A0A096NPE9_PAPAN 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 (A0A2K6DJE4), UniProt , Accession A0A096NPE9, Species PAPAN (Papio anubis, Olive baboon), Gene PCYOX1, Length 505 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	44.8	Very low	37.1	Very low	238 Å²	238	117.5 Å²	117.5	100%	1.172	68%	0.682	S	S	*	*				0	28.4	0	-87.9	170.7	71.1	0	0	113.8
2	G	40.5	Very low	37.1	Very low	70 Å²	70	116.9 Å²	116.9	72%	0.722	67%	0.673	S	S	*	*			trans	-117.4	-6.8	-175.8	0	0	0	0	0	116.7
3	R	34.3	Very low	37.2	Very low	228 Å²	228	116.2 Å²	116.2	86%	0.86	67%	0.665	S	S	*	*	S	Bend	trans	-104.7	-26.9	-176.7	-104.5	179.7	172.5	178	-3.4	114.7	V5	R3-V5 VanDerWaalsContact C-N 3.35Å; R3-V5 PolarHBondContact O-N 3.49Å
4	A	33.6	Very low	37	Very low	83 Å²	83	110.1 Å²	110.1	69%	0.686	64%	0.641	S	S	*	*	H	α-helix	trans	-77.7	-16.8	179.7	0	0	0	0	0	114.1
5	V	37.5	Very low	36.9	Very low	101 Å²	101	110.2 Å²	110.2	61%	0.612	64%	0.637	S	S	*	*	H	α-helix	trans	-85.3	-25.6	179.3	-178.5	0	0	0	0	111.6	R3 V9	R3-V5 VanDerWaalsContact C-N 3.35Å; R3-V5 PolarHBondContact O-N 3.49Å; V5-V9 VanDerWaalsContact O-CG2 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.29Å; V5-V9 PolarHBondContact O-N 3.48Å
6	A	33.9	Very low	36.7	Very low	65 Å²	65	115.5 Å²	115.5	54%	0.537	64%	0.643	S	S	.	*	H	α-helix	trans	-75.9	-34.9	-179.4	0	0	0	0	0	113	S10	A6-S10 PolarHBondContact O-N 3.48Å
7	E	33.8	Very low	36.5	Very low	157 Å²	157	116.3 Å²	116.3	73%	0.734	65%	0.645	S	S	*	*	H	α-helix	trans	-75.3	-31.5	179.1	-73.6	-176.7	167.8	0	0	112.7	S10 S11	E7-S10 PolarHBondContact O-N 3.2Å; E7-S11 PolarHBondContact O-N 3.29Å
8	L	35.1	Very low	36.3	Very low	114 Å²	114	117.7 Å²	117.7	60%	0.597	65%	0.65	S	S	*	*	H	α-helix	trans	-70.7	-34.2	177	-145.9	89	0	0	0	112.4	S11 L12	L8-S11 PolarHBondContact O-OG 3.29Å; L8-L12 WeakPolarHBondContact O-CD1 3.34Å; L8-L12 PolarHBondContact O-N 3.25Å
9	V	38.8	Very low	36.1	Very low	78 Å²	78	118.2 Å²	118.2	47%	0.473	65%	0.651	S	S	.	*	H	α-helix	trans	-74.6	-33.6	178	176.7	0	0	0	0	111	V5 L13	V5-V9 VanDerWaalsContact O-CG2 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.29Å; V5-V9 PolarHBondContact O-N 3.48Å; V9-L13 HydrophobicContact CG1-CD1 3.98Å; V9-L13 WeakPolarHBondContact O-CD1 3.45Å; V9-L13 PolarHBondContact O-N 3.13Å; V9-L13 VanDerWaalsContact O-N 3.14Å
10	S	37.9	Very low	36	Very low	88 Å²	88	116.8 Å²	116.8	62%	0.615	65%	0.649	S	S	*	*	H	α-helix	trans	-73	-32.1	177.2	-163.2	0	0	0	0	113.2	A6 E7 G14	A6-S10 PolarHBondContact O-N 3.48Å; E7-S10 PolarHBondContact O-N 3.2Å; S10-G14 PolarHBondContact O-N 3.25Å
11	S	38.3	Very low	35.9	Very low	71 Å²	71	116 Å²	116	50%	0.497	65%	0.651	S	S	.	*	H	α-helix	trans	-76.6	-30.1	176.1	72	0	0	0	0	112.8	E7 L8 L15	E7-S11 PolarHBondContact O-N 3.29Å; L8-S11 PolarHBondContact O-OG 3.29Å; S11-L15 PolarHBondContact O-N 3.14Å
12	L	37.1	Very low	35.4	Very low	110 Å²	110	110.4 Å²	110.4	58%	0.576	63%	0.634	S	S	*	*	H	α-helix	trans	-73	-35.4	174.3	-83.4	159.8	0	0	0	112.4	L8 W16	L8-L12 WeakPolarHBondContact O-CD1 3.34Å; L8-L12 PolarHBondContact O-N 3.25Å; L12-W16 PolarHBondContact O-N 3.29Å; L12-W16 VanDerWaalsContact O-N 3.13Å
13	L	38.1	Very low	35.1	Very low	107 Å²	107	110.3 Å²	110.3	56%	0.56	63%	0.634	S	S	*	*	H	α-helix	trans	-67.2	-36.6	172.2	-101.7	95.3	0	0	0	112.6	V9 W16 L17	V9-L13 HydrophobicContact CG1-CD1 3.98Å; V9-L13 WeakPolarHBondContact O-CD1 3.45Å; V9-L13 PolarHBondContact O-N 3.13Å; V9-L13 VanDerWaalsContact O-N 3.14Å; L13-W16 PolarHBondContact O-N 3.3Å; L13-L17 PolarHBondContact O-N 3.45Å; L13-L17 VanDerWaalsContact O-N 3.09Å
14	G	34.8	Very low	34.8	Very low	32 Å²	32	105.2 Å²	105.2	33%	0.33	63%	0.632	S	S	.	*	H	α-helix	trans	-66.1	-37.1	176.5	0	0	0	0	0	113.3	S10 L18	S10-G14 PolarHBondContact O-N 3.25Å; G14-L18 PolarHBondContact O-N 3.41Å
15	L	34.8	Very low	34.9	Very low	111 Å²	111	106.9 Å²	106.9	58%	0.581	64%	0.635	S	S	*	*	H	α-helix	trans	-73.6	-32.3	175.4	-116.7	86.7	0	0	0	112.8	S11 L18 L19	S11-L15 PolarHBondContact O-N 3.14Å; L15-L18 PolarHBondContact O-N 3.03Å; L15-L19 HydrophobicContact CD2-CD1 4.5Å; L15-L19 WeakPolarHBondContact O-CB 3.49Å; L15-L19 WeakPolarHBondContact O-CD1 3.41Å; L15-L19 WeakPolarHBondContact O-CG 3.43Å; L15-L19 PolarHBondContact O-N 3.44Å
16	W	33.5	Very low	34.9	Very low	195 Å²	195	111.3 Å²	111.3	74%	0.739	65%	0.65	S	S	*	*	H	α-helix	trans	-68.4	-38.5	174.9	-119.9	62.8	0	0	0	112.1	L12 L13 L18 L19 C20	L12-W16 PolarHBondContact O-N 3.29Å; L12-W16 VanDerWaalsContact O-N 3.13Å; L13-W16 PolarHBondContact O-N 3.3Å; W16-L18 VanDerWaalsContact C-N 3.32Å; W16-L18 PolarHBondContact O-N 3.45Å; W16-L19 PolarHBondContact O-N 3.34Å; W16-C20 PolarHBondContact O-N 3.09Å; W16-C20 PolarHBondContact O-SG 3.18Å; W16-C20 VanDerWaalsContact O-SG 3.34Å
17	L	34.5	Very low	35.3	Very low	129 Å²	129	111.5 Å²	111.5	68%	0.675	66%	0.658	S	S	*	*	H	α-helix	trans	-70.1	-26.1	176.1	-78.4	158.1	0	0	0	113.4	L13	L13-L17 PolarHBondContact O-N 3.45Å; L13-L17 VanDerWaalsContact O-N 3.09Å
18	L	32.8	Very low	36.2	Very low	141 Å²	141	106.9 Å²	106.9	74%	0.738	65%	0.646	S	S	*	*	H	α-helix	trans	-87.8	-22.2	175.8	-92.5	142.4	0	0	0	113.8	G14 L15 W16	G14-L18 PolarHBondContact O-N 3.41Å; L15-L18 PolarHBondContact O-N 3.03Å; W16-L18 VanDerWaalsContact C-N 3.32Å; W16-L18 PolarHBondContact O-N 3.45Å
19	L	32.4	Very low	37.5	Very low	127 Å²	127	110.2 Å²	110.2	67%	0.665	66%	0.659	S	S	*	*	H	α-helix	trans	-88.5	-12.7	174.4	-75.5	162.1	0	0	0	113.5	L15 W16 S21	L15-L19 HydrophobicContact CD2-CD1 4.5Å; L15-L19 WeakPolarHBondContact O-CB 3.49Å; L15-L19 WeakPolarHBondContact O-CD1 3.41Å; L15-L19 WeakPolarHBondContact O-CG 3.43Å; L15-L19 PolarHBondContact O-N 3.44Å; W16-L19 PolarHBondContact O-N 3.34Å; L19-S21 VanDerWaalsContact C-N 3.29Å; L19-S21 PolarHBondContact O-N 3.5Å
20	C	33	Very low	39.2	Very low	90 Å²	90	111.6 Å²	111.6	61%	0.608	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	7.6	170.3	-72.1	0	0	0	0	114.2	W16	W16-C20 PolarHBondContact O-N 3.09Å; W16-C20 PolarHBondContact O-SG 3.18Å; W16-C20 VanDerWaalsContact O-SG 3.34Å
21	S	34.4	Very low	41.3	Very low	100 Å²	100	114 Å²	114	70%	0.699	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	9.6	177	-56.8	0	0	0	0	114.3	L19	L19-S21 VanDerWaalsContact C-N 3.29Å; L19-S21 PolarHBondContact O-N 3.5Å
22	C	35	Very low	43.6	Very low	121 Å²	121	114.4 Å²	114.4	82%	0.818	67%	0.666	S	S	*	*	S	Bend	trans	-103.4	101.3	171.7	-96.1	0	0	0	0	110.9
23	G	33.3	Very low	46.1	Very low	69 Å²	69	112 Å²	112	71%	0.711	66%	0.657	S	S	*	*			trans	90.4	50	153	0	0	0	0	0	116.8
24	C	29.2	Very low	48.8	Very low	120 Å²	120	107 Å²	107	81%	0.811	63%	0.631	S	S	*	*			trans	-67.6	123.6	141.6	-67.2	0	0	0	0	106	E26	C24-E26 PolarHBondContact O-N 2.81Å
25	P	35.5	Very low	51.6	Low	118 Å²	118	110.6 Å²	110.6	77%	0.766	64%	0.642	S	S	*	*			trans	-54.5	131.6	162.5	-4.8	17.6	0	0	0	105.7	G27	P25-G27 PolarHBondContact O-N 3.24Å
26	E	36.3	Very low	54.6	Low	195 Å²	195	106.1 Å²	106.1	91%	0.911	62%	0.619	S	S	*	*			trans	-47.1	106.9	169.9	-79.5	173.7	136.4	0	0	107.5	C24 A28	C24-E26 PolarHBondContact O-N 2.81Å; E26-A28 PolarHBondContact O-N 2.98Å
27	G	43	Very low	57.7	Low	69 Å²	69	96.9 Å²	96.9	71%	0.711	58%	0.583	S	S	*	*			trans	-61.3	111.4	174.3	0	0	0	0	0	105.9	P25 E29	P25-G27 PolarHBondContact O-N 3.24Å; G27-E29 PolarHBondContact O-N 3.08Å; G27-E29 VanDerWaalsContact O-N 3.08Å
28	A	52.2	Low	60.7	Low	59 Å²	59	90.7 Å²	90.7	49%	0.488	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-49.4	121.8	175.3	0	0	0	0	0	107.9	E26 L30	E26-A28 PolarHBondContact O-N 2.98Å; A28-L30 PolarHBondContact O-N 3.3Å; A28-L30 VanDerWaalsContact O-N 3.11Å
29	E	61.9	Low	63.9	Low	184 Å²	184	84 Å²	84	86%	0.86	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-54.3	123.4	177.2	-79.7	-173.7	152	0	0	108.7	G27 R31	G27-E29 PolarHBondContact O-N 3.08Å; G27-E29 VanDerWaalsContact O-N 3.08Å; E29-R31 PolarHBondContact O-N 3.11Å
30	L	74.6	Confident	67	Low	108 Å²	108	78.3 Å²	78.3	57%	0.565	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-57.4	130.8	179	-72.6	171.8	0	0	0	109.2	A28 Y482 N486	A28-L30 PolarHBondContact O-N 3.3Å; A28-L30 VanDerWaalsContact O-N 3.11Å; L30-Y482 WeakPolarHBondContact CD2-OH 3.36Å; L30-N486 HydrophobicContact CD2-CB 4.2Å
31	R	82.8	Confident	70.1	Confident	139 Å²	139	74.5 Å²	74.5	53%	0.525	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-66.1	153.6	174.5	-64.7	-162.8	-176.1	147.8	-9.4	109.2	E29 W485 N486	E29-R31 PolarHBondContact O-N 3.11Å; R31-W485 VanDerWaalsContact CD-O 3.23Å; R31-W485 WeakPolarHBondContact CD-O 3.3Å; R31-W485 PolarHBondContact NH1-O 3.46Å; R31-N486 PolarHBondContact N-OD1 3.05Å
32	A	87	Confident	73.2	Confident	79 Å²	79	69.8 Å²	69.8	65%	0.653	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-51.6	136.9	167.5	0	0	0	0	0	109.3	W485	A32-W485 PolarHBondContact O-NE1 3.29Å
33	P	89.7	Confident	76.2	Confident	58 Å²	58	64.7 Å²	64.7	38%	0.377	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-60.6	156.4	-178.5	25.9	-34.2	0	0	0	110.9	F57	P33-F57 HydrophobicContact CB-CD1 4.37Å
34	P	93.9	Very high	79.3	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.013	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-59.4	143.1	171.2	27.2	-33.6	0	0	0	109.9	I37 F57 V61 D309 I310 W485	P34-I37 HydrophobicContact CB-CG1 4.35Å; P34-I37 HydrophobicContact CG-CD1 3.86Å; P34-I37 HydrophobicContact CG-CG1 4.05Å; P34-F57 VanDerWaalsContact CD-CE1 3.43Å; P34-F57 HydrophobicContact CG-CD1 3.87Å; P34-F57 HydrophobicContact CG-CD2 4.38Å; P34-F57 HydrophobicContact CG-CE1 3.93Å; P34-F57 HydrophobicContact CG-CE2 4.45Å; P34-F57 HydrophobicContact CG-CG 4.07Å; P34-F57 HydrophobicContact CG-CZ 4.2Å; P34-V61 HydrophobicContact CG-CG2 4.18Å; P34-V61 WeakPolarHBondContact O-CG2 3.49Å; P34-D309 HydrophobicContact CB-CB 3.77Å; P34-I310 HydrophobicContact CB-CD1 4.14Å; P34-I310 HydrophobicContact CB-CG1 4.32Å; P34-I310 HydrophobicContact CG-CD1 3.92Å; P34-W485 HydrophobicContact CB-CE3 4.45Å; P34-W485 HydrophobicContact CB-CH2 3.76Å; P34-W485 HydrophobicContact CB-CZ2 3.87Å; P34-W485 HydrophobicContact CB-CZ3 4.06Å
35	D	94	Very high	82.6	Confident	108 Å²	108	56.6 Å²	56.6	58%	0.578	33%	0.331	S	S	*	.	S	Bend	trans	-71.3	-42.5	177.8	-68.2	-28.2	0	0	0	109.2	K62 D309	D35-K62 PolarHBondContact O-N 3.06Å; D35-D309 WeakPolarHBondContact CB-OD2 2.99Å; D35-D309 PolarHBondContact N-OD2 3.21Å
36	K	97.1	Very high	85.6	Confident	18 Å²	18	51 Å²	51	8%	0.078	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	133	-172	-149	-175	-170.4	-147.7	0	114.4	K62 D64 D306 F307 Y308 D309	K36-K62 CarbonylContact C-O 3.45Å; K36-K62 WeakPolarHBondContact CA-O 3.48Å; K36-K62 HydrophobicContact CD-CD 4.43Å; K36-K62 HydrophobicContact CG-CB 4.11Å; K36-K62 HydrophobicContact CG-CD 4.28Å; K36-K62 HydrophobicContact CG-CG 4.16Å; K36-D64 WeakPolarHBondContact CE-OD2 3.18Å; K36-D64 IonicContact NZ-OD2 3.57Å; K36-D64 PolarHBondContact NZ-OD2 3.14Å; K36-D306 IonicContact NZ-OD1 3.12Å; K36-D306 IonicContact NZ-OD2 2.86Å; K36-D306 PolarHBondContact NZ-OD2 3.4Å; K36-F307 WeakPolarHBondContact CD-O 3.47Å; K36-Y308 HydrophobicContact CB-CD1 4.13Å; K36-Y308 HydrophobicContact CD-CD1 3.65Å; K36-Y308 HydrophobicContact CD-CE1 3.47Å; K36-Y308 VanDerWaalsContact CD-CE1 3.47Å; K36-Y308 VanDerWaalsContact CE-CE1 3.46Å; K36-Y308 HydrophobicContact CG-CD1 3.64Å; K36-Y308 HydrophobicContact CG-CE1 3.74Å; K36-Y308 VanDerWaalsContact NZ-CE1 3.29Å; K36-Y308 VanDerWaalsContact NZ-CZ 3.26Å; K36-Y308 PolarHBondContact NZ-OH 3.34Å; K36-D309 PolarHBondContact N-OD2 2.8Å; K36-D309 PolarHBondContact O-N 3.43Å
37	I	98.7	Very high	88.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.5	176.6	-53	-179	0	0	0	110.2	P34 I39 L53 F57 V61 K62 I63 D64 Y308 I310 L312	P34-I37 HydrophobicContact CB-CG1 4.35Å; P34-I37 HydrophobicContact CG-CD1 3.86Å; P34-I37 HydrophobicContact CG-CG1 4.05Å; I37-I39 HydrophobicContact CG2-CG1 4.37Å; I37-L53 HydrophobicContact CD1-CD1 4.35Å; I37-L53 HydrophobicContact CD1-CD2 4.14Å; I37-L53 HydrophobicContact CG2-CD1 3.99Å; I37-F57 HydrophobicContact CD1-CD2 3.95Å; I37-F57 HydrophobicContact CD1-CE2 4.15Å; I37-V61 HydrophobicContact CD1-CG2 3.78Å; I37-V61 HydrophobicContact CG1-CG2 3.74Å; I37-K62 PolarHBondContact N-O 2.99Å; I37-I63 WeakPolarHBondContact O-CA 3.36Å; I37-D64 PolarHBondContact O-N 3.36Å; I37-Y308 VanDerWaalsContact C-CD1 3.47Å; I37-I310 WeakPolarHBondContact CA-O 3.5Å; I37-I310 HydrophobicContact CD1-CD1 4.26Å; I37-I310 HydrophobicContact CG1-CB 4.12Å; I37-I310 HydrophobicContact CG1-CD1 4.47Å; I37-I310 HydrophobicContact CG2-CB 4.1Å; I37-I310 HydrophobicContact CG2-CG2 4.31Å; I37-L312 HydrophobicContact CG2-CD1 4.03Å
38	A	98.8	Very high	91.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.3	169.6	0	0	0	0	0	110.6	D64 F66 V295 Y308 I310 V311 L312	A38-D64 CarbonylContact C-O 3.34Å; A38-D64 WeakPolarHBondContact CA-O 3.45Å; A38-F66 HydrophobicContact CB-CD2 4.41Å; A38-F66 HydrophobicContact CB-CE2 3.86Å; A38-V295 HydrophobicContact CB-CG2 4.35Å; A38-Y308 HydrophobicContact CB-CD1 3.5Å; A38-Y308 VanDerWaalsContact CB-CD1 3.5Å; A38-Y308 HydrophobicContact CB-CD2 3.86Å; A38-Y308 HydrophobicContact CB-CE1 3.72Å; A38-Y308 HydrophobicContact CB-CE2 4.09Å; A38-Y308 HydrophobicContact CB-CG 3.56Å; A38-Y308 VanDerWaalsContact N-CD1 3.29Å; A38-I310 PolarHBondContact N-O 2.74Å; A38-V311 HydrophobicContact CB-CG1 4.34Å; A38-V311 HydrophobicContact CB-CG2 4.23Å; A38-V311 CarbonylContact O-C 3.54Å; A38-V311 WeakPolarHBondContact O-CA 3.1Å; A38-L312 PolarHBondContact O-N 3.32Å
39	I	98.9	Very high	93.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.4	170.3	-54.1	171.6	0	0	0	108.1	I37 A49 A50 L53 I63 D64 L65 F66 L312 A314	I37-I39 HydrophobicContact CG2-CG1 4.37Å; I39-A49 HydrophobicContact CD1-CB 4.33Å; I39-A50 VanDerWaalsContact CD1-CA 3.46Å; I39-A50 HydrophobicContact CD1-CB 3.62Å; I39-L53 HydrophobicContact CD1-CD1 3.82Å; I39-L53 HydrophobicContact CG1-CD1 4.28Å; I39-I63 HydrophobicContact CD1-CG2 3.64Å; I39-I63 HydrophobicContact CG1-CG2 4.23Å; I39-D64 PolarHBondContact N-O 3.18Å; I39-L65 HydrophobicContact CB-CD1 3.49Å; I39-L65 VanDerWaalsContact CB-CD1 3.49Å; I39-L65 HydrophobicContact CD1-CD1 4.47Å; I39-L65 HydrophobicContact CG2-CD1 3.39Å; I39-L65 CarbonylContact O-C 3.59Å; I39-L65 WeakPolarHBondContact O-CA 3.37Å; I39-F66 PolarHBondContact O-N 3.33Å; I39-L312 CarbonylContact C-O 3.54Å; I39-L312 VanDerWaalsContact CA-O 3.31Å; I39-L312 WeakPolarHBondContact CA-O 3.4Å; I39-L312 HydrophobicContact CG1-CB 4.29Å; I39-L312 HydrophobicContact CG2-CB 4.39Å; I39-A314 HydrophobicContact CG2-CB 4.27Å
40	I	98.6	Very high	95.2	Very high	8 Å²	8	26.9 Å²	26.9	4%	0.041	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	108.1	-172.9	-51	174.6	0	0	0	109.9	F66 V274 I277 V311 L312 V313 A314 T315 I324	I40-F66 HydrophobicContact CG1-CD2 4.38Å; I40-V274 HydrophobicContact CD1-CB 4.21Å; I40-V274 HydrophobicContact CD1-CG1 3.94Å; I40-V274 HydrophobicContact CD1-CG2 3.96Å; I40-V274 HydrophobicContact CG1-CG2 3.99Å; I40-V274 HydrophobicContact CG2-CB 4.09Å; I40-V274 HydrophobicContact CG2-CG2 3.84Å; I40-I277 HydrophobicContact CD1-CD1 3.57Å; I40-I277 HydrophobicContact CD1-CG1 4.38Å; I40-V311 HydrophobicContact CD1-CG1 4.01Å; I40-L312 PolarHBondContact N-O 3.29Å; I40-V313 HydrophobicContact CD1-CG2 4.35Å; I40-A314 CarbonylContact O-C 3.46Å; I40-A314 VanDerWaalsContact O-C 3.32Å; I40-A314 VanDerWaalsContact O-CA 3.28Å; I40-A314 WeakPolarHBondContact O-CA 3.37Å; I40-A314 WeakPolarHBondContact O-CB 3.44Å; I40-A314 PolarHBondContact O-N 2.61Å; I40-T315 HydrophobicContact CG2-CG2 3.99Å; I40-T315 PolarHBondContact O-N 2.95Å; I40-I324 HydrophobicContact CD1-CD1 4.44Å; I40-I324 HydrophobicContact CG2-CD1 3.86Å
41	G	98.3	Very high	96.4	Very high	10 Å²	10	23 Å²	23	10%	0.103	13%	0.131	C	C	.	.			trans	107.2	121.9	-175.4	0	0	0	0	0	111.8	G46 F66	G41-G46 WeakPolarHBondContact O-CA 3.46Å; G41-F66 VanDerWaalsContact CA-O 3.31Å; G41-F66 WeakPolarHBondContact CA-O 3.35Å; G41-F66 PolarHBondContact N-O 3.4Å
42	A	98.2	Very high	97.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.106	C	C	.	.			trans	-101	31.7	179.6	0	0	0	0	0	113.4	T47 L65 E67 V71 G72 L269	A42-T47 HydrophobicContact CB-CG2 4.37Å; A42-L65 HydrophobicContact CB-CD1 4.49Å; A42-L65 HydrophobicContact CB-CD2 3.52Å; A42-L65 HydrophobicContact CB-CG 3.89Å; A42-E67 WeakPolarHBondContact CA-OE2 3.23Å; A42-E67 HydrophobicContact CB-CB 3.66Å; A42-E67 HydrophobicContact CB-CG 3.88Å; A42-E67 WeakPolarHBondContact CB-OE2 3.5Å; A42-E67 PolarHBondContact N-OE2 2.61Å; A42-V71 HydrophobicContact CB-CB 4.41Å; A42-V71 HydrophobicContact CB-CG1 4.32Å; A42-V71 HydrophobicContact CB-CG2 4.01Å; A42-G72 PolarHBondContact O-N 3.04Å; A42-L269 HydrophobicContact CB-CD1 4.28Å
43	G	98.1	Very high	97.7	Very high	15 Å²	15	12.6 Å²	12.6	16%	0.155	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-71.9	-174.1	164.1	0	0	0	0	0	112.4	G45 G46 T47	G43-G45 VanDerWaalsContact C-N 3.27Å; G43-G45 PolarHBondContact O-N 3.13Å; G43-G46 PolarHBondContact O-N 2.88Å; G43-T47 PolarHBondContact O-N 3.03Å; G43-T47 PolarHBondContact O-OG1 2.64Å
44	I	98.5	Very high	98.1	Very high	14 Å²	14	11.7 Å²	11.7	7%	0.072	6%	0.064	C	C	.	.	H	α-helix	trans	-58.1	-37.9	-179.9	-173.8	60	0	0	0	112.6	T47 S48 L75 M99 F102 V257 C258 L261	I44-T47 PolarHBondContact O-OG1 2.81Å; I44-S48 WeakPolarHBondContact O-CB 3.39Å; I44-S48 PolarHBondContact O-N 2.78Å; I44-S48 PolarHBondContact O-OG 2.79Å; I44-L75 HydrophobicContact CB-CD1 3.97Å; I44-L75 HydrophobicContact CG1-CD1 4.49Å; I44-L75 HydrophobicContact CG2-CD1 4.42Å; I44-M99 HydrophobicContact CD1-CE 4.48Å; I44-M99 HydrophobicContact CD1-SD 3.86Å; I44-M99 HydrophobicContact CG1-SD 4.06Å; I44-F102 HydrophobicContact CD1-CD2 4.47Å; I44-F102 HydrophobicContact CD1-CE2 4.47Å; I44-V257 HydrophobicContact CD1-CB 4.45Å; I44-V257 HydrophobicContact CD1-CG1 3.82Å; I44-C258 VanDerWaalsContact CA-SG 3.53Å; I44-C258 PolarHBondContact N-SG 3.29Å; I44-C258 VanDerWaalsContact N-SG 3.44Å; I44-L261 HydrophobicContact CD1-CD1 4.03Å
45	G	98.5	Very high	98.2	Very high	5 Å²	5	15.8 Å²	15.8	5%	0.052	8%	0.083	C	C	.	.	H	α-helix	trans	-63.3	-50	176.4	0	0	0	0	0	113	G43 S48 A49 A474	G43-G45 VanDerWaalsContact C-N 3.27Å; G43-G45 PolarHBondContact O-N 3.13Å; G45-S48 PolarHBondContact O-N 3.29Å; G45-A49 WeakPolarHBondContact O-CB 3.38Å; G45-A49 PolarHBondContact O-N 2.98Å; G45-A474 WeakPolarHBondContact O-CB 3.38Å
46	G	98.7	Very high	98.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-71	-39.4	-177.6	0	0	0	0	0	113.7	G41 G43 A49 A50 A314	G41-G46 WeakPolarHBondContact O-CA 3.46Å; G43-G46 PolarHBondContact O-N 2.88Å; G46-A49 PolarHBondContact O-N 3.08Å; G46-A50 PolarHBondContact O-N 2.98Å; G46-A314 VanDerWaalsContact CA-CB 3.49Å
47	T	98.8	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-68.8	-36.9	175.6	54	0	0	0	0	112	A42 G43 I44 A50 Y51 L65 V71 C258 L262	A42-T47 HydrophobicContact CB-CG2 4.37Å; G43-T47 PolarHBondContact O-N 3.03Å; G43-T47 PolarHBondContact O-OG1 2.64Å; I44-T47 PolarHBondContact O-OG1 2.81Å; T47-A50 WeakPolarHBondContact O-CB 3.4Å; T47-A50 PolarHBondContact O-N 2.73Å; T47-Y51 PolarHBondContact O-N 3.44Å; T47-L65 HydrophobicContact CG2-CD2 3.81Å; T47-V71 HydrophobicContact CG2-CG1 4.36Å; T47-C258 HydrophobicContact CG2-CB 4.12Å; T47-C258 WeakPolarHBondContact CG2-O 3.3Å; T47-L262 HydrophobicContact CG2-CB 4.26Å
48	S	98.9	Very high	98.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.3	-40.9	169.9	-61	0	0	0	0	111.9	I44 G45 A50 Y51 Y52 F102	I44-S48 WeakPolarHBondContact O-CB 3.39Å; I44-S48 PolarHBondContact O-N 2.78Å; I44-S48 PolarHBondContact O-OG 2.79Å; G45-S48 PolarHBondContact O-N 3.29Å; S48-A50 VanDerWaalsContact C-N 3.34Å; S48-A50 PolarHBondContact O-N 3.05Å; S48-Y51 WeakPolarHBondContact O-CB 3.4Å; S48-Y51 PolarHBondContact O-N 2.92Å; S48-Y52 WeakPolarHBondContact O-CD2 3.34Å; S48-Y52 PolarHBondContact O-N 3.19Å; S48-F102 VanDerWaalsContact OG-CE2 3.29Å; S48-F102 WeakPolarHBondContact OG-CE2 3.43Å
49	A	98.9	Very high	98.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.3	-42.9	178.8	0	0	0	0	0	110.6	I39 G45 G46 Y51 Y52 L53 L312 L457 A474	I39-A49 HydrophobicContact CD1-CB 4.33Å; G45-A49 WeakPolarHBondContact O-CB 3.38Å; G45-A49 PolarHBondContact O-N 2.98Å; G46-A49 PolarHBondContact O-N 3.08Å; A49-Y51 VanDerWaalsContact C-N 3.31Å; A49-Y51 PolarHBondContact O-N 3.25Å; A49-Y52 PolarHBondContact O-N 2.88Å; A49-L53 VanDerWaalsContact O-CB 3.25Å; A49-L53 WeakPolarHBondContact O-CB 3.43Å; A49-L53 WeakPolarHBondContact O-CD1 3.49Å; A49-L53 WeakPolarHBondContact O-CG 3.37Å; A49-L53 PolarHBondContact O-N 3.4Å; A49-L312 HydrophobicContact CB-CD2 3.83Å; A49-L457 HydrophobicContact CB-CD2 3.85Å; A49-A474 HydrophobicContact CB-CB 3.95Å
50	A	98.8	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.4	-45.8	174.8	0	0	0	0	0	111.8	I39 G46 T47 S48 R54 I63	I39-A50 VanDerWaalsContact CD1-CA 3.46Å; I39-A50 HydrophobicContact CD1-CB 3.62Å; G46-A50 PolarHBondContact O-N 2.98Å; T47-A50 WeakPolarHBondContact O-CB 3.4Å; T47-A50 PolarHBondContact O-N 2.73Å; S48-A50 VanDerWaalsContact C-N 3.34Å; S48-A50 PolarHBondContact O-N 3.05Å; A50-R54 WeakPolarHBondContact O-CB 3.32Å; A50-R54 PolarHBondContact O-N 2.82Å; A50-I63 HydrophobicContact CB-CG2 4.29Å
51	Y	98.8	Very high	97.7	Very high	26 Å²	26	28.8 Å²	28.8	10%	0.102	15%	0.149	C	C	.	.	H	α-helix	trans	-61	-48	177.4	179	-96	0	0	0	112.3	T47 S48 A49 R54 Q55 F102 D105 L261 A264	T47-Y51 PolarHBondContact O-N 3.44Å; S48-Y51 WeakPolarHBondContact O-CB 3.4Å; S48-Y51 PolarHBondContact O-N 2.92Å; A49-Y51 VanDerWaalsContact C-N 3.31Å; A49-Y51 PolarHBondContact O-N 3.25Å; Y51-R54 WeakPolarHBondContact O-CB 3.45Å; Y51-R54 PolarHBondContact O-N 3.13Å; Y51-Q55 WeakPolarHBondContact O-CG 3.43Å; Y51-Q55 PolarHBondContact O-N 2.85Å; Y51-Q55 PolarHBondContact OH-NE2 3.11Å; Y51-F102 HydrophobicContact CD1-CE1 4.07Å; Y51-F102 HydrophobicContact CE1-CD1 4.45Å; Y51-F102 HydrophobicContact CE1-CE1 4.18Å; Y51-D105 PolarHBondContact OH-OD2 2.9Å; Y51-D105 VanDerWaalsContact OH-OD2 3.09Å; Y51-L261 HydrophobicContact CD1-CD2 4.19Å; Y51-L261 HydrophobicContact CD2-CD2 3.7Å; Y51-L261 HydrophobicContact CE2-CD2 4.22Å; Y51-L261 HydrophobicContact CG-CD2 3.68Å; Y51-A264 HydrophobicContact CD2-CB 4.02Å; Y51-A264 HydrophobicContact CE2-CB 4.13Å
52	Y	98.8	Very high	97.7	Very high	1 Å²	1	33 Å²	33	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-71	-39.1	179.6	-70.9	-53	0	0	0	113.7	S48 A49 R54 Q55 K56 H98 F102 H475	S48-Y52 WeakPolarHBondContact O-CD2 3.34Å; S48-Y52 PolarHBondContact O-N 3.19Å; A49-Y52 PolarHBondContact O-N 2.88Å; Y52-R54 VanDerWaalsContact C-N 3.29Å; Y52-R54 PolarHBondContact O-N 2.95Å; Y52-Q55 WeakPolarHBondContact O-CB 3.44Å; Y52-Q55 PolarHBondContact O-N 3.04Å; Y52-Q55 VanDerWaalsContact O-N 3.13Å; Y52-K56 WeakPolarHBondContact O-CG 3.39Å; Y52-K56 PolarHBondContact O-N 3.16Å; Y52-H98 AromaticContact CZ-ND1 3.78Å; Y52-H98 PolarHBondContact OH-CE1 3.37Å; Y52-H98 PolarHBondContact OH-ND1 3.13Å; Y52-F102 HydrophobicContact CE1-CE1 4.47Å; Y52-F102 HydrophobicContact CE2-CE1 4.04Å; Y52-F102 AromaticContact CE2-CZ 3.75Å; Y52-F102 HydrophobicContact CE2-CZ 3.75Å; Y52-F102 AromaticContact CZ-CE1 3.67Å; Y52-F102 AromaticContact CZ-CZ 3.81Å; Y52-F102 WeakPolarHBondContact OH-CE1 3.31Å; Y52-F102 WeakPolarHBondContact OH-CZ 3Å; Y52-H475 AromaticContact CD1-CD2 3.85Å; Y52-H475 HydrophobicContact CD2-CB 3.62Å; Y52-H475 AromaticContact CD2-CG 3.93Å; Y52-H475 HydrophobicContact CE2-CB 3.56Å; Y52-H475 AromaticContact CE2-CG 3.88Å; Y52-H475 HydrophobicContact CG-CB 4.25Å; Y52-H475 AromaticContact CG-CD2 3.81Å
53	L	98.7	Very high	97.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-39.9	174.2	-73.9	167.3	0	0	0	111.2	I37 I39 A49 Q55 K56 F57 I63 L312 A478 A481	I37-L53 HydrophobicContact CD1-CD1 4.35Å; I37-L53 HydrophobicContact CD1-CD2 4.14Å; I37-L53 HydrophobicContact CG2-CD1 3.99Å; I39-L53 HydrophobicContact CD1-CD1 3.82Å; I39-L53 HydrophobicContact CG1-CD1 4.28Å; A49-L53 VanDerWaalsContact O-CB 3.25Å; A49-L53 WeakPolarHBondContact O-CB 3.43Å; A49-L53 WeakPolarHBondContact O-CD1 3.49Å; A49-L53 WeakPolarHBondContact O-CG 3.37Å; A49-L53 PolarHBondContact O-N 3.4Å; L53-Q55 VanDerWaalsContact C-N 3.31Å; L53-Q55 PolarHBondContact O-N 3.33Å; L53-K56 PolarHBondContact O-N 3.34Å; L53-F57 HydrophobicContact CD2-CD2 3.86Å; L53-F57 HydrophobicContact CD2-CE2 3.6Å; L53-F57 PolarHBondContact O-N 2.94Å; L53-I63 HydrophobicContact CB-CD1 4.16Å; L53-L312 HydrophobicContact CD1-CD1 4Å; L53-L312 HydrophobicContact CD1-CD2 3.79Å; L53-A478 HydrophobicContact CD2-CB 3.98Å; L53-A478 HydrophobicContact CG-CB 3.96Å; L53-A481 HydrophobicContact CD2-CB 4.16Å
54	R	97.9	Very high	97.7	Very high	38 Å²	38	32.5 Å²	32.5	14%	0.143	16%	0.159	C	C	.	.	H	α-helix	trans	-60	-40.5	173.5	176.9	60.3	69.1	-162.6	4.2	112	A50 Y51 Y52 G58 K59 V61 I63 S265	A50-R54 WeakPolarHBondContact O-CB 3.32Å; A50-R54 PolarHBondContact O-N 2.82Å; Y51-R54 WeakPolarHBondContact O-CB 3.45Å; Y51-R54 PolarHBondContact O-N 3.13Å; Y52-R54 VanDerWaalsContact C-N 3.29Å; Y52-R54 PolarHBondContact O-N 2.95Å; R54-G58 VanDerWaalsContact CD-O 3.3Å; R54-G58 WeakPolarHBondContact CD-O 3.3Å; R54-G58 PolarHBondContact NH1-O 2.96Å; R54-G58 WeakPolarHBondContact O-CA 3.4Å; R54-G58 PolarHBondContact O-N 2.98Å; R54-G58 VanDerWaalsContact O-N 3.08Å; R54-K59 VanDerWaalsContact NH1-CA 3.34Å; R54-K59 PolarHBondContact NH1-O 2.8Å; R54-V61 VanDerWaalsContact CZ-O 3.28Å; R54-V61 PolarHBondContact NH1-O 2.99Å; R54-V61 PolarHBondContact NH2-O 3.43Å; R54-I63 HydrophobicContact CB-CD1 4.15Å; R54-S265 PolarHBondContact NE-O 2.76Å; R54-S265 PolarHBondContact NH2-O 3.49Å
55	Q	97.3	Very high	97.7	Very high	88 Å²	88	31.9 Å²	31.9	41%	0.411	16%	0.155	S	C	.	.	H	α-helix	trans	-66.8	-38.8	176.4	-70.1	-178.6	-10.8	0	0	112.5	Y51 Y52 L53	Y51-Q55 WeakPolarHBondContact O-CG 3.43Å; Y51-Q55 PolarHBondContact O-N 2.85Å; Y51-Q55 PolarHBondContact OH-NE2 3.11Å; Y52-Q55 WeakPolarHBondContact O-CB 3.44Å; Y52-Q55 PolarHBondContact O-N 3.04Å; Y52-Q55 VanDerWaalsContact O-N 3.13Å; L53-Q55 VanDerWaalsContact C-N 3.31Å; L53-Q55 PolarHBondContact O-N 3.33Å
56	K	97.1	Very high	97.7	Very high	52 Å²	52	31.7 Å²	31.7	23%	0.226	15%	0.153	C	C	.	.	H	α-helix	trans	-80.9	-40.9	-175.9	-69.1	-65.2	177.9	-177.1	0	114.2	Y52 L53 D173 L479 Y482	Y52-K56 WeakPolarHBondContact O-CG 3.39Å; Y52-K56 PolarHBondContact O-N 3.16Å; L53-K56 PolarHBondContact O-N 3.34Å; K56-D173 IonicContact NZ-OD1 2.81Å; K56-D173 PolarHBondContact NZ-OD1 3.45Å; K56-D173 IonicContact NZ-OD2 2.71Å; K56-D173 PolarHBondContact NZ-OD2 3.38Å; K56-L479 HydrophobicContact CD-CD2 4.46Å; K56-L479 VanDerWaalsContact CE-CD2 3.49Å; K56-Y482 HydrophobicContact CB-CD2 3.79Å; K56-Y482 HydrophobicContact CB-CE2 4.39Å; K56-Y482 HydrophobicContact CB-CG 4.14Å; K56-Y482 HydrophobicContact CD-CG 4.37Å; K56-Y482 WeakPolarHBondContact O-CE2 3.36Å
57	F	97.1	Very high	97.7	Very high	17 Å²	17	32.5 Å²	32.5	8%	0.075	16%	0.157	C	C	.	.	H	α-helix	trans	-99.1	-5.6	-176.3	-68.9	-69.1	0	0	0	114	P33 P34 I37 L53 V61 I310 A481 Y482 W485	P33-F57 HydrophobicContact CB-CD1 4.37Å; P34-F57 VanDerWaalsContact CD-CE1 3.43Å; P34-F57 HydrophobicContact CG-CD1 3.87Å; P34-F57 HydrophobicContact CG-CD2 4.38Å; P34-F57 HydrophobicContact CG-CE1 3.93Å; P34-F57 HydrophobicContact CG-CE2 4.45Å; P34-F57 HydrophobicContact CG-CG 4.07Å; P34-F57 HydrophobicContact CG-CZ 4.2Å; I37-F57 HydrophobicContact CD1-CD2 3.95Å; I37-F57 HydrophobicContact CD1-CE2 4.15Å; L53-F57 HydrophobicContact CD2-CD2 3.86Å; L53-F57 HydrophobicContact CD2-CE2 3.6Å; L53-F57 PolarHBondContact O-N 2.94Å; F57-V61 HydrophobicContact CB-CB 4.25Å; F57-V61 HydrophobicContact CB-CG1 3.82Å; F57-I310 HydrophobicContact CE2-CD1 4.28Å; F57-I310 HydrophobicContact CZ-CD1 4.01Å; F57-A481 HydrophobicContact CE2-CB 4.46Å; F57-Y482 HydrophobicContact CD1-CD2 4.15Å; F57-Y482 AromaticContact CE1-CD2 3.88Å; F57-Y482 HydrophobicContact CE1-CD2 3.88Å; F57-Y482 HydrophobicContact CZ-CD2 4.14Å; F57-W485 HydrophobicContact CE1-CB 4.14Å; F57-W485 AromaticContact CE1-CD1 3.9Å; F57-W485 AromaticContact CE1-CG 3.98Å; F57-W485 HydrophobicContact CE1-CG 3.98Å; F57-W485 HydrophobicContact CZ-CB 4.16Å; F57-W485 HydrophobicContact CZ-CG 4.37Å
58	G	95.8	Very high	97.5	Very high	31 Å²	31	38.3 Å²	38.3	32%	0.32	18%	0.179	S	C	.	.			trans	83.1	-172.9	175.4	0	0	0	0	0	114.1	R54 D60 V61	R54-G58 VanDerWaalsContact CD-O 3.3Å; R54-G58 WeakPolarHBondContact CD-O 3.3Å; R54-G58 PolarHBondContact NH1-O 2.96Å; R54-G58 WeakPolarHBondContact O-CA 3.4Å; R54-G58 PolarHBondContact O-N 2.98Å; R54-G58 VanDerWaalsContact O-N 3.08Å; G58-D60 PolarHBondContact O-N 2.84Å; G58-V61 WeakPolarHBondContact O-CG1 3.26Å
59	K	94.8	Very high	97.3	Very high	172 Å²	172	43.9 Å²	43.9	75%	0.748	21%	0.205	S	C	*	.	S	Bend	trans	-77.6	-16.2	-170.8	65.7	179.7	-177.7	178.5	0	114.8	R54	R54-K59 VanDerWaalsContact NH1-CA 3.34Å; R54-K59 PolarHBondContact NH1-O 2.8Å
60	D	92.9	Very high	97.1	Very high	132 Å²	132	50.7 Å²	50.7	71%	0.706	24%	0.237	S	C	*	.	S	Bend	trans	-87.8	-20.1	-170.8	-58	-42.5	0	0	0	112.6	G58 K62	G58-D60 PolarHBondContact O-N 2.84Å; D60-K62 PolarHBondContact O-N 2.86Å
61	V	96.1	Very high	97.1	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.018	25%	0.245	C	C	.	.	S	Bend	trans	-66.1	134.1	174.4	63.1	0	0	0	0	111.1	P34 I37 R54 F57 G58 I63	P34-V61 HydrophobicContact CG-CG2 4.18Å; P34-V61 WeakPolarHBondContact O-CG2 3.49Å; I37-V61 HydrophobicContact CD1-CG2 3.78Å; I37-V61 HydrophobicContact CG1-CG2 3.74Å; R54-V61 VanDerWaalsContact CZ-O 3.28Å; R54-V61 PolarHBondContact NH1-O 2.99Å; R54-V61 PolarHBondContact NH2-O 3.43Å; F57-V61 HydrophobicContact CB-CB 4.25Å; F57-V61 HydrophobicContact CB-CG1 3.82Å; G58-V61 WeakPolarHBondContact O-CG1 3.26Å; V61-I63 HydrophobicContact CG1-CD1 4.22Å; V61-I63 HydrophobicContact CG1-CG1 4.14Å; V61-I63 HydrophobicContact CG2-CG1 4.34Å
62	K	98.3	Very high	97	Very high	100 Å²	100	50.9 Å²	50.9	44%	0.435	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.8	169.8	-179.8	174.1	175	-175.9	0	109.5	D35 K36 I37 D60 D64	D35-K62 PolarHBondContact O-N 3.06Å; K36-K62 CarbonylContact C-O 3.45Å; K36-K62 WeakPolarHBondContact CA-O 3.48Å; K36-K62 HydrophobicContact CD-CD 4.43Å; K36-K62 HydrophobicContact CG-CB 4.11Å; K36-K62 HydrophobicContact CG-CD 4.28Å; K36-K62 HydrophobicContact CG-CG 4.16Å; I37-K62 PolarHBondContact N-O 2.99Å; D60-K62 PolarHBondContact O-N 2.86Å; K62-D64 WeakPolarHBondContact CE-OD1 3.5Å
63	I	98.8	Very high	96.8	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	114.8	178.4	-55.9	174.6	0	0	0	107.7	I37 I39 A50 L53 R54 V61 S267 N268	I37-I63 WeakPolarHBondContact O-CA 3.36Å; I39-I63 HydrophobicContact CD1-CG2 3.64Å; I39-I63 HydrophobicContact CG1-CG2 4.23Å; A50-I63 HydrophobicContact CB-CG2 4.29Å; L53-I63 HydrophobicContact CB-CD1 4.16Å; R54-I63 HydrophobicContact CB-CD1 4.15Å; V61-I63 HydrophobicContact CG1-CD1 4.22Å; V61-I63 HydrophobicContact CG1-CG1 4.14Å; V61-I63 HydrophobicContact CG2-CG1 4.34Å; I63-S267 WeakPolarHBondContact CB-OG 3.13Å; I63-S267 VanDerWaalsContact CG2-OG 3.31Å; I63-S267 WeakPolarHBondContact CG2-OG 3.37Å; I63-S267 WeakPolarHBondContact O-CA 3.39Å; I63-S267 WeakPolarHBondContact O-CB 3.48Å; I63-N268 PolarHBondContact O-N 3.16Å
64	D	98.8	Very high	96.7	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.011	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.1	171.6	-70.5	-16.7	0	0	0	109	K36 I37 A38 I39 K62 F66 N268 I270 Y308	K36-D64 WeakPolarHBondContact CE-OD2 3.18Å; K36-D64 IonicContact NZ-OD2 3.57Å; K36-D64 PolarHBondContact NZ-OD2 3.14Å; I37-D64 PolarHBondContact O-N 3.36Å; A38-D64 CarbonylContact C-O 3.34Å; A38-D64 WeakPolarHBondContact CA-O 3.45Å; I39-D64 PolarHBondContact N-O 3.18Å; K62-D64 WeakPolarHBondContact CE-OD1 3.5Å; D64-F66 HydrophobicContact CB-CE2 4.31Å; D64-N268 WeakPolarHBondContact CA-O 3.32Å; D64-N268 VanDerWaalsContact OD1-CB 3.31Å; D64-N268 WeakPolarHBondContact OD1-CB 3.47Å; D64-N268 PolarHBondContact OD1-ND2 3.31Å; D64-I270 HydrophobicContact CB-CD1 3.78Å; D64-I270 HydrophobicContact CB-CG1 4.49Å; D64-Y308 HydrophobicContact CB-CE1 3.94Å; D64-Y308 PolarHBondContact OD2-OH 2.69Å; D64-Y308 VanDerWaalsContact OD2-OH 3.06Å
65	L	98.7	Very high	96.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113.6	178.9	-174.7	69.1	0	0	0	108.6	I39 A42 T47 L262 N268 L269 I270	I39-L65 HydrophobicContact CB-CD1 3.49Å; I39-L65 VanDerWaalsContact CB-CD1 3.49Å; I39-L65 HydrophobicContact CD1-CD1 4.47Å; I39-L65 HydrophobicContact CG2-CD1 3.39Å; I39-L65 CarbonylContact O-C 3.59Å; I39-L65 WeakPolarHBondContact O-CA 3.37Å; A42-L65 HydrophobicContact CB-CD1 4.49Å; A42-L65 HydrophobicContact CB-CD2 3.52Å; A42-L65 HydrophobicContact CB-CG 3.89Å; T47-L65 HydrophobicContact CG2-CD2 3.81Å; L65-L262 HydrophobicContact CD2-CD1 3.76Å; L65-N268 PolarHBondContact N-O 2.92Å; L65-L269 HydrophobicContact CD2-CD1 4.49Å; L65-L269 WeakPolarHBondContact O-CA 3.25Å; L65-I270 PolarHBondContact O-N 3.19Å
66	F	98.6	Very high	96.6	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.009	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.2	179.6	-64.9	-87.8	0	0	0	110.8	A38 I39 I40 G41 D64 I270 V274 V295 Y297 Y308	A38-F66 HydrophobicContact CB-CD2 4.41Å; A38-F66 HydrophobicContact CB-CE2 3.86Å; I39-F66 PolarHBondContact O-N 3.33Å; I40-F66 HydrophobicContact CG1-CD2 4.38Å; G41-F66 VanDerWaalsContact CA-O 3.31Å; G41-F66 WeakPolarHBondContact CA-O 3.35Å; G41-F66 PolarHBondContact N-O 3.4Å; D64-F66 HydrophobicContact CB-CE2 4.31Å; F66-I270 WeakPolarHBondContact CA-O 3.36Å; F66-I270 HydrophobicContact CD1-CB 3.77Å; F66-I270 HydrophobicContact CD1-CD1 4.25Å; F66-I270 HydrophobicContact CD1-CG2 3.72Å; F66-I270 HydrophobicContact CE1-CB 3.97Å; F66-I270 HydrophobicContact CE1-CD1 3.61Å; F66-I270 HydrophobicContact CE1-CG1 4.38Å; F66-I270 HydrophobicContact CE1-CG2 3.76Å; F66-I270 HydrophobicContact CG-CB 4.48Å; F66-I270 HydrophobicContact CZ-CD1 3.81Å; F66-V274 HydrophobicContact CB-CG2 3.95Å; F66-V274 HydrophobicContact CD1-CG2 4.04Å; F66-V274 HydrophobicContact CD2-CG2 4.2Å; F66-V274 HydrophobicContact CG-CG2 3.8Å; F66-V295 HydrophobicContact CE2-CG1 4.28Å; F66-V295 HydrophobicContact CZ-CG1 4.26Å; F66-Y297 HydrophobicContact CD1-CD1 4.37Å; F66-Y297 HydrophobicContact CD1-CD2 4.37Å; F66-Y297 HydrophobicContact CD1-CG 4.09Å; F66-Y297 AromaticContact CE1-CD1 3.39Å; F66-Y297 HydrophobicContact CE1-CD1 3.39Å; F66-Y297 AromaticContact CE1-CD2 3.88Å; F66-Y297 HydrophobicContact CE1-CD2 3.88Å; F66-Y297 AromaticContact CE1-CE1 3.66Å; F66-Y297 HydrophobicContact CE1-CE1 3.66Å; F66-Y297 HydrophobicContact CE1-CE2 4.12Å; F66-Y297 AromaticContact CE1-CG 3.5Å; F66-Y297 HydrophobicContact CE1-CG 3.5Å; F66-Y297 VanDerWaalsContact CE1-CG 3.5Å; F66-Y297 AromaticContact CZ-CD1 3.85Å; F66-Y297 HydrophobicContact CZ-CD1 3.85Å; F66-Y297 AromaticContact CZ-CE1 3.96Å; F66-Y297 HydrophobicContact CZ-CE1 3.96Å; F66-Y297 HydrophobicContact CZ-CG 4.38Å; F66-Y308 HydrophobicContact CE2-CE2 4.35Å; F66-Y308 AromaticContact CE2-CZ 3.96Å; F66-Y308 HydrophobicContact CZ-CE2 4.24Å; F66-Y308 AromaticContact CZ-CZ 3.9Å; F66-Y308 VanDerWaalsContact CZ-OH 3.27Å; F66-Y308 WeakPolarHBondContact CZ-OH 3.1Å
67	E	97.9	Very high	96.6	Very high	17 Å²	17	49 Å²	49	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	128.5	174.5	-178.2	46.7	-106.6	0	0	110.2	A42 E69 L269 I270 S271 G272	A42-E67 WeakPolarHBondContact CA-OE2 3.23Å; A42-E67 HydrophobicContact CB-CB 3.66Å; A42-E67 HydrophobicContact CB-CG 3.88Å; A42-E67 WeakPolarHBondContact CB-OE2 3.5Å; A42-E67 PolarHBondContact N-OE2 2.61Å; E67-E69 PolarHBondContact OE1-N 3.44Å; E67-L269 HydrophobicContact CB-CD1 3.93Å; E67-I270 PolarHBondContact N-O 3.29Å; E67-S271 CarbonylContact O-C 3.55Å; E67-S271 WeakPolarHBondContact O-CA 3.03Å; E67-G272 CarbonylContact C-O 3.6Å; E67-G272 PolarHBondContact O-N 2.89Å
68	R	95	Very high	96.6	Very high	121 Å²	121	49 Å²	49	46%	0.457	25%	0.246	S	C	.	.	S	Bend	trans	-89.9	-22.8	-178.4	63.3	162.9	-154.7	-165.7	-2.6	113.2	M321	R68-M321 PolarHBondContact NH1-O 2.89Å; R68-M321 PolarHBondContact NH2-O 2.85Å
69	E	94	Very high	96.5	Very high	118 Å²	118	52 Å²	52	55%	0.551	25%	0.253	S	S	*	.	S	Bend	trans	-120.4	-119.1	-178.8	-71.9	171.9	-134.2	0	0	109.1	E67	E67-E69 PolarHBondContact OE1-N 3.44Å
70	E	95.4	Very high	96.4	Very high	142 Å²	142	43.9 Å²	43.9	66%	0.664	22%	0.218	S	C	*	.			trans	-111.8	143.4	-178.5	-66	-177.5	176.7	0	0	110.9	G72 G73	E70-G72 PolarHBondContact O-N 2.93Å; E70-G73 PolarHBondContact O-N 3.03Å
71	V	98	Very high	96.2	Very high	30 Å²	30	42.7 Å²	42.7	18%	0.182	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	130.3	170.7	178.2	0	0	0	0	108.9	A42 T47 C258 L262 L269	A42-V71 HydrophobicContact CB-CB 4.41Å; A42-V71 HydrophobicContact CB-CG1 4.32Å; A42-V71 HydrophobicContact CB-CG2 4.01Å; T47-V71 HydrophobicContact CG2-CG1 4.36Å; V71-C258 HydrophobicContact CG1-CB 3.93Å; V71-L262 HydrophobicContact CG1-CD2 4.27Å; V71-L262 HydrophobicContact CG2-CD2 3.92Å; V71-L269 HydrophobicContact CG2-CD1 3.89Å; V71-L269 HydrophobicContact CG2-CD2 3.71Å; V71-L269 HydrophobicContact CG2-CG 4.49Å
72	G	96.5	Very high	95.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.01	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	120.6	-34.3	-173.2	0	0	0	0	0	113.1	A42 E70 R74 L75	A42-G72 PolarHBondContact O-N 3.04Å; E70-G72 PolarHBondContact O-N 2.93Å; G72-R74 PolarHBondContact O-N 3.26Å; G72-R74 VanDerWaalsContact O-N 3.14Å; G72-L75 CarbonylContact C-O 3.56Å; G72-L75 WeakPolarHBondContact O-CB 3.1Å; G72-L75 PolarHBondContact O-N 2.67Å
73	G	95.5	Very high	95.6	Very high	37 Å²	37	44.2 Å²	44.2	38%	0.381	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	-114.4	-178.1	0	0	0	0	0	112.1	E70 L75	E70-G73 PolarHBondContact O-N 3.03Å; G73-L75 PolarHBondContact O-N 3.19Å
74	R	95.8	Very high	95.4	Very high	59 Å²	59	46.1 Å²	46.1	22%	0.223	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	0.9	175.8	-76.6	170.2	-67.1	-179.5	-1.4	114.1	G72 G88 G89 W433 A435 E461 S465	G72-R74 PolarHBondContact O-N 3.26Å; G72-R74 VanDerWaalsContact O-N 3.14Å; R74-G88 VanDerWaalsContact O-CA 3.32Å; R74-G88 WeakPolarHBondContact O-CA 3.36Å; R74-G89 PolarHBondContact O-N 3.44Å; R74-G89 VanDerWaalsContact O-N 3.13Å; R74-W433 HydrophobicContact CG-CE3 4.2Å; R74-W433 HydrophobicContact CG-CZ3 4.44Å; R74-A435 WeakPolarHBondContact CD-O 3.27Å; R74-A435 PolarHBondContact NH1-O 3.42Å; R74-E461 IonicContact CZ-OE1 2.7Å; R74-E461 IonicContact CZ-OE2 3.09Å; R74-E461 IonicContact NH1-OE1 3.76Å; R74-E461 PolarHBondContact NH1-OE1 3.11Å; R74-E461 IonicContact NH1-OE2 2.72Å; R74-E461 PolarHBondContact NH1-OE2 3.12Å; R74-E461 IonicContact NH2-OE1 3.58Å; R74-E461 PolarHBondContact NH2-OE1 2.94Å; R74-E461 IonicContact NH2-OE2 3.79Å; R74-S465 PolarHBondContact NH1-OG 2.9Å
75	L	97.2	Very high	95.2	Very high	10 Å²	10	47 Å²	47	5%	0.052	24%	0.243	C	C	.	.			trans	-97.4	100.9	164.2	-55.4	-173.9	0	0	0	107.4	I44 G72 G73 N254 K255 M467	I44-L75 HydrophobicContact CB-CD1 3.97Å; I44-L75 HydrophobicContact CG1-CD1 4.49Å; I44-L75 HydrophobicContact CG2-CD1 4.42Å; G72-L75 CarbonylContact C-O 3.56Å; G72-L75 WeakPolarHBondContact O-CB 3.1Å; G72-L75 PolarHBondContact O-N 2.67Å; G73-L75 PolarHBondContact O-N 3.19Å; L75-N254 HydrophobicContact CD1-CB 4.38Å; L75-N254 HydrophobicContact CD2-CB 4.47Å; L75-K255 HydrophobicContact CB-CB 4.34Å; L75-K255 VanDerWaalsContact O-CB 3.26Å; L75-K255 WeakPolarHBondContact O-CB 3.4Å; L75-M467 HydrophobicContact CD1-CG 4.09Å; L75-M467 HydrophobicContact CD1-SD 3.85Å; L75-M467 HydrophobicContact CD2-CE 4.44Å; L75-M467 HydrophobicContact CD2-CG 3.7Å; L75-M467 HydrophobicContact CD2-SD 3.57Å; L75-M467 VanDerWaalsContact CD2-SD 3.57Å; L75-M467 HydrophobicContact CG-CG 4.44Å; L75-M467 HydrophobicContact CG-SD 4.37Å
76	A	96.4	Very high	95.1	Very high	11 Å²	11	48 Å²	48	9%	0.091	25%	0.248	C	C	.	.			trans	-148.9	155.4	-175.9	0	0	0	0	0	110.7	A87 G88 W433	A76-A87 WeakPolarHBondContact O-CA 3.34Å; A76-A87 WeakPolarHBondContact O-CB 3.45Å; A76-A87 PolarHBondContact O-N 3.22Å; A76-G88 PolarHBondContact O-N 2.97Å; A76-W433 HydrophobicContact CB-CH2 3.63Å; A76-W433 HydrophobicContact CB-CZ2 4.16Å
77	T	96.9	Very high	94.9	Very high	23 Å²	23	47.9 Å²	47.9	14%	0.141	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	162.3	175.8	57.4	0	0	0	0	110.7	E84 Y85 K255 V389	T77-E84 PolarHBondContact OG1-OE1 3.33Å; T77-Y85 CarbonylContact C-O 3.56Å; T77-Y85 WeakPolarHBondContact CA-O 3.39Å; T77-Y85 WeakPolarHBondContact CB-O 3.21Å; T77-K255 HydrophobicContact CG2-CD 4.28Å; T77-K255 WeakPolarHBondContact OG1-CE 3.33Å; T77-K255 PolarHBondContact OG1-NZ 3.26Å; T77-V389 HydrophobicContact CG2-CG1 4.06Å
78	M	96.5	Very high	94.7	Very high	15 Å²	15	47.7 Å²	47.7	7%	0.074	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.9	168.8	-78.4	-173.4	-59.1	0	0	110.2	E84 Y85 A87 T345 L347 V429 K430 K431	M78-E84 WeakPolarHBondContact O-CA 3.34Å; M78-Y85 PolarHBondContact N-O 2.84Å; M78-Y85 PolarHBondContact O-N 3.13Å; M78-A87 HydrophobicContact CB-CB 4.27Å; M78-A87 HydrophobicContact CE-CB 3.71Å; M78-A87 HydrophobicContact CG-CB 3.69Å; M78-A87 HydrophobicContact SD-CB 4.23Å; M78-T345 HydrophobicContact CE-CG2 3.92Å; M78-L347 HydrophobicContact CB-CD1 3.83Å; M78-L347 HydrophobicContact CE-CB 4.35Å; M78-L347 HydrophobicContact CE-CD1 3.62Å; M78-L347 HydrophobicContact CE-CG 3.62Å; M78-V429 HydrophobicContact CB-CG1 4.21Å; M78-V429 HydrophobicContact CE-CG1 4.33Å; M78-V429 HydrophobicContact SD-CG1 4.04Å; M78-V429 HydrophobicContact SD-CG2 3.94Å; M78-K430 VanDerWaalsContact SD-C 3.56Å; M78-K431 HydrophobicContact CE-CB 4.15Å; M78-K431 HydrophobicContact CG-CB 4.35Å; M78-K431 HydrophobicContact SD-CB 3.48Å; M78-K431 WeakPolarHBondContact SD-CB 3.29Å
79	M	95.1	Very high	94.5	Very high	94 Å²	94	43 Å²	43	46%	0.463	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128.2	175.9	-75.7	-70.5	-77.3	0	0	110.8	Q83 E84	M79-Q83 CarbonylContact C-O 3.57Å; M79-Q83 WeakPolarHBondContact CA-O 3.46Å; M79-E84 HydrophobicContact CG-CG 4.19Å; M79-E84 HydrophobicContact SD-CB 4.32Å; M79-E84 HydrophobicContact SD-CG 3.28Å; M79-E84 WeakPolarHBondContact SD-CG 3.38Å
80	V	93.1	Very high	94.3	Very high	2 Å²	2	39 Å²	39	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	112.5	170	177.6	0	0	0	0	107.5	G82 Q83 Y85 L347 K349 V404 Y427 V429	V80-G82 VanDerWaalsContact C-N 3.27Å; V80-G82 PolarHBondContact O-N 2.98Å; V80-G82 VanDerWaalsContact O-N 3.14Å; V80-Q83 PolarHBondContact N-O 3.27Å; V80-Q83 PolarHBondContact O-N 3.3Å; V80-Y85 HydrophobicContact CB-CD2 3.88Å; V80-Y85 HydrophobicContact CB-CE2 3.73Å; V80-Y85 HydrophobicContact CG1-CE2 4.49Å; V80-Y85 HydrophobicContact CG2-CD2 4.04Å; V80-Y85 HydrophobicContact CG2-CE2 4.36Å; V80-L347 HydrophobicContact CG2-CB 3.84Å; V80-L347 HydrophobicContact CG2-CD1 3.75Å; V80-L347 HydrophobicContact CG2-CG 4.47Å; V80-K349 HydrophobicContact CG1-CB 4.18Å; V80-V404 HydrophobicContact CG1-CG1 4.48Å; V80-V404 HydrophobicContact CG1-CG2 4.06Å; V80-Y427 HydrophobicContact CB-CD1 4.31Å; V80-Y427 HydrophobicContact CB-CE1 4.38Å; V80-Y427 HydrophobicContact CG1-CD1 3.78Å; V80-Y427 HydrophobicContact CG1-CE1 4.34Å; V80-Y427 HydrophobicContact CG2-CD1 4.24Å; V80-Y427 HydrophobicContact CG2-CE1 4.14Å; V80-V429 HydrophobicContact CG2-CG1 3.78Å
81	Q	88.4	Confident	94.2	Very high	108 Å²	108	34.8 Å²	34.8	51%	0.505	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	44.2	178.7	-62.8	-167.3	-12	0	0	115	K349	Q81-K349 HydrophobicContact CG-CD 4.38Å; Q81-K349 VanDerWaalsContact OE1-CD 3.22Å
82	G	88.6	Confident	94	Very high	55 Å²	55	33.3 Å²	33.3	57%	0.567	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.8	-3.4	176.3	0	0	0	0	0	115.3	V80	V80-G82 VanDerWaalsContact C-N 3.27Å; V80-G82 PolarHBondContact O-N 2.98Å; V80-G82 VanDerWaalsContact O-N 3.14Å
83	Q	92.1	Very high	94	Very high	80 Å²	80	33.9 Å²	33.9	37%	0.374	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	146.9	174.3	-63.9	-62.7	-30.1	0	0	110.9	M79 V80 Y85 S388	M79-Q83 CarbonylContact C-O 3.57Å; M79-Q83 WeakPolarHBondContact CA-O 3.46Å; V80-Q83 PolarHBondContact N-O 3.27Å; V80-Q83 PolarHBondContact O-N 3.3Å; Q83-Y85 HydrophobicContact CB-CD2 4.47Å; Q83-Y85 HydrophobicContact CB-CE2 3.59Å; Q83-S388 PolarHBondContact OE1-OG 3.18Å; Q83-S388 VanDerWaalsContact OE1-OG 3.04Å
84	E	94.3	Very high	94	Very high	41 Å²	41	33.7 Å²	33.7	19%	0.192	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	139.2	176.9	-75.3	-170.6	106.7	0	0	110.9	T77 M78 M79 K255 S388 V389	T77-E84 PolarHBondContact OG1-OE1 3.33Å; M78-E84 WeakPolarHBondContact O-CA 3.34Å; M79-E84 HydrophobicContact CG-CG 4.19Å; M79-E84 HydrophobicContact SD-CB 4.32Å; M79-E84 HydrophobicContact SD-CG 3.28Å; M79-E84 WeakPolarHBondContact SD-CG 3.38Å; E84-K255 IonicContact OE1-NZ 3.67Å; E84-K255 PolarHBondContact OE1-NZ 3.41Å; E84-S388 WeakPolarHBondContact O-CA 3.16Å; E84-S388 PolarHBondContact O-OG 2.72Å; E84-V389 HydrophobicContact CB-CG2 3.74Å; E84-V389 WeakPolarHBondContact O-CG2 3.48Å; E84-V389 PolarHBondContact O-N 2.85Å
85	Y	95	Very high	93.9	Very high	20 Å²	20	33.5 Å²	33.5	8%	0.078	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.7	178.9	-64	-96.9	0	0	0	110.2	T77 M78 V80 Q83 A87 L347 V386 S387 V404	T77-Y85 CarbonylContact C-O 3.56Å; T77-Y85 WeakPolarHBondContact CA-O 3.39Å; T77-Y85 WeakPolarHBondContact CB-O 3.21Å; M78-Y85 PolarHBondContact N-O 2.84Å; M78-Y85 PolarHBondContact O-N 3.13Å; V80-Y85 HydrophobicContact CB-CD2 3.88Å; V80-Y85 HydrophobicContact CB-CE2 3.73Å; V80-Y85 HydrophobicContact CG1-CE2 4.49Å; V80-Y85 HydrophobicContact CG2-CD2 4.04Å; V80-Y85 HydrophobicContact CG2-CE2 4.36Å; Q83-Y85 HydrophobicContact CB-CD2 4.47Å; Q83-Y85 HydrophobicContact CB-CE2 3.59Å; Y85-A87 PolarHBondContact O-N 3.41Å; Y85-L347 HydrophobicContact CD2-CD1 4.48Å; Y85-L347 HydrophobicContact CG-CD1 4.23Å; Y85-V386 HydrophobicContact CD1-CB 4.44Å; Y85-V386 HydrophobicContact CD1-CG2 3.82Å; Y85-V386 HydrophobicContact CE1-CG2 4.42Å; Y85-V386 WeakPolarHBondContact CE1-O 3.4Å; Y85-S387 WeakPolarHBondContact CD1-O 3.46Å; Y85-S387 VanDerWaalsContact CE1-C 3.45Å; Y85-V404 HydrophobicContact CD1-CB 4.47Å; Y85-V404 HydrophobicContact CD1-CG1 4.15Å; Y85-V404 HydrophobicContact CE1-CB 3.87Å; Y85-V404 HydrophobicContact CE1-CG1 4Å; Y85-V404 HydrophobicContact CE1-CG2 4.06Å; Y85-V404 HydrophobicContact CE2-CG1 4.46Å; Y85-V404 HydrophobicContact CE2-CG2 4.25Å; Y85-V404 HydrophobicContact CG-CG1 4.44Å; Y85-V404 WeakPolarHBondContact OH-CG2 3.39Å
86	E	96	Very high	94	Very high	21 Å²	21	34.4 Å²	34.4	10%	0.098	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	122.1	176.6	-78.1	-63.4	167.2	0	0	111.8	G253 N254 V389 K406	E86-G253 WeakPolarHBondContact OE1-CA 3.5Å; E86-N254 PolarHBondContact OE1-N 2.92Å; E86-V389 HydrophobicContact CG-CG1 4Å; E86-K406 PolarHBondContact O-NZ 2.7Å
87	A	95.6	Very high	94	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.			trans	-103	-22.5	178.9	0	0	0	0	0	112.6	A76 M78 Y85 T345 W433	A76-A87 WeakPolarHBondContact O-CA 3.34Å; A76-A87 WeakPolarHBondContact O-CB 3.45Å; A76-A87 PolarHBondContact O-N 3.22Å; M78-A87 HydrophobicContact CB-CB 4.27Å; M78-A87 HydrophobicContact CE-CB 3.71Å; M78-A87 HydrophobicContact CG-CB 3.69Å; M78-A87 HydrophobicContact SD-CB 4.23Å; Y85-A87 PolarHBondContact O-N 3.41Å; A87-T345 WeakPolarHBondContact O-CB 3.45Å; A87-T345 PolarHBondContact O-OG1 2.93Å; A87-W433 HydrophobicContact CB-CZ2 4.11Å; A87-W433 PolarHBondContact O-NE1 3.16Å
88	G	93.1	Very high	94.1	Very high	13 Å²	13	36.4 Å²	36.4	13%	0.134	21%	0.209	C	C	.	.	S	Bend	trans	-116.3	-131.2	-179.6	0	0	0	0	0	112.4	R74 A76 S90	R74-G88 VanDerWaalsContact O-CA 3.32Å; R74-G88 WeakPolarHBondContact O-CA 3.36Å; A76-G88 PolarHBondContact O-N 2.97Å; G88-S90 PolarHBondContact O-N 2.81Å; G88-S90 PolarHBondContact O-OG 2.91Å
89	G	91.4	Very high	94.2	Very high	24 Å²	24	35.7 Å²	35.7	25%	0.247	21%	0.206	C	C	.	.			trans	-58.7	106.2	176.9	0	0	0	0	0	112	R74 N254	R74-G89 PolarHBondContact O-N 3.44Å; R74-G89 VanDerWaalsContact O-N 3.13Å; G89-N254 PolarHBondContact O-ND2 2.98Å
90	S	89.8	Confident	94.3	Very high	32 Å²	32	35.5 Å²	35.5	22%	0.224	20%	0.202	C	C	.	.			trans	-100	-29.6	-164.1	-52.6	0	0	0	0	114.5	G88 N254 K406	G88-S90 PolarHBondContact O-N 2.81Å; G88-S90 PolarHBondContact O-OG 2.91Å; S90-N254 PolarHBondContact O-ND2 3.05Å; S90-K406 PolarHBondContact OG-NZ 3.33Å
91	V	91.9	Very high	94.6	Very high	54 Å²	54	40.2 Å²	40.2	33%	0.327	22%	0.22	S	C	.	.			trans	-127.2	147.9	-172.4	-63.7	0	0	0	0	111.5	A113 L247 M467	V91-A113 HydrophobicContact CG1-CB 3.82Å; V91-L247 HydrophobicContact CB-CB 4.33Å; V91-L247 HydrophobicContact CB-CD1 4.4Å; V91-L247 HydrophobicContact CG2-CD1 4.33Å; V91-M467 WeakPolarHBondContact O-CE 3.42Å
92	I	95.6	Very high	95.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-123.5	130.9	-179.9	-55.2	166.8	0	0	0	108.2	N96 M99 L247 W248 V250 M467	I92-N96 HydrophobicContact CG2-CB 3.77Å; I92-M99 HydrophobicContact CD1-CE 3.76Å; I92-M99 HydrophobicContact CG1-CE 4.48Å; I92-M99 HydrophobicContact CG2-CB 3.75Å; I92-M99 HydrophobicContact CG2-CG 4.19Å; I92-L247 WeakPolarHBondContact O-CA 3.38Å; I92-W248 WeakPolarHBondContact CA-O 3.4Å; I92-W248 HydrophobicContact CB-CD2 3.96Å; I92-W248 HydrophobicContact CB-CE3 4.24Å; I92-W248 HydrophobicContact CB-CG 4.5Å; I92-W248 HydrophobicContact CB-CH2 4.16Å; I92-W248 HydrophobicContact CB-CZ2 3.85Å; I92-W248 HydrophobicContact CB-CZ3 4.33Å; I92-W248 WeakPolarHBondContact CB-O 3.49Å; I92-W248 HydrophobicContact CD1-CE3 3.95Å; I92-W248 HydrophobicContact CD1-CH2 3.63Å; I92-W248 HydrophobicContact CD1-CZ2 4.23Å; I92-W248 HydrophobicContact CD1-CZ3 3.45Å; I92-W248 VanDerWaalsContact CD1-CZ3 3.45Å; I92-W248 HydrophobicContact CG1-CH2 4.48Å; I92-W248 HydrophobicContact CG1-CZ3 4.47Å; I92-W248 HydrophobicContact CG2-CD2 4.26Å; I92-W248 HydrophobicContact CG2-CH2 3.77Å; I92-W248 HydrophobicContact CG2-CZ2 3.24Å; I92-W248 HydrophobicContact CG2-CZ3 4.43Å; I92-W248 PolarHBondContact N-O 2.71Å; I92-W248 PolarHBondContact O-N 3.46Å; I92-W248 PolarHBondContact O-NE1 2.84Å; I92-V250 HydrophobicContact CD1-CG2 4.26Å; I92-M467 HydrophobicContact CD1-CE 4.45Å; I92-M467 HydrophobicContact CD1-SD 4.43Å; I92-M467 HydrophobicContact CG1-CE 3.52Å; I92-M467 HydrophobicContact CG1-SD 4.05Å
93	H	95.6	Very high	95.5	Very high	13 Å²	13	32.8 Å²	32.8	6%	0.06	17%	0.171	C	C	.	.			trans	-79.9	147.7	-179.6	-173.5	-101.1	0	0	0	111.4	L95 N96 S241 D244 L247 W248	H93-L95 WeakPolarHBondContact ND1-CB 3.47Å; H93-L95 PolarHBondContact ND1-N 3.47Å; H93-L95 PolarHBondContact O-N 2.96Å; H93-L95 VanDerWaalsContact O-N 3.15Å; H93-N96 PolarHBondContact N-ND2 3.13Å; H93-N96 VanDerWaalsContact O-CB 3.28Å; H93-N96 WeakPolarHBondContact O-CB 3.46Å; H93-N96 PolarHBondContact O-N 3.23Å; H93-S241 PolarHBondContact CD2-O 3.34Å; H93-S241 VanDerWaalsContact CD2-O 3.26Å; H93-D244 IonicContact NE2-OD2 2.63Å; H93-L247 HydrophobicContact CB-CD2 4.26Å; H93-W248 PolarHBondContact O-NE1 2.97Å
94	P	94.7	Very high	95.8	Very high	32 Å²	32	37 Å²	37	21%	0.208	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.2	175.1	-31.1	37.6	0	0	0	115.3	N96 K100 G246	P94-N96 VanDerWaalsContact C-N 3.3Å; P94-K100 WeakPolarHBondContact O-CD 3.37Å; P94-K100 WeakPolarHBondContact O-CE 3.09Å; P94-K100 PolarHBondContact O-NZ 3.39Å; P94-G246 WeakPolarHBondContact CG-O 3.44Å
95	L	95.6	Very high	96	Very high	55 Å²	55	38.6 Å²	38.6	29%	0.288	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	4.6	178.7	-58.8	-178.3	0	0	0	113.9	H93 L97 L160 M164 Y167	H93-L95 WeakPolarHBondContact ND1-CB 3.47Å; H93-L95 PolarHBondContact ND1-N 3.47Å; H93-L95 PolarHBondContact O-N 2.96Å; H93-L95 VanDerWaalsContact O-N 3.15Å; L95-L97 PolarHBondContact O-N 2.99Å; L95-L160 HydrophobicContact CD1-CB 4.23Å; L95-L160 HydrophobicContact CD1-CD1 4.09Å; L95-L160 HydrophobicContact CD1-CD2 4.5Å; L95-M164 HydrophobicContact CB-SD 3.82Å; L95-M164 HydrophobicContact CD1-SD 4.23Å; L95-M164 HydrophobicContact CD2-CE 4.3Å; L95-M164 HydrophobicContact CD2-SD 4.32Å; L95-M164 HydrophobicContact CG-SD 4.35Å; L95-Y167 PolarHBondContact O-OH 3.33Å
96	N	97.3	Very high	96.1	Very high	29 Å²	29	39.7 Å²	39.7	16%	0.155	21%	0.205	C	C	.	.			trans	-80.2	81.3	173.5	-67.2	3.1	0	0	0	109.7	I92 H93 P94 M99 K100 E468	I92-N96 HydrophobicContact CG2-CB 3.77Å; H93-N96 PolarHBondContact N-ND2 3.13Å; H93-N96 VanDerWaalsContact O-CB 3.28Å; H93-N96 WeakPolarHBondContact O-CB 3.46Å; H93-N96 PolarHBondContact O-N 3.23Å; P94-N96 VanDerWaalsContact C-N 3.3Å; N96-M99 HydrophobicContact CB-CB 4.18Å; N96-M99 HydrophobicContact CB-CG 4.4Å; N96-M99 PolarHBondContact O-N 3.38Å; N96-K100 WeakPolarHBondContact O-CG 3.3Å; N96-K100 PolarHBondContact O-N 3.45Å; N96-E468 VanDerWaalsContact CA-CD 3.44Å; N96-E468 WeakPolarHBondContact CA-OE2 3.39Å; N96-E468 HydrophobicContact CB-CB 3.99Å; N96-E468 HydrophobicContact CB-CG 3.95Å; N96-E468 VanDerWaalsContact CB-OE2 3.29Å; N96-E468 WeakPolarHBondContact CB-OE2 3.23Å
97	L	98	Very high	96.2	Very high	66 Å²	66	41.9 Å²	41.9	35%	0.346	23%	0.234	S	C	.	.	H	α-helix	trans	-74.2	-28.5	-168.2	-55.7	-169.6	0	0	0	113	L95 K100 R101 M164 Y167 E468	L95-L97 PolarHBondContact O-N 2.99Å; L97-K100 HydrophobicContact CD2-CD 4.29Å; L97-R101 VanDerWaalsContact O-CB 3.26Å; L97-R101 WeakPolarHBondContact O-CB 3.45Å; L97-R101 PolarHBondContact O-N 2.94Å; L97-M164 HydrophobicContact CD1-CE 3.63Å; L97-M164 HydrophobicContact CD2-CE 4.38Å; L97-M164 HydrophobicContact CG-CE 3.92Å; L97-Y167 HydrophobicContact CB-CD1 3.89Å; L97-Y167 HydrophobicContact CB-CD2 4.44Å; L97-Y167 HydrophobicContact CB-CE1 3.54Å; L97-Y167 HydrophobicContact CB-CE2 4.12Å; L97-Y167 HydrophobicContact CB-CG 4.31Å; L97-Y167 HydrophobicContact CD1-CD1 4.24Å; L97-Y167 HydrophobicContact CD1-CD2 3.62Å; L97-Y167 HydrophobicContact CD1-CE1 4.45Å; L97-Y167 HydrophobicContact CD1-CE2 3.86Å; L97-Y167 HydrophobicContact CD1-CG 3.81Å; L97-Y167 HydrophobicContact CG-CD1 4.37Å; L97-Y167 HydrophobicContact CG-CD2 4.02Å; L97-Y167 HydrophobicContact CG-CE1 4.09Å; L97-Y167 HydrophobicContact CG-CE2 3.71Å; L97-Y167 HydrophobicContact CG-CG 4.32Å; L97-Y167 PolarHBondContact N-OH 3.43Å; L97-E468 PolarHBondContact N-OE1 2.82Å
98	H	98.6	Very high	96.3	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.046	25%	0.246	C	C	.	.	H	α-helix	trans	-65.7	-49	171.9	-71.1	-62.2	0	0	0	110.4	Y52 K100 R101 F102 Y167 Q170 E468 A471 H475	Y52-H98 AromaticContact CZ-ND1 3.78Å; Y52-H98 PolarHBondContact OH-CE1 3.37Å; Y52-H98 PolarHBondContact OH-ND1 3.13Å; H98-K100 VanDerWaalsContact C-N 3.33Å; H98-K100 PolarHBondContact O-N 3.09Å; H98-R101 PolarHBondContact O-N 3.33Å; H98-R101 VanDerWaalsContact O-N 3.13Å; H98-F102 HydrophobicContact CB-CE2 3.92Å; H98-F102 HydrophobicContact CB-CZ 4.02Å; H98-F102 VanDerWaalsContact O-CD2 3.25Å; H98-F102 WeakPolarHBondContact O-CD2 3.2Å; H98-F102 WeakPolarHBondContact O-CG 3.25Å; H98-F102 PolarHBondContact O-N 2.83Å; H98-Y167 AromaticContact CD2-CE1 3.64Å; H98-Y167 AromaticContact NE2-CD1 3.94Å; H98-Y167 AromaticContact NE2-CE1 3.85Å; H98-Q170 PolarHBondContact CE1-OE1 3.08Å; H98-Q170 VanDerWaalsContact CE1-OE1 3.3Å; H98-Q170 PolarHBondContact NE2-OE1 2.53Å; H98-E468 WeakPolarHBondContact CB-OE1 3.33Å; H98-E468 IonicContact CD2-OE1 3.82Å; H98-E468 PolarHBondContact CD2-OE1 3.22Å; H98-E468 IonicContact CG-OE1 2.93Å; H98-E468 PolarHBondContact N-OE1 3.29Å; H98-A471 HydrophobicContact CB-CB 3.72Å; H98-H475 AromaticContact CE1-ND1 3.52Å
99	M	98.3	Very high	96.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-43.2	176.4	-68.4	-57.8	-64.9	0	0	112.2	I44 I92 N96 R101 F102 V103 W248 V257 M467 E468	I44-M99 HydrophobicContact CD1-CE 4.48Å; I44-M99 HydrophobicContact CD1-SD 3.86Å; I44-M99 HydrophobicContact CG1-SD 4.06Å; I92-M99 HydrophobicContact CD1-CE 3.76Å; I92-M99 HydrophobicContact CG1-CE 4.48Å; I92-M99 HydrophobicContact CG2-CB 3.75Å; I92-M99 HydrophobicContact CG2-CG 4.19Å; N96-M99 HydrophobicContact CB-CB 4.18Å; N96-M99 HydrophobicContact CB-CG 4.4Å; N96-M99 PolarHBondContact O-N 3.38Å; M99-R101 VanDerWaalsContact C-N 3.35Å; M99-R101 PolarHBondContact O-N 3.42Å; M99-F102 PolarHBondContact O-N 3.28Å; M99-F102 HydrophobicContact SD-CD2 4.13Å; M99-V103 WeakPolarHBondContact O-CG2 3.33Å; M99-V103 PolarHBondContact O-N 3.13Å; M99-W248 HydrophobicContact CB-CH2 4.25Å; M99-W248 HydrophobicContact CB-CZ2 4.38Å; M99-V257 HydrophobicContact CE-CB 4.21Å; M99-V257 HydrophobicContact CE-CG1 4.07Å; M99-V257 HydrophobicContact CE-CG2 3.86Å; M99-V257 HydrophobicContact SD-CG1 4.46Å; M99-M467 HydrophobicContact CE-SD 3.89Å; M99-M467 HydrophobicContact CG-CB 4.2Å; M99-M467 HydrophobicContact SD-CB 4.11Å; M99-E468 WeakPolarHBondContact CG-OE2 3.28Å; M99-E468 PolarHBondContact N-OE2 2.83Å; M99-E468 VanDerWaalsContact N-OE2 3.13Å
100	K	97.9	Very high	96.6	Very high	90 Å²	90	49 Å²	49	39%	0.391	27%	0.271	S	S	.	.	H	α-helix	trans	-58.7	-45.4	173.9	-79.5	-174.3	164.7	178.8	0	112.2	P94 N96 L97 H98 K104 W248	P94-K100 WeakPolarHBondContact O-CD 3.37Å; P94-K100 WeakPolarHBondContact O-CE 3.09Å; P94-K100 PolarHBondContact O-NZ 3.39Å; N96-K100 WeakPolarHBondContact O-CG 3.3Å; N96-K100 PolarHBondContact O-N 3.45Å; L97-K100 HydrophobicContact CD2-CD 4.29Å; H98-K100 VanDerWaalsContact C-N 3.33Å; H98-K100 PolarHBondContact O-N 3.09Å; K100-K104 WeakPolarHBondContact O-CB 3.48Å; K100-K104 PolarHBondContact O-N 3.42Å; K100-K104 VanDerWaalsContact O-N 3.13Å; K100-W248 HydrophobicContact CG-CH2 4.48Å; K100-W248 HydrophobicContact CG-CZ2 3.64Å
101	R	98.2	Very high	96.7	Very high	101 Å²	101	48.3 Å²	48.3	38%	0.381	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-46.6	178.4	178.6	178.7	175.3	-176.2	0.3	111.3	L97 H98 M99 V103 K104 D105	L97-R101 VanDerWaalsContact O-CB 3.26Å; L97-R101 WeakPolarHBondContact O-CB 3.45Å; L97-R101 PolarHBondContact O-N 2.94Å; H98-R101 PolarHBondContact O-N 3.33Å; H98-R101 VanDerWaalsContact O-N 3.13Å; M99-R101 VanDerWaalsContact C-N 3.35Å; M99-R101 PolarHBondContact O-N 3.42Å; R101-V103 PolarHBondContact O-N 3.42Å; R101-K104 PolarHBondContact O-N 2.93Å; R101-D105 VanDerWaalsContact CG-OD2 3.3Å; R101-D105 WeakPolarHBondContact CG-OD2 3.19Å; R101-D105 IonicContact NE-OD2 2.73Å; R101-D105 PolarHBondContact NE-OD2 3Å; R101-D105 WeakPolarHBondContact O-CB 3.36Å; R101-D105 VanDerWaalsContact O-CG 3.26Å; R101-D105 PolarHBondContact O-N 3.13Å
102	F	98.7	Very high	96.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-46.9	-179.9	-60.2	-30.8	0	0	0	111.8	I44 S48 Y51 Y52 H98 M99 K104 D105 L106 V257 L261 A471	I44-F102 HydrophobicContact CD1-CD2 4.47Å; I44-F102 HydrophobicContact CD1-CE2 4.47Å; S48-F102 VanDerWaalsContact OG-CE2 3.29Å; S48-F102 WeakPolarHBondContact OG-CE2 3.43Å; Y51-F102 HydrophobicContact CD1-CE1 4.07Å; Y51-F102 HydrophobicContact CE1-CD1 4.45Å; Y51-F102 HydrophobicContact CE1-CE1 4.18Å; Y52-F102 HydrophobicContact CE1-CE1 4.47Å; Y52-F102 HydrophobicContact CE2-CE1 4.04Å; Y52-F102 AromaticContact CE2-CZ 3.75Å; Y52-F102 HydrophobicContact CE2-CZ 3.75Å; Y52-F102 AromaticContact CZ-CE1 3.67Å; Y52-F102 AromaticContact CZ-CZ 3.81Å; Y52-F102 WeakPolarHBondContact OH-CE1 3.31Å; Y52-F102 WeakPolarHBondContact OH-CZ 3Å; H98-F102 HydrophobicContact CB-CE2 3.92Å; H98-F102 HydrophobicContact CB-CZ 4.02Å; H98-F102 VanDerWaalsContact O-CD2 3.25Å; H98-F102 WeakPolarHBondContact O-CD2 3.2Å; H98-F102 WeakPolarHBondContact O-CG 3.25Å; H98-F102 PolarHBondContact O-N 2.83Å; M99-F102 PolarHBondContact O-N 3.28Å; M99-F102 HydrophobicContact SD-CD2 4.13Å; F102-K104 VanDerWaalsContact C-N 3.3Å; F102-K104 PolarHBondContact O-N 3.15Å; F102-D105 PolarHBondContact O-N 3.35Å; F102-L106 HydrophobicContact CB-CD1 4.49Å; F102-L106 WeakPolarHBondContact O-CB 3.34Å; F102-L106 WeakPolarHBondContact O-CD1 3.37Å; F102-L106 WeakPolarHBondContact O-CG 3.46Å; F102-L106 PolarHBondContact O-N 3.22Å; F102-V257 HydrophobicContact CB-CG1 3.77Å; F102-V257 HydrophobicContact CD2-CG1 4Å; F102-V257 HydrophobicContact CG-CG1 4.29Å; F102-L261 HydrophobicContact CB-CD2 4.26Å; F102-L261 HydrophobicContact CD1-CD1 4.41Å; F102-L261 HydrophobicContact CD1-CD2 3.69Å; F102-L261 HydrophobicContact CD2-CD1 3.88Å; F102-L261 HydrophobicContact CE1-CD2 4.1Å; F102-L261 HydrophobicContact CE2-CD1 4Å; F102-L261 HydrophobicContact CG-CD1 4.08Å; F102-L261 HydrophobicContact CG-CD2 3.94Å; F102-L261 HydrophobicContact CG-CG 4.46Å; F102-L261 HydrophobicContact CZ-CD1 4.33Å; F102-A471 HydrophobicContact CE2-CB 3.84Å; F102-A471 HydrophobicContact CZ-CB 4.3Å
103	V	98.1	Very high	95.6	Very high	8 Å²	8	53.3 Å²	53.3	5%	0.048	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-44	177.5	167.1	0	0	0	0	111.2	M99 R101 G107 L108 T110 W248 V250 V257	M99-V103 WeakPolarHBondContact O-CG2 3.33Å; M99-V103 PolarHBondContact O-N 3.13Å; R101-V103 PolarHBondContact O-N 3.42Å; V103-G107 PolarHBondContact O-N 2.73Å; V103-G107 VanDerWaalsContact O-N 3.13Å; V103-L108 HydrophobicContact CB-CB 4.46Å; V103-L108 HydrophobicContact CG1-CB 3.95Å; V103-L108 WeakPolarHBondContact CG1-O 2.94Å; V103-L108 PolarHBondContact O-N 2.89Å; V103-T110 HydrophobicContact CG1-CG2 3.64Å; V103-W248 HydrophobicContact CB-CH2 4.48Å; V103-W248 HydrophobicContact CG2-CH2 3.9Å; V103-W248 HydrophobicContact CG2-CZ3 3.9Å; V103-V250 HydrophobicContact CG2-CG2 3.64Å; V103-V257 HydrophobicContact CG2-CG2 4.08Å
104	K	98.1	Very high	94.3	Very high	167 Å²	167	55 Å²	55	73%	0.726	30%	0.303	S	S	*	.	H	α-helix	trans	-62.9	-50.6	176	-177.8	-176.1	176.3	-175.3	0	112.3	K100 R101 F102 L106 G107	K100-K104 WeakPolarHBondContact O-CB 3.48Å; K100-K104 PolarHBondContact O-N 3.42Å; K100-K104 VanDerWaalsContact O-N 3.13Å; R101-K104 PolarHBondContact O-N 2.93Å; F102-K104 VanDerWaalsContact C-N 3.3Å; F102-K104 PolarHBondContact O-N 3.15Å; K104-L106 PolarHBondContact O-N 3.03Å; K104-G107 PolarHBondContact O-N 3.38Å; K104-G107 VanDerWaalsContact O-N 3.15Å
105	D	98.1	Very high	93	Very high	75 Å²	75	55.8 Å²	55.8	40%	0.401	32%	0.317	S	S	.	.	H	α-helix	trans	-66.8	-28.1	-175.7	-69.7	-7.4	0	0	0	111.7	Y51 R101 F102	Y51-D105 PolarHBondContact OH-OD2 2.9Å; Y51-D105 VanDerWaalsContact OH-OD2 3.09Å; R101-D105 VanDerWaalsContact CG-OD2 3.3Å; R101-D105 WeakPolarHBondContact CG-OD2 3.19Å; R101-D105 IonicContact NE-OD2 2.73Å; R101-D105 PolarHBondContact NE-OD2 3Å; R101-D105 WeakPolarHBondContact O-CB 3.36Å; R101-D105 VanDerWaalsContact O-CG 3.26Å; R101-D105 PolarHBondContact O-N 3.13Å; F102-D105 PolarHBondContact O-N 3.35Å
106	L	98.4	Very high	92.4	Very high	44 Å²	44	54.8 Å²	54.8	23%	0.23	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-6	176.7	-62.9	172.5	0	0	0	113.7	F102 K104 L108 V257 G260 L261 A264	F102-L106 HydrophobicContact CB-CD1 4.49Å; F102-L106 WeakPolarHBondContact O-CB 3.34Å; F102-L106 WeakPolarHBondContact O-CD1 3.37Å; F102-L106 WeakPolarHBondContact O-CG 3.46Å; F102-L106 PolarHBondContact O-N 3.22Å; K104-L106 PolarHBondContact O-N 3.03Å; L106-L108 VanDerWaalsContact C-N 3.28Å; L106-L108 HydrophobicContact CB-CD1 3.98Å; L106-L108 HydrophobicContact CB-CG 3.86Å; L106-L108 HydrophobicContact CD1-CD1 3.9Å; L106-L108 PolarHBondContact O-N 3.41Å; L106-V257 HydrophobicContact CD1-CG1 4.39Å; L106-G260 VanDerWaalsContact CD2-C 3.41Å; L106-G260 WeakPolarHBondContact CD2-O 3.48Å; L106-L261 HydrophobicContact CD1-CD2 4.31Å; L106-L261 HydrophobicContact CD1-CG 4.2Å; L106-A264 HydrophobicContact CD2-CB 3.98Å
107	G	97.9	Very high	92.1	Very high	67 Å²	67	55 Å²	55	69%	0.691	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	29	-176.8	0	0	0	0	0	113.8	V103 K104	V103-G107 PolarHBondContact O-N 2.73Å; V103-G107 VanDerWaalsContact O-N 3.13Å; K104-G107 PolarHBondContact O-N 3.38Å; K104-G107 VanDerWaalsContact O-N 3.15Å
108	L	97.3	Very high	91.9	Very high	49 Å²	49	53.4 Å²	53.4	26%	0.257	31%	0.313	S	S	.	.			trans	-82.1	150.4	178.6	-64.8	172.7	0	0	0	110.9	V103 L106 V250 L256 V257	V103-L108 HydrophobicContact CB-CB 4.46Å; V103-L108 HydrophobicContact CG1-CB 3.95Å; V103-L108 WeakPolarHBondContact CG1-O 2.94Å; V103-L108 PolarHBondContact O-N 2.89Å; L106-L108 VanDerWaalsContact C-N 3.28Å; L106-L108 HydrophobicContact CB-CD1 3.98Å; L106-L108 HydrophobicContact CB-CG 3.86Å; L106-L108 HydrophobicContact CD1-CD1 3.9Å; L106-L108 PolarHBondContact O-N 3.41Å; L108-V250 HydrophobicContact CB-CG1 4.23Å; L108-V250 HydrophobicContact CD1-CG1 4.18Å; L108-L256 HydrophobicContact CD1-CB 4.46Å; L108-L256 HydrophobicContact CD2-CB 4.46Å; L108-V257 HydrophobicContact CD1-CG2 4.11Å
109	S	95.9	Very high	91.8	Very high	65 Å²	65	53 Å²	53	46%	0.455	31%	0.311	S	S	.	.			trans	-93.9	152.6	175.4	-66.8	0	0	0	0	111.1	E251	S109-E251 WeakPolarHBondContact CB-OE2 3.47Å; S109-E251 PolarHBondContact O-N 3.34Å
110	T	94.3	Very high	91.7	Very high	73 Å²	73	53 Å²	53	45%	0.448	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147.7	179.1	60.2	0	0	0	0	111.1	V103 W248 A249	V103-T110 HydrophobicContact CG1-CG2 3.64Å; T110-W248 HydrophobicContact CG2-CD2 4.38Å; T110-W248 HydrophobicContact CG2-CE3 3.51Å; T110-W248 HydrophobicContact CG2-CZ3 3.6Å; T110-A249 CarbonylContact C-O 3.58Å; T110-A249 VanDerWaalsContact CA-O 3.27Å; T110-A249 WeakPolarHBondContact CA-O 3.37Å
111	V	91.6	Very high	91.6	Very high	16 Å²	16	50 Å²	50	10%	0.097	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.4	169.2	-63.1	0	0	0	0	109.2	W248 A249 E251 K392	V111-W248 CarbonylContact O-C 3.59Å; V111-W248 VanDerWaalsContact O-CA 3.31Å; V111-W248 WeakPolarHBondContact O-CA 3.18Å; V111-W248 WeakPolarHBondContact O-CB 3.33Å; V111-A249 HydrophobicContact CG2-CB 4.09Å; V111-A249 PolarHBondContact N-O 3.47Å; V111-A249 PolarHBondContact O-N 3.06Å; V111-E251 HydrophobicContact CG1-CB 4.02Å; V111-E251 HydrophobicContact CG1-CG 4.29Å; V111-K392 HydrophobicContact CG1-CG 4.07Å
112	Q	87	Confident	91.5	Very high	128 Å²	128	47.3 Å²	47.3	60%	0.598	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	142.1	170.2	-70	-63.2	-38	0	0	108.5	S114 L247	Q112-S114 PolarHBondContact O-N 2.89Å; Q112-L247 PolarHBondContact OE1-O 2.86Å
113	A	79.1	Confident	91.2	Very high	32 Å²	32	48.5 Å²	48.5	26%	0.264	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-64.9	124.6	172.4	0	0	0	0	0	108.1	V91 G115 L247	V91-A113 HydrophobicContact CG1-CB 3.82Å; A113-G115 PolarHBondContact O-N 3.06Å; A113-L247 HydrophobicContact CB-CB 3.87Å; A113-L247 WeakPolarHBondContact CB-O 3.12Å; A113-L247 PolarHBondContact N-O 2.75Å
114	S	67.7	Low	90.9	Very high	48 Å²	48	56.3 Å²	56.3	34%	0.336	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-55.7	127.7	-179.1	53.9	0	0	0	0	110.8	Q112	Q112-S114 PolarHBondContact O-N 2.89Å
115	G	67.2	Low	90.7	Very high	48 Å²	48	50.7 Å²	50.7	50%	0.495	32%	0.323	S	S	.	.			trans	-105.2	160.9	178.6	0	0	0	0	0	112	A113	A113-G115 PolarHBondContact O-N 3.06Å
116	G	83.1	Confident	90.5	Very high	35 Å²	35	48.3 Å²	48.3	36%	0.361	31%	0.311	S	S	.	.			trans	-172.7	173.6	172.6	0	0	0	0	0	110	L118 S368	G116-L118 PolarHBondContact O-N 3.38Å; G116-S368 WeakPolarHBondContact CA-OG 3.26Å
117	L	91	Very high	90.4	Very high	32 Å²	32	47.2 Å²	47.2	17%	0.168	31%	0.305	C	S	.	.			trans	-68	127.3	-175.8	-63.6	-177.7	0	0	0	111	E130 N132 L367 S368 T369	L117-E130 HydrophobicContact CB-CB 4.5Å; L117-E130 HydrophobicContact CD2-CB 4.05Å; L117-N132 WeakPolarHBondContact CD2-OD1 3.49Å; L117-L367 HydrophobicContact CB-CD2 3.85Å; L117-L367 CarbonylContact O-C 3.52Å; L117-L367 WeakPolarHBondContact O-CA 3.41Å; L117-S368 PolarHBondContact O-N 3.09Å; L117-T369 PolarHBondContact O-N 3Å
118	L	93.6	Very high	90.2	Very high	34 Å²	34	44.6 Å²	44.6	18%	0.178	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	140.4	176.7	169.1	65.9	0	0	0	112	G116 E130 T369 L371	G116-L118 PolarHBondContact O-N 3.38Å; L118-E130 HydrophobicContact CB-CG 4Å; L118-E130 WeakPolarHBondContact CB-OE2 3.2Å; L118-E130 PolarHBondContact N-OE2 2.94Å; L118-E130 PolarHBondContact O-N 3.13Å; L118-T369 CarbonylContact C-O 3.56Å; L118-T369 WeakPolarHBondContact CA-O 3.38Å; L118-T369 HydrophobicContact CD1-CG2 4.05Å; L118-L371 HydrophobicContact CD1-CB 4.31Å; L118-L371 HydrophobicContact CD1-CD1 3.64Å; L118-L371 HydrophobicContact CD1-CD2 4.48Å; L118-L371 HydrophobicContact CD1-CG 3.47Å; L118-L371 VanDerWaalsContact CD1-CG 3.47Å; L118-L371 HydrophobicContact CD2-CD1 4.22Å
119	G	95.5	Very high	90.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	156	161	0	0	0	0	0	112.8	F128 T369 V370 L371	G119-F128 CarbonylContact C-O 3.33Å; G119-F128 VanDerWaalsContact CA-O 3.32Å; G119-F128 WeakPolarHBondContact CA-O 3.4Å; G119-T369 PolarHBondContact N-O 3.49Å; G119-V370 WeakPolarHBondContact O-CA 3.31Å; G119-L371 PolarHBondContact O-N 2.85Å
120	I	97	Very high	89.9	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.2	177.7	-55.2	-179	0	0	0	108.7	L126 V127 F128 E215 M216 P219 L371 T373	I120-L126 CarbonylContact O-C 3.51Å; I120-L126 VanDerWaalsContact O-CA 3.25Å; I120-L126 WeakPolarHBondContact O-CA 3.5Å; I120-V127 HydrophobicContact CB-CG2 4.02Å; I120-V127 HydrophobicContact CG2-CG2 3.77Å; I120-V127 WeakPolarHBondContact O-CG2 3.19Å; I120-V127 PolarHBondContact O-N 2.96Å; I120-F128 HydrophobicContact CB-CB 4.2Å; I120-F128 HydrophobicContact CD1-CB 4.1Å; I120-F128 HydrophobicContact CD1-CD1 4.18Å; I120-F128 HydrophobicContact CD1-CG 4.49Å; I120-F128 HydrophobicContact CG1-CB 4.22Å; I120-F128 HydrophobicContact CG1-CD1 4.4Å; I120-F128 PolarHBondContact N-O 3.12Å; I120-E215 WeakPolarHBondContact CD1-O 3.19Å; I120-E215 WeakPolarHBondContact CG2-O 3.35Å; I120-M216 HydrophobicContact CD1-CE 4.01Å; I120-M216 HydrophobicContact CD1-SD 3.63Å; I120-P219 HydrophobicContact CD1-CG 4.42Å; I120-P219 HydrophobicContact CG2-CB 4.24Å; I120-P219 HydrophobicContact CG2-CG 3.63Å; I120-L371 WeakPolarHBondContact CA-O 3.3Å; I120-T373 HydrophobicContact CG2-CG2 3.87Å
121	Y	96.8	Very high	89.7	Confident	26 Å²	26	42.3 Å²	42.3	10%	0.102	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.7	-176.6	-176.1	-111.4	0	0	0	111.1	G123 A125 L126 I356 F357 L371 T372 T373 L378	Y121-G123 PolarHBondContact OH-O 3.38Å; Y121-A125 WeakPolarHBondContact CD2-O 3.43Å; Y121-L126 HydrophobicContact CD2-CD2 4.42Å; Y121-I356 PolarHBondContact OH-O 2.93Å; Y121-F357 AromaticContact CD1-CD1 3.92Å; Y121-F357 HydrophobicContact CD1-CD1 3.92Å; Y121-F357 HydrophobicContact CD1-CE1 4.25Å; Y121-F357 HydrophobicContact CD2-CB 4.41Å; Y121-F357 HydrophobicContact CD2-CD1 4.09Å; Y121-F357 HydrophobicContact CE1-CD1 4.31Å; Y121-F357 HydrophobicContact CE2-CD1 4.48Å; Y121-F357 AromaticContact CG-CD1 3.8Å; Y121-F357 HydrophobicContact CG-CD1 3.8Å; Y121-F357 HydrophobicContact CG-CE1 4.47Å; Y121-L371 PolarHBondContact N-O 3.24Å; Y121-T372 WeakPolarHBondContact O-CA 3.45Å; Y121-T373 PolarHBondContact O-N 3.32Å; Y121-L378 HydrophobicContact CD1-CD1 4.48Å; Y121-L378 HydrophobicContact CD1-CD2 4.22Å; Y121-L378 HydrophobicContact CE1-CD2 3.97Å
122	N	95	Very high	89.5	Confident	45 Å²	45	48.1 Å²	48.1	24%	0.241	28%	0.284	C	S	.	.			trans	-96.7	-1.5	-177.8	75	-16	0	0	0	115	E124 A125 V127 T373 N375	N122-E124 PolarHBondContact OD1-N 3.14Å; N122-A125 PolarHBondContact N-O 2.88Å; N122-A125 VanDerWaalsContact N-O 3.12Å; N122-A125 PolarHBondContact OD1-N 3.4Å; N122-A125 PolarHBondContact OD1-O 3.24Å; N122-V127 HydrophobicContact CB-CG1 3.85Å; N122-T373 VanDerWaalsContact CA-OG1 3.29Å; N122-T373 WeakPolarHBondContact CA-OG1 3.42Å; N122-T373 HydrophobicContact CB-CG2 3.98Å; N122-N375 PolarHBondContact O-ND2 3.02Å
123	G	93.4	Very high	89.7	Confident	24 Å²	24	50.7 Å²	50.7	25%	0.247	29%	0.289	C	S	.	.	S	Bend	trans	107.9	-17.1	-171.4	0	0	0	0	0	114.5	Y121	Y121-G123 PolarHBondContact OH-O 3.38Å
124	E	92.1	Very high	90.1	Very high	172 Å²	172	56.8 Å²	56.8	80%	0.804	31%	0.309	S	S	*	.	S	Bend	trans	-124.6	-42.4	179.5	-60.1	179.7	169.5	0	0	112	N122	N122-E124 PolarHBondContact OD1-N 3.14Å
125	A	92.9	Very high	91.3	Very high	49 Å²	49	60.1 Å²	60.1	41%	0.405	32%	0.322	S	S	.	.	S	Bend	trans	-150.1	164.3	-176.8	0	0	0	0	0	112.2	Y121 N122 V127	Y121-A125 WeakPolarHBondContact CD2-O 3.43Å; N122-A125 PolarHBondContact N-O 2.88Å; N122-A125 VanDerWaalsContact N-O 3.12Å; N122-A125 PolarHBondContact OD1-N 3.4Å; N122-A125 PolarHBondContact OD1-O 3.24Å; A125-V127 PolarHBondContact O-N 3.07Å
126	L	94.6	Very high	92.5	Very high	26 Å²	26	61.3 Å²	61.3	14%	0.136	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	109.8	166.7	-68.3	165.9	0	0	0	109.1	I120 Y121 E129 F365 L367 V370	I120-L126 CarbonylContact O-C 3.51Å; I120-L126 VanDerWaalsContact O-CA 3.25Å; I120-L126 WeakPolarHBondContact O-CA 3.5Å; Y121-L126 HydrophobicContact CD2-CD2 4.42Å; L126-E129 HydrophobicContact CB-CG 3.82Å; L126-E129 HydrophobicContact CD1-CG 4.04Å; L126-E129 HydrophobicContact CG-CG 4.4Å; L126-F365 HydrophobicContact CD1-CE2 4.33Å; L126-L367 HydrophobicContact CD1-CD1 3.85Å; L126-L367 HydrophobicContact CD2-CD1 4.18Å; L126-V370 HydrophobicContact CD2-CG1 4.44Å
127	V	95.1	Very high	92.9	Very high	20 Å²	20	60.7 Å²	60.7	12%	0.121	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-22.7	-179.3	-66.1	0	0	0	0	112.6	I120 N122 A125 R144 E215 T373	I120-V127 HydrophobicContact CB-CG2 4.02Å; I120-V127 HydrophobicContact CG2-CG2 3.77Å; I120-V127 WeakPolarHBondContact O-CG2 3.19Å; I120-V127 PolarHBondContact O-N 2.96Å; N122-V127 HydrophobicContact CB-CG1 3.85Å; A125-V127 PolarHBondContact O-N 3.07Å; V127-R144 VanDerWaalsContact O-CZ 3.27Å; V127-R144 PolarHBondContact O-NE 3.32Å; V127-E215 HydrophobicContact CB-CG 4.36Å; V127-E215 HydrophobicContact CG2-CB 4.17Å; V127-E215 HydrophobicContact CG2-CG 4.04Å; V127-T373 HydrophobicContact CG2-CG2 4.47Å
128	F	95.1	Very high	93	Very high	13 Å²	13	62 Å²	62	6%	0.057	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	144.6	173.2	-177	-98.9	0	0	0	110.2	G119 I120 E130 K140 L141 Y145 M216	G119-F128 CarbonylContact C-O 3.33Å; G119-F128 VanDerWaalsContact CA-O 3.32Å; G119-F128 WeakPolarHBondContact CA-O 3.4Å; I120-F128 HydrophobicContact CB-CB 4.2Å; I120-F128 HydrophobicContact CD1-CB 4.1Å; I120-F128 HydrophobicContact CD1-CD1 4.18Å; I120-F128 HydrophobicContact CD1-CG 4.49Å; I120-F128 HydrophobicContact CG1-CB 4.22Å; I120-F128 HydrophobicContact CG1-CD1 4.4Å; I120-F128 PolarHBondContact N-O 3.12Å; F128-E130 HydrophobicContact CE1-CG 3.78Å; F128-E130 HydrophobicContact CZ-CG 4.4Å; F128-K140 HydrophobicContact CE2-CB 4.27Å; F128-L141 HydrophobicContact CD2-CD2 4.32Å; F128-L141 HydrophobicContact CE2-CD2 3.47Å; F128-L141 VanDerWaalsContact CE2-CD2 3.47Å; F128-L141 HydrophobicContact CE2-CG 3.95Å; F128-L141 HydrophobicContact CZ-CD2 3.62Å; F128-L141 HydrophobicContact CZ-CG 4.01Å; F128-Y145 HydrophobicContact CD2-CE2 4.11Å; F128-M216 HydrophobicContact CB-SD 4.39Å; F128-M216 HydrophobicContact CD1-CE 4.45Å; F128-M216 HydrophobicContact CD1-SD 4.34Å; F128-M216 HydrophobicContact CD2-SD 4.47Å; F128-M216 HydrophobicContact CG-SD 4.14Å
129	E	93.6	Very high	93.1	Very high	47 Å²	47	65.4 Å²	65.4	22%	0.22	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	131.7	177.1	-62	-178.1	-113.5	0	0	109.4	L126 K140 R360	L126-E129 HydrophobicContact CB-CG 3.82Å; L126-E129 HydrophobicContact CD1-CG 4.04Å; L126-E129 HydrophobicContact CG-CG 4.4Å; E129-K140 PolarHBondContact O-NZ 2.8Å; E129-R360 IonicContact OE1-CZ 3.88Å; E129-R360 IonicContact OE1-NH1 3.57Å; E129-R360 PolarHBondContact OE1-NH1 3.37Å; E129-R360 IonicContact OE1-NH2 3.99Å; E129-R360 IonicContact OE2-CZ 3.98Å; E129-R360 IonicContact OE2-NH1 3.71Å; E129-R360 PolarHBondContact OE2-NH1 2.96Å; E129-R360 IonicContact OE2-NH2 3.11Å; E129-R360 PolarHBondContact OE2-NH2 3.46Å
130	E	92.1	Very high	93	Very high	66 Å²	66	69.1 Å²	69.1	31%	0.308	35%	0.347	S	S	.	.			trans	-72.2	160.2	170.8	-67.6	-171.1	146.2	0	0	111.9	L117 L118 F128	L117-E130 HydrophobicContact CB-CB 4.5Å; L117-E130 HydrophobicContact CD2-CB 4.05Å; L118-E130 HydrophobicContact CB-CG 4Å; L118-E130 WeakPolarHBondContact CB-OE2 3.2Å; L118-E130 PolarHBondContact N-OE2 2.94Å; L118-E130 PolarHBondContact O-N 3.13Å; F128-E130 HydrophobicContact CE1-CG 3.78Å; F128-E130 HydrophobicContact CZ-CG 4.4Å
131	S	90.3	Very high	92.9	Very high	26 Å²	26	70.8 Å²	70.8	18%	0.182	36%	0.356	C	S	.	.			trans	-125.1	152.8	173.6	-176.1	0	0	0	0	108.3	W133 N137	S131-W133 PolarHBondContact O-N 3.23Å; S131-W133 PolarHBondContact OG-N 3.25Å; S131-N137 WeakPolarHBondContact CA-OD1 3.36Å; S131-N137 WeakPolarHBondContact CB-OD1 3.47Å; S131-N137 PolarHBondContact N-OD1 3.3Å; S131-N137 PolarHBondContact O-ND2 2.95Å; S131-N137 PolarHBondContact O-OD1 3.49Å
132	N	88.4	Confident	92.9	Very high	137 Å²	137	72.4 Å²	72.4	73%	0.733	37%	0.369	S	S	*	.	S	Bend	trans	-58.7	-18.3	171.1	-66.8	-39.8	0	0	0	113	L117	L117-N132 WeakPolarHBondContact CD2-OD1 3.49Å
133	W	89.8	Confident	92.9	Very high	183 Å²	183	81 Å²	81	69%	0.693	40%	0.398	S	S	*	.			trans	-97	109.9	179.3	-62	78.2	0	0	0	110.6	S131 I135 I136 N137	S131-W133 PolarHBondContact O-N 3.23Å; S131-W133 PolarHBondContact OG-N 3.25Å; W133-I135 PolarHBondContact O-N 2.81Å; W133-I135 VanDerWaalsContact O-N 3.17Å; W133-I136 HydrophobicContact CB-CB 4.02Å; W133-I136 HydrophobicContact CB-CD1 3.67Å; W133-I136 HydrophobicContact CB-CG1 3.66Å; W133-I136 HydrophobicContact CG-CD1 3.89Å; W133-I136 HydrophobicContact CG-CG1 4.38Å; W133-I136 WeakPolarHBondContact O-CA 3.44Å; W133-I136 WeakPolarHBondContact O-CB 3.14Å; W133-I136 PolarHBondContact O-N 2.65Å; W133-N137 PolarHBondContact O-N 3.33Å
134	F	88.1	Confident	93.1	Very high	159 Å²	159	84.1 Å²	84.1	70%	0.697	40%	0.402	S	S	*	.	H	α-helix	trans	-48.3	-45.3	177	175.4	-99.4	0	0	0	113.1	I136 N137 V138	F134-I136 VanDerWaalsContact C-N 3.29Å; F134-I136 PolarHBondContact O-N 3.12Å; F134-N137 WeakPolarHBondContact O-CB 3.48Å; F134-N137 PolarHBondContact O-N 3.06Å; F134-N137 VanDerWaalsContact O-N 3.07Å; F134-V138 HydrophobicContact CD1-CG2 4.17Å; F134-V138 HydrophobicContact CE1-CG2 3.67Å; F134-V138 HydrophobicContact CE2-CG2 4.24Å; F134-V138 HydrophobicContact CZ-CG2 3.71Å; F134-V138 WeakPolarHBondContact O-CG2 3.29Å; F134-V138 PolarHBondContact O-N 2.98Å
135	I	92	Very high	93.3	Very high	119 Å²	119	76.2 Å²	76.2	61%	0.61	37%	0.365	S	S	*	.	H	α-helix	trans	-62.6	-36.1	-179.7	-62.4	169.5	0	0	0	111.5	W133 N137 V138 I139	W133-I135 PolarHBondContact O-N 2.81Å; W133-I135 VanDerWaalsContact O-N 3.17Å; I135-N137 VanDerWaalsContact C-N 3.33Å; I135-V138 PolarHBondContact O-N 2.9Å; I135-I139 HydrophobicContact CG2-CD1 3.97Å; I135-I139 HydrophobicContact CG2-CG1 4.5Å; I135-I139 WeakPolarHBondContact O-CG1 3.25Å; I135-I139 PolarHBondContact O-N 2.93Å
136	I	93.3	Very high	93.4	Very high	73 Å²	73	75.3 Å²	75.3	37%	0.374	36%	0.361	S	S	.	.	H	α-helix	trans	-65.7	-40.1	176.2	-63.2	-177.2	0	0	0	110	W133 F134 I139 K140	W133-I136 HydrophobicContact CB-CB 4.02Å; W133-I136 HydrophobicContact CB-CD1 3.67Å; W133-I136 HydrophobicContact CB-CG1 3.66Å; W133-I136 HydrophobicContact CG-CD1 3.89Å; W133-I136 HydrophobicContact CG-CG1 4.38Å; W133-I136 WeakPolarHBondContact O-CA 3.44Å; W133-I136 WeakPolarHBondContact O-CB 3.14Å; W133-I136 PolarHBondContact O-N 2.65Å; F134-I136 VanDerWaalsContact C-N 3.29Å; F134-I136 PolarHBondContact O-N 3.12Å; I136-I139 PolarHBondContact O-N 3.02Å; I136-K140 HydrophobicContact CG2-CD 4.14Å; I136-K140 HydrophobicContact CG2-CG 4.36Å; I136-K140 WeakPolarHBondContact O-CB 3.3Å; I136-K140 WeakPolarHBondContact O-CG 3.23Å; I136-K140 PolarHBondContact O-N 3.18Å
137	N	92.2	Very high	93.5	Very high	21 Å²	21	80.9 Å²	80.9	11%	0.112	38%	0.384	C	S	.	.	H	α-helix	trans	-63	-44.9	176.4	-61	-23.4	0	0	0	111.1	S131 W133 F134 I135 I139 K140 L141	S131-N137 WeakPolarHBondContact CA-OD1 3.36Å; S131-N137 WeakPolarHBondContact CB-OD1 3.47Å; S131-N137 PolarHBondContact N-OD1 3.3Å; S131-N137 PolarHBondContact O-ND2 2.95Å; S131-N137 PolarHBondContact O-OD1 3.49Å; W133-N137 PolarHBondContact O-N 3.33Å; F134-N137 WeakPolarHBondContact O-CB 3.48Å; F134-N137 PolarHBondContact O-N 3.06Å; F134-N137 VanDerWaalsContact O-N 3.07Å; I135-N137 VanDerWaalsContact C-N 3.33Å; N137-I139 PolarHBondContact O-N 3.38Å; N137-K140 PolarHBondContact O-N 2.83Å; N137-L141 WeakPolarHBondContact O-CB 3.12Å; N137-L141 VanDerWaalsContact O-CG 3.27Å; N137-L141 WeakPolarHBondContact O-CG 3.44Å; N137-L141 PolarHBondContact O-N 3.3Å
138	V	92.4	Very high	93.5	Very high	61 Å²	61	81.1 Å²	81.1	37%	0.37	38%	0.384	S	S	.	.	H	α-helix	trans	-58.4	-47.6	175.5	175.1	0	0	0	0	111.1	F134 I135 K140 L141 V142	F134-V138 HydrophobicContact CD1-CG2 4.17Å; F134-V138 HydrophobicContact CE1-CG2 3.67Å; F134-V138 HydrophobicContact CE2-CG2 4.24Å; F134-V138 HydrophobicContact CZ-CG2 3.71Å; F134-V138 WeakPolarHBondContact O-CG2 3.29Å; F134-V138 PolarHBondContact O-N 2.98Å; I135-V138 PolarHBondContact O-N 2.9Å; V138-K140 PolarHBondContact O-N 2.85Å; V138-L141 PolarHBondContact O-N 3.49Å; V138-V142 HydrophobicContact CG1-CG2 4.39Å; V138-V142 WeakPolarHBondContact O-CB 3.48Å; V138-V142 WeakPolarHBondContact O-CG2 3.41Å; V138-V142 PolarHBondContact O-N 3.38Å
139	I	94.9	Very high	93.4	Very high	105 Å²	105	82.1 Å²	82.1	54%	0.538	39%	0.392	S	S	.	.	H	α-helix	trans	-61.5	-45.9	178	-68	167.2	0	0	0	110.9	I135 I136 N137 L141 V142 W143	I135-I139 HydrophobicContact CG2-CD1 3.97Å; I135-I139 HydrophobicContact CG2-CG1 4.5Å; I135-I139 WeakPolarHBondContact O-CG1 3.25Å; I135-I139 PolarHBondContact O-N 2.93Å; I136-I139 PolarHBondContact O-N 3.02Å; N137-I139 PolarHBondContact O-N 3.38Å; I139-L141 VanDerWaalsContact C-N 3.35Å; I139-L141 PolarHBondContact O-N 3.43Å; I139-V142 PolarHBondContact O-N 2.72Å; I139-W143 WeakPolarHBondContact O-CB 3.27Å; I139-W143 PolarHBondContact O-N 3.13Å
140	K	94.1	Very high	93.4	Very high	77 Å²	77	84.4 Å²	84.4	34%	0.335	41%	0.405	S	S	.	.	H	α-helix	trans	-58.2	-46.1	177.5	-77.6	174.6	170.4	-177.8	0	111.7	F128 E129 I136 N137 V138 R144	F128-K140 HydrophobicContact CE2-CB 4.27Å; E129-K140 PolarHBondContact O-NZ 2.8Å; I136-K140 HydrophobicContact CG2-CD 4.14Å; I136-K140 HydrophobicContact CG2-CG 4.36Å; I136-K140 WeakPolarHBondContact O-CB 3.3Å; I136-K140 WeakPolarHBondContact O-CG 3.23Å; I136-K140 PolarHBondContact O-N 3.18Å; N137-K140 PolarHBondContact O-N 2.83Å; V138-K140 PolarHBondContact O-N 2.85Å; K140-R144 VanDerWaalsContact O-CB 3.23Å; K140-R144 WeakPolarHBondContact O-CB 3.24Å; K140-R144 PolarHBondContact O-N 2.97Å
141	L	94.8	Very high	93.6	Very high	37 Å²	37	86.4 Å²	86.4	19%	0.194	41%	0.41	C	S	.	.	H	α-helix	trans	-64	-48.4	179.5	-71.3	170.6	0	0	0	111.3	F128 N137 V138 I139 R144 Y145 M216	F128-L141 HydrophobicContact CD2-CD2 4.32Å; F128-L141 HydrophobicContact CE2-CD2 3.47Å; F128-L141 VanDerWaalsContact CE2-CD2 3.47Å; F128-L141 HydrophobicContact CE2-CG 3.95Å; F128-L141 HydrophobicContact CZ-CD2 3.62Å; F128-L141 HydrophobicContact CZ-CG 4.01Å; N137-L141 WeakPolarHBondContact O-CB 3.12Å; N137-L141 VanDerWaalsContact O-CG 3.27Å; N137-L141 WeakPolarHBondContact O-CG 3.44Å; N137-L141 PolarHBondContact O-N 3.3Å; V138-L141 PolarHBondContact O-N 3.49Å; I139-L141 VanDerWaalsContact C-N 3.35Å; I139-L141 PolarHBondContact O-N 3.43Å; L141-R144 PolarHBondContact O-N 3.31Å; L141-Y145 HydrophobicContact CD2-CD2 3.91Å; L141-Y145 HydrophobicContact CD2-CE2 4.01Å; L141-Y145 WeakPolarHBondContact O-CA 3.29Å; L141-Y145 WeakPolarHBondContact O-CB 3.11Å; L141-Y145 PolarHBondContact O-N 3.2Å; L141-M216 HydrophobicContact CD2-CE 4.31Å
142	V	96.3	Very high	93.9	Very high	60 Å²	60	85.8 Å²	85.8	36%	0.364	41%	0.405	S	S	.	.	H	α-helix	trans	-65.2	-41.6	178.9	174.2	0	0	0	0	111.5	V138 I139 G146	V138-V142 HydrophobicContact CG1-CG2 4.39Å; V138-V142 WeakPolarHBondContact O-CB 3.48Å; V138-V142 WeakPolarHBondContact O-CG2 3.41Å; V138-V142 PolarHBondContact O-N 3.38Å; I139-V142 PolarHBondContact O-N 2.72Å; V142-G146 WeakPolarHBondContact CA-O 3.39Å; V142-G146 WeakPolarHBondContact O-CA 3.38Å; V142-G146 PolarHBondContact O-N 3.13Å
143	W	96.3	Very high	94.1	Very high	226 Å²	226	83.3 Å²	83.3	86%	0.856	39%	0.389	S	S	*	.	H	α-helix	trans	-64.6	-43.1	178.5	-175.8	-88.3	0	0	0	112.2	I139	I139-W143 WeakPolarHBondContact O-CB 3.27Å; I139-W143 PolarHBondContact O-N 3.13Å
144	R	95.9	Very high	94.4	Very high	89 Å²	89	80.4 Å²	80.4	34%	0.336	38%	0.384	S	S	.	.	H	α-helix	trans	-84.5	-34.7	-174	-168.5	173.5	-179.6	91.4	1.9	113.4	V127 K140 L141 K211 E215	V127-R144 VanDerWaalsContact O-CZ 3.27Å; V127-R144 PolarHBondContact O-NE 3.32Å; K140-R144 VanDerWaalsContact O-CB 3.23Å; K140-R144 WeakPolarHBondContact O-CB 3.24Å; K140-R144 PolarHBondContact O-N 2.97Å; L141-R144 PolarHBondContact O-N 3.31Å; R144-K211 VanDerWaalsContact NH2-CE 3.3Å; R144-E215 IonicContact CZ-OE1 3.43Å; R144-E215 IonicContact CZ-OE2 3.77Å; R144-E215 IonicContact NE-OE2 2.72Å; R144-E215 PolarHBondContact NE-OE2 3.31Å; R144-E215 IonicContact NH2-OE1 2.65Å; R144-E215 PolarHBondContact NH2-OE1 3.25Å; R144-E215 IonicContact NH2-OE2 2.73Å; R144-E215 PolarHBondContact NH2-OE2 2.9Å
145	Y	96.6	Very high	94.7	Very high	7 Å²	7	75.2 Å²	75.2	3%	0.027	36%	0.36	C	S	.	.	H	α-helix	trans	-126.9	-2.8	-169.7	-49.9	-63.9	0	0	0	113.9	F128 L141 Q148 K211 F212 E215 M216	F128-Y145 HydrophobicContact CD2-CE2 4.11Å; L141-Y145 HydrophobicContact CD2-CD2 3.91Å; L141-Y145 HydrophobicContact CD2-CE2 4.01Å; L141-Y145 WeakPolarHBondContact O-CA 3.29Å; L141-Y145 WeakPolarHBondContact O-CB 3.11Å; L141-Y145 PolarHBondContact O-N 3.2Å; Y145-Q148 WeakPolarHBondContact O-CB 3.42Å; Y145-Q148 VanDerWaalsContact O-CG 3.23Å; Y145-Q148 WeakPolarHBondContact O-CG 3.49Å; Y145-Q148 PolarHBondContact O-NE2 2.93Å; Y145-K211 HydrophobicContact CE1-CG 4.3Å; Y145-F212 HydrophobicContact CD1-CB 4.14Å; Y145-F212 AromaticContact CD1-CD2 3.92Å; Y145-F212 HydrophobicContact CD1-CD2 3.92Å; Y145-F212 HydrophobicContact CD2-CD2 4.18Å; Y145-F212 AromaticContact CG-CD2 3.71Å; Y145-F212 HydrophobicContact CG-CD2 3.71Å; Y145-F212 HydrophobicContact CG-CE2 4.45Å; Y145-E215 HydrophobicContact CE1-CB 4.14Å; Y145-E215 VanDerWaalsContact CE1-OE2 3.27Å; Y145-E215 WeakPolarHBondContact CE1-OE2 3.31Å; Y145-E215 WeakPolarHBondContact OH-CB 3.47Å; Y145-E215 PolarHBondContact OH-OE2 3.24Å; Y145-M216 HydrophobicContact CD2-CG 4.25Å; Y145-M216 HydrophobicContact CE1-CG 4.25Å; Y145-M216 HydrophobicContact CE2-CG 3.7Å; Y145-M216 HydrophobicContact CE2-SD 3.62Å
146	G	96.1	Very high	94.9	Very high	30 Å²	30	69.7 Å²	69.7	31%	0.309	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	-150	-170.8	0	0	0	0	0	111.6	V142 Q148	V142-G146 WeakPolarHBondContact CA-O 3.39Å; V142-G146 WeakPolarHBondContact O-CA 3.38Å; V142-G146 PolarHBondContact O-N 3.13Å; G146-Q148 PolarHBondContact O-N 2.98Å; G146-Q148 VanDerWaalsContact O-N 3.11Å
147	F	95.5	Very high	94.9	Very high	143 Å²	143	70 Å²	70	63%	0.627	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	17.4	178.1	-66.8	-78.3	0	0	0	114	S149 L150 R151	F147-S149 PolarHBondContact O-N 2.84Å; F147-L150 HydrophobicContact CD1-CD2 4.41Å; F147-L150 PolarHBondContact O-N 3.41Å; F147-R151 WeakPolarHBondContact O-CG 2.9Å; F147-R151 PolarHBondContact O-N 2.92Å
148	Q	96.6	Very high	95.1	Very high	25 Å²	25	72.8 Å²	72.8	12%	0.117	35%	0.346	C	S	.	.	H	α-helix	trans	-64.5	-37.5	-177	-73.7	-178	71.5	0	0	113	Y145 G146 L150 R151 M152 F208 S209 F212	Y145-Q148 WeakPolarHBondContact O-CB 3.42Å; Y145-Q148 VanDerWaalsContact O-CG 3.23Å; Y145-Q148 WeakPolarHBondContact O-CG 3.49Å; Y145-Q148 PolarHBondContact O-NE2 2.93Å; G146-Q148 PolarHBondContact O-N 2.98Å; G146-Q148 VanDerWaalsContact O-N 3.11Å; Q148-L150 VanDerWaalsContact C-N 3.33Å; Q148-L150 PolarHBondContact O-N 2.89Å; Q148-R151 PolarHBondContact O-N 3.1Å; Q148-M152 WeakPolarHBondContact O-CB 3.14Å; Q148-M152 PolarHBondContact O-N 2.64Å; Q148-F208 HydrophobicContact CB-CD1 4.19Å; Q148-F208 HydrophobicContact CB-CE1 4.39Å; Q148-F208 HydrophobicContact CG-CD1 4.25Å; Q148-F208 WeakPolarHBondContact O-CE1 3.32Å; Q148-S209 PolarHBondContact NE2-OG 3.45Å; Q148-S209 PolarHBondContact OE1-OG 3.41Å; Q148-F212 HydrophobicContact CB-CD1 4.09Å; Q148-F212 HydrophobicContact CB-CD2 3.9Å; Q148-F212 HydrophobicContact CB-CE1 4.24Å; Q148-F212 HydrophobicContact CB-CE2 4.06Å; Q148-F212 HydrophobicContact CB-CG 3.91Å; Q148-F212 HydrophobicContact CB-CZ 4.23Å
149	S	92.9	Very high	95.3	Very high	34 Å²	34	70.3 Å²	70.3	24%	0.238	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-41.2	174.7	-56	0	0	0	0	112.5	F147 M152 H153	F147-S149 PolarHBondContact O-N 2.84Å; S149-M152 WeakPolarHBondContact O-CB 3.5Å; S149-M152 PolarHBondContact O-N 3.27Å; S149-H153 PolarHBondContact O-N 3.5Å
150	L	93.1	Very high	95.2	Very high	94 Å²	94	66.2 Å²	66.2	49%	0.492	31%	0.311	S	S	.	.	H	α-helix	trans	-66.5	-45	176.3	178.5	62.6	0	0	0	111.3	F147 Q148 M152 H153 M154	F147-L150 HydrophobicContact CD1-CD2 4.41Å; F147-L150 PolarHBondContact O-N 3.41Å; Q148-L150 VanDerWaalsContact C-N 3.33Å; Q148-L150 PolarHBondContact O-N 2.89Å; L150-M152 PolarHBondContact O-N 3.49Å; L150-H153 PolarHBondContact O-N 2.97Å; L150-M154 HydrophobicContact CG-SD 4.35Å; L150-M154 WeakPolarHBondContact O-CG 3.41Å; L150-M154 PolarHBondContact O-N 3Å
151	R	95.9	Very high	95.3	Very high	108 Å²	108	67.4 Å²	67.4	41%	0.408	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-36.2	175.7	-68.1	174.6	70.1	-154.4	-2.1	111.8	F147 Q148 W155 A206 G207 F208	F147-R151 WeakPolarHBondContact O-CG 2.9Å; F147-R151 PolarHBondContact O-N 2.92Å; Q148-R151 PolarHBondContact O-N 3.1Å; R151-W155 WeakPolarHBondContact O-CB 3.14Å; R151-W155 PolarHBondContact O-N 3.06Å; R151-A206 PolarHBondContact NH2-O 3.27Å; R151-G207 PolarHBondContact NH1-O 2.92Å; R151-F208 HydrophobicContact CB-CE1 4.05Å; R151-F208 HydrophobicContact CB-CZ 3.97Å
152	M	96.2	Very high	95.3	Very high	13 Å²	13	67.1 Å²	67.1	6%	0.064	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-48.4	176.2	-176.2	51.7	67.2	0	0	111	Q148 S149 L150 M154 W155 V156 L203 F208 F212 I217 L240	Q148-M152 WeakPolarHBondContact O-CB 3.14Å; Q148-M152 PolarHBondContact O-N 2.64Å; S149-M152 WeakPolarHBondContact O-CB 3.5Å; S149-M152 PolarHBondContact O-N 3.27Å; L150-M152 PolarHBondContact O-N 3.49Å; M152-M154 VanDerWaalsContact C-N 3.35Å; M152-M154 PolarHBondContact O-N 2.89Å; M152-W155 WeakPolarHBondContact O-CB 3.31Å; M152-W155 PolarHBondContact O-N 2.88Å; M152-W155 VanDerWaalsContact O-N 3.12Å; M152-W155 HydrophobicContact SD-CE3 3.83Å; M152-W155 HydrophobicContact SD-CZ3 4.41Å; M152-V156 WeakPolarHBondContact O-CG2 3.36Å; M152-V156 PolarHBondContact O-N 3.37Å; M152-V156 HydrophobicContact SD-CG2 4.31Å; M152-L203 HydrophobicContact CE-CD1 3.55Å; M152-L203 HydrophobicContact CE-CD2 3.79Å; M152-L203 HydrophobicContact CE-CG 4.27Å; M152-F208 HydrophobicContact CB-CE1 4.02Å; M152-F208 HydrophobicContact CB-CZ 4.32Å; M152-F208 HydrophobicContact CE-CD1 4.04Å; M152-F208 HydrophobicContact CE-CD2 4.46Å; M152-F208 HydrophobicContact CE-CE1 3.65Å; M152-F208 HydrophobicContact CE-CE2 4.11Å; M152-F208 HydrophobicContact CE-CG 4.43Å; M152-F208 HydrophobicContact CE-CZ 3.68Å; M152-F212 HydrophobicContact CB-CE1 4.12Å; M152-F212 HydrophobicContact CB-CZ 4.03Å; M152-F212 HydrophobicContact CE-CE1 3.92Å; M152-F212 HydrophobicContact CG-CE1 4.4Å; M152-F212 HydrophobicContact CG-CZ 4.44Å; M152-I217 HydrophobicContact CE-CD1 3.65Å; M152-I217 HydrophobicContact CE-CG1 4.14Å; M152-I217 HydrophobicContact CG-CD1 4.12Å; M152-I217 HydrophobicContact SD-CD1 4.24Å; M152-L240 HydrophobicContact CE-CD1 4.43Å; M152-L240 HydrophobicContact SD-CD1 3.6Å; M152-L240 VanDerWaalsContact SD-CD1 3.6Å
153	H	93.1	Very high	95.4	Very high	86 Å²	86	65.3 Å²	65.3	40%	0.398	31%	0.305	S	S	.	.	H	α-helix	trans	-58	-46.3	175.6	178.1	65.8	0	0	0	111.7	S149 L150 W155 V156 E157 D244	S149-H153 PolarHBondContact O-N 3.5Å; L150-H153 PolarHBondContact O-N 2.97Å; H153-W155 VanDerWaalsContact C-N 3.28Å; H153-W155 PolarHBondContact O-N 3.42Å; H153-V156 PolarHBondContact O-N 2.95Å; H153-E157 IonicContact CE1-OE1 3.41Å; H153-E157 WeakPolarHBondContact O-CB 3.44Å; H153-E157 WeakPolarHBondContact O-CG 3.27Å; H153-E157 PolarHBondContact O-N 2.9Å; H153-D244 IonicContact ND1-OD1 2.81Å
154	M	95.1	Very high	95.3	Very high	122 Å²	122	56.9 Å²	56.9	60%	0.601	28%	0.276	S	S	*	.	H	α-helix	trans	-59.9	-36.7	175.4	-67.6	174.8	69.2	0	0	113.3	L150 M152 D158	L150-M154 HydrophobicContact CG-SD 4.35Å; L150-M154 WeakPolarHBondContact O-CG 3.41Å; L150-M154 PolarHBondContact O-N 3Å; M152-M154 VanDerWaalsContact C-N 3.35Å; M152-M154 PolarHBondContact O-N 2.89Å; M154-D158 PolarHBondContact O-N 2.93Å; M154-D158 VanDerWaalsContact O-N 3.11Å
155	W	95.9	Very high	95.4	Very high	49 Å²	49	55 Å²	55	19%	0.186	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-42.6	177.9	179.5	79.9	0	0	0	111.8	R151 M152 H153 D158 V159 M194 L199 T202 L203 A237 L240	R151-W155 WeakPolarHBondContact O-CB 3.14Å; R151-W155 PolarHBondContact O-N 3.06Å; M152-W155 WeakPolarHBondContact O-CB 3.31Å; M152-W155 PolarHBondContact O-N 2.88Å; M152-W155 VanDerWaalsContact O-N 3.12Å; M152-W155 HydrophobicContact SD-CE3 3.83Å; M152-W155 HydrophobicContact SD-CZ3 4.41Å; H153-W155 VanDerWaalsContact C-N 3.28Å; H153-W155 PolarHBondContact O-N 3.42Å; W155-D158 PolarHBondContact O-N 2.94Å; W155-V159 WeakPolarHBondContact O-CG2 3.17Å; W155-V159 PolarHBondContact O-N 2.85Å; W155-M194 HydrophobicContact CH2-CE 3.98Å; W155-M194 HydrophobicContact CZ2-CE 3.78Å; W155-L199 HydrophobicContact CH2-CD1 3.89Å; W155-L199 HydrophobicContact CZ3-CD1 4.4Å; W155-T202 HydrophobicContact CZ2-CG2 4.3Å; W155-L203 HydrophobicContact CD2-CD2 4.18Å; W155-L203 HydrophobicContact CE3-CD2 4.32Å; W155-L203 HydrophobicContact CH2-CD2 4.35Å; W155-L203 HydrophobicContact CZ2-CD2 4.21Å; W155-L203 HydrophobicContact CZ3-CD2 4.41Å; W155-A237 HydrophobicContact CH2-CB 3.71Å; W155-A237 HydrophobicContact CZ3-CB 3.75Å; W155-L240 HydrophobicContact CE3-CD1 4.44Å; W155-L240 HydrophobicContact CZ3-CD1 3.86Å
156	V	95.6	Very high	95.4	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.024	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-43.8	175.1	175.8	0	0	0	0	110.8	M152 H153 D158 V159 L160 L240	M152-V156 WeakPolarHBondContact O-CG2 3.36Å; M152-V156 PolarHBondContact O-N 3.37Å; M152-V156 HydrophobicContact SD-CG2 4.31Å; H153-V156 PolarHBondContact O-N 2.95Å; V156-D158 PolarHBondContact O-N 2.83Å; V156-V159 WeakPolarHBondContact O-CB 3.46Å; V156-V159 PolarHBondContact O-N 2.86Å; V156-V159 VanDerWaalsContact O-N 3.15Å; V156-L160 HydrophobicContact CG1-CD1 3.8Å; V156-L160 HydrophobicContact CG1-CG 4.17Å; V156-L160 WeakPolarHBondContact O-CG 3.42Å; V156-L160 PolarHBondContact O-N 3.34Å; V156-L240 HydrophobicContact CG2-CB 3.67Å; V156-L240 HydrophobicContact CG2-CD1 4.33Å
157	E	93.9	Very high	95.5	Very high	80 Å²	80	54.5 Å²	54.5	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-60.3	-40.3	177.7	-75.6	-68.6	142	0	0	112.8	H153 V159 L160 D161	H153-E157 IonicContact CE1-OE1 3.41Å; H153-E157 WeakPolarHBondContact O-CB 3.44Å; H153-E157 WeakPolarHBondContact O-CG 3.27Å; H153-E157 PolarHBondContact O-N 2.9Å; E157-V159 VanDerWaalsContact C-N 3.32Å; E157-V159 PolarHBondContact O-N 3.42Å; E157-L160 PolarHBondContact O-N 2.94Å; E157-D161 WeakPolarHBondContact O-CB 3.35Å; E157-D161 PolarHBondContact O-N 3.5Å
158	D	95.4	Very high	95.5	Very high	78 Å²	78	51 Å²	51	42%	0.417	24%	0.241	S	C	.	.	H	α-helix	trans	-61.2	-41.2	174.3	179.4	73.9	0	0	0	112	M154 W155 V156 K162	M154-D158 PolarHBondContact O-N 2.93Å; M154-D158 VanDerWaalsContact O-N 3.11Å; W155-D158 PolarHBondContact O-N 2.94Å; V156-D158 PolarHBondContact O-N 2.83Å; D158-K162 WeakPolarHBondContact O-CG 3.27Å; D158-K162 PolarHBondContact O-N 3.35Å; D158-K162 IonicContact OD1-NZ 3.59Å; D158-K162 WeakPolarHBondContact OD2-CE 3.27Å; D158-K162 IonicContact OD2-NZ 2.83Å; D158-K162 PolarHBondContact OD2-NZ 2.93Å
159	V	96.2	Very high	95.5	Very high	10 Å²	10	50 Å²	50	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-65.9	-44.6	175.9	177	0	0	0	0	110.3	W155 V156 E157 K162 F163 F191 M194 A237	W155-V159 WeakPolarHBondContact O-CG2 3.17Å; W155-V159 PolarHBondContact O-N 2.85Å; V156-V159 WeakPolarHBondContact O-CB 3.46Å; V156-V159 PolarHBondContact O-N 2.86Å; V156-V159 VanDerWaalsContact O-N 3.15Å; E157-V159 VanDerWaalsContact C-N 3.32Å; E157-V159 PolarHBondContact O-N 3.42Å; V159-K162 PolarHBondContact O-N 3Å; V159-F163 VanDerWaalsContact O-CB 3.29Å; V159-F163 WeakPolarHBondContact O-CB 2.9Å; V159-F163 PolarHBondContact O-N 3.12Å; V159-F191 HydrophobicContact CB-CE1 4.49Å; V159-F191 HydrophobicContact CG1-CE1 3.94Å; V159-F191 HydrophobicContact CG1-CZ 3.97Å; V159-M194 HydrophobicContact CG1-CE 4.41Å; V159-M194 HydrophobicContact CG2-CE 3.88Å; V159-M194 HydrophobicContact CG2-SD 4.32Å; V159-A237 HydrophobicContact CB-CB 4.25Å; V159-A237 HydrophobicContact CG1-CB 3.82Å; V159-A237 HydrophobicContact CG2-CB 4.19Å
160	L	94.7	Very high	95.7	Very high	19 Å²	19	48.4 Å²	48.4	10%	0.099	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-46.2	178.7	-71.6	173	0	0	0	111.6	L95 V156 E157 K162 F163 M164	L95-L160 HydrophobicContact CD1-CB 4.23Å; L95-L160 HydrophobicContact CD1-CD1 4.09Å; L95-L160 HydrophobicContact CD1-CD2 4.5Å; V156-L160 HydrophobicContact CG1-CD1 3.8Å; V156-L160 HydrophobicContact CG1-CG 4.17Å; V156-L160 WeakPolarHBondContact O-CG 3.42Å; V156-L160 PolarHBondContact O-N 3.34Å; E157-L160 PolarHBondContact O-N 2.94Å; L160-K162 VanDerWaalsContact C-N 3.33Å; L160-K162 PolarHBondContact O-N 2.87Å; L160-F163 CarbonylContact O-C 3.59Å; L160-F163 WeakPolarHBondContact O-CA 3.46Å; L160-F163 WeakPolarHBondContact O-CB 3.46Å; L160-F163 PolarHBondContact O-N 2.89Å; L160-M164 VanDerWaalsContact O-CG 3.27Å; L160-M164 WeakPolarHBondContact O-CG 3.36Å; L160-M164 PolarHBondContact O-N 2.6Å
161	D	94.8	Very high	95.8	Very high	102 Å²	102	47.9 Å²	47.9	55%	0.545	23%	0.228	S	C	.	.	H	α-helix	trans	-55.8	-46.5	177.9	179.4	73	0	0	0	112	E157 M164	E157-D161 WeakPolarHBondContact O-CB 3.35Å; E157-D161 PolarHBondContact O-N 3.5Å; D161-M164 PolarHBondContact O-N 3.47Å
162	K	96.3	Very high	95.8	Very high	30 Å²	30	46.6 Å²	46.6	13%	0.13	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-43.3	174	-70.7	168.8	-177.2	167.1	0	111.5	D158 V159 L160 M164 R165 D190 F191	D158-K162 WeakPolarHBondContact O-CG 3.27Å; D158-K162 PolarHBondContact O-N 3.35Å; D158-K162 IonicContact OD1-NZ 3.59Å; D158-K162 WeakPolarHBondContact OD2-CE 3.27Å; D158-K162 IonicContact OD2-NZ 2.83Å; D158-K162 PolarHBondContact OD2-NZ 2.93Å; V159-K162 PolarHBondContact O-N 3Å; L160-K162 VanDerWaalsContact C-N 3.33Å; L160-K162 PolarHBondContact O-N 2.87Å; K162-M164 VanDerWaalsContact C-N 3.34Å; K162-M164 PolarHBondContact O-N 2.94Å; K162-R165 WeakPolarHBondContact O-CB 3.44Å; K162-R165 VanDerWaalsContact O-CD 3.25Å; K162-R165 WeakPolarHBondContact O-CD 3.3Å; K162-R165 WeakPolarHBondContact O-CG 3.3Å; K162-R165 PolarHBondContact O-N 3.06Å; K162-D190 IonicContact NZ-OD2 3.43Å; K162-D190 PolarHBondContact NZ-OD2 2.64Å; K162-D190 VanDerWaalsContact NZ-OD2 3.15Å; K162-F191 HydrophobicContact CB-CE1 4.08Å; K162-F191 HydrophobicContact CB-CE2 4.33Å; K162-F191 HydrophobicContact CB-CZ 3.59Å; K162-F191 HydrophobicContact CD-CE1 4.09Å; K162-F191 HydrophobicContact CD-CZ 4.46Å
163	F	96.5	Very high	95.9	Very high	22 Å²	22	48.2 Å²	48.2	10%	0.096	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-37.7	-179.5	-172.6	-99.8	0	0	0	112.7	V159 L160 R165 I166 L186 F191 F234 M469 I472	V159-F163 VanDerWaalsContact O-CB 3.29Å; V159-F163 WeakPolarHBondContact O-CB 2.9Å; V159-F163 PolarHBondContact O-N 3.12Å; L160-F163 CarbonylContact O-C 3.59Å; L160-F163 WeakPolarHBondContact O-CA 3.46Å; L160-F163 WeakPolarHBondContact O-CB 3.46Å; L160-F163 PolarHBondContact O-N 2.89Å; F163-R165 PolarHBondContact O-N 2.82Å; F163-I166 HydrophobicContact CE1-CG2 4.38Å; F163-I166 WeakPolarHBondContact O-CB 3.49Å; F163-I166 WeakPolarHBondContact O-CG2 3.44Å; F163-I166 PolarHBondContact O-N 3.26Å; F163-L186 HydrophobicContact CD2-CD1 3.82Å; F163-L186 HydrophobicContact CE2-CD1 4.09Å; F163-F191 HydrophobicContact CB-CE2 4.5Å; F163-F191 HydrophobicContact CB-CZ 4.47Å; F163-F234 AromaticContact CD2-CZ 3.92Å; F163-F234 HydrophobicContact CD2-CZ 3.92Å; F163-F234 HydrophobicContact CE2-CZ 4.08Å; F163-M469 HydrophobicContact CE2-CE 4.27Å; F163-M469 HydrophobicContact CE2-SD 3.74Å; F163-M469 HydrophobicContact CZ-CE 4.44Å; F163-M469 HydrophobicContact CZ-SD 3.43Å; F163-M469 WeakPolarHBondContact CZ-SD 3.44Å; F163-I472 HydrophobicContact CE1-CD1 3.66Å; F163-I472 HydrophobicContact CE2-CD1 4.47Å; F163-I472 HydrophobicContact CZ-CD1 3.38Å
164	M	95.9	Very high	96.1	Very high	50 Å²	50	44.7 Å²	44.7	25%	0.246	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.1	179.7	-71	-54	-68.7	0	0	114	L95 L97 L160 D161 K162 I166 Y167	L95-M164 HydrophobicContact CB-SD 3.82Å; L95-M164 HydrophobicContact CD1-SD 4.23Å; L95-M164 HydrophobicContact CD2-CE 4.3Å; L95-M164 HydrophobicContact CD2-SD 4.32Å; L95-M164 HydrophobicContact CG-SD 4.35Å; L97-M164 HydrophobicContact CD1-CE 3.63Å; L97-M164 HydrophobicContact CD2-CE 4.38Å; L97-M164 HydrophobicContact CG-CE 3.92Å; L160-M164 VanDerWaalsContact O-CG 3.27Å; L160-M164 WeakPolarHBondContact O-CG 3.36Å; L160-M164 PolarHBondContact O-N 2.6Å; D161-M164 PolarHBondContact O-N 3.47Å; K162-M164 VanDerWaalsContact C-N 3.34Å; K162-M164 PolarHBondContact O-N 2.94Å; M164-I166 PolarHBondContact O-N 3.36Å; M164-I166 VanDerWaalsContact O-N 3.12Å; M164-Y167 HydrophobicContact CE-CD2 3.63Å; M164-Y167 HydrophobicContact CE-CE2 3.51Å; M164-Y167 WeakPolarHBondContact O-CD2 3.48Å; M164-Y167 PolarHBondContact O-N 3.47Å; M164-Y167 HydrophobicContact SD-CD2 4.09Å; M164-Y167 HydrophobicContact SD-CE2 3.56Å; M164-Y167 VanDerWaalsContact SD-CE2 3.56Å
165	R	96.3	Very high	96.2	Very high	48 Å²	48	38.9 Å²	38.9	18%	0.181	19%	0.191	C	C	.	.	H	α-helix	trans	-56.9	-26.1	174.3	-62	169.7	-169.2	-177.1	-4.1	112.6	K162 F163 Y167 R168 Y169 L186 Y498	K162-R165 WeakPolarHBondContact O-CB 3.44Å; K162-R165 VanDerWaalsContact O-CD 3.25Å; K162-R165 WeakPolarHBondContact O-CD 3.3Å; K162-R165 WeakPolarHBondContact O-CG 3.3Å; K162-R165 PolarHBondContact O-N 3.06Å; F163-R165 PolarHBondContact O-N 2.82Å; R165-Y167 VanDerWaalsContact C-N 3.27Å; R165-Y167 PolarHBondContact O-N 2.84Å; R165-R168 WeakPolarHBondContact O-CB 3.21Å; R165-R168 PolarHBondContact O-N 3.17Å; R165-Y169 HydrophobicContact CB-CE1 4.28Å; R165-Y169 HydrophobicContact CB-CE2 4.01Å; R165-Y169 PolarHBondContact O-N 3.19Å; R165-L186 HydrophobicContact CB-CD2 3.91Å; R165-L186 WeakPolarHBondContact CD-O 3.41Å; R165-L186 PolarHBondContact NH1-O 3.46Å; R165-Y498 HydrophobicContact CG-CD2 4.17Å; R165-Y498 HydrophobicContact CG-CE2 4.32Å
166	I	97.4	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56.4	-40	-178.8	-169.4	55.7	0	0	0	112.7	F163 M164 R168 Y169 Q170 F176 L182 L186 I472	F163-I166 HydrophobicContact CE1-CG2 4.38Å; F163-I166 WeakPolarHBondContact O-CB 3.49Å; F163-I166 WeakPolarHBondContact O-CG2 3.44Å; F163-I166 PolarHBondContact O-N 3.26Å; M164-I166 PolarHBondContact O-N 3.36Å; M164-I166 VanDerWaalsContact O-N 3.12Å; I166-R168 VanDerWaalsContact C-N 3.3Å; I166-R168 PolarHBondContact O-N 3.17Å; I166-Y169 PolarHBondContact O-N 2.96Å; I166-Q170 HydrophobicContact CD1-CG 4.13Å; I166-Q170 HydrophobicContact CG1-CG 4.33Å; I166-Q170 WeakPolarHBondContact O-CB 3.29Å; I166-Q170 WeakPolarHBondContact O-CG 3.43Å; I166-Q170 PolarHBondContact O-N 3.04Å; I166-F176 HydrophobicContact CD1-CE2 4.07Å; I166-L182 HydrophobicContact CD1-CD1 4.21Å; I166-L182 HydrophobicContact CD1-CD2 4.39Å; I166-L182 HydrophobicContact CD1-CG 4.18Å; I166-L186 HydrophobicContact CB-CD1 4.18Å; I166-L186 HydrophobicContact CB-CD2 3.63Å; I166-L186 HydrophobicContact CD1-CD2 4.21Å; I166-L186 HydrophobicContact CG1-CD2 4.46Å; I166-I472 HydrophobicContact CD1-CG2 4.11Å; I166-I472 HydrophobicContact CG1-CD1 4.35Å; I166-I472 HydrophobicContact CG1-CG1 4.37Å; I166-I472 HydrophobicContact CG1-CG2 3.67Å; I166-I472 HydrophobicContact CG2-CD1 3.94Å
167	Y	97.5	Very high	96.4	Very high	28 Å²	28	37.4 Å²	37.4	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-68.6	-34.1	-179.3	-56.3	-68.4	0	0	0	111.7	L95 L97 H98 M164 R165 S171 E468	L95-Y167 PolarHBondContact O-OH 3.33Å; L97-Y167 HydrophobicContact CB-CD1 3.89Å; L97-Y167 HydrophobicContact CB-CD2 4.44Å; L97-Y167 HydrophobicContact CB-CE1 3.54Å; L97-Y167 HydrophobicContact CB-CE2 4.12Å; L97-Y167 HydrophobicContact CB-CG 4.31Å; L97-Y167 HydrophobicContact CD1-CD1 4.24Å; L97-Y167 HydrophobicContact CD1-CD2 3.62Å; L97-Y167 HydrophobicContact CD1-CE1 4.45Å; L97-Y167 HydrophobicContact CD1-CE2 3.86Å; L97-Y167 HydrophobicContact CD1-CG 3.81Å; L97-Y167 HydrophobicContact CG-CD1 4.37Å; L97-Y167 HydrophobicContact CG-CD2 4.02Å; L97-Y167 HydrophobicContact CG-CE1 4.09Å; L97-Y167 HydrophobicContact CG-CE2 3.71Å; L97-Y167 HydrophobicContact CG-CG 4.32Å; L97-Y167 PolarHBondContact N-OH 3.43Å; H98-Y167 AromaticContact CD2-CE1 3.64Å; H98-Y167 AromaticContact NE2-CD1 3.94Å; H98-Y167 AromaticContact NE2-CE1 3.85Å; M164-Y167 HydrophobicContact CE-CD2 3.63Å; M164-Y167 HydrophobicContact CE-CE2 3.51Å; M164-Y167 WeakPolarHBondContact O-CD2 3.48Å; M164-Y167 PolarHBondContact O-N 3.47Å; M164-Y167 HydrophobicContact SD-CD2 4.09Å; M164-Y167 HydrophobicContact SD-CE2 3.56Å; M164-Y167 VanDerWaalsContact SD-CE2 3.56Å; R165-Y167 VanDerWaalsContact C-N 3.27Å; R165-Y167 PolarHBondContact O-N 2.84Å; Y167-S171 VanDerWaalsContact O-CB 3.32Å; Y167-S171 WeakPolarHBondContact O-CB 3.36Å; Y167-S171 PolarHBondContact O-N 2.9Å; Y167-S171 PolarHBondContact O-OG 2.78Å; Y167-E468 VanDerWaalsContact CE1-OE1 3.26Å; Y167-E468 WeakPolarHBondContact CE1-OE1 3.44Å; Y167-E468 WeakPolarHBondContact OH-CG 3.49Å; Y167-E468 PolarHBondContact OH-OE1 3.32Å
168	R	95.6	Very high	96.5	Very high	70 Å²	70	34.6 Å²	34.6	26%	0.264	18%	0.177	S	C	.	.	H	α-helix	trans	-66.8	-45.1	173.7	-164.2	-176.4	-173.1	-179.9	2.9	110.6	R165 I166 S171 H172 L501 L505	R165-R168 WeakPolarHBondContact O-CB 3.21Å; R165-R168 PolarHBondContact O-N 3.17Å; I166-R168 VanDerWaalsContact C-N 3.3Å; I166-R168 PolarHBondContact O-N 3.17Å; R168-S171 WeakPolarHBondContact CA-OG 3.44Å; R168-S171 PolarHBondContact O-N 3.49Å; R168-S171 PolarHBondContact O-OG 3.07Å; R168-H172 PolarHBondContact O-N 3.15Å; R168-H172 PolarHBondContact O-ND1 2.81Å; R168-L501 HydrophobicContact CG-CD1 4.17Å; R168-L501 VanDerWaalsContact CZ-CB 3.49Å; R168-L501 VanDerWaalsContact CZ-O 3.26Å; R168-L501 PolarHBondContact NH1-O 3.22Å; R168-L501 VanDerWaalsContact NH2-C 3.32Å; R168-L501 PolarHBondContact NH2-O 2.97Å; R168-L505 VanDerWaalsContact NH2-CD1 3.32Å
169	Y	97.5	Very high	96.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-47	179.3	-59	-16.9	0	0	0	111.5	R165 I166 S171 H172 D173 Y174 F176 A185 L186 L497 Y498 L501	R165-Y169 HydrophobicContact CB-CE1 4.28Å; R165-Y169 HydrophobicContact CB-CE2 4.01Å; R165-Y169 PolarHBondContact O-N 3.19Å; I166-Y169 PolarHBondContact O-N 2.96Å; Y169-S171 PolarHBondContact O-N 2.68Å; Y169-H172 CarbonylContact O-C 3.5Å; Y169-H172 PolarHBondContact O-N 2.77Å; Y169-D173 PolarHBondContact O-N 3.05Å; Y169-Y174 PolarHBondContact O-N 3.17Å; Y169-F176 HydrophobicContact CD2-CE2 4.26Å; Y169-F176 AromaticContact CD2-CZ 3.74Å; Y169-F176 HydrophobicContact CD2-CZ 3.74Å; Y169-F176 HydrophobicContact CE2-CZ 4.46Å; Y169-F176 HydrophobicContact CG-CZ 4.4Å; Y169-A185 HydrophobicContact CE2-CB 4.15Å; Y169-A185 VanDerWaalsContact CE2-O 3.3Å; Y169-A185 WeakPolarHBondContact CE2-O 3.28Å; Y169-A185 PolarHBondContact OH-O 2.86Å; Y169-L186 HydrophobicContact CD2-CD2 3.89Å; Y169-L186 HydrophobicContact CE2-CD2 3.75Å; Y169-L497 HydrophobicContact CD1-CB 4.13Å; Y169-L497 HydrophobicContact CD1-CD1 4.36Å; Y169-L497 HydrophobicContact CD2-CD1 4.33Å; Y169-L497 HydrophobicContact CE1-CB 3.7Å; Y169-L497 HydrophobicContact CE2-CB 4.48Å; Y169-L497 HydrophobicContact CG-CD1 4.22Å; Y169-Y498 WeakPolarHBondContact OH-CB 3.38Å; Y169-Y498 PolarHBondContact OH-N 3.04Å; Y169-L501 HydrophobicContact CD1-CD1 3.58Å; Y169-L501 HydrophobicContact CE1-CD1 3.89Å
170	Q	97	Very high	96.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-69.1	-29.4	179.8	-71.3	-173.7	-22.9	0	0	113.9	H98 I166 H172 D173 I472 H475 L479	H98-Q170 PolarHBondContact CE1-OE1 3.08Å; H98-Q170 VanDerWaalsContact CE1-OE1 3.3Å; H98-Q170 PolarHBondContact NE2-OE1 2.53Å; I166-Q170 HydrophobicContact CD1-CG 4.13Å; I166-Q170 HydrophobicContact CG1-CG 4.33Å; I166-Q170 WeakPolarHBondContact O-CB 3.29Å; I166-Q170 WeakPolarHBondContact O-CG 3.43Å; I166-Q170 PolarHBondContact O-N 3.04Å; Q170-H172 VanDerWaalsContact C-N 3.27Å; Q170-D173 PolarHBondContact O-N 2.83Å; Q170-D173 VanDerWaalsContact O-N 3.14Å; Q170-I472 PolarHBondContact NE2-O 3.29Å; Q170-H475 PolarHBondContact OE1-ND1 3.25Å; Q170-L479 HydrophobicContact CB-CD1 4.42Å; Q170-L479 HydrophobicContact CG-CD1 4.35Å
171	S	95.9	Very high	96.6	Very high	82 Å²	82	36.6 Å²	36.6	57%	0.573	18%	0.181	S	C	*	.	H	α-helix	trans	-72.1	-22	174	52.5	0	0	0	0	113.4	Y167 R168 Y169 D173	Y167-S171 VanDerWaalsContact O-CB 3.32Å; Y167-S171 WeakPolarHBondContact O-CB 3.36Å; Y167-S171 PolarHBondContact O-N 2.9Å; Y167-S171 PolarHBondContact O-OG 2.78Å; R168-S171 WeakPolarHBondContact CA-OG 3.44Å; R168-S171 PolarHBondContact O-N 3.49Å; R168-S171 PolarHBondContact O-OG 3.07Å; Y169-S171 PolarHBondContact O-N 2.68Å; S171-D173 VanDerWaalsContact C-N 3.29Å
172	H	96.2	Very high	96.7	Very high	81 Å²	81	31.8 Å²	31.8	38%	0.375	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	18.7	169.8	-62.3	72.9	0	0	0	111.3	R168 Y169 Q170 Y174 M491	R168-H172 PolarHBondContact O-N 3.15Å; R168-H172 PolarHBondContact O-ND1 2.81Å; Y169-H172 CarbonylContact O-C 3.5Å; Y169-H172 PolarHBondContact O-N 2.77Å; Q170-H172 VanDerWaalsContact C-N 3.27Å; H172-Y174 HydrophobicContact CB-CD2 3.8Å; H172-Y174 HydrophobicContact CB-CE2 3.73Å; H172-Y174 PolarHBondContact O-N 3.06Å; H172-Y174 VanDerWaalsContact O-N 3.13Å; H172-M491 WeakPolarHBondContact O-CE 3.45Å
173	D	97	Very high	96.7	Very high	47 Å²	47	30.4 Å²	30.4	25%	0.251	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	14.8	178	-69.8	-13.4	0	0	0	115.9	K56 Y169 Q170 S171 L479 H483 M491	K56-D173 IonicContact NZ-OD1 2.81Å; K56-D173 PolarHBondContact NZ-OD1 3.45Å; K56-D173 IonicContact NZ-OD2 2.71Å; K56-D173 PolarHBondContact NZ-OD2 3.38Å; Y169-D173 PolarHBondContact O-N 3.05Å; Q170-D173 PolarHBondContact O-N 2.83Å; Q170-D173 VanDerWaalsContact O-N 3.14Å; S171-D173 VanDerWaalsContact C-N 3.29Å; D173-L479 HydrophobicContact CB-CD2 3.86Å; D173-H483 PolarHBondContact O-NE2 3.22Å; D173-M491 HydrophobicContact CB-CE 4.18Å
174	Y	98.1	Very high	96.7	Very high	13 Å²	13	32.9 Å²	32.9	5%	0.051	16%	0.161	C	C	.	.			trans	-67.8	140.7	174.5	-66.7	-69.1	0	0	0	111.8	Y169 H172 L479 M491 Q494 L497 K500 L501	Y169-Y174 PolarHBondContact O-N 3.17Å; H172-Y174 HydrophobicContact CB-CD2 3.8Å; H172-Y174 HydrophobicContact CB-CE2 3.73Å; H172-Y174 PolarHBondContact O-N 3.06Å; H172-Y174 VanDerWaalsContact O-N 3.13Å; Y174-L479 WeakPolarHBondContact O-CD1 3.43Å; Y174-M491 WeakPolarHBondContact CA-O 3.29Å; Y174-M491 HydrophobicContact CD1-CE 3.85Å; Y174-M491 HydrophobicContact CE1-CE 3.8Å; Y174-M491 HydrophobicContact CE1-SD 4.17Å; Y174-M491 HydrophobicContact CG-CE 4.33Å; Y174-Q494 HydrophobicContact CD1-CB 4.22Å; Y174-Q494 HydrophobicContact CD1-CG 3.97Å; Y174-Q494 HydrophobicContact CE1-CB 4.22Å; Y174-Q494 HydrophobicContact CE1-CG 3.84Å; Y174-L497 HydrophobicContact CD1-CD1 4.28Å; Y174-L497 HydrophobicContact CD1-CD2 3.7Å; Y174-L497 HydrophobicContact CD2-CD1 4.25Å; Y174-L497 HydrophobicContact CD2-CD2 3.72Å; Y174-L497 HydrophobicContact CE1-CD2 3.52Å; Y174-L497 HydrophobicContact CE2-CD2 3.53Å; Y174-L497 HydrophobicContact CG-CD1 3.91Å; Y174-L497 HydrophobicContact CG-CD2 3.78Å; Y174-L497 VanDerWaalsContact CZ-CD2 3.41Å; Y174-K500 PolarHBondContact OH-NZ 3.27Å; Y174-L501 HydrophobicContact CD2-CD1 4.42Å; Y174-L501 HydrophobicContact CE2-CD1 4.14Å; Y174-L501 HydrophobicContact CE2-CD2 4.17Å; Y174-L501 HydrophobicContact CE2-CG 4.41Å
175	A	97.7	Very high	96.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-131.8	159.5	-179.3	0	0	0	0	0	112.4	N476 L479 L480 M491 I492 D493	A175-N476 WeakPolarHBondContact CA-OD1 3.41Å; A175-L479 HydrophobicContact CB-CB 3.73Å; A175-L480 HydrophobicContact CB-CD2 3.86Å; A175-L480 HydrophobicContact CB-CG 3.99Å; A175-M491 PolarHBondContact N-O 3.12Å; A175-I492 CarbonylContact O-C 3.55Å; A175-I492 WeakPolarHBondContact O-CA 3.41Å; A175-D493 PolarHBondContact O-N 3.04Å
176	F	97.6	Very high	96.8	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.009	15%	0.149	C	C	.	.			trans	-129.4	130.1	-173.9	-54.9	-77.8	0	0	0	111.2	I166 Y169 L182 A185 N476 L480 D493 L497	I166-F176 HydrophobicContact CD1-CE2 4.07Å; Y169-F176 HydrophobicContact CD2-CE2 4.26Å; Y169-F176 AromaticContact CD2-CZ 3.74Å; Y169-F176 HydrophobicContact CD2-CZ 3.74Å; Y169-F176 HydrophobicContact CE2-CZ 4.46Å; Y169-F176 HydrophobicContact CG-CZ 4.4Å; F176-L182 HydrophobicContact CB-CB 3.72Å; F176-L182 HydrophobicContact CB-CG 4.43Å; F176-L182 HydrophobicContact CD2-CB 3.9Å; F176-L182 HydrophobicContact CD2-CD1 3.98Å; F176-L182 HydrophobicContact CD2-CG 3.75Å; F176-L182 HydrophobicContact CE2-CG 4.31Å; F176-L182 HydrophobicContact CG-CB 3.77Å; F176-L182 HydrophobicContact CG-CG 4.17Å; F176-A185 HydrophobicContact CD1-CB 4.1Å; F176-A185 HydrophobicContact CE1-CB 3.27Å; F176-A185 HydrophobicContact CZ-CB 3.7Å; F176-N476 PolarHBondContact N-OD1 3.32Å; F176-N476 PolarHBondContact O-ND2 3.06Å; F176-L480 WeakPolarHBondContact O-CD1 3.42Å; F176-D493 VanDerWaalsContact CA-OD1 3.3Å; F176-D493 WeakPolarHBondContact CA-OD1 3.33Å; F176-L497 HydrophobicContact CE1-CD1 4.08Å; F176-L497 HydrophobicContact CZ-CD1 3.96Å
177	S	96.3	Very high	96.7	Very high	20 Å²	20	29.6 Å²	29.6	14%	0.14	15%	0.152	C	C	.	.	S	Bend	trans	-79.1	-16.6	-175.7	64.3	0	0	0	0	114.6	K181 I448 D493	S177-K181 PolarHBondContact OG-NZ 3.06Å; S177-K181 VanDerWaalsContact OG-NZ 3.17Å; S177-I448 WeakPolarHBondContact O-CB 3.33Å; S177-D493 VanDerWaalsContact CB-OD2 3.3Å; S177-D493 WeakPolarHBondContact CB-OD2 3.47Å; S177-D493 PolarHBondContact N-OD1 2.91Å; S177-D493 VanDerWaalsContact OG-CG 3.28Å; S177-D493 PolarHBondContact OG-OD1 2.97Å; S177-D493 PolarHBondContact OG-OD2 3.22Å
178	S	96.1	Very high	96.6	Very high	21 Å²	21	29.3 Å²	29.3	15%	0.147	16%	0.159	C	C	.	.	S	Bend	trans	-140.5	161.7	174.4	96	0	0	0	0	111.4	E180 K181 L182	S178-E180 VanDerWaalsContact C-N 3.32Å; S178-E180 WeakPolarHBondContact CB-OE2 3.33Å; S178-E180 PolarHBondContact OG-N 2.97Å; S178-E180 PolarHBondContact OG-OE2 3.16Å; S178-K181 PolarHBondContact O-N 3.3Å; S178-K181 PolarHBondContact OG-N 3.36Å; S178-K181 VanDerWaalsContact OG-N 3.12Å; S178-L182 PolarHBondContact O-N 2.94Å; S178-L182 VanDerWaalsContact O-N 3.08Å
179	V	96.2	Very high	96.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.8	-40.6	176.7	177.1	0	0	0	0	110.5	L182 L183 C445 I448 I460 A463	V179-L182 WeakPolarHBondContact O-CB 3.39Å; V179-L182 PolarHBondContact O-N 3.49Å; V179-L183 HydrophobicContact CG1-CD1 4.09Å; V179-L183 HydrophobicContact CG1-CG 4.36Å; V179-L183 WeakPolarHBondContact O-CG 3.31Å; V179-L183 PolarHBondContact O-N 2.96Å; V179-C445 HydrophobicContact CB-CB 3.79Å; V179-C445 HydrophobicContact CG1-CB 4.23Å; V179-C445 HydrophobicContact CG2-CB 4.15Å; V179-I448 HydrophobicContact CG2-CD1 4.2Å; V179-I448 HydrophobicContact CG2-CG1 4.18Å; V179-I460 HydrophobicContact CB-CD1 4.49Å; V179-I460 HydrophobicContact CG1-CD1 3.87Å; V179-I460 HydrophobicContact CG2-CD1 4.07Å; V179-A463 HydrophobicContact CG1-CB 3.69Å
180	E	96.1	Very high	96.5	Very high	51 Å²	51	36.2 Å²	36.2	24%	0.238	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-45.1	177.3	-59.5	85.3	170	0	0	111.3	S178 L182 L183 H184 L192 C445	S178-E180 VanDerWaalsContact C-N 3.32Å; S178-E180 WeakPolarHBondContact CB-OE2 3.33Å; S178-E180 PolarHBondContact OG-N 2.97Å; S178-E180 PolarHBondContact OG-OE2 3.16Å; E180-L182 VanDerWaalsContact C-N 3.34Å; E180-L182 PolarHBondContact O-N 3.4Å; E180-L183 PolarHBondContact O-N 2.82Å; E180-H184 VanDerWaalsContact O-CB 3.25Å; E180-H184 WeakPolarHBondContact O-CB 3.34Å; E180-H184 PolarHBondContact O-N 3.46Å; E180-L192 HydrophobicContact CB-CD2 3.9Å; E180-L192 HydrophobicContact CG-CD2 4.47Å; E180-L192 WeakPolarHBondContact O-CD2 3.27Å; E180-C445 WeakPolarHBondContact OE1-CA 3.34Å; E180-C445 VanDerWaalsContact OE1-CB 3.27Å; E180-C445 WeakPolarHBondContact OE1-CB 3.2Å; E180-C445 PolarHBondContact OE1-N 3.13Å
181	K	96.5	Very high	96.5	Very high	98 Å²	98	36.2 Å²	36.2	43%	0.426	20%	0.201	S	C	.	.	H	α-helix	trans	-63.2	-40.5	176.3	-73.1	-174.2	176.9	172	0	112.3	S177 S178 A185 D493	S177-K181 PolarHBondContact OG-NZ 3.06Å; S177-K181 VanDerWaalsContact OG-NZ 3.17Å; S178-K181 PolarHBondContact O-N 3.3Å; S178-K181 PolarHBondContact OG-N 3.36Å; S178-K181 VanDerWaalsContact OG-N 3.12Å; K181-A185 WeakPolarHBondContact O-CB 3.38Å; K181-A185 PolarHBondContact O-N 2.94Å; K181-D493 HydrophobicContact CD-CB 4.03Å; K181-D493 VanDerWaalsContact CD-OD1 3.27Å; K181-D493 WeakPolarHBondContact CD-OD1 3.43Å; K181-D493 WeakPolarHBondContact CD-OD2 3.5Å; K181-D493 IonicContact NZ-OD2 2.64Å; K181-D493 PolarHBondContact NZ-OD2 3.42Å
182	L	97.2	Very high	96.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-53.3	173.4	-176.1	156.7	0	0	0	110.4	I166 F176 S178 V179 E180 H184 A185 L186 I472	I166-L182 HydrophobicContact CD1-CD1 4.21Å; I166-L182 HydrophobicContact CD1-CD2 4.39Å; I166-L182 HydrophobicContact CD1-CG 4.18Å; F176-L182 HydrophobicContact CB-CB 3.72Å; F176-L182 HydrophobicContact CB-CG 4.43Å; F176-L182 HydrophobicContact CD2-CB 3.9Å; F176-L182 HydrophobicContact CD2-CD1 3.98Å; F176-L182 HydrophobicContact CD2-CG 3.75Å; F176-L182 HydrophobicContact CE2-CG 4.31Å; F176-L182 HydrophobicContact CG-CB 3.77Å; F176-L182 HydrophobicContact CG-CG 4.17Å; S178-L182 PolarHBondContact O-N 2.94Å; S178-L182 VanDerWaalsContact O-N 3.08Å; V179-L182 WeakPolarHBondContact O-CB 3.39Å; V179-L182 PolarHBondContact O-N 3.49Å; E180-L182 VanDerWaalsContact C-N 3.34Å; E180-L182 PolarHBondContact O-N 3.4Å; L182-H184 PolarHBondContact O-N 2.75Å; L182-A185 PolarHBondContact O-N 3.28Å; L182-L186 HydrophobicContact CD2-CD1 3.56Å; L182-L186 HydrophobicContact CD2-CG 4.26Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 3.05Å; L182-I472 HydrophobicContact CD1-CG2 4.27Å
183	L	96.9	Very high	96.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.6	-39.1	-177.9	-70.3	178	0	0	0	112.7	V179 E180 A185 L186 G187 F191 L195 F234 A463	V179-L183 HydrophobicContact CG1-CD1 4.09Å; V179-L183 HydrophobicContact CG1-CG 4.36Å; V179-L183 WeakPolarHBondContact O-CG 3.31Å; V179-L183 PolarHBondContact O-N 2.96Å; E180-L183 PolarHBondContact O-N 2.82Å; L183-A185 VanDerWaalsContact C-N 3.34Å; L183-A185 PolarHBondContact O-N 2.95Å; L183-L186 PolarHBondContact O-N 3.34Å; L183-L186 VanDerWaalsContact O-N 3.17Å; L183-G187 PolarHBondContact O-N 2.77Å; L183-F191 HydrophobicContact CB-CB 4.13Å; L183-F191 HydrophobicContact CB-CD2 4.44Å; L183-F191 HydrophobicContact CD2-CD2 4.14Å; L183-F191 WeakPolarHBondContact O-CD2 3.43Å; L183-L195 HydrophobicContact CD1-CD1 3.56Å; L183-L195 HydrophobicContact CD1-CD2 4.1Å; L183-L195 HydrophobicContact CD1-CG 3.96Å; L183-F234 HydrophobicContact CD2-CD2 4.48Å; L183-F234 HydrophobicContact CD2-CE1 4.02Å; L183-F234 HydrophobicContact CD2-CE2 3.82Å; L183-F234 HydrophobicContact CD2-CZ 3.55Å; L183-A463 HydrophobicContact CD1-CB 3.82Å
184	H	96.6	Very high	96.5	Very high	75 Å²	75	30 Å²	30	35%	0.347	17%	0.169	S	C	.	.	H	α-helix	trans	-62	-40.7	174.1	-177.6	-94	0	0	0	111.6	E180 L182 L186 G188 D189 L192	E180-H184 VanDerWaalsContact O-CB 3.25Å; E180-H184 WeakPolarHBondContact O-CB 3.34Å; E180-H184 PolarHBondContact O-N 3.46Å; L182-H184 PolarHBondContact O-N 2.75Å; H184-L186 PolarHBondContact O-N 2.52Å; H184-G188 WeakPolarHBondContact O-CA 3.39Å; H184-G188 PolarHBondContact O-N 3.36Å; H184-D189 IonicContact CD2-OD1 2.72Å; H184-D189 IonicContact NE2-OD1 3.53Å; H184-L192 HydrophobicContact CB-CD1 4.05Å; H184-L192 HydrophobicContact CB-CD2 4.31Å; H184-L192 HydrophobicContact CB-CG 4.17Å
185	A	96.5	Very high	96.4	Very high	20 Å²	20	29.5 Å²	29.5	17%	0.165	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-28	175.7	0	0	0	0	0	113.3	Y169 F176 K181 L182 L183	Y169-A185 HydrophobicContact CE2-CB 4.15Å; Y169-A185 VanDerWaalsContact CE2-O 3.3Å; Y169-A185 WeakPolarHBondContact CE2-O 3.28Å; Y169-A185 PolarHBondContact OH-O 2.86Å; F176-A185 HydrophobicContact CD1-CB 4.1Å; F176-A185 HydrophobicContact CE1-CB 3.27Å; F176-A185 HydrophobicContact CZ-CB 3.7Å; K181-A185 WeakPolarHBondContact O-CB 3.38Å; K181-A185 PolarHBondContact O-N 2.94Å; L182-A185 PolarHBondContact O-N 3.28Å; L183-A185 VanDerWaalsContact C-N 3.34Å; L183-A185 PolarHBondContact O-N 2.95Å
186	L	96.1	Very high	96.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-80.3	-53.7	177.8	-62	178.9	0	0	0	112.2	F163 R165 I166 Y169 L182 L183 H184 F191	F163-L186 HydrophobicContact CD2-CD1 3.82Å; F163-L186 HydrophobicContact CE2-CD1 4.09Å; R165-L186 HydrophobicContact CB-CD2 3.91Å; R165-L186 WeakPolarHBondContact CD-O 3.41Å; R165-L186 PolarHBondContact NH1-O 3.46Å; I166-L186 HydrophobicContact CB-CD1 4.18Å; I166-L186 HydrophobicContact CB-CD2 3.63Å; I166-L186 HydrophobicContact CD1-CD2 4.21Å; I166-L186 HydrophobicContact CG1-CD2 4.46Å; Y169-L186 HydrophobicContact CD2-CD2 3.89Å; Y169-L186 HydrophobicContact CE2-CD2 3.75Å; L182-L186 HydrophobicContact CD2-CD1 3.56Å; L182-L186 HydrophobicContact CD2-CG 4.26Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 3.05Å; L183-L186 PolarHBondContact O-N 3.34Å; L183-L186 VanDerWaalsContact O-N 3.17Å; H184-L186 PolarHBondContact O-N 2.52Å; L186-F191 HydrophobicContact CB-CD2 3.95Å; L186-F191 HydrophobicContact CB-CE2 3.74Å
187	G	95.6	Very high	96.3	Very high	8 Å²	8	39.4 Å²	39.4	8%	0.082	21%	0.211	C	C	.	.	H	α-helix	trans	-125.2	5.7	-169.3	0	0	0	0	0	115.4	L183 D190	L183-G187 PolarHBondContact O-N 2.77Å; G187-D190 WeakPolarHBondContact O-CB 3.11Å
188	G	95.4	Very high	96.4	Very high	23 Å²	23	39.4 Å²	39.4	24%	0.237	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	-150.2	-176.4	0	0	0	0	0	112.8	H184 D190 F191	H184-G188 WeakPolarHBondContact O-CA 3.39Å; H184-G188 PolarHBondContact O-N 3.36Å; G188-D190 PolarHBondContact O-N 2.84Å; G188-F191 PolarHBondContact O-N 2.83Å
189	D	95.7	Very high	96.5	Very high	119 Å²	119	38.4 Å²	38.4	64%	0.636	20%	0.203	S	C	*	.	H	α-helix	trans	-62.6	-21.3	177.7	-70	-32.1	0	0	0	113.4	H184 L192 G193	H184-D189 IonicContact CD2-OD1 2.72Å; H184-D189 IonicContact NE2-OD1 3.53Å; D189-L192 PolarHBondContact O-N 3.3Å; D189-G193 PolarHBondContact O-N 2.91Å
190	D	95.2	Very high	96.5	Very high	97 Å²	97	40.4 Å²	40.4	52%	0.519	21%	0.213	S	C	.	.	H	α-helix	trans	-60.6	-49.6	176.9	-69.2	-15.6	0	0	0	110.5	K162 G187 G188 G193 M194	K162-D190 IonicContact NZ-OD2 3.43Å; K162-D190 PolarHBondContact NZ-OD2 2.64Å; K162-D190 VanDerWaalsContact NZ-OD2 3.15Å; G187-D190 WeakPolarHBondContact O-CB 3.11Å; G188-D190 PolarHBondContact O-N 2.84Å; D190-G193 PolarHBondContact O-N 2.86Å; D190-M194 WeakPolarHBondContact O-CG 3.39Å; D190-M194 PolarHBondContact O-N 2.75Å
191	F	96.9	Very high	96.6	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-68.2	-36.7	-179.8	-79.7	12.2	0	0	0	111.9	V159 K162 F163 L183 L186 G188 G193 M194 L195 F234	V159-F191 HydrophobicContact CB-CE1 4.49Å; V159-F191 HydrophobicContact CG1-CE1 3.94Å; V159-F191 HydrophobicContact CG1-CZ 3.97Å; K162-F191 HydrophobicContact CB-CE1 4.08Å; K162-F191 HydrophobicContact CB-CE2 4.33Å; K162-F191 HydrophobicContact CB-CZ 3.59Å; K162-F191 HydrophobicContact CD-CE1 4.09Å; K162-F191 HydrophobicContact CD-CZ 4.46Å; F163-F191 HydrophobicContact CB-CE2 4.5Å; F163-F191 HydrophobicContact CB-CZ 4.47Å; L183-F191 HydrophobicContact CB-CB 4.13Å; L183-F191 HydrophobicContact CB-CD2 4.44Å; L183-F191 HydrophobicContact CD2-CD2 4.14Å; L183-F191 WeakPolarHBondContact O-CD2 3.43Å; L186-F191 HydrophobicContact CB-CD2 3.95Å; L186-F191 HydrophobicContact CB-CE2 3.74Å; G188-F191 PolarHBondContact O-N 2.83Å; F191-G193 VanDerWaalsContact C-N 3.31Å; F191-G193 PolarHBondContact O-N 2.83Å; F191-M194 HydrophobicContact CD1-SD 3.89Å; F191-M194 HydrophobicContact CE1-SD 4.34Å; F191-M194 WeakPolarHBondContact O-CB 3.31Å; F191-M194 PolarHBondContact O-N 2.83Å; F191-L195 PolarHBondContact O-N 3.26Å; F191-F234 HydrophobicContact CD1-CD2 4.43Å; F191-F234 HydrophobicContact CD1-CE2 4.26Å; F191-F234 HydrophobicContact CD2-CD2 4.36Å; F191-F234 AromaticContact CD2-CE2 3.62Å; F191-F234 HydrophobicContact CD2-CE2 3.62Å; F191-F234 HydrophobicContact CD2-CZ 4.47Å; F191-F234 HydrophobicContact CE1-CE2 4.31Å; F191-F234 AromaticContact CE2-CE2 3.69Å; F191-F234 HydrophobicContact CE2-CE2 3.69Å; F191-F234 HydrophobicContact CE2-CZ 4.39Å; F191-F234 HydrophobicContact CG-CD2 4.21Å; F191-F234 AromaticContact CG-CE2 3.91Å; F191-F234 HydrophobicContact CG-CE2 3.91Å; F191-F234 HydrophobicContact CZ-CE2 4.03Å
192	L	96	Very high	96.6	Very high	39 Å²	39	38.7 Å²	38.7	20%	0.204	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-38.2	172.2	-62.8	-173.6	0	0	0	111.6	E180 H184 D189 M194 L195 N196	E180-L192 HydrophobicContact CB-CD2 3.9Å; E180-L192 HydrophobicContact CG-CD2 4.47Å; E180-L192 WeakPolarHBondContact O-CD2 3.27Å; H184-L192 HydrophobicContact CB-CD1 4.05Å; H184-L192 HydrophobicContact CB-CD2 4.31Å; H184-L192 HydrophobicContact CB-CG 4.17Å; D189-L192 PolarHBondContact O-N 3.3Å; L192-M194 VanDerWaalsContact C-N 3.28Å; L192-M194 PolarHBondContact O-N 2.85Å; L192-L195 PolarHBondContact O-N 3.27Å; L192-N196 PolarHBondContact O-N 3.37Å; L192-N196 PolarHBondContact O-ND2 2.75Å
193	G	96.6	Very high	96.6	Very high	24 Å²	24	38.7 Å²	38.7	25%	0.247	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-35.8	174.1	0	0	0	0	0	112.6	D189 D190 F191 L195 N196 R197	D189-G193 PolarHBondContact O-N 2.91Å; D190-G193 PolarHBondContact O-N 2.86Å; F191-G193 VanDerWaalsContact C-N 3.31Å; F191-G193 PolarHBondContact O-N 2.83Å; G193-L195 VanDerWaalsContact C-N 3.35Å; G193-N196 PolarHBondContact O-N 2.89Å; G193-N196 VanDerWaalsContact O-N 3.16Å; G193-R197 PolarHBondContact O-N 3.29Å
194	M	97	Very high	96.6	Very high	17 Å²	17	42.4 Å²	42.4	8%	0.084	23%	0.226	C	C	.	.	H	α-helix	trans	-68.7	-28.9	177.5	-69.1	172.2	80.5	0	0	113.4	W155 V159 D190 F191 L192 N196 A233 F234 A237	W155-M194 HydrophobicContact CH2-CE 3.98Å; W155-M194 HydrophobicContact CZ2-CE 3.78Å; V159-M194 HydrophobicContact CG1-CE 4.41Å; V159-M194 HydrophobicContact CG2-CE 3.88Å; V159-M194 HydrophobicContact CG2-SD 4.32Å; D190-M194 WeakPolarHBondContact O-CG 3.39Å; D190-M194 PolarHBondContact O-N 2.75Å; F191-M194 HydrophobicContact CD1-SD 3.89Å; F191-M194 HydrophobicContact CE1-SD 4.34Å; F191-M194 WeakPolarHBondContact O-CB 3.31Å; F191-M194 PolarHBondContact O-N 2.83Å; L192-M194 VanDerWaalsContact C-N 3.28Å; L192-M194 PolarHBondContact O-N 2.85Å; M194-N196 VanDerWaalsContact C-N 3.28Å; M194-A233 HydrophobicContact CB-CB 3.97Å; M194-A233 HydrophobicContact CE-CB 4.38Å; M194-A233 WeakPolarHBondContact CE-O 3.43Å; M194-A233 HydrophobicContact CG-CB 4.14Å; M194-A233 PolarHBondContact O-N 3.22Å; M194-F234 HydrophobicContact CB-CB 3.96Å; M194-F234 HydrophobicContact CE-CB 4.46Å; M194-F234 HydrophobicContact CE-CD2 4.36Å; M194-F234 HydrophobicContact SD-CD2 4.29Å; M194-A237 HydrophobicContact CE-CB 3.88Å
195	L	95.6	Very high	96.6	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-71.4	-25.5	171.3	-68	-173.4	0	0	0	112.9	L183 F191 L192 G193 F234 E443 A463	L183-L195 HydrophobicContact CD1-CD1 3.56Å; L183-L195 HydrophobicContact CD1-CD2 4.1Å; L183-L195 HydrophobicContact CD1-CG 3.96Å; F191-L195 PolarHBondContact O-N 3.26Å; L192-L195 PolarHBondContact O-N 3.27Å; G193-L195 VanDerWaalsContact C-N 3.35Å; L195-F234 HydrophobicContact CD2-CB 4.1Å; L195-E443 HydrophobicContact CB-CB 4.37Å; L195-E443 WeakPolarHBondContact O-CG 3.01Å; L195-E443 PolarHBondContact O-N 2.95Å; L195-A463 HydrophobicContact CD2-CB 4.23Å
196	N	96.1	Very high	96.5	Very high	85 Å²	85	46.6 Å²	46.6	46%	0.455	25%	0.247	S	C	.	.	S	Bend	trans	-96.9	-3	-171.7	-73	-44.4	0	0	0	114.3	L192 G193 M194 P442	L192-N196 PolarHBondContact O-N 3.37Å; L192-N196 PolarHBondContact O-ND2 2.75Å; G193-N196 PolarHBondContact O-N 2.89Å; G193-N196 VanDerWaalsContact O-N 3.16Å; M194-N196 VanDerWaalsContact C-N 3.28Å; N196-P442 WeakPolarHBondContact OD1-CB 3.44Å
197	R	97.1	Very high	96.5	Very high	125 Å²	125	48.8 Å²	48.8	47%	0.472	27%	0.269	S	S	.	.	S	Bend	trans	-133.3	150.7	-178.4	-63.9	177.1	-175.1	167.2	6	110.4	G193 N232 A233	G193-R197 PolarHBondContact O-N 3.29Å; R197-N232 WeakPolarHBondContact O-CA 3.39Å; R197-A233 PolarHBondContact O-N 3.15Å; R197-A233 VanDerWaalsContact O-N 3.11Å
198	T	98.1	Very high	96.7	Very high	20 Å²	20	49 Å²	49	12%	0.123	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-68.5	155.6	173.2	69.6	0	0	0	0	110.5	L200 E201 T202 D230 I231 P441	T198-L200 VanDerWaalsContact C-N 3.26Å; T198-L200 PolarHBondContact O-N 3.28Å; T198-E201 PolarHBondContact O-N 3.15Å; T198-E201 WeakPolarHBondContact OG1-CB 3.47Å; T198-E201 VanDerWaalsContact OG1-CG 3.24Å; T198-E201 WeakPolarHBondContact OG1-CG 3.37Å; T198-E201 PolarHBondContact OG1-N 2.71Å; T198-T202 WeakPolarHBondContact O-CB 3.27Å; T198-T202 PolarHBondContact O-N 3.13Å; T198-T202 VanDerWaalsContact O-N 3.08Å; T198-T202 PolarHBondContact O-OG1 2.81Å; T198-D230 WeakPolarHBondContact CG2-O 3.49Å; T198-I231 CarbonylContact C-O 3.57Å; T198-I231 VanDerWaalsContact CA-O 3.27Å; T198-I231 WeakPolarHBondContact CA-O 3.15Å; T198-P441 HydrophobicContact CG2-CG 4.14Å
199	L	98.1	Very high	96.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59	-43.2	171.5	179.5	64.4	0	0	0	110.2	W155 E201 T202 L203 I217 M221 T229 I231 A233	W155-L199 HydrophobicContact CH2-CD1 3.89Å; W155-L199 HydrophobicContact CZ3-CD1 4.4Å; L199-E201 PolarHBondContact O-N 3.44Å; L199-T202 PolarHBondContact O-N 2.81Å; L199-L203 HydrophobicContact CD1-CD1 3.66Å; L199-L203 HydrophobicContact CD1-CD2 4.38Å; L199-L203 HydrophobicContact CD1-CG 3.82Å; L199-L203 HydrophobicContact CD2-CD1 4.42Å; L199-L203 HydrophobicContact CG-CD1 3.81Å; L199-L203 HydrophobicContact CG-CG 4.24Å; L199-L203 WeakPolarHBondContact O-CG 3.45Å; L199-L203 PolarHBondContact O-N 2.87Å; L199-I217 HydrophobicContact CD2-CG2 3.7Å; L199-M221 HydrophobicContact CD2-CE 4.09Å; L199-M221 HydrophobicContact CD2-CG 4.02Å; L199-M221 HydrophobicContact CD2-SD 3.65Å; L199-T229 HydrophobicContact CD2-CG2 4.5Å; L199-T229 PolarHBondContact N-O 3.2Å; L199-I231 HydrophobicContact CB-CG1 4.32Å; L199-I231 PolarHBondContact N-O 3.31Å; L199-A233 HydrophobicContact CD1-CB 4.42Å
200	L	97.7	Very high	96.8	Very high	41 Å²	41	50.5 Å²	50.5	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-54.8	-54.5	177.9	-177.4	64.5	0	0	0	111.7	T198 T202 L203 Q204 L213 T229	T198-L200 VanDerWaalsContact C-N 3.26Å; T198-L200 PolarHBondContact O-N 3.28Å; L200-T202 VanDerWaalsContact C-N 3.29Å; L200-T202 PolarHBondContact O-N 2.99Å; L200-L203 PolarHBondContact O-N 3.05Å; L200-Q204 HydrophobicContact CD1-CG 4.2Å; L200-Q204 HydrophobicContact CG-CG 4.5Å; L200-Q204 WeakPolarHBondContact O-CB 3.2Å; L200-Q204 VanDerWaalsContact O-CG 3.29Å; L200-Q204 WeakPolarHBondContact O-CG 3.41Å; L200-Q204 PolarHBondContact O-N 2.81Å; L200-L213 HydrophobicContact CD1-CD1 3.83Å; L200-T229 PolarHBondContact N-O 2.7Å
201	E	97.3	Very high	96.9	Very high	87 Å²	87	50.1 Å²	50.1	41%	0.407	26%	0.263	S	S	.	.	H	α-helix	trans	-60.6	-40	179.6	-75.2	175.7	-171.4	0	0	112.1	T198 L199 K205	T198-E201 PolarHBondContact O-N 3.15Å; T198-E201 WeakPolarHBondContact OG1-CB 3.47Å; T198-E201 VanDerWaalsContact OG1-CG 3.24Å; T198-E201 WeakPolarHBondContact OG1-CG 3.37Å; T198-E201 PolarHBondContact OG1-N 2.71Å; L199-E201 PolarHBondContact O-N 3.44Å; E201-K205 WeakPolarHBondContact O-CB 3.48Å; E201-K205 VanDerWaalsContact O-CG 3.25Å; E201-K205 WeakPolarHBondContact O-CG 3.46Å; E201-K205 PolarHBondContact O-N 2.93Å
202	T	97.3	Very high	96.9	Very high	27 Å²	27	50.2 Å²	50.2	17%	0.166	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-47	-178.7	-60.7	0	0	0	0	110.9	W155 T198 L199 L200 A206 A233	W155-T202 HydrophobicContact CZ2-CG2 4.3Å; T198-T202 WeakPolarHBondContact O-CB 3.27Å; T198-T202 PolarHBondContact O-N 3.13Å; T198-T202 VanDerWaalsContact O-N 3.08Å; T198-T202 PolarHBondContact O-OG1 2.81Å; L199-T202 PolarHBondContact O-N 2.81Å; L200-T202 VanDerWaalsContact C-N 3.29Å; L200-T202 PolarHBondContact O-N 2.99Å; T202-A206 PolarHBondContact O-N 2.75Å; T202-A233 HydrophobicContact CG2-CB 4.03Å; T202-A233 WeakPolarHBondContact OG1-CB 3.31Å
203	L	97.6	Very high	97	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-75.7	-35.2	-178.7	-62.1	-178.9	0	0	0	112.5	M152 W155 L199 L200 K205 A206 G207 F208 L213 I217	M152-L203 HydrophobicContact CE-CD1 3.55Å; M152-L203 HydrophobicContact CE-CD2 3.79Å; M152-L203 HydrophobicContact CE-CG 4.27Å; W155-L203 HydrophobicContact CD2-CD2 4.18Å; W155-L203 HydrophobicContact CE3-CD2 4.32Å; W155-L203 HydrophobicContact CH2-CD2 4.35Å; W155-L203 HydrophobicContact CZ2-CD2 4.21Å; W155-L203 HydrophobicContact CZ3-CD2 4.41Å; L199-L203 HydrophobicContact CD1-CD1 3.66Å; L199-L203 HydrophobicContact CD1-CD2 4.38Å; L199-L203 HydrophobicContact CD1-CG 3.82Å; L199-L203 HydrophobicContact CD2-CD1 4.42Å; L199-L203 HydrophobicContact CG-CD1 3.81Å; L199-L203 HydrophobicContact CG-CG 4.24Å; L199-L203 WeakPolarHBondContact O-CG 3.45Å; L199-L203 PolarHBondContact O-N 2.87Å; L200-L203 PolarHBondContact O-N 3.05Å; L203-K205 VanDerWaalsContact C-N 3.35Å; L203-K205 PolarHBondContact O-N 2.89Å; L203-A206 CarbonylContact O-C 3.58Å; L203-A206 PolarHBondContact O-N 3.48Å; L203-A206 VanDerWaalsContact O-N 3.16Å; L203-G207 PolarHBondContact O-N 3.02Å; L203-G207 VanDerWaalsContact O-N 3.16Å; L203-F208 HydrophobicContact CB-CB 4.23Å; L203-F208 HydrophobicContact CB-CD2 3.84Å; L203-F208 HydrophobicContact CB-CG 4.28Å; L203-F208 HydrophobicContact CD2-CD2 3.92Å; L203-F208 HydrophobicContact CD2-CE2 3.84Å; L203-F208 HydrophobicContact CG-CD2 4.42Å; L203-F208 WeakPolarHBondContact O-CB 3.4Å; L203-F208 VanDerWaalsContact O-CD2 3.3Å; L203-F208 WeakPolarHBondContact O-CD2 3.11Å; L203-F208 PolarHBondContact O-N 2.97Å; L203-L213 HydrophobicContact CB-CD1 4.44Å; L203-L213 HydrophobicContact CB-CD2 3.66Å; L203-L213 HydrophobicContact CD1-CD2 3.59Å; L203-L213 HydrophobicContact CG-CD2 4.3Å; L203-I217 HydrophobicContact CD1-CG1 4.38Å; L203-I217 HydrophobicContact CD1-CG2 4.1Å
204	Q	97	Very high	97	Very high	78 Å²	78	51.1 Å²	51.1	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-61.4	-44.2	172.4	-75.9	179	-29.4	0	0	111.4	L200 A206 G207 L213	L200-Q204 HydrophobicContact CD1-CG 4.2Å; L200-Q204 HydrophobicContact CG-CG 4.5Å; L200-Q204 WeakPolarHBondContact O-CB 3.2Å; L200-Q204 VanDerWaalsContact O-CG 3.29Å; L200-Q204 WeakPolarHBondContact O-CG 3.41Å; L200-Q204 PolarHBondContact O-N 2.81Å; Q204-A206 VanDerWaalsContact C-N 3.26Å; Q204-A206 PolarHBondContact O-N 3.01Å; Q204-G207 WeakPolarHBondContact O-CA 3.34Å; Q204-G207 PolarHBondContact O-N 3.11Å; Q204-L213 HydrophobicContact CG-CD1 3.62Å
205	K	95.8	Very high	96.9	Very high	144 Å²	144	51.7 Å²	51.7	63%	0.626	27%	0.266	S	S	*	.	H	α-helix	trans	-62.7	-32.7	173.9	-75.4	172.9	-177.1	166.9	0	112.6	E201 L203 G207	E201-K205 WeakPolarHBondContact O-CB 3.48Å; E201-K205 VanDerWaalsContact O-CG 3.25Å; E201-K205 WeakPolarHBondContact O-CG 3.46Å; E201-K205 PolarHBondContact O-N 2.93Å; L203-K205 VanDerWaalsContact C-N 3.35Å; L203-K205 PolarHBondContact O-N 2.89Å; K205-G207 PolarHBondContact O-N 2.8Å
206	A	95.2	Very high	96.9	Very high	40 Å²	40	53.1 Å²	53.1	33%	0.331	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	0.3	172.1	0	0	0	0	0	113.4	R151 T202 L203 Q204 F208	R151-A206 PolarHBondContact NH2-O 3.27Å; T202-A206 PolarHBondContact O-N 2.75Å; L203-A206 CarbonylContact O-C 3.58Å; L203-A206 PolarHBondContact O-N 3.48Å; L203-A206 VanDerWaalsContact O-N 3.16Å; Q204-A206 VanDerWaalsContact C-N 3.26Å; Q204-A206 PolarHBondContact O-N 3.01Å; A206-F208 HydrophobicContact CB-CD2 3.96Å; A206-F208 HydrophobicContact CB-CE2 3.98Å
207	G	96.4	Very high	97	Very high	45 Å²	45	49.2 Å²	49.2	46%	0.464	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	30.9	175.4	0	0	0	0	0	114.2	R151 L203 Q204 K205	R151-G207 PolarHBondContact NH1-O 2.92Å; L203-G207 PolarHBondContact O-N 3.02Å; L203-G207 VanDerWaalsContact O-N 3.16Å; Q204-G207 WeakPolarHBondContact O-CA 3.34Å; Q204-G207 PolarHBondContact O-N 3.11Å; K205-G207 PolarHBondContact O-N 2.8Å
208	F	97.9	Very high	97	Very high	13 Å²	13	43.3 Å²	43.3	6%	0.057	23%	0.23	C	C	.	.			trans	-82.3	138.5	165.6	-69.8	-88	0	0	0	110.2	Q148 R151 M152 L203 A206 F212 L213	Q148-F208 HydrophobicContact CB-CD1 4.19Å; Q148-F208 HydrophobicContact CB-CE1 4.39Å; Q148-F208 HydrophobicContact CG-CD1 4.25Å; Q148-F208 WeakPolarHBondContact O-CE1 3.32Å; R151-F208 HydrophobicContact CB-CE1 4.05Å; R151-F208 HydrophobicContact CB-CZ 3.97Å; M152-F208 HydrophobicContact CB-CE1 4.02Å; M152-F208 HydrophobicContact CB-CZ 4.32Å; M152-F208 HydrophobicContact CE-CD1 4.04Å; M152-F208 HydrophobicContact CE-CD2 4.46Å; M152-F208 HydrophobicContact CE-CE1 3.65Å; M152-F208 HydrophobicContact CE-CE2 4.11Å; M152-F208 HydrophobicContact CE-CG 4.43Å; M152-F208 HydrophobicContact CE-CZ 3.68Å; L203-F208 HydrophobicContact CB-CB 4.23Å; L203-F208 HydrophobicContact CB-CD2 3.84Å; L203-F208 HydrophobicContact CB-CG 4.28Å; L203-F208 HydrophobicContact CD2-CD2 3.92Å; L203-F208 HydrophobicContact CD2-CE2 3.84Å; L203-F208 HydrophobicContact CG-CD2 4.42Å; L203-F208 WeakPolarHBondContact O-CB 3.4Å; L203-F208 VanDerWaalsContact O-CD2 3.3Å; L203-F208 WeakPolarHBondContact O-CD2 3.11Å; L203-F208 PolarHBondContact O-N 2.97Å; A206-F208 HydrophobicContact CB-CD2 3.96Å; A206-F208 HydrophobicContact CB-CE2 3.98Å; F208-F212 AromaticContact CD1-CD1 3.69Å; F208-F212 HydrophobicContact CD1-CD1 3.69Å; F208-F212 AromaticContact CD1-CE1 3.75Å; F208-F212 HydrophobicContact CD1-CE1 3.75Å; F208-F212 HydrophobicContact CE1-CD1 4.38Å; F208-F212 AromaticContact CE1-CE1 3.98Å; F208-F212 HydrophobicContact CE1-CE1 3.98Å; F208-L213 HydrophobicContact CB-CD1 4.36Å; F208-L213 HydrophobicContact CB-CD2 3.84Å; F208-L213 HydrophobicContact CB-CG 4.17Å
209	S	97.6	Very high	96.9	Very high	42 Å²	42	42.3 Å²	42.3	29%	0.294	22%	0.224	S	C	.	.			trans	-75	144.9	-179.8	66.9	0	0	0	0	111.6	Q148 K211 F212 L213	Q148-S209 PolarHBondContact NE2-OG 3.45Å; Q148-S209 PolarHBondContact OE1-OG 3.41Å; S209-K211 PolarHBondContact O-N 2.92Å; S209-K211 VanDerWaalsContact O-N 3.16Å; S209-F212 PolarHBondContact O-N 2.98Å; S209-F212 WeakPolarHBondContact OG-CB 3.46Å; S209-F212 PolarHBondContact OG-N 2.98Å; S209-L213 WeakPolarHBondContact O-CG 3.48Å; S209-L213 PolarHBondContact O-N 2.93Å
210	E	96.4	Very high	96.9	Very high	132 Å²	132	43.1 Å²	43.1	62%	0.617	23%	0.229	S	C	*	.	H	α-helix	trans	-52.4	-39.1	175	-66.7	-177.1	168	0	0	112.6	F212 L213 N214	E210-F212 PolarHBondContact O-N 3.43Å; E210-L213 PolarHBondContact O-N 3.15Å; E210-N214 WeakPolarHBondContact O-CB 3.41Å; E210-N214 VanDerWaalsContact O-CG 3.25Å; E210-N214 PolarHBondContact O-N 3.34Å; E210-N214 PolarHBondContact O-ND2 2.83Å
211	K	96.7	Very high	96.8	Very high	88 Å²	88	41.2 Å²	41.2	38%	0.383	22%	0.219	S	C	.	.	H	α-helix	trans	-58.2	-47.7	176.9	-173.2	179.3	-178.9	-178.6	0	112.3	R144 Y145 S209 N214 E215	R144-K211 VanDerWaalsContact NH2-CE 3.3Å; Y145-K211 HydrophobicContact CE1-CG 4.3Å; S209-K211 PolarHBondContact O-N 2.92Å; S209-K211 VanDerWaalsContact O-N 3.16Å; K211-N214 PolarHBondContact O-N 3.17Å; K211-E215 WeakPolarHBondContact CE-OE2 3.37Å; K211-E215 HydrophobicContact CG-CG 4.33Å; K211-E215 VanDerWaalsContact O-CB 3.24Å; K211-E215 WeakPolarHBondContact O-CB 3.41Å; K211-E215 WeakPolarHBondContact O-CG 3.38Å; K211-E215 PolarHBondContact O-N 2.77Å
212	F	97.4	Very high	96.8	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-66.1	-39.3	177.5	-178.8	-102.7	0	0	0	111.6	Y145 Q148 M152 F208 S209 E210 M216 I217	Y145-F212 HydrophobicContact CD1-CB 4.14Å; Y145-F212 AromaticContact CD1-CD2 3.92Å; Y145-F212 HydrophobicContact CD1-CD2 3.92Å; Y145-F212 HydrophobicContact CD2-CD2 4.18Å; Y145-F212 AromaticContact CG-CD2 3.71Å; Y145-F212 HydrophobicContact CG-CD2 3.71Å; Y145-F212 HydrophobicContact CG-CE2 4.45Å; Q148-F212 HydrophobicContact CB-CD1 4.09Å; Q148-F212 HydrophobicContact CB-CD2 3.9Å; Q148-F212 HydrophobicContact CB-CE1 4.24Å; Q148-F212 HydrophobicContact CB-CE2 4.06Å; Q148-F212 HydrophobicContact CB-CG 3.91Å; Q148-F212 HydrophobicContact CB-CZ 4.23Å; M152-F212 HydrophobicContact CB-CE1 4.12Å; M152-F212 HydrophobicContact CB-CZ 4.03Å; M152-F212 HydrophobicContact CE-CE1 3.92Å; M152-F212 HydrophobicContact CG-CE1 4.4Å; M152-F212 HydrophobicContact CG-CZ 4.44Å; F208-F212 AromaticContact CD1-CD1 3.69Å; F208-F212 HydrophobicContact CD1-CD1 3.69Å; F208-F212 AromaticContact CD1-CE1 3.75Å; F208-F212 HydrophobicContact CD1-CE1 3.75Å; F208-F212 HydrophobicContact CE1-CD1 4.38Å; F208-F212 AromaticContact CE1-CE1 3.98Å; F208-F212 HydrophobicContact CE1-CE1 3.98Å; S209-F212 PolarHBondContact O-N 2.98Å; S209-F212 WeakPolarHBondContact OG-CB 3.46Å; S209-F212 PolarHBondContact OG-N 2.98Å; E210-F212 PolarHBondContact O-N 3.43Å; F212-M216 HydrophobicContact CD2-CB 3.97Å; F212-M216 HydrophobicContact CD2-CG 3.68Å; F212-M216 HydrophobicContact CE2-CB 3.83Å; F212-M216 HydrophobicContact CE2-CG 3.71Å; F212-M216 HydrophobicContact CG-CB 4.49Å; F212-M216 HydrophobicContact CZ-CB 4.22Å; F212-M216 WeakPolarHBondContact O-CA 3.44Å; F212-M216 VanDerWaalsContact O-CB 3.31Å; F212-M216 WeakPolarHBondContact O-CB 3.42Å; F212-M216 PolarHBondContact O-N 3.11Å; F212-I217 HydrophobicContact CD1-CD1 4.38Å; F212-I217 HydrophobicContact CD1-CG1 4.09Å; F212-I217 HydrophobicContact CE1-CD1 3.7Å; F212-I217 HydrophobicContact CE1-CG1 3.91Å; F212-I217 HydrophobicContact CZ-CD1 4.16Å; F212-I217 PolarHBondContact O-N 2.81Å
213	L	97.5	Very high	96.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-63.2	-44.9	177.8	-60.7	176.1	0	0	0	111.4	L200 L203 Q204 F208 S209 E210 I217 A218	L200-L213 HydrophobicContact CD1-CD1 3.83Å; L203-L213 HydrophobicContact CB-CD1 4.44Å; L203-L213 HydrophobicContact CB-CD2 3.66Å; L203-L213 HydrophobicContact CD1-CD2 3.59Å; L203-L213 HydrophobicContact CG-CD2 4.3Å; Q204-L213 HydrophobicContact CG-CD1 3.62Å; F208-L213 HydrophobicContact CB-CD1 4.36Å; F208-L213 HydrophobicContact CB-CD2 3.84Å; F208-L213 HydrophobicContact CB-CG 4.17Å; S209-L213 WeakPolarHBondContact O-CG 3.48Å; S209-L213 PolarHBondContact O-N 2.93Å; E210-L213 PolarHBondContact O-N 3.15Å; L213-I217 HydrophobicContact CD2-CB 4.38Å; L213-I217 HydrophobicContact CD2-CG1 3.91Å; L213-I217 CarbonylContact O-C 3.5Å; L213-I217 WeakPolarHBondContact O-CA 3.49Å; L213-I217 WeakPolarHBondContact O-CB 3.13Å; L213-I217 PolarHBondContact O-N 3.5Å; L213-I217 VanDerWaalsContact O-N 3.16Å; L213-A218 PolarHBondContact O-N 3.21Å
214	N	96.4	Very high	96.5	Very high	83 Å²	83	40.1 Å²	40.1	44%	0.444	21%	0.214	S	C	.	.	I	π-helix	trans	-74.3	-39.9	-179.3	-67.7	-15.5	0	0	0	113.1	E210 K211 P219	E210-N214 WeakPolarHBondContact O-CB 3.41Å; E210-N214 VanDerWaalsContact O-CG 3.25Å; E210-N214 PolarHBondContact O-N 3.34Å; E210-N214 PolarHBondContact O-ND2 2.83Å; K211-N214 PolarHBondContact O-N 3.17Å; N214-P219 WeakPolarHBondContact O-CD 3.5Å
215	E	96.4	Very high	96.4	Very high	29 Å²	29	36.8 Å²	36.8	14%	0.136	20%	0.198	C	C	.	.	I	π-helix	trans	-91.2	-20.7	-173.6	-62.3	-178.3	169.3	0	0	113.6	I120 V127 R144 Y145 K211	I120-E215 WeakPolarHBondContact CD1-O 3.19Å; I120-E215 WeakPolarHBondContact CG2-O 3.35Å; V127-E215 HydrophobicContact CB-CG 4.36Å; V127-E215 HydrophobicContact CG2-CB 4.17Å; V127-E215 HydrophobicContact CG2-CG 4.04Å; R144-E215 IonicContact CZ-OE1 3.43Å; R144-E215 IonicContact CZ-OE2 3.77Å; R144-E215 IonicContact NE-OE2 2.72Å; R144-E215 PolarHBondContact NE-OE2 3.31Å; R144-E215 IonicContact NH2-OE1 2.65Å; R144-E215 PolarHBondContact NH2-OE1 3.25Å; R144-E215 IonicContact NH2-OE2 2.73Å; R144-E215 PolarHBondContact NH2-OE2 2.9Å; Y145-E215 HydrophobicContact CE1-CB 4.14Å; Y145-E215 VanDerWaalsContact CE1-OE2 3.27Å; Y145-E215 WeakPolarHBondContact CE1-OE2 3.31Å; Y145-E215 WeakPolarHBondContact OH-CB 3.47Å; Y145-E215 PolarHBondContact OH-OE2 3.24Å; K211-E215 WeakPolarHBondContact CE-OE2 3.37Å; K211-E215 HydrophobicContact CG-CG 4.33Å; K211-E215 VanDerWaalsContact O-CB 3.24Å; K211-E215 WeakPolarHBondContact O-CB 3.41Å; K211-E215 WeakPolarHBondContact O-CG 3.38Å; K211-E215 PolarHBondContact O-N 2.77Å
216	M	95.8	Very high	96.4	Very high	32 Å²	32	30.4 Å²	30.4	16%	0.158	17%	0.173	C	C	.	.	I	π-helix	trans	-120.8	-40.4	-179.1	-59.7	-59.1	-54.7	0	0	113.3	I120 F128 L141 Y145 F212 V220	I120-M216 HydrophobicContact CD1-CE 4.01Å; I120-M216 HydrophobicContact CD1-SD 3.63Å; F128-M216 HydrophobicContact CB-SD 4.39Å; F128-M216 HydrophobicContact CD1-CE 4.45Å; F128-M216 HydrophobicContact CD1-SD 4.34Å; F128-M216 HydrophobicContact CD2-SD 4.47Å; F128-M216 HydrophobicContact CG-SD 4.14Å; L141-M216 HydrophobicContact CD2-CE 4.31Å; Y145-M216 HydrophobicContact CD2-CG 4.25Å; Y145-M216 HydrophobicContact CE1-CG 4.25Å; Y145-M216 HydrophobicContact CE2-CG 3.7Å; Y145-M216 HydrophobicContact CE2-SD 3.62Å; F212-M216 HydrophobicContact CD2-CB 3.97Å; F212-M216 HydrophobicContact CD2-CG 3.68Å; F212-M216 HydrophobicContact CE2-CB 3.83Å; F212-M216 HydrophobicContact CE2-CG 3.71Å; F212-M216 HydrophobicContact CG-CB 4.49Å; F212-M216 HydrophobicContact CZ-CB 4.22Å; F212-M216 WeakPolarHBondContact O-CA 3.44Å; F212-M216 VanDerWaalsContact O-CB 3.31Å; F212-M216 WeakPolarHBondContact O-CB 3.42Å; F212-M216 PolarHBondContact O-N 3.11Å; M216-V220 WeakPolarHBondContact O-CG2 3.45Å
217	I	97.4	Very high	96.4	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.015	16%	0.161	C	C	.	.	I	π-helix	trans	-86.1	-47	-173.1	-53.4	-54.4	0	0	0	112.2	M152 L199 L203 F212 L213 V220 M221 T229 L240	M152-I217 HydrophobicContact CE-CD1 3.65Å; M152-I217 HydrophobicContact CE-CG1 4.14Å; M152-I217 HydrophobicContact CG-CD1 4.12Å; M152-I217 HydrophobicContact SD-CD1 4.24Å; L199-I217 HydrophobicContact CD2-CG2 3.7Å; L203-I217 HydrophobicContact CD1-CG1 4.38Å; L203-I217 HydrophobicContact CD1-CG2 4.1Å; F212-I217 HydrophobicContact CD1-CD1 4.38Å; F212-I217 HydrophobicContact CD1-CG1 4.09Å; F212-I217 HydrophobicContact CE1-CD1 3.7Å; F212-I217 HydrophobicContact CE1-CG1 3.91Å; F212-I217 HydrophobicContact CZ-CD1 4.16Å; F212-I217 PolarHBondContact O-N 2.81Å; L213-I217 HydrophobicContact CD2-CB 4.38Å; L213-I217 HydrophobicContact CD2-CG1 3.91Å; L213-I217 CarbonylContact O-C 3.5Å; L213-I217 WeakPolarHBondContact O-CA 3.49Å; L213-I217 WeakPolarHBondContact O-CB 3.13Å; L213-I217 PolarHBondContact O-N 3.5Å; L213-I217 VanDerWaalsContact O-N 3.16Å; I217-V220 PolarHBondContact O-N 3.44Å; I217-V220 VanDerWaalsContact O-N 3.13Å; I217-M221 HydrophobicContact CG2-CE 4.22Å; I217-M221 WeakPolarHBondContact O-CG 3.36Å; I217-M221 PolarHBondContact O-N 3.15Å; I217-M221 VanDerWaalsContact O-N 3.09Å; I217-T229 HydrophobicContact CG2-CG2 4.08Å; I217-L240 HydrophobicContact CD1-CD1 4.5Å; I217-L240 HydrophobicContact CD1-CD2 3.65Å; I217-L240 HydrophobicContact CG2-CD2 4.43Å
218	A	97	Very high	96.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-57.8	-42.4	178.8	0	0	0	0	0	113.4	L213 V220 M221 R222 T229 D374	L213-A218 PolarHBondContact O-N 3.21Å; A218-V220 VanDerWaalsContact C-N 3.3Å; A218-V220 PolarHBondContact O-N 2.9Å; A218-M221 PolarHBondContact O-N 3.44Å; A218-R222 WeakPolarHBondContact O-CG 3.46Å; A218-R222 PolarHBondContact O-N 3.43Å; A218-T229 HydrophobicContact CB-CG2 4.1Å; A218-D374 HydrophobicContact CB-CB 4.3Å
219	P	97.1	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.5	-38.1	175	-23.3	33.4	0	0	0	113.5	I120 N214 R222 V223 L371 T372 T373	I120-P219 HydrophobicContact CD1-CG 4.42Å; I120-P219 HydrophobicContact CG2-CB 4.24Å; I120-P219 HydrophobicContact CG2-CG 3.63Å; N214-P219 WeakPolarHBondContact O-CD 3.5Å; P219-R222 PolarHBondContact O-N 3.27Å; P219-V223 WeakPolarHBondContact O-CG1 3.47Å; P219-V223 PolarHBondContact O-N 3.29Å; P219-L371 HydrophobicContact CB-CB 3.8Å; P219-L371 HydrophobicContact CB-CD1 4.26Å; P219-T372 WeakPolarHBondContact CA-O 3.29Å; P219-T373 HydrophobicContact CG-CG2 4.2Å
220	V	96.5	Very high	96.1	Very high	17 Å²	17	30.1 Å²	30.1	10%	0.103	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-41	176.5	179.5	0	0	0	0	110.7	M216 I217 A218 R222 V223 N224 S239 L240	M216-V220 WeakPolarHBondContact O-CG2 3.45Å; I217-V220 PolarHBondContact O-N 3.44Å; I217-V220 VanDerWaalsContact O-N 3.13Å; A218-V220 VanDerWaalsContact C-N 3.3Å; A218-V220 PolarHBondContact O-N 2.9Å; V220-R222 VanDerWaalsContact C-N 3.33Å; V220-R222 PolarHBondContact O-N 3.33Å; V220-V223 WeakPolarHBondContact O-CG1 3.45Å; V220-N224 WeakPolarHBondContact CG1-ND2 3.25Å; V220-N224 WeakPolarHBondContact O-CB 3.44Å; V220-N224 PolarHBondContact O-N 2.86Å; V220-N224 VanDerWaalsContact O-N 3.11Å; V220-N224 PolarHBondContact O-ND2 3.44Å; V220-S239 PolarHBondContact O-OG 2.71Å; V220-L240 HydrophobicContact CB-CD2 4.34Å; V220-L240 HydrophobicContact CG1-CD2 4.13Å
221	M	96.8	Very high	96.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64	-40.6	176.1	-60.5	-48.3	106.4	0	0	111.5	L199 I217 A218 Y225 G226 Q227 T229 I231 S239 L240	L199-M221 HydrophobicContact CD2-CE 4.09Å; L199-M221 HydrophobicContact CD2-CG 4.02Å; L199-M221 HydrophobicContact CD2-SD 3.65Å; I217-M221 HydrophobicContact CG2-CE 4.22Å; I217-M221 WeakPolarHBondContact O-CG 3.36Å; I217-M221 PolarHBondContact O-N 3.15Å; I217-M221 VanDerWaalsContact O-N 3.09Å; A218-M221 PolarHBondContact O-N 3.44Å; M221-Y225 CarbonylContact O-C 3.51Å; M221-Y225 WeakPolarHBondContact O-CA 3.43Å; M221-Y225 PolarHBondContact O-N 3.12Å; M221-G226 PolarHBondContact O-N 2.88Å; M221-G226 VanDerWaalsContact O-N 3.11Å; M221-Q227 CarbonylContact C-O 3.43Å; M221-Q227 VanDerWaalsContact CB-O 3.27Å; M221-Q227 WeakPolarHBondContact CB-O 3.4Å; M221-T229 HydrophobicContact CG-CG2 4.26Å; M221-I231 HydrophobicContact CG-CD1 4.12Å; M221-I231 HydrophobicContact SD-CD1 3.36Å; M221-I231 WeakPolarHBondContact SD-CD1 3.11Å; M221-I231 HydrophobicContact SD-CG1 4.38Å; M221-S239 VanDerWaalsContact CE-OG 3.23Å; M221-S239 WeakPolarHBondContact CE-OG 3.36Å; M221-L240 HydrophobicContact CE-CD1 4.46Å; M221-L240 HydrophobicContact CE-CD2 3.99Å; M221-L240 HydrophobicContact CE-CG 3.78Å
222	R	95.8	Very high	96.2	Very high	24 Å²	24	19.7 Å²	19.7	9%	0.091	11%	0.107	C	C	.	.	H	α-helix	trans	-68.1	-40	-179.1	-72.4	174.9	62.8	82.5	5.8	112.9	A218 P219 V220 G226 Q227 T372 T373 D374 I380 N381	A218-R222 WeakPolarHBondContact O-CG 3.46Å; A218-R222 PolarHBondContact O-N 3.43Å; P219-R222 PolarHBondContact O-N 3.27Å; V220-R222 VanDerWaalsContact C-N 3.33Å; V220-R222 PolarHBondContact O-N 3.33Å; R222-G226 WeakPolarHBondContact O-CA 3.43Å; R222-G226 PolarHBondContact O-N 3.31Å; R222-G226 VanDerWaalsContact O-N 3.13Å; R222-Q227 PolarHBondContact N-O 3.13Å; R222-T372 WeakPolarHBondContact CD-O 3.33Å; R222-T372 PolarHBondContact NE-O 2.84Å; R222-T372 PolarHBondContact NE-OG1 3.2Å; R222-T372 PolarHBondContact NH2-OG1 3.46Å; R222-T373 PolarHBondContact NE-O 3.44Å; R222-T373 VanDerWaalsContact NE-O 3.14Å; R222-D374 IonicContact CZ-OD1 2.75Å; R222-D374 IonicContact NH1-OD1 2.84Å; R222-D374 PolarHBondContact NH1-OD1 3.46Å; R222-I380 PolarHBondContact NH2-O 3.46Å; R222-N381 HydrophobicContact CB-CB 4.41Å; R222-N381 WeakPolarHBondContact O-CB 3.39Å; R222-N381 PolarHBondContact O-ND2 2.82Å
223	V	94.4	Very high	96.2	Very high	31 Å²	31	19.5 Å²	19.5	19%	0.188	11%	0.107	C	C	.	.	H	α-helix	trans	-72.8	-39.8	177.9	63.4	0	0	0	0	112.4	P219 V220 L371 S382 F408	P219-V223 WeakPolarHBondContact O-CG1 3.47Å; P219-V223 PolarHBondContact O-N 3.29Å; V220-V223 WeakPolarHBondContact O-CG1 3.45Å; V223-L371 HydrophobicContact CB-CD2 3.81Å; V223-L371 HydrophobicContact CG1-CD1 4.43Å; V223-L371 HydrophobicContact CG1-CD2 4.03Å; V223-L371 HydrophobicContact CG2-CD2 3.92Å; V223-S382 WeakPolarHBondContact CG2-OG 3.45Å; V223-F408 HydrophobicContact CG2-CD2 4.18Å; V223-F408 HydrophobicContact CG2-CE2 4.46Å
224	N	94.8	Very high	96.2	Very high	36 Å²	36	19.6 Å²	19.6	19%	0.193	11%	0.107	C	C	.	.	H	α-helix	trans	-85.4	-41.8	-174.3	-69.8	-27.7	0	0	0	112.9	V220 S239 Y436	V220-N224 WeakPolarHBondContact CG1-ND2 3.25Å; V220-N224 WeakPolarHBondContact O-CB 3.44Å; V220-N224 PolarHBondContact O-N 2.86Å; V220-N224 VanDerWaalsContact O-N 3.11Å; V220-N224 PolarHBondContact O-ND2 3.44Å; N224-S239 WeakPolarHBondContact CB-OG 3.34Å; N224-S239 PolarHBondContact ND2-O 2.76Å; N224-S239 PolarHBondContact ND2-OG 3Å; N224-Y436 WeakPolarHBondContact O-CE2 3.28Å; N224-Y436 PolarHBondContact O-OH 2.9Å
225	Y	95.3	Very high	96.2	Very high	8 Å²	8	15.6 Å²	15.6	3%	0.031	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-10.4	-173.4	-76.9	-78.5	0	0	0	114.5	M221 Q227 V235 Y436 Y439 S465	M221-Y225 CarbonylContact O-C 3.51Å; M221-Y225 WeakPolarHBondContact O-CA 3.43Å; M221-Y225 PolarHBondContact O-N 3.12Å; Y225-Q227 PolarHBondContact O-N 3.26Å; Y225-V235 HydrophobicContact CD1-CG1 3.84Å; Y225-V235 HydrophobicContact CD2-CG1 3.76Å; Y225-V235 HydrophobicContact CE1-CG1 3.66Å; Y225-V235 HydrophobicContact CE2-CG1 3.55Å; Y225-V235 HydrophobicContact CG-CG1 3.89Å; Y225-Y436 AromaticContact CD1-CD1 3.94Å; Y225-Y436 HydrophobicContact CD1-CD1 3.94Å; Y225-Y436 AromaticContact CD1-CD2 3.88Å; Y225-Y436 HydrophobicContact CD1-CD2 3.88Å; Y225-Y436 HydrophobicContact CD1-CE1 4.37Å; Y225-Y436 HydrophobicContact CD1-CE2 4.31Å; Y225-Y436 AromaticContact CD1-CG 3.65Å; Y225-Y436 HydrophobicContact CD1-CG 3.65Å; Y225-Y436 AromaticContact CE1-CD1 3.91Å; Y225-Y436 HydrophobicContact CE1-CD1 3.91Å; Y225-Y436 HydrophobicContact CE1-CE1 4.26Å; Y225-Y436 HydrophobicContact CE1-CG 4.09Å; Y225-Y436 WeakPolarHBondContact O-CD2 3.38Å; Y225-Y439 AromaticContact CD1-CE2 3.81Å; Y225-Y439 HydrophobicContact CD1-CE2 3.81Å; Y225-Y439 HydrophobicContact CE1-CE2 4.04Å; Y225-S465 PolarHBondContact OH-O 3.18Å
226	G	95	Very high	96.3	Very high	11 Å²	11	14.2 Å²	14.2	11%	0.113	8%	0.079	C	C	.	.	S	Bend	trans	65	20.6	-177.3	0	0	0	0	0	115	M221 R222 Q341 N381	M221-G226 PolarHBondContact O-N 2.88Å; M221-G226 VanDerWaalsContact O-N 3.11Å; R222-G226 WeakPolarHBondContact O-CA 3.43Å; R222-G226 PolarHBondContact O-N 3.31Å; R222-G226 VanDerWaalsContact O-N 3.13Å; G226-Q341 PolarHBondContact O-NE2 2.66Å; G226-N381 VanDerWaalsContact CA-ND2 3.31Å; G226-N381 WeakPolarHBondContact CA-ND2 3.09Å
227	Q	95.2	Very high	96.3	Very high	13 Å²	13	12.9 Å²	12.9	6%	0.061	7%	0.073	C	C	.	.	S	Bend	trans	-127.2	165.6	-176.3	-70.1	173.1	73.8	0	0	109.8	M221 R222 Y225 I231 Q341 P437	M221-Q227 CarbonylContact C-O 3.43Å; M221-Q227 VanDerWaalsContact CB-O 3.27Å; M221-Q227 WeakPolarHBondContact CB-O 3.4Å; R222-Q227 PolarHBondContact N-O 3.13Å; Y225-Q227 PolarHBondContact O-N 3.26Å; Q227-I231 HydrophobicContact CB-CG2 3.5Å; Q227-I231 HydrophobicContact CG-CG2 4.34Å; Q227-Q341 HydrophobicContact CG-CG 4.13Å; Q227-P437 PolarHBondContact NE2-O 3.13Å
228	S	94.5	Very high	96.2	Very high	23 Å²	23	13.9 Å²	13.9	16%	0.161	8%	0.079	C	C	.	.			trans	-78.4	-173.3	178.2	69.7	0	0	0	0	111.6	D230 I231 D374	S228-D230 PolarHBondContact O-N 3.2Å; S228-D230 VanDerWaalsContact OG-CB 3.29Å; S228-D230 WeakPolarHBondContact OG-CB 3.49Å; S228-D230 PolarHBondContact OG-N 3.45Å; S228-D230 VanDerWaalsContact OG-N 3.13Å; S228-D230 PolarHBondContact OG-OD2 3.1Å; S228-I231 WeakPolarHBondContact O-CG2 3.28Å; S228-D374 WeakPolarHBondContact CB-OD2 2.94Å
229	T	96.6	Very high	96.2	Very high	11 Å²	11	13.9 Å²	13.9	7%	0.067	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	4.7	170	51.3	0	0	0	0	114.1	L199 L200 I217 A218 M221 I231	L199-T229 HydrophobicContact CD2-CG2 4.5Å; L199-T229 PolarHBondContact N-O 3.2Å; L200-T229 PolarHBondContact N-O 2.7Å; I217-T229 HydrophobicContact CG2-CG2 4.08Å; A218-T229 HydrophobicContact CB-CG2 4.1Å; M221-T229 HydrophobicContact CG-CG2 4.26Å; T229-I231 VanDerWaalsContact C-N 3.26Å
230	D	95.9	Very high	96.1	Very high	86 Å²	86	14.4 Å²	14.4	46%	0.46	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-7.6	176.2	-58.2	-39.1	0	0	0	113.1	T198 S228 P441	T198-D230 WeakPolarHBondContact CG2-O 3.49Å; S228-D230 PolarHBondContact O-N 3.2Å; S228-D230 VanDerWaalsContact OG-CB 3.29Å; S228-D230 WeakPolarHBondContact OG-CB 3.49Å; S228-D230 PolarHBondContact OG-N 3.45Å; S228-D230 VanDerWaalsContact OG-N 3.13Å; S228-D230 PolarHBondContact OG-OD2 3.1Å; D230-P441 WeakPolarHBondContact O-CD 3.48Å
231	I	96.6	Very high	95.8	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.01	8%	0.08	C	C	.	.	S	Bend	trans	-58.8	160.4	170.1	65	173.3	0	0	0	111.2	T198 L199 M221 Q227 S228 T229 V235 Y439	T198-I231 CarbonylContact C-O 3.57Å; T198-I231 VanDerWaalsContact CA-O 3.27Å; T198-I231 WeakPolarHBondContact CA-O 3.15Å; L199-I231 HydrophobicContact CB-CG1 4.32Å; L199-I231 PolarHBondContact N-O 3.31Å; M221-I231 HydrophobicContact CG-CD1 4.12Å; M221-I231 HydrophobicContact SD-CD1 3.36Å; M221-I231 WeakPolarHBondContact SD-CD1 3.11Å; M221-I231 HydrophobicContact SD-CG1 4.38Å; Q227-I231 HydrophobicContact CB-CG2 3.5Å; Q227-I231 HydrophobicContact CG-CG2 4.34Å; S228-I231 WeakPolarHBondContact O-CG2 3.28Å; T229-I231 VanDerWaalsContact C-N 3.26Å; I231-V235 HydrophobicContact CD1-CB 4.01Å; I231-V235 HydrophobicContact CD1-CG1 3.73Å; I231-Y439 HydrophobicContact CB-CD2 4.49Å; I231-Y439 HydrophobicContact CG2-CD2 4.17Å
232	N	97	Very high	95.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-62.6	149.8	174	78.7	64.4	0	0	0	111.7	R197 F234 V235 G236 Y439 P441 E443	R197-N232 WeakPolarHBondContact O-CA 3.39Å; N232-F234 PolarHBondContact O-N 3.13Å; N232-F234 WeakPolarHBondContact OD1-CB 3.29Å; N232-F234 PolarHBondContact OD1-N 3.5Å; N232-F234 VanDerWaalsContact OD1-N 3.08Å; N232-V235 WeakPolarHBondContact ND2-CG2 3.44Å; N232-V235 PolarHBondContact O-N 3.5Å; N232-V235 WeakPolarHBondContact OD1-CG2 3.48Å; N232-V235 PolarHBondContact OD1-N 3.11Å; N232-G236 PolarHBondContact O-N 3.25Å; N232-G236 VanDerWaalsContact O-N 3.11Å; N232-Y439 WeakPolarHBondContact ND2-CD1 3.49Å; N232-P441 HydrophobicContact CB-CG 3.64Å; N232-E443 HydrophobicContact CB-CG 4.08Å
233	A	97.7	Very high	94.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.7	-24.8	-173.1	0	0	0	0	0	113.3	M194 R197 L199 T202 G236 A237	M194-A233 HydrophobicContact CB-CB 3.97Å; M194-A233 HydrophobicContact CE-CB 4.38Å; M194-A233 WeakPolarHBondContact CE-O 3.43Å; M194-A233 HydrophobicContact CG-CB 4.14Å; M194-A233 PolarHBondContact O-N 3.22Å; R197-A233 PolarHBondContact O-N 3.15Å; R197-A233 VanDerWaalsContact O-N 3.11Å; L199-A233 HydrophobicContact CD1-CB 4.42Å; T202-A233 HydrophobicContact CG2-CB 4.03Å; T202-A233 WeakPolarHBondContact OG1-CB 3.31Å; A233-G236 PolarHBondContact O-N 2.81Å; A233-A237 PolarHBondContact O-N 3.17Å
234	F	97.6	Very high	93.7	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-70.3	-46.6	178.1	-167.1	-89.1	0	0	0	111.3	F163 L183 F191 M194 L195 N232 G236 A237 V238 A463 A464 M469	F163-F234 AromaticContact CD2-CZ 3.92Å; F163-F234 HydrophobicContact CD2-CZ 3.92Å; F163-F234 HydrophobicContact CE2-CZ 4.08Å; L183-F234 HydrophobicContact CD2-CD2 4.48Å; L183-F234 HydrophobicContact CD2-CE1 4.02Å; L183-F234 HydrophobicContact CD2-CE2 3.82Å; L183-F234 HydrophobicContact CD2-CZ 3.55Å; F191-F234 HydrophobicContact CD1-CD2 4.43Å; F191-F234 HydrophobicContact CD1-CE2 4.26Å; F191-F234 HydrophobicContact CD2-CD2 4.36Å; F191-F234 AromaticContact CD2-CE2 3.62Å; F191-F234 HydrophobicContact CD2-CE2 3.62Å; F191-F234 HydrophobicContact CD2-CZ 4.47Å; F191-F234 HydrophobicContact CE1-CE2 4.31Å; F191-F234 AromaticContact CE2-CE2 3.69Å; F191-F234 HydrophobicContact CE2-CE2 3.69Å; F191-F234 HydrophobicContact CE2-CZ 4.39Å; F191-F234 HydrophobicContact CG-CD2 4.21Å; F191-F234 AromaticContact CG-CE2 3.91Å; F191-F234 HydrophobicContact CG-CE2 3.91Å; F191-F234 HydrophobicContact CZ-CE2 4.03Å; M194-F234 HydrophobicContact CB-CB 3.96Å; M194-F234 HydrophobicContact CE-CB 4.46Å; M194-F234 HydrophobicContact CE-CD2 4.36Å; M194-F234 HydrophobicContact SD-CD2 4.29Å; L195-F234 HydrophobicContact CD2-CB 4.1Å; N232-F234 PolarHBondContact O-N 3.13Å; N232-F234 WeakPolarHBondContact OD1-CB 3.29Å; N232-F234 PolarHBondContact OD1-N 3.5Å; N232-F234 VanDerWaalsContact OD1-N 3.08Å; F234-G236 PolarHBondContact O-N 3.11Å; F234-A237 PolarHBondContact O-N 2.85Å; F234-A237 VanDerWaalsContact O-N 3.16Å; F234-V238 HydrophobicContact CD1-CG2 4.21Å; F234-V238 HydrophobicContact CE1-CG2 3.94Å; F234-V238 WeakPolarHBondContact O-CG2 3.43Å; F234-V238 PolarHBondContact O-N 3.31Å; F234-A463 HydrophobicContact CD1-CB 4.34Å; F234-A463 WeakPolarHBondContact CD1-O 3.32Å; F234-A463 HydrophobicContact CE1-CB 4.5Å; F234-A464 HydrophobicContact CD1-CB 4.29Å; F234-A464 HydrophobicContact CE1-CB 4.38Å; F234-M469 HydrophobicContact CE1-CE 4.25Å
235	V	97.2	Very high	93.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.1	-40.9	169.9	-177.9	0	0	0	0	110.2	Y225 I231 N232 A237 V238 S239 Y439 A463 A464	Y225-V235 HydrophobicContact CD1-CG1 3.84Å; Y225-V235 HydrophobicContact CD2-CG1 3.76Å; Y225-V235 HydrophobicContact CE1-CG1 3.66Å; Y225-V235 HydrophobicContact CE2-CG1 3.55Å; Y225-V235 HydrophobicContact CG-CG1 3.89Å; I231-V235 HydrophobicContact CD1-CB 4.01Å; I231-V235 HydrophobicContact CD1-CG1 3.73Å; N232-V235 WeakPolarHBondContact ND2-CG2 3.44Å; N232-V235 PolarHBondContact O-N 3.5Å; N232-V235 WeakPolarHBondContact OD1-CG2 3.48Å; N232-V235 PolarHBondContact OD1-N 3.11Å; V235-A237 PolarHBondContact O-N 2.95Å; V235-V238 PolarHBondContact O-N 2.96Å; V235-S239 VanDerWaalsContact O-CB 3.32Å; V235-S239 WeakPolarHBondContact O-CB 3.27Å; V235-S239 PolarHBondContact O-N 2.75Å; V235-Y439 HydrophobicContact CB-CD2 4.49Å; V235-Y439 HydrophobicContact CB-CE2 4.47Å; V235-Y439 HydrophobicContact CG1-CD2 4.01Å; V235-Y439 HydrophobicContact CG1-CE2 3.77Å; V235-Y439 HydrophobicContact CG2-CD1 3.69Å; V235-Y439 HydrophobicContact CG2-CD2 3.99Å; V235-Y439 HydrophobicContact CG2-CE1 3.53Å; V235-Y439 HydrophobicContact CG2-CE2 3.85Å; V235-Y439 HydrophobicContact CG2-CG 3.91Å; V235-A463 WeakPolarHBondContact CG2-O 3.47Å; V235-A464 HydrophobicContact CG2-CB 4.39Å
236	G	97.4	Very high	92.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.7	-46.8	175.2	0	0	0	0	0	113.4	N232 A233 F234 S239 L240	N232-G236 PolarHBondContact O-N 3.25Å; N232-G236 VanDerWaalsContact O-N 3.11Å; A233-G236 PolarHBondContact O-N 2.81Å; F234-G236 PolarHBondContact O-N 3.11Å; G236-S239 WeakPolarHBondContact O-CB 3.5Å; G236-S239 PolarHBondContact O-N 3.14Å; G236-L240 WeakPolarHBondContact O-CB 3.49Å; G236-L240 WeakPolarHBondContact O-CD1 3.46Å; G236-L240 VanDerWaalsContact O-CG 3.24Å; G236-L240 WeakPolarHBondContact O-CG 3.39Å; G236-L240 PolarHBondContact O-N 3.25Å
237	A	97	Very high	92.5	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.025	16%	0.162	C	C	.	.	H	α-helix	trans	-62.6	-44.8	175.8	0	0	0	0	0	112.2	W155 V159 M194 A233 F234 V235 S239 L240 S241	W155-A237 HydrophobicContact CH2-CB 3.71Å; W155-A237 HydrophobicContact CZ3-CB 3.75Å; V159-A237 HydrophobicContact CB-CB 4.25Å; V159-A237 HydrophobicContact CG1-CB 3.82Å; V159-A237 HydrophobicContact CG2-CB 4.19Å; M194-A237 HydrophobicContact CE-CB 3.88Å; A233-A237 PolarHBondContact O-N 3.17Å; F234-A237 PolarHBondContact O-N 2.85Å; F234-A237 VanDerWaalsContact O-N 3.16Å; V235-A237 PolarHBondContact O-N 2.95Å; A237-S239 VanDerWaalsContact C-N 3.34Å; A237-S239 PolarHBondContact O-N 3.37Å; A237-L240 PolarHBondContact O-N 3.14Å; A237-S241 PolarHBondContact O-N 2.79Å; A237-S241 VanDerWaalsContact O-N 3.07Å
238	V	95.7	Very high	92.4	Very high	25 Å²	25	24.7 Å²	24.7	15%	0.152	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-45.1	176.1	173.3	0	0	0	0	110.9	F234 V235 L240 S241 A464 A466	F234-V238 HydrophobicContact CD1-CG2 4.21Å; F234-V238 HydrophobicContact CE1-CG2 3.94Å; F234-V238 WeakPolarHBondContact O-CG2 3.43Å; F234-V238 PolarHBondContact O-N 3.31Å; V235-V238 PolarHBondContact O-N 2.96Å; V238-L240 VanDerWaalsContact C-N 3.34Å; V238-L240 PolarHBondContact O-N 2.97Å; V238-S241 PolarHBondContact O-N 2.91Å; V238-S241 PolarHBondContact O-OG 2.81Å; V238-A464 HydrophobicContact CB-CB 4.04Å; V238-A464 HydrophobicContact CG1-CB 4.08Å; V238-A464 HydrophobicContact CG2-CB 3.73Å; V238-A466 HydrophobicContact CG1-CB 4.36Å
239	S	96	Very high	92.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-42.6	176.2	-173.9	0	0	0	0	112.5	V220 M221 N224 V235 G236 A237 S241 C242	V220-S239 PolarHBondContact O-OG 2.71Å; M221-S239 VanDerWaalsContact CE-OG 3.23Å; M221-S239 WeakPolarHBondContact CE-OG 3.36Å; N224-S239 WeakPolarHBondContact CB-OG 3.34Å; N224-S239 PolarHBondContact ND2-O 2.76Å; N224-S239 PolarHBondContact ND2-OG 3Å; V235-S239 VanDerWaalsContact O-CB 3.32Å; V235-S239 WeakPolarHBondContact O-CB 3.27Å; V235-S239 PolarHBondContact O-N 2.75Å; G236-S239 WeakPolarHBondContact O-CB 3.5Å; G236-S239 PolarHBondContact O-N 3.14Å; A237-S239 VanDerWaalsContact C-N 3.34Å; A237-S239 PolarHBondContact O-N 3.37Å; S239-S241 VanDerWaalsContact C-N 3.34Å; S239-S241 PolarHBondContact O-N 3.32Å; S239-C242 WeakPolarHBondContact O-CB 3.26Å; S239-C242 PolarHBondContact O-N 2.98Å
240	L	95.4	Very high	92.4	Very high	11 Å²	11	23.6 Å²	23.6	6%	0.058	16%	0.155	C	C	.	.	H	α-helix	trans	-69	-31.5	-179	-72.2	161.5	0	0	0	112.6	M152 W155 V156 I217 V220 M221 G236 A237 V238 C242 S243	M152-L240 HydrophobicContact CE-CD1 4.43Å; M152-L240 HydrophobicContact SD-CD1 3.6Å; M152-L240 VanDerWaalsContact SD-CD1 3.6Å; W155-L240 HydrophobicContact CE3-CD1 4.44Å; W155-L240 HydrophobicContact CZ3-CD1 3.86Å; V156-L240 HydrophobicContact CG2-CB 3.67Å; V156-L240 HydrophobicContact CG2-CD1 4.33Å; I217-L240 HydrophobicContact CD1-CD1 4.5Å; I217-L240 HydrophobicContact CD1-CD2 3.65Å; I217-L240 HydrophobicContact CG2-CD2 4.43Å; V220-L240 HydrophobicContact CB-CD2 4.34Å; V220-L240 HydrophobicContact CG1-CD2 4.13Å; M221-L240 HydrophobicContact CE-CD1 4.46Å; M221-L240 HydrophobicContact CE-CD2 3.99Å; M221-L240 HydrophobicContact CE-CG 3.78Å; G236-L240 WeakPolarHBondContact O-CB 3.49Å; G236-L240 WeakPolarHBondContact O-CD1 3.46Å; G236-L240 VanDerWaalsContact O-CG 3.24Å; G236-L240 WeakPolarHBondContact O-CG 3.39Å; G236-L240 PolarHBondContact O-N 3.25Å; A237-L240 PolarHBondContact O-N 3.14Å; V238-L240 VanDerWaalsContact C-N 3.34Å; V238-L240 PolarHBondContact O-N 2.97Å; L240-C242 PolarHBondContact O-N 3.04Å; L240-S243 WeakPolarHBondContact O-CB 3.28Å; L240-S243 PolarHBondContact O-N 3.38Å; L240-S243 PolarHBondContact O-OG 2.81Å
241	S	90.5	Very high	92.4	Very high	11 Å²	11	22 Å²	22	8%	0.077	15%	0.145	C	C	.	.	H	α-helix	trans	-61.8	-23.4	173.8	74.8	0	0	0	0	113.4	H93 A237 V238 S239 S243 D244	H93-S241 PolarHBondContact CD2-O 3.34Å; H93-S241 VanDerWaalsContact CD2-O 3.26Å; A237-S241 PolarHBondContact O-N 2.79Å; A237-S241 VanDerWaalsContact O-N 3.07Å; V238-S241 PolarHBondContact O-N 2.91Å; V238-S241 PolarHBondContact O-OG 2.81Å; S239-S241 VanDerWaalsContact C-N 3.34Å; S239-S241 PolarHBondContact O-N 3.32Å; S241-S243 PolarHBondContact O-N 2.83Å; S241-S243 VanDerWaalsContact O-N 3.13Å; S241-D244 WeakPolarHBondContact O-CB 3.46Å; S241-D244 PolarHBondContact O-N 3.39Å
242	C	82.5	Confident	92.3	Very high	44 Å²	44	22.6 Å²	22.6	30%	0.297	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	4.1	172.5	-63.7	0	0	0	0	113.5	S239 L240 L247	S239-C242 WeakPolarHBondContact O-CB 3.26Å; S239-C242 PolarHBondContact O-N 2.98Å; L240-C242 PolarHBondContact O-N 3.04Å; C242-L247 VanDerWaalsContact O-CD1 3.28Å; C242-L247 WeakPolarHBondContact O-CD1 3.41Å
243	S	80.6	Confident	92.2	Very high	75 Å²	75	22.6 Å²	22.6	52%	0.524	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	0	171.9	-50.3	0	0	0	0	112.7	L240 S241	L240-S243 WeakPolarHBondContact O-CB 3.28Å; L240-S243 PolarHBondContact O-N 3.38Å; L240-S243 PolarHBondContact O-OG 2.81Å; S241-S243 PolarHBondContact O-N 2.83Å; S241-S243 VanDerWaalsContact O-N 3.13Å
244	D	80.2	Confident	92.2	Very high	34 Å²	34	22.6 Å²	22.6	18%	0.182	15%	0.151	C	C	.	.	S	Bend	trans	-75.8	161.7	177.8	-69.8	-35	0	0	0	112.1	H93 H153 S241 L247	H93-D244 IonicContact NE2-OD2 2.63Å; H153-D244 IonicContact ND1-OD1 2.81Å; S241-D244 WeakPolarHBondContact O-CB 3.46Å; S241-D244 PolarHBondContact O-N 3.39Å; D244-L247 WeakPolarHBondContact O-CG 3.34Å
245	S	81.4	Confident	92.2	Very high	112 Å²	112	24.7 Å²	24.7	78%	0.783	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	153.1	179.3	63.1	0	0	0	0	112.8
246	G	85.7	Confident	92.3	Very high	37 Å²	37	27.6 Å²	27.6	38%	0.381	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	19.7	171.9	0	0	0	0	0	114.5	P94	P94-G246 WeakPolarHBondContact CG-O 3.44Å
247	L	91.6	Very high	92.3	Very high	29 Å²	29	27.6 Å²	27.6	15%	0.152	18%	0.175	C	C	.	.			trans	-58	142.1	169	-55.7	178.1	0	0	0	110.4	V91 I92 H93 Q112 A113 C242 D244	V91-L247 HydrophobicContact CB-CB 4.33Å; V91-L247 HydrophobicContact CB-CD1 4.4Å; V91-L247 HydrophobicContact CG2-CD1 4.33Å; I92-L247 WeakPolarHBondContact O-CA 3.38Å; H93-L247 HydrophobicContact CB-CD2 4.26Å; Q112-L247 PolarHBondContact OE1-O 2.86Å; A113-L247 HydrophobicContact CB-CB 3.87Å; A113-L247 WeakPolarHBondContact CB-O 3.12Å; A113-L247 PolarHBondContact N-O 2.75Å; C242-L247 VanDerWaalsContact O-CD1 3.28Å; C242-L247 WeakPolarHBondContact O-CD1 3.41Å; D244-L247 WeakPolarHBondContact O-CG 3.34Å
248	W	94.2	Very high	92.4	Very high	15 Å²	15	27.4 Å²	27.4	6%	0.057	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	166	-175.4	60.1	-83.8	0	0	0	111	I92 H93 M99 K100 V103 T110 V111 V250	I92-W248 WeakPolarHBondContact CA-O 3.4Å; I92-W248 HydrophobicContact CB-CD2 3.96Å; I92-W248 HydrophobicContact CB-CE3 4.24Å; I92-W248 HydrophobicContact CB-CG 4.5Å; I92-W248 HydrophobicContact CB-CH2 4.16Å; I92-W248 HydrophobicContact CB-CZ2 3.85Å; I92-W248 HydrophobicContact CB-CZ3 4.33Å; I92-W248 WeakPolarHBondContact CB-O 3.49Å; I92-W248 HydrophobicContact CD1-CE3 3.95Å; I92-W248 HydrophobicContact CD1-CH2 3.63Å; I92-W248 HydrophobicContact CD1-CZ2 4.23Å; I92-W248 HydrophobicContact CD1-CZ3 3.45Å; I92-W248 VanDerWaalsContact CD1-CZ3 3.45Å; I92-W248 HydrophobicContact CG1-CH2 4.48Å; I92-W248 HydrophobicContact CG1-CZ3 4.47Å; I92-W248 HydrophobicContact CG2-CD2 4.26Å; I92-W248 HydrophobicContact CG2-CH2 3.77Å; I92-W248 HydrophobicContact CG2-CZ2 3.24Å; I92-W248 HydrophobicContact CG2-CZ3 4.43Å; I92-W248 PolarHBondContact N-O 2.71Å; I92-W248 PolarHBondContact O-N 3.46Å; I92-W248 PolarHBondContact O-NE1 2.84Å; H93-W248 PolarHBondContact O-NE1 2.97Å; M99-W248 HydrophobicContact CB-CH2 4.25Å; M99-W248 HydrophobicContact CB-CZ2 4.38Å; K100-W248 HydrophobicContact CG-CH2 4.48Å; K100-W248 HydrophobicContact CG-CZ2 3.64Å; V103-W248 HydrophobicContact CB-CH2 4.48Å; V103-W248 HydrophobicContact CG2-CH2 3.9Å; V103-W248 HydrophobicContact CG2-CZ3 3.9Å; T110-W248 HydrophobicContact CG2-CD2 4.38Å; T110-W248 HydrophobicContact CG2-CE3 3.51Å; T110-W248 HydrophobicContact CG2-CZ3 3.6Å; V111-W248 CarbonylContact O-C 3.59Å; V111-W248 VanDerWaalsContact O-CA 3.31Å; V111-W248 WeakPolarHBondContact O-CA 3.18Å; V111-W248 WeakPolarHBondContact O-CB 3.33Å; W248-V250 HydrophobicContact CZ3-CG2 4.12Å
249	A	94.9	Very high	92.5	Very high	10 Å²	10	28.2 Å²	28.2	8%	0.083	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	167.4	175.1	0	0	0	0	0	110.2	T110 V111	T110-A249 CarbonylContact C-O 3.58Å; T110-A249 VanDerWaalsContact CA-O 3.27Å; T110-A249 WeakPolarHBondContact CA-O 3.37Å; V111-A249 HydrophobicContact CG2-CB 4.09Å; V111-A249 PolarHBondContact N-O 3.47Å; V111-A249 PolarHBondContact O-N 3.06Å
250	V	96.3	Very high	92.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	130.6	175	177.7	0	0	0	0	110	I92 V103 L108 W248 G252 G253 N254 L256 V257	I92-V250 HydrophobicContact CD1-CG2 4.26Å; V103-V250 HydrophobicContact CG2-CG2 3.64Å; L108-V250 HydrophobicContact CB-CG1 4.23Å; L108-V250 HydrophobicContact CD1-CG1 4.18Å; W248-V250 HydrophobicContact CZ3-CG2 4.12Å; V250-G252 PolarHBondContact O-N 2.82Å; V250-G253 WeakPolarHBondContact O-CA 3.47Å; V250-G253 PolarHBondContact O-N 2.87Å; V250-N254 PolarHBondContact N-OD1 2.8Å; V250-L256 HydrophobicContact CG1-CB 4.39Å; V250-V257 HydrophobicContact CG2-CG2 3.76Å
251	E	95.3	Very high	92.8	Very high	53 Å²	53	28.3 Å²	28.3	25%	0.248	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	124	171.4	-172.8	178.9	-179.3	0	0	109.4	S109 V111 G253 L256 V389 K392	S109-E251 WeakPolarHBondContact CB-OE2 3.47Å; S109-E251 PolarHBondContact O-N 3.34Å; V111-E251 HydrophobicContact CG1-CB 4.02Å; V111-E251 HydrophobicContact CG1-CG 4.29Å; E251-G253 VanDerWaalsContact C-N 3.35Å; E251-L256 WeakPolarHBondContact O-CD1 3.47Å; E251-V389 CarbonylContact C-O 3.43Å; E251-V389 WeakPolarHBondContact CA-O 3.35Å; E251-K392 VanDerWaalsContact CD-NZ 3.34Å; E251-K392 WeakPolarHBondContact OE1-CE 3.43Å; E251-K392 IonicContact OE1-NZ 3.44Å; E251-K392 PolarHBondContact OE1-NZ 2.93Å; E251-K392 VanDerWaalsContact OE1-NZ 3.12Å; E251-K392 WeakPolarHBondContact OE2-CE 3.19Å; E251-K392 IonicContact OE2-NZ 3.13Å; E251-K392 PolarHBondContact OE2-NZ 2.77Å
252	G	94.1	Very high	93.2	Very high	13 Å²	13	28.8 Å²	28.8	13%	0.134	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	-2.8	-172.8	0	0	0	0	0	114.8	V250 V389	V250-G252 PolarHBondContact O-N 2.82Å; G252-V389 PolarHBondContact N-O 2.98Å
253	G	95.9	Very high	93.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.205	C	C	.	.			trans	106.9	146.4	172	0	0	0	0	0	114	E86 V250 E251 K255 L256	E86-G253 WeakPolarHBondContact OE1-CA 3.5Å; V250-G253 WeakPolarHBondContact O-CA 3.47Å; V250-G253 PolarHBondContact O-N 2.87Å; E251-G253 VanDerWaalsContact C-N 3.35Å; G253-K255 PolarHBondContact O-N 3.41Å; G253-K255 VanDerWaalsContact O-N 3.11Å; G253-L256 WeakPolarHBondContact O-CB 3.48Å; G253-L256 WeakPolarHBondContact O-CG 3.4Å; G253-L256 PolarHBondContact O-N 2.96Å
254	N	97.5	Very high	94.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.9	-176.4	-65.5	-29.8	0	0	0	112.6	L75 E86 G89 S90 V250 L256 V257 M467	L75-N254 HydrophobicContact CD1-CB 4.38Å; L75-N254 HydrophobicContact CD2-CB 4.47Å; E86-N254 PolarHBondContact OE1-N 2.92Å; G89-N254 PolarHBondContact O-ND2 2.98Å; S90-N254 PolarHBondContact O-ND2 3.05Å; V250-N254 PolarHBondContact N-OD1 2.8Å; N254-L256 PolarHBondContact O-N 2.93Å; N254-L256 VanDerWaalsContact O-N 3.15Å; N254-V257 PolarHBondContact O-N 3.02Å; N254-V257 VanDerWaalsContact O-N 3.15Å; N254-M467 HydrophobicContact CB-SD 4.31Å
255	K	97.1	Very high	95.6	Very high	46 Å²	46	31 Å²	31	20%	0.2	19%	0.19	C	C	.	.	H	α-helix	trans	-56.3	-27.1	173.2	72.7	-180	178.5	-176.1	0	113.2	L75 T77 E84 G253 V257 C258 S259	L75-K255 HydrophobicContact CB-CB 4.34Å; L75-K255 VanDerWaalsContact O-CB 3.26Å; L75-K255 WeakPolarHBondContact O-CB 3.4Å; T77-K255 HydrophobicContact CG2-CD 4.28Å; T77-K255 WeakPolarHBondContact OG1-CE 3.33Å; T77-K255 PolarHBondContact OG1-NZ 3.26Å; E84-K255 IonicContact OE1-NZ 3.67Å; E84-K255 PolarHBondContact OE1-NZ 3.41Å; G253-K255 PolarHBondContact O-N 3.41Å; G253-K255 VanDerWaalsContact O-N 3.11Å; K255-V257 PolarHBondContact O-N 3.35Å; K255-C258 WeakPolarHBondContact O-CB 3.5Å; K255-C258 PolarHBondContact O-N 2.83Å; K255-C258 VanDerWaalsContact O-N 3.13Å; K255-S259 PolarHBondContact O-N 3Å
256	L	98.1	Very high	96.4	Very high	60 Å²	60	33.9 Å²	33.9	31%	0.314	19%	0.189	S	C	.	.	H	α-helix	trans	-64.3	-26.3	-179.8	-65.5	-179	0	0	0	112.9	L108 V250 E251 G253 N254 C258 S259 G260	L108-L256 HydrophobicContact CD1-CB 4.46Å; L108-L256 HydrophobicContact CD2-CB 4.46Å; V250-L256 HydrophobicContact CG1-CB 4.39Å; E251-L256 WeakPolarHBondContact O-CD1 3.47Å; G253-L256 WeakPolarHBondContact O-CB 3.48Å; G253-L256 WeakPolarHBondContact O-CG 3.4Å; G253-L256 PolarHBondContact O-N 2.96Å; N254-L256 PolarHBondContact O-N 2.93Å; N254-L256 VanDerWaalsContact O-N 3.15Å; L256-C258 VanDerWaalsContact C-N 3.35Å; L256-S259 PolarHBondContact O-N 3.43Å; L256-G260 PolarHBondContact O-N 3.26Å
257	V	98.6	Very high	97	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.9	-45.5	173.6	-177.1	0	0	0	0	110.2	I44 M99 F102 V103 L106 L108 V250 N254 K255 G260 L261	I44-V257 HydrophobicContact CD1-CB 4.45Å; I44-V257 HydrophobicContact CD1-CG1 3.82Å; M99-V257 HydrophobicContact CE-CB 4.21Å; M99-V257 HydrophobicContact CE-CG1 4.07Å; M99-V257 HydrophobicContact CE-CG2 3.86Å; M99-V257 HydrophobicContact SD-CG1 4.46Å; F102-V257 HydrophobicContact CB-CG1 3.77Å; F102-V257 HydrophobicContact CD2-CG1 4Å; F102-V257 HydrophobicContact CG-CG1 4.29Å; V103-V257 HydrophobicContact CG2-CG2 4.08Å; L106-V257 HydrophobicContact CD1-CG1 4.39Å; L108-V257 HydrophobicContact CD1-CG2 4.11Å; V250-V257 HydrophobicContact CG2-CG2 3.76Å; N254-V257 PolarHBondContact O-N 3.02Å; N254-V257 VanDerWaalsContact O-N 3.15Å; K255-V257 PolarHBondContact O-N 3.35Å; V257-G260 PolarHBondContact O-N 3.35Å; V257-L261 HydrophobicContact CG1-CD1 3.91Å; V257-L261 HydrophobicContact CG1-CG 4.26Å; V257-L261 WeakPolarHBondContact O-CB 3.5Å; V257-L261 VanDerWaalsContact O-CG 3.24Å; V257-L261 WeakPolarHBondContact O-CG 3.4Å; V257-L261 PolarHBondContact O-N 3.43Å
258	C	98.6	Very high	97.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.7	-48.3	179.4	-60	0	0	0	0	111.7	I44 T47 V71 K255 L256 G260 L261 L262	I44-C258 VanDerWaalsContact CA-SG 3.53Å; I44-C258 PolarHBondContact N-SG 3.29Å; I44-C258 VanDerWaalsContact N-SG 3.44Å; T47-C258 HydrophobicContact CG2-CB 4.12Å; T47-C258 WeakPolarHBondContact CG2-O 3.3Å; V71-C258 HydrophobicContact CG1-CB 3.93Å; K255-C258 WeakPolarHBondContact O-CB 3.5Å; K255-C258 PolarHBondContact O-N 2.83Å; K255-C258 VanDerWaalsContact O-N 3.13Å; L256-C258 VanDerWaalsContact C-N 3.35Å; C258-G260 VanDerWaalsContact C-N 3.35Å; C258-G260 PolarHBondContact O-N 2.97Å; C258-L261 PolarHBondContact O-N 3.24Å; C258-L262 WeakPolarHBondContact O-CB 3.47Å; C258-L262 PolarHBondContact O-N 3Å
259	S	98.3	Very high	97.5	Very high	42 Å²	42	37.5 Å²	37.5	29%	0.294	20%	0.201	S	C	.	.	H	α-helix	trans	-63.6	-39.7	178.1	-61.5	0	0	0	0	112.4	K255 L256 Q263	K255-S259 PolarHBondContact O-N 3Å; L256-S259 PolarHBondContact O-N 3.43Å; S259-Q263 WeakPolarHBondContact O-CG 3.45Å; S259-Q263 PolarHBondContact O-N 2.97Å; S259-Q263 VanDerWaalsContact O-N 3.14Å
260	G	98.6	Very high	97.7	Very high	13 Å²	13	37.8 Å²	37.8	13%	0.134	20%	0.201	C	C	.	.	H	α-helix	trans	-65.9	-43.4	176	0	0	0	0	0	112.6	L106 L256 V257 C258 L262 Q263 A264	L106-G260 VanDerWaalsContact CD2-C 3.41Å; L106-G260 WeakPolarHBondContact CD2-O 3.48Å; L256-G260 PolarHBondContact O-N 3.26Å; V257-G260 PolarHBondContact O-N 3.35Å; C258-G260 VanDerWaalsContact C-N 3.35Å; C258-G260 PolarHBondContact O-N 2.97Å; G260-L262 PolarHBondContact O-N 3.12Å; G260-Q263 PolarHBondContact O-N 3Å; G260-A264 WeakPolarHBondContact O-CB 3.27Å; G260-A264 PolarHBondContact O-N 3.19Å
261	L	98.8	Very high	97.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.4	-41	176.8	-71.3	174.5	0	0	0	112.2	I44 Y51 F102 L106 V257 C258 Q263 A264 S265	I44-L261 HydrophobicContact CD1-CD1 4.03Å; Y51-L261 HydrophobicContact CD1-CD2 4.19Å; Y51-L261 HydrophobicContact CD2-CD2 3.7Å; Y51-L261 HydrophobicContact CE2-CD2 4.22Å; Y51-L261 HydrophobicContact CG-CD2 3.68Å; F102-L261 HydrophobicContact CB-CD2 4.26Å; F102-L261 HydrophobicContact CD1-CD1 4.41Å; F102-L261 HydrophobicContact CD1-CD2 3.69Å; F102-L261 HydrophobicContact CD2-CD1 3.88Å; F102-L261 HydrophobicContact CE1-CD2 4.1Å; F102-L261 HydrophobicContact CE2-CD1 4Å; F102-L261 HydrophobicContact CG-CD1 4.08Å; F102-L261 HydrophobicContact CG-CD2 3.94Å; F102-L261 HydrophobicContact CG-CG 4.46Å; F102-L261 HydrophobicContact CZ-CD1 4.33Å; L106-L261 HydrophobicContact CD1-CD2 4.31Å; L106-L261 HydrophobicContact CD1-CG 4.2Å; V257-L261 HydrophobicContact CG1-CD1 3.91Å; V257-L261 HydrophobicContact CG1-CG 4.26Å; V257-L261 WeakPolarHBondContact O-CB 3.5Å; V257-L261 VanDerWaalsContact O-CG 3.24Å; V257-L261 WeakPolarHBondContact O-CG 3.4Å; V257-L261 PolarHBondContact O-N 3.43Å; C258-L261 PolarHBondContact O-N 3.24Å; L261-Q263 VanDerWaalsContact C-N 3.33Å; L261-Q263 PolarHBondContact O-N 3.5Å; L261-A264 PolarHBondContact O-N 3.45Å; L261-S265 WeakPolarHBondContact O-CB 3.46Å; L261-S265 PolarHBondContact O-N 3.17Å; L261-S265 PolarHBondContact O-OG 3.07Å
262	L	98.6	Very high	97.7	Very high	20 Å²	20	39.3 Å²	39.3	11%	0.105	22%	0.219	C	C	.	.	H	α-helix	trans	-58	-44	173.3	171.5	57.5	0	0	0	112	T47 L65 V71 C258 G260 S265 K266 S267 L269	T47-L262 HydrophobicContact CG2-CB 4.26Å; L65-L262 HydrophobicContact CD2-CD1 3.76Å; V71-L262 HydrophobicContact CG1-CD2 4.27Å; V71-L262 HydrophobicContact CG2-CD2 3.92Å; C258-L262 WeakPolarHBondContact O-CB 3.47Å; C258-L262 PolarHBondContact O-N 3Å; G260-L262 PolarHBondContact O-N 3.12Å; L262-S265 PolarHBondContact O-OG 3.01Å; L262-K266 PolarHBondContact O-N 3.25Å; L262-S267 PolarHBondContact O-N 3.3Å; L262-L269 HydrophobicContact CD1-CB 4.5Å; L262-L269 HydrophobicContact CD2-CB 4.2Å; L262-L269 HydrophobicContact CD2-CD1 4.17Å; L262-L269 HydrophobicContact CD2-CD2 4.13Å; L262-L269 HydrophobicContact CD2-CG 4.4Å
263	Q	98.3	Very high	97.8	Very high	151 Å²	151	40.4 Å²	40.4	71%	0.706	23%	0.225	S	C	*	.	H	α-helix	trans	-68.3	-45.1	176.7	-70.7	175.1	1.9	0	0	111.8	S259 G260 L261 S265 K266	S259-Q263 WeakPolarHBondContact O-CG 3.45Å; S259-Q263 PolarHBondContact O-N 2.97Å; S259-Q263 VanDerWaalsContact O-N 3.14Å; G260-Q263 PolarHBondContact O-N 3Å; L261-Q263 VanDerWaalsContact C-N 3.33Å; L261-Q263 PolarHBondContact O-N 3.5Å; Q263-S265 VanDerWaalsContact C-N 3.31Å; Q263-S265 PolarHBondContact O-N 3.33Å; Q263-K266 PolarHBondContact O-N 3.46Å
264	A	98.3	Very high	97.9	Very high	48 Å²	48	40.6 Å²	40.6	40%	0.397	23%	0.226	S	C	.	.	H	α-helix	trans	-63.4	-36.3	-179.5	0	0	0	0	0	112.3	Y51 L106 G260 L261 K266	Y51-A264 HydrophobicContact CD2-CB 4.02Å; Y51-A264 HydrophobicContact CE2-CB 4.13Å; L106-A264 HydrophobicContact CD2-CB 3.98Å; G260-A264 WeakPolarHBondContact O-CB 3.27Å; G260-A264 PolarHBondContact O-N 3.19Å; L261-A264 PolarHBondContact O-N 3.45Å; A264-K266 PolarHBondContact O-N 3.32Å
265	S	98.1	Very high	97.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12	175.2	71.1	0	0	0	0	113.2	R54 L261 L262 Q263 S267	R54-S265 PolarHBondContact NE-O 2.76Å; R54-S265 PolarHBondContact NH2-O 3.49Å; L261-S265 WeakPolarHBondContact O-CB 3.46Å; L261-S265 PolarHBondContact O-N 3.17Å; L261-S265 PolarHBondContact O-OG 3.07Å; L262-S265 PolarHBondContact O-OG 3.01Å; Q263-S265 VanDerWaalsContact C-N 3.31Å; Q263-S265 PolarHBondContact O-N 3.33Å; S265-S267 WeakPolarHBondContact CB-OG 3.39Å; S265-S267 PolarHBondContact O-N 2.96Å; S265-S267 WeakPolarHBondContact OG-CB 3.33Å; S265-S267 PolarHBondContact OG-N 3.46Å; S265-S267 PolarHBondContact OG-OG 3.07Å
266	K	98	Very high	97.8	Very high	173 Å²	173	45.4 Å²	45.4	75%	0.752	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	39.2	-171.6	-56.7	-179	-179	-179.4	0	111.5	L262 Q263 A264	L262-K266 PolarHBondContact O-N 3.25Å; Q263-K266 PolarHBondContact O-N 3.46Å; A264-K266 PolarHBondContact O-N 3.32Å
267	S	97.8	Very high	97.8	Very high	16 Å²	16	42.6 Å²	42.6	11%	0.112	23%	0.232	C	C	.	.			trans	-80.4	147.8	177.9	-61	0	0	0	0	110	I63 L262 S265	I63-S267 WeakPolarHBondContact CB-OG 3.13Å; I63-S267 VanDerWaalsContact CG2-OG 3.31Å; I63-S267 WeakPolarHBondContact CG2-OG 3.37Å; I63-S267 WeakPolarHBondContact O-CA 3.39Å; I63-S267 WeakPolarHBondContact O-CB 3.48Å; L262-S267 PolarHBondContact O-N 3.3Å; S265-S267 WeakPolarHBondContact CB-OG 3.39Å; S265-S267 PolarHBondContact O-N 2.96Å; S265-S267 WeakPolarHBondContact OG-CB 3.33Å; S265-S267 PolarHBondContact OG-N 3.46Å; S265-S267 PolarHBondContact OG-OG 3.07Å
268	N	98.3	Very high	97.7	Very high	78 Å²	78	43.7 Å²	43.7	42%	0.417	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	115.2	175.4	172.4	53.3	0	0	0	108.9	I63 D64 L65	I63-N268 PolarHBondContact O-N 3.16Å; D64-N268 WeakPolarHBondContact CA-O 3.32Å; D64-N268 VanDerWaalsContact OD1-CB 3.31Å; D64-N268 WeakPolarHBondContact OD1-CB 3.47Å; D64-N268 PolarHBondContact OD1-ND2 3.31Å; L65-N268 PolarHBondContact N-O 2.92Å
269	L	98.5	Very high	97.5	Very high	63 Å²	63	46 Å²	46	33%	0.33	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	123.9	177	-177.9	68.1	0	0	0	109.5	A42 L65 E67 V71 L262	A42-L269 HydrophobicContact CB-CD1 4.28Å; L65-L269 HydrophobicContact CD2-CD1 4.49Å; L65-L269 WeakPolarHBondContact O-CA 3.25Å; E67-L269 HydrophobicContact CB-CD1 3.93Å; V71-L269 HydrophobicContact CG2-CD1 3.89Å; V71-L269 HydrophobicContact CG2-CD2 3.71Å; V71-L269 HydrophobicContact CG2-CG 4.49Å; L262-L269 HydrophobicContact CD1-CB 4.5Å; L262-L269 HydrophobicContact CD2-CB 4.2Å; L262-L269 HydrophobicContact CD2-CD1 4.17Å; L262-L269 HydrophobicContact CD2-CD2 4.13Å; L262-L269 HydrophobicContact CD2-CG 4.4Å
270	I	98.3	Very high	97.2	Very high	16 Å²	16	47.1 Å²	47.1	8%	0.082	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	107.2	173.2	-59	179.4	0	0	0	107.7	D64 L65 F66 E67 G272 Y297 I299	D64-I270 HydrophobicContact CB-CD1 3.78Å; D64-I270 HydrophobicContact CB-CG1 4.49Å; L65-I270 PolarHBondContact O-N 3.19Å; F66-I270 WeakPolarHBondContact CA-O 3.36Å; F66-I270 HydrophobicContact CD1-CB 3.77Å; F66-I270 HydrophobicContact CD1-CD1 4.25Å; F66-I270 HydrophobicContact CD1-CG2 3.72Å; F66-I270 HydrophobicContact CE1-CB 3.97Å; F66-I270 HydrophobicContact CE1-CD1 3.61Å; F66-I270 HydrophobicContact CE1-CG1 4.38Å; F66-I270 HydrophobicContact CE1-CG2 3.76Å; F66-I270 HydrophobicContact CG-CB 4.48Å; F66-I270 HydrophobicContact CZ-CD1 3.81Å; E67-I270 PolarHBondContact N-O 3.29Å; I270-G272 VanDerWaalsContact C-N 3.34Å; I270-G272 PolarHBondContact O-N 3.34Å; I270-Y297 HydrophobicContact CG2-CD2 4.12Å; I270-Y297 HydrophobicContact CG2-CE2 3.82Å; I270-I299 HydrophobicContact CG2-CD1 3.94Å; I270-I299 HydrophobicContact CG2-CG1 4.47Å
271	S	97.3	Very high	96.5	Very high	80 Å²	80	50.7 Å²	50.7	56%	0.559	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	83.5	175.8	-62.7	0	0	0	0	110.6	E67	E67-S271 CarbonylContact O-C 3.55Å; E67-S271 WeakPolarHBondContact O-CA 3.03Å
272	G	95.6	Very high	95.3	Very high	7 Å²	7	55.7 Å²	55.7	7%	0.072	29%	0.289	C	S	.	.	S	Bend	trans	-164.7	160.2	-176.5	0	0	0	0	0	113.3	E67 I270 Q298	E67-G272 CarbonylContact C-O 3.6Å; E67-G272 PolarHBondContact O-N 2.89Å; I270-G272 VanDerWaalsContact C-N 3.34Å; I270-G272 PolarHBondContact O-N 3.34Å; G272-Q298 CarbonylContact C-O 3.52Å; G272-Q298 WeakPolarHBondContact CA-O 3.43Å
273	S	96.2	Very high	93.7	Very high	35 Å²	35	60 Å²	60	25%	0.245	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.9	179.3	-168.9	0	0	0	0	110.6	Y297 Q298	S273-Y297 CarbonylContact O-C 3.56Å; S273-Y297 WeakPolarHBondContact O-CA 3.38Å; S273-Y297 WeakPolarHBondContact O-CB 3.36Å; S273-Q298 PolarHBondContact N-O 2.67Å; S273-Q298 PolarHBondContact O-N 3.06Å
274	V	97.6	Very high	91.8	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.03	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.8	171	178	0	0	0	0	109.3	I40 F66 I277 V295 I324	I40-V274 HydrophobicContact CD1-CB 4.21Å; I40-V274 HydrophobicContact CD1-CG1 3.94Å; I40-V274 HydrophobicContact CD1-CG2 3.96Å; I40-V274 HydrophobicContact CG1-CG2 3.99Å; I40-V274 HydrophobicContact CG2-CB 4.09Å; I40-V274 HydrophobicContact CG2-CG2 3.84Å; F66-V274 HydrophobicContact CB-CG2 3.95Å; F66-V274 HydrophobicContact CD1-CG2 4.04Å; F66-V274 HydrophobicContact CD2-CG2 4.2Å; F66-V274 HydrophobicContact CG-CG2 3.8Å; V274-I277 HydrophobicContact CG1-CG1 4.11Å; V274-V295 HydrophobicContact CB-CG1 4.44Å; V274-V295 HydrophobicContact CG1-CG1 3.71Å; V274-V295 HydrophobicContact CG2-CG1 3.86Å; V274-I324 HydrophobicContact CB-CD1 4.4Å; V274-I324 HydrophobicContact CB-CG1 4.43Å; V274-I324 HydrophobicContact CG1-CD1 4.48Å; V274-I324 HydrophobicContact CG1-CG1 4.41Å; V274-I324 HydrophobicContact CG1-CG2 4.3Å
275	M	96.3	Very high	89.7	Confident	66 Å²	66	65 Å²	65	33%	0.325	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-46.7	-176.1	-62.5	-59.1	-65.8	0	0	111.4	V296 Q298 T325	M275-V296 PolarHBondContact N-O 3.19Å; M275-Q298 HydrophobicContact CG-CB 4.32Å; M275-T325 PolarHBondContact O-N 2.78Å
276	Y	95.5	Very high	87.3	Confident	81 Å²	81	71.2 Å²	71.2	32%	0.318	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	155.6	176.7	56.3	-89.8	0	0	0	113	V296 T325 L327	Y276-V296 HydrophobicContact CD1-CB 3.94Å; Y276-V296 HydrophobicContact CD1-CG1 4.23Å; Y276-V296 HydrophobicContact CD2-CB 3.81Å; Y276-V296 HydrophobicContact CD2-CG2 3.66Å; Y276-V296 HydrophobicContact CE1-CB 3.58Å; Y276-V296 HydrophobicContact CE1-CG1 3.49Å; Y276-V296 VanDerWaalsContact CE1-CG1 3.49Å; Y276-V296 HydrophobicContact CE1-CG2 4.07Å; Y276-V296 HydrophobicContact CE2-CB 3.47Å; Y276-V296 VanDerWaalsContact CE2-CB 3.47Å; Y276-V296 HydrophobicContact CE2-CG1 4.11Å; Y276-V296 HydrophobicContact CE2-CG2 3.04Å; Y276-V296 HydrophobicContact CG-CB 4.05Å; Y276-V296 HydrophobicContact CG-CG2 4.41Å; Y276-V296 VanDerWaalsContact CZ-CG1 3.43Å; Y276-V296 PolarHBondContact N-O 2.05Å; Y276-V296 PolarHBondContact O-N 3.16Å; Y276-V296 WeakPolarHBondContact OH-CG1 3.47Å; Y276-V296 WeakPolarHBondContact OH-CG2 3.33Å; Y276-T325 CarbonylContact C-O 3.48Å; Y276-T325 WeakPolarHBondContact CA-O 3.37Å; Y276-T325 VanDerWaalsContact CB-O 3.25Å; Y276-T325 WeakPolarHBondContact CB-O 3.37Å; Y276-L327 HydrophobicContact CD2-CD1 3.52Å; Y276-L327 HydrophobicContact CE2-CD1 4.13Å; Y276-L327 HydrophobicContact CG-CD1 3.8Å
277	I	97.6	Very high	85.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.7	177.8	-57.9	168	0	0	0	106.7	I40 V274 Y293 E294 V295 V311 V313 I324 T325 F326 L327 F329	I40-I277 HydrophobicContact CD1-CD1 3.57Å; I40-I277 HydrophobicContact CD1-CG1 4.38Å; V274-I277 HydrophobicContact CG1-CG1 4.11Å; I277-Y293 HydrophobicContact CG2-CD1 3.96Å; I277-Y293 HydrophobicContact CG2-CG 4.48Å; I277-E294 WeakPolarHBondContact CA-O 3.31Å; I277-V295 HydrophobicContact CG1-CG2 4.46Å; I277-V311 HydrophobicContact CD1-CG1 4.24Å; I277-V313 HydrophobicContact CD1-CG2 4.5Å; I277-I324 HydrophobicContact CD1-CG2 3.87Å; I277-I324 HydrophobicContact CG1-CG2 4.07Å; I277-T325 PolarHBondContact N-O 3.34Å; I277-F326 HydrophobicContact CB-CD1 4.09Å; I277-F326 HydrophobicContact CB-CE1 4.31Å; I277-F326 HydrophobicContact CD1-CD1 4.3Å; I277-F326 HydrophobicContact CD1-CE1 3.67Å; I277-F326 HydrophobicContact CD1-CZ 4.32Å; I277-L327 PolarHBondContact O-N 2.88Å; I277-F329 HydrophobicContact CG2-CZ 4.44Å; I277-F329 WeakPolarHBondContact O-CE2 3.43Å
278	E	96.4	Very high	83.6	Confident	24 Å²	24	71.8 Å²	71.8	11%	0.112	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136.6	179.1	-166.9	-180	168.6	0	0	110.2	K280 Y293 E294 L327 N328	E278-K280 HydrophobicContact CG-CD 4.37Å; E278-K280 PolarHBondContact O-N 3.03Å; E278-K280 WeakPolarHBondContact OE1-CE 3.08Å; E278-K280 IonicContact OE1-NZ 3.25Å; E278-K280 PolarHBondContact OE1-NZ 3.01Å; E278-K280 WeakPolarHBondContact OE2-CE 3.23Å; E278-K280 IonicContact OE2-NZ 3.34Å; E278-K280 PolarHBondContact OE2-NZ 3.42Å; E278-Y293 WeakPolarHBondContact O-CA 3.3Å; E278-E294 PolarHBondContact N-O 2.93Å; E278-E294 PolarHBondContact O-N 3.31Å; E278-L327 HydrophobicContact CB-CB 4.18Å; E278-L327 HydrophobicContact CG-CB 4.04Å; E278-N328 HydrophobicContact CG-CB 4.38Å; E278-N328 PolarHBondContact OE1-ND2 3.2Å
279	E	95	Very high	82.2	Confident	47 Å²	47	72 Å²	72	22%	0.22	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.5	168.1	-173.1	-177.5	-133.1	0	0	109.5	K291 Y293 H451	E279-K291 VanDerWaalsContact OE1-CD 3.23Å; E279-K291 WeakPolarHBondContact OE1-CD 3.06Å; E279-K291 WeakPolarHBondContact OE1-CG 3.37Å; E279-K291 IonicContact OE1-NZ 2.68Å; E279-K291 PolarHBondContact OE1-NZ 3.44Å; E279-K291 IonicContact OE2-NZ 3.36Å; E279-K291 PolarHBondContact OE2-NZ 2.97Å; E279-Y293 HydrophobicContact CB-CD1 4.37Å; E279-Y293 HydrophobicContact CB-CE1 4.09Å; E279-Y293 HydrophobicContact CG-CE1 4.5Å; E279-H451 IonicContact OE1-CE1 2.6Å; E279-H451 PolarHBondContact OE1-CE1 2.91Å; E279-H451 IonicContact OE2-CE1 3.7Å
280	K	92	Very high	81.4	Confident	67 Å²	67	71.2 Å²	71.2	29%	0.291	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.5	174.2	-63.4	-65.9	-167.9	-171.6	0	109.9	E278 M292 E294 F307	E278-K280 HydrophobicContact CG-CD 4.37Å; E278-K280 PolarHBondContact O-N 3.03Å; E278-K280 WeakPolarHBondContact OE1-CE 3.08Å; E278-K280 IonicContact OE1-NZ 3.25Å; E278-K280 PolarHBondContact OE1-NZ 3.01Å; E278-K280 WeakPolarHBondContact OE2-CE 3.23Å; E278-K280 IonicContact OE2-NZ 3.34Å; E278-K280 PolarHBondContact OE2-NZ 3.42Å; K280-M292 PolarHBondContact N-O 3.28Å; K280-M292 PolarHBondContact O-N 2.82Å; K280-E294 WeakPolarHBondContact CE-OE2 3.35Å; K280-E294 HydrophobicContact CG-CB 3.91Å; K280-F307 HydrophobicContact CB-CE1 4.04Å; K280-F307 HydrophobicContact CG-CE1 4.13Å
281	T	85.2	Confident	80.9	Confident	87 Å²	87	75.4 Å²	75.4	53%	0.534	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117.3	171	-61.3	0	0	0	0	109	P289	T281-P289 HydrophobicContact CG2-CB 3.45Å; T281-P289 VanDerWaalsContact CG2-CB 3.45Å
282	K	73.6	Confident	80.7	Confident	105 Å²	105	72.3 Å²	72.3	46%	0.457	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.9	173.5	-165.7	172.6	-175.7	173.1	0	109.2	K284 T290 M292	K282-K284 PolarHBondContact O-N 2.95Å; K282-T290 PolarHBondContact N-O 3.33Å; K282-T290 PolarHBondContact O-N 3.23Å; K282-T290 VanDerWaalsContact O-N 3.13Å; K282-M292 HydrophobicContact CB-SD 4.1Å; K282-M292 HydrophobicContact CD-SD 3.91Å
283	T	64.1	Low	80.8	Confident	110 Å²	110	72.1 Å²	72.1	68%	0.675	39%	0.387	S	S	*	.			trans	-79.3	106.1	167	42.5	0	0	0	0	108.7	P289	T283-P289 HydrophobicContact CG2-CB 4.34Å; T283-P289 HydrophobicContact CG2-CG 4.39Å
284	K	57.6	Low	80.8	Confident	99 Å²	99	72.1 Å²	72.1	43%	0.43	38%	0.383	S	S	.	.			trans	-68.8	142.4	167.5	-69.9	-176.2	178.3	-179	0	108.3	K282 T286	K282-K284 PolarHBondContact O-N 2.95Å; K284-T286 PolarHBondContact O-N 3.21Å
285	H	54.3	Low	80.9	Confident	206 Å²	206	71.9 Å²	71.9	95%	0.954	38%	0.381	S	S	*	.	S	Bend	trans	-57.6	-20.8	179.5	-78.1	-63.8	0	0	0	113.4
286	T	47.5	Very low	80.9	Confident	130 Å²	130	68.8 Å²	68.8	80%	0.798	37%	0.366	S	S	*	.	S	Bend	trans	-138.9	116.7	168	43.2	0	0	0	0	108.3	K284	K284-T286 PolarHBondContact O-N 3.21Å
287	G	57.2	Low	81	Confident	59 Å²	59	66.1 Å²	66.1	61%	0.608	36%	0.356	S	S	*	.	S	Bend	trans	132.3	165.9	178.6	0	0	0	0	0	114.2
288	N	61.3	Low	81	Confident	142 Å²	142	69.5 Å²	69.5	76%	0.759	37%	0.372	S	S	*	.			trans	-66.6	148.6	174.4	-74.9	-17.3	0	0	0	110.6	T290	N288-T290 PolarHBondContact O-N 3.49Å
289	P	70.4	Confident	81	Confident	82 Å²	82	71.7 Å²	71.7	53%	0.532	38%	0.383	S	S	.	.			trans	-57.1	128.5	174.8	-15.3	26.6	0	0	0	110.2	T281 T283	T281-P289 HydrophobicContact CG2-CB 3.45Å; T281-P289 VanDerWaalsContact CG2-CB 3.45Å; T283-P289 HydrophobicContact CG2-CB 4.34Å; T283-P289 HydrophobicContact CG2-CG 4.39Å
290	T	80.8	Confident	80.8	Confident	48 Å²	48	72.7 Å²	72.7	29%	0.294	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.8	176.3	47.8	0	0	0	0	109.8	K282 N288	K282-T290 PolarHBondContact N-O 3.33Å; K282-T290 PolarHBondContact O-N 3.23Å; K282-T290 VanDerWaalsContact O-N 3.13Å; N288-T290 PolarHBondContact O-N 3.49Å
291	K	87.4	Confident	80.8	Confident	103 Å²	103	75.8 Å²	75.8	45%	0.448	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	129.9	170.2	-74.9	168.4	157.6	-111.3	0	109.4	E279	E279-K291 VanDerWaalsContact OE1-CD 3.23Å; E279-K291 WeakPolarHBondContact OE1-CD 3.06Å; E279-K291 WeakPolarHBondContact OE1-CG 3.37Å; E279-K291 IonicContact OE1-NZ 2.68Å; E279-K291 PolarHBondContact OE1-NZ 3.44Å; E279-K291 IonicContact OE2-NZ 3.36Å; E279-K291 PolarHBondContact OE2-NZ 2.97Å
292	M	93.5	Very high	81.3	Confident	15 Å²	15	77.6 Å²	77.6	7%	0.074	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	163.5	178.7	-71.1	177.1	167.1	0	0	108.9	K280 K282 F307 Y308 D309	K280-M292 PolarHBondContact N-O 3.28Å; K280-M292 PolarHBondContact O-N 2.82Å; K282-M292 HydrophobicContact CB-SD 4.1Å; K282-M292 HydrophobicContact CD-SD 3.91Å; M292-F307 HydrophobicContact SD-CB 4.48Å; M292-Y308 WeakPolarHBondContact CA-O 3.32Å; M292-D309 WeakPolarHBondContact CE-OD1 3.2Å
293	Y	96.9	Very high	82.4	Confident	4 Å²	4	77.1 Å²	77.1	2%	0.016	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.9	173.8	-67.8	-75	0	0	0	110.5	I277 E278 E279 F307 Y308 V311 F329 H451 D452 R453 L454	I277-Y293 HydrophobicContact CG2-CD1 3.96Å; I277-Y293 HydrophobicContact CG2-CG 4.48Å; E278-Y293 WeakPolarHBondContact O-CA 3.3Å; E279-Y293 HydrophobicContact CB-CD1 4.37Å; E279-Y293 HydrophobicContact CB-CE1 4.09Å; E279-Y293 HydrophobicContact CG-CE1 4.5Å; Y293-F307 CarbonylContact O-C 3.59Å; Y293-F307 VanDerWaalsContact O-CA 3.27Å; Y293-F307 WeakPolarHBondContact O-CA 3.08Å; Y293-Y308 PolarHBondContact N-O 2.63Å; Y293-Y308 PolarHBondContact O-N 2.72Å; Y293-V311 HydrophobicContact CD2-CG2 3.79Å; Y293-V311 HydrophobicContact CG-CG2 3.78Å; Y293-F329 HydrophobicContact CD1-CZ 4.31Å; Y293-F329 AromaticContact CE1-CE1 3.83Å; Y293-F329 HydrophobicContact CE1-CE1 3.83Å; Y293-F329 AromaticContact CE1-CZ 3.82Å; Y293-F329 HydrophobicContact CE1-CZ 3.82Å; Y293-H451 AromaticContact CZ-ND1 3.89Å; Y293-H451 PolarHBondContact OH-ND1 2.85Å; Y293-D452 WeakPolarHBondContact CE2-O 3.27Å; Y293-D452 PolarHBondContact OH-O 2.88Å; Y293-R453 HydrophobicContact CE2-CB 4.22Å; Y293-L454 HydrophobicContact CE1-CB 4.33Å; Y293-L454 HydrophobicContact CE1-CD2 4.44Å; Y293-L454 HydrophobicContact CE2-CB 4.21Å
294	E	97.5	Very high	84	Confident	35 Å²	35	74.9 Å²	74.9	16%	0.164	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	120.8	161.6	-174.2	171.1	-157.7	0	0	108.2	I277 E278 K280 V296 S305 F307	I277-E294 WeakPolarHBondContact CA-O 3.31Å; E278-E294 PolarHBondContact N-O 2.93Å; E278-E294 PolarHBondContact O-N 3.31Å; K280-E294 WeakPolarHBondContact CE-OE2 3.35Å; K280-E294 HydrophobicContact CG-CB 3.91Å; E294-V296 HydrophobicContact CG-CG2 3.97Å; E294-S305 WeakPolarHBondContact OE1-CB 3.44Å; E294-S305 PolarHBondContact OE1-OG 3.39Å; E294-F307 HydrophobicContact CB-CD1 4.1Å; E294-F307 HydrophobicContact CB-CE1 3.75Å; E294-F307 HydrophobicContact CB-CZ 4.3Å; E294-F307 HydrophobicContact CG-CE1 4.16Å; E294-F307 HydrophobicContact CG-CZ 4.2Å
295	V	98.1	Very high	85.9	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.4	173.7	178.1	0	0	0	0	107.4	A38 F66 V274 I277 S305 D306 Y308 V311	A38-V295 HydrophobicContact CB-CG2 4.35Å; F66-V295 HydrophobicContact CE2-CG1 4.28Å; F66-V295 HydrophobicContact CZ-CG1 4.26Å; V274-V295 HydrophobicContact CB-CG1 4.44Å; V274-V295 HydrophobicContact CG1-CG1 3.71Å; V274-V295 HydrophobicContact CG2-CG1 3.86Å; I277-V295 HydrophobicContact CG1-CG2 4.46Å; V295-S305 WeakPolarHBondContact O-CA 3.49Å; V295-D306 PolarHBondContact N-O 3.45Å; V295-D306 PolarHBondContact O-N 3.31Å; V295-D306 VanDerWaalsContact O-N 3.17Å; V295-Y308 HydrophobicContact CB-CD2 3.86Å; V295-Y308 HydrophobicContact CB-CE2 3.77Å; V295-Y308 HydrophobicContact CG2-CD2 3.56Å; V295-Y308 HydrophobicContact CG2-CE2 3.97Å; V295-Y308 HydrophobicContact CG2-CG 4.48Å; V295-V311 HydrophobicContact CG2-CG2 3.99Å
296	V	98	Very high	87.9	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.006	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.3	178.6	-175.4	0	0	0	0	109.7	M275 Y276 E294 T303 H304	M275-V296 PolarHBondContact N-O 3.19Å; Y276-V296 HydrophobicContact CD1-CB 3.94Å; Y276-V296 HydrophobicContact CD1-CG1 4.23Å; Y276-V296 HydrophobicContact CD2-CB 3.81Å; Y276-V296 HydrophobicContact CD2-CG2 3.66Å; Y276-V296 HydrophobicContact CE1-CB 3.58Å; Y276-V296 HydrophobicContact CE1-CG1 3.49Å; Y276-V296 VanDerWaalsContact CE1-CG1 3.49Å; Y276-V296 HydrophobicContact CE1-CG2 4.07Å; Y276-V296 HydrophobicContact CE2-CB 3.47Å; Y276-V296 VanDerWaalsContact CE2-CB 3.47Å; Y276-V296 HydrophobicContact CE2-CG1 4.11Å; Y276-V296 HydrophobicContact CE2-CG2 3.04Å; Y276-V296 HydrophobicContact CG-CB 4.05Å; Y276-V296 HydrophobicContact CG-CG2 4.41Å; Y276-V296 VanDerWaalsContact CZ-CG1 3.43Å; Y276-V296 PolarHBondContact N-O 2.05Å; Y276-V296 PolarHBondContact O-N 3.16Å; Y276-V296 WeakPolarHBondContact OH-CG1 3.47Å; Y276-V296 WeakPolarHBondContact OH-CG2 3.33Å; E294-V296 HydrophobicContact CG-CG2 3.97Å; V296-T303 HydrophobicContact CG1-CG2 3.48Å; V296-T303 VanDerWaalsContact CG1-CG2 3.48Å; V296-H304 WeakPolarHBondContact CA-O 3.47Å; V296-H304 WeakPolarHBondContact CG1-O 3.41Å
297	Y	97.7	Very high	90.3	Very high	24 Å²	24	62.9 Å²	62.9	9%	0.094	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	157.6	-172.4	60.8	-86.9	0	0	0	111.3	F66 I270 S273 I299 H304	F66-Y297 HydrophobicContact CD1-CD1 4.37Å; F66-Y297 HydrophobicContact CD1-CD2 4.37Å; F66-Y297 HydrophobicContact CD1-CG 4.09Å; F66-Y297 AromaticContact CE1-CD1 3.39Å; F66-Y297 HydrophobicContact CE1-CD1 3.39Å; F66-Y297 AromaticContact CE1-CD2 3.88Å; F66-Y297 HydrophobicContact CE1-CD2 3.88Å; F66-Y297 AromaticContact CE1-CE1 3.66Å; F66-Y297 HydrophobicContact CE1-CE1 3.66Å; F66-Y297 HydrophobicContact CE1-CE2 4.12Å; F66-Y297 AromaticContact CE1-CG 3.5Å; F66-Y297 HydrophobicContact CE1-CG 3.5Å; F66-Y297 VanDerWaalsContact CE1-CG 3.5Å; F66-Y297 AromaticContact CZ-CD1 3.85Å; F66-Y297 HydrophobicContact CZ-CD1 3.85Å; F66-Y297 AromaticContact CZ-CE1 3.96Å; F66-Y297 HydrophobicContact CZ-CE1 3.96Å; F66-Y297 HydrophobicContact CZ-CG 4.38Å; I270-Y297 HydrophobicContact CG2-CD2 4.12Å; I270-Y297 HydrophobicContact CG2-CE2 3.82Å; S273-Y297 CarbonylContact O-C 3.56Å; S273-Y297 WeakPolarHBondContact O-CA 3.38Å; S273-Y297 WeakPolarHBondContact O-CB 3.36Å; Y297-I299 HydrophobicContact CD2-CD1 4.24Å; Y297-I299 HydrophobicContact CD2-CG1 3.93Å; Y297-I299 HydrophobicContact CE2-CD1 3.71Å; Y297-I299 HydrophobicContact CE2-CG1 3.92Å; Y297-H304 HydrophobicContact CD2-CB 4.17Å; Y297-H304 HydrophobicContact CE1-CB 4.03Å; Y297-H304 HydrophobicContact CE2-CB 3.57Å; Y297-H304 PolarHBondContact N-O 3.11Å; Y297-H304 PolarHBondContact O-N 3.44Å
298	Q	97	Very high	92.2	Very high	72 Å²	72	60.1 Å²	60.1	34%	0.336	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.7	-178.3	-170.5	174.2	15.3	0	0	110.1	G272 S273 M275 G300 E302	G272-Q298 CarbonylContact C-O 3.52Å; G272-Q298 WeakPolarHBondContact CA-O 3.43Å; S273-Q298 PolarHBondContact N-O 2.67Å; S273-Q298 PolarHBondContact O-N 3.06Å; M275-Q298 HydrophobicContact CG-CB 4.32Å; Q298-G300 WeakPolarHBondContact CG-O 3.34Å; Q298-G300 PolarHBondContact NE2-O 2.81Å; Q298-E302 WeakPolarHBondContact CA-O 3.39Å
299	I	95.8	Very high	93.9	Very high	70 Å²	70	54 Å²	54	36%	0.359	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	111.1	169.4	-59.4	-179.7	0	0	0	107.2	I270 Y297 T301 E302	I270-I299 HydrophobicContact CG2-CD1 3.94Å; I270-I299 HydrophobicContact CG2-CG1 4.47Å; Y297-I299 HydrophobicContact CD2-CD1 4.24Å; Y297-I299 HydrophobicContact CD2-CG1 3.93Å; Y297-I299 HydrophobicContact CE2-CD1 3.71Å; Y297-I299 HydrophobicContact CE2-CG1 3.92Å; I299-T301 PolarHBondContact O-N 3.41Å; I299-E302 PolarHBondContact N-O 2.75Å; I299-E302 PolarHBondContact O-N 3.17Å
300	G	91	Very high	95.2	Very high	68 Å²	68	50.1 Å²	50.1	70%	0.701	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	-113.3	-171.8	0	0	0	0	0	111	Q298	Q298-G300 WeakPolarHBondContact CG-O 3.34Å; Q298-G300 PolarHBondContact NE2-O 2.81Å
301	T	91.4	Very high	96.1	Very high	132 Å²	132	47.8 Å²	47.8	81%	0.81	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-9.5	176.9	51	0	0	0	0	113.9	I299	I299-T301 PolarHBondContact O-N 3.41Å
302	E	96.6	Very high	96.6	Very high	124 Å²	124	42.9 Å²	42.9	58%	0.579	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	135.3	-174.5	-64.3	-174.2	175.4	0	0	111.1	Q298 I299 H304	Q298-E302 WeakPolarHBondContact CA-O 3.39Å; I299-E302 PolarHBondContact N-O 2.75Å; I299-E302 PolarHBondContact O-N 3.17Å; E302-H304 WeakPolarHBondContact CB-NE2 3.27Å; E302-H304 IonicContact OE2-CE1 2.84Å; E302-H304 PolarHBondContact OE2-CE1 3.27Å; E302-H304 IonicContact OE2-NE2 3.79Å
303	T	97.5	Very high	96.8	Very high	96 Å²	96	42.2 Å²	42.2	59%	0.589	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.4	174.3	-57.9	0	0	0	0	109	V296	V296-T303 HydrophobicContact CG1-CG2 3.48Å; V296-T303 VanDerWaalsContact CG1-CG2 3.48Å
304	H	97.6	Very high	96.9	Very high	62 Å²	62	42.4 Å²	42.4	29%	0.287	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	157.1	177.6	-54.6	-84.6	0	0	0	109.8	V296 Y297 E302	V296-H304 WeakPolarHBondContact CA-O 3.47Å; V296-H304 WeakPolarHBondContact CG1-O 3.41Å; Y297-H304 HydrophobicContact CD2-CB 4.17Å; Y297-H304 HydrophobicContact CE1-CB 4.03Å; Y297-H304 HydrophobicContact CE2-CB 3.57Å; Y297-H304 PolarHBondContact N-O 3.11Å; Y297-H304 PolarHBondContact O-N 3.44Å; E302-H304 WeakPolarHBondContact CB-NE2 3.27Å; E302-H304 IonicContact OE2-CE1 2.84Å; E302-H304 PolarHBondContact OE2-CE1 3.27Å; E302-H304 IonicContact OE2-NE2 3.79Å
305	S	96.8	Very high	96.8	Very high	58 Å²	58	42 Å²	42	41%	0.406	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.9	170.1	71.6	0	0	0	0	111.1	E294 V295	E294-S305 WeakPolarHBondContact OE1-CB 3.44Å; E294-S305 PolarHBondContact OE1-OG 3.39Å; V295-S305 WeakPolarHBondContact O-CA 3.49Å
306	D	97	Very high	96.6	Very high	55 Å²	55	42.2 Å²	42.2	29%	0.294	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	163.2	170.9	-151.1	-22.3	0	0	0	110.6	K36 V295 Y308	K36-D306 IonicContact NZ-OD1 3.12Å; K36-D306 IonicContact NZ-OD2 2.86Å; K36-D306 PolarHBondContact NZ-OD2 3.4Å; V295-D306 PolarHBondContact N-O 3.45Å; V295-D306 PolarHBondContact O-N 3.31Å; V295-D306 VanDerWaalsContact O-N 3.17Å; D306-Y308 HydrophobicContact CB-CE2 3.86Å; D306-Y308 WeakPolarHBondContact O-CE2 3.25Å
307	F	96.7	Very high	96.3	Very high	70 Å²	70	42.8 Å²	42.8	31%	0.307	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.3	-174	-66.7	-89.9	0	0	0	112.3	K36 K280 M292 Y293 E294	K36-F307 WeakPolarHBondContact CD-O 3.47Å; K280-F307 HydrophobicContact CB-CE1 4.04Å; K280-F307 HydrophobicContact CG-CE1 4.13Å; M292-F307 HydrophobicContact SD-CB 4.48Å; Y293-F307 CarbonylContact O-C 3.59Å; Y293-F307 VanDerWaalsContact O-CA 3.27Å; Y293-F307 WeakPolarHBondContact O-CA 3.08Å; E294-F307 HydrophobicContact CB-CD1 4.1Å; E294-F307 HydrophobicContact CB-CE1 3.75Å; E294-F307 HydrophobicContact CB-CZ 4.3Å; E294-F307 HydrophobicContact CG-CE1 4.16Å; E294-F307 HydrophobicContact CG-CZ 4.2Å
308	Y	97.6	Very high	95.8	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	143.6	-175.5	-60.5	-87.6	0	0	0	111.8	K36 I37 A38 D64 F66 M292 Y293 V295 D306	K36-Y308 HydrophobicContact CB-CD1 4.13Å; K36-Y308 HydrophobicContact CD-CD1 3.65Å; K36-Y308 HydrophobicContact CD-CE1 3.47Å; K36-Y308 VanDerWaalsContact CD-CE1 3.47Å; K36-Y308 VanDerWaalsContact CE-CE1 3.46Å; K36-Y308 HydrophobicContact CG-CD1 3.64Å; K36-Y308 HydrophobicContact CG-CE1 3.74Å; K36-Y308 VanDerWaalsContact NZ-CE1 3.29Å; K36-Y308 VanDerWaalsContact NZ-CZ 3.26Å; K36-Y308 PolarHBondContact NZ-OH 3.34Å; I37-Y308 VanDerWaalsContact C-CD1 3.47Å; A38-Y308 HydrophobicContact CB-CD1 3.5Å; A38-Y308 VanDerWaalsContact CB-CD1 3.5Å; A38-Y308 HydrophobicContact CB-CD2 3.86Å; A38-Y308 HydrophobicContact CB-CE1 3.72Å; A38-Y308 HydrophobicContact CB-CE2 4.09Å; A38-Y308 HydrophobicContact CB-CG 3.56Å; A38-Y308 VanDerWaalsContact N-CD1 3.29Å; D64-Y308 HydrophobicContact CB-CE1 3.94Å; D64-Y308 PolarHBondContact OD2-OH 2.69Å; D64-Y308 VanDerWaalsContact OD2-OH 3.06Å; F66-Y308 HydrophobicContact CE2-CE2 4.35Å; F66-Y308 AromaticContact CE2-CZ 3.96Å; F66-Y308 HydrophobicContact CZ-CE2 4.24Å; F66-Y308 AromaticContact CZ-CZ 3.9Å; F66-Y308 VanDerWaalsContact CZ-OH 3.27Å; F66-Y308 WeakPolarHBondContact CZ-OH 3.1Å; M292-Y308 WeakPolarHBondContact CA-O 3.32Å; Y293-Y308 PolarHBondContact N-O 2.63Å; Y293-Y308 PolarHBondContact O-N 2.72Å; V295-Y308 HydrophobicContact CB-CD2 3.86Å; V295-Y308 HydrophobicContact CB-CE2 3.77Å; V295-Y308 HydrophobicContact CG2-CD2 3.56Å; V295-Y308 HydrophobicContact CG2-CE2 3.97Å; V295-Y308 HydrophobicContact CG2-CG 4.48Å; D306-Y308 HydrophobicContact CB-CE2 3.86Å; D306-Y308 WeakPolarHBondContact O-CE2 3.25Å
309	D	96.9	Very high	95.1	Very high	13 Å²	13	46.8 Å²	46.8	7%	0.07	26%	0.259	C	S	.	.	S	Bend	trans	-78	-32.3	174.8	-62.8	-64.1	0	0	0	111.9	P34 D35 K36 M292 R453 W485	P34-D309 HydrophobicContact CB-CB 3.77Å; D35-D309 WeakPolarHBondContact CB-OD2 2.99Å; D35-D309 PolarHBondContact N-OD2 3.21Å; K36-D309 PolarHBondContact N-OD2 2.8Å; K36-D309 PolarHBondContact O-N 3.43Å; M292-D309 WeakPolarHBondContact CE-OD1 3.2Å; D309-R453 WeakPolarHBondContact O-CB 3.32Å; D309-R453 VanDerWaalsContact O-CD 3.3Å; D309-R453 WeakPolarHBondContact O-CD 3.2Å; D309-W485 HydrophobicContact CB-CH2 3.94Å; D309-W485 HydrophobicContact CB-CZ3 3.93Å
310	I	98.1	Very high	94.5	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139	-177.8	-52.1	-177.7	0	0	0	108.8	P34 I37 A38 F57 L312 R453 Y455 A481 W485	P34-I310 HydrophobicContact CB-CD1 4.14Å; P34-I310 HydrophobicContact CB-CG1 4.32Å; P34-I310 HydrophobicContact CG-CD1 3.92Å; I37-I310 WeakPolarHBondContact CA-O 3.5Å; I37-I310 HydrophobicContact CD1-CD1 4.26Å; I37-I310 HydrophobicContact CG1-CB 4.12Å; I37-I310 HydrophobicContact CG1-CD1 4.47Å; I37-I310 HydrophobicContact CG2-CB 4.1Å; I37-I310 HydrophobicContact CG2-CG2 4.31Å; A38-I310 PolarHBondContact N-O 2.74Å; F57-I310 HydrophobicContact CE2-CD1 4.28Å; F57-I310 HydrophobicContact CZ-CD1 4.01Å; I310-L312 HydrophobicContact CG2-CD1 3.62Å; I310-R453 WeakPolarHBondContact CA-O 3.36Å; I310-R453 HydrophobicContact CG1-CB 4.25Å; I310-R453 WeakPolarHBondContact CG2-O 3.34Å; I310-Y455 HydrophobicContact CG2-CD2 4.14Å; I310-Y455 HydrophobicContact CG2-CE2 3.92Å; I310-A481 HydrophobicContact CD1-CB 4.38Å; I310-A481 HydrophobicContact CG2-CB 4.33Å; I310-W485 HydrophobicContact CD1-CD2 4.49Å; I310-W485 HydrophobicContact CD1-CE3 3.9Å; I310-W485 HydrophobicContact CD1-CZ3 4.38Å; I310-W485 HydrophobicContact CG1-CE3 4.13Å; I310-W485 HydrophobicContact CG1-CZ3 4.18Å
311	V	98.7	Very high	94.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.1	175.4	-178.2	0	0	0	0	109.9	A38 I40 I277 Y293 V295 R453 L454 Y455	A38-V311 HydrophobicContact CB-CG1 4.34Å; A38-V311 HydrophobicContact CB-CG2 4.23Å; A38-V311 CarbonylContact O-C 3.54Å; A38-V311 WeakPolarHBondContact O-CA 3.1Å; I40-V311 HydrophobicContact CD1-CG1 4.01Å; I277-V311 HydrophobicContact CD1-CG1 4.24Å; Y293-V311 HydrophobicContact CD2-CG2 3.79Å; Y293-V311 HydrophobicContact CG-CG2 3.78Å; V295-V311 HydrophobicContact CG2-CG2 3.99Å; V311-R453 PolarHBondContact N-O 3.34Å; V311-L454 HydrophobicContact CB-CD1 3.57Å; V311-L454 HydrophobicContact CG1-CD1 3.59Å; V311-L454 WeakPolarHBondContact O-CA 3.31Å; V311-Y455 PolarHBondContact O-N 3.11Å
312	L	98.8	Very high	93.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130	171.9	-76.1	72.4	0	0	0	109.3	I37 A38 I39 I40 A49 L53 I310 Y455 L457 A477	I37-L312 HydrophobicContact CG2-CD1 4.03Å; A38-L312 PolarHBondContact O-N 3.32Å; I39-L312 CarbonylContact C-O 3.54Å; I39-L312 VanDerWaalsContact CA-O 3.31Å; I39-L312 WeakPolarHBondContact CA-O 3.4Å; I39-L312 HydrophobicContact CG1-CB 4.29Å; I39-L312 HydrophobicContact CG2-CB 4.39Å; I40-L312 PolarHBondContact N-O 3.29Å; A49-L312 HydrophobicContact CB-CD2 3.83Å; L53-L312 HydrophobicContact CD1-CD1 4Å; L53-L312 HydrophobicContact CD1-CD2 3.79Å; I310-L312 HydrophobicContact CG2-CD1 3.62Å; L312-Y455 CarbonylContact C-O 3.59Å; L312-Y455 WeakPolarHBondContact CA-O 3.42Å; L312-Y455 HydrophobicContact CD1-CD2 4.23Å; L312-Y455 HydrophobicContact CG-CD2 4.42Å; L312-L457 HydrophobicContact CD2-CD2 4.41Å; L312-A477 HydrophobicContact CD2-CB 4.03Å
313	V	98.3	Very high	93.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	112.2	174.2	-174.6	0	0	0	0	108.8	I40 I277 T315 L317 F326 L454 Y455 Y456 L457	I40-V313 HydrophobicContact CD1-CG2 4.35Å; I277-V313 HydrophobicContact CD1-CG2 4.5Å; V313-T315 HydrophobicContact CG1-CG2 4.02Å; V313-T315 WeakPolarHBondContact CG1-O 3.48Å; V313-L317 HydrophobicContact CG1-CD1 4.16Å; V313-L317 HydrophobicContact CG1-CD2 3.69Å; V313-L317 HydrophobicContact CG1-CG 3.84Å; V313-F326 HydrophobicContact CG2-CZ 4.47Å; V313-L454 HydrophobicContact CG2-CD1 4.21Å; V313-Y455 PolarHBondContact N-O 2.92Å; V313-Y456 HydrophobicContact CB-CD2 4Å; V313-Y456 HydrophobicContact CG1-CD2 3.93Å; V313-Y456 HydrophobicContact CG1-CE2 4.3Å; V313-L457 PolarHBondContact O-N 3.18Å; V313-L457 VanDerWaalsContact O-N 3.11Å
314	A	97.8	Very high	93.2	Very high	9 Å²	9	38.4 Å²	38.4	7%	0.074	19%	0.186	C	C	.	.			trans	-112.7	17.2	-178.1	0	0	0	0	0	112.8	I39 I40 G46 L457 N458	I39-A314 HydrophobicContact CG2-CB 4.27Å; I40-A314 CarbonylContact O-C 3.46Å; I40-A314 VanDerWaalsContact O-C 3.32Å; I40-A314 VanDerWaalsContact O-CA 3.28Å; I40-A314 WeakPolarHBondContact O-CA 3.37Å; I40-A314 WeakPolarHBondContact O-CB 3.44Å; I40-A314 PolarHBondContact O-N 2.61Å; G46-A314 VanDerWaalsContact CA-CB 3.49Å; A314-L457 HydrophobicContact CB-CD1 3.96Å; A314-L457 HydrophobicContact CB-CD2 3.8Å; A314-L457 HydrophobicContact CB-CG 3.97Å; A314-N458 PolarHBondContact O-OD1 3.4Å
315	T	95.6	Very high	93.1	Very high	26 Å²	26	38.8 Å²	38.8	16%	0.16	19%	0.193	C	C	.	.	S	Bend	trans	-122.3	144.1	175.2	-177.9	0	0	0	0	109.6	I40 V313 L317 I324 Y456	I40-T315 HydrophobicContact CG2-CG2 3.99Å; I40-T315 PolarHBondContact O-N 2.95Å; V313-T315 HydrophobicContact CG1-CG2 4.02Å; V313-T315 WeakPolarHBondContact CG1-O 3.48Å; T315-L317 PolarHBondContact O-N 2.76Å; T315-I324 HydrophobicContact CG2-CD1 4.11Å; T315-Y456 WeakPolarHBondContact O-CE2 3.37Å
316	P	94.1	Very high	93	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.032	18%	0.182	C	C	.	.			trans	-56	129.7	176.2	-22.6	29.4	0	0	0	112.4	N318 M321 S322 Y340 N458	P316-N318 VanDerWaalsContact C-N 3.26Å; P316-N318 PolarHBondContact O-N 2.81Å; P316-M321 HydrophobicContact CB-CB 3.84Å; P316-M321 HydrophobicContact CB-CG 3.92Å; P316-M321 HydrophobicContact CG-CB 4.28Å; P316-M321 HydrophobicContact CG-CE 3.74Å; P316-M321 HydrophobicContact CG-CG 4.14Å; P316-M321 WeakPolarHBondContact O-CB 3.37Å; P316-S322 WeakPolarHBondContact O-CB 3.37Å; P316-S322 PolarHBondContact O-OG 2.76Å; P316-Y340 HydrophobicContact CB-CE1 4.2Å; P316-Y340 HydrophobicContact CB-CE2 4.09Å; P316-Y340 WeakPolarHBondContact CB-OH 3.39Å; P316-Y340 HydrophobicContact CG-CE1 3.8Å; P316-Y340 WeakPolarHBondContact CG-OH 3.24Å; P316-N458 WeakPolarHBondContact CD-ND2 3.41Å; P316-N458 VanDerWaalsContact CG-ND2 3.33Å; P316-N458 WeakPolarHBondContact CG-ND2 3.29Å
317	L	92.6	Very high	92.9	Very high	12 Å²	12	38 Å²	38	6%	0.063	18%	0.183	C	C	.	.			trans	-81.2	4.9	-176.3	-76.4	173.4	0	0	0	115.3	V313 T315 S322 I324 F326 F336 L450 Y456	V313-L317 HydrophobicContact CG1-CD1 4.16Å; V313-L317 HydrophobicContact CG1-CD2 3.69Å; V313-L317 HydrophobicContact CG1-CG 3.84Å; T315-L317 PolarHBondContact O-N 2.76Å; L317-S322 WeakPolarHBondContact CA-OG 3.32Å; L317-I324 HydrophobicContact CD2-CB 4.37Å; L317-I324 HydrophobicContact CD2-CD1 4.22Å; L317-F326 HydrophobicContact CD1-CE2 3.98Å; L317-F326 HydrophobicContact CD1-CZ 3.93Å; L317-F326 HydrophobicContact CD2-CE2 3.78Å; L317-F326 HydrophobicContact CD2-CZ 3.83Å; L317-F326 HydrophobicContact CG-CE2 4.49Å; L317-F336 HydrophobicContact CB-CB 4.1Å; L317-F336 HydrophobicContact CB-CD1 4.45Å; L317-F336 HydrophobicContact CB-CD2 3.28Å; L317-F336 HydrophobicContact CB-CE2 3.76Å; L317-F336 HydrophobicContact CB-CG 3.67Å; L317-F336 HydrophobicContact CD1-CD2 3.88Å; L317-F336 HydrophobicContact CD1-CE2 3.38Å; L317-F336 HydrophobicContact CD1-CZ 3.77Å; L317-F336 HydrophobicContact CG-CD2 4.19Å; L317-F336 HydrophobicContact CG-CE2 4.19Å; L317-L450 HydrophobicContact CD1-CD1 3.81Å; L317-Y456 HydrophobicContact CB-CE2 4.24Å; L317-Y456 HydrophobicContact CD1-CD1 4.21Å; L317-Y456 HydrophobicContact CD1-CD2 3.65Å; L317-Y456 HydrophobicContact CD1-CE1 4.34Å; L317-Y456 HydrophobicContact CD1-CE2 3.8Å; L317-Y456 HydrophobicContact CD1-CG 3.87Å; L317-Y456 HydrophobicContact CG-CD2 4.01Å; L317-Y456 HydrophobicContact CG-CE2 3.71Å; L317-Y456 PolarHBondContact N-OH 2.78Å
318	N	86.3	Confident	92.7	Very high	12 Å²	12	41 Å²	41	6%	0.064	20%	0.202	C	C	.	.	S	Bend	trans	-68.2	149.3	173.5	73.4	69.9	0	0	0	111.1	P316 K320 M321 S322 F336 Q338 Y340	P316-N318 VanDerWaalsContact C-N 3.26Å; P316-N318 PolarHBondContact O-N 2.81Å; N318-K320 PolarHBondContact O-N 3.27Å; N318-K320 VanDerWaalsContact O-N 3.13Å; N318-K320 PolarHBondContact OD1-N 3.02Å; N318-M321 VanDerWaalsContact ND2-CG 3.34Å; N318-M321 WeakPolarHBondContact ND2-CG 3.5Å; N318-M321 PolarHBondContact O-N 3.05Å; N318-M321 WeakPolarHBondContact OD1-CB 3.47Å; N318-M321 WeakPolarHBondContact OD1-CG 3.46Å; N318-M321 PolarHBondContact OD1-N 3.13Å; N318-S322 PolarHBondContact O-N 3.26Å; N318-F336 WeakPolarHBondContact CA-O 3.33Å; N318-Q338 WeakPolarHBondContact CB-O 3.34Å; N318-Y340 WeakPolarHBondContact ND2-CD2 3.27Å; N318-Y340 WeakPolarHBondContact ND2-CE2 3.45Å
319	R	82	Confident	92.5	Very high	169 Å²	169	41.7 Å²	41.7	64%	0.638	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.2	-174.1	-68.2	-172.1	-178.5	177.1	2	114.4	E335	R319-E335 IonicContact CZ-OE1 3.73Å; R319-E335 IonicContact NH2-OE1 3.3Å; R319-E335 PolarHBondContact NH2-OE1 3.03Å; R319-E335 IonicContact NH2-OE2 2.7Å; R319-E335 PolarHBondContact NH2-OE2 3.14Å
320	K	83.6	Confident	92.2	Very high	164 Å²	164	48 Å²	48	71%	0.713	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-26	177.7	-68.8	-171.6	178.2	-177.1	0	112.5	N318 L434	N318-K320 PolarHBondContact O-N 3.27Å; N318-K320 VanDerWaalsContact O-N 3.13Å; N318-K320 PolarHBondContact OD1-N 3.02Å; K320-L434 HydrophobicContact CB-CD1 4.12Å
321	M	85.6	Confident	91.9	Very high	28 Å²	28	52.8 Å²	52.8	14%	0.138	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-53.7	-174.6	-74.4	-64.1	-78.9	0	0	113	R68 P316 N318 L434	R68-M321 PolarHBondContact NH1-O 2.89Å; R68-M321 PolarHBondContact NH2-O 2.85Å; P316-M321 HydrophobicContact CB-CB 3.84Å; P316-M321 HydrophobicContact CB-CG 3.92Å; P316-M321 HydrophobicContact CG-CB 4.28Å; P316-M321 HydrophobicContact CG-CE 3.74Å; P316-M321 HydrophobicContact CG-CG 4.14Å; P316-M321 WeakPolarHBondContact O-CB 3.37Å; N318-M321 VanDerWaalsContact ND2-CG 3.34Å; N318-M321 WeakPolarHBondContact ND2-CG 3.5Å; N318-M321 PolarHBondContact O-N 3.05Å; N318-M321 WeakPolarHBondContact OD1-CB 3.47Å; N318-M321 WeakPolarHBondContact OD1-CG 3.46Å; N318-M321 PolarHBondContact OD1-N 3.13Å; M321-L434 HydrophobicContact CE-CB 4.46Å; M321-L434 HydrophobicContact CG-CD1 4.13Å; M321-L434 HydrophobicContact SD-CB 3.56Å; M321-L434 VanDerWaalsContact SD-CB 3.56Å; M321-L434 HydrophobicContact SD-CD1 3.45Å; M321-L434 WeakPolarHBondContact SD-CD1 3.41Å; M321-L434 HydrophobicContact SD-CG 4.11Å
322	S	82.1	Confident	91.6	Very high	9 Å²	9	57.8 Å²	57.8	6%	0.063	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-22.1	-171	55.1	0	0	0	0	115.1	P316 L317 N318 I324	P316-S322 WeakPolarHBondContact O-CB 3.37Å; P316-S322 PolarHBondContact O-OG 2.76Å; L317-S322 WeakPolarHBondContact CA-OG 3.32Å; N318-S322 PolarHBondContact O-N 3.26Å; S322-I324 PolarHBondContact O-N 2.84Å
323	N	87.6	Confident	91.2	Very high	94 Å²	94	59.1 Å²	59.1	50%	0.503	31%	0.309	S	S	.	.			trans	45.2	37	178.4	-162.2	45.6	0	0	0	114.5
324	I	94.1	Very high	90.6	Very high	18 Å²	18	64.9 Å²	64.9	9%	0.092	34%	0.336	C	S	.	.			trans	-84.9	132.5	179	-61	167.9	0	0	0	108.9	I40 V274 I277 T315 L317 S322 F326	I40-I324 HydrophobicContact CD1-CD1 4.44Å; I40-I324 HydrophobicContact CG2-CD1 3.86Å; V274-I324 HydrophobicContact CB-CD1 4.4Å; V274-I324 HydrophobicContact CB-CG1 4.43Å; V274-I324 HydrophobicContact CG1-CD1 4.48Å; V274-I324 HydrophobicContact CG1-CG1 4.41Å; V274-I324 HydrophobicContact CG1-CG2 4.3Å; I277-I324 HydrophobicContact CD1-CG2 3.87Å; I277-I324 HydrophobicContact CG1-CG2 4.07Å; T315-I324 HydrophobicContact CG2-CD1 4.11Å; L317-I324 HydrophobicContact CD2-CB 4.37Å; L317-I324 HydrophobicContact CD2-CD1 4.22Å; S322-I324 PolarHBondContact O-N 2.84Å; I324-F326 HydrophobicContact CG2-CZ 4.45Å
325	T	94.5	Very high	90	Very high	71 Å²	71	69.6 Å²	69.6	44%	0.436	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130	175.2	-51.8	0	0	0	0	111.1	M275 Y276 I277 L327	M275-T325 PolarHBondContact O-N 2.78Å; Y276-T325 CarbonylContact C-O 3.48Å; Y276-T325 WeakPolarHBondContact CA-O 3.37Å; Y276-T325 VanDerWaalsContact CB-O 3.25Å; Y276-T325 WeakPolarHBondContact CB-O 3.37Å; I277-T325 PolarHBondContact N-O 3.34Å; T325-L327 HydrophobicContact CG2-CD2 3.63Å; T325-L327 HydrophobicContact CG2-CG 4.23Å
326	F	95.3	Very high	89.6	Confident	39 Å²	39	70.1 Å²	70.1	17%	0.171	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	113.7	172	-64.5	-82.2	0	0	0	109.3	I277 V313 L317 I324 F329 I333 L450 L454	I277-F326 HydrophobicContact CB-CD1 4.09Å; I277-F326 HydrophobicContact CB-CE1 4.31Å; I277-F326 HydrophobicContact CD1-CD1 4.3Å; I277-F326 HydrophobicContact CD1-CE1 3.67Å; I277-F326 HydrophobicContact CD1-CZ 4.32Å; V313-F326 HydrophobicContact CG2-CZ 4.47Å; L317-F326 HydrophobicContact CD1-CE2 3.98Å; L317-F326 HydrophobicContact CD1-CZ 3.93Å; L317-F326 HydrophobicContact CD2-CE2 3.78Å; L317-F326 HydrophobicContact CD2-CZ 3.83Å; L317-F326 HydrophobicContact CG-CE2 4.49Å; I324-F326 HydrophobicContact CG2-CZ 4.45Å; F326-F329 HydrophobicContact CB-CD2 3.72Å; F326-F329 HydrophobicContact CB-CE2 3.74Å; F326-F329 AromaticContact CD1-CE2 3.97Å; F326-F329 HydrophobicContact CD1-CE2 3.97Å; F326-F329 HydrophobicContact CD1-CZ 4.3Å; F326-F329 HydrophobicContact CG-CE2 4.36Å; F326-I333 HydrophobicContact CB-CB 4.13Å; F326-I333 HydrophobicContact CB-CD1 3.91Å; F326-I333 HydrophobicContact CB-CG1 4.44Å; F326-I333 HydrophobicContact CD1-CD1 3.45Å; F326-I333 VanDerWaalsContact CD1-CD1 3.45Å; F326-I333 HydrophobicContact CD2-CB 4.27Å; F326-I333 HydrophobicContact CD2-CD1 4.39Å; F326-I333 HydrophobicContact CD2-CG2 3.95Å; F326-I333 HydrophobicContact CE1-CD1 4.02Å; F326-I333 HydrophobicContact CE2-CG2 4.21Å; F326-I333 HydrophobicContact CG-CB 4.16Å; F326-I333 HydrophobicContact CG-CD1 3.66Å; F326-I333 HydrophobicContact CG-CG1 4.46Å; F326-I333 HydrophobicContact CG-CG2 4.25Å; F326-L450 HydrophobicContact CE1-CD1 4.2Å; F326-L450 HydrophobicContact CZ-CD1 3.87Å; F326-L454 HydrophobicContact CD1-CD2 4.08Å; F326-L454 HydrophobicContact CE1-CD1 4.42Å; F326-L454 HydrophobicContact CE1-CD2 3.83Å
327	L	94.9	Very high	88.9	Confident	58 Å²	58	76.1 Å²	76.1	30%	0.304	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	140.6	-173.2	-63	176.2	0	0	0	111.6	Y276 I277 E278 T325 F329	Y276-L327 HydrophobicContact CD2-CD1 3.52Å; Y276-L327 HydrophobicContact CE2-CD1 4.13Å; Y276-L327 HydrophobicContact CG-CD1 3.8Å; I277-L327 PolarHBondContact O-N 2.88Å; E278-L327 HydrophobicContact CB-CB 4.18Å; E278-L327 HydrophobicContact CG-CB 4.04Å; T325-L327 HydrophobicContact CG2-CD2 3.63Å; T325-L327 HydrophobicContact CG2-CG 4.23Å; L327-F329 WeakPolarHBondContact O-CD2 3.41Å; L327-F329 WeakPolarHBondContact O-CE2 3.41Å; L327-F329 PolarHBondContact O-N 2.74Å; L327-F329 VanDerWaalsContact O-N 3.14Å
328	N	93.4	Very high	88.4	Confident	133 Å²	133	77.7 Å²	77.7	71%	0.711	39%	0.391	S	S	*	.	S	Bend	trans	56.2	29.5	168.4	-56.5	-33.2	0	0	0	115.6	E278	E278-N328 HydrophobicContact CG-CB 4.38Å; E278-N328 PolarHBondContact OE1-ND2 3.2Å
329	F	93.3	Very high	88.5	Confident	15 Å²	15	85.4 Å²	85.4	7%	0.066	42%	0.42	C	S	.	.			trans	-81.2	138.2	171.2	-72.9	-92.9	0	0	0	111.1	I277 Y293 F326 L327 P331 P332 I333 H451 L454	I277-F329 HydrophobicContact CG2-CZ 4.44Å; I277-F329 WeakPolarHBondContact O-CE2 3.43Å; Y293-F329 HydrophobicContact CD1-CZ 4.31Å; Y293-F329 AromaticContact CE1-CE1 3.83Å; Y293-F329 HydrophobicContact CE1-CE1 3.83Å; Y293-F329 AromaticContact CE1-CZ 3.82Å; Y293-F329 HydrophobicContact CE1-CZ 3.82Å; F326-F329 HydrophobicContact CB-CD2 3.72Å; F326-F329 HydrophobicContact CB-CE2 3.74Å; F326-F329 AromaticContact CD1-CE2 3.97Å; F326-F329 HydrophobicContact CD1-CE2 3.97Å; F326-F329 HydrophobicContact CD1-CZ 4.3Å; F326-F329 HydrophobicContact CG-CE2 4.36Å; L327-F329 WeakPolarHBondContact O-CD2 3.41Å; L327-F329 WeakPolarHBondContact O-CE2 3.41Å; L327-F329 PolarHBondContact O-N 2.74Å; L327-F329 VanDerWaalsContact O-N 3.14Å; F329-P331 CarbonylContact C-O 3.55Å; F329-P331 CarbonylContact O-C 3.59Å; F329-P332 WeakPolarHBondContact O-CA 3.38Å; F329-I333 HydrophobicContact CB-CG1 4.27Å; F329-I333 HydrophobicContact CD1-CD1 3.75Å; F329-I333 HydrophobicContact CD1-CG1 4.17Å; F329-I333 HydrophobicContact CD2-CD1 3.95Å; F329-I333 HydrophobicContact CD2-CG1 4.44Å; F329-I333 HydrophobicContact CE1-CD1 3.78Å; F329-I333 HydrophobicContact CE2-CD1 3.99Å; F329-I333 HydrophobicContact CG-CD1 3.83Å; F329-I333 HydrophobicContact CG-CG1 4.04Å; F329-I333 HydrophobicContact CZ-CD1 3.9Å; F329-H451 HydrophobicContact CD1-CB 4.06Å; F329-H451 AromaticContact CD1-CD2 3.9Å; F329-H451 AromaticContact CD1-CG 3.81Å; F329-H451 HydrophobicContact CE1-CB 3.79Å; F329-H451 AromaticContact CE1-CG 3.74Å; F329-H451 AromaticContact CE1-ND1 3.96Å; F329-L454 HydrophobicContact CE1-CD2 4.01Å; F329-L454 HydrophobicContact CZ-CD2 3.9Å
330	D	89.7	Confident	88.9	Confident	146 Å²	146	78.5 Å²	78.5	78%	0.781	39%	0.394	S	S	*	.	S	Bend	trans	-128.9	110.8	173.4	-174.8	25.6	0	0	0	110.2
331	P	91.1	Very high	89.4	Confident	101 Å²	101	71.5 Å²	71.5	66%	0.656	36%	0.364	S	S	*	.	S	Bend	cis	-67.7	158.7	-3.7	30.8	-36	0	0	0	112.2	F329	F329-P331 CarbonylContact C-O 3.55Å; F329-P331 CarbonylContact O-C 3.59Å
332	P	92.4	Very high	89.8	Confident	105 Å²	105	72.6 Å²	72.6	68%	0.682	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-58	141.6	174.7	-24.3	33.9	0	0	0	112.1	F329 E334	F329-P332 WeakPolarHBondContact O-CA 3.38Å; P332-E334 PolarHBondContact O-N 2.93Å
333	I	91.8	Very high	90.4	Very high	27 Å²	27	72.5 Å²	72.5	14%	0.138	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-68.2	129.2	172.8	-67	173	0	0	0	108.8	F326 F329 F336 L450 L454	F326-I333 HydrophobicContact CB-CB 4.13Å; F326-I333 HydrophobicContact CB-CD1 3.91Å; F326-I333 HydrophobicContact CB-CG1 4.44Å; F326-I333 HydrophobicContact CD1-CD1 3.45Å; F326-I333 VanDerWaalsContact CD1-CD1 3.45Å; F326-I333 HydrophobicContact CD2-CB 4.27Å; F326-I333 HydrophobicContact CD2-CD1 4.39Å; F326-I333 HydrophobicContact CD2-CG2 3.95Å; F326-I333 HydrophobicContact CE1-CD1 4.02Å; F326-I333 HydrophobicContact CE2-CG2 4.21Å; F326-I333 HydrophobicContact CG-CB 4.16Å; F326-I333 HydrophobicContact CG-CD1 3.66Å; F326-I333 HydrophobicContact CG-CG1 4.46Å; F326-I333 HydrophobicContact CG-CG2 4.25Å; F329-I333 HydrophobicContact CB-CG1 4.27Å; F329-I333 HydrophobicContact CD1-CD1 3.75Å; F329-I333 HydrophobicContact CD1-CG1 4.17Å; F329-I333 HydrophobicContact CD2-CD1 3.95Å; F329-I333 HydrophobicContact CD2-CG1 4.44Å; F329-I333 HydrophobicContact CE1-CD1 3.78Å; F329-I333 HydrophobicContact CE2-CD1 3.99Å; F329-I333 HydrophobicContact CG-CD1 3.83Å; F329-I333 HydrophobicContact CG-CG1 4.04Å; F329-I333 HydrophobicContact CZ-CD1 3.9Å; I333-F336 HydrophobicContact CG2-CE2 4.11Å; I333-F336 HydrophobicContact CG2-CZ 4.41Å; I333-L450 HydrophobicContact CD1-CB 4.09Å; I333-L450 HydrophobicContact CG2-CD1 4.41Å; I333-L450 HydrophobicContact CG2-CD2 4.41Å; I333-L454 HydrophobicContact CD1-CD2 3.61Å
334	E	85.6	Confident	90.9	Very high	122 Å²	122	68 Å²	68	57%	0.57	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-56.1	139.1	-177.3	-173.2	174.3	-179.5	0	0	111.5	P332 F336 K444	P332-E334 PolarHBondContact O-N 2.93Å; E334-F336 VanDerWaalsContact O-CD2 3.31Å; E334-F336 WeakPolarHBondContact O-CD2 3.44Å; E334-F336 WeakPolarHBondContact O-CE2 3.5Å; E334-K444 IonicContact OE1-NZ 3.77Å; E334-K444 PolarHBondContact OE1-NZ 3.09Å; E334-K444 VanDerWaalsContact OE1-NZ 3.09Å; E334-K444 IonicContact OE2-NZ 3.15Å; E334-K444 PolarHBondContact OE2-NZ 3.35Å
335	E	84.7	Confident	91.1	Very high	107 Å²	107	67.2 Å²	67.2	50%	0.5	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-75.3	130.8	173.8	-75.2	-162.1	155.2	0	0	111.4	R319 H337	R319-E335 IonicContact CZ-OE1 3.73Å; R319-E335 IonicContact NH2-OE1 3.3Å; R319-E335 PolarHBondContact NH2-OE1 3.03Å; R319-E335 IonicContact NH2-OE2 2.7Å; R319-E335 PolarHBondContact NH2-OE2 3.14Å; E335-H337 PolarHBondContact O-N 3.21Å; E335-H337 PolarHBondContact O-ND1 2.83Å; E335-H337 IonicContact OE2-CE1 3.5Å; E335-H337 IonicContact OE2-NE2 3.72Å
336	F	86.3	Confident	91.3	Very high	37 Å²	37	64 Å²	64	16%	0.162	32%	0.32	C	S	.	.			trans	-90.4	108.3	-177.3	-57.1	-88.2	0	0	0	111.2	L317 N318 I333 E334 P446 L450 Y456	L317-F336 HydrophobicContact CB-CB 4.1Å; L317-F336 HydrophobicContact CB-CD1 4.45Å; L317-F336 HydrophobicContact CB-CD2 3.28Å; L317-F336 HydrophobicContact CB-CE2 3.76Å; L317-F336 HydrophobicContact CB-CG 3.67Å; L317-F336 HydrophobicContact CD1-CD2 3.88Å; L317-F336 HydrophobicContact CD1-CE2 3.38Å; L317-F336 HydrophobicContact CD1-CZ 3.77Å; L317-F336 HydrophobicContact CG-CD2 4.19Å; L317-F336 HydrophobicContact CG-CE2 4.19Å; N318-F336 WeakPolarHBondContact CA-O 3.33Å; I333-F336 HydrophobicContact CG2-CE2 4.11Å; I333-F336 HydrophobicContact CG2-CZ 4.41Å; E334-F336 VanDerWaalsContact O-CD2 3.31Å; E334-F336 WeakPolarHBondContact O-CD2 3.44Å; E334-F336 WeakPolarHBondContact O-CE2 3.5Å; F336-P446 HydrophobicContact CD1-CB 3.93Å; F336-P446 HydrophobicContact CE1-CB 3.49Å; F336-P446 VanDerWaalsContact CE1-CB 3.49Å; F336-L450 HydrophobicContact CZ-CD2 3.81Å; F336-Y456 HydrophobicContact CD1-CE1 4.22Å; F336-Y456 HydrophobicContact CE1-CD1 4.14Å; F336-Y456 AromaticContact CE1-CE1 3.96Å; F336-Y456 HydrophobicContact CE1-CE1 3.96Å; F336-Y456 HydrophobicContact CZ-CD1 4.39Å; F336-Y456 HydrophobicContact CZ-CE1 4.5Å
337	H	80.1	Confident	91.4	Very high	132 Å²	132	62.1 Å²	62.1	61%	0.611	31%	0.312	S	S	*	.			trans	-96.7	7.7	-176.3	-66.4	86.4	0	0	0	114.1	E335 Y339	E335-H337 PolarHBondContact O-N 3.21Å; E335-H337 PolarHBondContact O-ND1 2.83Å; E335-H337 IonicContact OE2-CE1 3.5Å; E335-H337 IonicContact OE2-NE2 3.72Å; H337-Y339 PolarHBondContact O-N 2.66Å
338	Q	81.6	Confident	91.5	Very high	45 Å²	45	59.4 Å²	59.4	21%	0.21	30%	0.297	C	S	.	.			trans	-64.6	118.8	-175.2	-165.3	172	45.1	0	0	111	N318 Y340 P437	N318-Q338 WeakPolarHBondContact CB-O 3.34Å; Q338-Y340 HydrophobicContact CG-CE2 4.3Å; Q338-P437 HydrophobicContact CG-CB 3.94Å
339	Y	87.9	Confident	91.5	Very high	173 Å²	173	53.4 Å²	53.4	68%	0.678	27%	0.265	S	S	*	.			trans	-75.4	147.2	173.1	-62.8	-78.6	0	0	0	110.1	H337 P437 H438	H337-Y339 PolarHBondContact O-N 2.66Å; Y339-P437 CarbonylContact O-C 3.59Å; Y339-P437 WeakPolarHBondContact O-CA 3.4Å; Y339-H438 PolarHBondContact O-N 3.18Å
340	Y	92.2	Very high	91.5	Very high	24 Å²	24	52.8 Å²	52.8	9%	0.094	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.8	176.6	-85.6	-123.3	0	0	0	109.7	P316 N318 Q338 H342 L434 Y436 P437	P316-Y340 HydrophobicContact CB-CE1 4.2Å; P316-Y340 HydrophobicContact CB-CE2 4.09Å; P316-Y340 WeakPolarHBondContact CB-OH 3.39Å; P316-Y340 HydrophobicContact CG-CE1 3.8Å; P316-Y340 WeakPolarHBondContact CG-OH 3.24Å; N318-Y340 WeakPolarHBondContact ND2-CD2 3.27Å; N318-Y340 WeakPolarHBondContact ND2-CE2 3.45Å; Q338-Y340 HydrophobicContact CG-CE2 4.3Å; Y340-H342 PolarHBondContact O-N 3.05Å; Y340-L434 HydrophobicContact CD1-CB 4.39Å; Y340-Y436 CarbonylContact C-O 3.6Å; Y340-Y436 WeakPolarHBondContact CA-O 3.31Å; Y340-Y436 WeakPolarHBondContact CB-O 3.45Å; Y340-P437 HydrophobicContact CE1-CG 4.28Å; Y340-P437 HydrophobicContact CE2-CG 4.09Å
341	Q	93.1	Very high	91.7	Very high	18 Å²	18	50 Å²	50	8%	0.084	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	122.9	172	-174.8	61.2	28.1	0	0	109.5	G226 Q227 I343 A435 Y436	G226-Q341 PolarHBondContact O-NE2 2.66Å; Q227-Q341 HydrophobicContact CG-CG 4.13Å; Q341-I343 HydrophobicContact CG-CD1 4.01Å; Q341-I343 HydrophobicContact CG-CG1 4.1Å; Q341-A435 PolarHBondContact O-N 3.01Å; Q341-Y436 PolarHBondContact N-O 2.81Å
342	H	94.2	Very high	91.7	Very high	51 Å²	51	45.5 Å²	45.5	24%	0.236	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.3	173.2	-175.3	-113.5	0	0	0	109.6	Y340 V344 Q410 P432 W433	Y340-H342 PolarHBondContact O-N 3.05Å; H342-V344 WeakPolarHBondContact CE1-CG2 3.47Å; H342-Q410 PolarHBondContact ND1-O 3.49Å; H342-P432 WeakPolarHBondContact NE2-CB 3.4Å; H342-W433 VanDerWaalsContact CA-O 3.3Å; H342-W433 WeakPolarHBondContact CA-O 3.23Å; H342-W433 PolarHBondContact CD2-O 3.22Å
343	I	95.5	Very high	91.7	Very high	7 Å²	7	42 Å²	42	4%	0.036	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	131.8	175.5	-60.7	-64.9	0	0	0	108.4	Q341 F408 W433 A435	Q341-I343 HydrophobicContact CG-CD1 4.01Å; Q341-I343 HydrophobicContact CG-CG1 4.1Å; I343-F408 HydrophobicContact CG2-CB 4.44Å; I343-F408 HydrophobicContact CG2-CD1 3.66Å; I343-F408 HydrophobicContact CG2-CE1 4.35Å; I343-F408 HydrophobicContact CG2-CG 4.45Å; I343-W433 PolarHBondContact N-O 3.32Å; I343-W433 WeakPolarHBondContact O-CA 3.39Å; I343-W433 WeakPolarHBondContact O-CB 3.24Å; I343-W433 PolarHBondContact O-N 2.88Å; I343-A435 HydrophobicContact CB-CB 4.08Å; I343-A435 HydrophobicContact CG1-CB 4Å
344	V	97.6	Very high	91.7	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.4	172.5	-173.8	0	0	0	0	108.3	H342 S409 K430 P432	H342-V344 WeakPolarHBondContact CE1-CG2 3.47Å; V344-S409 PolarHBondContact N-O 3.16Å; V344-S409 PolarHBondContact O-N 3.37Å; V344-S409 VanDerWaalsContact O-N 3.12Å; V344-K430 HydrophobicContact CG1-CB 4.09Å; V344-P432 HydrophobicContact CG2-CB 4.37Å
345	T	98.1	Very high	91.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.9	165.3	-58.6	0	0	0	0	108.3	M78 A87 K406 I407 F408 K430 K431 W433	M78-T345 HydrophobicContact CE-CG2 3.92Å; A87-T345 WeakPolarHBondContact O-CB 3.45Å; A87-T345 PolarHBondContact O-OG1 2.93Å; T345-K406 HydrophobicContact CG2-CD 4.19Å; T345-K406 HydrophobicContact CG2-CG 3.93Å; T345-I407 WeakPolarHBondContact CA-O 3.1Å; T345-F408 HydrophobicContact CG2-CE1 4.39Å; T345-F408 WeakPolarHBondContact OG1-CE1 3.1Å; T345-K430 CarbonylContact O-C 3.49Å; T345-K430 VanDerWaalsContact O-CA 3.23Å; T345-K430 WeakPolarHBondContact O-CA 3.47Å; T345-K431 PolarHBondContact N-O 3.06Å; T345-K431 PolarHBondContact O-N 3.03Å; T345-W433 PolarHBondContact OG1-NE1 2.84Å
346	T	98.3	Very high	92.2	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.025	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124	172.9	-52.2	0	0	0	0	108.8	V348 I407 L413 V429	T346-V348 HydrophobicContact CG2-CG2 3.86Å; T346-I407 PolarHBondContact N-O 2.91Å; T346-I407 PolarHBondContact O-N 3.03Å; T346-L413 HydrophobicContact CG2-CD1 4.49Å; T346-V429 CarbonylContact C-O 3.59Å; T346-V429 WeakPolarHBondContact CA-O 3.35Å
347	L	97.6	Very high	92.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.2	169.7	-65.3	174	0	0	0	108.9	M78 V80 Y85 V386 V404 W405 K406 A428 V429	M78-L347 HydrophobicContact CB-CD1 3.83Å; M78-L347 HydrophobicContact CE-CB 4.35Å; M78-L347 HydrophobicContact CE-CD1 3.62Å; M78-L347 HydrophobicContact CE-CG 3.62Å; V80-L347 HydrophobicContact CG2-CB 3.84Å; V80-L347 HydrophobicContact CG2-CD1 3.75Å; V80-L347 HydrophobicContact CG2-CG 4.47Å; Y85-L347 HydrophobicContact CD2-CD1 4.48Å; Y85-L347 HydrophobicContact CG-CD1 4.23Å; L347-V386 HydrophobicContact CD2-CG2 3.93Å; L347-V404 HydrophobicContact CB-CG1 4.34Å; L347-V404 HydrophobicContact CD2-CG1 4.24Å; L347-W405 CarbonylContact C-O 3.55Å; L347-W405 VanDerWaalsContact CA-O 3.29Å; L347-W405 WeakPolarHBondContact CA-O 3.29Å; L347-K406 HydrophobicContact CD2-CB 3.7Å; L347-K406 HydrophobicContact CD2-CD 4.35Å; L347-K406 HydrophobicContact CD2-CG 3.95Å; L347-A428 CarbonylContact O-C 3.45Å; L347-A428 VanDerWaalsContact O-CA 3.27Å; L347-A428 WeakPolarHBondContact O-CA 3.38Å; L347-V429 HydrophobicContact CB-CG1 3.9Å; L347-V429 HydrophobicContact CD1-CG1 4.36Å; L347-V429 PolarHBondContact N-O 3.41Å; L347-V429 PolarHBondContact O-N 3.48Å
348	V	96.5	Very high	92.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.5	179.4	-176	0	0	0	0	108.8	T346 W405 I407 I418 F422 Y425 Y427 A428	T346-V348 HydrophobicContact CG2-CG2 3.86Å; V348-W405 PolarHBondContact N-O 2.72Å; V348-W405 PolarHBondContact O-N 3.13Å; V348-I407 HydrophobicContact CG2-CD1 3.94Å; V348-I418 HydrophobicContact CG1-CG2 4.49Å; V348-F422 HydrophobicContact CB-CE1 4.27Å; V348-F422 HydrophobicContact CB-CE2 3.84Å; V348-F422 HydrophobicContact CB-CZ 3.71Å; V348-F422 HydrophobicContact CG1-CD1 4.16Å; V348-F422 HydrophobicContact CG1-CD2 3.93Å; V348-F422 HydrophobicContact CG1-CE1 4Å; V348-F422 HydrophobicContact CG1-CE2 3.76Å; V348-F422 HydrophobicContact CG1-CG 4.14Å; V348-F422 HydrophobicContact CG1-CZ 3.8Å; V348-F422 HydrophobicContact CG2-CE2 3.97Å; V348-F422 HydrophobicContact CG2-CZ 4.27Å; V348-Y425 HydrophobicContact CG1-CD2 4.3Å; V348-Y425 HydrophobicContact CG1-CG 4.09Å; V348-Y427 WeakPolarHBondContact CA-O 3.42Å; V348-A428 HydrophobicContact CG2-CB 4.13Å
349	K	94.8	Very high	92.8	Very high	8 Å²	8	33 Å²	33	4%	0.035	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.3	166.7	-178.8	178	164.1	169	0	108.4	V80 Q81 S398 D400 T402 Y403 V404 Y425 D426 Y427	V80-K349 HydrophobicContact CG1-CB 4.18Å; Q81-K349 HydrophobicContact CG-CD 4.38Å; Q81-K349 VanDerWaalsContact OE1-CD 3.22Å; K349-S398 WeakPolarHBondContact CE-OG 3.46Å; K349-S398 PolarHBondContact NZ-OG 3.13Å; K349-D400 WeakPolarHBondContact CE-OD2 3.33Å; K349-D400 IonicContact NZ-OD1 2.89Å; K349-D400 IonicContact NZ-OD2 3.19Å; K349-D400 PolarHBondContact NZ-OD2 2.78Å; K349-T402 WeakPolarHBondContact CE-OG1 3.47Å; K349-Y403 WeakPolarHBondContact CA-O 3.45Å; K349-V404 HydrophobicContact CB-CG2 4.26Å; K349-V404 HydrophobicContact CG-CG2 4.42Å; K349-Y425 CarbonylContact O-C 3.34Å; K349-Y425 WeakPolarHBondContact O-CA 3.48Å; K349-Y425 WeakPolarHBondContact O-CB 3.23Å; K349-D426 PolarHBondContact O-N 3.45Å; K349-Y427 PolarHBondContact N-O 3.48Å
350	G	93.4	Very high	92.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.4	-179.4	-176.4	0	0	0	0	0	115.4	Y403 W405 S424	G350-Y403 PolarHBondContact N-O 3.18Å; G350-W405 PolarHBondContact O-NE1 3.07Å; G350-S424 CarbonylContact C-O 3.58Å; G350-S424 VanDerWaalsContact CA-O 3.28Å; G350-S424 WeakPolarHBondContact CA-O 3.34Å
351	E	92.3	Very high	91.4	Very high	87 Å²	87	31 Å²	31	41%	0.407	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	115.8	178.4	-171.9	-178	-177.2	0	0	110.2	N353 F422 L423 S424	E351-N353 PolarHBondContact O-N 3.11Å; E351-F422 CarbonylContact O-C 3.44Å; E351-F422 VanDerWaalsContact O-CA 3.3Å; E351-F422 WeakPolarHBondContact O-CA 3.23Å; E351-L423 HydrophobicContact CG-CD1 4.26Å; E351-L423 PolarHBondContact O-N 2.84Å; E351-S424 PolarHBondContact N-O 3.11Å
352	L	92.4	Very high	90.4	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	133.2	-178.5	-173.9	75	0	0	0	111	T354 F357 F365 I383 W405 L421 F422	L352-T354 HydrophobicContact CD2-CG2 4.38Å; L352-T354 PolarHBondContact O-N 3.35Å; L352-T354 VanDerWaalsContact O-N 3.1Å; L352-F357 HydrophobicContact CD1-CE2 4.28Å; L352-F357 HydrophobicContact CD2-CD2 4.37Å; L352-F357 HydrophobicContact CD2-CE2 4.08Å; L352-F357 HydrophobicContact CG-CE2 4.49Å; L352-F365 HydrophobicContact CD2-CE1 3.93Å; L352-I383 HydrophobicContact CD1-CD1 3.46Å; L352-I383 VanDerWaalsContact CD1-CD1 3.46Å; L352-I383 HydrophobicContact CD1-CG1 4.49Å; L352-W405 HydrophobicContact CB-CH2 4.06Å; L352-W405 HydrophobicContact CB-CZ2 3.57Å; L352-W405 HydrophobicContact CD2-CH2 3.55Å; L352-W405 HydrophobicContact CD2-CZ2 4Å; L352-W405 HydrophobicContact CD2-CZ3 3.84Å; L352-W405 HydrophobicContact CG-CH2 4.32Å; L352-W405 HydrophobicContact CG-CZ2 4.3Å; L352-L421 WeakPolarHBondContact CD1-O 3.48Å; L352-F422 HydrophobicContact CD1-CE1 4.17Å; L352-F422 HydrophobicContact CD1-CZ 4.34Å
353	N	92.6	Very high	89.3	Confident	31 Å²	31	37.9 Å²	37.9	17%	0.166	22%	0.215	C	C	.	.			trans	-78.5	90.2	167.6	-177.1	12.1	0	0	0	110.4	E351 S355 I356 L421 L423	E351-N353 PolarHBondContact O-N 3.11Å; N353-S355 PolarHBondContact O-N 3.33Å; N353-S355 VanDerWaalsContact O-N 3.16Å; N353-S355 WeakPolarHBondContact OD1-CB 3.26Å; N353-S355 PolarHBondContact OD1-N 3.45Å; N353-S355 PolarHBondContact OD1-OG 2.89Å; N353-I356 WeakPolarHBondContact O-CG2 3.36Å; N353-I356 PolarHBondContact O-N 3.16Å; N353-L421 WeakPolarHBondContact CB-O 3.44Å; N353-L421 PolarHBondContact N-O 3.49Å; N353-L423 HydrophobicContact CB-CD2 3.81Å; N353-L423 HydrophobicContact CB-CG 3.89Å
354	T	90.9	Very high	88.3	Confident	7 Å²	7	44.1 Å²	44.1	4%	0.043	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-65.5	-18.8	-177.9	66.9	0	0	0	0	113.2	L352 I356 F357 S358 I362 F365	L352-T354 HydrophobicContact CD2-CG2 4.38Å; L352-T354 PolarHBondContact O-N 3.35Å; L352-T354 VanDerWaalsContact O-N 3.1Å; T354-I356 PolarHBondContact O-N 2.98Å; T354-I356 VanDerWaalsContact O-N 3.13Å; T354-F357 PolarHBondContact O-N 3.38Å; T354-S358 PolarHBondContact O-N 3.34Å; T354-I362 HydrophobicContact CG2-CG1 4.45Å; T354-I362 HydrophobicContact CG2-CG2 4.27Å; T354-I362 WeakPolarHBondContact OG1-CG1 3.36Å; T354-F365 HydrophobicContact CG2-CB 3.58Å; T354-F365 HydrophobicContact CG2-CD1 3.54Å; T354-F365 HydrophobicContact CG2-CD2 4.07Å; T354-F365 HydrophobicContact CG2-CE1 4.19Å; T354-F365 HydrophobicContact CG2-CG 3.45Å; T354-F365 VanDerWaalsContact CG2-CG 3.45Å
355	S	89.9	Confident	87.6	Confident	83 Å²	83	44.7 Å²	44.7	58%	0.58	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-64	-17.6	-180	91.9	0	0	0	0	113.1	N353 F357 S358	N353-S355 PolarHBondContact O-N 3.33Å; N353-S355 VanDerWaalsContact O-N 3.16Å; N353-S355 WeakPolarHBondContact OD1-CB 3.26Å; N353-S355 PolarHBondContact OD1-N 3.45Å; N353-S355 PolarHBondContact OD1-OG 2.89Å; S355-F357 VanDerWaalsContact C-N 3.3Å; S355-S358 WeakPolarHBondContact CA-O 3.23Å
356	I	91	Very high	86.9	Confident	32 Å²	32	47.3 Å²	47.3	16%	0.164	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-72.6	-25.3	175.8	-159.2	-178	0	0	0	112.3	Y121 N353 T354 K420 L421	Y121-I356 PolarHBondContact OH-O 2.93Å; N353-I356 WeakPolarHBondContact O-CG2 3.36Å; N353-I356 PolarHBondContact O-N 3.16Å; T354-I356 PolarHBondContact O-N 2.98Å; T354-I356 VanDerWaalsContact O-N 3.13Å; I356-K420 HydrophobicContact CD1-CD 4.27Å; I356-K420 HydrophobicContact CD1-CG 3.95Å; I356-L421 HydrophobicContact CD1-CD2 3.83Å
357	F	91.6	Very high	86.5	Confident	9 Å²	9	47.5 Å²	47.5	4%	0.039	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-30.3	-176.2	-57.9	-60.9	0	0	0	112.6	Y121 L352 T354 S355 F365 V370 I380 I383 L421	Y121-F357 AromaticContact CD1-CD1 3.92Å; Y121-F357 HydrophobicContact CD1-CD1 3.92Å; Y121-F357 HydrophobicContact CD1-CE1 4.25Å; Y121-F357 HydrophobicContact CD2-CB 4.41Å; Y121-F357 HydrophobicContact CD2-CD1 4.09Å; Y121-F357 HydrophobicContact CE1-CD1 4.31Å; Y121-F357 HydrophobicContact CE2-CD1 4.48Å; Y121-F357 AromaticContact CG-CD1 3.8Å; Y121-F357 HydrophobicContact CG-CD1 3.8Å; Y121-F357 HydrophobicContact CG-CE1 4.47Å; L352-F357 HydrophobicContact CD1-CE2 4.28Å; L352-F357 HydrophobicContact CD2-CD2 4.37Å; L352-F357 HydrophobicContact CD2-CE2 4.08Å; L352-F357 HydrophobicContact CG-CE2 4.49Å; T354-F357 PolarHBondContact O-N 3.38Å; S355-F357 VanDerWaalsContact C-N 3.3Å; F357-F365 HydrophobicContact CB-CE2 3.9Å; F357-F365 HydrophobicContact CB-CZ 4.09Å; F357-F365 HydrophobicContact CD2-CE2 4.44Å; F357-F365 AromaticContact CD2-CZ 3.9Å; F357-F365 HydrophobicContact CD2-CZ 3.9Å; F357-F365 HydrophobicContact CG-CZ 4.34Å; F357-V370 HydrophobicContact CD1-CG1 3.83Å; F357-V370 HydrophobicContact CD2-CG2 4.19Å; F357-V370 HydrophobicContact CE1-CB 4.45Å; F357-V370 HydrophobicContact CE1-CG1 3.87Å; F357-V370 HydrophobicContact CE2-CG2 4.35Å; F357-V370 HydrophobicContact CG-CG1 4.31Å; F357-V370 HydrophobicContact CG-CG2 4.35Å; F357-V370 HydrophobicContact CZ-CB 4.5Å; F357-V370 HydrophobicContact CZ-CG1 4.4Å; F357-I380 HydrophobicContact CZ-CD1 4.33Å; F357-I383 HydrophobicContact CE2-CG2 4.13Å; F357-I383 HydrophobicContact CZ-CG2 3.71Å; F357-L421 HydrophobicContact CZ-CD2 4.16Å
358	S	87.8	Confident	86.3	Confident	20 Å²	20	48.9 Å²	48.9	14%	0.14	28%	0.282	C	S	.	.			trans	-149.8	147.2	-173.1	-172	0	0	0	0	111.2	T354 S355 R360	T354-S358 PolarHBondContact O-N 3.34Å; S355-S358 WeakPolarHBondContact CA-O 3.23Å; S358-R360 PolarHBondContact O-N 2.9Å; S358-R360 WeakPolarHBondContact OG-CG 3.44Å; S358-R360 PolarHBondContact OG-N 3.49Å; S358-R360 PolarHBondContact OG-NE 3.27Å
359	S	81.5	Confident	86.1	Confident	130 Å²	130	51 Å²	51	91%	0.909	29%	0.294	S	S	*	.	S	Bend	trans	-77.4	-1.3	170.1	56.3	0	0	0	0	113.5
360	R	78.8	Confident	86.2	Confident	82 Å²	82	50.6 Å²	50.6	31%	0.309	29%	0.293	S	S	.	.	S	Bend	trans	-70.2	149.6	178.8	-68.3	-175.3	-56.9	-152.2	2.4	111.5	E129 S358 F365	E129-R360 IonicContact OE1-CZ 3.88Å; E129-R360 IonicContact OE1-NH1 3.57Å; E129-R360 PolarHBondContact OE1-NH1 3.37Å; E129-R360 IonicContact OE1-NH2 3.99Å; E129-R360 IonicContact OE2-CZ 3.98Å; E129-R360 IonicContact OE2-NH1 3.71Å; E129-R360 PolarHBondContact OE2-NH1 2.96Å; E129-R360 IonicContact OE2-NH2 3.11Å; E129-R360 PolarHBondContact OE2-NH2 3.46Å; S358-R360 PolarHBondContact O-N 2.9Å; S358-R360 WeakPolarHBondContact OG-CG 3.44Å; S358-R360 PolarHBondContact OG-N 3.49Å; S358-R360 PolarHBondContact OG-NE 3.27Å; R360-F365 PolarHBondContact NH2-O 3.23Å
361	P	72.5	Confident	86.4	Confident	73 Å²	73	51.2 Å²	51.2	47%	0.474	30%	0.296	S	S	.	.			trans	-57	148.1	170.1	-26.1	38.4	0	0	0	112.3	D363 K364 F365	P361-D363 VanDerWaalsContact C-N 3.28Å; P361-D363 WeakPolarHBondContact CB-OD1 3.19Å; P361-D363 PolarHBondContact O-N 3.33Å; P361-K364 WeakPolarHBondContact O-CA 3.46Å; P361-K364 PolarHBondContact O-N 3.11Å; P361-F365 PolarHBondContact O-N 3.23Å
362	I	71.4	Confident	86.6	Confident	83 Å²	83	47.1 Å²	47.1	43%	0.426	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-56	-41.8	-174.3	-64.7	163.6	0	0	0	111.6	T354 K364 F365 L423	T354-I362 HydrophobicContact CG2-CG1 4.45Å; T354-I362 HydrophobicContact CG2-CG2 4.27Å; T354-I362 WeakPolarHBondContact OG1-CG1 3.36Å; I362-K364 PolarHBondContact O-N 3.08Å; I362-K364 VanDerWaalsContact O-N 3.11Å; I362-F365 WeakPolarHBondContact O-CB 3.17Å; I362-F365 PolarHBondContact O-N 2.94Å; I362-F365 VanDerWaalsContact O-N 3.11Å; I362-L423 HydrophobicContact CD1-CD1 3.64Å
363	D	71.3	Confident	86.8	Confident	131 Å²	131	47.4 Å²	47.4	70%	0.701	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-62	-17.3	177.9	62.2	-54.5	0	0	0	113.6	P361	P361-D363 VanDerWaalsContact C-N 3.28Å; P361-D363 WeakPolarHBondContact CB-OD1 3.19Å; P361-D363 PolarHBondContact O-N 3.33Å
364	K	74.4	Confident	86.7	Confident	138 Å²	138	49.9 Å²	49.9	60%	0.6	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-111.6	4.7	-179.8	-60.7	-173.7	-178.1	178.7	0	113.3	P361 I362	P361-K364 WeakPolarHBondContact O-CA 3.46Å; P361-K364 PolarHBondContact O-N 3.11Å; I362-K364 PolarHBondContact O-N 3.08Å; I362-K364 VanDerWaalsContact O-N 3.11Å
365	F	82.3	Confident	86.7	Confident	11 Å²	11	51.6 Å²	51.6	5%	0.048	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-48.8	-179.2	-175.9	-113.8	0	0	0	111.2	L126 L352 T354 F357 R360 P361 I362 L367 V370	L126-F365 HydrophobicContact CD1-CE2 4.33Å; L352-F365 HydrophobicContact CD2-CE1 3.93Å; T354-F365 HydrophobicContact CG2-CB 3.58Å; T354-F365 HydrophobicContact CG2-CD1 3.54Å; T354-F365 HydrophobicContact CG2-CD2 4.07Å; T354-F365 HydrophobicContact CG2-CE1 4.19Å; T354-F365 HydrophobicContact CG2-CG 3.45Å; T354-F365 VanDerWaalsContact CG2-CG 3.45Å; F357-F365 HydrophobicContact CB-CE2 3.9Å; F357-F365 HydrophobicContact CB-CZ 4.09Å; F357-F365 HydrophobicContact CD2-CE2 4.44Å; F357-F365 AromaticContact CD2-CZ 3.9Å; F357-F365 HydrophobicContact CD2-CZ 3.9Å; F357-F365 HydrophobicContact CG-CZ 4.34Å; R360-F365 PolarHBondContact NH2-O 3.23Å; P361-F365 PolarHBondContact O-N 3.23Å; I362-F365 WeakPolarHBondContact O-CB 3.17Å; I362-F365 PolarHBondContact O-N 2.94Å; I362-F365 VanDerWaalsContact O-N 3.11Å; F365-L367 HydrophobicContact CD1-CB 4.13Å; F365-L367 HydrophobicContact CE1-CB 3.7Å; F365-L367 HydrophobicContact CE1-CD1 4.45Å; F365-L367 HydrophobicContact CE1-CG 4.42Å; F365-L367 HydrophobicContact CE2-CD1 4.03Å; F365-L367 HydrophobicContact CZ-CB 3.98Å; F365-L367 HydrophobicContact CZ-CD1 3.88Å; F365-L367 HydrophobicContact CZ-CG 4.3Å; F365-L367 PolarHBondContact O-N 3.25Å; F365-V370 HydrophobicContact CE1-CG2 4.35Å; F365-V370 HydrophobicContact CZ-CG2 3.83Å
366	G	84.1	Confident	86.5	Confident	55 Å²	55	53.3 Å²	53.3	57%	0.567	31%	0.313	S	S	*	.			trans	63.4	-6.3	167	0	0	0	0	0	117.1
367	L	90.3	Very high	86.4	Confident	8 Å²	8	58.2 Å²	58.2	4%	0.042	34%	0.339	C	S	.	.			trans	-86.1	132.5	178	-58.1	179.3	0	0	0	110.5	L117 L126 F365 V370	L117-L367 HydrophobicContact CB-CD2 3.85Å; L117-L367 CarbonylContact O-C 3.52Å; L117-L367 WeakPolarHBondContact O-CA 3.41Å; L126-L367 HydrophobicContact CD1-CD1 3.85Å; L126-L367 HydrophobicContact CD2-CD1 4.18Å; F365-L367 HydrophobicContact CD1-CB 4.13Å; F365-L367 HydrophobicContact CE1-CB 3.7Å; F365-L367 HydrophobicContact CE1-CD1 4.45Å; F365-L367 HydrophobicContact CE1-CG 4.42Å; F365-L367 HydrophobicContact CE2-CD1 4.03Å; F365-L367 HydrophobicContact CZ-CB 3.98Å; F365-L367 HydrophobicContact CZ-CD1 3.88Å; F365-L367 HydrophobicContact CZ-CG 4.3Å; F365-L367 PolarHBondContact O-N 3.25Å; L367-V370 HydrophobicContact CD1-CG2 4.41Å
368	S	91.8	Very high	86.4	Confident	30 Å²	30	59.3 Å²	59.3	21%	0.21	35%	0.345	C	S	.	.	S	Bend	trans	-91.8	-24.1	174.6	-51.5	0	0	0	0	111.8	G116 L117 G384 I385	G116-S368 WeakPolarHBondContact CA-OG 3.26Å; L117-S368 PolarHBondContact O-N 3.09Å; S368-G384 CarbonylContact O-C 3.4Å; S368-G384 WeakPolarHBondContact O-CA 3.34Å; S368-I385 PolarHBondContact O-N 2.67Å
369	T	94.1	Very high	86.7	Confident	43 Å²	43	60.6 Å²	60.6	26%	0.264	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	135.5	-178.4	-60.9	0	0	0	0	110.7	L117 L118 G119 L371 I383	L117-T369 PolarHBondContact O-N 3Å; L118-T369 CarbonylContact C-O 3.56Å; L118-T369 WeakPolarHBondContact CA-O 3.38Å; L118-T369 HydrophobicContact CD1-CG2 4.05Å; G119-T369 PolarHBondContact N-O 3.49Å; T369-L371 HydrophobicContact CG2-CD2 4.02Å; T369-L371 HydrophobicContact CG2-CG 4.42Å; T369-I383 CarbonylContact C-O 3.56Å; T369-I383 WeakPolarHBondContact CA-O 3.49Å
370	V	96.3	Very high	87.5	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.2	171.3	-175.8	0	0	0	0	109	G119 L126 F357 F365 L367 S382 I383	G119-V370 WeakPolarHBondContact O-CA 3.31Å; L126-V370 HydrophobicContact CD2-CG1 4.44Å; F357-V370 HydrophobicContact CD1-CG1 3.83Å; F357-V370 HydrophobicContact CD2-CG2 4.19Å; F357-V370 HydrophobicContact CE1-CB 4.45Å; F357-V370 HydrophobicContact CE1-CG1 3.87Å; F357-V370 HydrophobicContact CE2-CG2 4.35Å; F357-V370 HydrophobicContact CG-CG1 4.31Å; F357-V370 HydrophobicContact CG-CG2 4.35Å; F357-V370 HydrophobicContact CZ-CB 4.5Å; F357-V370 HydrophobicContact CZ-CG1 4.4Å; F365-V370 HydrophobicContact CE1-CG2 4.35Å; F365-V370 HydrophobicContact CZ-CG2 3.83Å; L367-V370 HydrophobicContact CD1-CG2 4.41Å; V370-S382 VanDerWaalsContact O-CA 3.29Å; V370-S382 WeakPolarHBondContact O-CA 3.45Å; V370-I383 HydrophobicContact CB-CG2 3.89Å; V370-I383 HydrophobicContact CG2-CG2 4.49Å; V370-I383 PolarHBondContact N-O 2.71Å; V370-I383 PolarHBondContact O-N 2.93Å
371	L	97	Very high	88.3	Confident	14 Å²	14	51.1 Å²	51.1	7%	0.073	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	152.9	170.8	-56	-179.9	0	0	0	110	L118 G119 I120 Y121 P219 V223 T369	L118-L371 HydrophobicContact CD1-CB 4.31Å; L118-L371 HydrophobicContact CD1-CD1 3.64Å; L118-L371 HydrophobicContact CD1-CD2 4.48Å; L118-L371 HydrophobicContact CD1-CG 3.47Å; L118-L371 VanDerWaalsContact CD1-CG 3.47Å; L118-L371 HydrophobicContact CD2-CD1 4.22Å; G119-L371 PolarHBondContact O-N 2.85Å; I120-L371 WeakPolarHBondContact CA-O 3.3Å; Y121-L371 PolarHBondContact N-O 3.24Å; P219-L371 HydrophobicContact CB-CB 3.8Å; P219-L371 HydrophobicContact CB-CD1 4.26Å; V223-L371 HydrophobicContact CB-CD2 3.81Å; V223-L371 HydrophobicContact CG1-CD1 4.43Å; V223-L371 HydrophobicContact CG1-CD2 4.03Å; V223-L371 HydrophobicContact CG2-CD2 3.92Å; T369-L371 HydrophobicContact CG2-CD2 4.02Å; T369-L371 HydrophobicContact CG2-CG 4.42Å
372	T	96.9	Very high	89.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.8	176.8	63.8	0	0	0	0	112.4	Y121 P219 R222 L378 I380 N381	Y121-T372 WeakPolarHBondContact O-CA 3.45Å; P219-T372 WeakPolarHBondContact CA-O 3.29Å; R222-T372 WeakPolarHBondContact CD-O 3.33Å; R222-T372 PolarHBondContact NE-O 2.84Å; R222-T372 PolarHBondContact NE-OG1 3.2Å; R222-T372 PolarHBondContact NH2-OG1 3.46Å; T372-L378 HydrophobicContact CG2-CD1 3.92Å; T372-I380 HydrophobicContact CG2-CG1 4.01Å; T372-I380 WeakPolarHBondContact CG2-O 3.41Å; T372-I380 PolarHBondContact OG1-O 2.72Å; T372-N381 PolarHBondContact N-O 3.45Å; T372-N381 VanDerWaalsContact N-O 3.12Å; T372-N381 WeakPolarHBondContact OG1-CA 3.41Å; T372-N381 PolarHBondContact OG1-O 3.02Å
373	T	95.9	Very high	90.6	Very high	14 Å²	14	44 Å²	44	9%	0.086	25%	0.253	C	S	.	.			trans	-69.7	171	167.5	67.8	0	0	0	0	110.6	I120 Y121 N122 V127 P219 R222 N375	I120-T373 HydrophobicContact CG2-CG2 3.87Å; Y121-T373 PolarHBondContact O-N 3.32Å; N122-T373 VanDerWaalsContact CA-OG1 3.29Å; N122-T373 WeakPolarHBondContact CA-OG1 3.42Å; N122-T373 HydrophobicContact CB-CG2 3.98Å; V127-T373 HydrophobicContact CG2-CG2 4.47Å; P219-T373 HydrophobicContact CG-CG2 4.2Å; R222-T373 PolarHBondContact NE-O 3.44Å; R222-T373 VanDerWaalsContact NE-O 3.14Å; T373-N375 PolarHBondContact O-N 3.11Å
374	D	91.8	Very high	91.8	Very high	84 Å²	84	38.1 Å²	38.1	45%	0.449	22%	0.223	S	C	.	.	S	Bend	trans	-74.7	92.8	175.8	-156.6	18	0	0	0	111.2	A218 R222 S228	A218-D374 HydrophobicContact CB-CB 4.3Å; R222-D374 IonicContact CZ-OD1 2.75Å; R222-D374 IonicContact NH1-OD1 2.84Å; R222-D374 PolarHBondContact NH1-OD1 3.46Å; S228-D374 WeakPolarHBondContact CB-OD2 2.94Å
375	N	90.4	Very high	92.6	Very high	42 Å²	42	32.6 Å²	32.6	23%	0.225	20%	0.2	C	C	.	.			trans	-136.7	123.8	179.2	-179.3	-19.4	0	0	0	108.5	N122 T373 D377 L378	N122-N375 PolarHBondContact O-ND2 3.02Å; T373-N375 PolarHBondContact O-N 3.11Å; N375-D377 PolarHBondContact O-N 2.83Å; N375-D377 WeakPolarHBondContact OD1-CB 3.44Å; N375-D377 PolarHBondContact OD1-N 2.88Å; N375-L378 HydrophobicContact CB-CD1 3.87Å; N375-L378 HydrophobicContact CB-CG 4.01Å; N375-L378 WeakPolarHBondContact O-CB 3.26Å; N375-L378 PolarHBondContact O-N 2.78Å; N375-L378 VanDerWaalsContact O-N 3.13Å
376	S	85.1	Confident	93.1	Very high	120 Å²	120	33.6 Å²	33.6	84%	0.839	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.3	-177.3	53.3	0	0	0	0	114	L378	S376-L378 VanDerWaalsContact C-N 3.25Å; S376-L378 PolarHBondContact O-N 3.45Å
377	D	88.6	Confident	93.4	Very high	135 Å²	135	32 Å²	32	72%	0.722	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-10.7	179.9	-61.6	-23.1	0	0	0	112.3	N375	N375-D377 PolarHBondContact O-N 2.83Å; N375-D377 WeakPolarHBondContact OD1-CB 3.44Å; N375-D377 PolarHBondContact OD1-N 2.88Å
378	L	92.8	Very high	93.4	Very high	31 Å²	31	31.8 Å²	31.8	16%	0.162	19%	0.186	C	C	.	.			trans	-89.8	117.3	178.6	-63.7	179.5	0	0	0	111.3	Y121 T372 N375 S376 I380	Y121-L378 HydrophobicContact CD1-CD1 4.48Å; Y121-L378 HydrophobicContact CD1-CD2 4.22Å; Y121-L378 HydrophobicContact CE1-CD2 3.97Å; T372-L378 HydrophobicContact CG2-CD1 3.92Å; N375-L378 HydrophobicContact CB-CD1 3.87Å; N375-L378 HydrophobicContact CB-CG 4.01Å; N375-L378 WeakPolarHBondContact O-CB 3.26Å; N375-L378 PolarHBondContact O-N 2.78Å; N375-L378 VanDerWaalsContact O-N 3.13Å; S376-L378 VanDerWaalsContact C-N 3.25Å; S376-L378 PolarHBondContact O-N 3.45Å; L378-I380 VanDerWaalsContact C-N 3.31Å; L378-I380 PolarHBondContact O-N 2.93Å
379	F	94.5	Very high	93.3	Very high	48 Å²	48	30.9 Å²	30.9	21%	0.211	18%	0.18	C	C	.	.	S	Bend	trans	-86.2	1.6	-179.6	61.5	-92.1	0	0	0	114.3	S409 L413 Q417 K420 L421	F379-S409 WeakPolarHBondContact O-CB 3.39Å; F379-L413 HydrophobicContact CD2-CD2 3.79Å; F379-L413 HydrophobicContact CE2-CD2 4.31Å; F379-Q417 HydrophobicContact CD1-CG 4.47Å; F379-Q417 HydrophobicContact CD2-CB 4.01Å; F379-Q417 HydrophobicContact CD2-CG 3.85Å; F379-Q417 HydrophobicContact CE2-CB 3.71Å; F379-Q417 HydrophobicContact CE2-CG 3.91Å; F379-Q417 HydrophobicContact CG-CG 4.15Å; F379-Q417 HydrophobicContact CZ-CB 4.24Å; F379-Q417 HydrophobicContact CZ-CG 4.26Å; F379-K420 HydrophobicContact CE1-CD 4.1Å; F379-K420 HydrophobicContact CZ-CD 4.26Å; F379-L421 HydrophobicContact CE2-CD1 3.87Å; F379-L421 HydrophobicContact CE2-CD2 4.45Å; F379-L421 HydrophobicContact CE2-CG 4.08Å; F379-L421 HydrophobicContact CZ-CD1 4.4Å; F379-L421 HydrophobicContact CZ-CD2 4.25Å; F379-L421 HydrophobicContact CZ-CG 4.11Å
380	I	96.6	Very high	93	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.031	20%	0.196	C	C	.	.			trans	-127.3	150.4	173.6	64.2	170.3	0	0	0	110.9	R222 F357 T372 L378 I383 I407 L413 L421	R222-I380 PolarHBondContact NH2-O 3.46Å; F357-I380 HydrophobicContact CZ-CD1 4.33Å; T372-I380 HydrophobicContact CG2-CG1 4.01Å; T372-I380 WeakPolarHBondContact CG2-O 3.41Å; T372-I380 PolarHBondContact OG1-O 2.72Å; L378-I380 VanDerWaalsContact C-N 3.31Å; L378-I380 PolarHBondContact O-N 2.93Å; I380-I383 HydrophobicContact CD1-CB 4.13Å; I380-I383 HydrophobicContact CD1-CG2 3.9Å; I380-I407 HydrophobicContact CB-CG2 4.1Å; I380-I407 HydrophobicContact CG2-CG2 3.55Å; I380-L413 HydrophobicContact CG2-CD2 4.16Å; I380-L421 HydrophobicContact CD1-CD2 4.13Å; I380-L421 HydrophobicContact CG2-CD1 4.11Å
381	N	96.1	Very high	92.3	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.032	21%	0.212	C	C	.	.	S	Bend	trans	-89.3	-39	173.1	-62.3	43.4	0	0	0	110.3	R222 G226 T372 F408	R222-N381 HydrophobicContact CB-CB 4.41Å; R222-N381 WeakPolarHBondContact O-CB 3.39Å; R222-N381 PolarHBondContact O-ND2 2.82Å; G226-N381 VanDerWaalsContact CA-ND2 3.31Å; G226-N381 WeakPolarHBondContact CA-ND2 3.09Å; T372-N381 PolarHBondContact N-O 3.45Å; T372-N381 VanDerWaalsContact N-O 3.12Å; T372-N381 WeakPolarHBondContact OG1-CA 3.41Å; T372-N381 PolarHBondContact OG1-O 3.02Å; N381-F408 HydrophobicContact CB-CB 4.11Å; N381-F408 WeakPolarHBondContact CB-O 3.45Å; N381-F408 PolarHBondContact N-O 2.89Å
382	S	96.6	Very high	91	Very high	6 Å²	6	45.5 Å²	45.5	4%	0.042	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	161.4	176.7	57.4	0	0	0	0	111.1	V223 V370 I407 F408	V223-S382 WeakPolarHBondContact CG2-OG 3.45Å; V370-S382 VanDerWaalsContact O-CA 3.29Å; V370-S382 WeakPolarHBondContact O-CA 3.45Å; S382-I407 WeakPolarHBondContact O-CA 3.47Å; S382-I407 WeakPolarHBondContact O-CG2 3.13Å; S382-F408 PolarHBondContact N-O 3.25Å; S382-F408 PolarHBondContact O-N 3.16Å; S382-F408 VanDerWaalsContact O-N 3.12Å; S382-F408 WeakPolarHBondContact OG-CD2 3.1Å
383	I	96.8	Very high	89.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	132.8	168.1	-180	163.6	0	0	0	108.4	L352 F357 T369 V370 I380 W405 K406 I407 F422	L352-I383 HydrophobicContact CD1-CD1 3.46Å; L352-I383 VanDerWaalsContact CD1-CD1 3.46Å; L352-I383 HydrophobicContact CD1-CG1 4.49Å; F357-I383 HydrophobicContact CE2-CG2 4.13Å; F357-I383 HydrophobicContact CZ-CG2 3.71Å; T369-I383 CarbonylContact C-O 3.56Å; T369-I383 WeakPolarHBondContact CA-O 3.49Å; V370-I383 HydrophobicContact CB-CG2 3.89Å; V370-I383 HydrophobicContact CG2-CG2 4.49Å; V370-I383 PolarHBondContact N-O 2.71Å; V370-I383 PolarHBondContact O-N 2.93Å; I380-I383 HydrophobicContact CD1-CB 4.13Å; I380-I383 HydrophobicContact CD1-CG2 3.9Å; I383-W405 HydrophobicContact CD1-CB 4.47Å; I383-W405 HydrophobicContact CD1-CE3 4.22Å; I383-W405 HydrophobicContact CG1-CB 4.36Å; I383-W405 HydrophobicContact CG1-CD2 4.45Å; I383-W405 HydrophobicContact CG1-CE3 3.73Å; I383-W405 HydrophobicContact CG1-CZ3 4.46Å; I383-K406 CarbonylContact C-O 3.51Å; I383-K406 WeakPolarHBondContact CA-O 3.48Å; I383-I407 HydrophobicContact CB-CG1 4.18Å; I383-I407 HydrophobicContact CD1-CD1 4.06Å; I383-I407 HydrophobicContact CD1-CG1 3.79Å; I383-I407 HydrophobicContact CG1-CG1 3.79Å; I383-F422 HydrophobicContact CD1-CE2 4.27Å; I383-F422 HydrophobicContact CD1-CZ 3.85Å
384	G	94.6	Very high	88.3	Confident	8 Å²	8	57.4 Å²	57.4	8%	0.082	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	154.1	177.8	0	0	0	0	0	113.3	S368 W405 K406	S368-G384 CarbonylContact O-C 3.4Å; S368-G384 WeakPolarHBondContact O-CA 3.34Å; G384-W405 CarbonylContact O-C 3.32Å; G384-W405 WeakPolarHBondContact O-CA 3.41Å; G384-K406 PolarHBondContact N-O 2.6Å; G384-K406 PolarHBondContact O-N 3.34Å
385	I	93.2	Very high	87.2	Confident	22 Å²	22	54.7 Å²	54.7	11%	0.113	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	139	173.8	-59.9	174	0	0	0	108.8	S368 P395 Y403 W405	S368-I385 PolarHBondContact O-N 2.67Å; I385-P395 HydrophobicContact CG2-CB 3.53Å; I385-P395 HydrophobicContact CG2-CG 3.91Å; I385-Y403 HydrophobicContact CD1-CD1 4Å; I385-Y403 HydrophobicContact CD1-CD2 4.09Å; I385-Y403 HydrophobicContact CD1-CE1 4.28Å; I385-Y403 HydrophobicContact CD1-CE2 4.39Å; I385-Y403 HydrophobicContact CD1-CG 3.88Å; I385-Y403 HydrophobicContact CG1-CD1 4.47Å; I385-Y403 HydrophobicContact CG1-CG 4.26Å; I385-Y403 HydrophobicContact CG2-CD1 3.62Å; I385-Y403 HydrophobicContact CG2-CE1 4.38Å; I385-Y403 HydrophobicContact CG2-CG 4.1Å; I385-W405 HydrophobicContact CD1-CH2 3.8Å; I385-W405 HydrophobicContact CD1-CZ2 4Å; I385-W405 HydrophobicContact CD1-CZ3 4.29Å; I385-W405 HydrophobicContact CG1-CD2 4.07Å; I385-W405 HydrophobicContact CG1-CE3 3.81Å; I385-W405 HydrophobicContact CG1-CH2 3.5Å; I385-W405 HydrophobicContact CG1-CZ2 3.76Å; I385-W405 HydrophobicContact CG1-CZ3 3.54Å
386	V	92	Very high	86	Confident	33 Å²	33	59.6 Å²	59.6	20%	0.2	30%	0.303	C	S	.	.			trans	-130.1	141.4	176	-70.1	0	0	0	0	111.3	Y85 L347 V404 K406	Y85-V386 HydrophobicContact CD1-CB 4.44Å; Y85-V386 HydrophobicContact CD1-CG2 3.82Å; Y85-V386 HydrophobicContact CE1-CG2 4.42Å; Y85-V386 WeakPolarHBondContact CE1-O 3.4Å; L347-V386 HydrophobicContact CD2-CG2 3.93Å; V386-V404 HydrophobicContact CG2-CB 4.41Å; V386-V404 HydrophobicContact CG2-CG1 3.99Å; V386-V404 PolarHBondContact N-O 3Å; V386-K406 HydrophobicContact CB-CB 4.39Å; V386-K406 HydrophobicContact CG1-CB 3.51Å; V386-K406 HydrophobicContact CG1-CD 3.95Å; V386-K406 HydrophobicContact CG1-CG 4.39Å; V386-K406 HydrophobicContact CG2-CB 3.91Å
387	S	89.4	Confident	85.3	Confident	20 Å²	20	56.5 Å²	56.5	14%	0.14	28%	0.28	C	S	.	.			trans	-84.2	158	172.2	-55	0	0	0	0	112	Y85 E391 P395	Y85-S387 WeakPolarHBondContact CD1-O 3.46Å; Y85-S387 VanDerWaalsContact CE1-C 3.45Å; S387-E391 WeakPolarHBondContact CA-OE2 3.34Å; S387-E391 VanDerWaalsContact CB-OE2 3.29Å; S387-E391 WeakPolarHBondContact CB-OE2 3.49Å; S387-P395 VanDerWaalsContact OG-CA 3.27Å; S387-P395 WeakPolarHBondContact OG-CA 3.11Å; S387-P395 VanDerWaalsContact OG-CB 3.32Å; S387-P395 WeakPolarHBondContact OG-CB 3.15Å; S387-P395 VanDerWaalsContact OG-CG 3.27Å; S387-P395 WeakPolarHBondContact OG-CG 3.39Å
388	S	91.1	Very high	84.3	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.028	26%	0.258	C	S	.	.			trans	-61.6	148.2	168.6	174.6	0	0	0	0	110	Q83 E84 R390 E391	Q83-S388 PolarHBondContact OE1-OG 3.18Å; Q83-S388 VanDerWaalsContact OE1-OG 3.04Å; E84-S388 WeakPolarHBondContact O-CA 3.16Å; E84-S388 PolarHBondContact O-OG 2.72Å; S388-R390 PolarHBondContact O-N 2.77Å; S388-E391 PolarHBondContact N-OE2 2.89Å; S388-E391 PolarHBondContact O-N 3.33Å
389	V	90.6	Very high	83.1	Confident	11 Å²	11	57.9 Å²	57.9	7%	0.067	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-9.6	178.4	-60.7	0	0	0	0	114	T77 E84 E86 E251 G252	T77-V389 HydrophobicContact CG2-CG1 4.06Å; E84-V389 HydrophobicContact CB-CG2 3.74Å; E84-V389 WeakPolarHBondContact O-CG2 3.48Å; E84-V389 PolarHBondContact O-N 2.85Å; E86-V389 HydrophobicContact CG-CG1 4Å; E251-V389 CarbonylContact C-O 3.43Å; E251-V389 WeakPolarHBondContact CA-O 3.35Å; G252-V389 PolarHBondContact N-O 2.98Å
390	R	86.3	Confident	82.1	Confident	161 Å²	161	59.5 Å²	59.5	61%	0.608	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-11	177.9	-61.5	-175.8	-178.3	-179.2	1.7	113.7	S388	S388-R390 PolarHBondContact O-N 2.77Å
391	E	81.7	Confident	81	Confident	72 Å²	72	61.6 Å²	61.6	34%	0.336	33%	0.33	S	S	.	.			trans	-77.1	136.4	179	-79.2	163.7	-172.4	0	0	110	S387 S388	S387-E391 WeakPolarHBondContact CA-OE2 3.34Å; S387-E391 VanDerWaalsContact CB-OE2 3.29Å; S387-E391 WeakPolarHBondContact CB-OE2 3.49Å; S388-E391 PolarHBondContact N-OE2 2.89Å; S388-E391 PolarHBondContact O-N 3.33Å
392	K	69.4	Low	80.4	Confident	132 Å²	132	62.4 Å²	62.4	57%	0.574	34%	0.335	S	S	*	.			trans	-102.9	-13	-176.4	-61.4	-167.6	174.9	-169.4	0	113.3	V111 E251	V111-K392 HydrophobicContact CG1-CG 4.07Å; E251-K392 VanDerWaalsContact CD-NZ 3.34Å; E251-K392 WeakPolarHBondContact OE1-CE 3.43Å; E251-K392 IonicContact OE1-NZ 3.44Å; E251-K392 PolarHBondContact OE1-NZ 2.93Å; E251-K392 VanDerWaalsContact OE1-NZ 3.12Å; E251-K392 WeakPolarHBondContact OE2-CE 3.19Å; E251-K392 IonicContact OE2-NZ 3.13Å; E251-K392 PolarHBondContact OE2-NZ 2.77Å
393	E	68.4	Low	80.2	Confident	152 Å²	152	65.8 Å²	65.8	71%	0.71	35%	0.348	S	S	*	.	S	Bend	trans	-115.4	177.1	-176	-63.1	-173.6	-178.1	0	0	110.1
394	D	67.6	Low	80	Confident	113 Å²	113	66.2 Å²	66.2	60%	0.604	35%	0.35	S	S	*	.	S	Bend	trans	-56.2	153.8	178.2	-73.4	-36.4	0	0	0	111.3	E396	D394-E396 PolarHBondContact O-N 3.39Å
395	P	69.1	Low	80.1	Confident	27 Å²	27	66.5 Å²	66.5	18%	0.175	35%	0.349	C	S	.	.			trans	-60.6	114	-174.7	-9.7	21	0	0	0	110.1	I385 S387	I385-P395 HydrophobicContact CG2-CB 3.53Å; I385-P395 HydrophobicContact CG2-CG 3.91Å; S387-P395 VanDerWaalsContact OG-CA 3.27Å; S387-P395 WeakPolarHBondContact OG-CA 3.11Å; S387-P395 VanDerWaalsContact OG-CB 3.32Å; S387-P395 WeakPolarHBondContact OG-CB 3.15Å; S387-P395 VanDerWaalsContact OG-CG 3.27Å; S387-P395 WeakPolarHBondContact OG-CG 3.39Å
396	E	66.6	Low	80.2	Confident	145 Å²	145	66.1 Å²	66.1	68%	0.678	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-85.2	145.4	169.2	-69	-160.6	152	0	0	109.8	D394	D394-E396 PolarHBondContact O-N 3.39Å
397	P	69.4	Low	80.5	Confident	55 Å²	55	64.5 Å²	64.5	36%	0.357	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-61.3	147.7	170	26.8	-31.8	0	0	0	109.2	T402 Y403	P397-T402 CarbonylContact C-O 3.34Å; P397-T402 WeakPolarHBondContact CA-O 3.19Å; P397-Y403 HydrophobicContact CB-CD1 4.3Å; P397-Y403 HydrophobicContact CB-CE1 3.88Å; P397-Y403 HydrophobicContact CB-CE2 4.11Å; P397-Y403 HydrophobicContact CG-CE1 4.35Å
398	S	66.6	Low	80.9	Confident	38 Å²	38	65.3 Å²	65.3	27%	0.266	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-60.5	170.9	173	51.8	0	0	0	0	111.7	K349 D400 G401 T402	K349-S398 WeakPolarHBondContact CE-OG 3.46Å; K349-S398 PolarHBondContact NZ-OG 3.13Å; S398-D400 PolarHBondContact O-N 2.99Å; S398-D400 PolarHBondContact OG-OD1 2.86Å; S398-G401 PolarHBondContact O-N 3.22Å; S398-T402 PolarHBondContact N-O 2.68Å; S398-T402 PolarHBondContact OG-O 2.86Å; S398-T402 PolarHBondContact OG-OG1 2.97Å; S398-T402 VanDerWaalsContact OG-OG1 3.13Å
399	T	68.1	Low	81.2	Confident	157 Å²	157	65.1 Å²	65.1	96%	0.963	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-17.3	-174.8	54.1	0	0	0	0	115.1
400	D	72.9	Confident	81.3	Confident	81 Å²	81	69.8 Å²	69.8	43%	0.433	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	3.8	175.5	53.6	21.3	0	0	0	114.2	K349 S398 T402	K349-D400 WeakPolarHBondContact CE-OD2 3.33Å; K349-D400 IonicContact NZ-OD1 2.89Å; K349-D400 IonicContact NZ-OD2 3.19Å; K349-D400 PolarHBondContact NZ-OD2 2.78Å; S398-D400 PolarHBondContact O-N 2.99Å; S398-D400 PolarHBondContact OG-OD1 2.86Å; D400-T402 PolarHBondContact OD1-N 2.82Å; D400-T402 VanDerWaalsContact OD1-N 3.1Å; D400-T402 PolarHBondContact OD1-OG1 3.1Å
401	G	74.6	Confident	81.7	Confident	50 Å²	50	67.9 Å²	67.9	52%	0.515	36%	0.355	S	S	.	.	S	Bend	trans	85.6	3.8	179.9	0	0	0	0	0	115.3	S398	S398-G401 PolarHBondContact O-N 3.22Å
402	T	84	Confident	82.4	Confident	24 Å²	24	67 Å²	67	15%	0.147	36%	0.355	C	S	.	.			trans	-98.2	161.6	-179	65.3	0	0	0	0	112.9	K349 P397 S398 D400	K349-T402 WeakPolarHBondContact CE-OG1 3.47Å; P397-T402 CarbonylContact C-O 3.34Å; P397-T402 WeakPolarHBondContact CA-O 3.19Å; S398-T402 PolarHBondContact N-O 2.68Å; S398-T402 PolarHBondContact OG-O 2.86Å; S398-T402 PolarHBondContact OG-OG1 2.97Å; S398-T402 VanDerWaalsContact OG-OG1 3.13Å; D400-T402 PolarHBondContact OD1-N 2.82Å; D400-T402 VanDerWaalsContact OD1-N 3.1Å; D400-T402 PolarHBondContact OD1-OG1 3.1Å
403	Y	91.1	Very high	83.8	Confident	77 Å²	77	61.4 Å²	61.4	30%	0.302	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	159.5	177.7	-67.3	-83.8	0	0	0	111.7	K349 G350 I385 P397	K349-Y403 WeakPolarHBondContact CA-O 3.45Å; G350-Y403 PolarHBondContact N-O 3.18Å; I385-Y403 HydrophobicContact CD1-CD1 4Å; I385-Y403 HydrophobicContact CD1-CD2 4.09Å; I385-Y403 HydrophobicContact CD1-CE1 4.28Å; I385-Y403 HydrophobicContact CD1-CE2 4.39Å; I385-Y403 HydrophobicContact CD1-CG 3.88Å; I385-Y403 HydrophobicContact CG1-CD1 4.47Å; I385-Y403 HydrophobicContact CG1-CG 4.26Å; I385-Y403 HydrophobicContact CG2-CD1 3.62Å; I385-Y403 HydrophobicContact CG2-CE1 4.38Å; I385-Y403 HydrophobicContact CG2-CG 4.1Å; P397-Y403 HydrophobicContact CB-CD1 4.3Å; P397-Y403 HydrophobicContact CB-CE1 3.88Å; P397-Y403 HydrophobicContact CB-CE2 4.11Å; P397-Y403 HydrophobicContact CG-CE1 4.35Å
404	V	94	Very high	85.1	Confident	9 Å²	9	57.7 Å²	57.7	6%	0.055	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.6	164	-178.3	0	0	0	0	109	V80 Y85 L347 K349 V386	V80-V404 HydrophobicContact CG1-CG1 4.48Å; V80-V404 HydrophobicContact CG1-CG2 4.06Å; Y85-V404 HydrophobicContact CD1-CB 4.47Å; Y85-V404 HydrophobicContact CD1-CG1 4.15Å; Y85-V404 HydrophobicContact CE1-CB 3.87Å; Y85-V404 HydrophobicContact CE1-CG1 4Å; Y85-V404 HydrophobicContact CE1-CG2 4.06Å; Y85-V404 HydrophobicContact CE2-CG1 4.46Å; Y85-V404 HydrophobicContact CE2-CG2 4.25Å; Y85-V404 HydrophobicContact CG-CG1 4.44Å; Y85-V404 WeakPolarHBondContact OH-CG2 3.39Å; L347-V404 HydrophobicContact CB-CG1 4.34Å; L347-V404 HydrophobicContact CD2-CG1 4.24Å; K349-V404 HydrophobicContact CB-CG2 4.26Å; K349-V404 HydrophobicContact CG-CG2 4.42Å; V386-V404 HydrophobicContact CG2-CB 4.41Å; V386-V404 HydrophobicContact CG2-CG1 3.99Å; V386-V404 PolarHBondContact N-O 3Å
405	W	95.3	Very high	86.4	Confident	13 Å²	13	59.1 Å²	59.1	5%	0.049	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.2	-179.1	-63.8	83.6	0	0	0	110.1	L347 V348 G350 L352 I383 G384 I385 F422	L347-W405 CarbonylContact C-O 3.55Å; L347-W405 VanDerWaalsContact CA-O 3.29Å; L347-W405 WeakPolarHBondContact CA-O 3.29Å; V348-W405 PolarHBondContact N-O 2.72Å; V348-W405 PolarHBondContact O-N 3.13Å; G350-W405 PolarHBondContact O-NE1 3.07Å; L352-W405 HydrophobicContact CB-CH2 4.06Å; L352-W405 HydrophobicContact CB-CZ2 3.57Å; L352-W405 HydrophobicContact CD2-CH2 3.55Å; L352-W405 HydrophobicContact CD2-CZ2 4Å; L352-W405 HydrophobicContact CD2-CZ3 3.84Å; L352-W405 HydrophobicContact CG-CH2 4.32Å; L352-W405 HydrophobicContact CG-CZ2 4.3Å; I383-W405 HydrophobicContact CD1-CB 4.47Å; I383-W405 HydrophobicContact CD1-CE3 4.22Å; I383-W405 HydrophobicContact CG1-CB 4.36Å; I383-W405 HydrophobicContact CG1-CD2 4.45Å; I383-W405 HydrophobicContact CG1-CE3 3.73Å; I383-W405 HydrophobicContact CG1-CZ3 4.46Å; G384-W405 CarbonylContact O-C 3.32Å; G384-W405 WeakPolarHBondContact O-CA 3.41Å; I385-W405 HydrophobicContact CD1-CH2 3.8Å; I385-W405 HydrophobicContact CD1-CZ2 4Å; I385-W405 HydrophobicContact CD1-CZ3 4.29Å; I385-W405 HydrophobicContact CG1-CD2 4.07Å; I385-W405 HydrophobicContact CG1-CE3 3.81Å; I385-W405 HydrophobicContact CG1-CH2 3.5Å; I385-W405 HydrophobicContact CG1-CZ2 3.76Å; I385-W405 HydrophobicContact CG1-CZ3 3.54Å; W405-F422 HydrophobicContact CB-CE1 4.01Å; W405-F422 HydrophobicContact CB-CZ 3.73Å; W405-F422 AromaticContact CD1-CE1 3.45Å; W405-F422 VanDerWaalsContact CD1-CE1 3.45Å; W405-F422 HydrophobicContact CD2-CE1 4.36Å; W405-F422 AromaticContact CG-CE1 3.66Å; W405-F422 HydrophobicContact CG-CE1 3.66Å; W405-F422 AromaticContact CG-CZ 3.88Å; W405-F422 HydrophobicContact CG-CZ 3.88Å; W405-F422 AromaticContact NE1-CE1 3.93Å
406	K	96.5	Very high	87.7	Confident	14 Å²	14	61.3 Å²	61.3	6%	0.061	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.1	170.9	-175.8	170.3	174.3	165.9	0	110.1	E86 S90 T345 L347 I383 G384 V386 F408	E86-K406 PolarHBondContact O-NZ 2.7Å; S90-K406 PolarHBondContact OG-NZ 3.33Å; T345-K406 HydrophobicContact CG2-CD 4.19Å; T345-K406 HydrophobicContact CG2-CG 3.93Å; L347-K406 HydrophobicContact CD2-CB 3.7Å; L347-K406 HydrophobicContact CD2-CD 4.35Å; L347-K406 HydrophobicContact CD2-CG 3.95Å; I383-K406 CarbonylContact C-O 3.51Å; I383-K406 WeakPolarHBondContact CA-O 3.48Å; G384-K406 PolarHBondContact N-O 2.6Å; G384-K406 PolarHBondContact O-N 3.34Å; V386-K406 HydrophobicContact CB-CB 4.39Å; V386-K406 HydrophobicContact CG1-CB 3.51Å; V386-K406 HydrophobicContact CG1-CD 3.95Å; V386-K406 HydrophobicContact CG1-CG 4.39Å; V386-K406 HydrophobicContact CG2-CB 3.91Å; K406-F408 HydrophobicContact CD-CZ 4.42Å
407	I	97.7	Very high	89.1	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.9	-178.7	-53.3	160.7	0	0	0	108.1	T345 T346 V348 I380 S382 I383 L413 L421 F422	T345-I407 WeakPolarHBondContact CA-O 3.1Å; T346-I407 PolarHBondContact N-O 2.91Å; T346-I407 PolarHBondContact O-N 3.03Å; V348-I407 HydrophobicContact CG2-CD1 3.94Å; I380-I407 HydrophobicContact CB-CG2 4.1Å; I380-I407 HydrophobicContact CG2-CG2 3.55Å; S382-I407 WeakPolarHBondContact O-CA 3.47Å; S382-I407 WeakPolarHBondContact O-CG2 3.13Å; I383-I407 HydrophobicContact CB-CG1 4.18Å; I383-I407 HydrophobicContact CD1-CD1 4.06Å; I383-I407 HydrophobicContact CD1-CG1 3.79Å; I383-I407 HydrophobicContact CG1-CG1 3.79Å; I407-L413 HydrophobicContact CB-CD1 4.33Å; I407-L413 HydrophobicContact CD1-CD1 3.97Å; I407-L413 HydrophobicContact CG2-CD1 3.82Å; I407-L421 HydrophobicContact CD1-CD1 4.06Å; I407-F422 HydrophobicContact CD1-CE2 3.78Å; I407-F422 HydrophobicContact CD1-CZ 4.12Å
408	F	97.7	Very high	90.5	Very high	36 Å²	36	54.9 Å²	54.9	16%	0.158	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.9	166.7	-71.1	-63	0	0	0	109.5	V223 I343 T345 N381 S382 K406	V223-F408 HydrophobicContact CG2-CD2 4.18Å; V223-F408 HydrophobicContact CG2-CE2 4.46Å; I343-F408 HydrophobicContact CG2-CB 4.44Å; I343-F408 HydrophobicContact CG2-CD1 3.66Å; I343-F408 HydrophobicContact CG2-CE1 4.35Å; I343-F408 HydrophobicContact CG2-CG 4.45Å; T345-F408 HydrophobicContact CG2-CE1 4.39Å; T345-F408 WeakPolarHBondContact OG1-CE1 3.1Å; N381-F408 HydrophobicContact CB-CB 4.11Å; N381-F408 WeakPolarHBondContact CB-O 3.45Å; N381-F408 PolarHBondContact N-O 2.89Å; S382-F408 PolarHBondContact N-O 3.25Å; S382-F408 PolarHBondContact O-N 3.16Å; S382-F408 VanDerWaalsContact O-N 3.12Å; S382-F408 WeakPolarHBondContact OG-CD2 3.1Å; K406-F408 HydrophobicContact CD-CZ 4.42Å
409	S	97	Very high	91.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	154.9	175.2	55.4	0	0	0	0	110.6	V344 F379 E411	V344-S409 PolarHBondContact N-O 3.16Å; V344-S409 PolarHBondContact O-N 3.37Å; V344-S409 VanDerWaalsContact O-N 3.12Å; F379-S409 WeakPolarHBondContact O-CB 3.39Å; S409-E411 VanDerWaalsContact C-N 3.31Å; S409-E411 WeakPolarHBondContact CB-O 3.47Å; S409-E411 PolarHBondContact OG-O 3.06Å
410	Q	93.9	Very high	93.1	Very high	109 Å²	109	55.7 Å²	55.7	51%	0.509	30%	0.295	S	S	.	.	S	Bend	trans	-67.3	-34.6	175.8	-175.5	170.1	11	0	0	112.3	H342	H342-Q410 PolarHBondContact ND1-O 3.49Å
411	E	94.7	Very high	94.2	Very high	122 Å²	122	51.9 Å²	51.9	57%	0.57	28%	0.275	S	S	*	.	S	Bend	trans	-122.4	165.8	-178.6	-68.2	-60.5	157.4	0	0	111.5	S409 L413	S409-E411 VanDerWaalsContact C-N 3.31Å; S409-E411 WeakPolarHBondContact CB-O 3.47Å; S409-E411 PolarHBondContact OG-O 3.06Å; E411-L413 PolarHBondContact O-N 3.45Å
412	T	96.8	Very high	95.2	Very high	53 Å²	53	49.6 Å²	49.6	33%	0.325	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-61	126.2	172.3	-75.6	0	0	0	0	110	T414 K430	T412-T414 PolarHBondContact O-N 2.82Å; T412-K430 HydrophobicContact CG2-CD 3.78Å
413	L	97.1	Very high	95.6	Very high	15 Å²	15	52.5 Å²	52.5	8%	0.079	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-65.7	129.8	174.1	-59.8	-179	0	0	0	111.3	T346 F379 I380 I407 E411 Q417 I418 L421	T346-L413 HydrophobicContact CG2-CD1 4.49Å; F379-L413 HydrophobicContact CD2-CD2 3.79Å; F379-L413 HydrophobicContact CE2-CD2 4.31Å; I380-L413 HydrophobicContact CG2-CD2 4.16Å; I407-L413 HydrophobicContact CB-CD1 4.33Å; I407-L413 HydrophobicContact CD1-CD1 3.97Å; I407-L413 HydrophobicContact CG2-CD1 3.82Å; E411-L413 PolarHBondContact O-N 3.45Å; L413-Q417 HydrophobicContact CD2-CB 4.48Å; L413-I418 HydrophobicContact CB-CD1 4.34Å; L413-I418 HydrophobicContact CB-CG1 3.95Å; L413-I418 HydrophobicContact CD1-CG1 4.39Å; L413-L421 HydrophobicContact CD1-CD1 4.43Å
414	T	96.8	Very high	95.7	Very high	74 Å²	74	51.3 Å²	51.3	45%	0.454	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-73	158.5	170.5	64.1	0	0	0	0	110.6	T412 A416 Q417 I418	T412-T414 PolarHBondContact O-N 2.82Å; T414-A416 PolarHBondContact O-N 2.96Å; T414-Q417 WeakPolarHBondContact O-CB 3.48Å; T414-Q417 PolarHBondContact O-N 2.83Å; T414-Q417 WeakPolarHBondContact OG1-CG 3.3Å; T414-Q417 PolarHBondContact OG1-N 2.91Å; T414-Q417 PolarHBondContact OG1-OE1 3.42Å; T414-I418 PolarHBondContact O-N 3.01Å
415	K	95.3	Very high	95.7	Very high	143 Å²	143	54.2 Å²	54.2	62%	0.622	28%	0.278	S	S	*	.	H	α-helix	trans	-56	-37.6	174.9	-172	175.9	-178.8	179.1	0	112.3	I418 L419	K415-I418 PolarHBondContact O-N 2.88Å; K415-L419 HydrophobicContact CG-CD1 4.09Å; K415-L419 HydrophobicContact CG-CG 4.49Å; K415-L419 WeakPolarHBondContact O-CB 3.25Å; K415-L419 WeakPolarHBondContact O-CG 3.36Å; K415-L419 PolarHBondContact O-N 2.92Å
416	A	95.9	Very high	95.5	Very high	73 Å²	73	58.3 Å²	58.3	60%	0.603	30%	0.301	S	S	*	.	H	α-helix	trans	-65.5	-39.1	177.3	0	0	0	0	0	112.4	T414 L419 K420	T414-A416 PolarHBondContact O-N 2.96Å; A416-L419 PolarHBondContact O-N 2.85Å; A416-K420 WeakPolarHBondContact O-CB 3.16Å; A416-K420 PolarHBondContact O-N 3.36Å
417	Q	96.8	Very high	95.3	Very high	51 Å²	51	62 Å²	62	24%	0.238	32%	0.315	C	S	.	.	H	α-helix	trans	-66.6	-40.6	174.8	-76.9	163.7	-44	0	0	112	F379 L413 T414 K420 L421	F379-Q417 HydrophobicContact CD1-CG 4.47Å; F379-Q417 HydrophobicContact CD2-CB 4.01Å; F379-Q417 HydrophobicContact CD2-CG 3.85Å; F379-Q417 HydrophobicContact CE2-CB 3.71Å; F379-Q417 HydrophobicContact CE2-CG 3.91Å; F379-Q417 HydrophobicContact CG-CG 4.15Å; F379-Q417 HydrophobicContact CZ-CB 4.24Å; F379-Q417 HydrophobicContact CZ-CG 4.26Å; L413-Q417 HydrophobicContact CD2-CB 4.48Å; T414-Q417 WeakPolarHBondContact O-CB 3.48Å; T414-Q417 PolarHBondContact O-N 2.83Å; T414-Q417 WeakPolarHBondContact OG1-CG 3.3Å; T414-Q417 PolarHBondContact OG1-N 2.91Å; T414-Q417 PolarHBondContact OG1-OE1 3.42Å; Q417-K420 WeakPolarHBondContact O-CB 3.39Å; Q417-K420 PolarHBondContact O-N 3.24Å; Q417-L421 PolarHBondContact O-N 3.08Å; Q417-L421 VanDerWaalsContact O-N 3.16Å
418	I	96.9	Very high	95.2	Very high	14 Å²	14	63.9 Å²	63.9	7%	0.072	33%	0.331	C	S	.	.	H	α-helix	trans	-63.3	-47.3	175	-62.4	173.1	0	0	0	110.2	V348 L413 T414 K415 K420 L421 F422 Y425 A428	V348-I418 HydrophobicContact CG1-CG2 4.49Å; L413-I418 HydrophobicContact CB-CD1 4.34Å; L413-I418 HydrophobicContact CB-CG1 3.95Å; L413-I418 HydrophobicContact CD1-CG1 4.39Å; T414-I418 PolarHBondContact O-N 3.01Å; K415-I418 PolarHBondContact O-N 2.88Å; I418-K420 PolarHBondContact O-N 2.89Å; I418-L421 PolarHBondContact O-N 3.37Å; I418-F422 HydrophobicContact CG2-CD2 3.95Å; I418-F422 WeakPolarHBondContact O-CD2 3.4Å; I418-F422 PolarHBondContact O-N 3.07Å; I418-Y425 HydrophobicContact CG2-CD1 3.81Å; I418-Y425 HydrophobicContact CG2-CE1 3.81Å; I418-Y425 HydrophobicContact CG2-CG 4.24Å; I418-A428 HydrophobicContact CD1-CB 4.47Å
419	L	95.4	Very high	95.2	Very high	91 Å²	91	63.9 Å²	63.9	48%	0.476	33%	0.333	S	S	.	.	H	α-helix	trans	-66.1	-18.2	176.6	-70.4	172.1	0	0	0	113.7	K415 A416 Y425	K415-L419 HydrophobicContact CG-CD1 4.09Å; K415-L419 HydrophobicContact CG-CG 4.49Å; K415-L419 WeakPolarHBondContact O-CB 3.25Å; K415-L419 WeakPolarHBondContact O-CG 3.36Å; K415-L419 PolarHBondContact O-N 2.92Å; A416-L419 PolarHBondContact O-N 2.85Å; L419-Y425 HydrophobicContact CD2-CD1 4.21Å; L419-Y425 HydrophobicContact CD2-CE1 3.79Å; L419-Y425 HydrophobicContact CG-CE1 4.31Å
420	K	94.9	Very high	95.2	Very high	121 Å²	121	69.3 Å²	69.3	53%	0.526	36%	0.357	S	S	.	.	H	α-helix	trans	-75.4	-36.6	169.9	-170.6	179.6	177.7	-179.4	0	111.3	I356 F379 A416 Q417 I418	I356-K420 HydrophobicContact CD1-CD 4.27Å; I356-K420 HydrophobicContact CD1-CG 3.95Å; F379-K420 HydrophobicContact CE1-CD 4.1Å; F379-K420 HydrophobicContact CZ-CD 4.26Å; A416-K420 WeakPolarHBondContact O-CB 3.16Å; A416-K420 PolarHBondContact O-N 3.36Å; Q417-K420 WeakPolarHBondContact O-CB 3.39Å; Q417-K420 PolarHBondContact O-N 3.24Å; I418-K420 PolarHBondContact O-N 2.89Å
421	L	95.5	Very high	95.3	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-81.3	-29	-179.4	-69.9	172.4	0	0	0	113.4	L352 N353 I356 F357 F379 I380 I407 L413 Q417 I418	L352-L421 WeakPolarHBondContact CD1-O 3.48Å; N353-L421 WeakPolarHBondContact CB-O 3.44Å; N353-L421 PolarHBondContact N-O 3.49Å; I356-L421 HydrophobicContact CD1-CD2 3.83Å; F357-L421 HydrophobicContact CZ-CD2 4.16Å; F379-L421 HydrophobicContact CE2-CD1 3.87Å; F379-L421 HydrophobicContact CE2-CD2 4.45Å; F379-L421 HydrophobicContact CE2-CG 4.08Å; F379-L421 HydrophobicContact CZ-CD1 4.4Å; F379-L421 HydrophobicContact CZ-CD2 4.25Å; F379-L421 HydrophobicContact CZ-CG 4.11Å; I380-L421 HydrophobicContact CD1-CD2 4.13Å; I380-L421 HydrophobicContact CG2-CD1 4.11Å; I407-L421 HydrophobicContact CD1-CD1 4.06Å; L413-L421 HydrophobicContact CD1-CD1 4.43Å; Q417-L421 PolarHBondContact O-N 3.08Å; Q417-L421 VanDerWaalsContact O-N 3.16Å; I418-L421 PolarHBondContact O-N 3.37Å
422	F	95.2	Very high	95.4	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.009	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135	-173.4	-65.9	-87.3	0	0	0	111.8	V348 E351 L352 I383 W405 I407 I418 S424	V348-F422 HydrophobicContact CB-CE1 4.27Å; V348-F422 HydrophobicContact CB-CE2 3.84Å; V348-F422 HydrophobicContact CB-CZ 3.71Å; V348-F422 HydrophobicContact CG1-CD1 4.16Å; V348-F422 HydrophobicContact CG1-CD2 3.93Å; V348-F422 HydrophobicContact CG1-CE1 4Å; V348-F422 HydrophobicContact CG1-CE2 3.76Å; V348-F422 HydrophobicContact CG1-CG 4.14Å; V348-F422 HydrophobicContact CG1-CZ 3.8Å; V348-F422 HydrophobicContact CG2-CE2 3.97Å; V348-F422 HydrophobicContact CG2-CZ 4.27Å; E351-F422 CarbonylContact O-C 3.44Å; E351-F422 VanDerWaalsContact O-CA 3.3Å; E351-F422 WeakPolarHBondContact O-CA 3.23Å; L352-F422 HydrophobicContact CD1-CE1 4.17Å; L352-F422 HydrophobicContact CD1-CZ 4.34Å; I383-F422 HydrophobicContact CD1-CE2 4.27Å; I383-F422 HydrophobicContact CD1-CZ 3.85Å; W405-F422 HydrophobicContact CB-CE1 4.01Å; W405-F422 HydrophobicContact CB-CZ 3.73Å; W405-F422 AromaticContact CD1-CE1 3.45Å; W405-F422 VanDerWaalsContact CD1-CE1 3.45Å; W405-F422 HydrophobicContact CD2-CE1 4.36Å; W405-F422 AromaticContact CG-CE1 3.66Å; W405-F422 HydrophobicContact CG-CE1 3.66Å; W405-F422 AromaticContact CG-CZ 3.88Å; W405-F422 HydrophobicContact CG-CZ 3.88Å; W405-F422 AromaticContact NE1-CE1 3.93Å; I407-F422 HydrophobicContact CD1-CE2 3.78Å; I407-F422 HydrophobicContact CD1-CZ 4.12Å; I418-F422 HydrophobicContact CG2-CD2 3.95Å; I418-F422 WeakPolarHBondContact O-CD2 3.4Å; I418-F422 PolarHBondContact O-N 3.07Å; F422-S424 VanDerWaalsContact C-N 3.31Å
423	L	93.1	Very high	95.3	Very high	85 Å²	85	63.9 Å²	63.9	45%	0.445	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	-39.5	170.6	-63.7	175.8	0	0	0	110.5	E351 N353 I362	E351-L423 HydrophobicContact CG-CD1 4.26Å; E351-L423 PolarHBondContact O-N 2.84Å; N353-L423 HydrophobicContact CB-CD2 3.81Å; N353-L423 HydrophobicContact CB-CG 3.89Å; I362-L423 HydrophobicContact CD1-CD1 3.64Å
424	S	92.5	Very high	95.2	Very high	52 Å²	52	65.5 Å²	65.5	36%	0.364	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	150.1	174.7	65	0	0	0	0	109.8	G350 E351 F422	G350-S424 CarbonylContact C-O 3.58Å; G350-S424 VanDerWaalsContact CA-O 3.28Å; G350-S424 WeakPolarHBondContact CA-O 3.34Å; E351-S424 PolarHBondContact N-O 3.11Å; F422-S424 VanDerWaalsContact C-N 3.31Å
425	Y	94.1	Very high	94.9	Very high	69 Å²	69	62.3 Å²	62.3	27%	0.271	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	141.6	171	76	-86.5	0	0	0	110.5	V348 K349 I418 L419 A428	V348-Y425 HydrophobicContact CG1-CD2 4.3Å; V348-Y425 HydrophobicContact CG1-CG 4.09Å; K349-Y425 CarbonylContact O-C 3.34Å; K349-Y425 WeakPolarHBondContact O-CA 3.48Å; K349-Y425 WeakPolarHBondContact O-CB 3.23Å; I418-Y425 HydrophobicContact CG2-CD1 3.81Å; I418-Y425 HydrophobicContact CG2-CE1 3.81Å; I418-Y425 HydrophobicContact CG2-CG 4.24Å; L419-Y425 HydrophobicContact CD2-CD1 4.21Å; L419-Y425 HydrophobicContact CD2-CE1 3.79Å; L419-Y425 HydrophobicContact CG-CE1 4.31Å; Y425-A428 HydrophobicContact CD2-CB 4.19Å; Y425-A428 HydrophobicContact CE2-CB 4.07Å
426	D	91.6	Very high	94.8	Very high	99 Å²	99	58.1 Å²	58.1	53%	0.529	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-30	-177.6	-58.8	-38.9	0	0	0	112	K349	K349-D426 PolarHBondContact O-N 3.45Å
427	Y	92.9	Very high	94.7	Very high	92 Å²	92	54.7 Å²	54.7	36%	0.361	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	140.9	-174.3	-170.3	-96.5	0	0	0	111	V80 V348 K349 V429	V80-Y427 HydrophobicContact CB-CD1 4.31Å; V80-Y427 HydrophobicContact CB-CE1 4.38Å; V80-Y427 HydrophobicContact CG1-CD1 3.78Å; V80-Y427 HydrophobicContact CG1-CE1 4.34Å; V80-Y427 HydrophobicContact CG2-CD1 4.24Å; V80-Y427 HydrophobicContact CG2-CE1 4.14Å; V348-Y427 WeakPolarHBondContact CA-O 3.42Å; K349-Y427 PolarHBondContact N-O 3.48Å; Y427-V429 HydrophobicContact CE1-CB 3.69Å; Y427-V429 HydrophobicContact CE1-CG1 3.8Å
428	A	95.6	Very high	94.6	Very high	40 Å²	40	56.7 Å²	56.7	33%	0.331	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	131.3	172.1	0	0	0	0	0	110.1	L347 V348 I418 Y425	L347-A428 CarbonylContact O-C 3.45Å; L347-A428 VanDerWaalsContact O-CA 3.27Å; L347-A428 WeakPolarHBondContact O-CA 3.38Å; V348-A428 HydrophobicContact CG2-CB 4.13Å; I418-A428 HydrophobicContact CD1-CB 4.47Å; Y425-A428 HydrophobicContact CD2-CB 4.19Å; Y425-A428 HydrophobicContact CE2-CB 4.07Å
429	V	97.1	Very high	94.5	Very high	35 Å²	35	56.1 Å²	56.1	21%	0.212	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.8	174.4	64.4	0	0	0	0	109.5	M78 V80 T346 L347 Y427	M78-V429 HydrophobicContact CB-CG1 4.21Å; M78-V429 HydrophobicContact CE-CG1 4.33Å; M78-V429 HydrophobicContact SD-CG1 4.04Å; M78-V429 HydrophobicContact SD-CG2 3.94Å; V80-V429 HydrophobicContact CG2-CG1 3.78Å; T346-V429 CarbonylContact C-O 3.59Å; T346-V429 WeakPolarHBondContact CA-O 3.35Å; L347-V429 HydrophobicContact CB-CG1 3.9Å; L347-V429 HydrophobicContact CD1-CG1 4.36Å; L347-V429 PolarHBondContact N-O 3.41Å; L347-V429 PolarHBondContact O-N 3.48Å; Y427-V429 HydrophobicContact CE1-CB 3.69Å; Y427-V429 HydrophobicContact CE1-CG1 3.8Å
430	K	97	Very high	94.3	Very high	115 Å²	115	59.3 Å²	59.3	50%	0.5	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.5	-176.7	64.9	-178.9	180	176.5	0	111.8	M78 V344 T345 T412	M78-K430 VanDerWaalsContact SD-C 3.56Å; V344-K430 HydrophobicContact CG1-CB 4.09Å; T345-K430 CarbonylContact O-C 3.49Å; T345-K430 VanDerWaalsContact O-CA 3.23Å; T345-K430 WeakPolarHBondContact O-CA 3.47Å; T412-K430 HydrophobicContact CG2-CD 3.78Å
431	K	96.8	Very high	94.3	Very high	71 Å²	71	54.7 Å²	54.7	31%	0.309	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	116.5	171.2	-173.4	76.5	175.4	-172.2	0	109.2	M78 T345 W433	M78-K431 HydrophobicContact CE-CB 4.15Å; M78-K431 HydrophobicContact CG-CB 4.35Å; M78-K431 HydrophobicContact SD-CB 3.48Å; M78-K431 WeakPolarHBondContact SD-CB 3.29Å; T345-K431 PolarHBondContact N-O 3.06Å; T345-K431 PolarHBondContact O-N 3.03Å; K431-W433 HydrophobicContact CB-CZ2 4.24Å; K431-W433 HydrophobicContact CD-CH2 4.26Å; K431-W433 HydrophobicContact CD-CZ2 4.33Å; K431-W433 HydrophobicContact CG-CD2 4.14Å; K431-W433 HydrophobicContact CG-CE3 4.45Å; K431-W433 HydrophobicContact CG-CH2 3.69Å; K431-W433 HydrophobicContact CG-CZ2 3.31Å; K431-W433 HydrophobicContact CG-CZ3 4.25Å
432	P	96.6	Very high	94.2	Very high	71 Å²	71	59.5 Å²	59.5	46%	0.461	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	146.3	172.4	32	-32.6	0	0	0	110.7	H342 V344	H342-P432 WeakPolarHBondContact NE2-CB 3.4Å; V344-P432 HydrophobicContact CG2-CB 4.37Å
433	W	95.1	Very high	93.9	Very high	27 Å²	27	60.7 Å²	60.7	10%	0.102	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.2	179.7	-58.9	117.3	0	0	0	110.7	R74 A76 A87 H342 I343 T345 K431 A435	R74-W433 HydrophobicContact CG-CE3 4.2Å; R74-W433 HydrophobicContact CG-CZ3 4.44Å; A76-W433 HydrophobicContact CB-CH2 3.63Å; A76-W433 HydrophobicContact CB-CZ2 4.16Å; A87-W433 HydrophobicContact CB-CZ2 4.11Å; A87-W433 PolarHBondContact O-NE1 3.16Å; H342-W433 VanDerWaalsContact CA-O 3.3Å; H342-W433 WeakPolarHBondContact CA-O 3.23Å; H342-W433 PolarHBondContact CD2-O 3.22Å; I343-W433 PolarHBondContact N-O 3.32Å; I343-W433 WeakPolarHBondContact O-CA 3.39Å; I343-W433 WeakPolarHBondContact O-CB 3.24Å; I343-W433 PolarHBondContact O-N 2.88Å; T345-W433 PolarHBondContact OG1-NE1 2.84Å; K431-W433 HydrophobicContact CB-CZ2 4.24Å; K431-W433 HydrophobicContact CD-CH2 4.26Å; K431-W433 HydrophobicContact CD-CZ2 4.33Å; K431-W433 HydrophobicContact CG-CD2 4.14Å; K431-W433 HydrophobicContact CG-CE3 4.45Å; K431-W433 HydrophobicContact CG-CH2 3.69Å; K431-W433 HydrophobicContact CG-CZ2 3.31Å; K431-W433 HydrophobicContact CG-CZ3 4.25Å; W433-A435 VanDerWaalsContact C-N 3.28Å; W433-A435 HydrophobicContact CB-CB 3.91Å; W433-A435 PolarHBondContact O-N 3.41Å
434	L	93.6	Very high	93.7	Very high	50 Å²	50	63.7 Å²	63.7	26%	0.262	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	84.1	150.3	-68.3	177.5	0	0	0	106.1	K320 M321 Y340	K320-L434 HydrophobicContact CB-CD1 4.12Å; M321-L434 HydrophobicContact CE-CB 4.46Å; M321-L434 HydrophobicContact CG-CD1 4.13Å; M321-L434 HydrophobicContact SD-CB 3.56Å; M321-L434 VanDerWaalsContact SD-CB 3.56Å; M321-L434 HydrophobicContact SD-CD1 3.45Å; M321-L434 WeakPolarHBondContact SD-CD1 3.41Å; M321-L434 HydrophobicContact SD-CG 4.11Å; Y340-L434 HydrophobicContact CD1-CB 4.39Å
435	A	91.8	Very high	93.6	Very high	7 Å²	7	61.6 Å²	61.6	6%	0.058	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-47.5	-159.4	0	0	0	0	0	112.2	R74 Q341 I343 W433	R74-A435 WeakPolarHBondContact CD-O 3.27Å; R74-A435 PolarHBondContact NH1-O 3.42Å; Q341-A435 PolarHBondContact O-N 3.01Å; I343-A435 HydrophobicContact CB-CB 4.08Å; I343-A435 HydrophobicContact CG1-CB 4Å; W433-A435 VanDerWaalsContact C-N 3.28Å; W433-A435 HydrophobicContact CB-CB 3.91Å; W433-A435 PolarHBondContact O-N 3.41Å
436	Y	93.1	Very high	93.5	Very high	55 Å²	55	59.2 Å²	59.2	22%	0.216	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.7	-170.7	-48.2	-62.6	0	0	0	110.1	N224 Y225 Y340 Q341	N224-Y436 WeakPolarHBondContact O-CE2 3.28Å; N224-Y436 PolarHBondContact O-OH 2.9Å; Y225-Y436 AromaticContact CD1-CD1 3.94Å; Y225-Y436 HydrophobicContact CD1-CD1 3.94Å; Y225-Y436 AromaticContact CD1-CD2 3.88Å; Y225-Y436 HydrophobicContact CD1-CD2 3.88Å; Y225-Y436 HydrophobicContact CD1-CE1 4.37Å; Y225-Y436 HydrophobicContact CD1-CE2 4.31Å; Y225-Y436 AromaticContact CD1-CG 3.65Å; Y225-Y436 HydrophobicContact CD1-CG 3.65Å; Y225-Y436 AromaticContact CE1-CD1 3.91Å; Y225-Y436 HydrophobicContact CE1-CD1 3.91Å; Y225-Y436 HydrophobicContact CE1-CE1 4.26Å; Y225-Y436 HydrophobicContact CE1-CG 4.09Å; Y225-Y436 WeakPolarHBondContact O-CD2 3.38Å; Y340-Y436 CarbonylContact C-O 3.6Å; Y340-Y436 WeakPolarHBondContact CA-O 3.31Å; Y340-Y436 WeakPolarHBondContact CB-O 3.45Å; Q341-Y436 PolarHBondContact N-O 2.81Å
437	P	93.6	Very high	93.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	145.7	161	-29.3	37.8	0	0	0	112.9	Q227 Q338 Y339 Y340 Y439 E461	Q227-P437 PolarHBondContact NE2-O 3.13Å; Q338-P437 HydrophobicContact CG-CB 3.94Å; Y339-P437 CarbonylContact O-C 3.59Å; Y339-P437 WeakPolarHBondContact O-CA 3.4Å; Y340-P437 HydrophobicContact CE1-CG 4.28Å; Y340-P437 HydrophobicContact CE2-CG 4.09Å; P437-Y439 HydrophobicContact CB-CD1 4.31Å; P437-Y439 HydrophobicContact CB-CE1 3.86Å; P437-Y439 HydrophobicContact CB-CE2 4.45Å; P437-Y439 HydrophobicContact CG-CE1 4.27Å; P437-Y439 VanDerWaalsContact O-CD2 3.26Å; P437-Y439 WeakPolarHBondContact O-CD2 3.27Å; P437-Y439 VanDerWaalsContact O-CE2 3.26Å; P437-Y439 WeakPolarHBondContact O-CE2 3.43Å; P437-Y439 PolarHBondContact O-N 2.75Å; P437-E461 HydrophobicContact CG-CB 3.83Å
438	H	93.9	Very high	93.6	Very high	93 Å²	93	53 Å²	53	43%	0.431	27%	0.274	S	S	.	.			trans	-76.3	113.3	162.8	-173.8	-70.2	0	0	0	108	Y339	Y339-H438 PolarHBondContact O-N 3.18Å
439	Y	94.6	Very high	93.7	Very high	3 Å²	3	52.5 Å²	52.5	1%	0.012	27%	0.266	C	S	.	.			trans	-87	128.9	-176.3	-60.2	-73.6	0	0	0	109.8	Y225 I231 N232 V235 P437 E443 E461 C462 S465	Y225-Y439 AromaticContact CD1-CE2 3.81Å; Y225-Y439 HydrophobicContact CD1-CE2 3.81Å; Y225-Y439 HydrophobicContact CE1-CE2 4.04Å; I231-Y439 HydrophobicContact CB-CD2 4.49Å; I231-Y439 HydrophobicContact CG2-CD2 4.17Å; N232-Y439 WeakPolarHBondContact ND2-CD1 3.49Å; V235-Y439 HydrophobicContact CB-CD2 4.49Å; V235-Y439 HydrophobicContact CB-CE2 4.47Å; V235-Y439 HydrophobicContact CG1-CD2 4.01Å; V235-Y439 HydrophobicContact CG1-CE2 3.77Å; V235-Y439 HydrophobicContact CG2-CD1 3.69Å; V235-Y439 HydrophobicContact CG2-CD2 3.99Å; V235-Y439 HydrophobicContact CG2-CE1 3.53Å; V235-Y439 HydrophobicContact CG2-CE2 3.85Å; V235-Y439 HydrophobicContact CG2-CG 3.91Å; P437-Y439 HydrophobicContact CB-CD1 4.31Å; P437-Y439 HydrophobicContact CB-CE1 3.86Å; P437-Y439 HydrophobicContact CB-CE2 4.45Å; P437-Y439 HydrophobicContact CG-CE1 4.27Å; P437-Y439 VanDerWaalsContact O-CD2 3.26Å; P437-Y439 WeakPolarHBondContact O-CD2 3.27Å; P437-Y439 VanDerWaalsContact O-CE2 3.26Å; P437-Y439 WeakPolarHBondContact O-CE2 3.43Å; P437-Y439 PolarHBondContact O-N 2.75Å; Y439-E443 WeakPolarHBondContact CA-OE1 3.5Å; Y439-E443 WeakPolarHBondContact CB-OE1 3.46Å; Y439-E461 WeakPolarHBondContact CE1-O 3.36Å; Y439-E461 PolarHBondContact OH-O 3.33Å; Y439-C462 WeakPolarHBondContact CE1-O 3.46Å; Y439-S465 PolarHBondContact OH-N 3.33Å; Y439-S465 VanDerWaalsContact OH-N 3.17Å
440	K	92.8	Very high	93.6	Very high	157 Å²	157	52.3 Å²	52.3	68%	0.683	26%	0.263	S	S	*	.			trans	-148.4	94.9	177	-171.3	176.6	-178.9	177.8	0	109.7	E443	K440-E443 PolarHBondContact N-OE1 3.18Å
441	P	93.2	Very high	93.5	Very high	25 Å²	25	48.8 Å²	48.8	16%	0.162	25%	0.249	C	C	.	.	S	Bend	trans	-53.5	145.6	173.9	-26.9	34.1	0	0	0	113.2	T198 D230 N232	T198-P441 HydrophobicContact CG2-CG 4.14Å; D230-P441 WeakPolarHBondContact O-CD 3.48Å; N232-P441 HydrophobicContact CB-CG 3.64Å
442	P	93.2	Very high	93.3	Very high	102 Å²	102	48.2 Å²	48.2	66%	0.662	25%	0.249	S	C	*	.	S	Bend	cis	-73.7	134.6	-3.5	30.7	-34.3	0	0	0	112.4	N196	N196-P442 WeakPolarHBondContact OD1-CB 3.44Å
443	E	89.3	Confident	93.3	Very high	26 Å²	26	47.7 Å²	47.7	12%	0.121	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-84.1	130.5	177.7	-61.8	-68.5	174.8	0	0	110.9	L195 N232 Y439 K440	L195-E443 HydrophobicContact CB-CB 4.37Å; L195-E443 WeakPolarHBondContact O-CG 3.01Å; L195-E443 PolarHBondContact O-N 2.95Å; N232-E443 HydrophobicContact CB-CG 4.08Å; Y439-E443 WeakPolarHBondContact CA-OE1 3.5Å; Y439-E443 WeakPolarHBondContact CB-OE1 3.46Å; K440-E443 PolarHBondContact N-OE1 3.18Å
444	K	89.1	Confident	93.4	Very high	149 Å²	149	46.4 Å²	46.4	65%	0.648	23%	0.233	S	C	*	.			trans	-107.3	108.9	166.3	-178.4	-168.3	172.3	-154.8	0	107.5	E334	E334-K444 IonicContact OE1-NZ 3.77Å; E334-K444 PolarHBondContact OE1-NZ 3.09Å; E334-K444 VanDerWaalsContact OE1-NZ 3.09Å; E334-K444 IonicContact OE2-NZ 3.15Å; E334-K444 PolarHBondContact OE2-NZ 3.35Å
445	C	91.6	Very high	93.6	Very high	8 Å²	8	44.1 Å²	44.1	5%	0.054	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-78.1	143.1	-178.8	-61.9	0	0	0	0	111.2	V179 E180 C462	V179-C445 HydrophobicContact CB-CB 3.79Å; V179-C445 HydrophobicContact CG1-CB 4.23Å; V179-C445 HydrophobicContact CG2-CB 4.15Å; E180-C445 WeakPolarHBondContact OE1-CA 3.34Å; E180-C445 VanDerWaalsContact OE1-CB 3.27Å; E180-C445 WeakPolarHBondContact OE1-CB 3.2Å; E180-C445 PolarHBondContact OE1-N 3.13Å; C445-C462 WeakPolarHBondContact CA-SG 3.44Å; C445-C462 HydrophobicContact CB-CB 3.69Å; C445-C462 WeakPolarHBondContact CB-SG 3.4Å; C445-C462 WeakPolarHBondContact SG-CB 3.44Å; C445-C462 CovalentContact SG-SG 2.05Å; C445-C462 PolarHBondContact SG-SG 2.79Å
446	P	91.4	Very high	93.9	Very high	18 Å²	18	43.9 Å²	43.9	12%	0.117	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-66.6	148.3	175.7	28.5	-35.3	0	0	0	110.7	F336 Y456 G459	F336-P446 HydrophobicContact CD1-CB 3.93Å; F336-P446 HydrophobicContact CE1-CB 3.49Å; F336-P446 VanDerWaalsContact CE1-CB 3.49Å; P446-Y456 HydrophobicContact CB-CD1 4.02Å; P446-Y456 HydrophobicContact CB-CE1 3.82Å; P446-Y456 HydrophobicContact CG-CD1 4.1Å; P446-Y456 HydrophobicContact CG-CE1 3.61Å; P446-G459 VanDerWaalsContact CG-CA 3.43Å
447	S	90.9	Very high	94.1	Very high	57 Å²	57	41.3 Å²	41.3	40%	0.399	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-60.9	138.5	175.9	-175.1	0	0	0	0	111.2	I449	S447-I449 VanDerWaalsContact C-N 3.34Å; S447-I449 WeakPolarHBondContact CB-O 3.5Å; S447-I449 PolarHBondContact OG-N 3.39Å; S447-I449 PolarHBondContact OG-O 2.84Å
448	I	96	Very high	94.1	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	-74.5	-31	171.7	-58.3	173.5	0	0	0	109.8	S177 V179 Y455 Y456 L480	S177-I448 WeakPolarHBondContact O-CB 3.33Å; V179-I448 HydrophobicContact CG2-CD1 4.2Å; V179-I448 HydrophobicContact CG2-CG1 4.18Å; I448-Y455 CarbonylContact O-C 3.5Å; I448-Y455 WeakPolarHBondContact O-CA 3.45Å; I448-Y456 PolarHBondContact O-N 2.96Å; I448-L480 HydrophobicContact CB-CD1 4.42Å; I448-L480 HydrophobicContact CG2-CD1 3.66Å
449	I	96.3	Very high	94.1	Very high	30 Å²	30	37.1 Å²	37.1	15%	0.154	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	108.8	175.2	-53.1	178.9	0	0	0	107.8	S447 H451 Y455 L480	S447-I449 VanDerWaalsContact C-N 3.34Å; S447-I449 WeakPolarHBondContact CB-O 3.5Å; S447-I449 PolarHBondContact OG-N 3.39Å; S447-I449 PolarHBondContact OG-O 2.84Å; I449-H451 WeakPolarHBondContact CG2-O 3.49Å; I449-Y455 HydrophobicContact CG1-CD1 4.06Å; I449-Y455 HydrophobicContact CG1-CE1 4.07Å; I449-Y455 HydrophobicContact CG2-CE1 4.47Å; I449-L480 HydrophobicContact CG1-CD1 4.2Å
450	L	95.6	Very high	94.2	Very high	30 Å²	30	37 Å²	37	16%	0.157	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-37.7	176.9	-58.7	-175.5	0	0	0	111.7	L317 F326 I333 F336 L454 Y456	L317-L450 HydrophobicContact CD1-CD1 3.81Å; F326-L450 HydrophobicContact CE1-CD1 4.2Å; F326-L450 HydrophobicContact CZ-CD1 3.87Å; I333-L450 HydrophobicContact CD1-CB 4.09Å; I333-L450 HydrophobicContact CG2-CD1 4.41Å; I333-L450 HydrophobicContact CG2-CD2 4.41Å; F336-L450 HydrophobicContact CZ-CD2 3.81Å; L450-L454 HydrophobicContact CB-CD2 3.98Å; L450-L454 HydrophobicContact CB-CG 3.98Å; L450-L454 HydrophobicContact CD1-CD2 4.37Å; L450-L454 HydrophobicContact CD1-CG 4.29Å; L450-L454 PolarHBondContact N-O 3.38Å; L450-Y456 HydrophobicContact CD2-CD1 4.49Å; L450-Y456 HydrophobicContact CD2-CG 4.5Å
451	H	95.5	Very high	94.3	Very high	42 Å²	42	29.6 Å²	29.6	19%	0.194	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	176.5	176.2	-169.5	-102.8	0	0	0	109.3	E279 Y293 F329 I449 R453 L454	E279-H451 IonicContact OE1-CE1 2.6Å; E279-H451 PolarHBondContact OE1-CE1 2.91Å; E279-H451 IonicContact OE2-CE1 3.7Å; Y293-H451 AromaticContact CZ-ND1 3.89Å; Y293-H451 PolarHBondContact OH-ND1 2.85Å; F329-H451 HydrophobicContact CD1-CB 4.06Å; F329-H451 AromaticContact CD1-CD2 3.9Å; F329-H451 AromaticContact CD1-CG 3.81Å; F329-H451 HydrophobicContact CE1-CB 3.79Å; F329-H451 AromaticContact CE1-CG 3.74Å; F329-H451 AromaticContact CE1-ND1 3.96Å; I449-H451 WeakPolarHBondContact CG2-O 3.49Å; H451-R453 PolarHBondContact O-N 3.02Å; H451-R453 VanDerWaalsContact O-N 3.1Å; H451-L454 HydrophobicContact CB-CB 4.05Å; H451-L454 HydrophobicContact CB-CD2 4.13Å; H451-L454 PolarHBondContact N-O 3.13Å; H451-L454 PolarHBondContact O-N 3.45Å; H451-L454 VanDerWaalsContact O-O 3.13Å
452	D	92.9	Very high	94.3	Very high	58 Å²	58	28.4 Å²	28.4	31%	0.31	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	118	178.3	-169.3	51.3	0	0	0	111	Y293 L454 R484	Y293-D452 WeakPolarHBondContact CE2-O 3.27Å; Y293-D452 PolarHBondContact OH-O 2.88Å; D452-L454 PolarHBondContact O-N 3.26Å; D452-R484 IonicContact OD1-CZ 3.23Å; D452-R484 IonicContact OD1-NE 3.9Å; D452-R484 IonicContact OD1-NH2 3.82Å; D452-R484 PolarHBondContact OD1-NH2 3.16Å
453	R	95.4	Very high	94.4	Very high	61 Å²	61	23.5 Å²	23.5	23%	0.23	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	17.4	-176.4	-44.6	164.8	-163.4	-158.7	-7.6	115	Y293 D309 I310 V311 H451 W485	Y293-R453 HydrophobicContact CE2-CB 4.22Å; D309-R453 WeakPolarHBondContact O-CB 3.32Å; D309-R453 VanDerWaalsContact O-CD 3.3Å; D309-R453 WeakPolarHBondContact O-CD 3.2Å; I310-R453 WeakPolarHBondContact CA-O 3.36Å; I310-R453 HydrophobicContact CG1-CB 4.25Å; I310-R453 WeakPolarHBondContact CG2-O 3.34Å; V311-R453 PolarHBondContact N-O 3.34Å; H451-R453 PolarHBondContact O-N 3.02Å; H451-R453 VanDerWaalsContact O-N 3.1Å; R453-W485 VanDerWaalsContact NH1-CZ3 3.28Å
454	L	97.8	Very high	94.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.1	170.4	175.5	66.3	0	0	0	109.6	Y293 V311 V313 F326 F329 I333 L450 H451 D452	Y293-L454 HydrophobicContact CE1-CB 4.33Å; Y293-L454 HydrophobicContact CE1-CD2 4.44Å; Y293-L454 HydrophobicContact CE2-CB 4.21Å; V311-L454 HydrophobicContact CB-CD1 3.57Å; V311-L454 HydrophobicContact CG1-CD1 3.59Å; V311-L454 WeakPolarHBondContact O-CA 3.31Å; V313-L454 HydrophobicContact CG2-CD1 4.21Å; F326-L454 HydrophobicContact CD1-CD2 4.08Å; F326-L454 HydrophobicContact CE1-CD1 4.42Å; F326-L454 HydrophobicContact CE1-CD2 3.83Å; F329-L454 HydrophobicContact CE1-CD2 4.01Å; F329-L454 HydrophobicContact CZ-CD2 3.9Å; I333-L454 HydrophobicContact CD1-CD2 3.61Å; L450-L454 HydrophobicContact CB-CD2 3.98Å; L450-L454 HydrophobicContact CB-CG 3.98Å; L450-L454 HydrophobicContact CD1-CD2 4.37Å; L450-L454 HydrophobicContact CD1-CG 4.29Å; L450-L454 PolarHBondContact N-O 3.38Å; H451-L454 HydrophobicContact CB-CB 4.05Å; H451-L454 HydrophobicContact CB-CD2 4.13Å; H451-L454 PolarHBondContact N-O 3.13Å; H451-L454 PolarHBondContact O-N 3.45Å; H451-L454 VanDerWaalsContact O-O 3.13Å; D452-L454 PolarHBondContact O-N 3.26Å
455	Y	98.3	Very high	95	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.1	-171.6	-53	-82.4	0	0	0	112.3	I310 V311 L312 V313 I448 I449 L480 A481 R484	I310-Y455 HydrophobicContact CG2-CD2 4.14Å; I310-Y455 HydrophobicContact CG2-CE2 3.92Å; V311-Y455 PolarHBondContact O-N 3.11Å; L312-Y455 CarbonylContact C-O 3.59Å; L312-Y455 WeakPolarHBondContact CA-O 3.42Å; L312-Y455 HydrophobicContact CD1-CD2 4.23Å; L312-Y455 HydrophobicContact CG-CD2 4.42Å; V313-Y455 PolarHBondContact N-O 2.92Å; I448-Y455 CarbonylContact O-C 3.5Å; I448-Y455 WeakPolarHBondContact O-CA 3.45Å; I449-Y455 HydrophobicContact CG1-CD1 4.06Å; I449-Y455 HydrophobicContact CG1-CE1 4.07Å; I449-Y455 HydrophobicContact CG2-CE1 4.47Å; Y455-L480 HydrophobicContact CD1-CB 4.31Å; Y455-L480 HydrophobicContact CD1-CD1 4.3Å; Y455-L480 HydrophobicContact CE1-CB 3.98Å; Y455-A481 HydrophobicContact CD2-CB 4.22Å; Y455-A481 HydrophobicContact CE2-CB 3.65Å; Y455-R484 WeakPolarHBondContact OH-CD 3.35Å
456	Y	97.6	Very high	95.2	Very high	3 Å²	3	16.9 Å²	16.9	1%	0.012	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	90.1	176.7	178.7	-135.5	0	0	0	110.8	V313 T315 L317 F336 P446 I448 L450 N458 G459	V313-Y456 HydrophobicContact CB-CD2 4Å; V313-Y456 HydrophobicContact CG1-CD2 3.93Å; V313-Y456 HydrophobicContact CG1-CE2 4.3Å; T315-Y456 WeakPolarHBondContact O-CE2 3.37Å; L317-Y456 HydrophobicContact CB-CE2 4.24Å; L317-Y456 HydrophobicContact CD1-CD1 4.21Å; L317-Y456 HydrophobicContact CD1-CD2 3.65Å; L317-Y456 HydrophobicContact CD1-CE1 4.34Å; L317-Y456 HydrophobicContact CD1-CE2 3.8Å; L317-Y456 HydrophobicContact CD1-CG 3.87Å; L317-Y456 HydrophobicContact CG-CD2 4.01Å; L317-Y456 HydrophobicContact CG-CE2 3.71Å; L317-Y456 PolarHBondContact N-OH 2.78Å; F336-Y456 HydrophobicContact CD1-CE1 4.22Å; F336-Y456 HydrophobicContact CE1-CD1 4.14Å; F336-Y456 AromaticContact CE1-CE1 3.96Å; F336-Y456 HydrophobicContact CE1-CE1 3.96Å; F336-Y456 HydrophobicContact CZ-CD1 4.39Å; F336-Y456 HydrophobicContact CZ-CE1 4.5Å; P446-Y456 HydrophobicContact CB-CD1 4.02Å; P446-Y456 HydrophobicContact CB-CE1 3.82Å; P446-Y456 HydrophobicContact CG-CD1 4.1Å; P446-Y456 HydrophobicContact CG-CE1 3.61Å; I448-Y456 PolarHBondContact O-N 2.96Å; L450-Y456 HydrophobicContact CD2-CD1 4.49Å; L450-Y456 HydrophobicContact CD2-CG 4.5Å; Y456-N458 VanDerWaalsContact C-N 3.31Å; Y456-N458 HydrophobicContact CD2-CB 4.16Å; Y456-N458 HydrophobicContact CE2-CB 3.56Å; Y456-N458 PolarHBondContact O-N 2.85Å; Y456-G459 VanDerWaalsContact CE1-CA 3.47Å
457	L	96.6	Very high	95.5	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-73	-28.1	-178.2	70.5	85	0	0	0	112.1	A49 L312 V313 A314 G459 I460 A473 A474 A477	A49-L457 HydrophobicContact CB-CD2 3.85Å; L312-L457 HydrophobicContact CD2-CD2 4.41Å; V313-L457 PolarHBondContact O-N 3.18Å; V313-L457 VanDerWaalsContact O-N 3.11Å; A314-L457 HydrophobicContact CB-CD1 3.96Å; A314-L457 HydrophobicContact CB-CD2 3.8Å; A314-L457 HydrophobicContact CB-CG 3.97Å; L457-G459 PolarHBondContact O-N 2.94Å; L457-G459 VanDerWaalsContact O-N 3.13Å; L457-I460 WeakPolarHBondContact O-CG2 3.5Å; L457-I460 PolarHBondContact O-N 3.37Å; L457-A473 HydrophobicContact CB-CB 4.27Å; L457-A473 WeakPolarHBondContact O-CB 3.34Å; L457-A474 HydrophobicContact CD2-CB 4.32Å; L457-A477 HydrophobicContact CB-CB 3.94Å
458	N	94.8	Very high	95.8	Very high	5 Å²	5	14.5 Å²	14.5	3%	0.027	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-73.2	-6.1	-176.2	-151.2	82.2	0	0	0	112.7	A314 P316 Y456 I460 E461	A314-N458 PolarHBondContact O-OD1 3.4Å; P316-N458 WeakPolarHBondContact CD-ND2 3.41Å; P316-N458 VanDerWaalsContact CG-ND2 3.33Å; P316-N458 WeakPolarHBondContact CG-ND2 3.29Å; Y456-N458 VanDerWaalsContact C-N 3.31Å; Y456-N458 HydrophobicContact CD2-CB 4.16Å; Y456-N458 HydrophobicContact CE2-CB 3.56Å; Y456-N458 PolarHBondContact O-N 2.85Å; N458-I460 PolarHBondContact O-N 3.3Å; N458-E461 VanDerWaalsContact CG-OE1 3.26Å; N458-E461 PolarHBondContact ND2-OE1 2.92Å; N458-E461 PolarHBondContact O-N 3.11Å; N458-E461 PolarHBondContact OD1-OE1 2.78Å; N458-E461 VanDerWaalsContact OD1-OE1 3.11Å
459	G	93.3	Very high	95.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-58.7	-23.2	170.2	0	0	0	0	0	114.4	P446 Y456 L457 E461 C462	P446-G459 VanDerWaalsContact CG-CA 3.43Å; Y456-G459 VanDerWaalsContact CE1-CA 3.47Å; L457-G459 PolarHBondContact O-N 2.94Å; L457-G459 VanDerWaalsContact O-N 3.13Å; G459-E461 PolarHBondContact O-N 3.47Å; G459-E461 VanDerWaalsContact O-N 3.11Å; G459-C462 WeakPolarHBondContact O-CB 3.32Å; G459-C462 PolarHBondContact O-N 2.89Å
460	I	96.3	Very high	96	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-57.4	-25	176.6	-162.5	60.5	0	0	0	113.5	V179 L457 N458 C462 A463 A464 M469 A473	V179-I460 HydrophobicContact CB-CD1 4.49Å; V179-I460 HydrophobicContact CG1-CD1 3.87Å; V179-I460 HydrophobicContact CG2-CD1 4.07Å; L457-I460 WeakPolarHBondContact O-CG2 3.5Å; L457-I460 PolarHBondContact O-N 3.37Å; N458-I460 PolarHBondContact O-N 3.3Å; I460-C462 PolarHBondContact O-N 2.83Å; I460-C462 VanDerWaalsContact O-N 3.16Å; I460-A463 WeakPolarHBondContact O-CB 3.3Å; I460-A463 PolarHBondContact O-N 3.12Å; I460-A464 PolarHBondContact O-N 2.94Å; I460-M469 HydrophobicContact CD1-CE 3.98Å; I460-M469 HydrophobicContact CG1-CB 4.36Å; I460-M469 HydrophobicContact CG1-CE 3.78Å; I460-A473 HydrophobicContact CB-CB 3.61Å; I460-A473 HydrophobicContact CG1-CB 3.97Å; I460-A473 HydrophobicContact CG2-CB 3.54Å
461	E	95.4	Very high	96.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-64.6	-20.4	-178.6	-70.7	-163.8	-130.3	0	0	113.6	R74 P437 Y439 N458 G459 A463 S465	R74-E461 IonicContact CZ-OE1 2.7Å; R74-E461 IonicContact CZ-OE2 3.09Å; R74-E461 IonicContact NH1-OE1 3.76Å; R74-E461 PolarHBondContact NH1-OE1 3.11Å; R74-E461 IonicContact NH1-OE2 2.72Å; R74-E461 PolarHBondContact NH1-OE2 3.12Å; R74-E461 IonicContact NH2-OE1 3.58Å; R74-E461 PolarHBondContact NH2-OE1 2.94Å; R74-E461 IonicContact NH2-OE2 3.79Å; P437-E461 HydrophobicContact CG-CB 3.83Å; Y439-E461 WeakPolarHBondContact CE1-O 3.36Å; Y439-E461 PolarHBondContact OH-O 3.33Å; N458-E461 VanDerWaalsContact CG-OE1 3.26Å; N458-E461 PolarHBondContact ND2-OE1 2.92Å; N458-E461 PolarHBondContact O-N 3.11Å; N458-E461 PolarHBondContact OD1-OE1 2.78Å; N458-E461 VanDerWaalsContact OD1-OE1 3.11Å; G459-E461 PolarHBondContact O-N 3.47Å; G459-E461 VanDerWaalsContact O-N 3.11Å; E461-A463 PolarHBondContact O-N 2.94Å; E461-S465 VanDerWaalsContact OE2-CB 3.3Å; E461-S465 WeakPolarHBondContact OE2-CB 3.36Å; E461-S465 PolarHBondContact OE2-OG 2.93Å
462	C	93.6	Very high	96.3	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-54.8	-38.9	167.9	165.2	0	0	0	0	112.3	Y439 C445 G459 I460	Y439-C462 WeakPolarHBondContact CE1-O 3.46Å; C445-C462 WeakPolarHBondContact CA-SG 3.44Å; C445-C462 HydrophobicContact CB-CB 3.69Å; C445-C462 WeakPolarHBondContact CB-SG 3.4Å; C445-C462 WeakPolarHBondContact SG-CB 3.44Å; C445-C462 CovalentContact SG-SG 2.05Å; C445-C462 PolarHBondContact SG-SG 2.79Å; G459-C462 WeakPolarHBondContact O-CB 3.32Å; G459-C462 PolarHBondContact O-N 2.89Å; I460-C462 PolarHBondContact O-N 2.83Å; I460-C462 VanDerWaalsContact O-N 3.16Å
463	A	95.1	Very high	96.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-50.5	178	0	0	0	0	0	111.7	V179 L183 L195 F234 V235 I460 E461 M469	V179-A463 HydrophobicContact CG1-CB 3.69Å; L183-A463 HydrophobicContact CD1-CB 3.82Å; L195-A463 HydrophobicContact CD2-CB 4.23Å; F234-A463 HydrophobicContact CD1-CB 4.34Å; F234-A463 WeakPolarHBondContact CD1-O 3.32Å; F234-A463 HydrophobicContact CE1-CB 4.5Å; V235-A463 WeakPolarHBondContact CG2-O 3.47Å; I460-A463 WeakPolarHBondContact O-CB 3.3Å; I460-A463 PolarHBondContact O-N 3.12Å; E461-A463 PolarHBondContact O-N 2.94Å; A463-M469 HydrophobicContact CB-CE 4.42Å
464	A	95.2	Very high	96.7	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.029	C	C	.	.			trans	-166.7	139.6	170.1	0	0	0	0	0	110	F234 V235 V238 I460 M469	F234-A464 HydrophobicContact CD1-CB 4.29Å; F234-A464 HydrophobicContact CE1-CB 4.38Å; V235-A464 HydrophobicContact CG2-CB 4.39Å; V238-A464 HydrophobicContact CB-CB 4.04Å; V238-A464 HydrophobicContact CG1-CB 4.08Å; V238-A464 HydrophobicContact CG2-CB 3.73Å; I460-A464 PolarHBondContact O-N 2.94Å; A464-M469 HydrophobicContact CB-CE 4.38Å; A464-M469 HydrophobicContact CB-CG 4.13Å; A464-M469 WeakPolarHBondContact O-CB 3.34Å; A464-M469 WeakPolarHBondContact O-CG 3.45Å
465	S	95.3	Very high	96.8	Very high	9 Å²	9	5 Å²	5	6%	0.063	3%	0.032	C	C	.	.			trans	-94.1	114.2	172.6	-169.7	0	0	0	0	109.6	R74 Y225 Y439 E461	R74-S465 PolarHBondContact NH1-OG 2.9Å; Y225-S465 PolarHBondContact OH-O 3.18Å; Y439-S465 PolarHBondContact OH-N 3.33Å; Y439-S465 VanDerWaalsContact OH-N 3.17Å; E461-S465 VanDerWaalsContact OE2-CB 3.3Å; E461-S465 WeakPolarHBondContact OE2-CB 3.36Å; E461-S465 PolarHBondContact OE2-OG 2.93Å
466	A	96.3	Very high	96.8	Very high	34 Å²	34	5 Å²	5	28%	0.281	3%	0.032	S	C	.	.			trans	-159.4	158.8	176.2	0	0	0	0	0	109.5	V238 E468 M469 S470	V238-A466 HydrophobicContact CG1-CB 4.36Å; A466-E468 VanDerWaalsContact C-N 3.29Å; A466-E468 PolarHBondContact O-N 3.44Å; A466-M469 HydrophobicContact CB-CB 4.34Å; A466-M469 HydrophobicContact CB-CG 3.91Å; A466-M469 PolarHBondContact O-N 2.7Å; A466-S470 PolarHBondContact O-N 2.91Å; A466-S470 VanDerWaalsContact O-N 3.1Å; A466-S470 PolarHBondContact O-OG 2.93Å
467	M	97.5	Very high	96.9	Very high	21 Å²	21	4.9 Å²	4.9	10%	0.103	3%	0.031	C	C	.	.	H	α-helix	trans	-52.8	-48	177.6	-74.2	-178.4	-91.8	0	0	112.3	L75 V91 I92 M99 N254 S470 A471	L75-M467 HydrophobicContact CD1-CG 4.09Å; L75-M467 HydrophobicContact CD1-SD 3.85Å; L75-M467 HydrophobicContact CD2-CE 4.44Å; L75-M467 HydrophobicContact CD2-CG 3.7Å; L75-M467 HydrophobicContact CD2-SD 3.57Å; L75-M467 VanDerWaalsContact CD2-SD 3.57Å; L75-M467 HydrophobicContact CG-CG 4.44Å; L75-M467 HydrophobicContact CG-SD 4.37Å; V91-M467 WeakPolarHBondContact O-CE 3.42Å; I92-M467 HydrophobicContact CD1-CE 4.45Å; I92-M467 HydrophobicContact CD1-SD 4.43Å; I92-M467 HydrophobicContact CG1-CE 3.52Å; I92-M467 HydrophobicContact CG1-SD 4.05Å; M99-M467 HydrophobicContact CE-SD 3.89Å; M99-M467 HydrophobicContact CG-CB 4.2Å; M99-M467 HydrophobicContact SD-CB 4.11Å; N254-M467 HydrophobicContact CB-SD 4.31Å; M467-S470 PolarHBondContact O-N 3.28Å; M467-A471 PolarHBondContact O-N 3.02Å
468	E	97.8	Very high	97	Very high	4 Å²	4	4.8 Å²	4.8	2%	0.019	3%	0.031	C	C	.	.	H	α-helix	trans	-67.5	-39.1	-178.3	-167.2	64.9	-165.7	0	0	112.2	N96 L97 H98 M99 Y167 A466 S470 A471 I472	N96-E468 VanDerWaalsContact CA-CD 3.44Å; N96-E468 WeakPolarHBondContact CA-OE2 3.39Å; N96-E468 HydrophobicContact CB-CB 3.99Å; N96-E468 HydrophobicContact CB-CG 3.95Å; N96-E468 VanDerWaalsContact CB-OE2 3.29Å; N96-E468 WeakPolarHBondContact CB-OE2 3.23Å; L97-E468 PolarHBondContact N-OE1 2.82Å; H98-E468 WeakPolarHBondContact CB-OE1 3.33Å; H98-E468 IonicContact CD2-OE1 3.82Å; H98-E468 PolarHBondContact CD2-OE1 3.22Å; H98-E468 IonicContact CG-OE1 2.93Å; H98-E468 PolarHBondContact N-OE1 3.29Å; M99-E468 WeakPolarHBondContact CG-OE2 3.28Å; M99-E468 PolarHBondContact N-OE2 2.83Å; M99-E468 VanDerWaalsContact N-OE2 3.13Å; Y167-E468 VanDerWaalsContact CE1-OE1 3.26Å; Y167-E468 WeakPolarHBondContact CE1-OE1 3.44Å; Y167-E468 WeakPolarHBondContact OH-CG 3.49Å; Y167-E468 PolarHBondContact OH-OE1 3.32Å; A466-E468 VanDerWaalsContact C-N 3.29Å; A466-E468 PolarHBondContact O-N 3.44Å; E468-S470 VanDerWaalsContact C-N 3.32Å; E468-S470 PolarHBondContact O-N 3.16Å; E468-A471 PolarHBondContact O-N 3.05Å; E468-A471 VanDerWaalsContact O-N 3.16Å; E468-I472 HydrophobicContact CG-CD1 4Å; E468-I472 HydrophobicContact CG-CG1 4.44Å; E468-I472 WeakPolarHBondContact O-CB 3.35Å; E468-I472 VanDerWaalsContact O-CG1 3.29Å; E468-I472 WeakPolarHBondContact O-CG1 3.17Å; E468-I472 PolarHBondContact O-N 2.89Å
469	M	97.9	Very high	97.1	Very high	5 Å²	5	4.6 Å²	4.6	3%	0.025	3%	0.03	C	C	.	.	H	α-helix	trans	-59.9	-43.5	176.3	-64.2	-61	-63.6	0	0	111.2	F163 F234 I460 A463 A464 A466 I472 A473	F163-M469 HydrophobicContact CE2-CE 4.27Å; F163-M469 HydrophobicContact CE2-SD 3.74Å; F163-M469 HydrophobicContact CZ-CE 4.44Å; F163-M469 HydrophobicContact CZ-SD 3.43Å; F163-M469 WeakPolarHBondContact CZ-SD 3.44Å; F234-M469 HydrophobicContact CE1-CE 4.25Å; I460-M469 HydrophobicContact CD1-CE 3.98Å; I460-M469 HydrophobicContact CG1-CB 4.36Å; I460-M469 HydrophobicContact CG1-CE 3.78Å; A463-M469 HydrophobicContact CB-CE 4.42Å; A464-M469 HydrophobicContact CB-CE 4.38Å; A464-M469 HydrophobicContact CB-CG 4.13Å; A464-M469 WeakPolarHBondContact O-CB 3.34Å; A464-M469 WeakPolarHBondContact O-CG 3.45Å; A466-M469 HydrophobicContact CB-CB 4.34Å; A466-M469 HydrophobicContact CB-CG 3.91Å; A466-M469 PolarHBondContact O-N 2.7Å; M469-I472 PolarHBondContact O-N 3.25Å; M469-A473 WeakPolarHBondContact O-CB 3.24Å; M469-A473 PolarHBondContact O-N 2.9Å
470	S	98.3	Very high	97.4	Very high	6 Å²	6	4.6 Å²	4.6	4%	0.042	3%	0.03	C	C	.	.	H	α-helix	trans	-65.7	-38.4	175.5	-62.5	0	0	0	0	112.6	A466 M467 E468 A473 A474	A466-S470 PolarHBondContact O-N 2.91Å; A466-S470 VanDerWaalsContact O-N 3.1Å; A466-S470 PolarHBondContact O-OG 2.93Å; M467-S470 PolarHBondContact O-N 3.28Å; E468-S470 VanDerWaalsContact C-N 3.32Å; E468-S470 PolarHBondContact O-N 3.16Å; S470-A473 PolarHBondContact O-N 3.5Å; S470-A474 VanDerWaalsContact O-CB 3.27Å; S470-A474 WeakPolarHBondContact O-CB 3.39Å; S470-A474 PolarHBondContact O-N 2.85Å
471	A	98.7	Very high	97.5	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-67.7	-40.8	176	0	0	0	0	0	112.3	H98 F102 M467 E468 A474 H475	H98-A471 HydrophobicContact CB-CB 3.72Å; F102-A471 HydrophobicContact CE2-CB 3.84Å; F102-A471 HydrophobicContact CZ-CB 4.3Å; M467-A471 PolarHBondContact O-N 3.02Å; E468-A471 PolarHBondContact O-N 3.05Å; E468-A471 VanDerWaalsContact O-N 3.16Å; A471-A474 WeakPolarHBondContact O-CB 3.27Å; A471-A474 PolarHBondContact O-N 2.73Å; A471-H475 PolarHBondContact O-N 3.32Å
472	I	98.7	Very high	97.6	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-59.6	-48.8	173.2	-73.6	167.9	0	0	0	110.2	F163 I166 Q170 L182 E468 M469 A474 H475 N476	F163-I472 HydrophobicContact CE1-CD1 3.66Å; F163-I472 HydrophobicContact CE2-CD1 4.47Å; F163-I472 HydrophobicContact CZ-CD1 3.38Å; I166-I472 HydrophobicContact CD1-CG2 4.11Å; I166-I472 HydrophobicContact CG1-CD1 4.35Å; I166-I472 HydrophobicContact CG1-CG1 4.37Å; I166-I472 HydrophobicContact CG1-CG2 3.67Å; I166-I472 HydrophobicContact CG2-CD1 3.94Å; Q170-I472 PolarHBondContact NE2-O 3.29Å; L182-I472 HydrophobicContact CD1-CG2 4.27Å; E468-I472 HydrophobicContact CG-CD1 4Å; E468-I472 HydrophobicContact CG-CG1 4.44Å; E468-I472 WeakPolarHBondContact O-CB 3.35Å; E468-I472 VanDerWaalsContact O-CG1 3.29Å; E468-I472 WeakPolarHBondContact O-CG1 3.17Å; E468-I472 PolarHBondContact O-N 2.89Å; M469-I472 PolarHBondContact O-N 3.25Å; I472-A474 VanDerWaalsContact C-N 3.29Å; I472-A474 PolarHBondContact O-N 3.45Å; I472-H475 PolarHBondContact O-N 2.82Å; I472-N476 WeakPolarHBondContact O-CB 3.29Å; I472-N476 PolarHBondContact O-N 2.8Å
473	A	98.7	Very high	97.8	Very high	3 Å²	3	6.7 Å²	6.7	3%	0.025	4%	0.038	C	C	.	.	H	α-helix	trans	-64.4	-36.1	179.4	0	0	0	0	0	112.4	L457 I460 M469 S470 N476 A477	L457-A473 HydrophobicContact CB-CB 4.27Å; L457-A473 WeakPolarHBondContact O-CB 3.34Å; I460-A473 HydrophobicContact CB-CB 3.61Å; I460-A473 HydrophobicContact CG1-CB 3.97Å; I460-A473 HydrophobicContact CG2-CB 3.54Å; M469-A473 WeakPolarHBondContact O-CB 3.24Å; M469-A473 PolarHBondContact O-N 2.9Å; S470-A473 PolarHBondContact O-N 3.5Å; A473-N476 PolarHBondContact O-N 2.72Å; A473-A477 WeakPolarHBondContact O-CB 3.25Å; A473-A477 PolarHBondContact O-N 3.12Å
474	A	98.8	Very high	97.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64.5	-44.6	175.1	0	0	0	0	0	112.6	G45 A49 L457 S470 A471 I472 A477 A478	G45-A474 WeakPolarHBondContact O-CB 3.38Å; A49-A474 HydrophobicContact CB-CB 3.95Å; L457-A474 HydrophobicContact CD2-CB 4.32Å; S470-A474 VanDerWaalsContact O-CB 3.27Å; S470-A474 WeakPolarHBondContact O-CB 3.39Å; S470-A474 PolarHBondContact O-N 2.85Å; A471-A474 WeakPolarHBondContact O-CB 3.27Å; A471-A474 PolarHBondContact O-N 2.73Å; I472-A474 VanDerWaalsContact C-N 3.29Å; I472-A474 PolarHBondContact O-N 3.45Å; A474-A477 PolarHBondContact O-N 3.14Å; A474-A478 WeakPolarHBondContact O-CB 3.46Å; A474-A478 PolarHBondContact O-N 3.42Å
475	H	98.8	Very high	97.8	Very high	13 Å²	13	12.4 Å²	12.4	6%	0.06	6%	0.06	C	C	.	.	H	α-helix	trans	-64	-43.6	174.5	-166.1	-174.1	0	0	0	111.1	Y52 H98 Q170 A471 I472 A477 A478 L479	Y52-H475 AromaticContact CD1-CD2 3.85Å; Y52-H475 HydrophobicContact CD2-CB 3.62Å; Y52-H475 AromaticContact CD2-CG 3.93Å; Y52-H475 HydrophobicContact CE2-CB 3.56Å; Y52-H475 AromaticContact CE2-CG 3.88Å; Y52-H475 HydrophobicContact CG-CB 4.25Å; Y52-H475 AromaticContact CG-CD2 3.81Å; H98-H475 AromaticContact CE1-ND1 3.52Å; Q170-H475 PolarHBondContact OE1-ND1 3.25Å; A471-H475 PolarHBondContact O-N 3.32Å; I472-H475 PolarHBondContact O-N 2.82Å; H475-A477 PolarHBondContact O-N 2.96Å; H475-A478 PolarHBondContact O-N 3.33Å; H475-L479 WeakPolarHBondContact O-CG 3.35Å; H475-L479 PolarHBondContact O-N 2.99Å
476	N	98.7	Very high	97.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.6	-45.9	175.6	-175.1	72.8	0	0	0	112.2	A175 F176 I472 A473 A478 L479 L480	A175-N476 WeakPolarHBondContact CA-OD1 3.41Å; F176-N476 PolarHBondContact N-OD1 3.32Å; F176-N476 PolarHBondContact O-ND2 3.06Å; I472-N476 WeakPolarHBondContact O-CB 3.29Å; I472-N476 PolarHBondContact O-N 2.8Å; A473-N476 PolarHBondContact O-N 2.72Å; N476-A478 PolarHBondContact O-N 3.43Å; N476-L479 PolarHBondContact O-N 2.65Å; N476-L480 WeakPolarHBondContact O-CB 3.41Å; N476-L480 WeakPolarHBondContact O-CG 3.09Å; N476-L480 PolarHBondContact O-N 2.84Å
477	A	98.6	Very high	97.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65	-37.8	177.6	0	0	0	0	0	112.3	L312 L457 A473 A474 H475 A481	L312-A477 HydrophobicContact CD2-CB 4.03Å; L457-A477 HydrophobicContact CB-CB 3.94Å; A473-A477 WeakPolarHBondContact O-CB 3.25Å; A473-A477 PolarHBondContact O-N 3.12Å; A474-A477 PolarHBondContact O-N 3.14Å; H475-A477 PolarHBondContact O-N 2.96Å; A477-A481 VanDerWaalsContact O-CB 3.29Å; A477-A481 WeakPolarHBondContact O-CB 3.44Å; A477-A481 PolarHBondContact O-N 3.4Å
478	A	98.6	Very high	97.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.5	-41.7	174.2	0	0	0	0	0	112	L53 A474 H475 N476 A481 Y482	L53-A478 HydrophobicContact CD2-CB 3.98Å; L53-A478 HydrophobicContact CG-CB 3.96Å; A474-A478 WeakPolarHBondContact O-CB 3.46Å; A474-A478 PolarHBondContact O-N 3.42Å; H475-A478 PolarHBondContact O-N 3.33Å; N476-A478 PolarHBondContact O-N 3.43Å; A478-A481 PolarHBondContact O-N 2.75Å; A478-Y482 WeakPolarHBondContact O-CB 3.02Å; A478-Y482 PolarHBondContact O-N 3.27Å
479	L	98.6	Very high	97.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.7	-46.1	175	-69.9	170.5	0	0	0	111.8	K56 Q170 D173 Y174 A175 H475 N476 A481 Y482 H483	K56-L479 HydrophobicContact CD-CD2 4.46Å; K56-L479 VanDerWaalsContact CE-CD2 3.49Å; Q170-L479 HydrophobicContact CB-CD1 4.42Å; Q170-L479 HydrophobicContact CG-CD1 4.35Å; D173-L479 HydrophobicContact CB-CD2 3.86Å; Y174-L479 WeakPolarHBondContact O-CD1 3.43Å; A175-L479 HydrophobicContact CB-CB 3.73Å; H475-L479 WeakPolarHBondContact O-CG 3.35Å; H475-L479 PolarHBondContact O-N 2.99Å; N476-L479 PolarHBondContact O-N 2.65Å; L479-A481 VanDerWaalsContact C-N 3.32Å; L479-A481 PolarHBondContact O-N 3.48Å; L479-Y482 PolarHBondContact O-N 3.4Å; L479-H483 WeakPolarHBondContact O-CB 3.33Å; L479-H483 PolarHBondContact O-CD2 3.1Å; L479-H483 VanDerWaalsContact O-CG 3.31Å; L479-H483 PolarHBondContact O-N 3.47Å
480	L	98.1	Very high	97.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-55.9	-47.5	174	-78.3	178.2	0	0	0	111.6	A175 F176 I448 I449 Y455 N476 Y482 R484 I492	A175-L480 HydrophobicContact CB-CD2 3.86Å; A175-L480 HydrophobicContact CB-CG 3.99Å; F176-L480 WeakPolarHBondContact O-CD1 3.42Å; I448-L480 HydrophobicContact CB-CD1 4.42Å; I448-L480 HydrophobicContact CG2-CD1 3.66Å; I449-L480 HydrophobicContact CG1-CD1 4.2Å; Y455-L480 HydrophobicContact CD1-CB 4.31Å; Y455-L480 HydrophobicContact CD1-CD1 4.3Å; Y455-L480 HydrophobicContact CE1-CB 3.98Å; N476-L480 WeakPolarHBondContact O-CB 3.41Å; N476-L480 WeakPolarHBondContact O-CG 3.09Å; N476-L480 PolarHBondContact O-N 2.84Å; L480-Y482 VanDerWaalsContact C-N 3.35Å; L480-Y482 PolarHBondContact O-N 2.84Å; L480-R484 VanDerWaalsContact O-CB 3.3Å; L480-R484 WeakPolarHBondContact O-CB 3.4Å; L480-R484 VanDerWaalsContact O-CG 3.31Å; L480-R484 WeakPolarHBondContact O-CG 3.42Å; L480-R484 PolarHBondContact O-N 3.33Å; L480-I492 HydrophobicContact CD2-CD1 4.08Å; L480-I492 HydrophobicContact CD2-CG1 4.2Å; L480-I492 HydrophobicContact CD2-CG2 3.79Å
481	A	98.1	Very high	97	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-59.2	-46.9	177.8	0	0	0	0	0	111.2	L53 F57 I310 Y455 A477 A478 L479 W485	L53-A481 HydrophobicContact CD2-CB 4.16Å; F57-A481 HydrophobicContact CE2-CB 4.46Å; I310-A481 HydrophobicContact CD1-CB 4.38Å; I310-A481 HydrophobicContact CG2-CB 4.33Å; Y455-A481 HydrophobicContact CD2-CB 4.22Å; Y455-A481 HydrophobicContact CE2-CB 3.65Å; A477-A481 VanDerWaalsContact O-CB 3.29Å; A477-A481 WeakPolarHBondContact O-CB 3.44Å; A477-A481 PolarHBondContact O-N 3.4Å; A478-A481 PolarHBondContact O-N 2.75Å; L479-A481 VanDerWaalsContact C-N 3.32Å; L479-A481 PolarHBondContact O-N 3.48Å; A481-W485 WeakPolarHBondContact O-CB 3.44Å; A481-W485 PolarHBondContact O-N 2.66Å
482	Y	98	Very high	96.9	Very high	41 Å²	41	25.2 Å²	25.2	16%	0.161	13%	0.134	C	C	.	.	H	α-helix	trans	-63.6	-48.7	179.2	-178.8	-99.7	0	0	0	113.1	L30 K56 F57 A478 L479 L480 W485 N486	L30-Y482 WeakPolarHBondContact CD2-OH 3.36Å; K56-Y482 HydrophobicContact CB-CD2 3.79Å; K56-Y482 HydrophobicContact CB-CE2 4.39Å; K56-Y482 HydrophobicContact CB-CG 4.14Å; K56-Y482 HydrophobicContact CD-CG 4.37Å; K56-Y482 WeakPolarHBondContact O-CE2 3.36Å; F57-Y482 HydrophobicContact CD1-CD2 4.15Å; F57-Y482 AromaticContact CE1-CD2 3.88Å; F57-Y482 HydrophobicContact CE1-CD2 3.88Å; F57-Y482 HydrophobicContact CZ-CD2 4.14Å; A478-Y482 WeakPolarHBondContact O-CB 3.02Å; A478-Y482 PolarHBondContact O-N 3.27Å; L479-Y482 PolarHBondContact O-N 3.4Å; L480-Y482 VanDerWaalsContact C-N 3.35Å; L480-Y482 PolarHBondContact O-N 2.84Å; Y482-W485 PolarHBondContact O-N 2.78Å; Y482-N486 VanDerWaalsContact CE2-ND2 3.35Å; Y482-N486 WeakPolarHBondContact CE2-ND2 3.17Å; Y482-N486 PolarHBondContact O-N 2.8Å; Y482-N486 PolarHBondContact O-ND2 2.8Å
483	H	97.7	Very high	96.8	Very high	4 Å²	4	27 Å²	27	2%	0.019	14%	0.144	C	C	.	.	H	α-helix	trans	-66.8	-45.9	-178	-70.6	-39.2	0	0	0	112.1	D173 L479 W485 N486 G487 H488 M491 I492	D173-H483 PolarHBondContact O-NE2 3.22Å; L479-H483 WeakPolarHBondContact O-CB 3.33Å; L479-H483 PolarHBondContact O-CD2 3.1Å; L479-H483 VanDerWaalsContact O-CG 3.31Å; L479-H483 PolarHBondContact O-N 3.47Å; H483-W485 VanDerWaalsContact C-N 3.31Å; H483-W485 PolarHBondContact O-N 3.29Å; H483-N486 CarbonylContact O-C 3.55Å; H483-N486 PolarHBondContact O-N 2.92Å; H483-G487 CarbonylContact O-C 3.57Å; H483-G487 WeakPolarHBondContact O-CA 3.41Å; H483-G487 PolarHBondContact O-N 3.49Å; H483-H488 HydrophobicContact CB-CB 4.13Å; H483-H488 AromaticContact ND1-ND1 3.72Å; H483-H488 PolarHBondContact O-N 2.98Å; H483-M491 WeakPolarHBondContact NE2-CB 3.29Å; H483-I492 HydrophobicContact CB-CD1 3.9Å; H483-I492 HydrophobicContact CB-CG1 4.05Å
484	R	96.3	Very high	96.6	Very high	93 Å²	93	29.8 Å²	29.8	35%	0.351	16%	0.156	S	C	.	.	H	α-helix	trans	-66.9	-34	177.3	-68.1	-177.6	61.1	102.6	3.9	112.2	D452 Y455 L480 I492	D452-R484 IonicContact OD1-CZ 3.23Å; D452-R484 IonicContact OD1-NE 3.9Å; D452-R484 IonicContact OD1-NH2 3.82Å; D452-R484 PolarHBondContact OD1-NH2 3.16Å; Y455-R484 WeakPolarHBondContact OH-CD 3.35Å; L480-R484 VanDerWaalsContact O-CB 3.3Å; L480-R484 WeakPolarHBondContact O-CB 3.4Å; L480-R484 VanDerWaalsContact O-CG 3.31Å; L480-R484 WeakPolarHBondContact O-CG 3.42Å; L480-R484 PolarHBondContact O-N 3.33Å; R484-I492 HydrophobicContact CG-CD1 3.68Å
485	W	95.3	Very high	96	Very high	26 Å²	26	36.4 Å²	36.4	10%	0.098	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-45.2	174.2	-174.1	-93.8	0	0	0	111.6	R31 A32 P34 F57 D309 I310 R453 A481 Y482 H483	R31-W485 VanDerWaalsContact CD-O 3.23Å; R31-W485 WeakPolarHBondContact CD-O 3.3Å; R31-W485 PolarHBondContact NH1-O 3.46Å; A32-W485 PolarHBondContact O-NE1 3.29Å; P34-W485 HydrophobicContact CB-CE3 4.45Å; P34-W485 HydrophobicContact CB-CH2 3.76Å; P34-W485 HydrophobicContact CB-CZ2 3.87Å; P34-W485 HydrophobicContact CB-CZ3 4.06Å; F57-W485 HydrophobicContact CE1-CB 4.14Å; F57-W485 AromaticContact CE1-CD1 3.9Å; F57-W485 AromaticContact CE1-CG 3.98Å; F57-W485 HydrophobicContact CE1-CG 3.98Å; F57-W485 HydrophobicContact CZ-CB 4.16Å; F57-W485 HydrophobicContact CZ-CG 4.37Å; D309-W485 HydrophobicContact CB-CH2 3.94Å; D309-W485 HydrophobicContact CB-CZ3 3.93Å; I310-W485 HydrophobicContact CD1-CD2 4.49Å; I310-W485 HydrophobicContact CD1-CE3 3.9Å; I310-W485 HydrophobicContact CD1-CZ3 4.38Å; I310-W485 HydrophobicContact CG1-CE3 4.13Å; I310-W485 HydrophobicContact CG1-CZ3 4.18Å; R453-W485 VanDerWaalsContact NH1-CZ3 3.28Å; A481-W485 WeakPolarHBondContact O-CB 3.44Å; A481-W485 PolarHBondContact O-N 2.66Å; Y482-W485 PolarHBondContact O-N 2.78Å; H483-W485 VanDerWaalsContact C-N 3.31Å; H483-W485 PolarHBondContact O-N 3.29Å
486	N	95.3	Very high	95.4	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-89.4	-9.3	-177.3	-66.8	-64.1	0	0	0	114.7	L30 R31 Y482 H483	L30-N486 HydrophobicContact CD2-CB 4.2Å; R31-N486 PolarHBondContact N-OD1 3.05Å; Y482-N486 VanDerWaalsContact CE2-ND2 3.35Å; Y482-N486 WeakPolarHBondContact CE2-ND2 3.17Å; Y482-N486 PolarHBondContact O-N 2.8Å; Y482-N486 PolarHBondContact O-ND2 2.8Å; H483-N486 CarbonylContact O-C 3.55Å; H483-N486 PolarHBondContact O-N 2.92Å
487	G	93.8	Very high	94.9	Very high	40 Å²	40	38.4 Å²	38.4	41%	0.412	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	17.5	-178.8	0	0	0	0	0	115.1	H483 T489	H483-G487 CarbonylContact O-C 3.57Å; H483-G487 WeakPolarHBondContact O-CA 3.41Å; H483-G487 PolarHBondContact O-N 3.49Å; G487-T489 VanDerWaalsContact C-N 3.27Å; G487-T489 PolarHBondContact O-N 2.86Å
488	H	94.5	Very high	94.3	Very high	39 Å²	39	41.8 Å²	41.8	18%	0.181	23%	0.229	C	C	.	.			trans	-82.3	63.5	178.5	-54.1	158.8	0	0	0	111.9	H483 D490 M491	H483-H488 HydrophobicContact CB-CB 4.13Å; H483-H488 AromaticContact ND1-ND1 3.72Å; H483-H488 PolarHBondContact O-N 2.98Å; H488-D490 VanDerWaalsContact C-OD1 3.28Å; H488-D490 WeakPolarHBondContact CA-OD1 3.41Å; H488-D490 PolarHBondContact O-N 3.21Å; H488-M491 HydrophobicContact CB-CG 4.25Å; H488-M491 PolarHBondContact O-N 3.41Å
489	T	91.9	Very high	93.7	Very high	103 Å²	103	47 Å²	47	63%	0.632	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-70.3	-19.6	-176	54	0	0	0	0	113.5	G487 M491 I492	G487-T489 VanDerWaalsContact C-N 3.27Å; G487-T489 PolarHBondContact O-N 2.86Å; T489-M491 PolarHBondContact O-N 3.01Å; T489-I492 PolarHBondContact O-N 2.87Å
490	D	93.9	Very high	93.1	Very high	98 Å²	98	50.9 Å²	50.9	52%	0.524	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-67.2	-13	174.1	62.4	-49.6	0	0	0	113.5	H488 Q494	H488-D490 VanDerWaalsContact C-OD1 3.28Å; H488-D490 WeakPolarHBondContact CA-OD1 3.41Å; H488-D490 PolarHBondContact O-N 3.21Å; D490-Q494 WeakPolarHBondContact O-CG 3.32Å; D490-Q494 PolarHBondContact O-NE2 3.38Å
491	M	96.2	Very high	92.5	Very high	37 Å²	37	50.9 Å²	50.9	18%	0.182	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-93.3	-1.6	174.5	-59.7	-55.9	-63.6	0	0	113.4	H172 D173 Y174 A175 H483 H488 T489	H172-M491 WeakPolarHBondContact O-CE 3.45Å; D173-M491 HydrophobicContact CB-CE 4.18Å; Y174-M491 WeakPolarHBondContact CA-O 3.29Å; Y174-M491 HydrophobicContact CD1-CE 3.85Å; Y174-M491 HydrophobicContact CE1-CE 3.8Å; Y174-M491 HydrophobicContact CE1-SD 4.17Å; Y174-M491 HydrophobicContact CG-CE 4.33Å; A175-M491 PolarHBondContact N-O 3.12Å; H483-M491 WeakPolarHBondContact NE2-CB 3.29Å; H488-M491 HydrophobicContact CB-CG 4.25Å; H488-M491 PolarHBondContact O-N 3.41Å; T489-M491 PolarHBondContact O-N 3.01Å
492	I	97	Very high	91.5	Very high	21 Å²	21	55.1 Å²	55.1	11%	0.108	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-110.4	134.4	-175.3	-54.5	175.1	0	0	0	109.9	A175 L480 H483 R484 T489 Q494	A175-I492 CarbonylContact O-C 3.55Å; A175-I492 WeakPolarHBondContact O-CA 3.41Å; L480-I492 HydrophobicContact CD2-CD1 4.08Å; L480-I492 HydrophobicContact CD2-CG1 4.2Å; L480-I492 HydrophobicContact CD2-CG2 3.79Å; H483-I492 HydrophobicContact CB-CD1 3.9Å; H483-I492 HydrophobicContact CB-CG1 4.05Å; R484-I492 HydrophobicContact CG-CD1 3.68Å; T489-I492 PolarHBondContact O-N 2.87Å; I492-Q494 VanDerWaalsContact C-N 3.26Å; I492-Q494 PolarHBondContact O-N 3.13Å
493	D	96.1	Very high	89.7	Confident	38 Å²	38	58.3 Å²	58.3	20%	0.203	31%	0.312	C	S	.	.	S	Bend	trans	52.5	39.8	174.4	-58.9	-31.6	0	0	0	114.2	A175 F176 S177 K181	A175-D493 PolarHBondContact O-N 3.04Å; F176-D493 VanDerWaalsContact CA-OD1 3.3Å; F176-D493 WeakPolarHBondContact CA-OD1 3.33Å; S177-D493 VanDerWaalsContact CB-OD2 3.3Å; S177-D493 WeakPolarHBondContact CB-OD2 3.47Å; S177-D493 PolarHBondContact N-OD1 2.91Å; S177-D493 VanDerWaalsContact OG-CG 3.28Å; S177-D493 PolarHBondContact OG-OD1 2.97Å; S177-D493 PolarHBondContact OG-OD2 3.22Å; K181-D493 HydrophobicContact CD-CB 4.03Å; K181-D493 VanDerWaalsContact CD-OD1 3.27Å; K181-D493 WeakPolarHBondContact CD-OD1 3.43Å; K181-D493 WeakPolarHBondContact CD-OD2 3.5Å; K181-D493 IonicContact NZ-OD2 2.64Å; K181-D493 PolarHBondContact NZ-OD2 3.42Å
494	Q	93.6	Very high	87.7	Confident	62 Å²	62	63.5 Å²	63.5	29%	0.29	34%	0.336	S	S	.	.			trans	-70.8	133.8	177.8	-70.1	-63.7	-61.8	0	0	111.3	Y174 D490 I492 L497	Y174-Q494 HydrophobicContact CD1-CB 4.22Å; Y174-Q494 HydrophobicContact CD1-CG 3.97Å; Y174-Q494 HydrophobicContact CE1-CB 4.22Å; Y174-Q494 HydrophobicContact CE1-CG 3.84Å; D490-Q494 WeakPolarHBondContact O-CG 3.32Å; D490-Q494 PolarHBondContact O-NE2 3.38Å; I492-Q494 VanDerWaalsContact C-N 3.26Å; I492-Q494 PolarHBondContact O-N 3.13Å; Q494-L497 HydrophobicContact CB-CD1 4.22Å; Q494-L497 HydrophobicContact CB-CD2 3.63Å; Q494-L497 HydrophobicContact CB-CG 3.87Å; Q494-L497 WeakPolarHBondContact O-CG 3.46Å
495	D	87.2	Confident	85	Confident	138 Å²	138	68.1 Å²	68.1	74%	0.738	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	154.5	174.9	-69.6	-42.5	0	0	0	111.5	L497	D495-L497 PolarHBondContact O-N 3.06Å; D495-L497 VanDerWaalsContact O-N 3.13Å
496	G	85.3	Confident	84.5	Confident	53 Å²	53	70.2 Å²	70.2	55%	0.546	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	19	172.1	0	0	0	0	0	115.1	Y498 E499 K500	G496-Y498 PolarHBondContact O-N 3.17Å; G496-Y498 VanDerWaalsContact O-N 3.12Å; G496-E499 PolarHBondContact O-N 3.47Å; G496-E499 VanDerWaalsContact O-N 3.07Å; G496-K500 PolarHBondContact O-N 2.96Å
497	L	89.3	Confident	83.9	Confident	3 Å²	3	73.4 Å²	73.4	2%	0.016	40%	0.397	C	S	.	.	H	α-helix	trans	-52.5	-36.7	-177.4	-76.3	178	0	0	0	113.9	Y169 Y174 F176 Q494 D495 L501	Y169-L497 HydrophobicContact CD1-CB 4.13Å; Y169-L497 HydrophobicContact CD1-CD1 4.36Å; Y169-L497 HydrophobicContact CD2-CD1 4.33Å; Y169-L497 HydrophobicContact CE1-CB 3.7Å; Y169-L497 HydrophobicContact CE2-CB 4.48Å; Y169-L497 HydrophobicContact CG-CD1 4.22Å; Y174-L497 HydrophobicContact CD1-CD1 4.28Å; Y174-L497 HydrophobicContact CD1-CD2 3.7Å; Y174-L497 HydrophobicContact CD2-CD1 4.25Å; Y174-L497 HydrophobicContact CD2-CD2 3.72Å; Y174-L497 HydrophobicContact CE1-CD2 3.52Å; Y174-L497 HydrophobicContact CE2-CD2 3.53Å; Y174-L497 HydrophobicContact CG-CD1 3.91Å; Y174-L497 HydrophobicContact CG-CD2 3.78Å; Y174-L497 VanDerWaalsContact CZ-CD2 3.41Å; F176-L497 HydrophobicContact CE1-CD1 4.08Å; F176-L497 HydrophobicContact CZ-CD1 3.96Å; Q494-L497 HydrophobicContact CB-CD1 4.22Å; Q494-L497 HydrophobicContact CB-CD2 3.63Å; Q494-L497 HydrophobicContact CB-CG 3.87Å; Q494-L497 WeakPolarHBondContact O-CG 3.46Å; D495-L497 PolarHBondContact O-N 3.06Å; D495-L497 VanDerWaalsContact O-N 3.13Å; L497-L501 VanDerWaalsContact O-CB 3.31Å; L497-L501 WeakPolarHBondContact O-CB 3.37Å; L497-L501 WeakPolarHBondContact O-CG 3.4Å; L497-L501 PolarHBondContact O-N 3.13Å
498	Y	84.9	Confident	83.4	Confident	71 Å²	71	75.2 Å²	75.2	28%	0.278	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-47.7	178.8	-176.9	-116.9	0	0	0	112.1	R165 Y169 G496 K502	R165-Y498 HydrophobicContact CG-CD2 4.17Å; R165-Y498 HydrophobicContact CG-CE2 4.32Å; Y169-Y498 WeakPolarHBondContact OH-CB 3.38Å; Y169-Y498 PolarHBondContact OH-N 3.04Å; G496-Y498 PolarHBondContact O-N 3.17Å; G496-Y498 VanDerWaalsContact O-N 3.12Å; Y498-K502 HydrophobicContact CD1-CD 4.46Å; Y498-K502 HydrophobicContact CE1-CD 4.11Å; Y498-K502 WeakPolarHBondContact O-CG 3.35Å; Y498-K502 PolarHBondContact O-N 3.48Å; Y498-K502 VanDerWaalsContact O-N 3.11Å; Y498-K502 WeakPolarHBondContact OH-CE 3.47Å; Y498-K502 PolarHBondContact OH-NZ 3.03Å
499	E	86.1	Confident	82.7	Confident	109 Å²	109	77.4 Å²	77.4	51%	0.509	41%	0.409	S	S	.	.	H	α-helix	trans	-72.9	-42.8	179.2	-64.1	-53.6	141.9	0	0	111.2	G496 L501 K502 T503	G496-E499 PolarHBondContact O-N 3.47Å; G496-E499 VanDerWaalsContact O-N 3.07Å; E499-L501 VanDerWaalsContact C-N 3.32Å; E499-L501 PolarHBondContact O-N 3.16Å; E499-K502 WeakPolarHBondContact O-CB 3.5Å; E499-K502 PolarHBondContact O-N 3.38Å; E499-K502 VanDerWaalsContact O-N 3.16Å; E499-K502 IonicContact OE1-NZ 2.64Å; E499-T503 PolarHBondContact O-N 3.24Å; E499-T503 PolarHBondContact O-OG1 2.94Å
500	K	85.8	Confident	82.2	Confident	82 Å²	82	75.8 Å²	75.8	36%	0.357	40%	0.395	S	S	.	.	H	α-helix	trans	-54.8	-48.8	177.3	-173.2	-178.2	179.8	-171.2	0	111.5	Y174 G496 T503 E504	Y174-K500 PolarHBondContact OH-NZ 3.27Å; G496-K500 PolarHBondContact O-N 2.96Å; K500-T503 PolarHBondContact O-N 3.07Å; K500-T503 PolarHBondContact O-OG1 3.23Å; K500-E504 WeakPolarHBondContact O-CG 3.45Å; K500-E504 PolarHBondContact O-N 2.79Å
501	L	85.6	Confident	81.4	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-74.7	-29.8	-178.6	-68.4	171.8	0	0	0	112	R168 Y169 Y174 L497 E499 T503 E504	R168-L501 HydrophobicContact CG-CD1 4.17Å; R168-L501 VanDerWaalsContact CZ-CB 3.49Å; R168-L501 VanDerWaalsContact CZ-O 3.26Å; R168-L501 PolarHBondContact NH1-O 3.22Å; R168-L501 VanDerWaalsContact NH2-C 3.32Å; R168-L501 PolarHBondContact NH2-O 2.97Å; Y169-L501 HydrophobicContact CD1-CD1 3.58Å; Y169-L501 HydrophobicContact CE1-CD1 3.89Å; Y174-L501 HydrophobicContact CD2-CD1 4.42Å; Y174-L501 HydrophobicContact CE2-CD1 4.14Å; Y174-L501 HydrophobicContact CE2-CD2 4.17Å; Y174-L501 HydrophobicContact CE2-CG 4.41Å; L497-L501 VanDerWaalsContact O-CB 3.31Å; L497-L501 WeakPolarHBondContact O-CB 3.37Å; L497-L501 WeakPolarHBondContact O-CG 3.4Å; L497-L501 PolarHBondContact O-N 3.13Å; E499-L501 VanDerWaalsContact C-N 3.32Å; E499-L501 PolarHBondContact O-N 3.16Å; L501-T503 PolarHBondContact O-N 2.9Å; L501-E504 PolarHBondContact O-N 2.94Å
502	K	78	Confident	80.3	Confident	90 Å²	90	76.9 Å²	76.9	39%	0.391	40%	0.401	S	S	.	.	H	α-helix	trans	-58.9	-36.9	171.3	-87.9	-180	172.4	174	0	113	Y498 E499	Y498-K502 HydrophobicContact CD1-CD 4.46Å; Y498-K502 HydrophobicContact CE1-CD 4.11Å; Y498-K502 WeakPolarHBondContact O-CG 3.35Å; Y498-K502 PolarHBondContact O-N 3.48Å; Y498-K502 VanDerWaalsContact O-N 3.11Å; Y498-K502 WeakPolarHBondContact OH-CE 3.47Å; Y498-K502 PolarHBondContact OH-NZ 3.03Å; E499-K502 WeakPolarHBondContact O-CB 3.5Å; E499-K502 PolarHBondContact O-N 3.38Å; E499-K502 VanDerWaalsContact O-N 3.16Å; E499-K502 IonicContact OE1-NZ 2.64Å
503	T	60.4	Low	79	Confident	107 Å²	107	81.2 Å²	81.2	66%	0.656	42%	0.424	S	S	*	.	H	α-helix	trans	-83.8	-11.9	-177	50	0	0	0	0	115.2	E499 K500 L501 L505	E499-T503 PolarHBondContact O-N 3.24Å; E499-T503 PolarHBondContact O-OG1 2.94Å; K500-T503 PolarHBondContact O-N 3.07Å; K500-T503 PolarHBondContact O-OG1 3.23Å; L501-T503 PolarHBondContact O-N 2.9Å; T503-L505 VanDerWaalsContact C-N 3.25Å
504	E	54.8	Low	77.6	Confident	113 Å²	113	84.8 Å²	84.8	53%	0.528	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	5.8	176.6	-72.5	174.7	-173	0	0	113	K500 L501	K500-E504 WeakPolarHBondContact O-CG 3.45Å; K500-E504 PolarHBondContact O-N 2.79Å; L501-E504 PolarHBondContact O-N 2.94Å
505	L	40.3	Very low	76.1	Confident	190 Å²	190	86.9 Å²	86.9	100%	0.995	46%	0.456	S	S	*	.			trans	-107.5	0	168.1	-74.5	166.2	0	0	0	109.6	R168 T503	R168-L505 VanDerWaalsContact NH2-CD1 3.32Å; T503-L505 VanDerWaalsContact C-N 3.25Å

Retrieved 505 of 505 residues in 400.4 ms (Link to these results)

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