophobicContact CE2-CB 4.1Å; Y169-A185 VanDerWaalsContact CE2-O 3.24Å; Y169-A185 WeakPolarHBondContact CE2-O 3.47Å; Y169-A185 PolarHBondContact OH-O 3.48Å; Y169-L501 HydrophobicContact CD1-CB 4.01Å; Y169-L501 HydrophobicContact CD1-CD1 4.24Å; Y169-L501 HydrophobicContact CD2-CD1 4.29Å; Y169-L501 HydrophobicContact CE1-CB 3.61Å; Y169-L501 HydrophobicContact CG-CD1 4.11Å; Y169-H502 WeakPolarHBondContact OH-CB 2.93Å; Y169-H502 PolarHBondContact OH-N 3.12Å; Y169-L505 HydrophobicContact CD1-CD1 3.64Å; Y169-L505 HydrophobicContact CE1-CD1 3.9Å
170	Q	97	Very high	96.3	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.009	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-31	178.7	-70.9	-176.8	-27	0	0	112.7	H98 I166 Y167 Q168 G173 I476 R479 L483	H98-Q170 PolarHBondContact NE2-OE1 3.33Å; I166-Q170 HydrophobicContact CD1-CG 4.28Å; I166-Q170 HydrophobicContact CG1-CG 4.33Å; I166-Q170 WeakPolarHBondContact O-CB 3.48Å; I166-Q170 WeakPolarHBondContact O-CG 3.47Å; I166-Q170 PolarHBondContact O-N 3.4Å; Y167-Q170 PolarHBondContact O-N 3.24Å; Q168-Q170 PolarHBondContact O-N 2.92Å; Q170-G173 PolarHBondContact O-N 3.11Å; Q170-I476 PolarHBondContact NE2-O 3.13Å; Q170-R479 HydrophobicContact CB-CG 3.94Å; Q170-R479 HydrophobicContact CG-CG 4.02Å; Q170-L483 HydrophobicContact CB-CD1 4.25Å; Q170-L483 HydrophobicContact CG-CD1 4.29Å
171	Q	95.6	Very high	96.3	Very high	156 Å²	156	41.7 Å²	41.7	73%	0.729	20%	0.197	S	C	*	.	H	α-helix	trans	-66	-38.9	173.4	-174.9	-179.4	9.1	0	0	112	Y167 Q168 Y169 G173	Y167-Q171 WeakPolarHBondContact O-CB 3.46Å; Y167-Q171 PolarHBondContact O-N 3.49Å; Q168-Q171 WeakPolarHBondContact O-CB 3.34Å; Q168-Q171 PolarHBondContact O-N 3.37Å; Y169-Q171 VanDerWaalsContact C-N 3.32Å; Y169-Q171 PolarHBondContact O-N 3.09Å; Q171-G173 PolarHBondContact O-N 3.37Å
172	Y	95.5	Very high	96.4	Very high	101 Å²	101	37 Å²	37	40%	0.396	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	6.5	173.5	-73.1	-69.2	0	0	0	114.1	Q168 Y169 K495 L505	Q168-Y172 HydrophobicContact CG-CD2 3.85Å; Q168-Y172 HydrophobicContact CG-CE2 3.66Å; Q168-Y172 WeakPolarHBondContact O-CD2 3.29Å; Q168-Y172 PolarHBondContact O-N 3.01Å; Y169-Y172 PolarHBondContact O-N 3.34Å; Y172-K495 PolarHBondContact O-NZ 2.82Å; Y172-L505 HydrophobicContact CD2-CD1 3.98Å; Y172-L505 HydrophobicContact CD2-CD2 3.79Å; Y172-L505 HydrophobicContact CE2-CD1 4.46Å; Y172-L505 HydrophobicContact CE2-CD2 3.96Å; Y172-L505 HydrophobicContact CG-CD2 4.15Å
173	G	96.6	Very high	96.4	Very high	14 Å²	14	34.3 Å²	34.3	14%	0.144	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	32.5	178.4	0	0	0	0	0	113.3	Y169 Q170 Q171 H487 K495	Y169-G173 PolarHBondContact O-N 3.36Å; Q170-G173 PolarHBondContact O-N 3.11Å; Q171-G173 PolarHBondContact O-N 3.37Å; G173-H487 PolarHBondContact O-CE1 3.37Å; G173-H487 PolarHBondContact O-NE2 3.41Å; G173-H487 VanDerWaalsContact O-NE2 3.16Å; G173-K495 WeakPolarHBondContact O-CB 3.31Å
174	Y	97.9	Very high	96.4	Very high	29 Å²	29	36.8 Å²	36.8	11%	0.114	17%	0.172	C	C	.	.			trans	-86.8	146.6	170.2	-66.8	-72.5	0	0	0	111.5	Y169 L483 K495 Q498 L501 L505	Y169-Y174 WeakPolarHBondContact O-CB 3.28Å; Y169-Y174 PolarHBondContact O-N 2.94Å; Y174-L483 WeakPolarHBondContact O-CD1 3.44Å; Y174-K495 WeakPolarHBondContact CA-O 3.31Å; Y174-K495 HydrophobicContact CD1-CD 4.01Å; Y174-K495 HydrophobicContact CE1-CD 3.8Å; Y174-Q498 HydrophobicContact CD1-CB 4.14Å; Y174-Q498 HydrophobicContact CD1-CG 3.92Å; Y174-Q498 HydrophobicContact CE1-CB 4.19Å; Y174-Q498 HydrophobicContact CE1-CG 3.85Å; Y174-L501 HydrophobicContact CD1-CD1 4.12Å; Y174-L501 HydrophobicContact CD1-CD2 3.75Å; Y174-L501 HydrophobicContact CD2-CD1 4.13Å; Y174-L501 HydrophobicContact CD2-CD2 3.92Å; Y174-L501 HydrophobicContact CE1-CD2 3.54Å; Y174-L501 HydrophobicContact CE2-CD2 3.7Å; Y174-L501 HydrophobicContact CG-CD1 3.79Å; Y174-L501 HydrophobicContact CG-CD2 3.94Å; Y174-L501 VanDerWaalsContact CZ-CD2 3.49Å; Y174-L505 HydrophobicContact CE2-CD1 4.35Å; Y174-L505 HydrophobicContact CE2-CD2 4.39Å
175	S	97.7	Very high	96.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-145	158.1	-176.1	62.4	0	0	0	0	112.2	N480 H487 K495 I496 D497	S175-N480 WeakPolarHBondContact CA-OD1 3.29Å; S175-H487 PolarHBondContact OG-ND1 3.31Å; S175-K495 PolarHBondContact N-O 3.2Å; S175-K495 PolarHBondContact OG-O 2.88Å; S175-I496 CarbonylContact O-C 3.23Å; S175-I496 WeakPolarHBondContact O-CA 3.12Å; S175-D497 PolarHBondContact O-N 3.2Å
176	F	97.4	Very high	96.3	Very high	2 Å²	2	33 Å²	33	1%	0.009	16%	0.158	C	C	.	.			trans	-132.9	129.8	-168.6	-54.3	-78.2	0	0	0	111.3	I166 Y169 K181 L182 A185 F452 N480 L484 D497 L501	I166-F176 HydrophobicContact CD1-CD2 4.29Å; I166-F176 HydrophobicContact CD1-CE2 3.71Å; Y169-F176 HydrophobicContact CD2-CE2 4.42Å; Y169-F176 HydrophobicContact CD2-CZ 4Å; F176-K181 HydrophobicContact CB-CB 4.32Å; F176-K181 HydrophobicContact CD1-CB 4.44Å; F176-L182 HydrophobicContact CB-CB 3.82Å; F176-L182 HydrophobicContact CD2-CB 4.02Å; F176-L182 HydrophobicContact CD2-CD1 4.06Å; F176-L182 HydrophobicContact CD2-CG 4.03Å; F176-L182 HydrophobicContact CG-CB 3.99Å; F176-A185 HydrophobicContact CD1-CB 4.02Å; F176-A185 HydrophobicContact CE1-CB 3.2Å; F176-A185 HydrophobicContact CE2-CB 4.3Å; F176-A185 HydrophobicContact CZ-CB 3.38Å; F176-F452 VanDerWaalsContact O-CD2 3.28Å; F176-F452 WeakPolarHBondContact O-CD2 3.44Å; F176-N480 PolarHBondContact N-OD1 2.88Å; F176-N480 PolarHBondContact O-ND2 2.8Å; F176-L484 VanDerWaalsContact O-CD1 3.28Å; F176-L484 WeakPolarHBondContact O-CD1 3.45Å; F176-D497 VanDerWaalsContact CA-OD1 3.26Å; F176-D497 WeakPolarHBondContact CA-OD1 3.45Å; F176-L501 HydrophobicContact CE1-CD1 4.2Å; F176-L501 HydrophobicContact CZ-CD1 3.95Å
177	S	96.4	Very high	96.2	Very high	20 Å²	20	33.3 Å²	33.3	14%	0.14	16%	0.162	C	C	.	.	S	Bend	trans	-77.6	-19.8	-173.6	63.3	0	0	0	0	114.7	F452 D497	S177-F452 WeakPolarHBondContact O-CB 3.43Å; S177-F452 PolarHBondContact O-N 3.42Å; S177-D497 WeakPolarHBondContact CB-OD2 3.39Å; S177-D497 PolarHBondContact N-OD1 2.89Å; S177-D497 VanDerWaalsContact OG-CG 3.28Å; S177-D497 PolarHBondContact OG-OD1 3.49Å; S177-D497 PolarHBondContact OG-OD2 3.04Å
178	T	95.9	Very high	96.1	Very high	32 Å²	32	33.2 Å²	33.2	20%	0.196	17%	0.168	C	C	.	.	S	Bend	trans	-136.2	161.9	176.3	84.5	0	0	0	0	111.5	E180 K181 L182 F452	T178-E180 VanDerWaalsContact C-N 3.31Å; T178-E180 WeakPolarHBondContact CB-OE2 3.47Å; T178-E180 PolarHBondContact O-N 2.89Å; T178-E180 PolarHBondContact OG1-N 3.04Å; T178-E180 PolarHBondContact OG1-OE2 3.35Å; T178-K181 PolarHBondContact O-N 3.22Å; T178-K181 PolarHBondContact OG1-N 2.73Å; T178-L182 PolarHBondContact O-N 2.87Å; T178-L182 VanDerWaalsContact O-N 3.15Å; T178-F452 VanDerWaalsContact C-CD2 3.47Å; T178-F452 VanDerWaalsContact C-CE2 3.47Å; T178-F452 WeakPolarHBondContact O-CE2 3.45Å
179	V	95.1	Very high	96.1	Very high	2 Å²	2	36 Å²	36	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-40.9	177.9	178.7	0	0	0	0	110.5	K181 L182 L183 T449 F452 A463 A467	V179-K181 PolarHBondContact O-N 2.86Å; V179-L182 WeakPolarHBondContact O-CB 3.32Å; V179-L182 PolarHBondContact O-N 3.22Å; V179-L183 HydrophobicContact CG1-CD1 4.26Å; V179-L183 HydrophobicContact CG1-CG 4.29Å; V179-L183 WeakPolarHBondContact O-CG 3.31Å; V179-L183 PolarHBondContact O-N 2.66Å; V179-T449 HydrophobicContact CB-CG2 4.46Å; V179-F452 HydrophobicContact CB-CE2 4.46Å; V179-F452 HydrophobicContact CB-CZ 4.33Å; V179-F452 HydrophobicContact CG2-CD1 4.44Å; V179-F452 HydrophobicContact CG2-CE1 3.79Å; V179-F452 HydrophobicContact CG2-CE2 4.01Å; V179-F452 HydrophobicContact CG2-CZ 3.57Å; V179-A463 HydrophobicContact CG2-CB 3.79Å; V179-A467 HydrophobicContact CG1-CB 3.51Å
180	E	94.8	Very high	96	Very high	71 Å²	71	38 Å²	38	33%	0.332	20%	0.199	S	C	.	.	H	α-helix	trans	-62.7	-42.9	179.3	-56	83.2	173.4	0	0	111.4	T178 L182 L183 H184 L192 T449	T178-E180 VanDerWaalsContact C-N 3.31Å; T178-E180 WeakPolarHBondContact CB-OE2 3.47Å; T178-E180 PolarHBondContact O-N 2.89Å; T178-E180 PolarHBondContact OG1-N 3.04Å; T178-E180 PolarHBondContact OG1-OE2 3.35Å; E180-L182 VanDerWaalsContact C-N 3.33Å; E180-L182 PolarHBondContact O-N 3.34Å; E180-L183 PolarHBondContact O-N 3Å; E180-H184 WeakPolarHBondContact O-CB 3.41Å; E180-H184 PolarHBondContact O-N 2.78Å; E180-L192 HydrophobicContact CB-CD2 4.08Å; E180-T449 VanDerWaalsContact OE1-CB 3.29Å; E180-T449 WeakPolarHBondContact OE1-CB 3.18Å; E180-T449 PolarHBondContact OE1-OG1 2.8Å
181	K	95.9	Very high	95.9	Very high	93 Å²	93	37.9 Å²	37.9	40%	0.404	20%	0.198	S	C	.	.	H	α-helix	trans	-64.2	-39.5	176.1	-69.1	-170.6	-177.8	-168.2	0	111.9	F176 T178 V179 A185 D497	F176-K181 HydrophobicContact CB-CB 4.32Å; F176-K181 HydrophobicContact CD1-CB 4.44Å; T178-K181 PolarHBondContact O-N 3.22Å; T178-K181 PolarHBondContact OG1-N 2.73Å; V179-K181 PolarHBondContact O-N 2.86Å; K181-A185 WeakPolarHBondContact O-CB 3.29Å; K181-A185 PolarHBondContact O-N 3.31Å; K181-D497 HydrophobicContact CD-CB 3.93Å; K181-D497 WeakPolarHBondContact CD-OD1 3.21Å; K181-D497 WeakPolarHBondContact CD-OD2 3.4Å; K181-D497 VanDerWaalsContact NZ-CG 3.28Å; K181-D497 IonicContact NZ-OD1 3.51Å; K181-D497 IonicContact NZ-OD2 3.16Å; K181-D497 PolarHBondContact NZ-OD2 3.45Å
182	L	96.7	Very high	95.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-48.1	174.6	-177.9	144.2	0	0	0	111.3	I166 F176 T178 V179 E180 A185 M186 F452 I476 N480	I166-L182 HydrophobicContact CD1-CD1 4.27Å; I166-L182 HydrophobicContact CD1-CG 4.17Å; F176-L182 HydrophobicContact CB-CB 3.82Å; F176-L182 HydrophobicContact CD2-CB 4.02Å; F176-L182 HydrophobicContact CD2-CD1 4.06Å; F176-L182 HydrophobicContact CD2-CG 4.03Å; F176-L182 HydrophobicContact CG-CB 3.99Å; T178-L182 PolarHBondContact O-N 2.87Å; T178-L182 VanDerWaalsContact O-N 3.15Å; V179-L182 WeakPolarHBondContact O-CB 3.32Å; V179-L182 PolarHBondContact O-N 3.22Å; E180-L182 VanDerWaalsContact C-N 3.33Å; E180-L182 PolarHBondContact O-N 3.34Å; L182-A185 PolarHBondContact O-N 2.91Å; L182-M186 HydrophobicContact CD2-CE 3.56Å; L182-M186 HydrophobicContact CD2-SD 4.34Å; L182-M186 WeakPolarHBondContact O-CG 3.35Å; L182-M186 PolarHBondContact O-N 3.16Å; L182-F452 HydrophobicContact CB-CE2 4.22Å; L182-F452 HydrophobicContact CD1-CE2 4.08Å; L182-F452 HydrophobicContact CD1-CZ 4.28Å; L182-I476 HydrophobicContact CD1-CG2 4.16Å; L182-N480 HydrophobicContact CD1-CB 4.18Å
183	L	95.8	Very high	95.9	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-43.2	177.5	-68.8	-175.9	0	0	0	112.1	V179 E180 M186 G187 F191 L192 M195 F234 A467	V179-L183 HydrophobicContact CG1-CD1 4.26Å; V179-L183 HydrophobicContact CG1-CG 4.29Å; V179-L183 WeakPolarHBondContact O-CG 3.31Å; V179-L183 PolarHBondContact O-N 2.66Å; E180-L183 PolarHBondContact O-N 3Å; L183-M186 HydrophobicContact CD2-CE 3.46Å; L183-M186 VanDerWaalsContact CD2-CE 3.46Å; L183-M186 PolarHBondContact O-N 2.94Å; L183-G187 PolarHBondContact O-N 3.19Å; L183-F191 HydrophobicContact CB-CB 4.24Å; L183-F191 HydrophobicContact CD2-CD2 4.44Å; L183-F191 WeakPolarHBondContact O-CD2 3.43Å; L183-L192 HydrophobicContact CB-CD2 4.21Å; L183-M195 HydrophobicContact CD1-CG 3.59Å; L183-M195 HydrophobicContact CD1-SD 4.02Å; L183-F234 HydrophobicContact CD2-CE1 3.91Å; L183-F234 HydrophobicContact CD2-CE2 4.11Å; L183-F234 HydrophobicContact CD2-CZ 3.67Å; L183-A467 HydrophobicContact CD1-CB 3.87Å; L183-A467 HydrophobicContact CD2-CB 4.33Å; L183-A467 HydrophobicContact CG-CB 4.43Å
184	H	95.8	Very high	95.8	Very high	70 Å²	70	31.2 Å²	31.2	32%	0.324	17%	0.174	S	C	.	.	H	α-helix	trans	-63.7	-40.7	177.5	-176.8	-91.2	0	0	0	111.6	E180 M186 G188 D189 L192	E180-H184 WeakPolarHBondContact O-CB 3.41Å; E180-H184 PolarHBondContact O-N 2.78Å; H184-M186 VanDerWaalsContact C-N 3.28Å; H184-M186 PolarHBondContact O-N 3.27Å; H184-G188 VanDerWaalsContact CD2-C 3.48Å; H184-G188 WeakPolarHBondContact O-CA 3.47Å; H184-G188 PolarHBondContact O-N 3.05Å; H184-D189 IonicContact CD2-OD1 3.57Å; H184-D189 IonicContact NE2-OD1 2.89Å; H184-L192 HydrophobicContact CB-CD1 4.18Å; H184-L192 HydrophobicContact CB-CG 4.41Å
185	A	95.9	Very high	95.6	Very high	18 Å²	18	30.4 Å²	30.4	15%	0.149	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-35.7	176.4	0	0	0	0	0	112.6	Y169 F176 K181 L182	Y169-A185 HydrophobicContact CD2-CB 4.46Å; Y169-A185 HydrophobicContact CE2-CB 4.1Å; Y169-A185 VanDerWaalsContact CE2-O 3.24Å; Y169-A185 WeakPolarHBondContact CE2-O 3.47Å; Y169-A185 PolarHBondContact OH-O 3.48Å; F176-A185 HydrophobicContact CD1-CB 4.02Å; F176-A185 HydrophobicContact CE1-CB 3.2Å; F176-A185 HydrophobicContact CE2-CB 4.3Å; F176-A185 HydrophobicContact CZ-CB 3.38Å; K181-A185 WeakPolarHBondContact O-CB 3.29Å; K181-A185 PolarHBondContact O-N 3.31Å; L182-A185 PolarHBondContact O-N 2.91Å
186	M	95.3	Very high	95.4	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-71.3	-58.5	175.6	-67	-172.6	-63.3	0	0	111.8	F163 R165 I166 L182 L183 H184 F191	F163-M186 HydrophobicContact CD2-CE 4.4Å; F163-M186 HydrophobicContact CD2-SD 4.01Å; F163-M186 HydrophobicContact CE2-SD 4.38Å; R165-M186 WeakPolarHBondContact CD-O 3.29Å; R165-M186 PolarHBondContact NH1-O 2.9Å; I166-M186 HydrophobicContact CB-CG 3.87Å; I166-M186 HydrophobicContact CB-SD 3.63Å; I166-M186 HydrophobicContact CD1-CG 4.36Å; I166-M186 HydrophobicContact CG1-CG 4.45Å; I166-M186 HydrophobicContact CG1-SD 4.12Å; I166-M186 HydrophobicContact CG2-SD 4.03Å; L182-M186 HydrophobicContact CD2-CE 3.56Å; L182-M186 HydrophobicContact CD2-SD 4.34Å; L182-M186 WeakPolarHBondContact O-CG 3.35Å; L182-M186 PolarHBondContact O-N 3.16Å; L183-M186 HydrophobicContact CD2-CE 3.46Å; L183-M186 VanDerWaalsContact CD2-CE 3.46Å; L183-M186 PolarHBondContact O-N 2.94Å; H184-M186 VanDerWaalsContact C-N 3.28Å; H184-M186 PolarHBondContact O-N 3.27Å; M186-F191 HydrophobicContact CB-CD2 3.98Å; M186-F191 HydrophobicContact CB-CE2 3.65Å; M186-F191 HydrophobicContact CE-CD2 4.2Å; M186-F191 HydrophobicContact CE-CE2 4.11Å
187	G	95.4	Very high	95.3	Very high	7 Å²	7	37.2 Å²	37.2	7%	0.072	21%	0.205	C	C	.	.	H	α-helix	trans	-118.6	4.4	-166.5	0	0	0	0	0	116.2	L183 S190	L183-G187 PolarHBondContact O-N 3.19Å; G187-S190 PolarHBondContact O-OG 3.38Å
188	G	94.8	Very high	95.3	Very high	21 Å²	21	37.2 Å²	37.2	22%	0.216	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	-154.4	-171.7	0	0	0	0	0	112.4	H184 S190 F191	H184-G188 VanDerWaalsContact CD2-C 3.48Å; H184-G188 WeakPolarHBondContact O-CA 3.47Å; H184-G188 PolarHBondContact O-N 3.05Å; G188-S190 PolarHBondContact O-N 3.43Å; G188-S190 VanDerWaalsContact O-N 3.08Å; G188-F191 PolarHBondContact O-N 2.93Å
189	D	95	Very high	95.4	Very high	111 Å²	111	35.7 Å²	35.7	59%	0.594	20%	0.195	S	C	*	.	H	α-helix	trans	-56.7	-25.3	176.1	-68.2	-31.3	0	0	0	113.2	H184 F191 L192 T193	H184-D189 IonicContact CD2-OD1 3.57Å; H184-D189 IonicContact NE2-OD1 2.89Å; D189-F191 VanDerWaalsContact C-N 3.31Å; D189-F191 PolarHBondContact O-N 2.84Å; D189-L192 PolarHBondContact O-N 3.22Å; D189-L192 VanDerWaalsContact O-N 3.12Å; D189-T193 PolarHBondContact O-N 3.45Å; D189-T193 PolarHBondContact O-OG1 3.01Å; D189-T193 VanDerWaalsContact O-OG1 3.13Å
190	S	95.5	Very high	95.5	Very high	44 Å²	44	37.7 Å²	37.7	31%	0.308	20%	0.204	S	C	.	.	H	α-helix	trans	-61.2	-37.8	-179.6	72.5	0	0	0	0	113	K162 G187 G188 L194	K162-S190 PolarHBondContact NZ-OG 2.92Å; G187-S190 PolarHBondContact O-OG 3.38Å; G188-S190 PolarHBondContact O-N 3.43Å; G188-S190 VanDerWaalsContact O-N 3.08Å; S190-L194 WeakPolarHBondContact O-CG 3.4Å; S190-L194 PolarHBondContact O-N 3.46Å; S190-L194 VanDerWaalsContact O-N 3.09Å
191	F	96	Very high	95.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-72.9	-35.4	175.6	-78.1	11.3	0	0	0	111.7	I159 K162 L183 M186 G188 D189 T193 L194 M195 F234	I159-F191 HydrophobicContact CB-CE1 4.47Å; I159-F191 HydrophobicContact CG2-CE1 3.82Å; I159-F191 HydrophobicContact CG2-CZ 3.93Å; K162-F191 HydrophobicContact CB-CE1 3.99Å; K162-F191 HydrophobicContact CB-CE2 4.43Å; K162-F191 HydrophobicContact CB-CZ 3.62Å; K162-F191 HydrophobicContact CD-CE1 3.97Å; K162-F191 HydrophobicContact CD-CZ 4.46Å; L183-F191 HydrophobicContact CB-CB 4.24Å; L183-F191 HydrophobicContact CD2-CD2 4.44Å; L183-F191 WeakPolarHBondContact O-CD2 3.43Å; M186-F191 HydrophobicContact CB-CD2 3.98Å; M186-F191 HydrophobicContact CB-CE2 3.65Å; M186-F191 HydrophobicContact CE-CD2 4.2Å; M186-F191 HydrophobicContact CE-CE2 4.11Å; G188-F191 PolarHBondContact O-N 2.93Å; D189-F191 VanDerWaalsContact C-N 3.31Å; D189-F191 PolarHBondContact O-N 2.84Å; F191-T193 VanDerWaalsContact C-N 3.35Å; F191-L194 HydrophobicContact CD1-CD1 4.32Å; F191-L194 PolarHBondContact O-N 2.62Å; F191-M195 WeakPolarHBondContact O-CG 3.44Å; F191-M195 PolarHBondContact O-N 3.24Å; F191-F234 HydrophobicContact CB-CD2 4.44Å; F191-F234 HydrophobicContact CD1-CD2 4.39Å; F191-F234 HydrophobicContact CD1-CE2 4.32Å; F191-F234 HydrophobicContact CD2-CD2 4.23Å; F191-F234 AromaticContact CD2-CE2 3.58Å; F191-F234 HydrophobicContact CD2-CE2 3.58Å; F191-F234 HydrophobicContact CD2-CZ 4.43Å; F191-F234 HydrophobicContact CE1-CE2 4.4Å; F191-F234 AromaticContact CE2-CE2 3.67Å; F191-F234 HydrophobicContact CE2-CE2 3.67Å; F191-F234 HydrophobicContact CE2-CZ 4.43Å; F191-F234 HydrophobicContact CG-CD2 4.11Å; F191-F234 AromaticContact CG-CE2 3.92Å; F191-F234 HydrophobicContact CG-CE2 3.92Å; F191-F234 HydrophobicContact CZ-CE2 4.09Å
192	L	94.4	Very high	95.7	Very high	44 Å²	44	35.3 Å²	35.3	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-67.7	-35.4	175.8	-58.2	-174.5	0	0	0	112.1	E180 L183 H184 D189 M195 N196	E180-L192 HydrophobicContact CB-CD2 4.08Å; L183-L192 HydrophobicContact CB-CD2 4.21Å; H184-L192 HydrophobicContact CB-CD1 4.18Å; H184-L192 HydrophobicContact CB-CG 4.41Å; D189-L192 PolarHBondContact O-N 3.22Å; D189-L192 VanDerWaalsContact O-N 3.12Å; L192-M195 WeakPolarHBondContact O-CB 3.35Å; L192-M195 PolarHBondContact O-N 2.92Å; L192-N196 PolarHBondContact O-N 3.27Å; L192-N196 PolarHBondContact O-ND2 3.39Å
193	T	95.3	Very high	95.7	Very high	72 Å²	72	35.3 Å²	35.3	44%	0.442	20%	0.195	S	C	.	.	H	α-helix	trans	-65	-46.9	172.3	-63	0	0	0	0	110.8	D189 F191 M195 N196 Q197	D189-T193 PolarHBondContact O-N 3.45Å; D189-T193 PolarHBondContact O-OG1 3.01Å; D189-T193 VanDerWaalsContact O-OG1 3.13Å; F191-T193 VanDerWaalsContact C-N 3.35Å; T193-M195 PolarHBondContact O-N 2.9Å; T193-N196 PolarHBondContact O-N 2.71Å; T193-Q197 WeakPolarHBondContact O-CG 3.49Å; T193-Q197 PolarHBondContact O-N 2.88Å; T193-Q197 VanDerWaalsContact O-N 3.13Å
194	L	95.5	Very high	95.7	Very high	16 Å²	16	39.7 Å²	39.7	8%	0.084	22%	0.217	C	C	.	.	H	α-helix	trans	-58.3	-33.5	176	-75.3	173.3	0	0	0	112.7	W155 I159 S190 F191 N196 A202 G233 F234	W155-L194 HydrophobicContact CZ2-CD2 3.99Å; I159-L194 HydrophobicContact CD1-CD1 3.87Å; I159-L194 HydrophobicContact CG1-CD1 4.38Å; S190-L194 WeakPolarHBondContact O-CG 3.4Å; S190-L194 PolarHBondContact O-N 3.46Å; S190-L194 VanDerWaalsContact O-N 3.09Å; F191-L194 HydrophobicContact CD1-CD1 4.32Å; F191-L194 PolarHBondContact O-N 2.62Å; L194-N196 VanDerWaalsContact C-N 3.27Å; L194-N196 PolarHBondContact O-N 2.9Å; L194-A202 HydrophobicContact CD2-CB 3.96Å; L194-G233 WeakPolarHBondContact O-CA 3.46Å; L194-G233 PolarHBondContact O-N 3.02Å; L194-F234 HydrophobicContact CB-CB 4.04Å; L194-F234 PolarHBondContact O-N 3.3Å
195	M	93.6	Very high	95.7	Very high	11 Å²	11	39.6 Å²	39.6	5%	0.054	24%	0.235	C	C	.	.	H	α-helix	trans	-68.2	-23.1	173.9	-76.5	-61.9	-56.4	0	0	114	L183 F191 L192 T193 F234 W466 A467	L183-M195 HydrophobicContact CD1-CG 3.59Å; L183-M195 HydrophobicContact CD1-SD 4.02Å; F191-M195 WeakPolarHBondContact O-CG 3.44Å; F191-M195 PolarHBondContact O-N 3.24Å; L192-M195 WeakPolarHBondContact O-CB 3.35Å; L192-M195 PolarHBondContact O-N 2.92Å; T193-M195 PolarHBondContact O-N 2.9Å; M195-F234 HydrophobicContact CG-CB 4.19Å; M195-F234 HydrophobicContact SD-CB 3.71Å; M195-F234 HydrophobicContact SD-CD1 4.18Å; M195-F234 HydrophobicContact SD-CG 4.17Å; M195-W466 WeakPolarHBondContact CE-O 3.4Å; M195-A467 HydrophobicContact CE-CB 4.36Å; M195-A467 HydrophobicContact SD-CB 4.19Å
196	N	93.6	Very high	95.6	Very high	87 Å²	87	42.2 Å²	42.2	47%	0.465	25%	0.246	S	C	.	.	H	α-helix	trans	-108.1	-4.9	-171.7	-77.8	-56.4	0	0	0	115.1	L192 T193 L194 P444	L192-N196 PolarHBondContact O-N 3.27Å; L192-N196 PolarHBondContact O-ND2 3.39Å; T193-N196 PolarHBondContact O-N 2.71Å; L194-N196 VanDerWaalsContact C-N 3.27Å; L194-N196 PolarHBondContact O-N 2.9Å; N196-P444 WeakPolarHBondContact O-CB 3.39Å
197	Q	94.7	Very high	95.5	Very high	58 Å²	58	44.3 Å²	44.3	27%	0.271	27%	0.269	S	S	.	.	S	Bend	trans	-121.4	155.9	172.5	70.7	-171.4	-3.1	0	0	110.5	T193 E201 A202 N232 G233	T193-Q197 WeakPolarHBondContact O-CG 3.49Å; T193-Q197 PolarHBondContact O-N 2.88Å; T193-Q197 VanDerWaalsContact O-N 3.13Å; Q197-E201 HydrophobicContact CB-CB 4.43Å; Q197-A202 HydrophobicContact CG-CB 4.07Å; Q197-A202 VanDerWaalsContact NE2-CB 3.33Å; Q197-N232 VanDerWaalsContact O-CA 3.29Å; Q197-N232 WeakPolarHBondContact O-CA 3.47Å; Q197-G233 PolarHBondContact O-N 3.35Å
198	T	97.1	Very high	95.5	Very high	20 Å²	20	44.6 Å²	44.6	12%	0.123	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-68.3	157	175.4	61.8	0	0	0	0	110.8	E200 E201 A202 I231 P444	T198-E200 PolarHBondContact O-N 2.96Å; T198-E201 WeakPolarHBondContact CB-OE2 3.46Å; T198-E201 PolarHBondContact N-OE2 3.08Å; T198-E201 PolarHBondContact O-N 2.7Å; T198-E201 WeakPolarHBondContact OG1-CB 3.44Å; T198-E201 WeakPolarHBondContact OG1-CG 3.48Å; T198-E201 PolarHBondContact OG1-N 3.26Å; T198-E201 VanDerWaalsContact OG1-N 3.11Å; T198-E201 PolarHBondContact OG1-OE2 3.17Å; T198-A202 WeakPolarHBondContact O-CB 3.3Å; T198-A202 PolarHBondContact O-N 2.89Å; T198-I231 CarbonylContact C-O 3.55Å; T198-I231 VanDerWaalsContact CA-O 3.32Å; T198-I231 WeakPolarHBondContact CA-O 3.47Å; T198-P444 HydrophobicContact CG2-CG 4.03Å
199	L	97.6	Very high	95.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.9	-41	172.8	175.5	62.4	0	0	0	110.9	W155 A202 M203 I217 T221 V229 I231	W155-L199 HydrophobicContact CH2-CD1 3.85Å; W155-L199 HydrophobicContact CZ3-CD1 4.38Å; L199-A202 PolarHBondContact O-N 3.13Å; L199-M203 HydrophobicContact CD1-CG 3.78Å; L199-M203 HydrophobicContact CD1-SD 3.66Å; L199-M203 HydrophobicContact CD2-SD 4.5Å; L199-M203 HydrophobicContact CG-CG 4.33Å; L199-M203 HydrophobicContact CG-SD 3.95Å; L199-M203 WeakPolarHBondContact O-CB 3.35Å; L199-M203 WeakPolarHBondContact O-CG 3.36Å; L199-M203 PolarHBondContact O-N 2.77Å; L199-I217 HydrophobicContact CD2-CG2 3.52Å; L199-I217 HydrophobicContact CG-CG2 4.27Å; L199-T221 HydrophobicContact CD2-CG2 3.62Å; L199-V229 WeakPolarHBondContact CB-O 3.42Å; L199-V229 HydrophobicContact CD2-CG1 4.4Å; L199-V229 PolarHBondContact N-O 3.15Å; L199-I231 HydrophobicContact CB-CG1 4.29Å; L199-I231 PolarHBondContact N-O 3.02Å
200	E	97.3	Very high	95.5	Very high	44 Å²	44	44.5 Å²	44.5	21%	0.206	27%	0.265	C	S	.	.	H	α-helix	trans	-56.8	-52.2	175	-178	169.9	-121	0	0	111.9	T198 A202 M203 M204 Q210 I213 V229	T198-E200 PolarHBondContact O-N 2.96Å; E200-A202 VanDerWaalsContact C-N 3.35Å; E200-A202 PolarHBondContact O-N 2.95Å; E200-M203 PolarHBondContact O-N 2.82Å; E200-M204 HydrophobicContact CG-CG 4.45Å; E200-M204 HydrophobicContact CG-SD 3.96Å; E200-M204 WeakPolarHBondContact O-CB 3.23Å; E200-M204 VanDerWaalsContact O-CG 3.24Å; E200-M204 WeakPolarHBondContact O-CG 3.37Å; E200-M204 PolarHBondContact O-N 2.88Å; E200-Q210 PolarHBondContact OE1-NE2 3.1Å; E200-I213 HydrophobicContact CG-CG2 4.45Å; E200-V229 HydrophobicContact CB-CB 4.22Å; E200-V229 HydrophobicContact CB-CG2 3.89Å; E200-V229 HydrophobicContact CG-CG2 4.41Å; E200-V229 PolarHBondContact N-O 3.43Å; E200-V229 VanDerWaalsContact N-O 3.15Å
201	E	97.2	Very high	95.3	Very high	110 Å²	110	44.9 Å²	44.9	51%	0.514	27%	0.271	S	S	.	.	H	α-helix	trans	-60.1	-43.5	177.3	-72.9	159.8	155.2	0	0	112.1	Q197 T198 G205	Q197-E201 HydrophobicContact CB-CB 4.43Å; T198-E201 WeakPolarHBondContact CB-OE2 3.46Å; T198-E201 PolarHBondContact N-OE2 3.08Å; T198-E201 PolarHBondContact O-N 2.7Å; T198-E201 WeakPolarHBondContact OG1-CB 3.44Å; T198-E201 WeakPolarHBondContact OG1-CG 3.48Å; T198-E201 PolarHBondContact OG1-N 3.26Å; T198-E201 VanDerWaalsContact OG1-N 3.11Å; T198-E201 PolarHBondContact OG1-OE2 3.17Å; E201-G205 PolarHBondContact O-N 2.93Å
202	A	96.9	Very high	95.2	Very high	4 Å²	4	45 Å²	45	3%	0.033	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-49.2	178.6	0	0	0	0	0	111.7	L194 Q197 T198 L199 E200 G205 D206	L194-A202 HydrophobicContact CD2-CB 3.96Å; Q197-A202 HydrophobicContact CG-CB 4.07Å; Q197-A202 VanDerWaalsContact NE2-CB 3.33Å; T198-A202 WeakPolarHBondContact O-CB 3.3Å; T198-A202 PolarHBondContact O-N 2.89Å; L199-A202 PolarHBondContact O-N 3.13Å; E200-A202 VanDerWaalsContact C-N 3.35Å; E200-A202 PolarHBondContact O-N 2.95Å; A202-G205 PolarHBondContact O-N 2.83Å; A202-D206 PolarHBondContact O-N 3.14Å
203	M	97	Very high	95.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-72.5	-36.6	-178.6	-67	-171.7	76.1	0	0	111.9	L199 E200 G205 D206 G207 F208 F212 I213 I217 L240	L199-M203 HydrophobicContact CD1-CG 3.78Å; L199-M203 HydrophobicContact CD1-SD 3.66Å; L199-M203 HydrophobicContact CD2-SD 4.5Å; L199-M203 HydrophobicContact CG-CG 4.33Å; L199-M203 HydrophobicContact CG-SD 3.95Å; L199-M203 WeakPolarHBondContact O-CB 3.35Å; L199-M203 WeakPolarHBondContact O-CG 3.36Å; L199-M203 PolarHBondContact O-N 2.77Å; E200-M203 PolarHBondContact O-N 2.82Å; M203-G205 VanDerWaalsContact C-N 3.31Å; M203-G205 PolarHBondContact O-N 3.1Å; M203-D206 CarbonylContact O-C 3.57Å; M203-D206 WeakPolarHBondContact O-CA 3.26Å; M203-D206 PolarHBondContact O-N 3.27Å; M203-G207 PolarHBondContact O-N 3.49Å; M203-G207 VanDerWaalsContact O-N 3.16Å; M203-F208 HydrophobicContact CB-CB 4.09Å; M203-F208 HydrophobicContact CB-CD2 3.79Å; M203-F208 HydrophobicContact CB-CG 4.12Å; M203-F208 HydrophobicContact CE-CB 4.42Å; M203-F208 HydrophobicContact CE-CD1 3.66Å; M203-F208 HydrophobicContact CE-CD2 3.83Å; M203-F208 HydrophobicContact CE-CE1 3.7Å; M203-F208 HydrophobicContact CE-CE2 3.87Å; M203-F208 HydrophobicContact CE-CG 3.71Å; M203-F208 HydrophobicContact CE-CZ 3.8Å; M203-F208 HydrophobicContact CG-CD2 4.29Å; M203-F208 WeakPolarHBondContact O-CB 3.17Å; M203-F208 WeakPolarHBondContact O-CD2 3.29Å; M203-F208 PolarHBondContact O-N 3.29Å; M203-F212 HydrophobicContact CE-CE1 4.46Å; M203-I213 HydrophobicContact CB-CD1 4.02Å; M203-I213 HydrophobicContact CB-CG1 4.37Å; M203-I217 HydrophobicContact CE-CD1 3.66Å; M203-I217 HydrophobicContact CE-CG1 3.75Å; M203-I217 HydrophobicContact SD-CB 4.45Å; M203-I217 HydrophobicContact SD-CD1 4.15Å; M203-I217 HydrophobicContact SD-CG1 3.91Å; M203-I217 HydrophobicContact SD-CG2 3.81Å; M203-L240 HydrophobicContact CE-CD1 4.4Å; M203-L240 HydrophobicContact SD-CD1 4.16Å
204	M	96.6	Very high	95.1	Very high	96 Å²	96	42.9 Å²	42.9	47%	0.473	26%	0.257	S	S	.	.	H	α-helix	trans	-63.3	-40	172.6	-72.2	-176.4	75.1	0	0	111.6	E200 D206 G207 I213	E200-M204 HydrophobicContact CG-CG 4.45Å; E200-M204 HydrophobicContact CG-SD 3.96Å; E200-M204 WeakPolarHBondContact O-CB 3.23Å; E200-M204 VanDerWaalsContact O-CG 3.24Å; E200-M204 WeakPolarHBondContact O-CG 3.37Å; E200-M204 PolarHBondContact O-N 2.88Å; M204-D206 VanDerWaalsContact C-N 3.27Å; M204-D206 PolarHBondContact O-N 2.84Å; M204-G207 PolarHBondContact O-N 3.19Å; M204-I213 HydrophobicContact CG-CD1 3.62Å
205	G	95.2	Very high	94.9	Very high	67 Å²	67	43.9 Å²	43.9	69%	0.691	26%	0.263	S	S	*	.	H	α-helix	trans	-60	-38.2	172.9	0	0	0	0	0	112.4	E201 A202 M203 G207	E201-G205 PolarHBondContact O-N 2.93Å; A202-G205 PolarHBondContact O-N 2.83Å; M203-G205 VanDerWaalsContact C-N 3.31Å; M203-G205 PolarHBondContact O-N 3.1Å; G205-G207 PolarHBondContact O-N 3.36Å
206	D	94.2	Very high	94.8	Very high	73 Å²	73	44 Å²	44	39%	0.39	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	30.7	170.3	-72.2	-19.8	0	0	0	112.2	R151 W155 A202 M203 M204 F208	R151-D206 PolarHBondContact NE-O 2.95Å; R151-D206 PolarHBondContact NH1-O 3.4Å; R151-D206 VanDerWaalsContact NH2-C 3.28Å; R151-D206 PolarHBondContact NH2-O 2.88Å; W155-D206 PolarHBondContact NE1-OD2 2.79Å; A202-D206 PolarHBondContact O-N 3.14Å; M203-D206 CarbonylContact O-C 3.57Å; M203-D206 WeakPolarHBondContact O-CA 3.26Å; M203-D206 PolarHBondContact O-N 3.27Å; M204-D206 VanDerWaalsContact C-N 3.27Å; M204-D206 PolarHBondContact O-N 2.84Å; D206-F208 VanDerWaalsContact C-N 3.3Å; D206-F208 HydrophobicContact CB-CD2 4.17Å; D206-F208 HydrophobicContact CB-CE2 4.12Å; D206-F208 VanDerWaalsContact O-CD2 3.29Å; D206-F208 WeakPolarHBondContact O-CD2 3.09Å; D206-F208 PolarHBondContact O-N 2.9Å; D206-F208 VanDerWaalsContact O-N 3.14Å
207	G	93.8	Very high	94.9	Very high	46 Å²	46	39.9 Å²	39.9	47%	0.474	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	21.7	165.4	0	0	0	0	0	117.2	R151 M203 M204 G205	R151-G207 VanDerWaalsContact NH1-C 3.34Å; R151-G207 PolarHBondContact NH1-O 3.35Å; M203-G207 PolarHBondContact O-N 3.49Å; M203-G207 VanDerWaalsContact O-N 3.16Å; M204-G207 PolarHBondContact O-N 3.19Å; G205-G207 PolarHBondContact O-N 3.36Å
208	F	95.4	Very high	94.9	Very high	12 Å²	12	37.3 Å²	37.3	5%	0.053	23%	0.23	C	C	.	.			trans	-75.9	144.7	168.4	-68.3	-94.1	0	0	0	110.5	G148 R151 M152 W155 M203 D206 F212 I213	G148-F208 WeakPolarHBondContact O-CE1 3.17Å; R151-F208 HydrophobicContact CB-CE1 3.91Å; R151-F208 HydrophobicContact CB-CZ 3.93Å; R151-F208 HydrophobicContact CG-CE1 4.04Å; R151-F208 HydrophobicContact CG-CE2 4.1Å; R151-F208 HydrophobicContact CG-CZ 3.62Å; M152-F208 HydrophobicContact CB-CE1 3.94Å; M152-F208 HydrophobicContact CB-CZ 4.29Å; W155-F208 HydrophobicContact CB-CZ 4.27Å; W155-F208 HydrophobicContact CG-CE2 4.47Å; M203-F208 HydrophobicContact CB-CB 4.09Å; M203-F208 HydrophobicContact CB-CD2 3.79Å; M203-F208 HydrophobicContact CB-CG 4.12Å; M203-F208 HydrophobicContact CE-CB 4.42Å; M203-F208 HydrophobicContact CE-CD1 3.66Å; M203-F208 HydrophobicContact CE-CD2 3.83Å; M203-F208 HydrophobicContact CE-CE1 3.7Å; M203-F208 HydrophobicContact CE-CE2 3.87Å; M203-F208 HydrophobicContact CE-CG 3.71Å; M203-F208 HydrophobicContact CE-CZ 3.8Å; M203-F208 HydrophobicContact CG-CD2 4.29Å; M203-F208 WeakPolarHBondContact O-CB 3.17Å; M203-F208 WeakPolarHBondContact O-CD2 3.29Å; M203-F208 PolarHBondContact O-N 3.29Å; D206-F208 VanDerWaalsContact C-N 3.3Å; D206-F208 HydrophobicContact CB-CD2 4.17Å; D206-F208 HydrophobicContact CB-CE2 4.12Å; D206-F208 VanDerWaalsContact O-CD2 3.29Å; D206-F208 WeakPolarHBondContact O-CD2 3.09Å; D206-F208 PolarHBondContact O-N 2.9Å; D206-F208 VanDerWaalsContact O-N 3.14Å; F208-F212 AromaticContact CD1-CD1 3.62Å; F208-F212 HydrophobicContact CD1-CD1 3.62Å; F208-F212 AromaticContact CD1-CE1 3.68Å; F208-F212 HydrophobicContact CD1-CE1 3.68Å; F208-F212 HydrophobicContact CE1-CD1 4.3Å; F208-F212 AromaticContact CE1-CE1 3.88Å; F208-F212 HydrophobicContact CE1-CE1 3.88Å; F208-I213 HydrophobicContact CB-CD1 4.33Å; F208-I213 HydrophobicContact CB-CG1 4.3Å
209	S	94.6	Very high	94.9	Very high	62 Å²	62	36.3 Å²	36.3	43%	0.434	22%	0.224	S	C	.	.			trans	-78.7	148.9	177.4	72	0	0	0	0	111.3	A211 F212 I213	S209-A211 PolarHBondContact O-N 2.9Å; S209-F212 PolarHBondContact O-N 2.93Å; S209-F212 VanDerWaalsContact O-N 3.11Å; S209-F212 WeakPolarHBondContact OG-CB 3.46Å; S209-F212 PolarHBondContact OG-N 3.2Å; S209-I213 WeakPolarHBondContact O-CG1 3.26Å; S209-I213 PolarHBondContact O-N 3.27Å
210	Q	94.1	Very high	94.8	Very high	69 Å²	69	36.8 Å²	36.8	32%	0.322	23%	0.227	S	C	.	.	H	α-helix	trans	-56.5	-37	174.5	-170.8	67	55.8	0	0	112.2	E200 I213 N214	E200-Q210 PolarHBondContact OE1-NE2 3.1Å; Q210-I213 PolarHBondContact O-N 3.06Å; Q210-N214 PolarHBondContact NE2-OD1 3.24Å; Q210-N214 WeakPolarHBondContact O-CB 3.28Å; Q210-N214 PolarHBondContact O-N 3.45Å; Q210-N214 PolarHBondContact O-OD1 3.05Å
211	A	92.4	Very high	94.7	Very high	52 Å²	52	34.7 Å²	34.7	43%	0.43	22%	0.217	S	C	.	.	H	α-helix	trans	-62.2	-43.4	177.6	0	0	0	0	0	111.8	S209 N214 D215	S209-A211 PolarHBondContact O-N 2.9Å; A211-N214 PolarHBondContact O-N 3.22Å; A211-D215 VanDerWaalsContact O-CB 3.23Å; A211-D215 WeakPolarHBondContact O-CB 3.35Å; A211-D215 VanDerWaalsContact O-CG 3.31Å; A211-D215 PolarHBondContact O-N 3.02Å
212	F	93.1	Very high	94.6	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-65.9	-40.6	175.9	-176.6	-102.7	0	0	0	111.9	M141 Y145 M152 M203 F208 S209 N214 I216 I217	M141-F212 HydrophobicContact CE-CE2 4.08Å; Y145-F212 HydrophobicContact CD1-CB 4.19Å; Y145-F212 AromaticContact CD1-CD2 3.88Å; Y145-F212 HydrophobicContact CD1-CD2 3.88Å; Y145-F212 HydrophobicContact CD2-CD2 4.4Å; Y145-F212 AromaticContact CG-CD2 3.73Å; Y145-F212 HydrophobicContact CG-CD2 3.73Å; Y145-F212 HydrophobicContact CG-CE2 4.42Å; M152-F212 HydrophobicContact CB-CE1 4.2Å; M152-F212 HydrophobicContact CB-CZ 4.19Å; M152-F212 HydrophobicContact SD-CE1 4.37Å; M152-F212 HydrophobicContact SD-CZ 4.15Å; M203-F212 HydrophobicContact CE-CE1 4.46Å; F208-F212 AromaticContact CD1-CD1 3.62Å; F208-F212 HydrophobicContact CD1-CD1 3.62Å; F208-F212 AromaticContact CD1-CE1 3.68Å; F208-F212 HydrophobicContact CD1-CE1 3.68Å; F208-F212 HydrophobicContact CE1-CD1 4.3Å; F208-F212 AromaticContact CE1-CE1 3.88Å; F208-F212 HydrophobicContact CE1-CE1 3.88Å; S209-F212 PolarHBondContact O-N 2.93Å; S209-F212 VanDerWaalsContact O-N 3.11Å; S209-F212 WeakPolarHBondContact OG-CB 3.46Å; S209-F212 PolarHBondContact OG-N 3.2Å; F212-N214 VanDerWaalsContact C-N 3.35Å; F212-N214 PolarHBondContact O-N 3.23Å; F212-I216 HydrophobicContact CD2-CB 4.12Å; F212-I216 HydrophobicContact CD2-CG1 3.75Å; F212-I216 HydrophobicContact CE2-CB 3.95Å; F212-I216 HydrophobicContact CE2-CG1 3.74Å; F212-I216 HydrophobicContact CE2-CG2 4.03Å; F212-I216 HydrophobicContact CZ-CB 4.25Å; F212-I216 HydrophobicContact CZ-CG2 4.03Å; F212-I216 WeakPolarHBondContact O-CB 3.24Å; F212-I216 PolarHBondContact O-N 3.44Å; F212-I217 HydrophobicContact CD1-CD1 4.3Å; F212-I217 HydrophobicContact CD1-CG1 4.07Å; F212-I217 HydrophobicContact CE1-CD1 3.72Å; F212-I217 HydrophobicContact CE1-CG1 4.01Å; F212-I217 HydrophobicContact CZ-CD1 4.37Å; F212-I217 PolarHBondContact O-N 3.4Å
213	I	95.6	Very high	94.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.203	C	C	.	.	I	π-helix	trans	-60.5	-45.8	176.5	-66.7	171.1	0	0	0	110.7	E200 M203 M204 F208 S209 Q210 I217 A218 V229	E200-I213 HydrophobicContact CG-CG2 4.45Å; M203-I213 HydrophobicContact CB-CD1 4.02Å; M203-I213 HydrophobicContact CB-CG1 4.37Å; M204-I213 HydrophobicContact CG-CD1 3.62Å; F208-I213 HydrophobicContact CB-CD1 4.33Å; F208-I213 HydrophobicContact CB-CG1 4.3Å; S209-I213 WeakPolarHBondContact O-CG1 3.26Å; S209-I213 PolarHBondContact O-N 3.27Å; Q210-I213 PolarHBondContact O-N 3.06Å; I213-I217 WeakPolarHBondContact O-CB 3.29Å; I213-I217 PolarHBondContact O-N 2.9Å; I213-A218 PolarHBondContact O-N 2.83Å; I213-V229 HydrophobicContact CG2-CB 4.17Å; I213-V229 HydrophobicContact CG2-CG1 3.89Å; I213-V229 HydrophobicContact CG2-CG2 3.98Å
214	N	92.8	Very high	94.3	Very high	71 Å²	71	33.6 Å²	33.6	38%	0.38	21%	0.214	S	C	.	.	I	π-helix	trans	-72.4	-42.1	-178.4	-67.8	-8	0	0	0	113	Q210 A211 F212 P219	Q210-N214 PolarHBondContact NE2-OD1 3.24Å; Q210-N214 WeakPolarHBondContact O-CB 3.28Å; Q210-N214 PolarHBondContact O-N 3.45Å; Q210-N214 PolarHBondContact O-OD1 3.05Å; A211-N214 PolarHBondContact O-N 3.22Å; F212-N214 VanDerWaalsContact C-N 3.35Å; F212-N214 PolarHBondContact O-N 3.23Å; N214-P219 WeakPolarHBondContact O-CD 3.3Å
215	D	90.5	Very high	94.2	Very high	38 Å²	38	29.5 Å²	29.5	20%	0.203	19%	0.193	C	C	.	.	I	π-helix	trans	-84.4	-27.4	-171.8	-71.7	6.6	0	0	0	113.1	I120 R144 Y145 A211 P219	I120-D215 VanDerWaalsContact CD1-O 3.31Å; I120-D215 WeakPolarHBondContact CD1-O 3.4Å; R144-D215 IonicContact CZ-OD2 2.72Å; R144-D215 IonicContact NE-OD2 2.7Å; R144-D215 IonicContact NH2-OD2 3.8Å; R144-D215 PolarHBondContact NH2-OD2 2.93Å; Y145-D215 HydrophobicContact CE1-CB 3.84Å; Y145-D215 WeakPolarHBondContact OH-CB 3.43Å; Y145-D215 PolarHBondContact OH-OD2 3.46Å; A211-D215 VanDerWaalsContact O-CB 3.23Å; A211-D215 WeakPolarHBondContact O-CB 3.35Å; A211-D215 VanDerWaalsContact O-CG 3.31Å; A211-D215 PolarHBondContact O-N 3.02Å; D215-P219 WeakPolarHBondContact O-CG 3.25Å
216	I	91.4	Very high	94.2	Very high	14 Å²	14	26.7 Å²	26.7	7%	0.072	16%	0.164	C	C	.	.	I	π-helix	trans	-118.8	-51.5	-173.4	-55.8	-62.1	0	0	0	111.4	I120 M141 Y145 F212 P219 I220	I120-I216 HydrophobicContact CD1-CD1 3.88Å; M141-I216 HydrophobicContact CE-CD1 3.98Å; M141-I216 HydrophobicContact CE-CG1 4.18Å; M141-I216 HydrophobicContact SD-CD1 4.33Å; Y145-I216 HydrophobicContact CD2-CD1 4.47Å; Y145-I216 HydrophobicContact CD2-CG1 4.37Å; Y145-I216 HydrophobicContact CE1-CG1 4.45Å; Y145-I216 HydrophobicContact CE2-CD1 3.82Å; Y145-I216 HydrophobicContact CE2-CG1 4.02Å; F212-I216 HydrophobicContact CD2-CB 4.12Å; F212-I216 HydrophobicContact CD2-CG1 3.75Å; F212-I216 HydrophobicContact CE2-CB 3.95Å; F212-I216 HydrophobicContact CE2-CG1 3.74Å; F212-I216 HydrophobicContact CE2-CG2 4.03Å; F212-I216 HydrophobicContact CZ-CB 4.25Å; F212-I216 HydrophobicContact CZ-CG2 4.03Å; F212-I216 WeakPolarHBondContact O-CB 3.24Å; F212-I216 PolarHBondContact O-N 3.44Å; I216-P219 WeakPolarHBondContact O-CD 3.4Å; I216-I220 HydrophobicContact CG2-CD1 4.11Å; I216-I220 WeakPolarHBondContact O-CD1 3.49Å; I216-I220 VanDerWaalsContact O-CG1 3.29Å; I216-I220 WeakPolarHBondContact O-CG1 3.34Å; I216-I220 PolarHBondContact O-N 3.3Å
217	I	95.4	Very high	94.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.15	C	C	.	.	I	π-helix	trans	-72.9	-45.4	-172.7	-53.1	-58.4	0	0	0	111.6	M152 L199 M203 F212 I213 I220 T221 V229 L240	M152-I217 HydrophobicContact CG-CD1 4.18Å; M152-I217 HydrophobicContact SD-CD1 3.54Å; M152-I217 VanDerWaalsContact SD-CD1 3.54Å; L199-I217 HydrophobicContact CD2-CG2 3.52Å; L199-I217 HydrophobicContact CG-CG2 4.27Å; M203-I217 HydrophobicContact CE-CD1 3.66Å; M203-I217 HydrophobicContact CE-CG1 3.75Å; M203-I217 HydrophobicContact SD-CB 4.45Å; M203-I217 HydrophobicContact SD-CD1 4.15Å; M203-I217 HydrophobicContact SD-CG1 3.91Å; M203-I217 HydrophobicContact SD-CG2 3.81Å; F212-I217 HydrophobicContact CD1-CD1 4.3Å; F212-I217 HydrophobicContact CD1-CG1 4.07Å; F212-I217 HydrophobicContact CE1-CD1 3.72Å; F212-I217 HydrophobicContact CE1-CG1 4.01Å; F212-I217 HydrophobicContact CZ-CD1 4.37Å; F212-I217 PolarHBondContact O-N 3.4Å; I213-I217 WeakPolarHBondContact O-CB 3.29Å; I213-I217 PolarHBondContact O-N 2.9Å; I217-I220 PolarHBondContact O-N 2.87Å; I217-I220 VanDerWaalsContact O-N 3.13Å; I217-T221 HydrophobicContact CG2-CG2 4.42Å; I217-T221 PolarHBondContact O-N 2.76Å; I217-V229 HydrophobicContact CB-CG1 4.33Å; I217-V229 HydrophobicContact CG2-CG1 3.86Å; I217-L240 HydrophobicContact CD1-CD1 4.11Å; I217-L240 HydrophobicContact CD1-CD2 3.66Å; I217-L240 HydrophobicContact CG2-CD1 4.49Å; I217-L240 HydrophobicContact CG2-CD2 4.24Å
218	A	95.8	Very high	94.1	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.025	14%	0.136	C	C	.	.	H	α-helix	trans	-61.1	-43.5	-179.6	0	0	0	0	0	113.3	I213 I220 T221 R222 V229 D376	I213-A218 PolarHBondContact O-N 2.83Å; A218-I220 VanDerWaalsContact C-N 3.29Å; A218-I220 PolarHBondContact O-N 2.85Å; A218-T221 PolarHBondContact O-N 3.16Å; A218-T221 PolarHBondContact O-OG1 3.27Å; A218-T221 VanDerWaalsContact O-OG1 3.09Å; A218-R222 WeakPolarHBondContact O-CB 3.49Å; A218-R222 WeakPolarHBondContact O-CD 3.23Å; A218-R222 WeakPolarHBondContact O-CG 3.46Å; A218-R222 PolarHBondContact O-N 3.47Å; A218-V229 HydrophobicContact CB-CG1 3.83Å; A218-D376 HydrophobicContact CB-CB 4.24Å
219	P	95.8	Very high	94.1	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-55.8	-41	171.4	-25.4	31.1	0	0	0	113.9	I120 N214 D215 I216 R222 V223 L373 T374 T375	I120-P219 HydrophobicContact CG2-CB 4.33Å; I120-P219 HydrophobicContact CG2-CG 3.85Å; N214-P219 WeakPolarHBondContact O-CD 3.3Å; D215-P219 WeakPolarHBondContact O-CG 3.25Å; I216-P219 WeakPolarHBondContact O-CD 3.4Å; P219-R222 PolarHBondContact O-N 3.3Å; P219-V223 WeakPolarHBondContact O-CG1 3.23Å; P219-V223 PolarHBondContact O-N 3.39Å; P219-L373 HydrophobicContact CB-CB 3.74Å; P219-L373 HydrophobicContact CB-CD2 4.12Å; P219-T374 VanDerWaalsContact CA-O 3.31Å; P219-T374 WeakPolarHBondContact CA-O 3.29Å; P219-T375 HydrophobicContact CG-CG2 4.21Å
220	I	95.6	Very high	94.2	Very high	10 Å²	10	27.5 Å²	27.5	5%	0.051	14%	0.143	C	C	.	.	H	α-helix	trans	-65.9	-44.9	179.5	-63	164.4	0	0	0	111.1	I216 I217 A218 R222 V223 N224 S239 L240 T243 L373	I216-I220 HydrophobicContact CG2-CD1 4.11Å; I216-I220 WeakPolarHBondContact O-CD1 3.49Å; I216-I220 VanDerWaalsContact O-CG1 3.29Å; I216-I220 WeakPolarHBondContact O-CG1 3.34Å; I216-I220 PolarHBondContact O-N 3.3Å; I217-I220 PolarHBondContact O-N 2.87Å; I217-I220 VanDerWaalsContact O-N 3.13Å; A218-I220 VanDerWaalsContact C-N 3.29Å; A218-I220 PolarHBondContact O-N 2.85Å; I220-R222 VanDerWaalsContact C-N 3.29Å; I220-R222 PolarHBondContact O-N 3.07Å; I220-V223 VanDerWaalsContact O-CG1 3.23Å; I220-V223 WeakPolarHBondContact O-CG1 3.21Å; I220-N224 WeakPolarHBondContact O-CB 3.4Å; I220-N224 PolarHBondContact O-N 3.08Å; I220-N224 VanDerWaalsContact O-N 3.16Å; I220-S239 WeakPolarHBondContact CG2-O 3.43Å; I220-S239 PolarHBondContact O-OG 3.03Å; I220-L240 HydrophobicContact CB-CD2 4.15Å; I220-L240 HydrophobicContact CD1-CD2 3.74Å; I220-L240 HydrophobicContact CG2-CD2 3.89Å; I220-T243 HydrophobicContact CB-CG2 4.36Å; I220-T243 HydrophobicContact CD1-CG2 3.78Å; I220-T243 HydrophobicContact CG1-CG2 3.81Å; I220-T243 HydrophobicContact CG2-CG2 3.6Å; I220-L373 HydrophobicContact CG1-CD2 4.2Å
221	T	95.8	Very high	94.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.3	-32.8	178	65.9	0	0	0	0	112.2	L199 I217 A218 Y225 G226 Q227 I231 S239	L199-T221 HydrophobicContact CD2-CG2 3.62Å; I217-T221 HydrophobicContact CG2-CG2 4.42Å; I217-T221 PolarHBondContact O-N 2.76Å; A218-T221 PolarHBondContact O-N 3.16Å; A218-T221 PolarHBondContact O-OG1 3.27Å; A218-T221 VanDerWaalsContact O-OG1 3.09Å; T221-Y225 WeakPolarHBondContact O-CA 3.27Å; T221-Y225 WeakPolarHBondContact O-CB 3.24Å; T221-Y225 PolarHBondContact O-N 3.25Å; T221-G226 PolarHBondContact O-N 2.81Å; T221-Q227 CarbonylContact C-O 3.58Å; T221-Q227 VanDerWaalsContact C-O 3.25Å; T221-Q227 WeakPolarHBondContact CB-O 3.4Å; T221-Q227 PolarHBondContact OG1-O 3.46Å; T221-I231 HydrophobicContact CG2-CD1 3.73Å; T221-S239 WeakPolarHBondContact CA-OG 3.49Å
222	R	95	Very high	94.4	Very high	19 Å²	19	21.8 Å²	21.8	7%	0.072	11%	0.108	C	C	.	.	H	α-helix	trans	-68.3	-44.8	178	-74.2	169	61.1	78.6	9.7	112.1	A218 P219 I220 G226 Q227 T374 T375 D376 I382 N383	A218-R222 WeakPolarHBondContact O-CB 3.49Å; A218-R222 WeakPolarHBondContact O-CD 3.23Å; A218-R222 WeakPolarHBondContact O-CG 3.46Å; A218-R222 PolarHBondContact O-N 3.47Å; P219-R222 PolarHBondContact O-N 3.3Å; I220-R222 VanDerWaalsContact C-N 3.29Å; I220-R222 PolarHBondContact O-N 3.07Å; R222-G226 WeakPolarHBondContact O-CA 3.26Å; R222-G226 PolarHBondContact O-N 2.92Å; R222-Q227 PolarHBondContact N-O 3.05Å; R222-T374 VanDerWaalsContact CD-O 3.31Å; R222-T374 WeakPolarHBondContact CD-O 3.49Å; R222-T374 PolarHBondContact NE-O 2.8Å; R222-T374 VanDerWaalsContact NE-O 3.09Å; R222-T374 PolarHBondContact NE-OG1 2.74Å; R222-T374 PolarHBondContact NH2-OG1 3.24Å; R222-T375 PolarHBondContact NE-O 2.65Å; R222-D376 IonicContact CZ-OD1 2.73Å; R222-D376 IonicContact NH1-OD1 3.4Å; R222-D376 PolarHBondContact NH1-OD1 3.01Å; R222-I382 PolarHBondContact NH2-O 3.15Å; R222-N383 PolarHBondContact NH2-OD1 3.31Å
223	V	93.8	Very high	94.6	Very high	32 Å²	32	21.7 Å²	21.7	19%	0.194	11%	0.107	C	C	.	.	H	α-helix	trans	-66.7	-40	177.3	63.6	0	0	0	0	112	P219 I220 L373	P219-V223 WeakPolarHBondContact O-CG1 3.23Å; P219-V223 PolarHBondContact O-N 3.39Å; I220-V223 VanDerWaalsContact O-CG1 3.23Å; I220-V223 WeakPolarHBondContact O-CG1 3.21Å; V223-L373 HydrophobicContact CB-CG 4.32Å; V223-L373 HydrophobicContact CG1-CD2 3.95Å; V223-L373 HydrophobicContact CG1-CG 4.07Å
224	N	94.4	Very high	94.6	Very high	40 Å²	40	21.8 Å²	21.8	21%	0.214	11%	0.108	C	C	.	.	H	α-helix	trans	-83.3	-38.2	-174.4	-73.6	-24.3	0	0	0	113.5	I220 S239 Y439	I220-N224 WeakPolarHBondContact O-CB 3.4Å; I220-N224 PolarHBondContact O-N 3.08Å; I220-N224 VanDerWaalsContact O-N 3.16Å; N224-S239 WeakPolarHBondContact CB-OG 3.39Å; N224-S239 PolarHBondContact ND2-O 3.01Å; N224-Y439 WeakPolarHBondContact O-CE2 3.44Å; N224-Y439 PolarHBondContact O-OH 3.19Å
225	Y	94.3	Very high	94.8	Very high	9 Å²	9	18.4 Å²	18.4	4%	0.035	9%	0.09	C	C	.	.	H	α-helix	trans	-122.9	-5.3	-172.8	-75.3	-78.8	0	0	0	115	T221 Q227 V235 V238 Y439 Y442 S469	T221-Y225 WeakPolarHBondContact O-CA 3.27Å; T221-Y225 WeakPolarHBondContact O-CB 3.24Å; T221-Y225 PolarHBondContact O-N 3.25Å; Y225-Q227 PolarHBondContact O-N 3.22Å; Y225-V235 HydrophobicContact CD1-CG1 3.91Å; Y225-V235 HydrophobicContact CD2-CG1 3.86Å; Y225-V235 HydrophobicContact CE1-CG1 3.75Å; Y225-V235 HydrophobicContact CE2-CG1 3.68Å; Y225-V235 HydrophobicContact CG-CG1 3.96Å; Y225-V238 VanDerWaalsContact OH-CG1 3.3Å; Y225-V238 WeakPolarHBondContact OH-CG1 3.31Å; Y225-Y439 AromaticContact CD1-CD1 3.52Å; Y225-Y439 HydrophobicContact CD1-CD1 3.52Å; Y225-Y439 AromaticContact CD1-CD2 3.99Å; Y225-Y439 HydrophobicContact CD1-CD2 3.99Å; Y225-Y439 AromaticContact CD1-CE1 3.76Å; Y225-Y439 HydrophobicContact CD1-CE1 3.76Å; Y225-Y439 HydrophobicContact CD1-CE2 4.2Å; Y225-Y439 AromaticContact CD1-CG 3.64Å; Y225-Y439 HydrophobicContact CD1-CG 3.64Å; Y225-Y439 AromaticContact CE1-CD1 3.63Å; Y225-Y439 HydrophobicContact CE1-CD1 3.63Å; Y225-Y439 AromaticContact CE1-CE1 3.72Å; Y225-Y439 HydrophobicContact CE1-CE1 3.72Å; Y225-Y439 HydrophobicContact CE1-CG 4.23Å; Y225-Y439 VanDerWaalsContact O-CD2 3.32Å; Y225-Y439 WeakPolarHBondContact O-CD2 3.18Å; Y225-Y442 HydrophobicContact CD1-CD2 4.45Å; Y225-Y442 AromaticContact CD1-CE2 3.79Å; Y225-Y442 HydrophobicContact CD1-CE2 3.79Å; Y225-Y442 AromaticContact CE1-CE2 3.96Å; Y225-Y442 HydrophobicContact CE1-CE2 3.96Å; Y225-S469 WeakPolarHBondContact CE1-O 3.18Å; Y225-S469 PolarHBondContact OH-O 3.38Å
226	G	93.8	Very high	95.1	Very high	9 Å²	9	16.6 Å²	16.6	9%	0.093	8%	0.08	C	C	.	.	S	Bend	trans	63	16.5	-174.4	0	0	0	0	0	113.5	T221 R222 H342	T221-G226 PolarHBondContact O-N 2.81Å; R222-G226 WeakPolarHBondContact O-CA 3.26Å; R222-G226 PolarHBondContact O-N 2.92Å; G226-H342 PolarHBondContact O-CE1 2.8Å
227	Q	93.6	Very high	95.3	Very high	21 Å²	21	16.2 Å²	16.2	10%	0.098	8%	0.078	C	C	.	.			trans	-128.7	152.9	-173.4	-69	176.4	79.3	0	0	110	T221 R222 Y225 I231 P440 Y442	T221-Q227 CarbonylContact C-O 3.58Å; T221-Q227 VanDerWaalsContact C-O 3.25Å; T221-Q227 WeakPolarHBondContact CB-O 3.4Å; T221-Q227 PolarHBondContact OG1-O 3.46Å; R222-Q227 PolarHBondContact N-O 3.05Å; Y225-Q227 PolarHBondContact O-N 3.22Å; Q227-I231 HydrophobicContact CB-CG2 3.43Å; Q227-I231 VanDerWaalsContact CB-CG2 3.43Å; Q227-I231 HydrophobicContact CG-CG2 4.28Å; Q227-P440 PolarHBondContact NE2-O 3Å; Q227-Y442 VanDerWaalsContact OE1-N 3.12Å
228	S	93.4	Very high	95.3	Very high	25 Å²	25	17.9 Å²	17.9	18%	0.175	9%	0.089	C	C	.	.			trans	-78	179.7	178.2	70.7	0	0	0	0	112.3	R230 I231 D376	S228-R230 PolarHBondContact O-N 3.42Å; S228-I231 WeakPolarHBondContact O-CG2 3.33Å; S228-I231 PolarHBondContact O-N 3.42Å; S228-I231 VanDerWaalsContact O-N 3.13Å; S228-D376 WeakPolarHBondContact CB-OD2 3.4Å
229	V	96	Very high	95.4	Very high	7 Å²	7	17.8 Å²	17.8	4%	0.042	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	1.7	176.6	-60.4	0	0	0	0	114.8	L199 E200 I213 I217 A218 I231	L199-V229 WeakPolarHBondContact CB-O 3.42Å; L199-V229 HydrophobicContact CD2-CG1 4.4Å; L199-V229 PolarHBondContact N-O 3.15Å; E200-V229 HydrophobicContact CB-CB 4.22Å; E200-V229 HydrophobicContact CB-CG2 3.89Å; E200-V229 HydrophobicContact CG-CG2 4.41Å; E200-V229 PolarHBondContact N-O 3.43Å; E200-V229 VanDerWaalsContact N-O 3.15Å; I213-V229 HydrophobicContact CG2-CB 4.17Å; I213-V229 HydrophobicContact CG2-CG1 3.89Å; I213-V229 HydrophobicContact CG2-CG2 3.98Å; I217-V229 HydrophobicContact CB-CG1 4.33Å; I217-V229 HydrophobicContact CG2-CG1 3.86Å; A218-V229 HydrophobicContact CB-CG1 3.83Å; V229-I231 VanDerWaalsContact C-N 3.26Å
230	R	95.3	Very high	95.4	Very high	156 Å²	156	17.8 Å²	17.8	59%	0.589	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-3.9	171	-61.6	-174.9	179.7	-148.9	-0.3	113.8	S228 P444	S228-R230 PolarHBondContact O-N 3.42Å; R230-P444 WeakPolarHBondContact O-CD 3.49Å
231	I	95.5	Very high	95.3	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.01	9%	0.089	C	C	.	.	S	Bend	trans	-59.7	158	163.9	60.5	177.7	0	0	0	110.2	T198 L199 T221 Q227 S228 V229 V235 Y442	T198-I231 CarbonylContact C-O 3.55Å; T198-I231 VanDerWaalsContact CA-O 3.32Å; T198-I231 WeakPolarHBondContact CA-O 3.47Å; L199-I231 HydrophobicContact CB-CG1 4.29Å; L199-I231 PolarHBondContact N-O 3.02Å; T221-I231 HydrophobicContact CG2-CD1 3.73Å; Q227-I231 HydrophobicContact CB-CG2 3.43Å; Q227-I231 VanDerWaalsContact CB-CG2 3.43Å; Q227-I231 HydrophobicContact CG-CG2 4.28Å; S228-I231 WeakPolarHBondContact O-CG2 3.33Å; S228-I231 PolarHBondContact O-N 3.42Å; S228-I231 VanDerWaalsContact O-N 3.13Å; V229-I231 VanDerWaalsContact C-N 3.26Å; I231-V235 HydrophobicContact CD1-CB 4.24Å; I231-V235 HydrophobicContact CD1-CG1 3.88Å; I231-Y442 CarbonylContact C-O 3.52Å; I231-Y442 HydrophobicContact CG2-CD2 4.4Å
232	N	95.6	Very high	94.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-62.5	153.1	173.5	75.2	69.2	0	0	0	111.8	Q197 F234 V235 G236 Y442 P444	Q197-N232 VanDerWaalsContact O-CA 3.29Å; Q197-N232 WeakPolarHBondContact O-CA 3.47Å; N232-F234 VanDerWaalsContact C-N 3.27Å; N232-F234 PolarHBondContact O-N 3.09Å; N232-F234 WeakPolarHBondContact OD1-CB 3.33Å; N232-F234 PolarHBondContact OD1-N 2.93Å; N232-V235 VanDerWaalsContact ND2-CG2 3.29Å; N232-V235 WeakPolarHBondContact ND2-CG2 3.33Å; N232-V235 PolarHBondContact O-N 3.05Å; N232-V235 WeakPolarHBondContact OD1-CG2 3.21Å; N232-V235 PolarHBondContact OD1-N 3.25Å; N232-G236 PolarHBondContact O-N 3.39Å; N232-Y442 PolarHBondContact N-O 2.99Å; N232-P444 HydrophobicContact CB-CG 3.96Å
233	G	96.5	Very high	94.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.3	-28.8	-176.5	0	0	0	0	0	114.7	L194 Q197 G236 A237	L194-G233 WeakPolarHBondContact O-CA 3.46Å; L194-G233 PolarHBondContact O-N 3.02Å; Q197-G233 PolarHBondContact O-N 3.35Å; G233-G236 PolarHBondContact O-N 3.21Å; G233-A237 PolarHBondContact O-N 3.46Å
234	F	96.4	Very high	94.2	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.009	11%	0.108	C	C	.	.	H	α-helix	trans	-71.7	-44.9	179.2	-172.8	-96.3	0	0	0	111.3	L183 F191 L194 M195 N232 G236 A237 V238 A468 M473	L183-F234 HydrophobicContact CD2-CE1 3.91Å; L183-F234 HydrophobicContact CD2-CE2 4.11Å; L183-F234 HydrophobicContact CD2-CZ 3.67Å; F191-F234 HydrophobicContact CB-CD2 4.44Å; F191-F234 HydrophobicContact CD1-CD2 4.39Å; F191-F234 HydrophobicContact CD1-CE2 4.32Å; F191-F234 HydrophobicContact CD2-CD2 4.23Å; F191-F234 AromaticContact CD2-CE2 3.58Å; F191-F234 HydrophobicContact CD2-CE2 3.58Å; F191-F234 HydrophobicContact CD2-CZ 4.43Å; F191-F234 HydrophobicContact CE1-CE2 4.4Å; F191-F234 AromaticContact CE2-CE2 3.67Å; F191-F234 HydrophobicContact CE2-CE2 3.67Å; F191-F234 HydrophobicContact CE2-CZ 4.43Å; F191-F234 HydrophobicContact CG-CD2 4.11Å; F191-F234 AromaticContact CG-CE2 3.92Å; F191-F234 HydrophobicContact CG-CE2 3.92Å; F191-F234 HydrophobicContact CZ-CE2 4.09Å; L194-F234 HydrophobicContact CB-CB 4.04Å; L194-F234 PolarHBondContact O-N 3.3Å; M195-F234 HydrophobicContact CG-CB 4.19Å; M195-F234 HydrophobicContact SD-CB 3.71Å; M195-F234 HydrophobicContact SD-CD1 4.18Å; M195-F234 HydrophobicContact SD-CG 4.17Å; N232-F234 VanDerWaalsContact C-N 3.27Å; N232-F234 PolarHBondContact O-N 3.09Å; N232-F234 WeakPolarHBondContact OD1-CB 3.33Å; N232-F234 PolarHBondContact OD1-N 2.93Å; F234-G236 VanDerWaalsContact C-N 3.25Å; F234-G236 PolarHBondContact O-N 3.4Å; F234-A237 WeakPolarHBondContact O-CB 3.46Å; F234-A237 PolarHBondContact O-N 3.13Å; F234-A237 VanDerWaalsContact O-N 3.17Å; F234-V238 HydrophobicContact CD1-CG2 4.4Å; F234-V238 HydrophobicContact CE1-CG2 4.09Å; F234-V238 WeakPolarHBondContact O-CG2 3.3Å; F234-V238 PolarHBondContact O-N 3.22Å; F234-A468 HydrophobicContact CD1-CB 4.02Å; F234-A468 HydrophobicContact CE1-CB 3.97Å; F234-M473 HydrophobicContact CE1-CE 4.06Å
235	V	96.1	Very high	93.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.3	-39.1	171.2	-179	0	0	0	0	110.4	Y225 I231 N232 A237 V238 S239 Y442 A467 A468	Y225-V235 HydrophobicContact CD1-CG1 3.91Å; Y225-V235 HydrophobicContact CD2-CG1 3.86Å; Y225-V235 HydrophobicContact CE1-CG1 3.75Å; Y225-V235 HydrophobicContact CE2-CG1 3.68Å; Y225-V235 HydrophobicContact CG-CG1 3.96Å; I231-V235 HydrophobicContact CD1-CB 4.24Å; I231-V235 HydrophobicContact CD1-CG1 3.88Å; N232-V235 VanDerWaalsContact ND2-CG2 3.29Å; N232-V235 WeakPolarHBondContact ND2-CG2 3.33Å; N232-V235 PolarHBondContact O-N 3.05Å; N232-V235 WeakPolarHBondContact OD1-CG2 3.21Å; N232-V235 PolarHBondContact OD1-N 3.25Å; V235-A237 VanDerWaalsContact C-N 3.33Å; V235-A237 PolarHBondContact O-N 3.3Å; V235-V238 PolarHBondContact O-N 3.39Å; V235-S239 WeakPolarHBondContact O-CB 3.21Å; V235-S239 PolarHBondContact O-N 3.34Å; V235-Y442 HydrophobicContact CB-CD2 4.35Å; V235-Y442 HydrophobicContact CB-CG 4.39Å; V235-Y442 HydrophobicContact CG1-CD2 3.74Å; V235-Y442 HydrophobicContact CG1-CE2 3.78Å; V235-Y442 HydrophobicContact CG1-CG 4.28Å; V235-Y442 HydrophobicContact CG2-CD1 3.56Å; V235-Y442 HydrophobicContact CG2-CD2 3.94Å; V235-Y442 HydrophobicContact CG2-CE1 3.65Å; V235-Y442 HydrophobicContact CG2-CE2 4.03Å; V235-Y442 HydrophobicContact CG2-CG 3.7Å; V235-A467 WeakPolarHBondContact CG2-O 3.47Å; V235-A468 HydrophobicContact CG2-CB 4.21Å
236	G	96.8	Very high	93.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.4	-44.7	173.3	0	0	0	0	0	112.8	N232 G233 F234 S239 L240	N232-G236 PolarHBondContact O-N 3.39Å; G233-G236 PolarHBondContact O-N 3.21Å; F234-G236 VanDerWaalsContact C-N 3.25Å; F234-G236 PolarHBondContact O-N 3.4Å; G236-S239 WeakPolarHBondContact O-CB 3.48Å; G236-S239 PolarHBondContact O-N 3.05Å; G236-L240 VanDerWaalsContact O-CG 3.29Å; G236-L240 WeakPolarHBondContact O-CG 3.5Å; G236-L240 PolarHBondContact O-N 3.35Å
237	A	96.6	Very high	93.6	Very high	5 Å²	5	27.6 Å²	27.6	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-62.7	-43.5	174.5	0	0	0	0	0	112.9	W155 I159 G233 F234 V235 S239 L240 A241	W155-A237 HydrophobicContact CH2-CB 3.79Å; W155-A237 HydrophobicContact CZ3-CB 3.67Å; I159-A237 HydrophobicContact CD1-CB 3.5Å; I159-A237 VanDerWaalsContact CD1-CB 3.5Å; I159-A237 HydrophobicContact CG2-CB 4Å; G233-A237 PolarHBondContact O-N 3.46Å; F234-A237 WeakPolarHBondContact O-CB 3.46Å; F234-A237 PolarHBondContact O-N 3.13Å; F234-A237 VanDerWaalsContact O-N 3.17Å; V235-A237 VanDerWaalsContact C-N 3.33Å; V235-A237 PolarHBondContact O-N 3.3Å; A237-S239 VanDerWaalsContact C-N 3.27Å; A237-S239 PolarHBondContact O-N 3.28Å; A237-L240 PolarHBondContact O-N 3.07Å; A237-A241 PolarHBondContact O-N 3.26Å
238	V	95.9	Very high	93.7	Very high	35 Å²	35	27.6 Å²	27.6	21%	0.212	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-38.3	174.6	176.7	0	0	0	0	111.2	Y225 F234 V235 A468 A470	Y225-V238 VanDerWaalsContact OH-CG1 3.3Å; Y225-V238 WeakPolarHBondContact OH-CG1 3.31Å; F234-V238 HydrophobicContact CD1-CG2 4.4Å; F234-V238 HydrophobicContact CE1-CG2 4.09Å; F234-V238 WeakPolarHBondContact O-CG2 3.3Å; F234-V238 PolarHBondContact O-N 3.22Å; V235-V238 PolarHBondContact O-N 3.39Å; V238-A468 HydrophobicContact CB-CB 4.23Å; V238-A468 HydrophobicContact CG1-CB 4.38Å; V238-A468 HydrophobicContact CG2-CB 3.75Å; V238-A470 HydrophobicContact CG1-CB 4.24Å
239	S	96.4	Very high	93.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-42.5	175.5	-169.3	0	0	0	0	112.4	I220 T221 N224 V235 G236 A237 G242	I220-S239 WeakPolarHBondContact CG2-O 3.43Å; I220-S239 PolarHBondContact O-OG 3.03Å; T221-S239 WeakPolarHBondContact CA-OG 3.49Å; N224-S239 WeakPolarHBondContact CB-OG 3.39Å; N224-S239 PolarHBondContact ND2-O 3.01Å; V235-S239 WeakPolarHBondContact O-CB 3.21Å; V235-S239 PolarHBondContact O-N 3.34Å; G236-S239 WeakPolarHBondContact O-CB 3.48Å; G236-S239 PolarHBondContact O-N 3.05Å; A237-S239 VanDerWaalsContact C-N 3.27Å; A237-S239 PolarHBondContact O-N 3.28Å; S239-G242 PolarHBondContact O-N 3.17Å
240	L	96.2	Very high	94	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-74.3	-32.4	-178.5	-67.9	175.7	0	0	0	112.5	M152 W155 V156 M203 I217 I220 G236 A237 G242 T243	M152-L240 HydrophobicContact CG-CD1 4.27Å; M152-L240 HydrophobicContact SD-CD2 4.04Å; W155-L240 HydrophobicContact CE3-CD1 4.26Å; W155-L240 HydrophobicContact CZ3-CD1 3.89Å; V156-L240 HydrophobicContact CG2-CB 3.61Å; V156-L240 HydrophobicContact CG2-CD1 4.4Å; M203-L240 HydrophobicContact CE-CD1 4.4Å; M203-L240 HydrophobicContact SD-CD1 4.16Å; I217-L240 HydrophobicContact CD1-CD1 4.11Å; I217-L240 HydrophobicContact CD1-CD2 3.66Å; I217-L240 HydrophobicContact CG2-CD1 4.49Å; I217-L240 HydrophobicContact CG2-CD2 4.24Å; I220-L240 HydrophobicContact CB-CD2 4.15Å; I220-L240 HydrophobicContact CD1-CD2 3.74Å; I220-L240 HydrophobicContact CG2-CD2 3.89Å; G236-L240 VanDerWaalsContact O-CG 3.29Å; G236-L240 WeakPolarHBondContact O-CG 3.5Å; G236-L240 PolarHBondContact O-N 3.35Å; A237-L240 PolarHBondContact O-N 3.07Å; L240-G242 PolarHBondContact O-N 2.9Å; L240-G242 VanDerWaalsContact O-N 3.13Å; L240-T243 PolarHBondContact O-N 3.42Å; L240-T243 PolarHBondContact O-OG1 3.05Å
241	A	93.8	Very high	94.2	Very high	10 Å²	10	20.3 Å²	20.3	8%	0.083	14%	0.141	C	C	.	.	H	α-helix	trans	-59.3	-22.7	169.1	0	0	0	0	0	112.2	H93 V156 L160 A237 T243 D244	H93-A241 PolarHBondContact CD2-O 3.22Å; V156-A241 HydrophobicContact CG1-CB 3.96Å; L160-A241 HydrophobicContact CD1-CB 4.44Å; L160-A241 HydrophobicContact CD2-CB 4.37Å; A237-A241 PolarHBondContact O-N 3.26Å; A241-T243 PolarHBondContact O-N 3.03Å; A241-D244 PolarHBondContact O-N 2.92Å
242	G	88.1	Confident	94.2	Very high	22 Å²	22	20.6 Å²	20.6	23%	0.227	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	3.2	171.7	0	0	0	0	0	115.1	S239 L240 L247	S239-G242 PolarHBondContact O-N 3.17Å; L240-G242 PolarHBondContact O-N 2.9Å; L240-G242 VanDerWaalsContact O-N 3.13Å; G242-L247 WeakPolarHBondContact O-CD1 3.33Å
243	T	86.3	Confident	94.3	Very high	53 Å²	53	20.6 Å²	20.6	33%	0.325	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	7.2	173	71.5	0	0	0	0	113.4	I220 L240 A241	I220-T243 HydrophobicContact CB-CG2 4.36Å; I220-T243 HydrophobicContact CD1-CG2 3.78Å; I220-T243 HydrophobicContact CG1-CG2 3.81Å; I220-T243 HydrophobicContact CG2-CG2 3.6Å; L240-T243 PolarHBondContact O-N 3.42Å; L240-T243 PolarHBondContact O-OG1 3.05Å; A241-T243 PolarHBondContact O-N 3.03Å
244	D	86.5	Confident	94.4	Very high	20 Å²	20	20.6 Å²	20.6	11%	0.107	14%	0.144	C	C	.	.	S	Bend	trans	-72	160.5	175	-73.7	-8.6	0	0	0	111.5	H93 Q153 A241 L247	H93-D244 IonicContact NE2-OD2 3.7Å; H93-D244 PolarHBondContact NE2-OD2 3.36Å; Q153-D244 PolarHBondContact NE2-OD1 3.37Å; Q153-D244 PolarHBondContact OE1-OD1 3.33Å; A241-D244 PolarHBondContact O-N 2.92Å; D244-L247 WeakPolarHBondContact O-CG 3.48Å
245	S	85.9	Confident	94.5	Very high	113 Å²	113	23 Å²	23	79%	0.79	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	149.6	178.4	63.2	0	0	0	0	112.6
246	G	89.6	Confident	94.6	Very high	55 Å²	55	27 Å²	27	57%	0.567	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.3	14.4	172	0	0	0	0	0	114.8	P94 W248	P94-G246 VanDerWaalsContact CG-O 3.22Å; P94-G246 WeakPolarHBondContact CG-O 3.45Å; G246-W248 PolarHBondContact O-N 3.37Å
247	L	94.4	Very high	94.6	Very high	52 Å²	52	27 Å²	27	27%	0.272	17%	0.172	S	C	.	.			trans	-52.6	140.8	168.4	-53.5	177.7	0	0	0	110.1	V91 I92 H93 G242 D244	V91-L247 HydrophobicContact CB-CB 4.47Å; I92-L247 WeakPolarHBondContact O-CA 3.16Å; H93-L247 HydrophobicContact CB-CD2 4.32Å; G242-L247 WeakPolarHBondContact O-CD1 3.33Å; D244-L247 WeakPolarHBondContact O-CG 3.48Å
248	W	96.9	Very high	94.7	Very high	21 Å²	21	26.7 Å²	26.7	8%	0.08	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-137.5	165	-175.4	61	-85.8	0	0	0	111.2	I92 H93 M99 K100 I103 Q110 G246 V250	I92-W248 HydrophobicContact CB-CD2 3.92Å; I92-W248 HydrophobicContact CB-CE3 4.26Å; I92-W248 HydrophobicContact CB-CG 4.44Å; I92-W248 HydrophobicContact CB-CH2 4.27Å; I92-W248 HydrophobicContact CB-CZ2 3.93Å; I92-W248 HydrophobicContact CB-CZ3 4.42Å; I92-W248 WeakPolarHBondContact CB-O 3.42Å; I92-W248 HydrophobicContact CD1-CD2 4.44Å; I92-W248 HydrophobicContact CD1-CE3 3.91Å; I92-W248 HydrophobicContact CD1-CH2 3.64Å; I92-W248 HydrophobicContact CD1-CZ2 4.19Å; I92-W248 HydrophobicContact CD1-CZ3 3.47Å; I92-W248 VanDerWaalsContact CD1-CZ3 3.47Å; I92-W248 HydrophobicContact CG2-CD2 4.21Å; I92-W248 VanDerWaalsContact CG2-CE2 3.47Å; I92-W248 HydrophobicContact CG2-CH2 3.9Å; I92-W248 HydrophobicContact CG2-CZ2 3.32Å; I92-W248 PolarHBondContact N-O 3.01Å; I92-W248 PolarHBondContact O-N 3.27Å; I92-W248 PolarHBondContact O-NE1 3.23Å; H93-W248 PolarHBondContact O-NE1 3.11Å; M99-W248 HydrophobicContact CB-CH2 4.23Å; M99-W248 HydrophobicContact CB-CZ2 4.27Å; K100-W248 HydrophobicContact CB-CZ2 4.3Å; I103-W248 HydrophobicContact CD1-CE3 4.33Å; I103-W248 HydrophobicContact CD1-CH2 3.69Å; I103-W248 HydrophobicContact CD1-CZ3 3.58Å; I103-W248 HydrophobicContact CG1-CH2 4.04Å; I103-W248 HydrophobicContact CG1-CZ3 4.3Å; I103-W248 HydrophobicContact CG2-CH2 4.15Å; I103-W248 HydrophobicContact CG2-CZ3 4.12Å; Q110-W248 HydrophobicContact CG-CD2 4.21Å; Q110-W248 HydrophobicContact CG-CE3 3.75Å; Q110-W248 HydrophobicContact CG-CZ3 4.26Å; G246-W248 PolarHBondContact O-N 3.37Å; W248-V250 HydrophobicContact CZ3-CG2 3.9Å
249	A	97.5	Very high	94.8	Very high	10 Å²	10	28.1 Å²	28.1	8%	0.083	18%	0.181	C	C	.	.			trans	-134.9	163.1	175.7	0	0	0	0	0	110	Q110 R111	Q110-A249 WeakPolarHBondContact CA-O 3.24Å; R111-A249 HydrophobicContact CB-CB 4.3Å; R111-A249 WeakPolarHBondContact CB-O 3.48Å; R111-A249 PolarHBondContact N-O 2.62Å
250	V	98.3	Very high	94.9	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-84.6	135.4	179.9	-179.7	0	0	0	0	110.5	I92 I103 I108 W248 G252 G253 N254 K256 V257	I92-V250 HydrophobicContact CD1-CG2 3.94Å; I103-V250 HydrophobicContact CG2-CG2 3.84Å; I108-V250 HydrophobicContact CB-CG1 4.41Å; I108-V250 HydrophobicContact CG2-CG1 3.54Å; W248-V250 HydrophobicContact CZ3-CG2 3.9Å; V250-G252 PolarHBondContact O-N 3.09Å; V250-G253 PolarHBondContact O-N 3.32Å; V250-N254 WeakPolarHBondContact CG2-OD1 3.46Å; V250-N254 PolarHBondContact N-OD1 3.08Å; V250-K256 HydrophobicContact CG1-CB 4.5Å; V250-V257 HydrophobicContact CG1-CG2 4.45Å; V250-V257 HydrophobicContact CG2-CG2 3.72Å
251	D	98.3	Very high	95	Very high	25 Å²	25	28.6 Å²	28.6	13%	0.134	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	121.6	176.9	-173.6	62.2	0	0	0	112.2	P109 G253 K256 H392	P109-D251 HydrophobicContact CG-CB 3.93Å; P109-D251 WeakPolarHBondContact O-CB 3.47Å; P109-D251 PolarHBondContact O-N 3.13Å; D251-G253 VanDerWaalsContact C-N 3.34Å; D251-K256 WeakPolarHBondContact O-CD 3.43Å; D251-K256 PolarHBondContact O-NZ 2.93Å; D251-H392 VanDerWaalsContact CG-ND1 3.31Å; D251-H392 WeakPolarHBondContact OD1-CA 3.37Å; D251-H392 IonicContact OD1-CE1 3.61Å; D251-H392 IonicContact OD1-CG 3.88Å; D251-H392 IonicContact OD1-ND1 3.68Å; D251-H392 PolarHBondContact OD1-ND1 3.4Å; D251-H392 IonicContact OD2-CE1 3.65Å; D251-H392 IonicContact OD2-ND1 2.85Å; D251-H392 PolarHBondContact OD2-ND1 3.23Å
252	G	97	Very high	95.2	Very high	8 Å²	8	29 Å²	29	8%	0.082	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	15.7	-171.6	0	0	0	0	0	115	V250 K256 V391	V250-G252 PolarHBondContact O-N 3.09Å; G252-K256 VanDerWaalsContact O-CE 3.29Å; G252-K256 WeakPolarHBondContact O-CE 3.18Å; G252-V391 PolarHBondContact N-O 3.43Å
253	G	97.8	Very high	95.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.			trans	107.7	144.4	164.2	0	0	0	0	0	114.1	E86 V250 D251 K255 K256	E86-G253 WeakPolarHBondContact OE1-CA 3.39Å; V250-G253 PolarHBondContact O-N 3.32Å; D251-G253 VanDerWaalsContact C-N 3.34Å; G253-K255 PolarHBondContact O-N 3.35Å; G253-K255 VanDerWaalsContact O-N 3.13Å; G253-K256 WeakPolarHBondContact O-CB 3.45Å; G253-K256 PolarHBondContact O-N 2.8Å
254	N	98.1	Very high	96.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.7	-175.8	-67	-24.5	0	0	0	112.1	L75 E86 G89 A90 V250 K256 V257 M471	L75-N254 HydrophobicContact CD1-CB 4.32Å; L75-N254 HydrophobicContact CD2-CB 4.43Å; E86-N254 PolarHBondContact OE1-N 3.15Å; G89-N254 PolarHBondContact O-ND2 2.91Å; A90-N254 WeakPolarHBondContact CA-ND2 3.33Å; A90-N254 PolarHBondContact O-ND2 3.09Å; V250-N254 WeakPolarHBondContact CG2-OD1 3.46Å; V250-N254 PolarHBondContact N-OD1 3.08Å; N254-K256 PolarHBondContact O-N 3.33Å; N254-K256 VanDerWaalsContact O-N 3.15Å; N254-V257 PolarHBondContact O-N 3.37Å; N254-M471 HydrophobicContact CB-SD 4.3Å
255	K	97.2	Very high	96.8	Very high	53 Å²	53	36.2 Å²	36.2	23%	0.23	20%	0.203	C	C	.	.	H	α-helix	trans	-56	-28.1	173.9	74.1	-179.5	178.7	-174.9	0	113.4	L75 T77 E84 G253 V257 C258	L75-K255 HydrophobicContact CB-CB 4.22Å; L75-K255 WeakPolarHBondContact O-CB 3.46Å; T77-K255 HydrophobicContact CG2-CD 4.28Å; T77-K255 VanDerWaalsContact OG1-CE 3.3Å; T77-K255 WeakPolarHBondContact OG1-CE 3.35Å; T77-K255 PolarHBondContact OG1-NZ 2.88Å; E84-K255 IonicContact OE1-NZ 3.99Å; E84-K255 IonicContact OE2-NZ 2.69Å; E84-K255 PolarHBondContact OE2-NZ 2.8Å; G253-K255 PolarHBondContact O-N 3.35Å; G253-K255 VanDerWaalsContact O-N 3.13Å; K255-V257 PolarHBondContact O-N 3.42Å; K255-C258 WeakPolarHBondContact O-CB 3.4Å; K255-C258 PolarHBondContact O-N 3.42Å; K255-C258 VanDerWaalsContact O-N 3.12Å
256	K	98.1	Very high	97.3	Very high	82 Å²	82	38.8 Å²	38.8	36%	0.357	20%	0.2	S	C	.	.	H	α-helix	trans	-63.5	-26.9	-179.6	-72.5	-173.9	175.1	177	0	113.1	I108 V250 D251 G252 G253 N254 C258 S259 G260	I108-K256 HydrophobicContact CD1-CB 3.89Å; I108-K256 HydrophobicContact CD1-CD 4.36Å; V250-K256 HydrophobicContact CG1-CB 4.5Å; D251-K256 WeakPolarHBondContact O-CD 3.43Å; D251-K256 PolarHBondContact O-NZ 2.93Å; G252-K256 VanDerWaalsContact O-CE 3.29Å; G252-K256 WeakPolarHBondContact O-CE 3.18Å; G253-K256 WeakPolarHBondContact O-CB 3.45Å; G253-K256 PolarHBondContact O-N 2.8Å; N254-K256 PolarHBondContact O-N 3.33Å; N254-K256 VanDerWaalsContact O-N 3.15Å; K256-C258 VanDerWaalsContact C-N 3.3Å; K256-C258 PolarHBondContact O-N 2.97Å; K256-S259 PolarHBondContact O-N 3.33Å; K256-G260 PolarHBondContact O-N 3.48Å
257	V	98.5	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60	-44.5	174.9	-178.1	0	0	0	0	110	I44 M99 F102 I103 I106 V250 N254 K255 S259 G260 L261	I44-V257 HydrophobicContact CD1-CB 4.3Å; I44-V257 HydrophobicContact CD1-CG1 3.75Å; M99-V257 HydrophobicContact CE-CB 4.29Å; M99-V257 HydrophobicContact CE-CG1 4.15Å; M99-V257 HydrophobicContact CE-CG2 3.92Å; M99-V257 HydrophobicContact SD-CG1 4.31Å; F102-V257 HydrophobicContact CB-CG1 3.96Å; F102-V257 HydrophobicContact CD2-CG1 3.97Å; F102-V257 HydrophobicContact CG-CG1 4.41Å; I103-V257 HydrophobicContact CG2-CG2 4.04Å; I106-V257 HydrophobicContact CD1-CG1 4.26Å; V250-V257 HydrophobicContact CG1-CG2 4.45Å; V250-V257 HydrophobicContact CG2-CG2 3.72Å; N254-V257 PolarHBondContact O-N 3.37Å; K255-V257 PolarHBondContact O-N 3.42Å; V257-S259 PolarHBondContact O-N 3.3Å; V257-G260 PolarHBondContact O-N 2.89Å; V257-L261 HydrophobicContact CG1-CD1 3.9Å; V257-L261 HydrophobicContact CG1-CG 4.28Å; V257-L261 VanDerWaalsContact O-CG 3.26Å; V257-L261 WeakPolarHBondContact O-CG 3.39Å; V257-L261 PolarHBondContact O-N 2.73Å
258	C	98.6	Very high	97.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61	-46.9	179.4	-58.6	0	0	0	0	112	I44 T47 V71 K255 K256 L261 L262	I44-C258 VanDerWaalsContact CA-SG 3.51Å; I44-C258 PolarHBondContact N-SG 3.2Å; T47-C258 HydrophobicContact CG2-CB 3.94Å; T47-C258 WeakPolarHBondContact OG1-CA 3.47Å; V71-C258 HydrophobicContact CG1-CB 3.79Å; K255-C258 WeakPolarHBondContact O-CB 3.4Å; K255-C258 PolarHBondContact O-N 3.42Å; K255-C258 VanDerWaalsContact O-N 3.12Å; K256-C258 VanDerWaalsContact C-N 3.3Å; K256-C258 PolarHBondContact O-N 2.97Å; C258-L261 PolarHBondContact O-N 2.91Å; C258-L262 PolarHBondContact O-N 3.19Å
259	S	97.9	Very high	98	Very high	64 Å²	64	40.7 Å²	40.7	45%	0.448	20%	0.2	S	C	.	.	H	α-helix	trans	-64.4	-40.1	177.2	-56.6	0	0	0	0	112.3	K256 V257 L262 Y263	K256-S259 PolarHBondContact O-N 3.33Å; V257-S259 PolarHBondContact O-N 3.3Å; S259-L262 PolarHBondContact O-N 3.5Å; S259-Y263 PolarHBondContact O-N 3.46Å; S259-Y263 VanDerWaalsContact O-N 3.08Å
260	G	98.3	Very high	98	Very high	10 Å²	10	42.2 Å²	42.2	10%	0.103	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-44.1	175	0	0	0	0	0	112.4	K256 V257 L262 Y263 H264	K256-G260 PolarHBondContact O-N 3.48Å; V257-G260 PolarHBondContact O-N 2.89Å; G260-L262 PolarHBondContact O-N 3.08Å; G260-Y263 WeakPolarHBondContact O-CB 3.36Å; G260-Y263 PolarHBondContact O-N 3.07Å; G260-H264 PolarHBondContact O-CD2 3.13Å; G260-H264 PolarHBondContact O-N 3.46Å
261	L	98.8	Very high	98	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-39.3	177.4	-68.9	171.8	0	0	0	112.5	I44 A48 Y51 F102 I106 V257 C258 Y263 H264 S265	I44-L261 HydrophobicContact CD1-CD1 4.03Å; A48-L261 HydrophobicContact CB-CD1 4.18Å; Y51-L261 HydrophobicContact CD1-CD2 4.4Å; Y51-L261 HydrophobicContact CD2-CD2 3.77Å; Y51-L261 HydrophobicContact CE2-CD2 4.43Å; Y51-L261 HydrophobicContact CG-CD2 3.77Å; F102-L261 HydrophobicContact CB-CD2 4.36Å; F102-L261 HydrophobicContact CD1-CD2 3.65Å; F102-L261 HydrophobicContact CD2-CD1 3.77Å; F102-L261 HydrophobicContact CD2-CD2 4.08Å; F102-L261 HydrophobicContact CD2-CG 4.4Å; F102-L261 HydrophobicContact CE1-CD2 3.79Å; F102-L261 HydrophobicContact CE2-CD1 3.68Å; F102-L261 HydrophobicContact CE2-CD2 4.18Å; F102-L261 HydrophobicContact CG-CD1 4.31Å; F102-L261 HydrophobicContact CG-CD2 3.79Å; F102-L261 HydrophobicContact CG-CG 4.47Å; F102-L261 HydrophobicContact CZ-CD1 4.18Å; F102-L261 HydrophobicContact CZ-CD2 4.04Å; I106-L261 HydrophobicContact CD1-CG 4.45Å; V257-L261 HydrophobicContact CG1-CD1 3.9Å; V257-L261 HydrophobicContact CG1-CG 4.28Å; V257-L261 VanDerWaalsContact O-CG 3.26Å; V257-L261 WeakPolarHBondContact O-CG 3.39Å; V257-L261 PolarHBondContact O-N 2.73Å; C258-L261 PolarHBondContact O-N 2.91Å; L261-Y263 VanDerWaalsContact C-N 3.34Å; L261-Y263 PolarHBondContact O-N 3.43Å; L261-H264 PolarHBondContact O-N 3.1Å; L261-S265 WeakPolarHBondContact O-CB 3.42Å; L261-S265 PolarHBondContact O-N 3.02Å; L261-S265 PolarHBondContact O-OG 3.44Å
262	L	98.2	Very high	98	Very high	17 Å²	17	45.1 Å²	45.1	9%	0.089	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-43.4	172.3	-75.2	174.8	0	0	0	112	A42 T47 V65 V71 C258 S259 G260 S265 K266 L269	A42-L262 HydrophobicContact CB-CD1 4.45Å; T47-L262 HydrophobicContact CG2-CD1 3.9Å; T47-L262 HydrophobicContact CG2-CD2 3.88Å; T47-L262 HydrophobicContact CG2-CG 3.56Å; V65-L262 HydrophobicContact CB-CD2 4.02Å; V65-L262 HydrophobicContact CG1-CD2 4.14Å; V65-L262 HydrophobicContact CG2-CD2 3.72Å; V71-L262 HydrophobicContact CB-CD1 4.44Å; V71-L262 HydrophobicContact CG1-CD1 3.68Å; V71-L262 HydrophobicContact CG2-CD1 3.83Å; C258-L262 PolarHBondContact O-N 3.19Å; S259-L262 PolarHBondContact O-N 3.5Å; G260-L262 PolarHBondContact O-N 3.08Å; L262-S265 WeakPolarHBondContact CA-OG 3.47Å; L262-S265 PolarHBondContact O-OG 2.95Å; L262-K266 PolarHBondContact O-N 3.43Å; L262-L269 HydrophobicContact CD1-CD1 4.24Å
263	Y	98	Very high	98	Very high	182 Å²	182	50.1 Å²	50.1	71%	0.714	25%	0.246	S	C	*	.	H	α-helix	trans	-62.1	-49.6	176.7	177.3	-96.8	0	0	0	111.9	S259 G260 L261 S265 K266	S259-Y263 PolarHBondContact O-N 3.46Å; S259-Y263 VanDerWaalsContact O-N 3.08Å; G260-Y263 WeakPolarHBondContact O-CB 3.36Å; G260-Y263 PolarHBondContact O-N 3.07Å; L261-Y263 VanDerWaalsContact C-N 3.34Å; L261-Y263 PolarHBondContact O-N 3.43Å; Y263-S265 PolarHBondContact O-N 3.21Å; Y263-K266 PolarHBondContact O-N 3.3Å
264	H	97.6	Very high	98	Very high	66 Å²	66	50.5 Å²	50.5	31%	0.306	25%	0.249	S	C	.	.	H	α-helix	trans	-69.9	-31.3	-178	-80.4	-80.4	0	0	0	113.7	Y51 G260 L261 K266	Y51-H264 HydrophobicContact CD2-CB 4.2Å; Y51-H264 HydrophobicContact CE2-CB 4.18Å; G260-H264 PolarHBondContact O-CD2 3.13Å; G260-H264 PolarHBondContact O-N 3.46Å; L261-H264 PolarHBondContact O-N 3.1Å; H264-K266 PolarHBondContact O-N 3.04Å
265	S	97.5	Very high	98	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-72.9	-14.9	174.8	58	0	0	0	0	113.3	R54 L261 L262 Y263 S267	R54-S265 PolarHBondContact NE-O 3.32Å; L261-S265 WeakPolarHBondContact O-CB 3.42Å; L261-S265 PolarHBondContact O-N 3.02Å; L261-S265 PolarHBondContact O-OG 3.44Å; L262-S265 WeakPolarHBondContact CA-OG 3.47Å; L262-S265 PolarHBondContact O-OG 2.95Å; Y263-S265 PolarHBondContact O-N 3.21Å; S265-S267 PolarHBondContact O-N 2.76Å; S265-S267 PolarHBondContact OG-OG 3.44Å
266	K	97.7	Very high	98	Very high	167 Å²	167	51.2 Å²	51.2	73%	0.726	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	45.4	-173.3	-54.7	-179.2	-177.5	-179.3	0	110.8	R54 L262 Y263 H264	R54-K266 PolarHBondContact NH2-O 2.7Å; L262-K266 PolarHBondContact O-N 3.43Å; Y263-K266 PolarHBondContact O-N 3.3Å; H264-K266 PolarHBondContact O-N 3.04Å
267	S	97.8	Very high	98	Very high	17 Å²	17	47.3 Å²	47.3	12%	0.119	24%	0.244	C	C	.	.			trans	-91.7	145.8	178.4	-69.2	0	0	0	0	111	I63 S265 L269	I63-S267 WeakPolarHBondContact CB-OG 3.24Å; I63-S267 VanDerWaalsContact CG2-OG 3.29Å; I63-S267 WeakPolarHBondContact CG2-OG 3.35Å; I63-S267 CarbonylContact O-C 3.59Å; I63-S267 WeakPolarHBondContact O-CA 3.46Å; I63-S267 WeakPolarHBondContact O-CB 3.45Å; S265-S267 PolarHBondContact O-N 2.76Å; S265-S267 PolarHBondContact OG-OG 3.44Å; S267-L269 PolarHBondContact O-N 3.38Å
268	D	98.1	Very high	98	Very high	71 Å²	71	47.8 Å²	47.8	38%	0.38	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	112.6	175.1	-68.9	-23.5	0	0	0	108.7	K62 I63 D64 V65 I270	K62-D268 WeakPolarHBondContact CE-OD2 3.38Å; K62-D268 IonicContact NZ-OD2 3.39Å; K62-D268 PolarHBondContact NZ-OD2 2.96Å; I63-D268 PolarHBondContact O-N 3.14Å; D64-D268 CarbonylContact C-O 3.12Å; D64-D268 WeakPolarHBondContact CA-O 3.44Å; V65-D268 PolarHBondContact N-O 3.48Å; D268-I270 HydrophobicContact CB-CD1 4.27Å; D268-I270 PolarHBondContact O-N 3.12Å
269	L	98.4	Very high	97.9	Very high	80 Å²	80	50 Å²	50	42%	0.419	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	119.9	172.5	-178	66.5	0	0	0	109.3	A42 V65 E67 V71 L262 S267	A42-L269 HydrophobicContact CB-CD1 4.2Å; V65-L269 HydrophobicContact CG1-CD1 4.49Å; E67-L269 HydrophobicContact CB-CD1 3.99Å; V71-L269 HydrophobicContact CG2-CD1 4.14Å; V71-L269 HydrophobicContact CG2-CD2 3.67Å; L262-L269 HydrophobicContact CD1-CD1 4.24Å; S267-L269 PolarHBondContact O-N 3.38Å
270	I	98.3	Very high	97.7	Very high	42 Å²	42	50.5 Å²	50.5	22%	0.215	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	109.8	178	-49.8	-58.3	0	0	0	108.4	D64 V65 F66 E67 D268 A272 Y297	D64-I270 HydrophobicContact CB-CG1 4.05Å; V65-I270 PolarHBondContact O-N 3.29Å; F66-I270 WeakPolarHBondContact CA-O 3.35Å; F66-I270 HydrophobicContact CD1-CB 3.85Å; F66-I270 HydrophobicContact CD1-CG2 3.82Å; F66-I270 HydrophobicContact CE1-CB 3.95Å; F66-I270 HydrophobicContact CE1-CG1 4.29Å; F66-I270 HydrophobicContact CE1-CG2 3.65Å; F66-I270 HydrophobicContact CG-CB 4.37Å; F66-I270 HydrophobicContact CZ-CG1 4.42Å; E67-I270 PolarHBondContact N-O 2.8Å; D268-I270 HydrophobicContact CB-CD1 4.27Å; D268-I270 PolarHBondContact O-N 3.12Å; I270-A272 HydrophobicContact CG2-CB 4.03Å; I270-A272 PolarHBondContact O-N 3.45Å; I270-Y297 HydrophobicContact CG2-CE2 4.34Å
271	P	97.6	Very high	97.4	Very high	83 Å²	83	53.8 Å²	53.8	54%	0.539	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	74.3	-179.1	30.7	-34.7	0	0	0	110.9	E67	E67-P271 CarbonylContact O-C 3.58Å; E67-P271 WeakPolarHBondContact O-CA 3.46Å
272	A	97.8	Very high	96.9	Very high	4 Å²	4	58.2 Å²	58.2	3%	0.033	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	148.9	-174.1	0	0	0	0	0	113.6	F66 E67 I270 Y297 V298	F66-A272 HydrophobicContact CD1-CB 4.26Å; E67-A272 CarbonylContact C-O 3.51Å; E67-A272 PolarHBondContact O-N 3.09Å; I270-A272 HydrophobicContact CG2-CB 4.03Å; I270-A272 PolarHBondContact O-N 3.45Å; A272-Y297 HydrophobicContact CB-CD2 3.58Å; A272-Y297 HydrophobicContact CB-CE2 4.37Å; A272-Y297 HydrophobicContact CB-CG 4.27Å; A272-V298 WeakPolarHBondContact CA-O 3.22Å; A272-V298 WeakPolarHBondContact CB-O 3.36Å
273	K	97.7	Very high	96.1	Very high	112 Å²	112	63 Å²	63	49%	0.487	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.8	174.3	-173.4	174.7	178.4	178.9	0	110.1	Y297 V298	K273-Y297 CarbonylContact O-C 3.52Å; K273-Y297 WeakPolarHBondContact O-CA 3.36Å; K273-Y297 WeakPolarHBondContact O-CB 3.35Å; K273-V298 PolarHBondContact N-O 3.08Å; K273-V298 PolarHBondContact O-N 3.09Å
274	V	98.3	Very high	95.3	Very high	9 Å²	9	55.6 Å²	55.6	6%	0.055	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.4	172.4	-178	0	0	0	0	109.9	I40 F66 I277 L295 N296	I40-V274 HydrophobicContact CD1-CB 4.19Å; I40-V274 HydrophobicContact CD1-CG1 3.94Å; I40-V274 HydrophobicContact CD1-CG2 4.05Å; I40-V274 HydrophobicContact CG1-CG2 4.07Å; I40-V274 HydrophobicContact CG2-CB 4.07Å; I40-V274 HydrophobicContact CG2-CG2 3.91Å; F66-V274 HydrophobicContact CB-CG2 3.83Å; F66-V274 HydrophobicContact CD1-CG2 3.92Å; F66-V274 HydrophobicContact CD2-CG2 4.32Å; F66-V274 HydrophobicContact CG-CG2 3.76Å; V274-I277 HydrophobicContact CG1-CG1 4.36Å; V274-L295 HydrophobicContact CG1-CG 4.27Å; V274-L295 HydrophobicContact CG2-CD2 4.43Å; V274-N296 WeakPolarHBondContact CG1-O 3.37Å
275	S	97.3	Very high	94	Very high	50 Å²	50	62.7 Å²	62.7	35%	0.35	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-29.3	-178.2	59.8	0	0	0	0	113.2	N296 T325	S275-N296 PolarHBondContact N-O 3.4Å; S275-N296 PolarHBondContact OG-O 2.9Å; S275-T325 PolarHBondContact O-N 2.93Å; S275-T325 PolarHBondContact O-OG1 3.17Å
276	S	98.2	Very high	92.7	Very high	18 Å²	18	69 Å²	69	13%	0.126	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	153.4	175.8	75.3	0	0	0	0	113.7	L295 N296 T325	S276-L295 WeakPolarHBondContact O-CA 3.39Å; S276-N296 PolarHBondContact N-O 2.79Å; S276-N296 PolarHBondContact O-N 3.02Å; S276-N296 WeakPolarHBondContact OG-CB 3.42Å; S276-N296 PolarHBondContact OG-ND2 3.16Å; S276-T325 CarbonylContact C-O 3.55Å; S276-T325 WeakPolarHBondContact CA-O 3.47Å; S276-T325 WeakPolarHBondContact CB-O 3.39Å; S276-T325 WeakPolarHBondContact CB-OG1 3.36Å
277	I	98.6	Very high	91.2	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.1	173.5	-59.7	169	0	0	0	107.4	I40 V274 Y293 L295 V311 I313 I324 T325 F326 S327 F329 L458	I40-I277 HydrophobicContact CD1-CD1 3.71Å; I40-I277 HydrophobicContact CD1-CG1 4.34Å; V274-I277 HydrophobicContact CG1-CG1 4.36Å; I277-Y293 HydrophobicContact CG2-CD1 4.05Å; I277-L295 HydrophobicContact CG1-CD1 4.08Å; I277-L295 HydrophobicContact CG1-CG 4.18Å; I277-L295 HydrophobicContact CG2-CD1 4.14Å; I277-V311 HydrophobicContact CD1-CG1 4.17Å; I277-I313 HydrophobicContact CD1-CD1 3.72Å; I277-I313 HydrophobicContact CD1-CG1 4.15Å; I277-I324 HydrophobicContact CD1-CG2 3.81Å; I277-I324 HydrophobicContact CG1-CG2 3.87Å; I277-T325 PolarHBondContact N-O 2.78Å; I277-F326 HydrophobicContact CB-CD1 4.12Å; I277-F326 HydrophobicContact CB-CE1 4.24Å; I277-F326 HydrophobicContact CD1-CE1 3.81Å; I277-F326 HydrophobicContact CD1-CZ 4.4Å; I277-F326 WeakPolarHBondContact O-CA 3.46Å; I277-S327 PolarHBondContact O-N 2.85Å; I277-F329 HydrophobicContact CG2-CZ 4.28Å; I277-L458 HydrophobicContact CD1-CD1 4.39Å; I277-L458 HydrophobicContact CG2-CD1 4.5Å
278	S	98	Very high	90.1	Very high	9 Å²	9	67 Å²	67	6%	0.063	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.3	-179.3	-55.6	0	0	0	0	110.6	Y293 E294 S327	S278-Y293 WeakPolarHBondContact O-CA 3.41Å; S278-E294 PolarHBondContact N-O 3.34Å; S278-E294 PolarHBondContact O-N 2.71Å; S278-S327 WeakPolarHBondContact CA-O 3.22Å; S278-S327 VanDerWaalsContact CB-OG 3.24Å; S278-S327 WeakPolarHBondContact CB-OG 3.38Å; S278-S327 PolarHBondContact OG-OG 2.93Å
279	M	96.3	Very high	89.4	Confident	48 Å²	48	68.3 Å²	68.3	24%	0.236	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	131.5	173.7	-170.3	-173	80.3	0	0	110	T281 P291 Y293 S327 G328 F329 H455	M279-T281 HydrophobicContact CE-CG2 4.4Å; M279-P291 HydrophobicContact CG-CB 4.38Å; M279-Y293 HydrophobicContact CB-CE1 4.45Å; M279-Y293 HydrophobicContact CG-CE1 4.36Å; M279-S327 PolarHBondContact N-O 3.48Å; M279-G328 WeakPolarHBondContact CE-O 3.36Å; M279-F329 HydrophobicContact CB-CD1 4.23Å; M279-F329 HydrophobicContact CB-CE1 3.93Å; M279-F329 HydrophobicContact CB-CE2 4.34Å; M279-F329 HydrophobicContact CB-CZ 3.98Å; M279-F329 HydrophobicContact SD-CD1 4.46Å; M279-H455 PolarHBondContact SD-CE1 3.34Å
280	K	94.1	Very high	88.8	Confident	73 Å²	73	66.2 Å²	66.2	32%	0.317	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	162.2	171	-53.1	-67.7	-176.4	175.9	0	109	P291 Y292 E294	K280-P291 WeakPolarHBondContact O-CA 3.2Å; K280-Y292 HydrophobicContact CB-CD1 3.86Å; K280-Y292 HydrophobicContact CB-CD2 3.95Å; K280-Y292 HydrophobicContact CB-CE1 3.4Å; K280-Y292 HydrophobicContact CB-CE2 3.49Å; K280-Y292 VanDerWaalsContact CB-CE2 3.49Å; K280-Y292 HydrophobicContact CB-CG 4.12Å; K280-Y292 HydrophobicContact CG-CD2 4.44Å; K280-Y292 HydrophobicContact CG-CE2 3.84Å; K280-Y292 PolarHBondContact N-O 3.47Å; K280-Y292 PolarHBondContact O-N 3.41Å; K280-Y292 VanDerWaalsContact O-O 3.07Å; K280-E294 VanDerWaalsContact CE-CD 3.43Å; K280-E294 WeakPolarHBondContact CE-OE2 3.37Å; K280-E294 HydrophobicContact CG-CB 4.22Å; K280-E294 IonicContact NZ-OE1 3.83Å; K280-E294 IonicContact NZ-OE2 2.83Å; K280-E294 PolarHBondContact NZ-OE2 3.48Å
281	T	91.5	Very high	88.3	Confident	80 Å²	80	65 Å²	65	49%	0.491	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.6	178	55.6	0	0	0	0	110.5	M279 I290	M279-T281 HydrophobicContact CE-CG2 4.4Å; T281-I290 WeakPolarHBondContact CA-O 3.29Å
282	R	87.6	Confident	88.2	Confident	94 Å²	94	63.5 Å²	63.5	36%	0.355	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.1	172.2	65.9	-177.4	-177	-146	-4.4	110.9	T289 I290 Y292 D309	R282-T289 WeakPolarHBondContact O-CA 3.11Å; R282-I290 HydrophobicContact CG-CB 4.29Å; R282-I290 PolarHBondContact N-O 2.89Å; R282-I290 PolarHBondContact O-N 2.95Å; R282-Y292 HydrophobicContact CB-CD1 4.1Å; R282-Y292 HydrophobicContact CB-CE1 3.9Å; R282-Y292 HydrophobicContact CG-CD1 4.08Å; R282-Y292 HydrophobicContact CG-CE1 4.38Å; R282-D309 IonicContact CZ-OD1 3.29Å; R282-D309 IonicContact NH1-OD1 3.49Å; R282-D309 PolarHBondContact NH1-OD1 3.28Å; R282-D309 VanDerWaalsContact NH1-OD1 3.16Å; R282-D309 IonicContact NH2-OD1 2.89Å; R282-D309 PolarHBondContact NH2-OD1 2.81Å
283	P	82.9	Confident	88.2	Confident	118 Å²	118	63.3 Å²	63.3	77%	0.766	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	137	173.7	-18.1	30.4	0	0	0	111.2
284	S	79.8	Confident	88.2	Confident	27 Å²	27	59.8 Å²	59.8	19%	0.189	33%	0.329	C	S	.	.			trans	-91.7	149.8	167.9	-174.7	0	0	0	0	110.7	R286 G287 S288	S284-R286 PolarHBondContact O-N 2.95Å; S284-R286 VanDerWaalsContact O-N 3.12Å; S284-R286 PolarHBondContact OG-N 2.96Å; S284-G287 PolarHBondContact O-N 3.41Å; S284-S288 WeakPolarHBondContact CA-O 3.49Å; S284-S288 WeakPolarHBondContact CB-O 3.3Å; S284-S288 PolarHBondContact N-O 3.12Å
285	K	71.1	Confident	88.2	Confident	214 Å²	214	59.4 Å²	59.4	93%	0.93	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.7	167.2	-66.8	-177.6	-179.9	175.3	0	112.5	G287	K285-G287 VanDerWaalsContact C-N 3.34Å
286	R	70.1	Confident	88.3	Confident	133 Å²	133	59.1 Å²	59.1	50%	0.502	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	8.9	176.5	-62.8	-174.3	-177.2	167	2.8	114	E29 S284 S288	E29-R286 IonicContact OE2-CZ 3.91Å; E29-R286 IonicContact OE2-NE 2.77Å; E29-R286 IonicContact OE2-NH2 3.65Å; E29-R286 PolarHBondContact OE2-NH2 2.86Å; S284-R286 PolarHBondContact O-N 2.95Å; S284-R286 VanDerWaalsContact O-N 3.12Å; S284-R286 PolarHBondContact OG-N 2.96Å; R286-S288 VanDerWaalsContact C-N 3.26Å; R286-S288 PolarHBondContact O-N 2.91Å
287	G	65.2	Low	88.3	Confident	77 Å²	77	59.9 Å²	59.9	79%	0.794	32%	0.321	S	S	*	.	S	Bend	trans	80.1	-8.7	177.5	0	0	0	0	0	115.8	S284 K285	S284-G287 PolarHBondContact O-N 3.41Å; K285-G287 VanDerWaalsContact C-N 3.34Å
288	S	76.1	Confident	88.2	Confident	66 Å²	66	63.1 Å²	63.1	46%	0.462	34%	0.341	S	S	.	.	S	Bend	trans	-84.4	156.1	172.2	56.7	0	0	0	0	112.4	S284 R286	S284-S288 WeakPolarHBondContact CA-O 3.49Å; S284-S288 WeakPolarHBondContact CB-O 3.3Å; S284-S288 PolarHBondContact N-O 3.12Å; R286-S288 VanDerWaalsContact C-N 3.26Å; R286-S288 PolarHBondContact O-N 2.91Å
289	T	82.4	Confident	88.1	Confident	98 Å²	98	63.8 Å²	63.8	60%	0.601	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.8	169.2	46.1	0	0	0	0	110.1	R282	R282-T289 WeakPolarHBondContact O-CA 3.11Å
290	I	85.6	Confident	87.8	Confident	36 Å²	36	70.3 Å²	70.3	19%	0.185	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.4	178	-63.8	168	0	0	0	108.5	T281 R282	T281-I290 WeakPolarHBondContact CA-O 3.29Å; R282-I290 HydrophobicContact CG-CB 4.29Å; R282-I290 PolarHBondContact N-O 2.89Å; R282-I290 PolarHBondContact O-N 2.95Å
291	P	89.3	Confident	87.7	Confident	16 Å²	16	73.2 Å²	73.2	10%	0.104	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	142.8	174.7	29.7	-33.6	0	0	0	110.9	M279 K280 N456	M279-P291 HydrophobicContact CG-CB 4.38Å; K280-P291 WeakPolarHBondContact O-CA 3.2Å; P291-N456 HydrophobicContact CG-CB 4.45Å
292	Y	94.3	Very high	87.9	Confident	51 Å²	51	70.9 Å²	70.9	20%	0.2	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	166.9	166	71.1	-82.6	0	0	0	108.9	K280 R282 L307	K280-Y292 HydrophobicContact CB-CD1 3.86Å; K280-Y292 HydrophobicContact CB-CD2 3.95Å; K280-Y292 HydrophobicContact CB-CE1 3.4Å; K280-Y292 HydrophobicContact CB-CE2 3.49Å; K280-Y292 VanDerWaalsContact CB-CE2 3.49Å; K280-Y292 HydrophobicContact CB-CG 4.12Å; K280-Y292 HydrophobicContact CG-CD2 4.44Å; K280-Y292 HydrophobicContact CG-CE2 3.84Å; K280-Y292 PolarHBondContact N-O 3.47Å; K280-Y292 PolarHBondContact O-N 3.41Å; K280-Y292 VanDerWaalsContact O-O 3.07Å; R282-Y292 HydrophobicContact CB-CD1 4.1Å; R282-Y292 HydrophobicContact CB-CE1 3.9Å; R282-Y292 HydrophobicContact CG-CD1 4.08Å; R282-Y292 HydrophobicContact CG-CE1 4.38Å; Y292-L307 HydrophobicContact CD2-CB 4.34Å; Y292-L307 HydrophobicContact CD2-CD1 4.41Å; Y292-L307 HydrophobicContact CD2-CD2 4.12Å; Y292-L307 HydrophobicContact CE2-CD1 3.81Å; Y292-L307 HydrophobicContact CE2-CD2 3.73Å; Y292-L307 HydrophobicContact CE2-CG 4.21Å
293	Y	97.9	Very high	88.3	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.3	-169.1	-60.6	-74.7	0	0	0	112.1	I277 S278 M279 L307 Y308 V311 F329 H455 N456 R457 L458	I277-Y293 HydrophobicContact CG2-CD1 4.05Å; S278-Y293 WeakPolarHBondContact O-CA 3.41Å; M279-Y293 HydrophobicContact CB-CE1 4.45Å; M279-Y293 HydrophobicContact CG-CE1 4.36Å; Y293-L307 CarbonylContact O-C 3.49Å; Y293-L307 VanDerWaalsContact O-CA 3.25Å; Y293-L307 WeakPolarHBondContact O-CA 3.31Å; Y293-Y308 PolarHBondContact N-O 2.64Å; Y293-Y308 PolarHBondContact O-N 2.81Å; Y293-V311 HydrophobicContact CD2-CB 4.46Å; Y293-V311 HydrophobicContact CD2-CG2 3.74Å; Y293-V311 HydrophobicContact CG-CG2 3.76Å; Y293-F329 HydrophobicContact CD1-CZ 4.26Å; Y293-F329 AromaticContact CE1-CE1 3.84Å; Y293-F329 HydrophobicContact CE1-CE1 3.84Å; Y293-F329 AromaticContact CE1-CZ 3.94Å; Y293-F329 HydrophobicContact CE1-CZ 3.94Å; Y293-H455 AromaticContact CZ-ND1 3.94Å; Y293-H455 PolarHBondContact OH-ND1 2.74Å; Y293-N456 PolarHBondContact OH-O 2.98Å; Y293-R457 HydrophobicContact CE2-CB 4.02Å; Y293-R457 WeakPolarHBondContact CE2-O 3.46Å; Y293-L458 HydrophobicContact CE1-CB 4.12Å; Y293-L458 HydrophobicContact CE1-CD2 4.34Å; Y293-L458 HydrophobicContact CE2-CB 4.27Å
294	E	98.3	Very high	89	Confident	39 Å²	39	67.8 Å²	67.8	18%	0.182	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.5	167.7	178.3	176.3	-96.7	0	0	108.7	S278 K280 H305 L307	S278-E294 PolarHBondContact N-O 3.34Å; S278-E294 PolarHBondContact O-N 2.71Å; K280-E294 VanDerWaalsContact CE-CD 3.43Å; K280-E294 WeakPolarHBondContact CE-OE2 3.37Å; K280-E294 HydrophobicContact CG-CB 4.22Å; K280-E294 IonicContact NZ-OE1 3.83Å; K280-E294 IonicContact NZ-OE2 2.83Å; K280-E294 PolarHBondContact NZ-OE2 3.48Å; E294-H305 HydrophobicContact CG-CB 4.49Å; E294-L307 HydrophobicContact CB-CD2 3.68Å; E294-L307 HydrophobicContact CG-CD2 4.03Å
295	L	98.4	Very high	89.9	Confident	0 Å²	0	72 Å²	72	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.6	173.3	-91	58.8	0	0	0	108.5	A38 I40 F66 V274 S276 I277 H305 S306 Y308 V311	A38-L295 HydrophobicContact CB-CD2 3.55Å; I40-L295 HydrophobicContact CD1-CD2 3.99Å; I40-L295 HydrophobicContact CG1-CD2 4.27Å; F66-L295 HydrophobicContact CD2-CD2 4.36Å; F66-L295 HydrophobicContact CE2-CD2 3.99Å; V274-L295 HydrophobicContact CG1-CG 4.27Å; V274-L295 HydrophobicContact CG2-CD2 4.43Å; S276-L295 WeakPolarHBondContact O-CA 3.39Å; I277-L295 HydrophobicContact CG1-CD1 4.08Å; I277-L295 HydrophobicContact CG1-CG 4.18Å; I277-L295 HydrophobicContact CG2-CD1 4.14Å; L295-H305 CarbonylContact O-C 3.54Å; L295-H305 WeakPolarHBondContact O-CA 3.42Å; L295-H305 WeakPolarHBondContact O-CB 3.42Å; L295-S306 PolarHBondContact N-O 3.46Å; L295-S306 PolarHBondContact O-N 3.4Å; L295-Y308 HydrophobicContact CB-CD2 4.25Å; L295-Y308 HydrophobicContact CB-CE2 4.08Å; L295-Y308 HydrophobicContact CD1-CD2 3.99Å; L295-Y308 HydrophobicContact CD2-CD2 3.97Å; L295-Y308 HydrophobicContact CD2-CE2 3.87Å; L295-Y308 HydrophobicContact CG-CD2 4.28Å; L295-Y308 HydrophobicContact CG-CE2 4.4Å; L295-V311 HydrophobicContact CD1-CG1 4.27Å; L295-V311 HydrophobicContact CD1-CG2 3.61Å
296	N	98.3	Very high	91.2	Very high	45 Å²	45	62.9 Å²	62.9	24%	0.241	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	134.9	166.9	-61.5	-78.9	0	0	0	109	V274 S275 S276 H305	V274-N296 WeakPolarHBondContact CG1-O 3.37Å; S275-N296 PolarHBondContact N-O 3.4Å; S275-N296 PolarHBondContact OG-O 2.9Å; S276-N296 PolarHBondContact N-O 2.79Å; S276-N296 PolarHBondContact O-N 3.02Å; S276-N296 WeakPolarHBondContact OG-CB 3.42Å; S276-N296 PolarHBondContact OG-ND2 3.16Å; N296-H305 WeakPolarHBondContact OD1-CB 3.47Å
297	Y	98.1	Very high	92.5	Very high	33 Å²	33	60.5 Å²	60.5	13%	0.129	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157.8	-176.7	55.7	-90.8	0	0	0	111.4	F66 I270 A272 K273 S303 A304 S306	F66-Y297 HydrophobicContact CD1-CD1 4.36Å; F66-Y297 HydrophobicContact CD1-CD2 4.46Å; F66-Y297 HydrophobicContact CD1-CG 4.16Å; F66-Y297 AromaticContact CE1-CD1 3.45Å; F66-Y297 HydrophobicContact CE1-CD1 3.45Å; F66-Y297 VanDerWaalsContact CE1-CD1 3.45Å; F66-Y297 AromaticContact CE1-CD2 3.88Å; F66-Y297 HydrophobicContact CE1-CD2 3.88Å; F66-Y297 AromaticContact CE1-CE1 3.62Å; F66-Y297 HydrophobicContact CE1-CE1 3.62Å; F66-Y297 HydrophobicContact CE1-CE2 4.01Å; F66-Y297 AromaticContact CE1-CG 3.59Å; F66-Y297 HydrophobicContact CE1-CG 3.59Å; F66-Y297 AromaticContact CE1-CZ 3.9Å; F66-Y297 AromaticContact CZ-CD1 3.92Å; F66-Y297 HydrophobicContact CZ-CD1 3.92Å; F66-Y297 AromaticContact CZ-CE1 3.84Å; F66-Y297 HydrophobicContact CZ-CE1 3.84Å; F66-Y297 HydrophobicContact CZ-CG 4.49Å; I270-Y297 HydrophobicContact CG2-CE2 4.34Å; A272-Y297 HydrophobicContact CB-CD2 3.58Å; A272-Y297 HydrophobicContact CB-CE2 4.37Å; A272-Y297 HydrophobicContact CB-CG 4.27Å; K273-Y297 CarbonylContact O-C 3.52Å; K273-Y297 WeakPolarHBondContact O-CA 3.36Å; K273-Y297 WeakPolarHBondContact O-CB 3.35Å; Y297-S303 WeakPolarHBondContact O-CA 3.48Å; Y297-A304 HydrophobicContact CD2-CB 4.2Å; Y297-A304 HydrophobicContact CE1-CB 4.49Å; Y297-A304 HydrophobicContact CE2-CB 3.57Å; Y297-A304 PolarHBondContact N-O 3.15Å; Y297-A304 PolarHBondContact O-N 3.43Å; Y297-A304 VanDerWaalsContact O-O 3.12Å; Y297-S306 PolarHBondContact OH-OG 3.14Å
298	V	97.7	Very high	94.1	Very high	69 Å²	69	57 Å²	57	42%	0.418	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.3	178.1	-174.8	0	0	0	0	108	A272 K273	A272-V298 WeakPolarHBondContact CA-O 3.22Å; A272-V298 WeakPolarHBondContact CB-O 3.36Å; K273-V298 PolarHBondContact N-O 3.08Å; K273-V298 PolarHBondContact O-N 3.09Å
299	G	94.8	Very high	95.1	Very high	23 Å²	23	54.2 Å²	54.2	24%	0.237	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-168.7	171.3	0	0	0	0	0	111.1	S301 G302	G299-S301 VanDerWaalsContact C-N 3.26Å; G299-S301 PolarHBondContact O-N 2.99Å; G299-G302 PolarHBondContact N-O 3.31Å; G299-G302 VanDerWaalsContact N-O 3.08Å; G299-G302 PolarHBondContact O-N 2.95Å
300	E	91.5	Very high	95.8	Very high	185 Å²	185	49.5 Å²	49.5	86%	0.864	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.8	178.9	-64.1	-176.7	170	0	0	113	G302	E300-G302 PolarHBondContact O-N 3.11Å
301	S	91.4	Very high	96.5	Very high	133 Å²	133	47.8 Å²	47.8	93%	0.93	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	6.5	177	-47.2	0	0	0	0	113.9	G299	G299-S301 VanDerWaalsContact C-N 3.26Å; G299-S301 PolarHBondContact O-N 2.99Å
302	G	94.9	Very high	96.9	Very high	32 Å²	32	47 Å²	47	33%	0.33	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	96.9	-160.3	-178.8	0	0	0	0	0	113.9	G299 E300	G299-G302 PolarHBondContact N-O 3.31Å; G299-G302 VanDerWaalsContact N-O 3.08Å; G299-G302 PolarHBondContact O-N 2.95Å; E300-G302 PolarHBondContact O-N 3.11Å
303	S	96.9	Very high	97.1	Very high	107 Å²	107	44.6 Å²	44.6	75%	0.748	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	134.1	-177.1	-58.1	0	0	0	0	111.9	Y297	Y297-S303 WeakPolarHBondContact O-CA 3.48Å
304	A	97.8	Very high	97.1	Very high	40 Å²	40	45.1 Å²	45.1	33%	0.331	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	171.3	175.8	0	0	0	0	0	110.8	Y297	Y297-A304 HydrophobicContact CD2-CB 4.2Å; Y297-A304 HydrophobicContact CE1-CB 4.49Å; Y297-A304 HydrophobicContact CE2-CB 3.57Å; Y297-A304 PolarHBondContact N-O 3.15Å; Y297-A304 PolarHBondContact O-N 3.43Å; Y297-A304 VanDerWaalsContact O-O 3.12Å
305	H	97.8	Very high	97	Very high	114 Å²	114	44.8 Å²	44.8	53%	0.528	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	158.8	174.4	68.5	-81.5	0	0	0	111.5	E294 L295 N296	E294-H305 HydrophobicContact CG-CB 4.49Å; L295-H305 CarbonylContact O-C 3.54Å; L295-H305 WeakPolarHBondContact O-CA 3.42Å; L295-H305 WeakPolarHBondContact O-CB 3.42Å; N296-H305 WeakPolarHBondContact OD1-CB 3.47Å
306	S	98	Very high	96.9	Very high	24 Å²	24	45.2 Å²	45.2	17%	0.168	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	153.4	176.3	-80.9	0	0	0	0	111.5	L295 Y297 Y308	L295-S306 PolarHBondContact N-O 3.46Å; L295-S306 PolarHBondContact O-N 3.4Å; Y297-S306 PolarHBondContact OH-OG 3.14Å; S306-Y308 VanDerWaalsContact CB-CE2 3.45Å
307	L	98.1	Very high	96.7	Very high	82 Å²	82	43.1 Å²	43.1	43%	0.429	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.9	-179	-58.3	-179.3	0	0	0	112	K36 Y292 Y293 E294	K36-L307 WeakPolarHBondContact CD-O 3.25Å; Y292-L307 HydrophobicContact CD2-CB 4.34Å; Y292-L307 HydrophobicContact CD2-CD1 4.41Å; Y292-L307 HydrophobicContact CD2-CD2 4.12Å; Y292-L307 HydrophobicContact CE2-CD1 3.81Å; Y292-L307 HydrophobicContact CE2-CD2 3.73Å; Y292-L307 HydrophobicContact CE2-CG 4.21Å; Y293-L307 CarbonylContact O-C 3.49Å; Y293-L307 VanDerWaalsContact O-CA 3.25Å; Y293-L307 WeakPolarHBondContact O-CA 3.31Å; E294-L307 HydrophobicContact CB-CD2 3.68Å; E294-L307 HydrophobicContact CG-CD2 4.03Å
308	Y	98.3	Very high	96.5	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	145.3	-176	-64	-84.5	0	0	0	112.5	K36 I37 A38 D64 F66 Y293 L295 S306	K36-Y308 HydrophobicContact CB-CD1 3.96Å; K36-Y308 HydrophobicContact CB-CE1 4.43Å; K36-Y308 HydrophobicContact CD-CD1 3.67Å; K36-Y308 HydrophobicContact CD-CE1 3.36Å; K36-Y308 VanDerWaalsContact CE-CE1 3.47Å; K36-Y308 HydrophobicContact CG-CD1 3.6Å; K36-Y308 HydrophobicContact CG-CE1 3.57Å; K36-Y308 PolarHBondContact NZ-OH 3.35Å; I37-Y308 VanDerWaalsContact C-CD1 3.44Å; A38-Y308 HydrophobicContact CB-CD1 3.55Å; A38-Y308 HydrophobicContact CB-CD2 3.86Å; A38-Y308 HydrophobicContact CB-CE1 3.67Å; A38-Y308 HydrophobicContact CB-CE2 3.97Å; A38-Y308 HydrophobicContact CB-CG 3.65Å; A38-Y308 VanDerWaalsContact N-CD1 3.33Å; D64-Y308 HydrophobicContact CB-CE1 4.03Å; D64-Y308 PolarHBondContact OD2-OH 3.04Å; F66-Y308 HydrophobicContact CE2-CE2 4.11Å; F66-Y308 AromaticContact CE2-CZ 3.74Å; F66-Y308 VanDerWaalsContact CE2-OH 3.29Å; F66-Y308 WeakPolarHBondContact CE2-OH 3.4Å; F66-Y308 HydrophobicContact CZ-CE2 4.21Å; F66-Y308 AromaticContact CZ-CZ 3.95Å; F66-Y308 WeakPolarHBondContact CZ-OH 3.41Å; Y293-Y308 PolarHBondContact N-O 2.64Å; Y293-Y308 PolarHBondContact O-N 2.81Å; L295-Y308 HydrophobicContact CB-CD2 4.25Å; L295-Y308 HydrophobicContact CB-CE2 4.08Å; L295-Y308 HydrophobicContact CD1-CD2 3.99Å; L295-Y308 HydrophobicContact CD2-CD2 3.97Å; L295-Y308 HydrophobicContact CD2-CE2 3.87Å; L295-Y308 HydrophobicContact CG-CD2 4.28Å; L295-Y308 HydrophobicContact CG-CE2 4.4Å; S306-Y308 VanDerWaalsContact CB-CE2 3.45Å
309	D	97.4	Very high	96.1	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.043	27%	0.267	C	S	.	.	S	Bend	trans	-82.4	-32.2	174.4	-61.5	-64	0	0	0	111.6	P34 K35 K36 R282 R457 W489	P34-D309 HydrophobicContact CB-CB 3.94Å; K35-D309 WeakPolarHBondContact CB-OD2 3.3Å; K35-D309 PolarHBondContact N-OD2 3.06Å; K36-D309 PolarHBondContact N-OD2 2.98Å; K36-D309 PolarHBondContact O-N 3.48Å; R282-D309 IonicContact CZ-OD1 3.29Å; R282-D309 IonicContact NH1-OD1 3.49Å; R282-D309 PolarHBondContact NH1-OD1 3.28Å; R282-D309 VanDerWaalsContact NH1-OD1 3.16Å; R282-D309 IonicContact NH2-OD1 2.89Å; R282-D309 PolarHBondContact NH2-OD1 2.81Å; D309-R457 WeakPolarHBondContact O-CB 3.31Å; D309-R457 WeakPolarHBondContact O-CD 3.49Å; D309-W489 HydrophobicContact CB-CH2 3.92Å; D309-W489 HydrophobicContact CB-CZ3 3.92Å
310	I	98.4	Very high	95.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142	177.9	-58.4	170.8	0	0	0	109.1	P34 I37 A38 F57 V312 R457 Y459 A485 W489	P34-I310 HydrophobicContact CB-CD1 4.05Å; P34-I310 HydrophobicContact CB-CG1 4.45Å; P34-I310 HydrophobicContact CG-CD1 3.94Å; I37-I310 WeakPolarHBondContact CA-O 3.45Å; I37-I310 HydrophobicContact CB-CB 4.45Å; I37-I310 HydrophobicContact CD1-CD1 4.04Å; I37-I310 HydrophobicContact CG1-CB 4.07Å; I37-I310 HydrophobicContact CG1-CD1 4.31Å; I37-I310 HydrophobicContact CG2-CB 3.98Å; I37-I310 HydrophobicContact CG2-CG2 4.04Å; A38-I310 PolarHBondContact N-O 3.46Å; F57-I310 HydrophobicContact CE1-CD1 4.25Å; F57-I310 HydrophobicContact CE2-CD1 4.12Å; F57-I310 HydrophobicContact CZ-CD1 3.65Å; I310-V312 HydrophobicContact CG2-CG2 4.42Å; I310-R457 WeakPolarHBondContact CA-O 3.32Å; I310-R457 HydrophobicContact CG1-CB 4.14Å; I310-R457 HydrophobicContact CG1-CG 4.49Å; I310-Y459 HydrophobicContact CG2-CD2 4.08Å; I310-Y459 HydrophobicContact CG2-CE2 3.94Å; I310-A485 HydrophobicContact CD1-CB 4.46Å; I310-A485 HydrophobicContact CG2-CB 4.47Å; I310-W489 HydrophobicContact CD1-CE3 3.88Å; I310-W489 HydrophobicContact CD1-CZ3 4.32Å; I310-W489 HydrophobicContact CG1-CE3 4.07Å; I310-W489 HydrophobicContact CG1-CZ3 4.14Å
311	V	98.8	Very high	95.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.3	174.7	179.4	0	0	0	0	109.6	A38 I40 I277 Y293 L295 I313 R457 L458 Y459	A38-V311 HydrophobicContact CB-CG1 4.47Å; A38-V311 HydrophobicContact CB-CG2 4.33Å; A38-V311 CarbonylContact O-C 3.59Å; A38-V311 WeakPolarHBondContact O-CA 3.3Å; I40-V311 HydrophobicContact CD1-CG1 4.01Å; I277-V311 HydrophobicContact CD1-CG1 4.17Å; Y293-V311 HydrophobicContact CD2-CB 4.46Å; Y293-V311 HydrophobicContact CD2-CG2 3.74Å; Y293-V311 HydrophobicContact CG-CG2 3.76Å; L295-V311 HydrophobicContact CD1-CG1 4.27Å; L295-V311 HydrophobicContact CD1-CG2 3.61Å; V311-I313 HydrophobicContact CG1-CG1 4.41Å; V311-R457 PolarHBondContact N-O 3.32Å; V311-L458 HydrophobicContact CB-CD1 3.58Å; V311-L458 HydrophobicContact CG1-CD1 3.62Å; V311-L458 WeakPolarHBondContact O-CA 3.21Å; V311-Y459 PolarHBondContact O-N 2.82Å
312	V	98.8	Very high	95.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.9	174.4	178.4	0	0	0	0	109	A38 V39 I40 A49 L53 I310 Y459 L461 V481	A38-V312 PolarHBondContact O-N 2.9Å; V39-V312 CarbonylContact C-O 3.59Å; V39-V312 VanDerWaalsContact CA-O 3.31Å; V39-V312 WeakPolarHBondContact CA-O 3.44Å; V39-V312 HydrophobicContact CG2-CB 4.4Å; I40-V312 PolarHBondContact N-O 3.12Å; A49-V312 HydrophobicContact CB-CG1 4.3Å; L53-V312 HydrophobicContact CD1-CG2 4.1Å; I310-V312 HydrophobicContact CG2-CG2 4.42Å; V312-Y459 HydrophobicContact CG2-CD2 4.34Å; V312-L461 HydrophobicContact CG1-CD2 3.81Å; V312-V481 HydrophobicContact CG1-CG1 3.88Å; V312-V481 HydrophobicContact CG2-CG1 3.85Å
313	I	98.7	Very high	95.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.9	177.9	-55.3	178.8	0	0	0	108.4	I40 I277 V311 T315 L317 F326 L454 L458 Y459 Y460 L461	I40-I313 HydrophobicContact CD1-CG1 4.28Å; I277-I313 HydrophobicContact CD1-CD1 3.72Å; I277-I313 HydrophobicContact CD1-CG1 4.15Å; V311-I313 HydrophobicContact CG1-CG1 4.41Å; I313-T315 HydrophobicContact CG2-CG2 4.04Å; I313-T315 WeakPolarHBondContact CG2-O 3.43Å; I313-L317 HydrophobicContact CD1-CD1 3.96Å; I313-L317 HydrophobicContact CD1-CD2 4.38Å; I313-L317 HydrophobicContact CG2-CD1 4.27Å; I313-L317 HydrophobicContact CG2-CD2 4Å; I313-L317 HydrophobicContact CG2-CG 4.03Å; I313-F326 HydrophobicContact CD1-CE1 3.81Å; I313-F326 HydrophobicContact CD1-CZ 3.7Å; I313-L454 HydrophobicContact CD1-CD1 3.88Å; I313-L458 HydrophobicContact CD1-CD1 4.08Å; I313-L458 HydrophobicContact CG1-CD1 4.26Å; I313-Y459 PolarHBondContact N-O 3.16Å; I313-Y460 HydrophobicContact CB-CD2 4Å; I313-Y460 HydrophobicContact CG2-CD2 3.88Å; I313-Y460 HydrophobicContact CG2-CE2 4.32Å; I313-L461 PolarHBondContact O-N 3.28Å
314	A	98	Very high	95.4	Very high	10 Å²	10	32.2 Å²	32.2	8%	0.083	19%	0.185	C	C	.	.			trans	-112.3	11.9	-179.3	0	0	0	0	0	113.6	V39 I40 G46 L461 N462	V39-A314 HydrophobicContact CG1-CB 4.15Å; I40-A314 CarbonylContact O-C 3.25Å; I40-A314 VanDerWaalsContact O-C 3.23Å; I40-A314 WeakPolarHBondContact O-CA 3.42Å; I40-A314 VanDerWaalsContact O-CB 3.29Å; I40-A314 WeakPolarHBondContact O-CB 3.45Å; I40-A314 PolarHBondContact O-N 2.87Å; G46-A314 VanDerWaalsContact CA-CB 3.42Å; A314-L461 HydrophobicContact CB-CD1 4.38Å; A314-L461 HydrophobicContact CB-CD2 3.64Å; A314-L461 HydrophobicContact CB-CG 4.04Å; A314-N462 WeakPolarHBondContact CA-OD1 3.33Å; A314-N462 PolarHBondContact O-ND2 3.42Å; A314-N462 PolarHBondContact O-OD1 3.23Å
315	T	95.9	Very high	95.4	Very high	33 Å²	33	33.6 Å²	33.6	20%	0.202	19%	0.189	C	C	.	.	S	Bend	trans	-113.6	142.2	171.7	-178.3	0	0	0	0	109.9	I40 I313 L317 I324 Y460	I40-T315 HydrophobicContact CG2-CG2 3.99Å; I40-T315 PolarHBondContact O-N 2.72Å; I40-T315 VanDerWaalsContact O-N 3.14Å; I313-T315 HydrophobicContact CG2-CG2 4.04Å; I313-T315 WeakPolarHBondContact CG2-O 3.43Å; T315-L317 PolarHBondContact O-N 2.81Å; T315-I324 HydrophobicContact CG2-CD1 3.94Å; T315-Y460 WeakPolarHBondContact O-CE2 3.06Å
316	P	94.9	Very high	95.4	Very high	9 Å²	9	29.5 Å²	29.5	6%	0.058	17%	0.17	C	C	.	.			trans	-62	130.3	-179.8	-24.1	34.5	0	0	0	113.5	H318 K321 S322 Y341 Y460 N462	P316-H318 VanDerWaalsContact C-N 3.27Å; P316-H318 PolarHBondContact O-N 2.93Å; P316-K321 HydrophobicContact CB-CB 3.89Å; P316-K321 HydrophobicContact CB-CG 3.97Å; P316-K321 HydrophobicContact CG-CB 4.48Å; P316-K321 HydrophobicContact CG-CG 4.35Å; P316-K321 WeakPolarHBondContact O-CB 3.37Å; P316-S322 WeakPolarHBondContact O-CB 3.38Å; P316-S322 PolarHBondContact O-OG 3.11Å; P316-Y341 HydrophobicContact CB-CE1 4.45Å; P316-Y341 HydrophobicContact CB-CE2 4.15Å; P316-Y341 WeakPolarHBondContact CB-OH 3.29Å; P316-Y341 HydrophobicContact CG-CE1 4.26Å; P316-Y460 WeakPolarHBondContact CA-OH 3.46Å; P316-N462 HydrophobicContact CG-CB 4.49Å
317	L	94.9	Very high	95.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.182	C	C	.	.			trans	-88.9	51	177	-65.9	175.2	0	0	0	112.2	I313 T315 I324 F326 H336 Y337 L454 Y460	I313-L317 HydrophobicContact CD1-CD1 3.96Å; I313-L317 HydrophobicContact CD1-CD2 4.38Å; I313-L317 HydrophobicContact CG2-CD1 4.27Å; I313-L317 HydrophobicContact CG2-CD2 4Å; I313-L317 HydrophobicContact CG2-CG 4.03Å; T315-L317 PolarHBondContact O-N 2.81Å; L317-I324 HydrophobicContact CD2-CB 4.28Å; L317-I324 HydrophobicContact CD2-CD1 4.21Å; L317-F326 HydrophobicContact CD1-CE2 4.3Å; L317-F326 HydrophobicContact CD1-CZ 3.9Å; L317-F326 HydrophobicContact CD2-CE2 4.15Å; L317-F326 HydrophobicContact CD2-CZ 3.98Å; L317-H336 CarbonylContact O-C 3.52Å; L317-H336 WeakPolarHBondContact O-CA 3.15Å; L317-Y337 HydrophobicContact CB-CD2 3.99Å; L317-Y337 HydrophobicContact CD1-CD2 4.41Å; L317-Y337 HydrophobicContact CD1-CE2 4.15Å; L317-Y337 PolarHBondContact O-N 2.74Å; L317-L454 HydrophobicContact CD1-CD1 3.82Å; L317-Y460 HydrophobicContact CB-CE2 4.28Å; L317-Y460 HydrophobicContact CD1-CD1 4.48Å; L317-Y460 HydrophobicContact CD1-CD2 3.9Å; L317-Y460 HydrophobicContact CD1-CE2 4.12Å; L317-Y460 HydrophobicContact CD1-CG 4.09Å; L317-Y460 HydrophobicContact CG-CD2 4.1Å; L317-Y460 HydrophobicContact CG-CE2 3.86Å; L317-Y460 PolarHBondContact N-OH 3.23Å
318	H	92.8	Very high	95.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	19%	0.187	C	C	.	.	S	Bend	trans	-127.5	158.1	-176.8	-60.7	72.4	0	0	0	109.9	P316 G320 K321 S322 Y337 Y341 Y460 W466	P316-H318 VanDerWaalsContact C-N 3.27Å; P316-H318 PolarHBondContact O-N 2.93Å; H318-G320 PolarHBondContact O-N 3Å; H318-K321 WeakPolarHBondContact O-CB 3.11Å; H318-K321 PolarHBondContact O-N 3.37Å; H318-S322 PolarHBondContact O-N 2.89Å; H318-Y337 PolarHBondContact CD2-O 2.9Å; H318-Y337 VanDerWaalsContact CD2-O 3.26Å; H318-Y337 WeakPolarHBondContact NE2-CB 3.48Å; H318-Y341 HydrophobicContact CB-CD2 4.05Å; H318-Y341 HydrophobicContact CB-CE2 3.86Å; H318-Y341 AromaticContact CG-CE2 3.72Å; H318-Y341 AromaticContact ND1-CE2 3.82Å; H318-Y460 PolarHBondContact CE1-OH 2.79Å; H318-W466 AromaticContact CD2-CE2 3.79Å; H318-W466 AromaticContact CD2-CZ2 3.29Å; H318-W466 WeakPolarHBondContact CD2-CZ2 3.36Å; H318-W466 AromaticContact CD2-NE1 3.82Å; H318-W466 AromaticContact CE1-CE2 3.8Å; H318-W466 AromaticContact CE1-NE1 3.04Å; H318-W466 PolarHBondContact CE1-NE1 2.85Å; H318-W466 AromaticContact ND1-NE1 3.8Å; H318-W466 AromaticContact NE2-CE2 3.27Å; H318-W466 VanDerWaalsContact NE2-CE2 3.27Å; H318-W466 AromaticContact NE2-CZ2 3.31Å; H318-W466 VanDerWaalsContact NE2-CZ2 3.31Å; H318-W466 WeakPolarHBondContact NE2-CZ2 3.5Å; H318-W466 AromaticContact NE2-NE1 2.98Å; H318-W466 PolarHBondContact NE2-NE1 3.14Å
319	Q	89.3	Confident	95	Very high	135 Å²	135	30.7 Å²	30.7	63%	0.631	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	135	-179.9	-172.2	175.7	-0.3	0	0	111	K321	Q319-K321 VanDerWaalsContact C-N 3.26Å; Q319-K321 PolarHBondContact O-N 3.45Å
320	G	86.3	Confident	94.6	Very high	56 Å²	56	35.6 Å²	35.6	58%	0.577	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.3	-1	-178.5	0	0	0	0	0	115	H318 L437	H318-G320 PolarHBondContact O-N 3Å; G320-L437 WeakPolarHBondContact O-CD1 3.45Å
321	K	90.3	Very high	94.3	Very high	59 Å²	59	40.9 Å²	40.9	26%	0.257	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-56.5	177.5	-71.3	-62.7	-148.1	169	0	113.3	P316 H318 Q319 Y341 L437	P316-K321 HydrophobicContact CB-CB 3.89Å; P316-K321 HydrophobicContact CB-CG 3.97Å; P316-K321 HydrophobicContact CG-CB 4.48Å; P316-K321 HydrophobicContact CG-CG 4.35Å; P316-K321 WeakPolarHBondContact O-CB 3.37Å; H318-K321 WeakPolarHBondContact O-CB 3.11Å; H318-K321 PolarHBondContact O-N 3.37Å; Q319-K321 VanDerWaalsContact C-N 3.26Å; Q319-K321 PolarHBondContact O-N 3.45Å; K321-Y341 HydrophobicContact CG-CD2 4.33Å; K321-Y341 HydrophobicContact CG-CG 4.36Å; K321-L437 HydrophobicContact CD-CB 3.98Å; K321-L437 HydrophobicContact CD-CD1 4.1Å; K321-L437 WeakPolarHBondContact CE-O 3.31Å; K321-L437 PolarHBondContact NZ-O 3.26Å
322	S	90.1	Very high	94.1	Very high	8 Å²	8	46.3 Å²	46.3	6%	0.056	30%	0.295	C	S	.	.			trans	-145.6	148.7	176.7	67.9	0	0	0	0	110.8	P316 H318 H336	P316-S322 WeakPolarHBondContact O-CB 3.38Å; P316-S322 PolarHBondContact O-OG 3.11Å; H318-S322 PolarHBondContact O-N 2.89Å; S322-H336 PolarHBondContact O-CD2 3.41Å; S322-H336 VanDerWaalsContact O-CD2 3.29Å; S322-H336 PolarHBondContact O-NE2 3.49Å
323	D	92.8	Very high	93.9	Very high	90 Å²	90	47 Å²	47	48%	0.481	30%	0.299	S	S	.	.			trans	-120.3	43.8	-178.2	-57.9	-55.8	0	0	0	110	T325 H336	D323-T325 PolarHBondContact O-N 2.64Å; D323-H336 IonicContact OD1-CE1 3.49Å; D323-H336 PolarHBondContact OD1-CE1 2.87Å; D323-H336 IonicContact OD1-NE2 3.86Å; D323-H336 PolarHBondContact OD1-NE2 3.38Å
324	I	97	Very high	93.6	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	32%	0.317	C	S	.	.			trans	-74.4	118.7	178.4	-62.3	170.6	0	0	0	108.3	I40 I277 T315 L317 F326 T335	I40-I324 HydrophobicContact CG2-CD1 4.08Å; I277-I324 HydrophobicContact CD1-CG2 3.81Å; I277-I324 HydrophobicContact CG1-CG2 3.87Å; T315-I324 HydrophobicContact CG2-CD1 3.94Å; L317-I324 HydrophobicContact CD2-CB 4.28Å; L317-I324 HydrophobicContact CD2-CD1 4.21Å; I324-F326 HydrophobicContact CG2-CE1 4.45Å; I324-F326 HydrophobicContact CG2-CE2 4.27Å; I324-F326 HydrophobicContact CG2-CZ 4.07Å; I324-F326 WeakPolarHBondContact O-CE2 3.45Å; I324-T335 WeakPolarHBondContact O-CG2 3.05Å
325	T	97.4	Very high	93.3	Very high	69 Å²	69	51.6 Å²	51.6	42%	0.423	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	143.1	176.5	55.7	0	0	0	0	111.4	S275 S276 I277 D323 T335	S275-T325 PolarHBondContact O-N 2.93Å; S275-T325 PolarHBondContact O-OG1 3.17Å; S276-T325 CarbonylContact C-O 3.55Å; S276-T325 WeakPolarHBondContact CA-O 3.47Å; S276-T325 WeakPolarHBondContact CB-O 3.39Å; S276-T325 WeakPolarHBondContact CB-OG1 3.36Å; I277-T325 PolarHBondContact N-O 2.78Å; D323-T325 PolarHBondContact O-N 2.64Å; T325-T335 HydrophobicContact CG2-CG2 4.36Å
326	F	97.6	Very high	93.2	Very high	29 Å²	29	53.4 Å²	53.4	13%	0.127	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129	-179.3	-63.9	-88.5	0	0	0	110.5	I277 I313 L317 I324 F329 I333 L454 L458	I277-F326 HydrophobicContact CB-CD1 4.12Å; I277-F326 HydrophobicContact CB-CE1 4.24Å; I277-F326 HydrophobicContact CD1-CE1 3.81Å; I277-F326 HydrophobicContact CD1-CZ 4.4Å; I277-F326 WeakPolarHBondContact O-CA 3.46Å; I313-F326 HydrophobicContact CD1-CE1 3.81Å; I313-F326 HydrophobicContact CD1-CZ 3.7Å; L317-F326 HydrophobicContact CD1-CE2 4.3Å; L317-F326 HydrophobicContact CD1-CZ 3.9Å; L317-F326 HydrophobicContact CD2-CE2 4.15Å; L317-F326 HydrophobicContact CD2-CZ 3.98Å; I324-F326 HydrophobicContact CG2-CE1 4.45Å; I324-F326 HydrophobicContact CG2-CE2 4.27Å; I324-F326 HydrophobicContact CG2-CZ 4.07Å; I324-F326 WeakPolarHBondContact O-CE2 3.45Å; F326-F329 HydrophobicContact CB-CD2 3.82Å; F326-F329 HydrophobicContact CB-CE2 3.84Å; F326-F329 AromaticContact CD1-CE2 3.97Å; F326-F329 HydrophobicContact CD1-CE2 3.97Å; F326-F329 HydrophobicContact CD1-CZ 4.34Å; F326-F329 HydrophobicContact CG-CE2 4.42Å; F326-I333 HydrophobicContact CB-CB 3.94Å; F326-I333 HydrophobicContact CB-CG2 4.42Å; F326-I333 HydrophobicContact CD1-CB 4.17Å; F326-I333 HydrophobicContact CD1-CD1 4.07Å; F326-I333 HydrophobicContact CD1-CG2 3.99Å; F326-I333 HydrophobicContact CD2-CB 4.15Å; F326-I333 HydrophobicContact CD2-CG2 3.69Å; F326-I333 HydrophobicContact CE1-CG2 4.13Å; F326-I333 HydrophobicContact CE2-CG2 3.86Å; F326-I333 HydrophobicContact CG-CB 3.83Å; F326-I333 HydrophobicContact CG-CG2 3.77Å; F326-I333 HydrophobicContact CZ-CG2 4.08Å; F326-L454 HydrophobicContact CE1-CD1 4.45Å; F326-L454 HydrophobicContact CZ-CD1 4.41Å; F326-L458 HydrophobicContact CD1-CD2 4.39Å; F326-L458 HydrophobicContact CE1-CD2 4.19Å
327	S	96.9	Very high	93	Very high	59 Å²	59	54.7 Å²	54.7	41%	0.413	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.1	179.1	88.6	0	0	0	0	113	I277 S278 M279 F329	I277-S327 PolarHBondContact O-N 2.85Å; S278-S327 WeakPolarHBondContact CA-O 3.22Å; S278-S327 VanDerWaalsContact CB-OG 3.24Å; S278-S327 WeakPolarHBondContact CB-OG 3.38Å; S278-S327 PolarHBondContact OG-OG 2.93Å; M279-S327 PolarHBondContact N-O 3.48Å; S327-F329 WeakPolarHBondContact O-CD2 3.29Å; S327-F329 WeakPolarHBondContact O-CE2 3.46Å
328	G	93.7	Very high	92.8	Very high	52 Å²	52	58.4 Å²	58.4	54%	0.536	36%	0.361	S	S	.	.	S	Bend	trans	79.1	16.2	179.4	0	0	0	0	0	115.2	M279	M279-G328 WeakPolarHBondContact CE-O 3.36Å
329	F	94.6	Very high	92.6	Very high	22 Å²	22	60.1 Å²	60.1	10%	0.096	38%	0.379	C	S	.	.			trans	-100.4	142.4	180	-62.5	-86.8	0	0	0	112.5	I277 M279 Y293 F326 S327 P331 I333 H455 L458	I277-F329 HydrophobicContact CG2-CZ 4.28Å; M279-F329 HydrophobicContact CB-CD1 4.23Å; M279-F329 HydrophobicContact CB-CE1 3.93Å; M279-F329 HydrophobicContact CB-CE2 4.34Å; M279-F329 HydrophobicContact CB-CZ 3.98Å; M279-F329 HydrophobicContact SD-CD1 4.46Å; Y293-F329 HydrophobicContact CD1-CZ 4.26Å; Y293-F329 AromaticContact CE1-CE1 3.84Å; Y293-F329 HydrophobicContact CE1-CE1 3.84Å; Y293-F329 AromaticContact CE1-CZ 3.94Å; Y293-F329 HydrophobicContact CE1-CZ 3.94Å; F326-F329 HydrophobicContact CB-CD2 3.82Å; F326-F329 HydrophobicContact CB-CE2 3.84Å; F326-F329 AromaticContact CD1-CE2 3.97Å; F326-F329 HydrophobicContact CD1-CE2 3.97Å; F326-F329 HydrophobicContact CD1-CZ 4.34Å; F326-F329 HydrophobicContact CG-CE2 4.42Å; S327-F329 WeakPolarHBondContact O-CD2 3.29Å; S327-F329 WeakPolarHBondContact O-CE2 3.46Å; F329-P331 CarbonylContact C-O 3.48Å; F329-I333 HydrophobicContact CB-CD1 4.44Å; F329-I333 HydrophobicContact CB-CG1 4.29Å; F329-I333 HydrophobicContact CD1-CD1 3.53Å; F329-I333 HydrophobicContact CD1-CG1 4.26Å; F329-I333 HydrophobicContact CD2-CD1 4.14Å; F329-I333 HydrophobicContact CE1-CD1 3.66Å; F329-I333 HydrophobicContact CE2-CD1 4.27Å; F329-I333 HydrophobicContact CG-CD1 3.78Å; F329-I333 HydrophobicContact CG-CG1 4.14Å; F329-I333 HydrophobicContact CZ-CD1 4.04Å; F329-H455 HydrophobicContact CD1-CB 4.04Å; F329-H455 AromaticContact CD1-CG 3.9Å; F329-H455 HydrophobicContact CE1-CB 3.91Å; F329-H455 AromaticContact CE1-CG 3.94Å; F329-L458 HydrophobicContact CE1-CD2 3.75Å; F329-L458 HydrophobicContact CZ-CD2 3.75Å
330	S	90.3	Very high	92.6	Very high	112 Å²	112	59.2 Å²	59.2	78%	0.783	38%	0.378	S	S	*	.	S	Bend	trans	-138.1	113.6	171	-172.9	0	0	0	0	109.3
331	P	91.8	Very high	92.9	Very high	110 Å²	110	57.4 Å²	57.4	71%	0.714	35%	0.354	S	S	*	.	S	Bend	cis	-65.7	158.9	-2.8	30.1	-35.7	0	0	0	112.6	F329	F329-P331 CarbonylContact C-O 3.48Å
332	P	93.6	Very high	92.8	Very high	114 Å²	114	57 Å²	57	74%	0.74	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-60.7	138.1	176.8	-23	33.8	0	0	0	112.4
333	I	95	Very high	92.9	Very high	16 Å²	16	59.2 Å²	59.2	8%	0.082	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-86.4	128.1	168.4	-60.3	169.5	0	0	0	107.4	F326 F329 L454 H455 L458	F326-I333 HydrophobicContact CB-CB 3.94Å; F326-I333 HydrophobicContact CB-CG2 4.42Å; F326-I333 HydrophobicContact CD1-CB 4.17Å; F326-I333 HydrophobicContact CD1-CD1 4.07Å; F326-I333 HydrophobicContact CD1-CG2 3.99Å; F326-I333 HydrophobicContact CD2-CB 4.15Å; F326-I333 HydrophobicContact CD2-CG2 3.69Å; F326-I333 HydrophobicContact CE1-CG2 4.13Å; F326-I333 HydrophobicContact CE2-CG2 3.86Å; F326-I333 HydrophobicContact CG-CB 3.83Å; F326-I333 HydrophobicContact CG-CG2 3.77Å; F326-I333 HydrophobicContact CZ-CG2 4.08Å; F329-I333 HydrophobicContact CB-CD1 4.44Å; F329-I333 HydrophobicContact CB-CG1 4.29Å; F329-I333 HydrophobicContact CD1-CD1 3.53Å; F329-I333 HydrophobicContact CD1-CG1 4.26Å; F329-I333 HydrophobicContact CD2-CD1 4.14Å; F329-I333 HydrophobicContact CE1-CD1 3.66Å; F329-I333 HydrophobicContact CE2-CD1 4.27Å; F329-I333 HydrophobicContact CG-CD1 3.78Å; F329-I333 HydrophobicContact CG-CG1 4.14Å; F329-I333 HydrophobicContact CZ-CD1 4.04Å; I333-L454 HydrophobicContact CD1-CB 3.94Å; I333-L454 HydrophobicContact CG2-CD1 4.3Å; I333-H455 HydrophobicContact CD1-CB 4.29Å; I333-L458 HydrophobicContact CD1-CD2 3.62Å
334	P	92.9	Very high	92.9	Very high	56 Å²	56	55.3 Å²	55.3	36%	0.364	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-69.1	143.6	178.6	30.1	-35	0	0	0	110.9	H336 Y337	P334-H336 VanDerWaalsContact C-N 3.26Å; P334-H336 PolarHBondContact O-N 2.91Å; P334-Y337 HydrophobicContact CG-CD1 4.12Å; P334-Y337 HydrophobicContact CG-CD2 4.19Å; P334-Y337 HydrophobicContact CG-CE1 3.88Å; P334-Y337 HydrophobicContact CG-CE2 3.95Å; P334-Y337 HydrophobicContact CG-CG 4.27Å
335	T	90.6	Very high	92.9	Very high	49 Å²	49	55.1 Å²	55.1	30%	0.301	34%	0.341	S	S	.	.	S	Bend	trans	-59.8	-40	170.4	-53.7	0	0	0	0	111.2	I324 T325	I324-T335 WeakPolarHBondContact O-CG2 3.05Å; T325-T335 HydrophobicContact CG2-CG2 4.36Å
336	H	93.9	Very high	92.9	Very high	72 Å²	72	51.9 Å²	51.9	33%	0.333	32%	0.321	S	S	.	.	S	Bend	trans	-129.5	122.8	178.7	-52.1	118.2	0	0	0	110.2	L317 S322 D323 P334	L317-H336 CarbonylContact O-C 3.52Å; L317-H336 WeakPolarHBondContact O-CA 3.15Å; S322-H336 PolarHBondContact O-CD2 3.41Å; S322-H336 VanDerWaalsContact O-CD2 3.29Å; S322-H336 PolarHBondContact O-NE2 3.49Å; D323-H336 IonicContact OD1-CE1 3.49Å; D323-H336 PolarHBondContact OD1-CE1 2.87Å; D323-H336 IonicContact OD1-NE2 3.86Å; D323-H336 PolarHBondContact OD1-NE2 3.38Å; P334-H336 VanDerWaalsContact C-N 3.26Å; P334-H336 PolarHBondContact O-N 2.91Å
337	Y	92.4	Very high	93	Very high	35 Å²	35	50.5 Å²	50.5	14%	0.137	32%	0.315	C	S	.	.			trans	-71.1	150.1	167.2	-80.1	-87.2	0	0	0	110.4	L317 H318 P334 P450 L454	L317-Y337 HydrophobicContact CB-CD2 3.99Å; L317-Y337 HydrophobicContact CD1-CD2 4.41Å; L317-Y337 HydrophobicContact CD1-CE2 4.15Å; L317-Y337 PolarHBondContact O-N 2.74Å; H318-Y337 PolarHBondContact CD2-O 2.9Å; H318-Y337 VanDerWaalsContact CD2-O 3.26Å; H318-Y337 WeakPolarHBondContact NE2-CB 3.48Å; P334-Y337 HydrophobicContact CG-CD1 4.12Å; P334-Y337 HydrophobicContact CG-CD2 4.19Å; P334-Y337 HydrophobicContact CG-CE1 3.88Å; P334-Y337 HydrophobicContact CG-CE2 3.95Å; P334-Y337 HydrophobicContact CG-CG 4.27Å; Y337-P450 HydrophobicContact CD1-CB 3.7Å; Y337-P450 HydrophobicContact CD2-CB 4.15Å; Y337-P450 HydrophobicContact CE1-CB 3.86Å; Y337-P450 HydrophobicContact CE2-CB 4.29Å; Y337-P450 HydrophobicContact CG-CB 3.86Å; Y337-L454 HydrophobicContact CE2-CD2 4.24Å; Y337-L454 VanDerWaalsContact OH-CD2 3.32Å; Y337-L454 WeakPolarHBondContact OH-CD2 3.49Å
338	P	90.3	Very high	93	Very high	78 Å²	78	47.7 Å²	47.7	51%	0.506	30%	0.295	S	S	.	.	S	Bend	trans	-64.4	148.8	-178.9	28	-35.2	0	0	0	111.6
339	G	88.1	Confident	93.3	Very high	37 Å²	37	45.2 Å²	45.2	38%	0.381	27%	0.269	S	S	.	.			trans	112.6	160.8	175.9	0	0	0	0	0	113.1	W466	G339-W466 VanDerWaalsContact CA-CH2 3.47Å
340	L	89.6	Confident	93.4	Very high	116 Å²	116	46.8 Å²	46.8	61%	0.607	28%	0.277	S	S	*	.			trans	-117.9	147.7	-172.5	-61.7	174.9	0	0	0	110.9	S441	L340-S441 PolarHBondContact O-N 2.83Å
341	Y	91.4	Very high	93.8	Very high	19 Å²	19	41.5 Å²	41.5	8%	0.075	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.2	167.2	-82.3	-113.4	0	0	0	109.6	P316 H318 K321 L437 Y439 P440 E465 W466	P316-Y341 HydrophobicContact CB-CE1 4.45Å; P316-Y341 HydrophobicContact CB-CE2 4.15Å; P316-Y341 WeakPolarHBondContact CB-OH 3.29Å; P316-Y341 HydrophobicContact CG-CE1 4.26Å; H318-Y341 HydrophobicContact CB-CD2 4.05Å; H318-Y341 HydrophobicContact CB-CE2 3.86Å; H318-Y341 AromaticContact CG-CE2 3.72Å; H318-Y341 AromaticContact ND1-CE2 3.82Å; K321-Y341 HydrophobicContact CG-CD2 4.33Å; K321-Y341 HydrophobicContact CG-CG 4.36Å; Y341-L437 WeakPolarHBondContact CD1-O 3.31Å; Y341-Y439 CarbonylContact C-O 3.6Å; Y341-Y439 VanDerWaalsContact CA-O 3.26Å; Y341-Y439 WeakPolarHBondContact CA-O 3.29Å; Y341-P440 HydrophobicContact CE1-CG 4.11Å; Y341-P440 HydrophobicContact CE2-CG 4.29Å; Y341-E465 PolarHBondContact OH-OE2 2.97Å; Y341-W466 HydrophobicContact CD2-CZ2 4.5Å; Y341-W466 HydrophobicContact CE2-CZ2 4.01Å
342	H	88.6	Confident	94	Very high	49 Å²	49	37 Å²	37	23%	0.227	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	135.8	169.6	-173.2	-105	0	0	0	110.2	G226 A438 Y439	G226-H342 PolarHBondContact O-CE1 2.8Å; H342-A438 PolarHBondContact O-N 3.45Å; H342-Y439 PolarHBondContact N-O 2.7Å
343	Q	91.9	Very high	94.2	Very high	56 Å²	56	31.6 Å²	31.6	26%	0.262	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	143.8	174.6	-173.3	174.1	-90.8	0	0	110.9	V345 S413 E414 W436 L437	Q343-V345 HydrophobicContact CG-CG2 4.22Å; Q343-S413 PolarHBondContact NE2-O 3.34Å; Q343-E414 PolarHBondContact NE2-OE2 2.87Å; Q343-W436 CarbonylContact C-O 3.58Å; Q343-W436 VanDerWaalsContact CA-O 3.3Å; Q343-W436 WeakPolarHBondContact CA-O 3.42Å; Q343-L437 HydrophobicContact CB-CD2 4.11Å
344	T	93.6	Very high	94.3	Very high	8 Å²	8	32.3 Å²	32.3	5%	0.049	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	121.2	168.8	-60.2	0	0	0	0	107.4	F411 S412 W436	T344-F411 HydrophobicContact CG2-CB 4.38Å; T344-F411 HydrophobicContact CG2-CD1 3.62Å; T344-F411 HydrophobicContact CG2-CE1 4.11Å; T344-F411 HydrophobicContact CG2-CG 4.2Å; T344-S412 WeakPolarHBondContact CA-O 3.47Å; T344-W436 PolarHBondContact N-O 3.22Å; T344-W436 WeakPolarHBondContact O-CA 3.35Å; T344-W436 WeakPolarHBondContact O-CB 3.34Å; T344-W436 PolarHBondContact O-N 3.48Å
345	V	96.8	Very high	94.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.3	177.8	-175.1	0	0	0	0	108.1	Q343 F411 S412 P415 P435	Q343-V345 HydrophobicContact CG-CG2 4.22Å; V345-F411 WeakPolarHBondContact O-CA 3.48Å; V345-S412 PolarHBondContact N-O 2.95Å; V345-S412 PolarHBondContact O-N 3.22Å; V345-S412 VanDerWaalsContact O-N 3.14Å; V345-P415 HydrophobicContact CG2-CG 4.35Å; V345-P435 HydrophobicContact CG2-CB 4.36Å
346	A	97.8	Very high	94.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	107	168	0	0	0	0	0	108.3	T87 K409 F411 T434	T87-A346 VanDerWaalsContact O-CB 3.29Å; T87-A346 WeakPolarHBondContact O-CB 3.22Å; A346-K409 HydrophobicContact CB-CD 4.32Å; A346-F411 HydrophobicContact CB-CD1 4.05Å; A346-F411 HydrophobicContact CB-CE1 3.65Å; A346-T434 PolarHBondContact N-O 3Å; A346-T434 PolarHBondContact O-N 3.34Å
347	T	98.3	Very high	94.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	111.4	173.6	-58.4	0	0	0	0	109	V349 K409 V410 L416 L421 V431 S432 E433	T347-V349 HydrophobicContact CG2-CG2 3.99Å; T347-K409 CarbonylContact O-C 3.56Å; T347-K409 WeakPolarHBondContact O-CA 3.28Å; T347-V410 PolarHBondContact N-O 2.98Å; T347-V410 PolarHBondContact O-N 3.13Å; T347-L416 HydrophobicContact CG2-CD1 3.99Å; T347-L421 HydrophobicContact CG2-CD2 4.49Å; T347-V431 HydrophobicContact CG2-CG1 3.64Å; T347-S432 CarbonylContact C-O 3.41Å; T347-S432 WeakPolarHBondContact CA-O 3.41Å; T347-E433 HydrophobicContact CG2-CG 4.08Å
348	L	98.5	Very high	94.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.4	171.4	-86.8	56.7	0	0	0	108.9	V78 M80 T87 L388 V407 W408 K409 V431 S432	V78-L348 HydrophobicContact CB-CD2 4.07Å; V78-L348 HydrophobicContact CG1-CD2 4.39Å; M80-L348 HydrophobicContact CE-CB 3.88Å; M80-L348 VanDerWaalsContact CE-O 3.26Å; M80-L348 WeakPolarHBondContact CE-O 3.32Å; M80-L348 HydrophobicContact SD-CB 3.85Å; T87-L348 HydrophobicContact CG2-CD1 3.8Å; T87-L348 HydrophobicContact CG2-CD2 3.76Å; T87-L348 HydrophobicContact CG2-CG 4.45Å; L348-L388 HydrophobicContact CD1-CD1 4.39Å; L348-L388 HydrophobicContact CD2-CD1 4.48Å; L348-L388 HydrophobicContact CG-CD1 4.28Å; L348-V407 HydrophobicContact CB-CG1 4.45Å; L348-V407 HydrophobicContact CD2-CG1 4.38Å; L348-V407 HydrophobicContact CG-CG1 4.18Å; L348-W408 CarbonylContact C-O 3.33Å; L348-W408 VanDerWaalsContact CA-O 3.24Å; L348-W408 WeakPolarHBondContact CA-O 3.19Å; L348-K409 HydrophobicContact CD1-CB 4.08Å; L348-K409 HydrophobicContact CD1-CD 4.08Å; L348-K409 HydrophobicContact CD1-CG 3.93Å; L348-V431 CarbonylContact O-C 3.48Å; L348-V431 VanDerWaalsContact O-CA 3.28Å; L348-V431 WeakPolarHBondContact O-CA 3.14Å; L348-S432 PolarHBondContact N-O 3.26Å; L348-S432 PolarHBondContact O-N 2.87Å
349	V	98.4	Very high	95	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.4	179.7	-175.6	0	0	0	0	108.3	T347 V407 W408 L421 F425 Y428 S430 V431	T347-V349 HydrophobicContact CG2-CG2 3.99Å; V349-V407 WeakPolarHBondContact O-CA 3.26Å; V349-W408 PolarHBondContact N-O 3.36Å; V349-W408 PolarHBondContact O-N 2.83Å; V349-L421 HydrophobicContact CG2-CD2 3.84Å; V349-F425 HydrophobicContact CB-CD2 4.44Å; V349-F425 HydrophobicContact CB-CE1 4.3Å; V349-F425 HydrophobicContact CB-CE2 3.9Å; V349-F425 HydrophobicContact CB-CZ 3.83Å; V349-F425 HydrophobicContact CG1-CD1 4.2Å; V349-F425 HydrophobicContact CG1-CD2 3.91Å; V349-F425 HydrophobicContact CG1-CE1 4.19Å; V349-F425 HydrophobicContact CG1-CE2 3.89Å; V349-F425 HydrophobicContact CG1-CG 4.07Å; V349-F425 HydrophobicContact CG1-CZ 4.04Å; V349-F425 HydrophobicContact CG2-CD2 4.41Å; V349-F425 HydrophobicContact CG2-CE2 3.75Å; V349-F425 HydrophobicContact CG2-CZ 4.08Å; V349-Y428 HydrophobicContact CG1-CG 4.07Å; V349-S430 WeakPolarHBondContact CA-O 3.35Å; V349-V431 HydrophobicContact CG1-CG2 4.41Å; V349-V431 HydrophobicContact CG2-CG1 4.47Å; V349-V431 HydrophobicContact CG2-CG2 4.4Å
350	H	98	Very high	95.2	Very high	55 Å²	55	27.2 Å²	27.2	26%	0.255	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	107.8	166.3	-176.9	-111.2	0	0	0	108.4	M80 K406 V407 Y428 D429 S430	M80-H350 HydrophobicContact SD-CB 4.14Å; H350-K406 WeakPolarHBondContact CA-O 3.26Å; H350-V407 HydrophobicContact CB-CG2 4.41Å; H350-Y428 VanDerWaalsContact O-CA 3.25Å; H350-Y428 WeakPolarHBondContact O-CA 3.13Å; H350-Y428 WeakPolarHBondContact O-CB 3.33Å; H350-D429 IonicContact CE1-OD1 2.89Å; H350-D429 IonicContact CE1-OD2 3.04Å; H350-D429 PolarHBondContact CE1-OD2 2.87Å; H350-D429 IonicContact CG-OD1 2.96Å; H350-D429 VanDerWaalsContact ND1-CG 3.26Å; H350-D429 IonicContact ND1-OD1 3.67Å; H350-D429 PolarHBondContact ND1-OD1 3.38Å; H350-D429 IonicContact ND1-OD2 3.32Å; H350-D429 PolarHBondContact ND1-OD2 3.18Å; H350-D429 PolarHBondContact O-N 3.15Å; H350-D429 VanDerWaalsContact O-N 3.08Å; H350-S430 PolarHBondContact N-O 2.91Å
351	G	97.3	Very high	95.2	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	176.2	-171.4	0	0	0	0	0	115.5	P405 K406 W408 S427	G351-P405 WeakPolarHBondContact O-CA 3.4Å; G351-K406 PolarHBondContact N-O 3.23Å; G351-K406 PolarHBondContact O-N 2.91Å; G351-K406 VanDerWaalsContact O-N 3.12Å; G351-W408 PolarHBondContact O-NE1 3.4Å; G351-S427 CarbonylContact C-O 3.59Å; G351-S427 WeakPolarHBondContact CA-O 3.46Å
352	T	97.9	Very high	95.2	Very high	17 Å²	17	28.5 Å²	28.5	10%	0.104	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.8	179.1	-50.7	0	0	0	0	109.4	A402 F425 L426 S427	T352-A402 WeakPolarHBondContact CG2-O 3.47Å; T352-F425 CarbonylContact O-C 3.43Å; T352-F425 WeakPolarHBondContact O-CA 3.46Å; T352-L426 HydrophobicContact CG2-CD1 4.35Å; T352-L426 PolarHBondContact O-N 3.13Å; T352-S427 PolarHBondContact N-O 3.12Å; T352-S427 PolarHBondContact OG1-OG 3.04Å
353	L	97.8	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	135.3	-176.3	-175.7	73.2	0	0	0	110.9	V355 L358 F367 L385 A402 W408 M424 F425	L353-V355 HydrophobicContact CD2-CG1 4.2Å; L353-V355 PolarHBondContact O-N 3.13Å; L353-L358 HydrophobicContact CD2-CD1 4.05Å; L353-F367 HydrophobicContact CD2-CE1 4.37Å; L353-L385 HydrophobicContact CD1-CD1 4.34Å; L353-L385 HydrophobicContact CD1-CD2 3.58Å; L353-L385 HydrophobicContact CD2-CD2 4.27Å; L353-A402 HydrophobicContact CB-CB 4.25Å; L353-A402 HydrophobicContact CD2-CB 4.4Å; L353-A402 PolarHBondContact N-O 3.27Å; L353-W408 HydrophobicContact CB-CH2 4.13Å; L353-W408 HydrophobicContact CB-CZ2 3.47Å; L353-W408 VanDerWaalsContact CB-CZ2 3.47Å; L353-W408 HydrophobicContact CD2-CH2 3.51Å; L353-W408 HydrophobicContact CD2-CZ2 3.8Å; L353-W408 HydrophobicContact CD2-CZ3 3.98Å; L353-W408 HydrophobicContact CG-CH2 4.32Å; L353-W408 HydrophobicContact CG-CZ2 4.14Å; L353-M424 VanDerWaalsContact CD1-O 3.27Å; L353-M424 WeakPolarHBondContact CD1-O 3.34Å; L353-F425 HydrophobicContact CD1-CD1 4.31Å; L353-F425 HydrophobicContact CD1-CE1 3.99Å
354	N	96.8	Very high	95.5	Very high	31 Å²	31	26.9 Å²	26.9	17%	0.166	18%	0.181	C	C	.	.			trans	-81.6	90	166.5	-178.8	13.7	0	0	0	109.6	S356 Y357 Q423 M424 L426	N354-S356 VanDerWaalsContact CG-OG 3.31Å; N354-S356 PolarHBondContact ND2-OG 2.78Å; N354-S356 PolarHBondContact O-N 2.91Å; N354-S356 VanDerWaalsContact O-N 3.09Å; N354-S356 WeakPolarHBondContact OD1-CB 3.49Å; N354-S356 PolarHBondContact OD1-N 3.24Å; N354-S356 PolarHBondContact OD1-OG 3Å; N354-Y357 WeakPolarHBondContact O-CB 3.29Å; N354-Y357 PolarHBondContact O-N 3.11Å; N354-Q423 PolarHBondContact ND2-O 3.5Å; N354-M424 WeakPolarHBondContact CB-O 3.38Å; N354-M424 PolarHBondContact N-O 2.83Å; N354-L426 HydrophobicContact CB-CD2 3.76Å; N354-L426 HydrophobicContact CB-CG 3.83Å
355	V	96.4	Very high	95.6	Very high	18 Å²	18	30 Å²	30	11%	0.109	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-60	-22.8	-179	-62	0	0	0	0	113.4	L353 Y357 L358 T360 A364 F367 A402	L353-V355 HydrophobicContact CD2-CG1 4.2Å; L353-V355 PolarHBondContact O-N 3.13Å; V355-Y357 PolarHBondContact O-N 3.13Å; V355-L358 WeakPolarHBondContact O-CB 3.4Å; V355-L358 PolarHBondContact O-N 3.42Å; V355-T360 HydrophobicContact CB-CG2 3.93Å; V355-T360 HydrophobicContact CG2-CG2 4.47Å; V355-T360 WeakPolarHBondContact O-CG2 3.43Å; V355-A364 HydrophobicContact CG1-CB 4.03Å; V355-A364 HydrophobicContact CG2-CB 3.96Å; V355-F367 HydrophobicContact CG1-CB 4.18Å; V355-F367 HydrophobicContact CG1-CD1 4.15Å; V355-F367 HydrophobicContact CG1-CD2 4.5Å; V355-F367 HydrophobicContact CG1-CG 4.01Å; V355-A402 HydrophobicContact CG1-CB 3.79Å
356	S	94.9	Very high	95.4	Very high	78 Å²	78	36.1 Å²	36.1	55%	0.545	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-65.4	-22.7	174.1	75.7	0	0	0	0	113.4	N354 L358 G359	N354-S356 VanDerWaalsContact CG-OG 3.31Å; N354-S356 PolarHBondContact ND2-OG 2.78Å; N354-S356 PolarHBondContact O-N 2.91Å; N354-S356 VanDerWaalsContact O-N 3.09Å; N354-S356 WeakPolarHBondContact OD1-CB 3.49Å; N354-S356 PolarHBondContact OD1-N 3.24Å; N354-S356 PolarHBondContact OD1-OG 3Å; S356-L358 PolarHBondContact O-N 2.82Å; S356-G359 PolarHBondContact O-N 2.97Å
357	Y	94.8	Very high	95.2	Very high	48 Å²	48	36.1 Å²	36.1	19%	0.188	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-57.8	-31.7	170	174.2	-104.2	0	0	0	111.8	F121 N354 V355 G359 I382 Q423 M424	F121-Y357 AromaticContact CE1-CE1 3.86Å; F121-Y357 HydrophobicContact CE1-CE1 3.86Å; F121-Y357 HydrophobicContact CZ-CE1 4.25Å; F121-Y357 WeakPolarHBondContact CZ-O 3.23Å; N354-Y357 WeakPolarHBondContact O-CB 3.29Å; N354-Y357 PolarHBondContact O-N 3.11Å; V355-Y357 PolarHBondContact O-N 3.13Å; Y357-G359 VanDerWaalsContact C-N 3.3Å; Y357-I382 HydrophobicContact CE1-CD1 4.46Å; Y357-Q423 HydrophobicContact CD2-CB 4.17Å; Y357-Q423 HydrophobicContact CE2-CB 4.42Å; Y357-M424 HydrophobicContact CD1-CG 3.88Å; Y357-M424 HydrophobicContact CD2-CG 4.19Å; Y357-M424 HydrophobicContact CE1-CG 3.67Å; Y357-M424 HydrophobicContact CE1-SD 4.29Å; Y357-M424 HydrophobicContact CE2-CG 3.99Å; Y357-M424 HydrophobicContact CG-CG 4.15Å
358	L	95.2	Very high	94.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-86.4	0.9	-180	-55.2	175.9	0	0	0	113	F121 E125 L126 L353 V355 S356 T360 F367 I372 L385	F121-L358 HydrophobicContact CD1-CD2 4.46Å; F121-L358 HydrophobicContact CD2-CD2 4.29Å; F121-L358 HydrophobicContact CE2-CD2 4.49Å; F121-L358 HydrophobicContact CG-CD2 4.27Å; E125-L358 CarbonylContact C-O 3.48Å; E125-L358 WeakPolarHBondContact CA-O 3.47Å; L126-L358 HydrophobicContact CD1-CB 4.48Å; L126-L358 HydrophobicContact CD2-CB 4.1Å; L126-L358 HydrophobicContact CG-CB 4.17Å; L126-L358 PolarHBondContact N-O 3.31Å; L353-L358 HydrophobicContact CD2-CD1 4.05Å; V355-L358 WeakPolarHBondContact O-CB 3.4Å; V355-L358 PolarHBondContact O-N 3.42Å; S356-L358 PolarHBondContact O-N 2.82Å; L358-T360 HydrophobicContact CB-CG2 4.43Å; L358-T360 PolarHBondContact O-N 3.08Å; L358-F367 HydrophobicContact CD1-CE1 4.12Å; L358-F367 HydrophobicContact CD1-CE2 4.23Å; L358-F367 HydrophobicContact CD1-CZ 3.58Å; L358-I372 HydrophobicContact CD1-CD1 3.49Å; L358-I372 VanDerWaalsContact CD1-CD1 3.49Å; L358-I372 HydrophobicContact CD1-CG1 4.48Å; L358-I372 HydrophobicContact CD2-CD1 4.15Å; L358-I372 HydrophobicContact CD2-CG2 4.17Å; L358-I372 HydrophobicContact CG-CD1 4.47Å; L358-L385 HydrophobicContact CD2-CD2 4.29Å
359	G	93.8	Very high	94.7	Very high	42 Å²	42	39.2 Å²	39.2	43%	0.433	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	15.1	-178	0	0	0	0	0	114.7	K124 S356 Y357	K124-G359 WeakPolarHBondContact O-CA 3.46Å; S356-G359 PolarHBondContact O-N 2.97Å; Y357-G359 VanDerWaalsContact C-N 3.3Å
360	T	91.5	Very high	94.6	Very high	32 Å²	32	39.2 Å²	39.2	20%	0.196	25%	0.251	C	S	.	.			trans	-84.5	146.1	176.4	-176.3	0	0	0	0	111.7	V355 L358 E362 F367	V355-T360 HydrophobicContact CB-CG2 3.93Å; V355-T360 HydrophobicContact CG2-CG2 4.47Å; V355-T360 WeakPolarHBondContact O-CG2 3.43Å; L358-T360 HydrophobicContact CB-CG2 4.43Å; L358-T360 PolarHBondContact O-N 3.08Å; T360-E362 WeakPolarHBondContact OG1-CB 3.45Å; T360-E362 PolarHBondContact OG1-N 3.41Å; T360-E362 VanDerWaalsContact OG1-N 3.09Å; T360-F367 HydrophobicContact CG2-CD2 4.13Å; T360-F367 HydrophobicContact CG2-CE2 4.13Å
361	A	88.9	Confident	94.5	Very high	107 Å²	107	40.7 Å²	40.7	88%	0.884	26%	0.258	S	S	*	.			trans	-92.2	-5.1	171.1	0	0	0	0	0	112.7
362	E	91.1	Very high	94.5	Very high	55 Å²	55	40.7 Å²	40.7	26%	0.257	26%	0.257	S	S	.	.	S	Bend	trans	-63.7	140.8	177.6	-168	-178.5	-171.9	0	0	110.9	T360 E366 F367	T360-E362 WeakPolarHBondContact OG1-CB 3.45Å; T360-E362 PolarHBondContact OG1-N 3.41Å; T360-E362 VanDerWaalsContact OG1-N 3.09Å; E362-E366 HydrophobicContact CG-CB 4.13Å; E362-F367 PolarHBondContact OE1-N 2.72Å; E362-F367 WeakPolarHBondContact OE2-CD2 3.4Å
363	A	93.7	Very high	94.4	Very high	47 Å²	47	40.4 Å²	40.4	39%	0.388	26%	0.255	S	S	.	.			trans	-66.5	137.5	175.3	0	0	0	0	0	110.3	S365 E366 F367	A363-S365 PolarHBondContact O-N 2.82Å; A363-E366 PolarHBondContact O-N 2.82Å; A363-F367 PolarHBondContact O-N 3.43Å
364	A	94.5	Very high	94.3	Very high	25 Å²	25	40.4 Å²	40.4	21%	0.207	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.7	179.3	0	0	0	0	0	113.9	V355 E366 A402 S403	V355-A364 HydrophobicContact CG1-CB 4.03Å; V355-A364 HydrophobicContact CG2-CB 3.96Å; A364-E366 VanDerWaalsContact C-N 3.35Å; A364-A402 CarbonylContact O-C 3.58Å; A364-A402 PolarHBondContact O-N 2.69Å; A364-S403 WeakPolarHBondContact O-CB 3.43Å; A364-S403 PolarHBondContact O-N 2.76Å; A364-S403 PolarHBondContact O-OG 2.82Å
365	S	95.4	Very high	94.1	Very high	73 Å²	73	39.6 Å²	39.6	51%	0.51	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-23.8	173.4	50.2	0	0	0	0	114	A363 P401 S403	A363-S365 PolarHBondContact O-N 2.82Å; S365-P401 WeakPolarHBondContact O-CB 3.49Å; S365-S403 WeakPolarHBondContact CA-OG 3.43Å
366	E	92.9	Very high	93.7	Very high	128 Å²	128	43 Å²	43	60%	0.598	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-25	-178.5	-62.6	177.7	170.1	0	0	111.3	E362 A363 A364 T368	E362-E366 HydrophobicContact CG-CB 4.13Å; A363-E366 PolarHBondContact O-N 2.82Å; A364-E366 VanDerWaalsContact C-N 3.35Å; E366-T368 WeakPolarHBondContact O-CG2 3.35Å; E366-T368 PolarHBondContact O-N 3.35Å
367	F	93.9	Very high	93.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.256	C	S	.	.			trans	-62.8	106.7	178	-167.4	-87.3	0	0	0	112.2	L126 L353 V355 L358 T360 E362 A363 V369 I372 A402	L126-F367 HydrophobicContact CD1-CE2 3.83Å; L126-F367 HydrophobicContact CD1-CZ 4.26Å; L353-F367 HydrophobicContact CD2-CE1 4.37Å; V355-F367 HydrophobicContact CG1-CB 4.18Å; V355-F367 HydrophobicContact CG1-CD1 4.15Å; V355-F367 HydrophobicContact CG1-CD2 4.5Å; V355-F367 HydrophobicContact CG1-CG 4.01Å; L358-F367 HydrophobicContact CD1-CE1 4.12Å; L358-F367 HydrophobicContact CD1-CE2 4.23Å; L358-F367 HydrophobicContact CD1-CZ 3.58Å; T360-F367 HydrophobicContact CG2-CD2 4.13Å; T360-F367 HydrophobicContact CG2-CE2 4.13Å; E362-F367 PolarHBondContact OE1-N 2.72Å; E362-F367 WeakPolarHBondContact OE2-CD2 3.4Å; A363-F367 PolarHBondContact O-N 3.43Å; F367-V369 HydrophobicContact CD1-CB 4.42Å; F367-V369 HydrophobicContact CE1-CB 3.67Å; F367-V369 HydrophobicContact CE1-CG2 4.3Å; F367-V369 HydrophobicContact CE2-CB 4.27Å; F367-V369 HydrophobicContact CE2-CG2 4.03Å; F367-V369 HydrophobicContact CZ-CB 3.57Å; F367-V369 HydrophobicContact CZ-CG1 4.34Å; F367-V369 HydrophobicContact CZ-CG2 3.85Å; F367-I372 HydrophobicContact CE1-CD1 4.31Å; F367-I372 HydrophobicContact CZ-CD1 4.25Å; F367-A402 HydrophobicContact CB-CB 4.16Å; F367-A402 HydrophobicContact CD1-CB 3.79Å; F367-A402 HydrophobicContact CG-CB 4.37Å; F367-A402 PolarHBondContact O-N 2.93Å
368	T	91.8	Very high	92.2	Very high	64 Å²	64	49.8 Å²	49.8	39%	0.393	30%	0.295	S	S	.	.			trans	-114.2	1.3	-174.9	46.9	0	0	0	0	114.1	K117 E366 S370	K117-T368 PolarHBondContact NZ-OG1 3.06Å; E366-T368 WeakPolarHBondContact O-CG2 3.35Å; E366-T368 PolarHBondContact O-N 3.35Å; T368-S370 PolarHBondContact O-N 3.14Å
369	V	94.7	Very high	91	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	32%	0.319	C	S	.	.			trans	-58	127.9	175.9	-179.7	0	0	0	0	110.1	K117 A119 E129 F367 I372	K117-V369 WeakPolarHBondContact O-CG1 3.38Å; A119-V369 HydrophobicContact CB-CG1 3.66Å; A119-V369 HydrophobicContact CB-CG2 4.29Å; E129-V369 HydrophobicContact CG-CG2 3.84Å; F367-V369 HydrophobicContact CD1-CB 4.42Å; F367-V369 HydrophobicContact CE1-CB 3.67Å; F367-V369 HydrophobicContact CE1-CG2 4.3Å; F367-V369 HydrophobicContact CE2-CB 4.27Å; F367-V369 HydrophobicContact CE2-CG2 4.03Å; F367-V369 HydrophobicContact CZ-CB 3.57Å; F367-V369 HydrophobicContact CZ-CG1 4.34Å; F367-V369 HydrophobicContact CZ-CG2 3.85Å; V369-I372 HydrophobicContact CG1-CG1 3.82Å
370	S	94.9	Very high	90.5	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.007	30%	0.303	C	S	.	.			trans	-104.7	-22.5	-178.9	57.1	0	0	0	0	112.9	S116 K117 T368 S386 S387	S116-S370 VanDerWaalsContact CA-OG 3.29Å; S116-S370 WeakPolarHBondContact CA-OG 3.38Å; S116-S370 WeakPolarHBondContact CB-OG 3.42Å; K117-S370 PolarHBondContact N-OG 3.5Å; K117-S370 VanDerWaalsContact N-OG 3.14Å; K117-S370 PolarHBondContact O-N 3.46Å; K117-S370 PolarHBondContact O-OG 2.86Å; T368-S370 PolarHBondContact O-N 3.14Å; S370-S386 CarbonylContact O-C 3.46Å; S370-S386 WeakPolarHBondContact O-CA 3.09Å; S370-S387 PolarHBondContact O-N 3.43Å
371	E	95.6	Very high	90.2	Very high	86 Å²	86	52 Å²	52	40%	0.402	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	107.2	-177.7	-63.1	-172.5	-173	0	0	111	K117 M118 A119 L373	K117-E371 PolarHBondContact O-N 3.3Å; M118-E371 CarbonylContact C-O 3.53Å; M118-E371 VanDerWaalsContact CA-O 3.24Å; M118-E371 WeakPolarHBondContact CA-O 3.36Å; M118-E371 HydrophobicContact CB-CB 4.36Å; A119-E371 PolarHBondContact N-O 3.35Å; E371-L373 HydrophobicContact CB-CD1 4.13Å
372	I	97	Very high	90.5	Very high	1 Å²	1	47 Å²	47	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	106.4	177.9	-56.9	154.6	0	0	0	107.9	A119 F121 L126 L358 F367 V369 S384 L385	A119-I372 WeakPolarHBondContact O-CA 3.22Å; F121-I372 HydrophobicContact CB-CG2 3.69Å; L126-I372 HydrophobicContact CD2-CG2 4.35Å; L358-I372 HydrophobicContact CD1-CD1 3.49Å; L358-I372 VanDerWaalsContact CD1-CD1 3.49Å; L358-I372 HydrophobicContact CD1-CG1 4.48Å; L358-I372 HydrophobicContact CD2-CD1 4.15Å; L358-I372 HydrophobicContact CD2-CG2 4.17Å; L358-I372 HydrophobicContact CG-CD1 4.47Å; F367-I372 HydrophobicContact CE1-CD1 4.31Å; F367-I372 HydrophobicContact CZ-CD1 4.25Å; V369-I372 HydrophobicContact CG1-CG1 3.82Å; I372-S384 CarbonylContact O-C 3.6Å; I372-S384 VanDerWaalsContact O-CA 3.29Å; I372-S384 WeakPolarHBondContact O-CA 3.35Å; I372-S384 WeakPolarHBondContact O-CB 3.49Å; I372-L385 WeakPolarHBondContact CA-O 3.46Å; I372-L385 HydrophobicContact CB-CB 4.26Å; I372-L385 VanDerWaalsContact CB-O 3.25Å; I372-L385 WeakPolarHBondContact CB-O 3.45Å; I372-L385 HydrophobicContact CD1-CB 4.44Å; I372-L385 HydrophobicContact CD1-CD2 3.69Å; I372-L385 HydrophobicContact CD1-CG 4.05Å; I372-L385 PolarHBondContact N-O 3.19Å; I372-L385 PolarHBondContact O-N 3.48Å
373	L	96.5	Very high	90.7	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.052	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	152	176.3	-67.4	66.6	0	0	0	108.9	M118 A119 I120 F121 P219 I220 V223 E371	M118-L373 HydrophobicContact CB-CD1 4.49Å; M118-L373 HydrophobicContact CE-CD1 4.15Å; M118-L373 HydrophobicContact CE-CD2 4.15Å; A119-L373 PolarHBondContact O-N 3.04Å; I120-L373 CarbonylContact C-O 3.58Å; I120-L373 WeakPolarHBondContact CA-O 3.42Å; F121-L373 PolarHBondContact N-O 3.23Å; P219-L373 HydrophobicContact CB-CB 3.74Å; P219-L373 HydrophobicContact CB-CD2 4.12Å; I220-L373 HydrophobicContact CG1-CD2 4.2Å; V223-L373 HydrophobicContact CB-CG 4.32Å; V223-L373 HydrophobicContact CG1-CD2 3.95Å; V223-L373 HydrophobicContact CG1-CG 4.07Å; E371-L373 HydrophobicContact CB-CD1 4.13Å
374	T	95.8	Very high	90.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.6	179.2	68.1	0	0	0	0	112.8	F121 P219 R222 I382 N383	F121-T374 HydrophobicContact CD1-CG2 4.18Å; F121-T374 VanDerWaalsContact O-CA 3.29Å; F121-T374 WeakPolarHBondContact O-CA 3.5Å; P219-T374 VanDerWaalsContact CA-O 3.31Å; P219-T374 WeakPolarHBondContact CA-O 3.29Å; R222-T374 VanDerWaalsContact CD-O 3.31Å; R222-T374 WeakPolarHBondContact CD-O 3.49Å; R222-T374 PolarHBondContact NE-O 2.8Å; R222-T374 VanDerWaalsContact NE-O 3.09Å; R222-T374 PolarHBondContact NE-OG1 2.74Å; R222-T374 PolarHBondContact NH2-OG1 3.24Å; T374-I382 WeakPolarHBondContact CB-O 3.48Å; T374-I382 HydrophobicContact CG2-CD1 4.44Å; T374-I382 HydrophobicContact CG2-CG1 3.84Å; T374-I382 WeakPolarHBondContact CG2-O 3.24Å; T374-I382 PolarHBondContact OG1-O 2.93Å; T374-N383 WeakPolarHBondContact OG1-CA 3.49Å; T374-N383 PolarHBondContact OG1-O 2.99Å; T374-N383 VanDerWaalsContact OG1-O 3.07Å
375	T	93.4	Very high	91	Very high	14 Å²	14	41.3 Å²	41.3	9%	0.086	24%	0.236	C	C	.	.			trans	-68	162.1	171.2	68.2	0	0	0	0	111.2	I120 F121 D122 P219 R222 S377 C380	I120-T375 HydrophobicContact CG2-CG2 3.7Å; F121-T375 PolarHBondContact O-N 3.35Å; D122-T375 WeakPolarHBondContact CA-OG1 3.42Å; D122-T375 HydrophobicContact CB-CG2 4.31Å; P219-T375 HydrophobicContact CG-CG2 4.21Å; R222-T375 PolarHBondContact NE-O 2.65Å; T375-S377 PolarHBondContact O-N 2.91Å; T375-C380 WeakPolarHBondContact O-CB 3.45Å; T375-C380 PolarHBondContact O-SG 3.26Å; T375-C380 VanDerWaalsContact O-SG 3.4Å
376	D	88.1	Confident	91	Very high	90 Å²	90	38.6 Å²	38.6	48%	0.481	22%	0.217	S	C	.	.	S	Bend	trans	-79.8	54	175	-158.7	28.5	0	0	0	111.8	A218 R222 S228	A218-D376 HydrophobicContact CB-CB 4.24Å; R222-D376 IonicContact CZ-OD1 2.73Å; R222-D376 IonicContact NH1-OD1 3.4Å; R222-D376 PolarHBondContact NH1-OD1 3.01Å; S228-D376 WeakPolarHBondContact CB-OD2 3.4Å
377	S	82.8	Confident	91.2	Very high	40 Å²	40	32.8 Å²	32.8	28%	0.28	19%	0.191	S	C	.	.			trans	-98.1	153.5	179.6	92.9	0	0	0	0	111.1	D122 T375 G379 C380	D122-S377 WeakPolarHBondContact O-CB 3.27Å; D122-S377 PolarHBondContact O-OG 3.3Å; T375-S377 PolarHBondContact O-N 2.91Å; S377-G379 PolarHBondContact O-N 3.34Å; S377-G379 VanDerWaalsContact O-N 3.11Å; S377-G379 PolarHBondContact OG-N 3.03Å; S377-C380 PolarHBondContact O-N 2.96Å; S377-C380 VanDerWaalsContact O-N 3.13Å; S377-C380 PolarHBondContact OG-N 2.81Å; S377-C380 PolarHBondContact OG-SG 3.21Å
378	K	75.1	Confident	91.4	Very high	228 Å²	228	33.9 Å²	33.9	99%	0.991	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-17.4	174.8	-70	-176.1	178.5	179.1	0	113.4
379	G	70.3	Confident	91.6	Very high	51 Å²	51	31.6 Å²	31.6	53%	0.526	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-17.9	177.9	0	0	0	0	0	113.8	S377 A381	S377-G379 PolarHBondContact O-N 3.34Å; S377-G379 VanDerWaalsContact O-N 3.11Å; S377-G379 PolarHBondContact OG-N 3.03Å; G379-A381 PolarHBondContact O-N 2.9Å
380	C	82.4	Confident	91.8	Very high	14 Å²	14	31.6 Å²	31.6	10%	0.095	18%	0.181	C	C	.	.			trans	-86.8	92.5	-175.7	-69.1	0	0	0	0	112	D122 G123 T375 S377 I382	D122-C380 PolarHBondContact O-SG 2.92Å; D122-C380 VanDerWaalsContact O-SG 3.39Å; G123-C380 PolarHBondContact N-SG 3.27Å; T375-C380 WeakPolarHBondContact O-CB 3.45Å; T375-C380 PolarHBondContact O-SG 3.26Å; T375-C380 VanDerWaalsContact O-SG 3.4Å; S377-C380 PolarHBondContact O-N 2.96Å; S377-C380 VanDerWaalsContact O-N 3.13Å; S377-C380 PolarHBondContact OG-N 2.81Å; S377-C380 PolarHBondContact OG-SG 3.21Å; C380-I382 PolarHBondContact O-N 2.94Å
381	A	85.6	Confident	91.9	Very high	56 Å²	56	31.9 Å²	31.9	46%	0.463	18%	0.183	S	C	.	.			trans	-71.9	-16.3	175.7	0	0	0	0	0	114	G379	G379-A381 PolarHBondContact O-N 2.9Å
382	I	94.8	Very high	92	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.015	19%	0.188	C	C	.	.	S	Bend	trans	-117.3	152.7	-179.1	69.3	177.3	0	0	0	110	R222 Y357 T374 C380 L385 V410 F411 L416 M424	R222-I382 PolarHBondContact NH2-O 3.15Å; Y357-I382 HydrophobicContact CE1-CD1 4.46Å; T374-I382 WeakPolarHBondContact CB-O 3.48Å; T374-I382 HydrophobicContact CG2-CD1 4.44Å; T374-I382 HydrophobicContact CG2-CG1 3.84Å; T374-I382 WeakPolarHBondContact CG2-O 3.24Å; T374-I382 PolarHBondContact OG1-O 2.93Å; C380-I382 PolarHBondContact O-N 2.94Å; I382-L385 HydrophobicContact CD1-CB 3.89Å; I382-V410 HydrophobicContact CB-CG1 3.84Å; I382-V410 HydrophobicContact CD1-CG1 4.1Å; I382-V410 HydrophobicContact CG2-CG1 3.54Å; I382-F411 CarbonylContact C-O 3.48Å; I382-L416 HydrophobicContact CG2-CD2 4.09Å; I382-M424 HydrophobicContact CD1-SD 4.08Å; I382-M424 HydrophobicContact CG2-CE 4.38Å; I382-M424 HydrophobicContact CG2-SD 4.2Å
383	N	95	Very high	92.1	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.032	19%	0.19	C	C	.	.	S	Bend	trans	-84.1	-31.3	175.4	-63.7	-28.3	0	0	0	111.9	R222 T374 F411	R222-N383 PolarHBondContact NH2-OD1 3.31Å; T374-N383 WeakPolarHBondContact OG1-CA 3.49Å; T374-N383 PolarHBondContact OG1-O 2.99Å; T374-N383 VanDerWaalsContact OG1-O 3.07Å; N383-F411 HydrophobicContact CB-CB 4.09Å; N383-F411 WeakPolarHBondContact CB-O 3.29Å; N383-F411 PolarHBondContact N-O 3.15Å
384	S	96.6	Very high	92.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	164.1	173.2	54.6	0	0	0	0	111.6	I372 V410 F411	I372-S384 CarbonylContact O-C 3.6Å; I372-S384 VanDerWaalsContact O-CA 3.29Å; I372-S384 WeakPolarHBondContact O-CA 3.35Å; I372-S384 WeakPolarHBondContact O-CB 3.49Å; S384-V410 WeakPolarHBondContact O-CA 3.44Å; S384-F411 PolarHBondContact N-O 2.84Å; S384-F411 PolarHBondContact O-N 3.16Å; S384-F411 WeakPolarHBondContact OG-CD2 3.46Å
385	L	97.6	Very high	92	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	119	171.2	167.7	69.6	0	0	0	108.1	L353 L358 I372 I382 W408 K409 V410 F425	L353-L385 HydrophobicContact CD1-CD1 4.34Å; L353-L385 HydrophobicContact CD1-CD2 3.58Å; L353-L385 HydrophobicContact CD2-CD2 4.27Å; L358-L385 HydrophobicContact CD2-CD2 4.29Å; I372-L385 WeakPolarHBondContact CA-O 3.46Å; I372-L385 HydrophobicContact CB-CB 4.26Å; I372-L385 VanDerWaalsContact CB-O 3.25Å; I372-L385 WeakPolarHBondContact CB-O 3.45Å; I372-L385 HydrophobicContact CD1-CB 4.44Å; I372-L385 HydrophobicContact CD1-CD2 3.69Å; I372-L385 HydrophobicContact CD1-CG 4.05Å; I372-L385 PolarHBondContact N-O 3.19Å; I372-L385 PolarHBondContact O-N 3.48Å; I382-L385 HydrophobicContact CD1-CB 3.89Å; L385-W408 HydrophobicContact CD1-CB 4.24Å; L385-W408 HydrophobicContact CD1-CD2 4.41Å; L385-W408 HydrophobicContact CD1-CE3 3.87Å; L385-W408 HydrophobicContact CG-CE3 4.11Å; L385-W408 HydrophobicContact CG-CZ3 4.44Å; L385-K409 CarbonylContact C-O 3.57Å; L385-K409 WeakPolarHBondContact CA-O 3.44Å; L385-V410 HydrophobicContact CD1-CG2 3.74Å; L385-F425 HydrophobicContact CD1-CZ 4.13Å
386	S	97.2	Very high	92.1	Very high	16 Å²	16	44.1 Å²	44.1	11%	0.112	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137	-175.9	-52.2	0	0	0	0	111.7	S370 W408 K409	S370-S386 CarbonylContact O-C 3.46Å; S370-S386 WeakPolarHBondContact O-CA 3.09Å; S386-W408 CarbonylContact O-C 3.53Å; S386-W408 VanDerWaalsContact O-CA 3.29Å; S386-W408 WeakPolarHBondContact O-CA 3.01Å; S386-K409 PolarHBondContact N-O 3.31Å; S386-K409 PolarHBondContact O-N 3.12Å
387	S	97.2	Very high	92.4	Very high	7 Å²	7	42.3 Å²	42.3	5%	0.049	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.7	166.1	-175.4	0	0	0	0	108.4	S370 R399 K406	S370-S387 PolarHBondContact O-N 3.43Å; S387-R399 WeakPolarHBondContact OG-CD 3.44Å; S387-K406 VanDerWaalsContact OG-CD 3.31Å; S387-K406 WeakPolarHBondContact OG-CD 3.11Å; S387-K406 WeakPolarHBondContact OG-CE 3.37Å; S387-K406 PolarHBondContact OG-NZ 2.78Å
388	L	96.8	Very high	93	Very high	22 Å²	22	48.4 Å²	48.4	12%	0.115	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-94.2	144.4	-179.2	-64.5	-167.9	0	0	0	112.5	Y85 L348 V407 K409	Y85-L388 HydrophobicContact CD1-CB 3.72Å; Y85-L388 HydrophobicContact CD1-CD1 4.49Å; Y85-L388 HydrophobicContact CE1-CB 4.35Å; L348-L388 HydrophobicContact CD1-CD1 4.39Å; L348-L388 HydrophobicContact CD2-CD1 4.48Å; L348-L388 HydrophobicContact CG-CD1 4.28Å; L388-V407 HydrophobicContact CB-CG1 4.38Å; L388-V407 PolarHBondContact N-O 2.84Å; L388-K409 HydrophobicContact CD1-CB 3.67Å; L388-K409 HydrophobicContact CD1-CD 4.18Å; L388-K409 HydrophobicContact CD2-CB 3.99Å; L388-K409 HydrophobicContact CG-CB 3.71Å
389	D	96.9	Very high	93.9	Very high	16 Å²	16	39.5 Å²	39.5	9%	0.086	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-98.8	151.4	166.8	-43.2	-62.7	0	0	0	110.5	Y85 R111 V114 I393 Y397 R399	Y85-D389 WeakPolarHBondContact CD1-O 3.36Å; R111-D389 PolarHBondContact NH1-O 2.84Å; V114-D389 HydrophobicContact CG2-CB 4.39Å; D389-I393 HydrophobicContact CB-CD1 3.72Å; D389-Y397 HydrophobicContact CB-CE1 4.06Å; D389-Y397 PolarHBondContact OD1-OH 2.69Å; D389-R399 IonicContact OD1-CZ 3.62Å; D389-R399 VanDerWaalsContact OD1-CZ 3.26Å; D389-R399 IonicContact OD1-NE 3.64Å; D389-R399 PolarHBondContact OD1-NE 2.96Å; D389-R399 IonicContact OD1-NH2 2.69Å; D389-R399 PolarHBondContact OD1-NH2 3.29Å; D389-R399 VanDerWaalsContact OD1-NH2 3.09Å; D389-R399 IonicContact OD2-CZ 2.72Å; D389-R399 IonicContact OD2-NE 3.69Å; D389-R399 IonicContact OD2-NH2 2.87Å; D389-R399 PolarHBondContact OD2-NH2 3.04Å
390	P	97.8	Very high	95	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-50.1	146.9	172.4	-30.7	38.7	0	0	0	112.8	Y83 E84 Y85 R111 H392 I393 Y397	Y83-P390 HydrophobicContact CD1-CB 4.11Å; Y83-P390 HydrophobicContact CD1-CG 4.02Å; Y83-P390 HydrophobicContact CD2-CG 4.01Å; Y83-P390 HydrophobicContact CG-CB 4.06Å; Y83-P390 HydrophobicContact CG-CG 3.69Å; E84-P390 CarbonylContact O-C 3.52Å; E84-P390 WeakPolarHBondContact O-CA 3.17Å; Y85-P390 HydrophobicContact CE1-CG 4.04Å; R111-P390 WeakPolarHBondContact CD-O 3.44Å; R111-P390 PolarHBondContact NH1-O 2.98Å; P390-H392 WeakPolarHBondContact CB-O 3.46Å; P390-H392 PolarHBondContact O-N 2.84Å; P390-I393 VanDerWaalsContact O-CD1 3.22Å; P390-I393 WeakPolarHBondContact O-CD1 3.49Å; P390-Y397 HydrophobicContact CG-CE2 4.19Å
391	V	97.8	Very high	95.6	Very high	8 Å²	8	40 Å²	40	5%	0.048	23%	0.233	C	C	.	.	S	Bend	trans	-66.2	-22.2	174.5	-63.5	0	0	0	0	113	T77 E84 E86 R111 G252	T77-V391 HydrophobicContact CG2-CG1 3.82Å; E84-V391 HydrophobicContact CB-CG2 3.66Å; E84-V391 WeakPolarHBondContact O-CG2 3.3Å; E84-V391 PolarHBondContact O-N 2.96Å; E86-V391 HydrophobicContact CG-CG1 3.81Å; R111-V391 WeakPolarHBondContact CD-O 3.31Å; R111-V391 WeakPolarHBondContact CG-O 3.33Å; G252-V391 PolarHBondContact N-O 3.43Å
392	H	97.9	Very high	96.1	Very high	106 Å²	106	37.4 Å²	37.4	49%	0.491	21%	0.211	S	C	.	.	S	Bend	trans	-120.3	117.5	167.8	174.7	73	0	0	0	108.1	D251 P390 P394	D251-H392 VanDerWaalsContact CG-ND1 3.31Å; D251-H392 WeakPolarHBondContact OD1-CA 3.37Å; D251-H392 IonicContact OD1-CE1 3.61Å; D251-H392 IonicContact OD1-CG 3.88Å; D251-H392 IonicContact OD1-ND1 3.68Å; D251-H392 PolarHBondContact OD1-ND1 3.4Å; D251-H392 IonicContact OD2-CE1 3.65Å; D251-H392 IonicContact OD2-ND1 2.85Å; D251-H392 PolarHBondContact OD2-ND1 3.23Å; P390-H392 WeakPolarHBondContact CB-O 3.46Å; P390-H392 PolarHBondContact O-N 2.84Å; H392-P394 VanDerWaalsContact O-CD 3.25Å; H392-P394 WeakPolarHBondContact O-CD 3.39Å
393	I	97.8	Very high	96.2	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.046	22%	0.223	C	C	.	.			trans	-82.2	114.4	-173.9	-58.3	-59.2	0	0	0	109.8	R111 K112 V114 D389 P390 Y397	R111-I393 HydrophobicContact CG-CD1 4.42Å; R111-I393 HydrophobicContact CG-CG1 3.72Å; K112-I393 HydrophobicContact CB-CB 4.07Å; K112-I393 HydrophobicContact CB-CG1 4.23Å; K112-I393 HydrophobicContact CB-CG2 4.34Å; K112-I393 WeakPolarHBondContact O-CG1 3.39Å; V114-I393 HydrophobicContact CG2-CD1 3.69Å; V114-I393 HydrophobicContact CG2-CG1 4.07Å; V114-I393 HydrophobicContact CG2-CG2 4.22Å; D389-I393 HydrophobicContact CB-CD1 3.72Å; P390-I393 VanDerWaalsContact O-CD1 3.22Å; P390-I393 WeakPolarHBondContact O-CD1 3.49Å; I393-Y397 HydrophobicContact CD1-CD1 4.41Å; I393-Y397 HydrophobicContact CG2-CD1 3.98Å; I393-Y397 HydrophobicContact CG2-CG 4.19Å
394	P	96.4	Very high	96.2	Very high	30 Å²	30	43.9 Å²	43.9	20%	0.195	25%	0.245	C	C	.	.			trans	-61.5	154.8	176.9	-21	33.8	0	0	0	112.3	Y83 H392 G396 Y397	Y83-P394 HydrophobicContact CD1-CG 4.19Å; Y83-P394 HydrophobicContact CE1-CG 3.35Å; H392-P394 VanDerWaalsContact O-CD 3.25Å; H392-P394 WeakPolarHBondContact O-CD 3.39Å; P394-G396 PolarHBondContact O-N 3.49Å; P394-Y397 WeakPolarHBondContact O-CB 3.39Å; P394-Y397 PolarHBondContact O-N 2.73Å; P394-Y397 VanDerWaalsContact O-N 3.15Å
395	D	95.3	Very high	96.2	Very high	144 Å²	144	47.2 Å²	47.2	77%	0.77	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	131.4	174	-69.2	-30.6	0	0	0	110.8	K112 Y397	K112-D395 IonicContact NZ-OD1 2.71Å; K112-D395 PolarHBondContact NZ-OD1 2.85Å; D395-Y397 VanDerWaalsContact C-N 3.28Å; D395-Y397 PolarHBondContact O-N 3.39Å
396	G	94	Very high	96.1	Very high	79 Å²	79	47.7 Å²	47.7	81%	0.814	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	12.2	-175.7	0	0	0	0	0	114.8	P394 E398	P394-G396 PolarHBondContact O-N 3.49Å; G396-E398 PolarHBondContact O-N 3.29Å
397	Y	95.9	Very high	96.1	Very high	52 Å²	52	47 Å²	47	20%	0.204	26%	0.264	C	S	.	.			trans	-65.3	125	176.6	179.6	-97.4	0	0	0	111.8	V114 D389 P390 I393 P394 D395 R399	V114-Y397 HydrophobicContact CG1-CE1 4.26Å; V114-Y397 HydrophobicContact CG2-CD1 4.15Å; V114-Y397 HydrophobicContact CG2-CE1 4.27Å; D389-Y397 HydrophobicContact CB-CE1 4.06Å; D389-Y397 PolarHBondContact OD1-OH 2.69Å; P390-Y397 HydrophobicContact CG-CE2 4.19Å; I393-Y397 HydrophobicContact CD1-CD1 4.41Å; I393-Y397 HydrophobicContact CG2-CD1 3.98Å; I393-Y397 HydrophobicContact CG2-CG 4.19Å; P394-Y397 WeakPolarHBondContact O-CB 3.39Å; P394-Y397 PolarHBondContact O-N 2.73Å; P394-Y397 VanDerWaalsContact O-N 3.15Å; D395-Y397 VanDerWaalsContact C-N 3.28Å; D395-Y397 PolarHBondContact O-N 3.39Å; Y397-R399 HydrophobicContact CE1-CB 4.49Å
398	E	94	Very high	96.2	Very high	168 Å²	168	46.7 Å²	46.7	79%	0.785	26%	0.262	S	S	*	.			trans	-123.8	134.8	167.8	-68	-177.1	177.6	0	0	108.5	G396 P400	G396-E398 PolarHBondContact O-N 3.29Å; E398-P400 VanDerWaalsContact O-CD 3.28Å; E398-P400 WeakPolarHBondContact O-CD 3.38Å
399	R	94.6	Very high	96.3	Very high	42 Å²	42	46.2 Å²	46.2	16%	0.158	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-65.9	121.7	-179.8	-171.6	-176.6	-61.9	120.5	1.4	109.1	V114 P115 S387 D389 Y397	V114-R399 HydrophobicContact CG1-CB 4.28Å; V114-R399 VanDerWaalsContact CG1-NH2 3.33Å; V114-R399 PolarHBondContact O-NH2 3.06Å; P115-R399 PolarHBondContact O-NH1 3.13Å; S387-R399 WeakPolarHBondContact OG-CD 3.44Å; D389-R399 IonicContact OD1-CZ 3.62Å; D389-R399 VanDerWaalsContact OD1-CZ 3.26Å; D389-R399 IonicContact OD1-NE 3.64Å; D389-R399 PolarHBondContact OD1-NE 2.96Å; D389-R399 IonicContact OD1-NH2 2.69Å; D389-R399 PolarHBondContact OD1-NH2 3.29Å; D389-R399 VanDerWaalsContact OD1-NH2 3.09Å; D389-R399 IonicContact OD2-CZ 2.72Å; D389-R399 IonicContact OD2-NE 3.69Å; D389-R399 IonicContact OD2-NH2 2.87Å; D389-R399 PolarHBondContact OD2-NH2 3.04Å; Y397-R399 HydrophobicContact CE1-CB 4.49Å
400	P	94.4	Very high	96.3	Very high	42 Å²	42	45.4 Å²	45.4	27%	0.273	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-64.2	150.2	-180	-21	32.5	0	0	0	111.9	E398 H404 K406	E398-P400 VanDerWaalsContact O-CD 3.28Å; E398-P400 WeakPolarHBondContact O-CD 3.38Å; P400-H404 HydrophobicContact CB-CB 3.92Å; P400-K406 HydrophobicContact CB-CD 4.34Å; P400-K406 WeakPolarHBondContact O-CD 3.13Å; P400-K406 WeakPolarHBondContact O-CE 3.47Å; P400-K406 PolarHBondContact O-NZ 2.64Å
401	P	94.9	Very high	96.3	Very high	34 Å²	34	46.7 Å²	46.7	22%	0.221	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-66.1	167.1	171.3	29.5	-35	0	0	0	111.3	S365 S403 H404	S365-P401 WeakPolarHBondContact O-CB 3.49Å; P401-S403 PolarHBondContact O-N 2.69Å; P401-S403 VanDerWaalsContact O-N 3.13Å; P401-H404 PolarHBondContact O-N 2.72Å; P401-H404 VanDerWaalsContact O-N 3.12Å
402	A	95.4	Very high	96.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-22.1	-175.2	0	0	0	0	0	115.3	T352 L353 V355 A364 F367 H404 W408	T352-A402 WeakPolarHBondContact CG2-O 3.47Å; L353-A402 HydrophobicContact CB-CB 4.25Å; L353-A402 HydrophobicContact CD2-CB 4.4Å; L353-A402 PolarHBondContact N-O 3.27Å; V355-A402 HydrophobicContact CG1-CB 3.79Å; A364-A402 CarbonylContact O-C 3.58Å; A364-A402 PolarHBondContact O-N 2.69Å; F367-A402 HydrophobicContact CB-CB 4.16Å; F367-A402 HydrophobicContact CD1-CB 3.79Å; F367-A402 HydrophobicContact CG-CB 4.37Å; F367-A402 PolarHBondContact O-N 2.93Å; A402-H404 PolarHBondContact O-N 3.5Å; A402-W408 HydrophobicContact CB-CH2 4.44Å; A402-W408 HydrophobicContact CB-CZ2 4.19Å
403	S	95.6	Very high	96	Very high	41 Å²	41	43.6 Å²	43.6	29%	0.287	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.8	174.9	54	0	0	0	0	114.7	A364 S365 P401	A364-S403 WeakPolarHBondContact O-CB 3.43Å; A364-S403 PolarHBondContact O-N 2.76Å; A364-S403 PolarHBondContact O-OG 2.82Å; S365-S403 WeakPolarHBondContact CA-OG 3.43Å; P401-S403 PolarHBondContact O-N 2.69Å; P401-S403 VanDerWaalsContact O-N 3.13Å
404	H	96	Very high	95.8	Very high	105 Å²	105	49 Å²	49	49%	0.486	28%	0.275	S	S	.	.	S	Bend	trans	-106.5	146.2	179.7	-69.1	67.5	0	0	0	110.7	P400 P401 A402 K406	P400-H404 HydrophobicContact CB-CB 3.92Å; P401-H404 PolarHBondContact O-N 2.72Å; P401-H404 VanDerWaalsContact O-N 3.12Å; A402-H404 PolarHBondContact O-N 3.5Å; H404-K406 PolarHBondContact O-N 2.86Å
405	P	95.9	Very high	95.8	Very high	69 Å²	69	50.5 Å²	50.5	45%	0.448	29%	0.285	S	S	.	.			trans	-58.2	129.6	171.1	-22.1	32.2	0	0	0	111.1	G351	G351-P405 WeakPolarHBondContact O-CA 3.4Å
406	K	96.3	Very high	95.9	Very high	11 Å²	11	44.1 Å²	44.1	5%	0.048	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	174.2	173.6	62.3	-174.2	178.9	169.2	0	110.2	H350 G351 S387 P400 H404 W408	H350-K406 WeakPolarHBondContact CA-O 3.26Å; G351-K406 PolarHBondContact N-O 3.23Å; G351-K406 PolarHBondContact O-N 2.91Å; G351-K406 VanDerWaalsContact O-N 3.12Å; S387-K406 VanDerWaalsContact OG-CD 3.31Å; S387-K406 WeakPolarHBondContact OG-CD 3.11Å; S387-K406 WeakPolarHBondContact OG-CE 3.37Å; S387-K406 PolarHBondContact OG-NZ 2.78Å; P400-K406 HydrophobicContact CB-CD 4.34Å; P400-K406 WeakPolarHBondContact O-CD 3.13Å; P400-K406 WeakPolarHBondContact O-CE 3.47Å; P400-K406 PolarHBondContact O-NZ 2.64Å; H404-K406 PolarHBondContact O-N 2.86Å; K406-W408 HydrophobicContact CD-CZ2 4.27Å; K406-W408 VanDerWaalsContact CE-CE2 3.48Å; K406-W408 HydrophobicContact CG-CZ2 4.31Å; K406-W408 VanDerWaalsContact O-CD1 3.28Å
407	V	97.9	Very high	96	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.1	179.2	-179.9	0	0	0	0	110	M80 Y85 L348 V349 H350 L388	M80-V407 HydrophobicContact CB-CG2 4.08Å; M80-V407 HydrophobicContact SD-CG1 3.97Å; M80-V407 HydrophobicContact SD-CG2 4.05Å; Y85-V407 HydrophobicContact CD1-CB 4.2Å; Y85-V407 HydrophobicContact CD1-CG1 4.13Å; Y85-V407 HydrophobicContact CD2-CB 4.43Å; Y85-V407 HydrophobicContact CD2-CG1 4.17Å; Y85-V407 HydrophobicContact CD2-CG2 4.14Å; Y85-V407 HydrophobicContact CE1-CB 3.87Å; Y85-V407 HydrophobicContact CE1-CG1 4.32Å; Y85-V407 HydrophobicContact CE1-CG2 4.1Å; Y85-V407 HydrophobicContact CE2-CB 4.15Å; Y85-V407 HydrophobicContact CE2-CG1 4.39Å; Y85-V407 HydrophobicContact CE2-CG2 3.57Å; Y85-V407 HydrophobicContact CG-CB 4.44Å; Y85-V407 HydrophobicContact CG-CG1 4.04Å; L348-V407 HydrophobicContact CB-CG1 4.45Å; L348-V407 HydrophobicContact CD2-CG1 4.38Å; L348-V407 HydrophobicContact CG-CG1 4.18Å; V349-V407 WeakPolarHBondContact O-CA 3.26Å; H350-V407 HydrophobicContact CB-CG2 4.41Å; L388-V407 HydrophobicContact CB-CG1 4.38Å; L388-V407 PolarHBondContact N-O 2.84Å
408	W	98.2	Very high	96	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	145.8	171.7	-63.1	87.9	0	0	0	109.6	L348 V349 G351 L353 L385 S386 A402 K406 F425	L348-W408 CarbonylContact C-O 3.33Å; L348-W408 VanDerWaalsContact CA-O 3.24Å; L348-W408 WeakPolarHBondContact CA-O 3.19Å; V349-W408 PolarHBondContact N-O 3.36Å; V349-W408 PolarHBondContact O-N 2.83Å; G351-W408 PolarHBondContact O-NE1 3.4Å; L353-W408 HydrophobicContact CB-CH2 4.13Å; L353-W408 HydrophobicContact CB-CZ2 3.47Å; L353-W408 VanDerWaalsContact CB-CZ2 3.47Å; L353-W408 HydrophobicContact CD2-CH2 3.51Å; L353-W408 HydrophobicContact CD2-CZ2 3.8Å; L353-W408 HydrophobicContact CD2-CZ3 3.98Å; L353-W408 HydrophobicContact CG-CH2 4.32Å; L353-W408 HydrophobicContact CG-CZ2 4.14Å; L385-W408 HydrophobicContact CD1-CB 4.24Å; L385-W408 HydrophobicContact CD1-CD2 4.41Å; L385-W408 HydrophobicContact CD1-CE3 3.87Å; L385-W408 HydrophobicContact CG-CE3 4.11Å; L385-W408 HydrophobicContact CG-CZ3 4.44Å; S386-W408 CarbonylContact O-C 3.53Å; S386-W408 VanDerWaalsContact O-CA 3.29Å; S386-W408 WeakPolarHBondContact O-CA 3.01Å; A402-W408 HydrophobicContact CB-CH2 4.44Å; A402-W408 HydrophobicContact CB-CZ2 4.19Å; K406-W408 HydrophobicContact CD-CZ2 4.27Å; K406-W408 VanDerWaalsContact CE-CE2 3.48Å; K406-W408 HydrophobicContact CG-CZ2 4.31Å; K406-W408 VanDerWaalsContact O-CD1 3.28Å; W408-F425 HydrophobicContact CB-CE1 3.74Å; W408-F425 HydrophobicContact CB-CZ 3.73Å; W408-F425 AromaticContact CD1-CE1 3.5Å; W408-F425 VanDerWaalsContact CD1-CE1 3.5Å; W408-F425 HydrophobicContact CD2-CE1 4.28Å; W408-F425 AromaticContact CG-CE1 3.56Å; W408-F425 HydrophobicContact CG-CE1 3.56Å; W408-F425 HydrophobicContact CG-CZ 4.06Å
409	K	98.2	Very high	96.1	Very high	11 Å²	11	44 Å²	44	5%	0.048	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.8	167.6	177.5	170.2	67.8	-167.3	0	109.2	E86 A346 T347 L348 L385 S386 L388 F411	E86-K409 PolarHBondContact O-NZ 2.66Å; A346-K409 HydrophobicContact CB-CD 4.32Å; T347-K409 CarbonylContact O-C 3.56Å; T347-K409 WeakPolarHBondContact O-CA 3.28Å; L348-K409 HydrophobicContact CD1-CB 4.08Å; L348-K409 HydrophobicContact CD1-CD 4.08Å; L348-K409 HydrophobicContact CD1-CG 3.93Å; L385-K409 CarbonylContact C-O 3.57Å; L385-K409 WeakPolarHBondContact CA-O 3.44Å; S386-K409 PolarHBondContact N-O 3.31Å; S386-K409 PolarHBondContact O-N 3.12Å; L388-K409 HydrophobicContact CD1-CB 3.67Å; L388-K409 HydrophobicContact CD1-CD 4.18Å; L388-K409 HydrophobicContact CD2-CB 3.99Å; L388-K409 HydrophobicContact CG-CB 3.71Å; K409-F411 HydrophobicContact CD-CE1 4.05Å; K409-F411 HydrophobicContact CD-CE2 4.13Å; K409-F411 HydrophobicContact CD-CZ 3.8Å
410	V	98.1	Very high	96.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.1	171.1	-170.9	0	0	0	0	107.7	T347 I382 S384 L385 L416 M424 F425	T347-V410 PolarHBondContact N-O 2.98Å; T347-V410 PolarHBondContact O-N 3.13Å; I382-V410 HydrophobicContact CB-CG1 3.84Å; I382-V410 HydrophobicContact CD1-CG1 4.1Å; I382-V410 HydrophobicContact CG2-CG1 3.54Å; S384-V410 WeakPolarHBondContact O-CA 3.44Å; L385-V410 HydrophobicContact CD1-CG2 3.74Å; V410-L416 HydrophobicContact CB-CD1 3.78Å; V410-L416 HydrophobicContact CG1-CD1 3.76Å; V410-L416 HydrophobicContact CG1-CD2 4.37Å; V410-L416 HydrophobicContact CG2-CD1 4.11Å; V410-M424 HydrophobicContact CG1-SD 4.26Å; V410-M424 HydrophobicContact CG2-SD 4.29Å; V410-F425 HydrophobicContact CG2-CE2 4.31Å; V410-F425 HydrophobicContact CG2-CZ 4.28Å
411	F	97.4	Very high	96.4	Very high	28 Å²	28	42.9 Å²	42.9	12%	0.123	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	132	167.7	-78.1	-51.5	0	0	0	109.9	T344 V345 A346 I382 N383 S384 K409	T344-F411 HydrophobicContact CG2-CB 4.38Å; T344-F411 HydrophobicContact CG2-CD1 3.62Å; T344-F411 HydrophobicContact CG2-CE1 4.11Å; T344-F411 HydrophobicContact CG2-CG 4.2Å; V345-F411 WeakPolarHBondContact O-CA 3.48Å; A346-F411 HydrophobicContact CB-CD1 4.05Å; A346-F411 HydrophobicContact CB-CE1 3.65Å; I382-F411 CarbonylContact C-O 3.48Å; N383-F411 HydrophobicContact CB-CB 4.09Å; N383-F411 WeakPolarHBondContact CB-O 3.29Å; N383-F411 PolarHBondContact N-O 3.15Å; S384-F411 PolarHBondContact N-O 2.84Å; S384-F411 PolarHBondContact O-N 3.16Å; S384-F411 WeakPolarHBondContact OG-CD2 3.46Å; K409-F411 HydrophobicContact CD-CE1 4.05Å; K409-F411 HydrophobicContact CD-CE2 4.13Å; K409-F411 HydrophobicContact CD-CZ 3.8Å
412	S	95.8	Very high	96.5	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	165.2	176.3	52.6	0	0	0	0	110.7	T344 V345 E414	T344-S412 WeakPolarHBondContact CA-O 3.47Å; V345-S412 PolarHBondContact N-O 2.95Å; V345-S412 PolarHBondContact O-N 3.22Å; V345-S412 VanDerWaalsContact O-N 3.14Å; S412-E414 WeakPolarHBondContact CB-O 3.22Å; S412-E414 PolarHBondContact OG-O 3.27Å
413	S	93.3	Very high	96.5	Very high	46 Å²	46	51.9 Å²	51.9	32%	0.322	27%	0.273	S	S	.	.	S	Bend	trans	-74.2	-29.2	174.8	-57.5	0	0	0	0	112.5	Q343	Q343-S413 PolarHBondContact NE2-O 3.34Å
414	E	94.1	Very high	96.5	Very high	121 Å²	121	50 Å²	50	57%	0.565	26%	0.26	S	S	*	.	S	Bend	trans	-132.6	160.2	-178.6	-64.1	-58.4	156	0	0	110.8	Q343 S412	Q343-E414 PolarHBondContact NE2-OE2 2.87Å; S412-E414 WeakPolarHBondContact CB-O 3.22Å; S412-E414 PolarHBondContact OG-O 3.27Å
415	P	96.3	Very high	96.6	Very high	62 Å²	62	45.2 Å²	45.2	40%	0.403	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-53.4	143.9	173.6	-26.1	35.9	0	0	0	112.4	V345	V345-P415 HydrophobicContact CG2-CG 4.35Å
416	L	96.9	Very high	96.7	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.052	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-78.3	132	-176.1	-64	176	0	0	0	110.7	T347 I382 V410 L421 M424	T347-L416 HydrophobicContact CG2-CD1 3.99Å; I382-L416 HydrophobicContact CG2-CD2 4.09Å; V410-L416 HydrophobicContact CB-CD1 3.78Å; V410-L416 HydrophobicContact CG1-CD1 3.76Å; V410-L416 HydrophobicContact CG1-CD2 4.37Å; V410-L416 HydrophobicContact CG2-CD1 4.11Å; L416-L421 HydrophobicContact CB-CD2 4.17Å; L416-L421 HydrophobicContact CB-CG 4.09Å; L416-L421 HydrophobicContact CD1-CD2 3.73Å; L416-L421 HydrophobicContact CD1-CG 4.5Å; L416-M424 HydrophobicContact CD1-CE 3.74Å; L416-M424 HydrophobicContact CD2-CE 4.14Å; L416-M424 HydrophobicContact CG-CE 4.49Å
417	T	96.6	Very high	96.8	Very high	68 Å²	68	50 Å²	50	42%	0.417	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-70	153.9	173.2	64.1	0	0	0	0	111	K419 Q420 L421	T417-K419 PolarHBondContact O-N 3.48Å; T417-K419 VanDerWaalsContact O-N 3.12Å; T417-Q420 WeakPolarHBondContact O-CB 3.5Å; T417-Q420 PolarHBondContact O-N 2.69Å; T417-Q420 WeakPolarHBondContact OG1-CG 3.43Å; T417-Q420 PolarHBondContact OG1-N 3.04Å; T417-Q420 PolarHBondContact OG1-OE1 3.2Å; T417-L421 PolarHBondContact O-N 3.19Å
418	P	96.9	Very high	96.8	Very high	86 Å²	86	54 Å²	54	56%	0.558	28%	0.28	S	S	*	.	H	α-helix	trans	-53.8	-35	174.8	-28.4	35.5	0	0	0	113.4	L421 Q422	P418-L421 PolarHBondContact O-N 3.03Å; P418-Q422 WeakPolarHBondContact O-CB 3.2Å; P418-Q422 VanDerWaalsContact O-CG 3.26Å; P418-Q422 WeakPolarHBondContact O-CG 3.31Å; P418-Q422 PolarHBondContact O-N 3.14Å
419	K	96.3	Very high	96.7	Very high	144 Å²	144	59.6 Å²	59.6	63%	0.626	31%	0.31	S	S	*	.	H	α-helix	trans	-65.2	-42.8	176.6	-174.3	180	179	-177.5	0	112	T417 Q422 Q423	T417-K419 PolarHBondContact O-N 3.48Å; T417-K419 VanDerWaalsContact O-N 3.12Å; K419-Q422 PolarHBondContact O-N 2.97Å; K419-Q423 VanDerWaalsContact O-CG 3.31Å; K419-Q423 WeakPolarHBondContact O-CG 3.04Å; K419-Q423 PolarHBondContact O-N 3.2Å
420	Q	96.3	Very high	96.6	Very high	49 Å²	49	61.5 Å²	61.5	23%	0.229	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-42.6	176.2	-73.9	165.3	-60.8	0	0	111	T417 Q422 Q423 M424	T417-Q420 WeakPolarHBondContact O-CB 3.5Å; T417-Q420 PolarHBondContact O-N 2.69Å; T417-Q420 WeakPolarHBondContact OG1-CG 3.43Å; T417-Q420 PolarHBondContact OG1-N 3.04Å; T417-Q420 PolarHBondContact OG1-OE1 3.2Å; Q420-Q422 PolarHBondContact O-N 2.75Å; Q420-Q423 WeakPolarHBondContact O-CB 3.43Å; Q420-Q423 PolarHBondContact O-N 3.41Å; Q420-M424 HydrophobicContact CB-CE 4.05Å; Q420-M424 VanDerWaalsContact O-CE 3.27Å; Q420-M424 WeakPolarHBondContact O-CE 3.39Å; Q420-M424 PolarHBondContact O-N 3.15Å; Q420-M424 VanDerWaalsContact O-N 3.1Å
421	L	97.8	Very high	96.6	Very high	10 Å²	10	64.1 Å²	64.1	5%	0.052	34%	0.341	C	S	.	.	H	α-helix	trans	-60.5	-44.9	175.2	-69.7	171.3	0	0	0	111.9	T347 V349 L416 T417 P418 Q423 M424 F425 Y428 V431	T347-L421 HydrophobicContact CG2-CD2 4.49Å; V349-L421 HydrophobicContact CG2-CD2 3.84Å; L416-L421 HydrophobicContact CB-CD2 4.17Å; L416-L421 HydrophobicContact CB-CG 4.09Å; L416-L421 HydrophobicContact CD1-CD2 3.73Å; L416-L421 HydrophobicContact CD1-CG 4.5Å; T417-L421 PolarHBondContact O-N 3.19Å; P418-L421 PolarHBondContact O-N 3.03Å; L421-Q423 VanDerWaalsContact C-N 3.27Å; L421-Q423 PolarHBondContact O-N 3.43Å; L421-M424 PolarHBondContact O-N 2.87Å; L421-F425 HydrophobicContact CD2-CD2 4.35Å; L421-F425 HydrophobicContact CD2-CE2 4.29Å; L421-F425 WeakPolarHBondContact O-CD2 3.47Å; L421-F425 PolarHBondContact O-N 2.95Å; L421-Y428 HydrophobicContact CB-CE1 4.04Å; L421-V431 HydrophobicContact CD1-CG2 4.41Å
422	Q	96.8	Very high	96.6	Very high	128 Å²	128	64.2 Å²	64.2	60%	0.598	35%	0.345	S	S	*	.	H	α-helix	trans	-66.8	-25.1	177.2	-73	170.1	-0.8	0	0	113.7	P418 K419 Q420	P418-Q422 WeakPolarHBondContact O-CB 3.2Å; P418-Q422 VanDerWaalsContact O-CG 3.26Å; P418-Q422 WeakPolarHBondContact O-CG 3.31Å; P418-Q422 PolarHBondContact O-N 3.14Å; K419-Q422 PolarHBondContact O-N 2.97Å; Q420-Q422 PolarHBondContact O-N 2.75Å
423	Q	95.5	Very high	96.7	Very high	95 Å²	95	68.3 Å²	68.3	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-72.5	-42.5	171.9	-74.3	174	-40.9	0	0	111.1	N354 Y357 K419 Q420 L421	N354-Q423 PolarHBondContact ND2-O 3.5Å; Y357-Q423 HydrophobicContact CD2-CB 4.17Å; Y357-Q423 HydrophobicContact CE2-CB 4.42Å; K419-Q423 VanDerWaalsContact O-CG 3.31Å; K419-Q423 WeakPolarHBondContact O-CG 3.04Å; K419-Q423 PolarHBondContact O-N 3.2Å; Q420-Q423 WeakPolarHBondContact O-CB 3.43Å; Q420-Q423 PolarHBondContact O-N 3.41Å; L421-Q423 VanDerWaalsContact C-N 3.27Å; L421-Q423 PolarHBondContact O-N 3.43Å
424	M	97	Very high	96.8	Very high	2 Å²	2	67.2 Å²	67.2	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-79.2	-31.8	-176.2	-72	-177.5	-81	0	0	113.8	L353 N354 Y357 I382 V410 L416 Q420 L421	L353-M424 VanDerWaalsContact CD1-O 3.27Å; L353-M424 WeakPolarHBondContact CD1-O 3.34Å; N354-M424 WeakPolarHBondContact CB-O 3.38Å; N354-M424 PolarHBondContact N-O 2.83Å; Y357-M424 HydrophobicContact CD1-CG 3.88Å; Y357-M424 HydrophobicContact CD2-CG 4.19Å; Y357-M424 HydrophobicContact CE1-CG 3.67Å; Y357-M424 HydrophobicContact CE1-SD 4.29Å; Y357-M424 HydrophobicContact CE2-CG 3.99Å; Y357-M424 HydrophobicContact CG-CG 4.15Å; I382-M424 HydrophobicContact CD1-SD 4.08Å; I382-M424 HydrophobicContact CG2-CE 4.38Å; I382-M424 HydrophobicContact CG2-SD 4.2Å; V410-M424 HydrophobicContact CG1-SD 4.26Å; V410-M424 HydrophobicContact CG2-SD 4.29Å; L416-M424 HydrophobicContact CD1-CE 3.74Å; L416-M424 HydrophobicContact CD2-CE 4.14Å; L416-M424 HydrophobicContact CG-CE 4.49Å; Q420-M424 HydrophobicContact CB-CE 4.05Å; Q420-M424 VanDerWaalsContact O-CE 3.27Å; Q420-M424 WeakPolarHBondContact O-CE 3.39Å; Q420-M424 PolarHBondContact O-N 3.15Å; Q420-M424 VanDerWaalsContact O-N 3.1Å; L421-M424 PolarHBondContact O-N 2.87Å
425	F	98	Very high	96.9	Very high	4 Å²	4	65.3 Å²	65.3	2%	0.018	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.3	-172.8	-61.1	-78.2	0	0	0	111.4	V349 T352 L353 L385 W408 V410 L421 S427 Y428	V349-F425 HydrophobicContact CB-CD2 4.44Å; V349-F425 HydrophobicContact CB-CE1 4.3Å; V349-F425 HydrophobicContact CB-CE2 3.9Å; V349-F425 HydrophobicContact CB-CZ 3.83Å; V349-F425 HydrophobicContact CG1-CD1 4.2Å; V349-F425 HydrophobicContact CG1-CD2 3.91Å; V349-F425 HydrophobicContact CG1-CE1 4.19Å; V349-F425 HydrophobicContact CG1-CE2 3.89Å; V349-F425 HydrophobicContact CG1-CG 4.07Å; V349-F425 HydrophobicContact CG1-CZ 4.04Å; V349-F425 HydrophobicContact CG2-CD2 4.41Å; V349-F425 HydrophobicContact CG2-CE2 3.75Å; V349-F425 HydrophobicContact CG2-CZ 4.08Å; T352-F425 CarbonylContact O-C 3.43Å; T352-F425 WeakPolarHBondContact O-CA 3.46Å; L353-F425 HydrophobicContact CD1-CD1 4.31Å; L353-F425 HydrophobicContact CD1-CE1 3.99Å; L385-F425 HydrophobicContact CD1-CZ 4.13Å; W408-F425 HydrophobicContact CB-CE1 3.74Å; W408-F425 HydrophobicContact CB-CZ 3.73Å; W408-F425 AromaticContact CD1-CE1 3.5Å; W408-F425 VanDerWaalsContact CD1-CE1 3.5Å; W408-F425 HydrophobicContact CD2-CE1 4.28Å; W408-F425 AromaticContact CG-CE1 3.56Å; W408-F425 HydrophobicContact CG-CE1 3.56Å; W408-F425 HydrophobicContact CG-CZ 4.06Å; V410-F425 HydrophobicContact CG2-CE2 4.31Å; V410-F425 HydrophobicContact CG2-CZ 4.28Å; L421-F425 HydrophobicContact CD2-CD2 4.35Å; L421-F425 HydrophobicContact CD2-CE2 4.29Å; L421-F425 WeakPolarHBondContact O-CD2 3.47Å; L421-F425 PolarHBondContact O-N 2.95Å; F425-S427 VanDerWaalsContact C-N 3.3Å; F425-Y428 HydrophobicContact CB-CD1 3.97Å
426	L	97.7	Very high	96.8	Very high	115 Å²	115	64.3 Å²	64.3	60%	0.602	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	-36.1	174	-64.4	175.2	0	0	0	111.1	T352 N354	T352-L426 HydrophobicContact CG2-CD1 4.35Å; T352-L426 PolarHBondContact O-N 3.13Å; N354-L426 HydrophobicContact CB-CD2 3.76Å; N354-L426 HydrophobicContact CB-CG 3.83Å
427	S	97.6	Very high	96.6	Very high	65 Å²	65	66.1 Å²	66.1	46%	0.455	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	149.3	176.5	60.4	0	0	0	0	109.7	G351 T352 F425	G351-S427 CarbonylContact C-O 3.59Å; G351-S427 WeakPolarHBondContact CA-O 3.46Å; T352-S427 PolarHBondContact N-O 3.12Å; T352-S427 PolarHBondContact OG1-OG 3.04Å; F425-S427 VanDerWaalsContact C-N 3.3Å
428	Y	97.4	Very high	96.2	Very high	87 Å²	87	63.2 Å²	63.2	34%	0.341	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	150.1	171.4	58	-92.1	0	0	0	109.5	V349 H350 L421 F425 V431	V349-Y428 HydrophobicContact CG1-CG 4.07Å; H350-Y428 VanDerWaalsContact O-CA 3.25Å; H350-Y428 WeakPolarHBondContact O-CA 3.13Å; H350-Y428 WeakPolarHBondContact O-CB 3.33Å; L421-Y428 HydrophobicContact CB-CE1 4.04Å; F425-Y428 HydrophobicContact CB-CD1 3.97Å; Y428-V431 HydrophobicContact CD2-CG2 3.65Å; Y428-V431 HydrophobicContact CE2-CG2 3.83Å
429	D	96.1	Very high	96	Very high	118 Å²	118	61.6 Å²	61.6	63%	0.631	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	-18.4	-179.8	59.3	40.4	0	0	0	113.5	H350	H350-D429 IonicContact CE1-OD1 2.89Å; H350-D429 IonicContact CE1-OD2 3.04Å; H350-D429 PolarHBondContact CE1-OD2 2.87Å; H350-D429 IonicContact CG-OD1 2.96Å; H350-D429 VanDerWaalsContact ND1-CG 3.26Å; H350-D429 IonicContact ND1-OD1 3.67Å; H350-D429 PolarHBondContact ND1-OD1 3.38Å; H350-D429 IonicContact ND1-OD2 3.32Å; H350-D429 PolarHBondContact ND1-OD2 3.18Å; H350-D429 PolarHBondContact O-N 3.15Å; H350-D429 VanDerWaalsContact O-N 3.08Å
430	S	96.4	Very high	95.8	Very high	51 Å²	51	54.8 Å²	54.8	36%	0.357	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	137.7	-178.2	-166.7	0	0	0	0	111	M80 V349 H350	M80-S430 WeakPolarHBondContact CE-O 3.21Å; V349-S430 WeakPolarHBondContact CA-O 3.35Å; H350-S430 PolarHBondContact N-O 2.91Å
431	V	97.8	Very high	95.6	Very high	54 Å²	54	54.6 Å²	54.6	33%	0.327	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.1	176	-177.5	0	0	0	0	108.4	T347 L348 V349 L421 Y428 E433	T347-V431 HydrophobicContact CG2-CG1 3.64Å; L348-V431 CarbonylContact O-C 3.48Å; L348-V431 VanDerWaalsContact O-CA 3.28Å; L348-V431 WeakPolarHBondContact O-CA 3.14Å; V349-V431 HydrophobicContact CG1-CG2 4.41Å; V349-V431 HydrophobicContact CG2-CG1 4.47Å; V349-V431 HydrophobicContact CG2-CG2 4.4Å; L421-V431 HydrophobicContact CD1-CG2 4.41Å; Y428-V431 HydrophobicContact CD2-CG2 3.65Å; Y428-V431 HydrophobicContact CE2-CG2 3.83Å; V431-E433 HydrophobicContact CG1-CG 4.36Å
432	S	97.9	Very high	95.3	Very high	31 Å²	31	54.1 Å²	54.1	22%	0.217	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.9	173	-178.7	0	0	0	0	109.6	T347 L348	T347-S432 CarbonylContact C-O 3.41Å; T347-S432 WeakPolarHBondContact CA-O 3.41Å; L348-S432 PolarHBondContact N-O 3.26Å; L348-S432 PolarHBondContact O-N 2.87Å
433	E	97.4	Very high	94.9	Very high	88 Å²	88	56.4 Å²	56.4	41%	0.411	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.2	-179.1	-61.2	-174.2	153.6	0	0	109.7	T347 V431	T347-E433 HydrophobicContact CG2-CG 4.08Å; V431-E433 HydrophobicContact CG1-CG 4.36Å
434	T	96.8	Very high	94.5	Very high	24 Å²	24	53.3 Å²	53.3	15%	0.147	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	102.5	175.1	-48	0	0	0	0	109.8	A346 W436	A346-T434 PolarHBondContact N-O 3Å; A346-T434 PolarHBondContact O-N 3.34Å; T434-W436 HydrophobicContact CG2-CD2 4.13Å; T434-W436 HydrophobicContact CG2-CH2 3.76Å; T434-W436 HydrophobicContact CG2-CZ2 3.21Å; T434-W436 HydrophobicContact CG2-CZ3 4.41Å
435	P	95.6	Very high	93.4	Very high	81 Å²	81	57 Å²	57	53%	0.526	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126.8	177.5	30.6	-32.6	0	0	0	110.8	V345	V345-P435 HydrophobicContact CG2-CB 4.36Å
436	W	94.3	Very high	91.9	Very high	41 Å²	41	58.2 Å²	58.2	16%	0.155	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.3	175.2	-57.7	115.5	0	0	0	110.9	R74 A76 T87 Q343 T344 T434 A438	R74-W436 HydrophobicContact CG-CD2 4.42Å; R74-W436 HydrophobicContact CG-CE3 3.83Å; R74-W436 HydrophobicContact CG-CZ3 4.14Å; A76-W436 HydrophobicContact CB-CH2 3.56Å; A76-W436 HydrophobicContact CB-CZ2 3.7Å; T87-W436 PolarHBondContact O-NE1 3.47Å; Q343-W436 CarbonylContact C-O 3.58Å; Q343-W436 VanDerWaalsContact CA-O 3.3Å; Q343-W436 WeakPolarHBondContact CA-O 3.42Å; T344-W436 PolarHBondContact N-O 3.22Å; T344-W436 WeakPolarHBondContact O-CA 3.35Å; T344-W436 WeakPolarHBondContact O-CB 3.34Å; T344-W436 PolarHBondContact O-N 3.48Å; T434-W436 HydrophobicContact CG2-CD2 4.13Å; T434-W436 HydrophobicContact CG2-CH2 3.76Å; T434-W436 HydrophobicContact CG2-CZ2 3.21Å; T434-W436 HydrophobicContact CG2-CZ3 4.41Å; W436-A438 HydrophobicContact CB-CB 3.82Å; W436-A438 PolarHBondContact O-N 3.02Å
437	L	92.8	Very high	90.1	Very high	48 Å²	48	62.6 Å²	62.6	25%	0.251	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	70.5	153.7	-70.8	175.7	0	0	0	108	G320 K321 Y341 Q343	G320-L437 WeakPolarHBondContact O-CD1 3.45Å; K321-L437 HydrophobicContact CD-CB 3.98Å; K321-L437 HydrophobicContact CD-CD1 4.1Å; K321-L437 WeakPolarHBondContact CE-O 3.31Å; K321-L437 PolarHBondContact NZ-O 3.26Å; Y341-L437 WeakPolarHBondContact CD1-O 3.31Å; Q343-L437 HydrophobicContact CB-CD2 4.11Å
438	A	87.1	Confident	88.8	Confident	7 Å²	7	67.7 Å²	67.7	6%	0.058	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-35.5	-163.2	0	0	0	0	0	113.1	R74 H342 W436	R74-A438 PolarHBondContact NH1-O 3.06Å; H342-A438 PolarHBondContact O-N 3.45Å; W436-A438 HydrophobicContact CB-CB 3.82Å; W436-A438 PolarHBondContact O-N 3.02Å
439	Y	92.9	Very high	87.8	Confident	52 Å²	52	64.7 Å²	64.7	20%	0.204	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	141.7	-164.5	-55.3	-58.2	0	0	0	111.5	N224 Y225 Y341 H342	N224-Y439 WeakPolarHBondContact O-CE2 3.44Å; N224-Y439 PolarHBondContact O-OH 3.19Å; Y225-Y439 AromaticContact CD1-CD1 3.52Å; Y225-Y439 HydrophobicContact CD1-CD1 3.52Å; Y225-Y439 AromaticContact CD1-CD2 3.99Å; Y225-Y439 HydrophobicContact CD1-CD2 3.99Å; Y225-Y439 AromaticContact CD1-CE1 3.76Å; Y225-Y439 HydrophobicContact CD1-CE1 3.76Å; Y225-Y439 HydrophobicContact CD1-CE2 4.2Å; Y225-Y439 AromaticContact CD1-CG 3.64Å; Y225-Y439 HydrophobicContact CD1-CG 3.64Å; Y225-Y439 AromaticContact CE1-CD1 3.63Å; Y225-Y439 HydrophobicContact CE1-CD1 3.63Å; Y225-Y439 AromaticContact CE1-CE1 3.72Å; Y225-Y439 HydrophobicContact CE1-CE1 3.72Å; Y225-Y439 HydrophobicContact CE1-CG 4.23Å; Y225-Y439 VanDerWaalsContact O-CD2 3.32Å; Y225-Y439 WeakPolarHBondContact O-CD2 3.18Å; Y341-Y439 CarbonylContact C-O 3.6Å; Y341-Y439 VanDerWaalsContact CA-O 3.26Å; Y341-Y439 WeakPolarHBondContact CA-O 3.29Å; H342-Y439 PolarHBondContact N-O 2.7Å
440	P	92.9	Very high	87.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	151.9	159.7	-27.8	35.7	0	0	0	112.6	Q227 Y341 Y442 E465 W466	Q227-P440 PolarHBondContact NE2-O 3Å; Y341-P440 HydrophobicContact CE1-CG 4.11Å; Y341-P440 HydrophobicContact CE2-CG 4.29Å; P440-Y442 HydrophobicContact CB-CD1 4.16Å; P440-Y442 HydrophobicContact CB-CE1 3.81Å; P440-Y442 WeakPolarHBondContact CD-OH 3.47Å; P440-Y442 HydrophobicContact CG-CE1 4.07Å; P440-Y442 WeakPolarHBondContact O-CD2 3.4Å; P440-Y442 WeakPolarHBondContact O-CE2 3.49Å; P440-Y442 PolarHBondContact O-N 2.9Å; P440-E465 HydrophobicContact CG-CB 4.25Å; P440-E465 WeakPolarHBondContact CG-O 2.87Å; P440-W466 HydrophobicContact CB-CD2 3.97Å; P440-W466 HydrophobicContact CB-CE3 3.91Å; P440-W466 HydrophobicContact CB-CH2 3.94Å; P440-W466 HydrophobicContact CB-CZ2 4.07Å; P440-W466 HydrophobicContact CB-CZ3 3.9Å; P440-W466 HydrophobicContact CG-CD2 4.07Å; P440-W466 HydrophobicContact CG-CG 4.28Å; P440-W466 HydrophobicContact CG-CZ2 4.33Å
441	S	91.8	Very high	87.2	Confident	45 Å²	45	58.7 Å²	58.7	32%	0.315	29%	0.289	S	S	.	.			trans	-75.5	103.9	167.3	167.9	0	0	0	0	109.5	L340 R443	L340-S441 PolarHBondContact O-N 2.83Å; S441-R443 VanDerWaalsContact C-N 3.25Å; S441-R443 PolarHBondContact O-N 3.01Å
442	Y	91.9	Very high	87.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.274	C	S	.	.			trans	-84.5	34	-166.2	-67.2	-66.6	0	0	0	115.5	Y225 Q227 I231 N232 V235 P440 P444 E465 S469	Y225-Y442 HydrophobicContact CD1-CD2 4.45Å; Y225-Y442 AromaticContact CD1-CE2 3.79Å; Y225-Y442 HydrophobicContact CD1-CE2 3.79Å; Y225-Y442 AromaticContact CE1-CE2 3.96Å; Y225-Y442 HydrophobicContact CE1-CE2 3.96Å; Q227-Y442 VanDerWaalsContact OE1-N 3.12Å; I231-Y442 CarbonylContact C-O 3.52Å; I231-Y442 HydrophobicContact CG2-CD2 4.4Å; N232-Y442 PolarHBondContact N-O 2.99Å; V235-Y442 HydrophobicContact CB-CD2 4.35Å; V235-Y442 HydrophobicContact CB-CG 4.39Å; V235-Y442 HydrophobicContact CG1-CD2 3.74Å; V235-Y442 HydrophobicContact CG1-CE2 3.78Å; V235-Y442 HydrophobicContact CG1-CG 4.28Å; V235-Y442 HydrophobicContact CG2-CD1 3.56Å; V235-Y442 HydrophobicContact CG2-CD2 3.94Å; V235-Y442 HydrophobicContact CG2-CE1 3.65Å; V235-Y442 HydrophobicContact CG2-CE2 4.03Å; V235-Y442 HydrophobicContact CG2-CG 3.7Å; P440-Y442 HydrophobicContact CB-CD1 4.16Å; P440-Y442 HydrophobicContact CB-CE1 3.81Å; P440-Y442 WeakPolarHBondContact CD-OH 3.47Å; P440-Y442 HydrophobicContact CG-CE1 4.07Å; P440-Y442 WeakPolarHBondContact O-CD2 3.4Å; P440-Y442 WeakPolarHBondContact O-CE2 3.49Å; P440-Y442 PolarHBondContact O-N 2.9Å; Y442-P444 VanDerWaalsContact O-CD 3.31Å; Y442-P444 WeakPolarHBondContact O-CD 3.19Å; Y442-E465 WeakPolarHBondContact CE1-O 2.97Å; Y442-E465 PolarHBondContact OH-O 3.46Å; Y442-S469 VanDerWaalsContact OH-CB 3.3Å; Y442-S469 WeakPolarHBondContact OH-CB 3.38Å; Y442-S469 PolarHBondContact OH-N 2.94Å
443	R	87.4	Confident	87.1	Confident	176 Å²	176	55.9 Å²	55.9	66%	0.664	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-77.5	122.4	-176.4	-66.3	-172.5	-179.3	-169.7	1.3	111.9	S441	S441-R443 VanDerWaalsContact C-N 3.25Å; S441-R443 PolarHBondContact O-N 3.01Å
444	P	86.8	Confident	87	Confident	31 Å²	31	52.8 Å²	52.8	20%	0.201	26%	0.257	C	S	.	.	S	Bend	trans	-70.6	160.7	171.3	-16.4	31.2	0	0	0	113.1	N196 T198 R230 N232 Y442	N196-P444 WeakPolarHBondContact O-CB 3.39Å; T198-P444 HydrophobicContact CG2-CG 4.03Å; R230-P444 WeakPolarHBondContact O-CD 3.49Å; N232-P444 HydrophobicContact CB-CG 3.96Å; Y442-P444 VanDerWaalsContact O-CD 3.31Å; Y442-P444 WeakPolarHBondContact O-CD 3.19Å
445	P	74.9	Confident	86.9	Confident	79 Å²	79	54 Å²	54	51%	0.513	26%	0.261	S	S	.	.	S	Bend	cis	-72.2	136.5	-5.8	29.7	-34.1	0	0	0	111.2	R447	P445-R447 PolarHBondContact O-N 2.83Å
446	H	66.3	Low	86.7	Confident	29 Å²	29	52.9 Å²	52.9	13%	0.134	25%	0.251	C	S	.	.			trans	-71.9	113.1	179.9	-156.3	85.7	0	0	0	109.3	T449 W466	H446-T449 VanDerWaalsContact NE2-CG2 3.26Å; H446-T449 WeakPolarHBondContact NE2-CG2 3.05Å; H446-W466 AromaticContact CE1-CE3 3.59Å; H446-W466 PolarHBondContact CE1-O 3.36Å; H446-W466 AromaticContact NE2-CE3 3.98Å
447	R	60.8	Low	86.8	Confident	207 Å²	207	52.2 Å²	52.2	78%	0.781	25%	0.248	S	C	*	.			trans	-117.1	116.8	180	-67.4	-174.9	-178.9	-179.9	1.5	110.4	P445	P445-R447 PolarHBondContact O-N 2.83Å
448	K	69.7	Low	87	Confident	173 Å²	173	50 Å²	50	75%	0.752	24%	0.236	S	C	*	.			trans	73.3	58.4	168.2	-52.5	179.6	179.7	-178.6	0	115.1
449	T	76.6	Confident	87.6	Confident	24 Å²	24	49.7 Å²	49.7	15%	0.147	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-49.2	130.3	161.5	-1.4	0	0	0	0	109.7	V179 E180 H446 W466	V179-T449 HydrophobicContact CB-CG2 4.46Å; E180-T449 VanDerWaalsContact OE1-CB 3.29Å; E180-T449 WeakPolarHBondContact OE1-CB 3.18Å; E180-T449 PolarHBondContact OE1-OG1 2.8Å; H446-T449 VanDerWaalsContact NE2-CG2 3.26Å; H446-T449 WeakPolarHBondContact NE2-CG2 3.05Å; T449-W466 HydrophobicContact CG2-CB 3.65Å
450	P	86.6	Confident	87.8	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.013	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-63.2	144.7	174	24.1	-31.8	0	0	0	110.4	Y337 Y460 A463	Y337-P450 HydrophobicContact CD1-CB 3.7Å; Y337-P450 HydrophobicContact CD2-CB 4.15Å; Y337-P450 HydrophobicContact CE1-CB 3.86Å; Y337-P450 HydrophobicContact CE2-CB 4.29Å; Y337-P450 HydrophobicContact CG-CB 3.86Å; P450-Y460 HydrophobicContact CB-CD1 3.84Å; P450-Y460 HydrophobicContact CB-CE1 3.67Å; P450-Y460 HydrophobicContact CG-CD1 4.15Å; P450-Y460 HydrophobicContact CG-CE1 3.52Å; P450-A463 HydrophobicContact CB-CB 4.42Å; P450-A463 HydrophobicContact CG-CB 4.02Å; P450-A463 WeakPolarHBondContact O-CB 3.31Å
451	P	91.9	Very high	88	Confident	40 Å²	40	47.2 Å²	47.2	26%	0.26	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-76.5	160.5	179.1	31.9	-34.5	0	0	0	111.4	V453 L454	P451-V453 VanDerWaalsContact C-N 3.28Å; P451-V453 WeakPolarHBondContact CG-O 3.46Å; P451-L454 HydrophobicContact CG-CD2 4.18Å
452	F	97.3	Very high	88.1	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-70.7	-28.4	168.7	-67.2	-53.3	0	0	0	112	F176 S177 T178 V179 L182 Y459 Y460 A463 V464 S477 N480 V481 L484	F176-F452 VanDerWaalsContact O-CD2 3.28Å; F176-F452 WeakPolarHBondContact O-CD2 3.44Å; S177-F452 WeakPolarHBondContact O-CB 3.43Å; S177-F452 PolarHBondContact O-N 3.42Å; T178-F452 VanDerWaalsContact C-CD2 3.47Å; T178-F452 VanDerWaalsContact C-CE2 3.47Å; T178-F452 WeakPolarHBondContact O-CE2 3.45Å; V179-F452 HydrophobicContact CB-CE2 4.46Å; V179-F452 HydrophobicContact CB-CZ 4.33Å; V179-F452 HydrophobicContact CG2-CD1 4.44Å; V179-F452 HydrophobicContact CG2-CE1 3.79Å; V179-F452 HydrophobicContact CG2-CE2 4.01Å; V179-F452 HydrophobicContact CG2-CZ 3.57Å; L182-F452 HydrophobicContact CB-CE2 4.22Å; L182-F452 HydrophobicContact CD1-CE2 4.08Å; L182-F452 HydrophobicContact CD1-CZ 4.28Å; F452-Y459 CarbonylContact O-C 3.57Å; F452-Y459 WeakPolarHBondContact O-CA 3.25Å; F452-Y459 WeakPolarHBondContact O-CB 3.28Å; F452-Y460 WeakPolarHBondContact CD1-O 3.38Å; F452-Y460 PolarHBondContact O-N 2.78Å; F452-A463 HydrophobicContact CD1-CB 3.9Å; F452-A463 HydrophobicContact CE1-CB 4.02Å; F452-V464 HydrophobicContact CE1-CB 4.11Å; F452-V464 HydrophobicContact CZ-CB 4.3Å; F452-S477 WeakPolarHBondContact CE1-OG 3.37Å; F452-N480 WeakPolarHBondContact CD2-ND2 3.25Å; F452-V481 HydrophobicContact CB-CG2 4.37Å; F452-V481 HydrophobicContact CD1-CG2 4.35Å; F452-L484 HydrophobicContact CB-CD1 4.07Å
453	V	96.9	Very high	88.3	Confident	26 Å²	26	45.5 Å²	45.5	16%	0.158	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	109.9	179.2	-174.7	0	0	0	0	109.3	P451 Y459 L484	P451-V453 VanDerWaalsContact C-N 3.28Å; P451-V453 WeakPolarHBondContact CG-O 3.46Å; V453-Y459 HydrophobicContact CG2-CD1 4.07Å; V453-Y459 HydrophobicContact CG2-CE1 4.05Å; V453-L484 HydrophobicContact CG2-CD1 4.1Å
454	L	95.9	Very high	88.7	Confident	23 Å²	23	37.1 Å²	37.1	12%	0.12	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-37.9	176.1	-56	-171.1	0	0	0	111.9	I313 L317 F326 I333 Y337 P451 L458 Y460	I313-L454 HydrophobicContact CD1-CD1 3.88Å; L317-L454 HydrophobicContact CD1-CD1 3.82Å; F326-L454 HydrophobicContact CE1-CD1 4.45Å; F326-L454 HydrophobicContact CZ-CD1 4.41Å; I333-L454 HydrophobicContact CD1-CB 3.94Å; I333-L454 HydrophobicContact CG2-CD1 4.3Å; Y337-L454 HydrophobicContact CE2-CD2 4.24Å; Y337-L454 VanDerWaalsContact OH-CD2 3.32Å; Y337-L454 WeakPolarHBondContact OH-CD2 3.49Å; P451-L454 HydrophobicContact CG-CD2 4.18Å; L454-L458 HydrophobicContact CB-CD2 4.12Å; L454-L458 HydrophobicContact CB-CG 4.07Å; L454-L458 HydrophobicContact CD1-CD2 4.46Å; L454-L458 HydrophobicContact CD1-CG 4.36Å; L454-L458 PolarHBondContact N-O 2.85Å; L454-Y460 HydrophobicContact CD2-CD1 4.46Å; L454-Y460 HydrophobicContact CD2-CG 4.48Å
455	H	95.3	Very high	89	Confident	50 Å²	50	35.6 Å²	35.6	23%	0.231	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	172.4	175.4	-176	-101	0	0	0	109.4	M279 Y293 F329 I333 R457 L458	M279-H455 PolarHBondContact SD-CE1 3.34Å; Y293-H455 AromaticContact CZ-ND1 3.94Å; Y293-H455 PolarHBondContact OH-ND1 2.74Å; F329-H455 HydrophobicContact CD1-CB 4.04Å; F329-H455 AromaticContact CD1-CG 3.9Å; F329-H455 HydrophobicContact CE1-CB 3.91Å; F329-H455 AromaticContact CE1-CG 3.94Å; I333-H455 HydrophobicContact CD1-CB 4.29Å; H455-R457 PolarHBondContact O-N 3.38Å; H455-L458 HydrophobicContact CB-CB 4.05Å; H455-L458 HydrophobicContact CB-CD2 4.24Å; H455-L458 PolarHBondContact N-O 2.84Å; H455-L458 PolarHBondContact O-N 2.96Å; H455-L458 VanDerWaalsContact O-O 3.06Å
456	N	91.4	Very high	89.9	Confident	57 Å²	57	32.7 Å²	32.7	31%	0.305	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	113.5	178.2	-172.3	33.2	0	0	0	111.2	P291 Y293 L458	P291-N456 HydrophobicContact CG-CB 4.45Å; Y293-N456 PolarHBondContact OH-O 2.98Å; N456-L458 VanDerWaalsContact C-N 3.33Å
457	R	95	Very high	91.1	Very high	28 Å²	28	31.3 Å²	31.3	11%	0.106	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	15.9	-175	-49.3	167.8	-179.2	-166.3	-7.4	115.2	Y293 D309 I310 V311 H455 W489	Y293-R457 HydrophobicContact CE2-CB 4.02Å; Y293-R457 WeakPolarHBondContact CE2-O 3.46Å; D309-R457 WeakPolarHBondContact O-CB 3.31Å; D309-R457 WeakPolarHBondContact O-CD 3.49Å; I310-R457 WeakPolarHBondContact CA-O 3.32Å; I310-R457 HydrophobicContact CG1-CB 4.14Å; I310-R457 HydrophobicContact CG1-CG 4.49Å; V311-R457 PolarHBondContact N-O 3.32Å; H455-R457 PolarHBondContact O-N 3.38Å; R457-W489 HydrophobicContact CG-CE3 4.48Å
458	L	97.8	Very high	92.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	116	171.4	176.6	65.3	0	0	0	109.3	I277 Y293 V311 I313 F326 F329 I333 L454 H455 N456	I277-L458 HydrophobicContact CD1-CD1 4.39Å; I277-L458 HydrophobicContact CG2-CD1 4.5Å; Y293-L458 HydrophobicContact CE1-CB 4.12Å; Y293-L458 HydrophobicContact CE1-CD2 4.34Å; Y293-L458 HydrophobicContact CE2-CB 4.27Å; V311-L458 HydrophobicContact CB-CD1 3.58Å; V311-L458 HydrophobicContact CG1-CD1 3.62Å; V311-L458 WeakPolarHBondContact O-CA 3.21Å; I313-L458 HydrophobicContact CD1-CD1 4.08Å; I313-L458 HydrophobicContact CG1-CD1 4.26Å; F326-L458 HydrophobicContact CD1-CD2 4.39Å; F326-L458 HydrophobicContact CE1-CD2 4.19Å; F329-L458 HydrophobicContact CE1-CD2 3.75Å; F329-L458 HydrophobicContact CZ-CD2 3.75Å; I333-L458 HydrophobicContact CD1-CD2 3.62Å; L454-L458 HydrophobicContact CB-CD2 4.12Å; L454-L458 HydrophobicContact CB-CG 4.07Å; L454-L458 HydrophobicContact CD1-CD2 4.46Å; L454-L458 HydrophobicContact CD1-CG 4.36Å; L454-L458 PolarHBondContact N-O 2.85Å; H455-L458 HydrophobicContact CB-CB 4.05Å; H455-L458 HydrophobicContact CB-CD2 4.24Å; H455-L458 PolarHBondContact N-O 2.84Å; H455-L458 PolarHBondContact O-N 2.96Å; H455-L458 VanDerWaalsContact O-O 3.06Å; N456-L458 VanDerWaalsContact C-N 3.33Å
459	Y	98.4	Very high	93.9	Very high	1 Å²	1	13.7 Å²	13.7	0%	0.004	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	152.6	-170.9	-54.5	-87.2	0	0	0	112	I310 V311 V312 I313 F452 V453 V481 L484 A485	I310-Y459 HydrophobicContact CG2-CD2 4.08Å; I310-Y459 HydrophobicContact CG2-CE2 3.94Å; V311-Y459 PolarHBondContact O-N 2.82Å; V312-Y459 HydrophobicContact CG2-CD2 4.34Å; I313-Y459 PolarHBondContact N-O 3.16Å; F452-Y459 CarbonylContact O-C 3.57Å; F452-Y459 WeakPolarHBondContact O-CA 3.25Å; F452-Y459 WeakPolarHBondContact O-CB 3.28Å; V453-Y459 HydrophobicContact CG2-CD1 4.07Å; V453-Y459 HydrophobicContact CG2-CE1 4.05Å; Y459-V481 VanDerWaalsContact CB-CG1 3.42Å; Y459-V481 HydrophobicContact CD1-CG1 4.34Å; Y459-V481 HydrophobicContact CD2-CG1 4.34Å; Y459-V481 HydrophobicContact CG-CG1 3.8Å; Y459-L484 HydrophobicContact CD1-CB 4.42Å; Y459-L484 HydrophobicContact CD1-CD1 4.44Å; Y459-L484 HydrophobicContact CE1-CB 3.97Å; Y459-L484 PolarHBondContact OH-O 2.76Å; Y459-A485 HydrophobicContact CD2-CB 4.35Å; Y459-A485 HydrophobicContact CE2-CB 3.73Å; Y459-A485 WeakPolarHBondContact OH-CA 3.12Å
460	Y	98	Very high	94.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	100.1	179.6	175.1	-128.9	0	0	0	111	I313 T315 P316 L317 H318 P450 F452 L454 N462 A463	I313-Y460 HydrophobicContact CB-CD2 4Å; I313-Y460 HydrophobicContact CG2-CD2 3.88Å; I313-Y460 HydrophobicContact CG2-CE2 4.32Å; T315-Y460 WeakPolarHBondContact O-CE2 3.06Å; P316-Y460 WeakPolarHBondContact CA-OH 3.46Å; L317-Y460 HydrophobicContact CB-CE2 4.28Å; L317-Y460 HydrophobicContact CD1-CD1 4.48Å; L317-Y460 HydrophobicContact CD1-CD2 3.9Å; L317-Y460 HydrophobicContact CD1-CE2 4.12Å; L317-Y460 HydrophobicContact CD1-CG 4.09Å; L317-Y460 HydrophobicContact CG-CD2 4.1Å; L317-Y460 HydrophobicContact CG-CE2 3.86Å; L317-Y460 PolarHBondContact N-OH 3.23Å; H318-Y460 PolarHBondContact CE1-OH 2.79Å; P450-Y460 HydrophobicContact CB-CD1 3.84Å; P450-Y460 HydrophobicContact CB-CE1 3.67Å; P450-Y460 HydrophobicContact CG-CD1 4.15Å; P450-Y460 HydrophobicContact CG-CE1 3.52Å; F452-Y460 WeakPolarHBondContact CD1-O 3.38Å; F452-Y460 PolarHBondContact O-N 2.78Å; L454-Y460 HydrophobicContact CD2-CD1 4.46Å; L454-Y460 HydrophobicContact CD2-CG 4.48Å; Y460-N462 HydrophobicContact CD2-CB 4.46Å; Y460-N462 HydrophobicContact CE2-CB 3.62Å; Y460-A463 HydrophobicContact CD1-CB 3.78Å; Y460-A463 HydrophobicContact CE1-CB 3.92Å; Y460-A463 VanDerWaalsContact CE1-N 3.34Å
461	L	96.5	Very high	95.3	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-79.1	-29.4	-173.2	75.8	84.4	0	0	0	112.8	G45 A49 V312 I313 A314 A463 V464 S477 A478 V481	G45-L461 WeakPolarHBondContact O-CD2 3.36Å; A49-L461 HydrophobicContact CB-CD2 3.85Å; V312-L461 HydrophobicContact CG1-CD2 3.81Å; I313-L461 PolarHBondContact O-N 3.28Å; A314-L461 HydrophobicContact CB-CD1 4.38Å; A314-L461 HydrophobicContact CB-CD2 3.64Å; A314-L461 HydrophobicContact CB-CG 4.04Å; L461-A463 PolarHBondContact O-N 2.85Å; L461-V464 WeakPolarHBondContact O-CG1 3.26Å; L461-V464 PolarHBondContact O-N 2.85Å; L461-S477 WeakPolarHBondContact CA-OG 3.43Å; L461-S477 WeakPolarHBondContact CB-OG 3.19Å; L461-S477 PolarHBondContact O-OG 2.98Å; L461-A478 HydrophobicContact CD2-CB 4.42Å; L461-V481 HydrophobicContact CB-CG2 3.95Å
462	N	95.4	Very high	95.6	Very high	8 Å²	8	13.1 Å²	13.1	4%	0.043	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-72.8	2.4	-179.2	-60.3	48.7	0	0	0	112.8	A314 P316 Y460 V464 E465	A314-N462 WeakPolarHBondContact CA-OD1 3.33Å; A314-N462 PolarHBondContact O-ND2 3.42Å; A314-N462 PolarHBondContact O-OD1 3.23Å; P316-N462 HydrophobicContact CG-CB 4.49Å; Y460-N462 HydrophobicContact CD2-CB 4.46Å; Y460-N462 HydrophobicContact CE2-CB 3.62Å; N462-V464 PolarHBondContact O-N 2.81Å; N462-E465 HydrophobicContact CB-CG 4.3Å; N462-E465 PolarHBondContact ND2-OE1 3.38Å; N462-E465 WeakPolarHBondContact O-CB 3.29Å; N462-E465 PolarHBondContact O-N 3.28Å; N462-E465 VanDerWaalsContact O-N 3.16Å
463	A	94.9	Very high	95.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-51.8	-36.6	163.2	0	0	0	0	0	112	V179 P450 F452 Y460 L461 E465 W466	V179-A463 HydrophobicContact CG2-CB 3.79Å; P450-A463 HydrophobicContact CB-CB 4.42Å; P450-A463 HydrophobicContact CG-CB 4.02Å; P450-A463 WeakPolarHBondContact O-CB 3.31Å; F452-A463 HydrophobicContact CD1-CB 3.9Å; F452-A463 HydrophobicContact CE1-CB 4.02Å; Y460-A463 HydrophobicContact CD1-CB 3.78Å; Y460-A463 HydrophobicContact CE1-CB 3.92Å; Y460-A463 VanDerWaalsContact CE1-N 3.34Å; L461-A463 PolarHBondContact O-N 2.85Å; A463-E465 PolarHBondContact O-N 3.08Å; A463-E465 VanDerWaalsContact O-N 3.15Å; A463-W466 WeakPolarHBondContact O-CB 3.15Å; A463-W466 PolarHBondContact O-N 2.85Å; A463-W466 VanDerWaalsContact O-N 3.15Å
464	V	95.8	Very high	95.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-59.6	-26.8	-180	76.7	0	0	0	0	113.5	F452 L461 N462 W466 A467 A468 M473	F452-V464 HydrophobicContact CE1-CB 4.11Å; F452-V464 HydrophobicContact CZ-CB 4.3Å; L461-V464 WeakPolarHBondContact O-CG1 3.26Å; L461-V464 PolarHBondContact O-N 2.85Å; N462-V464 PolarHBondContact O-N 2.81Å; V464-W466 PolarHBondContact O-N 3.14Å; V464-W466 VanDerWaalsContact O-N 3.13Å; V464-A467 WeakPolarHBondContact O-CB 3.37Å; V464-A467 PolarHBondContact O-N 2.8Å; V464-A468 PolarHBondContact O-N 3.49Å; V464-A468 VanDerWaalsContact O-N 3.11Å; V464-M473 HydrophobicContact CG2-CB 4.22Å; V464-M473 HydrophobicContact CG2-CE 3.6Å
465	E	94.5	Very high	95.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-62.1	-25.8	-179	-65.9	-167.3	-142.9	0	0	112.2	R74 Y341 P440 Y442 N462 A463 A467 A468 S469	R74-E465 IonicContact CZ-OE1 3.43Å; R74-E465 IonicContact CZ-OE2 2.96Å; R74-E465 VanDerWaalsContact CZ-OE2 3.32Å; R74-E465 IonicContact NH1-OE1 2.66Å; R74-E465 IonicContact NH1-OE2 3.93Å; R74-E465 PolarHBondContact NH1-OE2 2.94Å; R74-E465 IonicContact NH2-OE1 2.66Å; R74-E465 PolarHBondContact NH2-OE1 3.3Å; R74-E465 IonicContact NH2-OE2 3.42Å; R74-E465 PolarHBondContact NH2-OE2 3.44Å; Y341-E465 PolarHBondContact OH-OE2 2.97Å; P440-E465 HydrophobicContact CG-CB 4.25Å; P440-E465 WeakPolarHBondContact CG-O 2.87Å; Y442-E465 WeakPolarHBondContact CE1-O 2.97Å; Y442-E465 PolarHBondContact OH-O 3.46Å; N462-E465 HydrophobicContact CB-CG 4.3Å; N462-E465 PolarHBondContact ND2-OE1 3.38Å; N462-E465 WeakPolarHBondContact O-CB 3.29Å; N462-E465 PolarHBondContact O-N 3.28Å; N462-E465 VanDerWaalsContact O-N 3.16Å; A463-E465 PolarHBondContact O-N 3.08Å; A463-E465 VanDerWaalsContact O-N 3.15Å; E465-A467 VanDerWaalsContact C-N 3.31Å; E465-A468 CarbonylContact O-C 3.57Å; E465-S469 PolarHBondContact O-N 3.38Å; E465-S469 PolarHBondContact OE2-OG 3.47Å
466	W	92.4	Very high	96	Very high	17 Å²	17	9.1 Å²	9.1	6%	0.064	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-74.1	-21.6	176.5	-73.6	86.8	0	0	0	113.2	M195 H318 G339 Y341 P440 H446 T449 A463 V464	M195-W466 WeakPolarHBondContact CE-O 3.4Å; H318-W466 AromaticContact CD2-CE2 3.79Å; H318-W466 AromaticContact CD2-CZ2 3.29Å; H318-W466 WeakPolarHBondContact CD2-CZ2 3.36Å; H318-W466 AromaticContact CD2-NE1 3.82Å; H318-W466 AromaticContact CE1-CE2 3.8Å; H318-W466 AromaticContact CE1-NE1 3.04Å; H318-W466 PolarHBondContact CE1-NE1 2.85Å; H318-W466 AromaticContact ND1-NE1 3.8Å; H318-W466 AromaticContact NE2-CE2 3.27Å; H318-W466 VanDerWaalsContact NE2-CE2 3.27Å; H318-W466 AromaticContact NE2-CZ2 3.31Å; H318-W466 VanDerWaalsContact NE2-CZ2 3.31Å; H318-W466 WeakPolarHBondContact NE2-CZ2 3.5Å; H318-W466 AromaticContact NE2-NE1 2.98Å; H318-W466 PolarHBondContact NE2-NE1 3.14Å; G339-W466 VanDerWaalsContact CA-CH2 3.47Å; Y341-W466 HydrophobicContact CD2-CZ2 4.5Å; Y341-W466 HydrophobicContact CE2-CZ2 4.01Å; P440-W466 HydrophobicContact CB-CD2 3.97Å; P440-W466 HydrophobicContact CB-CE3 3.91Å; P440-W466 HydrophobicContact CB-CH2 3.94Å; P440-W466 HydrophobicContact CB-CZ2 4.07Å; P440-W466 HydrophobicContact CB-CZ3 3.9Å; P440-W466 HydrophobicContact CG-CD2 4.07Å; P440-W466 HydrophobicContact CG-CG 4.28Å; P440-W466 HydrophobicContact CG-CZ2 4.33Å; H446-W466 AromaticContact CE1-CE3 3.59Å; H446-W466 PolarHBondContact CE1-O 3.36Å; H446-W466 AromaticContact NE2-CE3 3.98Å; T449-W466 HydrophobicContact CG2-CB 3.65Å; A463-W466 WeakPolarHBondContact O-CB 3.15Å; A463-W466 PolarHBondContact O-N 2.85Å; A463-W466 VanDerWaalsContact O-N 3.15Å; V464-W466 PolarHBondContact O-N 3.14Å; V464-W466 VanDerWaalsContact O-N 3.13Å
467	A	92.8	Very high	96.3	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-56.5	166	0	0	0	0	0	111.2	V179 L183 M195 V235 V464 E465 M473	V179-A467 HydrophobicContact CG1-CB 3.51Å; L183-A467 HydrophobicContact CD1-CB 3.87Å; L183-A467 HydrophobicContact CD2-CB 4.33Å; L183-A467 HydrophobicContact CG-CB 4.43Å; M195-A467 HydrophobicContact CE-CB 4.36Å; M195-A467 HydrophobicContact SD-CB 4.19Å; V235-A467 WeakPolarHBondContact CG2-O 3.47Å; V464-A467 WeakPolarHBondContact O-CB 3.37Å; V464-A467 PolarHBondContact O-N 2.8Å; E465-A467 VanDerWaalsContact C-N 3.31Å; A467-M473 HydrophobicContact CB-CE 4.48Å
468	A	93.3	Very high	96.5	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.031	C	C	.	.			trans	-164.2	131.9	170.3	0	0	0	0	0	109	F234 V235 V238 V464 E465 M473	F234-A468 HydrophobicContact CD1-CB 4.02Å; F234-A468 HydrophobicContact CE1-CB 3.97Å; V235-A468 HydrophobicContact CG2-CB 4.21Å; V238-A468 HydrophobicContact CB-CB 4.23Å; V238-A468 HydrophobicContact CG1-CB 4.38Å; V238-A468 HydrophobicContact CG2-CB 3.75Å; V464-A468 PolarHBondContact O-N 3.49Å; V464-A468 VanDerWaalsContact O-N 3.11Å; E465-A468 CarbonylContact O-C 3.57Å; A468-M473 HydrophobicContact CB-CE 4.41Å; A468-M473 HydrophobicContact CB-CG 4.26Å; A468-M473 VanDerWaalsContact O-CB 3.31Å; A468-M473 WeakPolarHBondContact O-CB 3.4Å; A468-M473 WeakPolarHBondContact O-CG 3.38Å
469	S	94.6	Very high	96.6	Very high	10 Å²	10	6.5 Å²	6.5	7%	0.07	4%	0.037	C	C	.	.			trans	-90.6	116.2	174.5	-171.2	0	0	0	0	109	Y225 Y442 E465	Y225-S469 WeakPolarHBondContact CE1-O 3.18Å; Y225-S469 PolarHBondContact OH-O 3.38Å; Y442-S469 VanDerWaalsContact OH-CB 3.3Å; Y442-S469 WeakPolarHBondContact OH-CB 3.38Å; Y442-S469 PolarHBondContact OH-N 2.94Å; E465-S469 PolarHBondContact O-N 3.38Å; E465-S469 PolarHBondContact OE2-OG 3.47Å
470	A	96.1	Very high	96.6	Very high	34 Å²	34	6.5 Å²	6.5	28%	0.281	4%	0.037	S	C	.	.			trans	-156.4	164	173.2	0	0	0	0	0	108.6	V238 M473 S474	V238-A470 HydrophobicContact CG1-CB 4.24Å; A470-M473 HydrophobicContact CB-CB 4.33Å; A470-M473 HydrophobicContact CB-CG 3.99Å; A470-M473 PolarHBondContact O-N 3.01Å; A470-S474 PolarHBondContact O-N 2.91Å; A470-S474 VanDerWaalsContact O-N 3.15Å; A470-S474 PolarHBondContact O-OG 2.89Å
471	M	97.6	Very high	96.6	Very high	18 Å²	18	6.5 Å²	6.5	9%	0.089	4%	0.037	C	C	.	.	H	α-helix	trans	-55.1	-54.8	176.3	-75.1	-178	-88.3	0	0	111	L75 V91 I92 M99 N254 M473 S474 V475	L75-M471 HydrophobicContact CD1-CG 4.22Å; L75-M471 HydrophobicContact CD1-SD 3.87Å; L75-M471 HydrophobicContact CD2-CE 4.48Å; L75-M471 HydrophobicContact CD2-CG 3.73Å; L75-M471 HydrophobicContact CD2-SD 3.54Å; L75-M471 VanDerWaalsContact CD2-SD 3.54Å; L75-M471 HydrophobicContact CG-SD 4.37Å; V91-M471 WeakPolarHBondContact O-CE 3.31Å; I92-M471 HydrophobicContact CD1-CE 4.39Å; I92-M471 HydrophobicContact CD1-SD 4.45Å; I92-M471 HydrophobicContact CG1-CE 3.49Å; I92-M471 VanDerWaalsContact CG1-CE 3.49Å; I92-M471 HydrophobicContact CG1-SD 4.08Å; M99-M471 HydrophobicContact CE-SD 3.92Å; M99-M471 HydrophobicContact CG-CB 4.47Å; M99-M471 HydrophobicContact SD-CB 4.38Å; N254-M471 HydrophobicContact CB-SD 4.3Å; M471-M473 PolarHBondContact O-N 2.79Å; M471-S474 WeakPolarHBondContact O-CB 3.41Å; M471-S474 PolarHBondContact O-N 3.04Å; M471-S474 VanDerWaalsContact O-N 3.11Å; M471-V475 WeakPolarHBondContact O-CG2 3.46Å; M471-V475 PolarHBondContact O-N 3.06Å; M471-V475 VanDerWaalsContact O-N 3.09Å
472	E	97.9	Very high	96.7	Very high	3 Å²	3	6.5 Å²	6.5	1%	0.014	4%	0.037	C	C	.	.	H	α-helix	trans	-63.9	-39.6	-176.4	-165.7	66.3	-169.7	0	0	112.6	N96 L97 H98 M99 Y167 S474 V475 I476	N96-E472 HydrophobicContact CB-CB 3.99Å; N96-E472 HydrophobicContact CB-CG 3.89Å; N96-E472 WeakPolarHBondContact CB-OE2 3.14Å; L97-E472 PolarHBondContact N-OE1 3.5Å; H98-E472 VanDerWaalsContact CB-OE1 3.23Å; H98-E472 WeakPolarHBondContact CB-OE1 3.25Å; H98-E472 IonicContact CD2-OE1 2.72Å; H98-E472 PolarHBondContact CD2-OE1 2.9Å; H98-E472 VanDerWaalsContact CD2-OE1 3.29Å; H98-E472 IonicContact CG-OE1 3.98Å; H98-E472 PolarHBondContact N-OE1 2.9Å; M99-E472 WeakPolarHBondContact CG-OE2 3.45Å; M99-E472 PolarHBondContact N-OE2 3.26Å; Y167-E472 VanDerWaalsContact CE1-OE1 3.23Å; Y167-E472 WeakPolarHBondContact CE1-OE1 3.43Å; Y167-E472 WeakPolarHBondContact OH-CG 3.38Å; Y167-E472 PolarHBondContact OH-OE1 3.38Å; E472-S474 VanDerWaalsContact C-N 3.26Å; E472-S474 PolarHBondContact O-N 2.83Å; E472-V475 PolarHBondContact O-N 2.83Å; E472-V475 VanDerWaalsContact O-N 3.08Å; E472-I476 HydrophobicContact CG-CD1 3.95Å; E472-I476 HydrophobicContact CG-CG1 4.35Å; E472-I476 WeakPolarHBondContact O-CB 3.29Å; E472-I476 WeakPolarHBondContact O-CG1 3.42Å; E472-I476 PolarHBondContact O-N 3.04Å
473	M	97.7	Very high	96.9	Very high	4 Å²	4	6.2 Å²	6.2	2%	0.02	4%	0.035	C	C	.	.	H	α-helix	trans	-57.5	-41.5	175	-66.9	-61.9	-63.7	0	0	111.7	F163 F234 V464 A467 A468 A470 M471 S477	F163-M473 HydrophobicContact CE2-SD 3.55Å; F163-M473 VanDerWaalsContact CE2-SD 3.55Å; F163-M473 HydrophobicContact CZ-SD 3.99Å; F234-M473 HydrophobicContact CE1-CE 4.06Å; V464-M473 HydrophobicContact CG2-CB 4.22Å; V464-M473 HydrophobicContact CG2-CE 3.6Å; A467-M473 HydrophobicContact CB-CE 4.48Å; A468-M473 HydrophobicContact CB-CE 4.41Å; A468-M473 HydrophobicContact CB-CG 4.26Å; A468-M473 VanDerWaalsContact O-CB 3.31Å; A468-M473 WeakPolarHBondContact O-CB 3.4Å; A468-M473 WeakPolarHBondContact O-CG 3.38Å; A470-M473 HydrophobicContact CB-CB 4.33Å; A470-M473 HydrophobicContact CB-CG 3.99Å; A470-M473 PolarHBondContact O-N 3.01Å; M471-M473 PolarHBondContact O-N 2.79Å; M473-S477 WeakPolarHBondContact O-CB 3.46Å; M473-S477 PolarHBondContact O-N 2.57Å
474	S	98.3	Very high	97	Very high	9 Å²	9	6.2 Å²	6.2	6%	0.063	4%	0.035	C	C	.	.	H	α-helix	trans	-66.4	-38.1	177.2	-54.9	0	0	0	0	111.8	A470 M471 E472 A478	A470-S474 PolarHBondContact O-N 2.91Å; A470-S474 VanDerWaalsContact O-N 3.15Å; A470-S474 PolarHBondContact O-OG 2.89Å; M471-S474 WeakPolarHBondContact O-CB 3.41Å; M471-S474 PolarHBondContact O-N 3.04Å; M471-S474 VanDerWaalsContact O-N 3.11Å; E472-S474 VanDerWaalsContact C-N 3.26Å; E472-S474 PolarHBondContact O-N 2.83Å; S474-A478 WeakPolarHBondContact O-CB 3.38Å; S474-A478 PolarHBondContact O-N 3.22Å
475	V	98.8	Very high	97.1	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-72	-41.7	178.1	179.8	0	0	0	0	111.8	I44 A48 Y52 H98 M99 F102 M471 E472 S477 A478 R479	I44-V475 HydrophobicContact CD1-CG2 4.15Å; I44-V475 HydrophobicContact CG1-CG2 3.62Å; A48-V475 HydrophobicContact CB-CB 4.5Å; A48-V475 HydrophobicContact CB-CG1 4.14Å; A48-V475 HydrophobicContact CB-CG2 4.19Å; Y52-V475 HydrophobicContact CE2-CG1 3.98Å; H98-V475 HydrophobicContact CB-CB 4.27Å; H98-V475 HydrophobicContact CB-CG1 3.35Å; M99-V475 HydrophobicContact SD-CG2 4.13Å; F102-V475 HydrophobicContact CE2-CB 4.38Å; F102-V475 HydrophobicContact CE2-CG1 3.42Å; F102-V475 VanDerWaalsContact CE2-CG1 3.42Å; F102-V475 HydrophobicContact CE2-CG2 3.95Å; F102-V475 HydrophobicContact CZ-CG1 3.64Å; M471-V475 WeakPolarHBondContact O-CG2 3.46Å; M471-V475 PolarHBondContact O-N 3.06Å; M471-V475 VanDerWaalsContact O-N 3.09Å; E472-V475 PolarHBondContact O-N 2.83Å; E472-V475 VanDerWaalsContact O-N 3.08Å; V475-S477 VanDerWaalsContact C-N 3.29Å; V475-S477 PolarHBondContact O-N 3.36Å; V475-A478 WeakPolarHBondContact O-CB 3.39Å; V475-A478 PolarHBondContact O-N 3.29Å; V475-A478 VanDerWaalsContact O-N 3.16Å; V475-R479 PolarHBondContact O-N 2.75Å
476	I	98.7	Very high	97.3	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-57.4	-46.4	172.5	-73.2	166.3	0	0	0	109.7	F163 I166 Q170 L182 E472 A478 R479 N480	F163-I476 HydrophobicContact CE1-CD1 3.95Å; F163-I476 HydrophobicContact CE2-CD1 4.08Å; F163-I476 HydrophobicContact CZ-CD1 3.34Å; I166-I476 HydrophobicContact CD1-CG2 4.47Å; I166-I476 HydrophobicContact CG1-CG2 3.68Å; I166-I476 HydrophobicContact CG2-CD1 3.91Å; I166-I476 HydrophobicContact CG2-CG1 4.36Å; Q170-I476 PolarHBondContact NE2-O 3.13Å; L182-I476 HydrophobicContact CD1-CG2 4.16Å; E472-I476 HydrophobicContact CG-CD1 3.95Å; E472-I476 HydrophobicContact CG-CG1 4.35Å; E472-I476 WeakPolarHBondContact O-CB 3.29Å; E472-I476 WeakPolarHBondContact O-CG1 3.42Å; E472-I476 PolarHBondContact O-N 3.04Å; I476-A478 VanDerWaalsContact C-N 3.34Å; I476-A478 PolarHBondContact O-N 2.72Å; I476-R479 PolarHBondContact O-N 2.5Å; I476-N480 VanDerWaalsContact O-CB 3.31Å; I476-N480 WeakPolarHBondContact O-CB 3.4Å; I476-N480 PolarHBondContact O-N 3.18Å
477	S	98.6	Very high	97.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.3	-40.2	176.5	-175.6	0	0	0	0	112.3	F452 L461 M473 V475 N480 V481	F452-S477 WeakPolarHBondContact CE1-OG 3.37Å; L461-S477 WeakPolarHBondContact CA-OG 3.43Å; L461-S477 WeakPolarHBondContact CB-OG 3.19Å; L461-S477 PolarHBondContact O-OG 2.98Å; M473-S477 WeakPolarHBondContact O-CB 3.46Å; M473-S477 PolarHBondContact O-N 2.57Å; V475-S477 VanDerWaalsContact C-N 3.29Å; V475-S477 PolarHBondContact O-N 3.36Å; S477-N480 WeakPolarHBondContact O-CB 3.32Å; S477-N480 PolarHBondContact O-N 3.25Å; S477-V481 WeakPolarHBondContact O-CB 3.47Å; S477-V481 WeakPolarHBondContact O-CG2 3.29Å; S477-V481 PolarHBondContact O-N 2.97Å
478	A	98.8	Very high	97.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.2	-46.7	175.8	0	0	0	0	0	112.5	G45 A48 A49 L461 S474 V475 I476 N480 V481 A482	G45-A478 VanDerWaalsContact O-CB 3.24Å; G45-A478 WeakPolarHBondContact O-CB 2.82Å; A48-A478 HydrophobicContact CB-CB 3.79Å; A49-A478 HydrophobicContact CB-CB 3.96Å; L461-A478 HydrophobicContact CD2-CB 4.42Å; S474-A478 WeakPolarHBondContact O-CB 3.38Å; S474-A478 PolarHBondContact O-N 3.22Å; V475-A478 WeakPolarHBondContact O-CB 3.39Å; V475-A478 PolarHBondContact O-N 3.29Å; V475-A478 VanDerWaalsContact O-N 3.16Å; I476-A478 VanDerWaalsContact C-N 3.34Å; I476-A478 PolarHBondContact O-N 2.72Å; A478-N480 VanDerWaalsContact C-N 3.35Å; A478-V481 PolarHBondContact O-N 2.99Å; A478-A482 WeakPolarHBondContact O-CB 3.18Å; A478-A482 PolarHBondContact O-N 2.92Å
479	R	98.8	Very high	97.7	Very high	31 Å²	31	12.2 Å²	12.2	12%	0.117	6%	0.059	C	C	.	.	H	α-helix	trans	-60.9	-44.6	173.9	-177.3	66.7	-175.4	156.9	12.1	111.2	Y52 E55 E56 Q170 V475 I476 V481 A482 L483	Y52-R479 VanDerWaalsContact CD1-CD 3.43Å; Y52-R479 HydrophobicContact CD2-CB 3.67Å; Y52-R479 HydrophobicContact CD2-CG 4.36Å; Y52-R479 HydrophobicContact CE2-CB 3.6Å; Y52-R479 HydrophobicContact CE2-CG 4.29Å; Y52-R479 HydrophobicContact CG-CB 4.28Å; E55-R479 IonicContact OE2-NH1 2.7Å; E56-R479 IonicContact OE1-CZ 3.26Å; E56-R479 IonicContact OE1-NH1 3.73Å; E56-R479 PolarHBondContact OE1-NH1 2.98Å; E56-R479 IonicContact OE1-NH2 3.09Å; E56-R479 PolarHBondContact OE1-NH2 3.47Å; Q170-R479 HydrophobicContact CB-CG 3.94Å; Q170-R479 HydrophobicContact CG-CG 4.02Å; V475-R479 PolarHBondContact O-N 2.75Å; I476-R479 PolarHBondContact O-N 2.5Å; R479-V481 PolarHBondContact O-N 3.2Å; R479-A482 PolarHBondContact O-N 2.92Å; R479-L483 HydrophobicContact CG-CD1 4.24Å; R479-L483 WeakPolarHBondContact O-CG 3.43Å; R479-L483 PolarHBondContact O-N 2.66Å
480	N	98.8	Very high	97.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.9	-46.5	177.6	-178.3	68.2	0	0	0	112.1	S175 F176 L182 F452 I476 S477 A478 L483 L484	S175-N480 WeakPolarHBondContact CA-OD1 3.29Å; F176-N480 PolarHBondContact N-OD1 2.88Å; F176-N480 PolarHBondContact O-ND2 2.8Å; L182-N480 HydrophobicContact CD1-CB 4.18Å; F452-N480 WeakPolarHBondContact CD2-ND2 3.25Å; I476-N480 VanDerWaalsContact O-CB 3.31Å; I476-N480 WeakPolarHBondContact O-CB 3.4Å; I476-N480 PolarHBondContact O-N 3.18Å; S477-N480 WeakPolarHBondContact O-CB 3.32Å; S477-N480 PolarHBondContact O-N 3.25Å; A478-N480 VanDerWaalsContact C-N 3.35Å; N480-L483 PolarHBondContact O-N 3.18Å; N480-L484 WeakPolarHBondContact O-CB 3.46Å; N480-L484 WeakPolarHBondContact O-CG 3.39Å; N480-L484 PolarHBondContact O-N 3.39Å
481	V	98.6	Very high	97.4	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-68.3	-37.6	179	166.7	0	0	0	0	112	V312 F452 Y459 L461 S477 A478 R479 L484 A485	V312-V481 HydrophobicContact CG1-CG1 3.88Å; V312-V481 HydrophobicContact CG2-CG1 3.85Å; F452-V481 HydrophobicContact CB-CG2 4.37Å; F452-V481 HydrophobicContact CD1-CG2 4.35Å; Y459-V481 VanDerWaalsContact CB-CG1 3.42Å; Y459-V481 HydrophobicContact CD1-CG1 4.34Å; Y459-V481 HydrophobicContact CD2-CG1 4.34Å; Y459-V481 HydrophobicContact CG-CG1 3.8Å; L461-V481 HydrophobicContact CB-CG2 3.95Å; S477-V481 WeakPolarHBondContact O-CB 3.47Å; S477-V481 WeakPolarHBondContact O-CG2 3.29Å; S477-V481 PolarHBondContact O-N 2.97Å; A478-V481 PolarHBondContact O-N 2.99Å; R479-V481 PolarHBondContact O-N 3.2Å; V481-L484 PolarHBondContact O-N 2.66Å; V481-A485 VanDerWaalsContact O-CB 3.29Å; V481-A485 WeakPolarHBondContact O-CB 3.38Å; V481-A485 PolarHBondContact O-N 3.05Å
482	A	98.8	Very high	97.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.8	-45.5	174.5	0	0	0	0	0	111.5	L53 E56 A478 R479 A485 H486	L53-A482 HydrophobicContact CD2-CB 4.14Å; L53-A482 HydrophobicContact CG-CB 4.18Å; E56-A482 HydrophobicContact CG-CB 4.37Å; A478-A482 WeakPolarHBondContact O-CB 3.18Å; A478-A482 PolarHBondContact O-N 2.92Å; R479-A482 PolarHBondContact O-N 2.92Å; A482-A485 WeakPolarHBondContact O-CB 3.49Å; A482-A485 PolarHBondContact O-N 3Å; A482-H486 PolarHBondContact O-N 2.63Å
483	L	98.6	Very high	96.8	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-62.6	-47.2	174.1	-72.4	172	0	0	0	111.8	E56 Q170 Y174 R479 N480 A485 H486 H487	E56-L483 HydrophobicContact CG-CD2 4.5Å; Q170-L483 HydrophobicContact CB-CD1 4.25Å; Q170-L483 HydrophobicContact CG-CD1 4.29Å; Y174-L483 WeakPolarHBondContact O-CD1 3.44Å; R479-L483 HydrophobicContact CG-CD1 4.24Å; R479-L483 WeakPolarHBondContact O-CG 3.43Å; R479-L483 PolarHBondContact O-N 2.66Å; N480-L483 PolarHBondContact O-N 3.18Å; L483-A485 VanDerWaalsContact C-N 3.27Å; L483-A485 PolarHBondContact O-N 3.46Å; L483-H486 PolarHBondContact O-N 3.41Å; L483-H487 WeakPolarHBondContact O-CB 3.48Å; L483-H487 PolarHBondContact O-N 3.02Å; L483-H487 PolarHBondContact O-ND1 3.05Å; L483-H487 VanDerWaalsContact O-ND1 3.12Å
484	L	97.9	Very high	96.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.5	-41	174.5	-81.8	178	0	0	0	112.3	F176 F452 V453 Y459 N480 V481 R488 I496	F176-L484 VanDerWaalsContact O-CD1 3.28Å; F176-L484 WeakPolarHBondContact O-CD1 3.45Å; F452-L484 HydrophobicContact CB-CD1 4.07Å; V453-L484 HydrophobicContact CG2-CD1 4.1Å; Y459-L484 HydrophobicContact CD1-CB 4.42Å; Y459-L484 HydrophobicContact CD1-CD1 4.44Å; Y459-L484 HydrophobicContact CE1-CB 3.97Å; Y459-L484 PolarHBondContact OH-O 2.76Å; N480-L484 WeakPolarHBondContact O-CB 3.46Å; N480-L484 WeakPolarHBondContact O-CG 3.39Å; N480-L484 PolarHBondContact O-N 3.39Å; V481-L484 PolarHBondContact O-N 2.66Å; L484-R488 VanDerWaalsContact O-CB 3.25Å; L484-R488 WeakPolarHBondContact O-CB 3.42Å; L484-R488 WeakPolarHBondContact O-CG 3.42Å; L484-R488 PolarHBondContact O-N 3.25Å; L484-I496 HydrophobicContact CD2-CG1 4.42Å; L484-I496 HydrophobicContact CD2-CG2 3.91Å
485	A	98	Very high	96.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-47.9	177.5	0	0	0	0	0	110.7	L53 F57 I310 Y459 V481 A482 L483 W489	L53-A485 HydrophobicContact CD2-CB 4.12Å; F57-A485 HydrophobicContact CE2-CB 4.04Å; F57-A485 HydrophobicContact CZ-CB 4.16Å; I310-A485 HydrophobicContact CD1-CB 4.46Å; I310-A485 HydrophobicContact CG2-CB 4.47Å; Y459-A485 HydrophobicContact CD2-CB 4.35Å; Y459-A485 HydrophobicContact CE2-CB 3.73Å; Y459-A485 WeakPolarHBondContact OH-CA 3.12Å; V481-A485 VanDerWaalsContact O-CB 3.29Å; V481-A485 WeakPolarHBondContact O-CB 3.38Å; V481-A485 PolarHBondContact O-N 3.05Å; A482-A485 WeakPolarHBondContact O-CB 3.49Å; A482-A485 PolarHBondContact O-N 3Å; L483-A485 VanDerWaalsContact C-N 3.27Å; L483-A485 PolarHBondContact O-N 3.46Å; A485-W489 WeakPolarHBondContact O-CB 3.49Å; A485-W489 PolarHBondContact O-N 3Å
486	H	97.7	Very high	96.4	Very high	30 Å²	30	33.5 Å²	33.5	14%	0.139	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-53.7	177.9	-174.6	86.9	0	0	0	112.1	E56 F57 A482 L483 R488 W489 H490	E56-H486 HydrophobicContact CB-CB 4Å; E56-H486 HydrophobicContact CG-CB 4.41Å; E56-H486 PolarHBondContact O-CE1 2.85Å; E56-H486 VanDerWaalsContact O-CE1 3.26Å; E56-H486 PolarHBondContact O-ND1 2.97Å; F57-H486 HydrophobicContact CE2-CB 4.45Å; F57-H486 HydrophobicContact CZ-CB 4.2Å; A482-H486 PolarHBondContact O-N 2.63Å; L483-H486 PolarHBondContact O-N 3.41Å; H486-R488 PolarHBondContact O-N 3.21Å; H486-W489 WeakPolarHBondContact O-CB 3.49Å; H486-W489 PolarHBondContact O-N 2.87Å; H486-W489 VanDerWaalsContact O-N 3.14Å; H486-H490 AromaticContact CD2-CD2 3.91Å; H486-H490 AromaticContact CE1-CD2 3.34Å; H486-H490 PolarHBondContact CE1-CD2 3.26Å; H486-H490 AromaticContact CE1-NE2 3.57Å; H486-H490 AromaticContact CG-CD2 3.98Å; H486-H490 AromaticContact ND1-CD2 3.63Å; H486-H490 AromaticContact ND1-NE2 3.89Å; H486-H490 AromaticContact NE2-CD2 3.48Å; H486-H490 PolarHBondContact NE2-CD2 3.27Å; H486-H490 PolarHBondContact O-CD2 2.83Å; H486-H490 PolarHBondContact O-N 2.87Å
487	H	97.3	Very high	96.2	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.028	17%	0.171	C	C	.	.	H	α-helix	trans	-60.3	-44.9	-178.3	-61.8	147.9	0	0	0	112.2	G173 S175 L483 W489 H490 E491 Q492 I496	G173-H487 PolarHBondContact O-CE1 3.37Å; G173-H487 PolarHBondContact O-NE2 3.41Å; G173-H487 VanDerWaalsContact O-NE2 3.16Å; S175-H487 PolarHBondContact OG-ND1 3.31Å; L483-H487 WeakPolarHBondContact O-CB 3.48Å; L483-H487 PolarHBondContact O-N 3.02Å; L483-H487 PolarHBondContact O-ND1 3.05Å; L483-H487 VanDerWaalsContact O-ND1 3.12Å; H487-W489 VanDerWaalsContact C-N 3.32Å; H487-W489 PolarHBondContact O-N 3.08Å; H487-H490 CarbonylContact O-C 3.47Å; H487-H490 PolarHBondContact O-N 3.16Å; H487-E491 CarbonylContact O-C 3.58Å; H487-E491 WeakPolarHBondContact O-CA 3.24Å; H487-E491 PolarHBondContact O-N 2.85Å; H487-Q492 HydrophobicContact CB-CB 4.2Å; H487-Q492 PolarHBondContact CD2-OE1 2.85Å; H487-Q492 VanDerWaalsContact CD2-OE1 3.31Å; H487-Q492 PolarHBondContact O-N 3.2Å; H487-I496 HydrophobicContact CB-CD1 3.81Å; H487-I496 HydrophobicContact CB-CG1 3.89Å
488	R	95.1	Very high	96	Very high	93 Å²	93	37.8 Å²	37.8	35%	0.351	18%	0.182	S	C	.	.	H	α-helix	trans	-71.4	-28.9	178.6	-67.3	-178.7	66.3	114.4	4.9	112.5	L484 H486 I496	L484-R488 VanDerWaalsContact O-CB 3.25Å; L484-R488 WeakPolarHBondContact O-CB 3.42Å; L484-R488 WeakPolarHBondContact O-CG 3.42Å; L484-R488 PolarHBondContact O-N 3.25Å; H486-R488 PolarHBondContact O-N 3.21Å; R488-I496 HydrophobicContact CG-CD1 3.65Å
489	W	94.4	Very high	95.5	Very high	14 Å²	14	44 Å²	44	5%	0.053	21%	0.212	C	C	.	.	H	α-helix	trans	-67.3	-40.1	173.4	-173.8	-90.8	0	0	0	111.7	L31 E32 P34 F57 D309 I310 R457 A485 H486 H487	L31-W489 WeakPolarHBondContact CD1-O 3.45Å; E32-W489 VanDerWaalsContact O-CZ2 3.25Å; E32-W489 WeakPolarHBondContact O-CZ2 3.33Å; E32-W489 PolarHBondContact O-NE1 2.87Å; P34-W489 HydrophobicContact CB-CD2 4.42Å; P34-W489 HydrophobicContact CB-CE3 4.27Å; P34-W489 HydrophobicContact CB-CH2 3.69Å; P34-W489 HydrophobicContact CB-CZ2 3.87Å; P34-W489 HydrophobicContact CB-CZ3 3.89Å; P34-W489 HydrophobicContact CG-CD2 4.44Å; P34-W489 HydrophobicContact CG-CZ2 4.47Å; F57-W489 HydrophobicContact CE1-CB 4.03Å; F57-W489 HydrophobicContact CE1-CG 4.02Å; F57-W489 HydrophobicContact CZ-CB 4.26Å; D309-W489 HydrophobicContact CB-CH2 3.92Å; D309-W489 HydrophobicContact CB-CZ3 3.92Å; I310-W489 HydrophobicContact CD1-CE3 3.88Å; I310-W489 HydrophobicContact CD1-CZ3 4.32Å; I310-W489 HydrophobicContact CG1-CE3 4.07Å; I310-W489 HydrophobicContact CG1-CZ3 4.14Å; R457-W489 HydrophobicContact CG-CE3 4.48Å; A485-W489 WeakPolarHBondContact O-CB 3.49Å; A485-W489 PolarHBondContact O-N 3Å; H486-W489 WeakPolarHBondContact O-CB 3.49Å; H486-W489 PolarHBondContact O-N 2.87Å; H486-W489 VanDerWaalsContact O-N 3.14Å; H487-W489 VanDerWaalsContact C-N 3.32Å; H487-W489 PolarHBondContact O-N 3.08Å
490	H	93.9	Very high	94.8	Very high	35 Å²	35	47.9 Å²	47.9	16%	0.162	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	8.9	-178.5	-68.1	-65.6	0	0	0	114.7	Q33 H486 H487 Q492	Q33-H490 PolarHBondContact NE2-CE1 2.91Å; Q33-H490 VanDerWaalsContact NE2-CE1 3.28Å; Q33-H490 PolarHBondContact NE2-NE2 3.37Å; Q33-H490 PolarHBondContact OE1-NE2 3.21Å; H486-H490 AromaticContact CD2-CD2 3.91Å; H486-H490 AromaticContact CE1-CD2 3.34Å; H486-H490 PolarHBondContact CE1-CD2 3.26Å; H486-H490 AromaticContact CE1-NE2 3.57Å; H486-H490 AromaticContact CG-CD2 3.98Å; H486-H490 AromaticContact ND1-CD2 3.63Å; H486-H490 AromaticContact ND1-NE2 3.89Å; H486-H490 AromaticContact NE2-CD2 3.48Å; H486-H490 PolarHBondContact NE2-CD2 3.27Å; H486-H490 PolarHBondContact O-CD2 2.83Å; H486-H490 PolarHBondContact O-N 2.87Å; H487-H490 CarbonylContact O-C 3.47Å; H487-H490 PolarHBondContact O-N 3.16Å; H490-Q492 VanDerWaalsContact C-N 3.26Å; H490-Q492 HydrophobicContact CB-CG 4.1Å; H490-Q492 PolarHBondContact O-N 2.77Å
491	E	91.9	Very high	94.2	Very high	137 Å²	137	48 Å²	48	64%	0.64	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	30.5	179.5	-56.6	177.3	-175.6	0	0	114.4	L31 H487 T493	L31-E491 HydrophobicContact CD1-CG 4.34Å; H487-E491 CarbonylContact O-C 3.58Å; H487-E491 WeakPolarHBondContact O-CA 3.24Å; H487-E491 PolarHBondContact O-N 2.85Å; E491-T493 PolarHBondContact O-N 2.97Å
492	Q	92.3	Very high	93.4	Very high	72 Å²	72	49.5 Å²	49.5	34%	0.336	24%	0.242	S	C	.	.			trans	-87.5	76.6	178.9	-63.8	173.1	-7.3	0	0	111.6	H487 H490 D494	H487-Q492 HydrophobicContact CB-CB 4.2Å; H487-Q492 PolarHBondContact CD2-OE1 2.85Å; H487-Q492 VanDerWaalsContact CD2-OE1 3.31Å; H487-Q492 PolarHBondContact O-N 3.2Å; H490-Q492 VanDerWaalsContact C-N 3.26Å; H490-Q492 HydrophobicContact CB-CG 4.1Å; H490-Q492 PolarHBondContact O-N 2.77Å; Q492-D494 VanDerWaalsContact C-N 3.34Å; Q492-D494 PolarHBondContact O-N 2.92Å
493	T	90.9	Very high	92.7	Very high	108 Å²	108	55.6 Å²	55.6	66%	0.663	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-76.1	-19.7	-174.6	54.8	0	0	0	0	114.2	E491 K495 I496	E491-T493 PolarHBondContact O-N 2.97Å; T493-K495 PolarHBondContact O-N 3.37Å; T493-I496 PolarHBondContact O-N 2.54Å
494	D	93.3	Very high	91.9	Very high	99 Å²	99	61.2 Å²	61.2	53%	0.529	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-68.5	-10.4	178.9	64.6	-52.6	0	0	0	113.8	Q492 Q498	Q492-D494 VanDerWaalsContact C-N 3.34Å; Q492-D494 PolarHBondContact O-N 2.92Å; D494-Q498 WeakPolarHBondContact O-CG 3.39Å; D494-Q498 PolarHBondContact O-NE2 2.88Å
495	K	94.6	Very high	91.2	Very high	53 Å²	53	61.4 Å²	61.4	23%	0.23	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-105.8	3.2	177.5	-67.4	-62.6	-172.7	167.4	0	114.1	Y172 G173 Y174 S175 T493	Y172-K495 PolarHBondContact O-NZ 2.82Å; G173-K495 WeakPolarHBondContact O-CB 3.31Å; Y174-K495 WeakPolarHBondContact CA-O 3.31Å; Y174-K495 HydrophobicContact CD1-CD 4.01Å; Y174-K495 HydrophobicContact CE1-CD 3.8Å; S175-K495 PolarHBondContact N-O 3.2Å; S175-K495 PolarHBondContact OG-O 2.88Å; T493-K495 PolarHBondContact O-N 3.37Å
496	I	96.8	Very high	90	Very high	22 Å²	22	68.6 Å²	68.6	11%	0.113	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-111.7	134	-178.4	-54.3	176.2	0	0	0	109.6	S175 L484 H487 R488 T493 Q498	S175-I496 CarbonylContact O-C 3.23Å; S175-I496 WeakPolarHBondContact O-CA 3.12Å; L484-I496 HydrophobicContact CD2-CG1 4.42Å; L484-I496 HydrophobicContact CD2-CG2 3.91Å; H487-I496 HydrophobicContact CB-CD1 3.81Å; H487-I496 HydrophobicContact CB-CG1 3.89Å; R488-I496 HydrophobicContact CG-CD1 3.65Å; T493-I496 PolarHBondContact O-N 2.54Å; I496-Q498 PolarHBondContact O-N 2.82Å; I496-Q498 VanDerWaalsContact O-N 3.14Å; I496-Q498 PolarHBondContact O-NE2 3.29Å
497	D	96	Very high	88.1	Confident	40 Å²	40	70.2 Å²	70.2	21%	0.214	35%	0.346	C	S	.	.	S	Bend	trans	52.6	36.2	171.7	-64.2	-25.9	0	0	0	114.4	S175 F176 S177 K181	S175-D497 PolarHBondContact O-N 3.2Å; F176-D497 VanDerWaalsContact CA-OD1 3.26Å; F176-D497 WeakPolarHBondContact CA-OD1 3.45Å; S177-D497 WeakPolarHBondContact CB-OD2 3.39Å; S177-D497 PolarHBondContact N-OD1 2.89Å; S177-D497 VanDerWaalsContact OG-CG 3.28Å; S177-D497 PolarHBondContact OG-OD1 3.49Å; S177-D497 PolarHBondContact OG-OD2 3.04Å; K181-D497 HydrophobicContact CD-CB 3.93Å; K181-D497 WeakPolarHBondContact CD-OD1 3.21Å; K181-D497 WeakPolarHBondContact CD-OD2 3.4Å; K181-D497 VanDerWaalsContact NZ-CG 3.28Å; K181-D497 IonicContact NZ-OD1 3.51Å; K181-D497 IonicContact NZ-OD2 3.16Å; K181-D497 PolarHBondContact NZ-OD2 3.45Å
498	Q	93.8	Very high	86	Confident	50 Å²	50	76.7 Å²	76.7	23%	0.234	38%	0.376	C	S	.	.			trans	-74.2	134.4	178.2	-62.8	-57.3	-59.6	0	0	110.7	Y174 D494 I496 L501	Y174-Q498 HydrophobicContact CD1-CB 4.14Å; Y174-Q498 HydrophobicContact CD1-CG 3.92Å; Y174-Q498 HydrophobicContact CE1-CB 4.19Å; Y174-Q498 HydrophobicContact CE1-CG 3.85Å; D494-Q498 WeakPolarHBondContact O-CG 3.39Å; D494-Q498 PolarHBondContact O-NE2 2.88Å; I496-Q498 PolarHBondContact O-N 2.82Å; I496-Q498 VanDerWaalsContact O-N 3.14Å; I496-Q498 PolarHBondContact O-NE2 3.29Å; Q498-L501 HydrophobicContact CB-CD1 4.25Å; Q498-L501 HydrophobicContact CB-CD2 3.66Å; Q498-L501 HydrophobicContact CB-CG 4Å
499	E	87.3	Confident	83.4	Confident	132 Å²	132	80.8 Å²	80.8	62%	0.617	40%	0.404	S	S	*	.	S	Bend	trans	-92.4	162.9	176.3	-64.1	-177.8	174.7	0	0	111.3	L501	E499-L501 PolarHBondContact O-N 2.88Å
500	D	84.3	Confident	82.9	Confident	111 Å²	111	84.1 Å²	84.1	59%	0.594	42%	0.421	S	S	*	.	S	Bend	trans	54.7	25.2	177	-55.9	-41.8	0	0	0	115.5	H502 M503 R504	D500-H502 PolarHBondContact O-N 2.81Å; D500-M503 PolarHBondContact O-N 2.95Å; D500-R504 PolarHBondContact O-N 2.98Å
501	L	86.8	Confident	82.3	Confident	4 Å²	4	86.7 Å²	86.7	2%	0.021	44%	0.435	C	S	.	.	H	α-helix	trans	-54.2	-40.9	-179	-72.6	177.2	0	0	0	112.7	Y169 Y174 F176 Q498 E499 M503 R504 L505	Y169-L501 HydrophobicContact CD1-CB 4.01Å; Y169-L501 HydrophobicContact CD1-CD1 4.24Å; Y169-L501 HydrophobicContact CD2-CD1 4.29Å; Y169-L501 HydrophobicContact CE1-CB 3.61Å; Y169-L501 HydrophobicContact CG-CD1 4.11Å; Y174-L501 HydrophobicContact CD1-CD1 4.12Å; Y174-L501 HydrophobicContact CD1-CD2 3.75Å; Y174-L501 HydrophobicContact CD2-CD1 4.13Å; Y174-L501 HydrophobicContact CD2-CD2 3.92Å; Y174-L501 HydrophobicContact CE1-CD2 3.54Å; Y174-L501 HydrophobicContact CE2-CD2 3.7Å; Y174-L501 HydrophobicContact CG-CD1 3.79Å; Y174-L501 HydrophobicContact CG-CD2 3.94Å; Y174-L501 VanDerWaalsContact CZ-CD2 3.49Å; F176-L501 HydrophobicContact CE1-CD1 4.2Å; F176-L501 HydrophobicContact CZ-CD1 3.95Å; Q498-L501 HydrophobicContact CB-CD1 4.25Å; Q498-L501 HydrophobicContact CB-CD2 3.66Å; Q498-L501 HydrophobicContact CB-CG 4Å; E499-L501 PolarHBondContact O-N 2.88Å; L501-M503 VanDerWaalsContact C-N 3.29Å; L501-M503 PolarHBondContact O-N 2.99Å; L501-R504 PolarHBondContact O-N 2.93Å; L501-L505 WeakPolarHBondContact O-CB 3.22Å; L501-L505 WeakPolarHBondContact O-CG 3.2Å; L501-L505 PolarHBondContact O-N 2.82Å
502	H	82.6	Confident	81.8	Confident	32 Å²	32	83.9 Å²	83.9	15%	0.148	42%	0.424	C	S	.	.	H	α-helix	trans	-57.5	-41.8	177.9	-168.5	60.2	0	0	0	112.8	R165 Y169 D500 R506	R165-H502 WeakPolarHBondContact CD-ND1 3.04Å; R165-H502 PolarHBondContact NE-CE1 2.88Å; Y169-H502 WeakPolarHBondContact OH-CB 2.93Å; Y169-H502 PolarHBondContact OH-N 3.12Å; D500-H502 PolarHBondContact O-N 2.81Å; H502-R506 PolarHBondContact CE1-NE 3.22Å; H502-R506 VanDerWaalsContact CE1-NE 3.33Å; H502-R506 PolarHBondContact CE1-NH2 3.26Å; H502-R506 PolarHBondContact NE2-NE 3.01Å; H502-R506 VanDerWaalsContact NE2-NE 3.12Å; H502-R506 PolarHBondContact NE2-NH2 3.28Å; H502-R506 VanDerWaalsContact NE2-NH2 3.13Å; H502-R506 WeakPolarHBondContact O-CB 3.39Å; H502-R506 WeakPolarHBondContact O-CG 2.97Å; H502-R506 PolarHBondContact O-N 2.88Å
503	M	82.3	Confident	81.1	Confident	127 Å²	127	84.6 Å²	84.6	63%	0.626	43%	0.429	S	S	*	.	H	α-helix	trans	-73.8	-40.3	-179.8	-66.4	-55.5	-61.2	0	0	111.3	D500 L501 G507	D500-M503 PolarHBondContact O-N 2.95Å; L501-M503 VanDerWaalsContact C-N 3.29Å; L501-M503 PolarHBondContact O-N 2.99Å; M503-G507 PolarHBondContact O-N 2.96Å
504	R	82.8	Confident	80.5	Confident	121 Å²	121	83.1 Å²	83.1	46%	0.457	41%	0.414	S	S	.	.	H	α-helix	trans	-63.6	-49.1	177.9	-66.4	179.6	-173.6	-177.3	5.3	111.5	D500 L501 R506 G507 E508	D500-R504 PolarHBondContact O-N 2.98Å; L501-R504 PolarHBondContact O-N 2.93Å; R504-R506 VanDerWaalsContact C-N 3.33Å; R504-R506 PolarHBondContact O-N 2.79Å; R504-G507 PolarHBondContact O-N 3.05Å; R504-G507 VanDerWaalsContact O-N 3.11Å; R504-E508 PolarHBondContact O-N 2.83Å
505	L	82.7	Confident	79.7	Confident	3 Å²	3	82.1 Å²	82.1	2%	0.016	41%	0.406	C	S	.	.	H	α-helix	trans	-72.9	-23.4	-176.8	-66.2	173.6	0	0	0	113.4	Q168 Y169 Y172 Y174 L501 G507	Q168-L505 HydrophobicContact CG-CD1 4.27Å; Y169-L505 HydrophobicContact CD1-CD1 3.64Å; Y169-L505 HydrophobicContact CE1-CD1 3.9Å; Y172-L505 HydrophobicContact CD2-CD1 3.98Å; Y172-L505 HydrophobicContact CD2-CD2 3.79Å; Y172-L505 HydrophobicContact CE2-CD1 4.46Å; Y172-L505 HydrophobicContact CE2-CD2 3.96Å; Y172-L505 HydrophobicContact CG-CD2 4.15Å; Y174-L505 HydrophobicContact CE2-CD1 4.35Å; Y174-L505 HydrophobicContact CE2-CD2 4.39Å; L501-L505 WeakPolarHBondContact O-CB 3.22Å; L501-L505 WeakPolarHBondContact O-CG 3.2Å; L501-L505 PolarHBondContact O-N 2.82Å; L505-G507 VanDerWaalsContact C-N 3.34Å
506	R	73.6	Confident	78.6	Confident	152 Å²	152	84.1 Å²	84.1	57%	0.574	42%	0.419	S	S	*	.	H	α-helix	trans	-71.8	-26.2	169.1	-83.7	-172.7	179.1	-169.8	1.9	113.4	H502 R504	H502-R506 PolarHBondContact CE1-NE 3.22Å; H502-R506 VanDerWaalsContact CE1-NE 3.33Å; H502-R506 PolarHBondContact CE1-NH2 3.26Å; H502-R506 PolarHBondContact NE2-NE 3.01Å; H502-R506 VanDerWaalsContact NE2-NE 3.12Å; H502-R506 PolarHBondContact NE2-NH2 3.28Å; H502-R506 VanDerWaalsContact NE2-NH2 3.13Å; H502-R506 WeakPolarHBondContact O-CB 3.39Å; H502-R506 WeakPolarHBondContact O-CG 2.97Å; H502-R506 PolarHBondContact O-N 2.88Å; R504-R506 VanDerWaalsContact C-N 3.33Å; R504-R506 PolarHBondContact O-N 2.79Å
507	G	58.1	Low	77.2	Confident	64 Å²	64	88.9 Å²	88.9	66%	0.66	44%	0.443	S	S	*	.	H	α-helix	trans	-87.7	-10.7	179.4	0	0	0	0	0	114.5	M503 R504 L505	M503-G507 PolarHBondContact O-N 2.96Å; R504-G507 PolarHBondContact O-N 3.05Å; R504-G507 VanDerWaalsContact O-N 3.11Å; L505-G507 VanDerWaalsContact C-N 3.34Å
508	E	53.3	Low	75.6	Confident	142 Å²	142	93 Å²	93	66%	0.664	46%	0.462	S	S	*	.			trans	-92.9	-3.5	175.3	-69.3	-178.6	173.7	0	0	113.2	R504	R504-E508 PolarHBondContact O-N 2.83Å
509	L	40.1	Very low	74	Confident	178 Å²	178	96.9 Å²	96.9	93%	0.932	48%	0.482	S	S	*	.			trans	-102	0	169.6	-69.4	167.4	0	0	0	109.7

Retrieved 509 of 509 residues in 100.9 ms (Link to these results)

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