A0A087XHK2_POEFO Loading...

GMP synthase [glutamine-hydrolyzing]

Catalyzes the conversion of xanthine monophosphate (XMP) to GMP in the presence of glutamine and ATP through an adenyl-XMP intermediate.

AlphaFold DB , UniProt , Accession A0A087XHK2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 691 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	25.6	Very low	251 Å²	251	147.5 Å²	147.5	100%	1.236	85%	0.849	S	S	*	*				0	98.1	0	-85.7	-175.7	-174.2	0	0	108.6
2	A	22.8	Very low	25.5	Very low	87 Å²	87	146.7 Å²	146.7	72%	0.719	84%	0.837	S	S	*	*			trans	178.3	122.2	159.5	0	0	0	0	0	107
3	L	24.4	Very low	25.2	Very low	163 Å²	163	144.5 Å²	144.5	85%	0.853	84%	0.837	S	S	*	*			trans	51.6	133.7	136.3	-59.9	166.4	0	0	0	117.6
4	C	23.2	Very low	25.3	Very low	115 Å²	115	142.1 Å²	142.1	78%	0.777	83%	0.826	S	S	*	*			cis	-172.9	164	31.5	-110.7	0	0	0	0	110.1
5	N	26.7	Very low	25.2	Very low	163 Å²	163	140.7 Å²	140.7	87%	0.872	83%	0.826	S	S	*	*			trans	-46.9	149.4	168.7	-64.9	-27.7	0	0	0	115
6	G	23.4	Very low	25.3	Very low	79 Å²	79	137.1 Å²	137.1	81%	0.814	82%	0.818	S	S	*	*			trans	-145.9	101.6	165.5	0	0	0	0	0	111.1
7	D	24.3	Very low	25.6	Very low	158 Å²	158	138.7 Å²	138.7	85%	0.845	82%	0.815	S	S	*	*			trans	-59.4	125.9	171.3	-70.6	-50.1	0	0	0	111.8	K9	D7-K9 PolarHBondContact O-N 3.15Å
8	S	24.8	Very low	25.9	Very low	112 Å²	112	140.4 Å²	140.4	78%	0.783	82%	0.82	S	S	*	*			trans	-90.8	95.5	165.1	59.8	0	0	0	0	109.5	L10	S8-L10 PolarHBondContact O-N 3.39Å
9	K	23.3	Very low	26.7	Very low	187 Å²	187	135.7 Å²	135.7	81%	0.813	80%	0.804	S	S	*	*			trans	-65.5	120	165.1	-79.3	179.1	173.8	-179.2	0	109	D7 D11	D7-K9 PolarHBondContact O-N 3.15Å; K9-D11 PolarHBondContact O-N 3.41Å
10	L	23.7	Very low	27.9	Very low	160 Å²	160	133.3 Å²	133.3	84%	0.838	79%	0.794	S	S	*	*			trans	-78.8	105.1	163	-96.4	126.5	0	0	0	107.9	S8 I12	S8-L10 PolarHBondContact O-N 3.39Å; L10-I12 PolarHBondContact O-N 3.15Å
11	D	20.4	Very low	29.4	Very low	148 Å²	148	127.4 Å²	127.4	79%	0.791	76%	0.76	S	S	*	*			trans	-72.5	104.1	169.9	-79.3	-31.3	0	0	0	109.5	K9 S13	K9-D11 PolarHBondContact O-N 3.41Å; D11-S13 PolarHBondContact O-N 2.67Å
12	I	23.9	Very low	30.3	Very low	137 Å²	137	123 Å²	123	70%	0.703	74%	0.736	S	S	*	*			trans	-89.5	92.1	166.1	-60.5	172.7	0	0	0	106.8	L10 T14	L10-I12 PolarHBondContact O-N 3.15Å; I12-T14 VanDerWaalsContact C-N 3.29Å; I12-T14 HydrophobicContact CG2-CG2 4.01Å; I12-T14 PolarHBondContact O-N 2.6Å
13	S	21.5	Very low	32.6	Very low	119 Å²	119	119.5 Å²	119.5	83%	0.832	71%	0.709	S	S	*	*			trans	-84	70.6	170.5	51.8	0	0	0	0	110.5	D11	D11-S13 PolarHBondContact O-N 2.67Å
14	T	26.7	Very low	35.5	Very low	111 Å²	111	111.7 Å²	111.7	68%	0.681	67%	0.668	S	S	*	*			trans	-80.9	119.6	161	41.8	0	0	0	0	108.6	I12 A16	I12-T14 VanDerWaalsContact C-N 3.29Å; I12-T14 HydrophobicContact CG2-CG2 4.01Å; I12-T14 PolarHBondContact O-N 2.6Å; T14-A16 VanDerWaalsContact C-N 3.3Å; T14-A16 PolarHBondContact O-N 3.42Å
15	S	23.7	Very low	38.6	Very low	120 Å²	120	106.2 Å²	106.2	84%	0.839	63%	0.631	S	S	*	*			trans	-54.6	88.6	169.4	40.1	0	0	0	0	111	Q17	S15-Q17 PolarHBondContact O-N 2.98Å; S15-Q17 VanDerWaalsContact O-N 3.14Å
16	A	26.9	Very low	41.5	Very low	83 Å²	83	98.5 Å²	98.5	69%	0.686	59%	0.59	S	S	*	*			trans	-64.7	109.7	171.6	0	0	0	0	0	108.9	T14 N18	T14-A16 VanDerWaalsContact C-N 3.3Å; T14-A16 PolarHBondContact O-N 3.42Å; A16-N18 PolarHBondContact O-N 3.34Å; A16-N18 VanDerWaalsContact O-N 3.13Å
17	Q	30.8	Very low	44.7	Very low	165 Å²	165	94.7 Å²	94.7	77%	0.771	55%	0.551	S	S	*	*			trans	-64.6	108.5	163.1	-75.6	-176.3	-9.9	0	0	107.8	S15 G19	S15-Q17 PolarHBondContact O-N 2.98Å; S15-Q17 VanDerWaalsContact O-N 3.14Å; Q17-G19 PolarHBondContact O-N 3.11Å
18	N	30.8	Very low	47.7	Very low	170 Å²	170	87.2 Å²	87.2	91%	0.909	51%	0.511	S	S	*	.			trans	-66.3	91.8	171	-83.5	-21.6	0	0	0	109.9	A16	A16-N18 PolarHBondContact O-N 3.34Å; A16-N18 VanDerWaalsContact O-N 3.13Å
19	G	41.2	Very low	50.4	Low	50 Å²	50	83.6 Å²	83.6	52%	0.515	48%	0.482	S	S	.	.			trans	-143.8	113	160.3	0	0	0	0	0	108.1	Q17 C21	Q17-G19 PolarHBondContact O-N 3.11Å; G19-C21 PolarHBondContact O-N 2.86Å
20	S	50.9	Low	52.7	Low	87 Å²	87	75.8 Å²	75.8	61%	0.608	45%	0.453	S	S	*	.			trans	-60.6	130.6	178.4	78.3	0	0	0	0	109.2	E22	S20-E22 PolarHBondContact O-N 3.18Å
21	C	59.8	Low	54.5	Low	11 Å²	11	71 Å²	71	7%	0.074	44%	0.443	C	S	.	.			trans	-89.5	36.9	178.2	-64.3	0	0	0	0	110.7	G19 G23 A24 R48 Q64 Y66	G19-C21 PolarHBondContact O-N 2.86Å; C21-G23 PolarHBondContact O-N 3.47Å; C21-G23 VanDerWaalsContact O-N 3.15Å; C21-A24 HydrophobicContact CB-CB 4.07Å; C21-A24 WeakPolarHBondContact O-CB 3.41Å; C21-A24 PolarHBondContact O-N 2.89Å; C21-R48 PolarHBondContact SG-NH2 2.83Å; C21-R48 VanDerWaalsContact SG-NH2 3.44Å; C21-Q64 CarbonylContact C-O 3.52Å; C21-Q64 WeakPolarHBondContact CA-O 3.35Å; C21-Q64 VanDerWaalsContact CB-O 3.26Å; C21-Q64 WeakPolarHBondContact CB-O 3.49Å; C21-Q64 PolarHBondContact N-O 3.29Å; C21-Q64 VanDerWaalsContact N-O 3.12Å; C21-Y66 HydrophobicContact CB-CD1 4.39Å; C21-Y66 HydrophobicContact CB-CE1 4.03Å
22	E	63.6	Low	56.3	Low	157 Å²	157	64.5 Å²	64.5	73%	0.734	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	117.7	179.6	-75.3	-172.8	170.7	0	0	110.2	S20	S20-E22 PolarHBondContact O-N 3.18Å
23	G	70.6	Confident	58.2	Low	14 Å²	14	65.7 Å²	65.7	14%	0.144	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-5.9	-178.8	0	0	0	0	0	115.6	C21	C21-G23 PolarHBondContact O-N 3.47Å; C21-G23 VanDerWaalsContact O-N 3.15Å
24	A	84.1	Confident	60.6	Low	0 Å²	0	62.9 Å²	62.9	0%	0	38%	0.384	C	S	.	.			trans	-80.8	160.5	179	0	0	0	0	0	113	C21 R48 Y66 R67	C21-A24 HydrophobicContact CB-CB 4.07Å; C21-A24 WeakPolarHBondContact O-CB 3.41Å; C21-A24 PolarHBondContact O-N 2.89Å; A24-R48 CarbonylContact C-O 3.55Å; A24-R48 VanDerWaalsContact CA-O 3.31Å; A24-R48 WeakPolarHBondContact CA-O 3.4Å; A24-R48 HydrophobicContact CB-CB 4.07Å; A24-R48 HydrophobicContact CB-CG 3.86Å; A24-Y66 HydrophobicContact CB-CD1 3.76Å; A24-Y66 HydrophobicContact CB-CE1 3.97Å; A24-Y66 CarbonylContact O-C 3.11Å; A24-Y66 WeakPolarHBondContact O-CA 3.37Å; A24-R67 PolarHBondContact O-N 2.67Å
25	V	88.3	Confident	63	Low	0 Å²	0	57.6 Å²	57.6	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131	175.2	178.9	0	0	0	0	109.5	V42 V47 R48 S49 E50 A68 I70 L204	V25-V42 HydrophobicContact CB-CG1 4.49Å; V25-V47 HydrophobicContact CG2-CG1 3.73Å; V25-R48 PolarHBondContact N-O 3.42Å; V25-S49 VanDerWaalsContact O-CA 3.31Å; V25-S49 WeakPolarHBondContact O-CA 3.48Å; V25-E50 PolarHBondContact O-N 2.88Å; V25-A68 HydrophobicContact CG2-CB 4.46Å; V25-I70 HydrophobicContact CG1-CD1 3.88Å; V25-I70 HydrophobicContact CG1-CG1 3.9Å; V25-L204 HydrophobicContact CG1-CD2 4.48Å; V25-L204 HydrophobicContact CG2-CD2 3.68Å
26	A	89.4	Confident	65.4	Low	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129	174.7	0	0	0	0	0	110.1	L52 L61 Y66 A68 I69 I70	A26-L52 HydrophobicContact CB-CD1 4.12Å; A26-L61 HydrophobicContact CB-CD2 3.81Å; A26-Y66 HydrophobicContact CB-CD1 4.02Å; A26-Y66 HydrophobicContact CB-CD2 3.93Å; A26-Y66 HydrophobicContact CB-CE1 4.26Å; A26-Y66 HydrophobicContact CB-CE2 4.13Å; A26-Y66 HydrophobicContact CB-CG 3.86Å; A26-A68 PolarHBondContact N-O 2.9Å; A26-I69 CarbonylContact O-C 3.5Å; A26-I69 WeakPolarHBondContact O-CA 3.34Å; A26-I70 PolarHBondContact O-N 3.36Å
27	I	90	Very high	67.9	Low	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	110.3	175.1	-58.5	168.5	0	0	0	107.6	I38 D39 E50 I51 L52 I70	I27-I38 HydrophobicContact CD1-CB 4.33Å; I27-I38 HydrophobicContact CD1-CG2 3.78Å; I27-I38 HydrophobicContact CG1-CG2 4.15Å; I27-I38 HydrophobicContact CG2-CG2 4.28Å; I27-D39 VanDerWaalsContact CD1-CA 3.45Å; I27-D39 HydrophobicContact CD1-CB 3.81Å; I27-E50 PolarHBondContact N-O 3.19Å; I27-I51 HydrophobicContact CB-CG1 4.44Å; I27-I51 CarbonylContact O-C 3.5Å; I27-I51 WeakPolarHBondContact O-CA 3.34Å; I27-L52 PolarHBondContact O-N 2.87Å; I27-I70 CarbonylContact C-O 3.53Å; I27-I70 VanDerWaalsContact CA-O 3.31Å; I27-I70 WeakPolarHBondContact CA-O 3.47Å; I27-I70 HydrophobicContact CG1-CB 4.4Å
28	L	87.5	Confident	70.5	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.5	175.3	-59.1	177	0	0	0	109	L52 P53 L54 L61 I69 I70 I71 S72 I90	L28-L52 HydrophobicContact CD2-CB 3.86Å; L28-P53 WeakPolarHBondContact CD2-O 3.28Å; L28-L54 HydrophobicContact CB-CD1 4.02Å; L28-L61 HydrophobicContact CD1-CD1 4.28Å; L28-I69 HydrophobicContact CD1-CG2 3.8Å; L28-I69 HydrophobicContact CG-CG2 4.09Å; L28-I70 PolarHBondContact N-O 2.94Å; L28-I71 HydrophobicContact CB-CG1 4.32Å; L28-I71 HydrophobicContact CD1-CG1 4.21Å; L28-I71 WeakPolarHBondContact O-CA 3.36Å; L28-S72 PolarHBondContact O-N 3.38Å; L28-I90 HydrophobicContact CD1-CD1 4.27Å
29	D	81.9	Confident	73	Confident	36 Å²	36	37.9 Å²	37.9	19%	0.193	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.7	-177.9	-166.5	-9.9	0	0	0	110.9	G31 A32 G35 I51 L52	D29-G31 PolarHBondContact O-N 2.91Å; D29-G31 PolarHBondContact OD1-N 3.48Å; D29-A32 PolarHBondContact OD1-N 3.11Å; D29-A32 VanDerWaalsContact OD2-O 3.1Å; D29-G35 WeakPolarHBondContact OD2-CA 3.15Å; D29-I51 HydrophobicContact CB-CG2 4.33Å; D29-L52 PolarHBondContact N-O 2.79Å
30	A	69.9	Low	74.9	Confident	24 Å²	24	39.6 Å²	39.6	20%	0.198	22%	0.219	C	C	.	.	S	Bend	trans	-85.8	16.9	176.1	0	0	0	0	0	113.5	L54 S72 P84 Y102	A30-L54 HydrophobicContact CB-CD1 4.24Å; A30-L54 HydrophobicContact CB-CD2 3.72Å; A30-L54 HydrophobicContact CB-CG 4.44Å; A30-S72 WeakPolarHBondContact CB-O 3.29Å; A30-S72 PolarHBondContact N-O 2.95Å; A30-P84 HydrophobicContact CB-CG 4.3Å; A30-Y102 HydrophobicContact CB-CD1 3.71Å; A30-Y102 HydrophobicContact CB-CE1 3.91Å
31	G	62.5	Low	76.6	Confident	60 Å²	60	36.6 Å²	36.6	62%	0.619	19%	0.194	S	C	*	.	S	Bend	trans	100.9	24.4	-179.8	0	0	0	0	0	113.8	D29	D29-G31 PolarHBondContact O-N 2.91Å; D29-G31 PolarHBondContact OD1-N 3.48Å
32	A	58.7	Low	77.8	Confident	11 Å²	11	36.1 Å²	36.1	9%	0.091	19%	0.191	C	C	.	.			trans	-81.6	146.1	173.1	0	0	0	0	0	111.4	D29 Y34	D29-A32 PolarHBondContact OD1-N 3.11Å; D29-A32 VanDerWaalsContact OD2-O 3.1Å; A32-Y34 HydrophobicContact CB-CD2 3.97Å; A32-Y34 PolarHBondContact O-N 3.05Å; A32-Y34 VanDerWaalsContact O-N 3.09Å
33	Q	63.5	Low	78.7	Confident	161 Å²	161	29.1 Å²	29.1	75%	0.752	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.7	163.9	-70.8	179	-14.9	0	0	112.3
34	Y	71.3	Confident	79.2	Confident	61 Å²	61	31.9 Å²	31.9	24%	0.239	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-15.4	-170	-56.2	-67	0	0	0	115.2	A32 K36 V37 I38 H187 E189 V190	A32-Y34 HydrophobicContact CB-CD2 3.97Å; A32-Y34 PolarHBondContact O-N 3.05Å; A32-Y34 VanDerWaalsContact O-N 3.09Å; Y34-K36 PolarHBondContact O-N 3.44Å; Y34-V37 WeakPolarHBondContact O-CA 3.5Å; Y34-V37 WeakPolarHBondContact O-CB 3.48Å; Y34-V37 PolarHBondContact O-N 3.41Å; Y34-I38 WeakPolarHBondContact O-CG1 3.43Å; Y34-I38 PolarHBondContact O-N 3.06Å; Y34-H187 AromaticContact CD2-CE1 3.38Å; Y34-H187 WeakPolarHBondContact CD2-CE1 3.26Å; Y34-H187 AromaticContact CD2-ND1 3.76Å; Y34-H187 AromaticContact CE2-CE1 3.52Å; Y34-H187 AromaticContact CE2-NE2 3.91Å; Y34-H187 AromaticContact CG-ND1 3.91Å; Y34-E189 WeakPolarHBondContact CB-OE1 3.36Å; Y34-V190 HydrophobicContact CD1-CG1 4.28Å; Y34-V190 HydrophobicContact CE1-CG1 4.1Å
35	G	76.6	Confident	79.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.7	-39	178.9	0	0	0	0	0	112.8	D29 D39	D29-G35 WeakPolarHBondContact OD2-CA 3.15Å; G35-D39 PolarHBondContact O-N 2.84Å
36	K	74.9	Confident	78.9	Confident	77 Å²	77	34.8 Å²	34.8	34%	0.335	19%	0.185	S	C	.	.	H	α-helix	trans	-65.8	-36.5	173.8	-67.5	-178.7	179.1	-179.8	0	112.9	Y34 R40 I371	Y34-K36 PolarHBondContact O-N 3.44Å; K36-R40 PolarHBondContact O-N 3.44Å; K36-R40 VanDerWaalsContact O-N 3.1Å; K36-I371 HydrophobicContact CD-CG2 4.48Å; K36-I371 HydrophobicContact CG-CG2 4.43Å
37	V	79.8	Confident	78.7	Confident	46 Å²	46	34.9 Å²	34.9	28%	0.279	19%	0.186	S	C	.	.	H	α-helix	trans	-71.2	-42.6	-179.8	-174.1	0	0	0	0	109.9	Y34 R40 R41 E189	Y34-V37 WeakPolarHBondContact O-CA 3.5Å; Y34-V37 WeakPolarHBondContact O-CB 3.48Å; Y34-V37 PolarHBondContact O-N 3.41Å; V37-R40 WeakPolarHBondContact O-CB 3.45Å; V37-R40 PolarHBondContact O-N 3.08Å; V37-R41 VanDerWaalsContact O-CG 3.31Å; V37-R41 WeakPolarHBondContact O-CG 3.37Å; V37-R41 PolarHBondContact O-N 3.32Å; V37-E189 HydrophobicContact CB-CG 4.13Å; V37-E189 HydrophobicContact CG1-CB 4.02Å; V37-E189 HydrophobicContact CG1-CG 3.85Å; V37-E189 WeakPolarHBondContact CG1-O 3.43Å
38	I	84.7	Confident	78.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-47	175.6	-62.4	164.4	0	0	0	110.4	I27 Y34 R40 R41 V42 I70 I100 E189	I27-I38 HydrophobicContact CD1-CB 4.33Å; I27-I38 HydrophobicContact CD1-CG2 3.78Å; I27-I38 HydrophobicContact CG1-CG2 4.15Å; I27-I38 HydrophobicContact CG2-CG2 4.28Å; Y34-I38 WeakPolarHBondContact O-CG1 3.43Å; Y34-I38 PolarHBondContact O-N 3.06Å; I38-R40 VanDerWaalsContact C-N 3.26Å; I38-R40 PolarHBondContact O-N 3.01Å; I38-R41 PolarHBondContact O-N 3.36Å; I38-R41 VanDerWaalsContact O-N 3.15Å; I38-V42 HydrophobicContact CG2-CG2 4.19Å; I38-V42 VanDerWaalsContact O-CG2 3.29Å; I38-V42 WeakPolarHBondContact O-CG2 3.45Å; I38-V42 PolarHBondContact O-N 2.8Å; I38-I70 HydrophobicContact CD1-CG2 4.41Å; I38-I70 HydrophobicContact CG2-CB 4.49Å; I38-I70 HydrophobicContact CG2-CD1 4.01Å; I38-I70 HydrophobicContact CG2-CG2 3.93Å; I38-I100 HydrophobicContact CD1-CD1 3.8Å; I38-I100 HydrophobicContact CG1-CD1 4.26Å; I38-E189 HydrophobicContact CG1-CB 3.79Å; I38-E189 HydrophobicContact CG1-CG 3.75Å
39	D	84.4	Confident	78.3	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-55.6	-43.3	176	178.5	74.5	0	0	0	111.4	I27 G35 R43 S49 I51 R367 H412	I27-D39 VanDerWaalsContact CD1-CA 3.45Å; I27-D39 HydrophobicContact CD1-CB 3.81Å; G35-D39 PolarHBondContact O-N 2.84Å; D39-R43 WeakPolarHBondContact O-CB 3.4Å; D39-R43 WeakPolarHBondContact O-CD 3.43Å; D39-R43 WeakPolarHBondContact O-CG 3.35Å; D39-R43 PolarHBondContact O-N 3.49Å; D39-R43 VanDerWaalsContact O-N 3.15Å; D39-R43 IonicContact OD1-NE 3.58Å; D39-R43 PolarHBondContact OD1-NE 2.85Å; D39-R43 IonicContact OD1-NH2 3.14Å; D39-R43 IonicContact OD2-NE 3.93Å; D39-R43 PolarHBondContact OD2-NE 2.68Å; D39-S49 PolarHBondContact O-OG 3.04Å; D39-S49 WeakPolarHBondContact OD1-CB 3.41Å; D39-S49 PolarHBondContact OD1-OG 3.24Å; D39-I51 HydrophobicContact CB-CD1 3.84Å; D39-I51 HydrophobicContact CB-CG1 4.01Å; D39-R367 IonicContact OD1-NH2 3.8Å; D39-R367 IonicContact OD2-NE 3.21Å; D39-H412 IonicContact OD2-CE1 3.06Å; D39-H412 PolarHBondContact OD2-CE1 3.47Å; D39-H412 IonicContact OD2-NE2 3.97Å; D39-H412 PolarHBondContact OD2-NE2 2.86Å
40	R	81.3	Confident	78.4	Confident	87 Å²	87	39.5 Å²	39.5	33%	0.328	20%	0.202	S	C	.	.	H	α-helix	trans	-61.3	-47.8	176.1	-172.3	-179	-177.7	-171.8	-2.1	112.2	K36 V37 I38 R43 E44 D414	K36-R40 PolarHBondContact O-N 3.44Å; K36-R40 VanDerWaalsContact O-N 3.1Å; V37-R40 WeakPolarHBondContact O-CB 3.45Å; V37-R40 PolarHBondContact O-N 3.08Å; I38-R40 VanDerWaalsContact C-N 3.26Å; I38-R40 PolarHBondContact O-N 3.01Å; R40-R43 PolarHBondContact O-N 3.24Å; R40-E44 IonicContact NE-OE1 2.82Å; R40-E44 PolarHBondContact NE-OE1 3.34Å; R40-E44 WeakPolarHBondContact O-CG 3.28Å; R40-E44 PolarHBondContact O-N 3.38Å; R40-D414 IonicContact CZ-OD2 2.74Å; R40-D414 IonicContact NE-OD2 3.7Å; R40-D414 PolarHBondContact NE-OD2 3.04Å; R40-D414 IonicContact NH2-OD2 2.96Å; R40-D414 PolarHBondContact NH2-OD2 3.11Å
41	R	85.5	Confident	79.1	Confident	24 Å²	24	40.7 Å²	40.7	9%	0.091	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-40.3	-178.6	-64.9	-67.7	173	-163.4	5.1	113.1	V37 I38 R43 E44 L45 E189 D191 M197 L200	V37-R41 VanDerWaalsContact O-CG 3.31Å; V37-R41 WeakPolarHBondContact O-CG 3.37Å; V37-R41 PolarHBondContact O-N 3.32Å; I38-R41 PolarHBondContact O-N 3.36Å; I38-R41 VanDerWaalsContact O-N 3.15Å; R41-R43 VanDerWaalsContact C-N 3.25Å; R41-R43 PolarHBondContact O-N 2.96Å; R41-E44 WeakPolarHBondContact CD-OE2 3.47Å; R41-E44 IonicContact CZ-OE2 2.75Å; R41-E44 IonicContact NE-OE2 2.74Å; R41-E44 IonicContact NH1-OE1 2.71Å; R41-E44 PolarHBondContact NH1-OE1 3.12Å; R41-E44 IonicContact NH1-OE2 3.04Å; R41-E44 PolarHBondContact NH1-OE2 3.11Å; R41-E44 PolarHBondContact O-N 3.16Å; R41-L45 PolarHBondContact O-N 3.05Å; R41-E189 HydrophobicContact CG-CB 4.18Å; R41-E189 WeakPolarHBondContact CG-O 3.44Å; R41-E189 PolarHBondContact NE-O 3.15Å; R41-D191 IonicContact CZ-OD1 2.96Å; R41-D191 IonicContact NH1-OD1 3.93Å; R41-D191 IonicContact NH2-OD1 3.71Å; R41-D191 PolarHBondContact NH2-OD1 2.92Å; R41-D191 IonicContact NH2-OD2 3.91Å; R41-D191 PolarHBondContact NH2-OD2 3Å; R41-M197 HydrophobicContact CB-SD 3.96Å; R41-M197 WeakPolarHBondContact CD-SD 3.38Å; R41-M197 HydrophobicContact CG-SD 4.19Å; R41-L200 HydrophobicContact CB-CD1 3.65Å; R41-L200 HydrophobicContact CG-CD1 4.28Å
42	V	86.1	Confident	80.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-36.5	175.8	175.8	0	0	0	0	110.7	V25 I38 L45 V47 I70 L204	V25-V42 HydrophobicContact CB-CG1 4.49Å; I38-V42 HydrophobicContact CG2-CG2 4.19Å; I38-V42 VanDerWaalsContact O-CG2 3.29Å; I38-V42 WeakPolarHBondContact O-CG2 3.45Å; I38-V42 PolarHBondContact O-N 2.8Å; V42-L45 WeakPolarHBondContact O-CB 3.38Å; V42-L45 PolarHBondContact O-N 3.37Å; V42-V47 HydrophobicContact CG1-CB 3.86Å; V42-V47 HydrophobicContact CG1-CG1 4.06Å; V42-V47 PolarHBondContact O-N 3.39Å; V42-I70 HydrophobicContact CG2-CD1 3.81Å; V42-L204 HydrophobicContact CB-CD1 4.33Å; V42-L204 HydrophobicContact CG1-CD1 3.94Å; V42-L204 HydrophobicContact CG1-CD2 4.22Å; V42-L204 HydrophobicContact CG2-CD1 4.21Å
43	R	81.4	Confident	81.3	Confident	10 Å²	10	41.3 Å²	41.3	4%	0.038	20%	0.195	C	C	.	.	H	α-helix	trans	-75.4	-35.6	177	-70.7	171.5	175	-109.7	-8.6	113.8	D39 R40 R41 L45 C46 S49 F214 D410	D39-R43 WeakPolarHBondContact O-CB 3.4Å; D39-R43 WeakPolarHBondContact O-CD 3.43Å; D39-R43 WeakPolarHBondContact O-CG 3.35Å; D39-R43 PolarHBondContact O-N 3.49Å; D39-R43 VanDerWaalsContact O-N 3.15Å; D39-R43 IonicContact OD1-NE 3.58Å; D39-R43 PolarHBondContact OD1-NE 2.85Å; D39-R43 IonicContact OD1-NH2 3.14Å; D39-R43 IonicContact OD2-NE 3.93Å; D39-R43 PolarHBondContact OD2-NE 2.68Å; R40-R43 PolarHBondContact O-N 3.24Å; R41-R43 VanDerWaalsContact C-N 3.25Å; R41-R43 PolarHBondContact O-N 2.96Å; R43-L45 PolarHBondContact O-N 3.1Å; R43-C46 WeakPolarHBondContact O-CA 3.44Å; R43-C46 PolarHBondContact O-N 3.43Å; R43-S49 WeakPolarHBondContact CG-OG 3.47Å; R43-S49 PolarHBondContact NE-OG 2.86Å; R43-S49 PolarHBondContact NH2-O 2.86Å; R43-F214 HydrophobicContact CG-CD1 4.44Å; R43-F214 HydrophobicContact CG-CE1 4Å; R43-D410 PolarHBondContact NH1-O 3.36Å
44	E	81.8	Confident	82.2	Confident	72 Å²	72	34 Å²	34	34%	0.336	16%	0.161	S	C	.	.	H	α-helix	trans	-57.7	-29.3	169.5	-75.7	173	-170.1	0	0	111.5	R40 R41 C46 M197	R40-E44 IonicContact NE-OE1 2.82Å; R40-E44 PolarHBondContact NE-OE1 3.34Å; R40-E44 WeakPolarHBondContact O-CG 3.28Å; R40-E44 PolarHBondContact O-N 3.38Å; R41-E44 WeakPolarHBondContact CD-OE2 3.47Å; R41-E44 IonicContact CZ-OE2 2.75Å; R41-E44 IonicContact NE-OE2 2.74Å; R41-E44 IonicContact NH1-OE1 2.71Å; R41-E44 PolarHBondContact NH1-OE1 3.12Å; R41-E44 IonicContact NH1-OE2 3.04Å; R41-E44 PolarHBondContact NH1-OE2 3.11Å; R41-E44 PolarHBondContact O-N 3.16Å; E44-C46 VanDerWaalsContact C-N 3.26Å; E44-C46 PolarHBondContact O-N 3.34Å; E44-M197 HydrophobicContact CB-CE 3.75Å; E44-M197 WeakPolarHBondContact OE2-CE 3.4Å
45	L	83.9	Confident	82.7	Confident	22 Å²	22	37.2 Å²	37.2	12%	0.115	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	10.9	172.7	-66.6	172.7	0	0	0	113.8	R41 V42 R43 V47 M197 L200 R201 L204 F205	R41-L45 PolarHBondContact O-N 3.05Å; V42-L45 WeakPolarHBondContact O-CB 3.38Å; V42-L45 PolarHBondContact O-N 3.37Å; R43-L45 PolarHBondContact O-N 3.1Å; L45-V47 VanDerWaalsContact C-N 3.32Å; L45-V47 PolarHBondContact O-N 3.07Å; L45-M197 HydrophobicContact CD1-CE 4.49Å; L45-M197 HydrophobicContact CD1-SD 4.49Å; L45-M197 HydrophobicContact CD2-CE 3.98Å; L45-M197 HydrophobicContact CG-CE 3.89Å; L45-M197 HydrophobicContact CG-SD 4.5Å; L45-L200 HydrophobicContact CD1-CB 3.89Å; L45-R201 HydrophobicContact CD1-CB 4.19Å; L45-R201 HydrophobicContact CD2-CB 4.14Å; L45-R201 HydrophobicContact CD2-CG 4.38Å; L45-L204 HydrophobicContact CB-CD1 4.14Å; L45-L204 HydrophobicContact CD1-CD1 3.71Å; L45-F205 HydrophobicContact CB-CE2 4.26Å; L45-F205 WeakPolarHBondContact O-CZ 3.4Å
46	C	82.5	Confident	83	Confident	40 Å²	40	38.2 Å²	38.2	27%	0.27	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	37.5	178.9	-58.6	0	0	0	0	113.9	R43 E44 S212 F214	R43-C46 WeakPolarHBondContact O-CA 3.44Å; R43-C46 PolarHBondContact O-N 3.43Å; E44-C46 VanDerWaalsContact C-N 3.26Å; E44-C46 PolarHBondContact O-N 3.34Å; C46-S212 CarbonylContact O-C 3.57Å; C46-S212 WeakPolarHBondContact O-CA 3.19Å; C46-F214 WeakPolarHBondContact O-CB 3.34Å; C46-F214 PolarHBondContact O-N 3.38Å; C46-F214 VanDerWaalsContact O-N 3.13Å
47	V	84.3	Confident	83.5	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.012	19%	0.189	C	C	.	.			trans	-115.7	139.8	172.8	-178.9	0	0	0	0	110.3	V25 V42 L45 L204 F205 C210	V25-V47 HydrophobicContact CG2-CG1 3.73Å; V42-V47 HydrophobicContact CG1-CB 3.86Å; V42-V47 HydrophobicContact CG1-CG1 4.06Å; V42-V47 PolarHBondContact O-N 3.39Å; L45-V47 VanDerWaalsContact C-N 3.32Å; L45-V47 PolarHBondContact O-N 3.07Å; V47-L204 HydrophobicContact CB-CD1 4.41Å; V47-L204 HydrophobicContact CG1-CD2 4.45Å; V47-L204 HydrophobicContact CG2-CB 4.41Å; V47-L204 HydrophobicContact CG2-CD1 4.21Å; V47-F205 HydrophobicContact CG2-CE2 4.47Å; V47-F205 HydrophobicContact CG2-CZ 4.12Å; V47-C210 HydrophobicContact CG1-CB 4Å; V47-C210 HydrophobicContact CG2-CB 3.96Å
48	R	83.5	Confident	83.8	Confident	90 Å²	90	35.7 Å²	35.7	34%	0.34	18%	0.177	S	C	.	.			trans	-71.5	129.7	177.3	-178	174.6	170.3	-179.3	-2.1	109.9	C21 A24 V25 E50 F214	C21-R48 PolarHBondContact SG-NH2 2.83Å; C21-R48 VanDerWaalsContact SG-NH2 3.44Å; A24-R48 CarbonylContact C-O 3.55Å; A24-R48 VanDerWaalsContact CA-O 3.31Å; A24-R48 WeakPolarHBondContact CA-O 3.4Å; A24-R48 HydrophobicContact CB-CB 4.07Å; A24-R48 HydrophobicContact CB-CG 3.86Å; V25-R48 PolarHBondContact N-O 3.42Å; R48-E50 IonicContact CZ-OE1 2.64Å; R48-E50 IonicContact NE-OE1 3.98Å; R48-E50 PolarHBondContact NE-OE1 3.01Å; R48-E50 IonicContact NH2-OE1 2.7Å; R48-E50 PolarHBondContact NH2-OE1 2.84Å; R48-F214 HydrophobicContact CB-CB 4.48Å; R48-F214 HydrophobicContact CB-CD2 3.55Å; R48-F214 HydrophobicContact CB-CE2 3.76Å; R48-F214 HydrophobicContact CB-CG 3.98Å; R48-F214 HydrophobicContact CB-CZ 4.36Å; R48-F214 HydrophobicContact CG-CD2 4.04Å; R48-F214 HydrophobicContact CG-CE2 3.72Å; R48-F214 HydrophobicContact CG-CZ 4.23Å
49	S	86.4	Confident	83.9	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.5	176.7	54.2	0	0	0	0	113.1	V25 D39 R43 R367	V25-S49 VanDerWaalsContact O-CA 3.31Å; V25-S49 WeakPolarHBondContact O-CA 3.48Å; D39-S49 PolarHBondContact O-OG 3.04Å; D39-S49 WeakPolarHBondContact OD1-CB 3.41Å; D39-S49 PolarHBondContact OD1-OG 3.24Å; R43-S49 WeakPolarHBondContact CG-OG 3.47Å; R43-S49 PolarHBondContact NE-OG 2.86Å; R43-S49 PolarHBondContact NH2-O 2.86Å; S49-R367 PolarHBondContact O-NH2 2.96Å
50	E	84	Confident	83.9	Confident	43 Å²	43	43 Å²	43	20%	0.201	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.2	176.4	-69.5	-179.3	-177.9	0	0	110.5	V25 I27 R48 Y66	V25-E50 PolarHBondContact O-N 2.88Å; I27-E50 PolarHBondContact N-O 3.19Å; R48-E50 IonicContact CZ-OE1 2.64Å; R48-E50 IonicContact NE-OE1 3.98Å; R48-E50 PolarHBondContact NE-OE1 3.01Å; R48-E50 IonicContact NH2-OE1 2.7Å; R48-E50 PolarHBondContact NH2-OE1 2.84Å; E50-Y66 HydrophobicContact CB-CE1 4.36Å; E50-Y66 PolarHBondContact OE2-OH 2.91Å
51	I	83.9	Confident	84	Confident	48 Å²	48	38.9 Å²	38.9	25%	0.246	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.4	178	-57.6	169.3	0	0	0	107.4	I27 D29 D39 I371	I27-I51 HydrophobicContact CB-CG1 4.44Å; I27-I51 CarbonylContact O-C 3.5Å; I27-I51 WeakPolarHBondContact O-CA 3.34Å; D29-I51 HydrophobicContact CB-CG2 4.33Å; D39-I51 HydrophobicContact CB-CD1 3.84Å; D39-I51 HydrophobicContact CB-CG1 4.01Å; I51-I371 HydrophobicContact CD1-CD1 4.01Å
52	L	84.6	Confident	83.9	Confident	33 Å²	33	45.7 Å²	45.7	17%	0.173	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	151.2	-177.5	-65.3	174	0	0	0	110.4	A26 I27 L28 D29 T56 L61 Y66	A26-L52 HydrophobicContact CB-CD1 4.12Å; I27-L52 PolarHBondContact O-N 2.87Å; L28-L52 HydrophobicContact CD2-CB 3.86Å; D29-L52 PolarHBondContact N-O 2.79Å; L52-T56 HydrophobicContact CD1-CG2 4.39Å; L52-L61 HydrophobicContact CD1-CD2 3.57Å; L52-Y66 HydrophobicContact CD1-CE2 3.95Å
53	P	83.3	Confident	83.8	Confident	52 Å²	52	52.3 Å²	52.3	34%	0.338	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	145.4	172.4	-19.7	31.5	0	0	0	111.5	L28 E55 T56 A378	L28-P53 WeakPolarHBondContact CD2-O 3.28Å; P53-E55 PolarHBondContact O-N 3.48Å; P53-E55 VanDerWaalsContact O-N 3.14Å; P53-T56 VanDerWaalsContact O-CB 3.31Å; P53-T56 WeakPolarHBondContact O-CB 3.4Å; P53-T56 PolarHBondContact O-N 2.85Å; P53-T56 VanDerWaalsContact O-N 3.09Å; P53-T56 PolarHBondContact O-OG1 2.9Å; P53-A378 HydrophobicContact CG-CB 4.32Å
54	L	81.9	Confident	83.7	Confident	8 Å²	8	55.8 Å²	55.8	4%	0.042	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29	177.8	-166.2	70.1	0	0	0	113.7	L28 A30 T56 I71 P84 F86 M106	L28-L54 HydrophobicContact CB-CD1 4.02Å; A30-L54 HydrophobicContact CB-CD1 4.24Å; A30-L54 HydrophobicContact CB-CD2 3.72Å; A30-L54 HydrophobicContact CB-CG 4.44Å; L54-T56 PolarHBondContact O-N 3.16Å; L54-I71 HydrophobicContact CD1-CG2 4.02Å; L54-P84 HydrophobicContact CD2-CB 3.86Å; L54-P84 HydrophobicContact CD2-CG 3.7Å; L54-F86 HydrophobicContact CD2-CB 4.14Å; L54-F86 HydrophobicContact CG-CB 3.95Å; L54-M106 HydrophobicContact CD1-CE 3.98Å; L54-M106 HydrophobicContact CD1-SD 4.38Å; L54-M106 HydrophobicContact CD2-CE 3.96Å; L54-M106 HydrophobicContact CG-CE 4.29Å
55	E	82.3	Confident	83.7	Confident	128 Å²	128	53.6 Å²	53.6	60%	0.598	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-1.8	-179	-63.2	178.6	-174.2	0	0	113.7	P53 Y85	P53-E55 PolarHBondContact O-N 3.48Å; P53-E55 VanDerWaalsContact O-N 3.14Å; E55-Y85 WeakPolarHBondContact CG-O 3.37Å
56	T	82.9	Confident	83.9	Confident	20 Å²	20	52.8 Å²	52.8	12%	0.123	26%	0.263	C	S	.	.			trans	-62.4	125.3	-176.2	-59.8	0	0	0	0	110.3	L52 P53 L54 A60 L61	L52-T56 HydrophobicContact CD1-CG2 4.39Å; P53-T56 VanDerWaalsContact O-CB 3.31Å; P53-T56 WeakPolarHBondContact O-CB 3.4Å; P53-T56 PolarHBondContact O-N 2.85Å; P53-T56 VanDerWaalsContact O-N 3.09Å; P53-T56 PolarHBondContact O-OG1 2.9Å; L54-T56 PolarHBondContact O-N 3.16Å; T56-A60 HydrophobicContact CG2-CB 4.33Å; T56-L61 HydrophobicContact CG2-CD2 4.06Å; T56-L61 HydrophobicContact CG2-CG 4.12Å
57	P	85.7	Confident	84.2	Confident	69 Å²	69	55.7 Å²	55.7	45%	0.448	27%	0.268	S	S	.	.			trans	-68.9	145	-175.4	27.4	-34.1	0	0	0	111.4	F59 A60 L61	P57-F59 PolarHBondContact O-N 2.94Å; P57-F59 VanDerWaalsContact O-N 3.11Å; P57-A60 HydrophobicContact CG-CB 3.94Å; P57-A60 PolarHBondContact O-N 2.79Å; P57-L61 PolarHBondContact O-N 2.87Å
58	A	85.6	Confident	84.5	Confident	2 Å²	2	55.6 Å²	55.6	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-26.8	-177.6	0	0	0	0	0	112.8	L61 R62 D87 A89 I90 I93	A58-L61 PolarHBondContact O-N 3.17Å; A58-R62 PolarHBondContact O-N 3.43Å; A58-R62 VanDerWaalsContact O-N 3.13Å; A58-D87 VanDerWaalsContact CB-OD2 3.32Å; A58-D87 WeakPolarHBondContact CB-OD2 3.48Å; A58-D87 PolarHBondContact N-OD2 3.24Å; A58-A89 HydrophobicContact CB-CB 3.67Å; A58-I90 HydrophobicContact CB-CG2 3.91Å; A58-I93 HydrophobicContact CB-CG2 3.79Å
59	F	86.1	Confident	84.9	Confident	131 Å²	131	51.3 Å²	51.3	58%	0.575	25%	0.251	S	S	*	.	H	α-helix	trans	-64.3	-44.6	175	-176.8	-102.3	0	0	0	112.5	P57 L61 R62 E63	P57-F59 PolarHBondContact O-N 2.94Å; P57-F59 VanDerWaalsContact O-N 3.11Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 3.11Å; F59-R62 WeakPolarHBondContact O-CA 3.42Å; F59-R62 WeakPolarHBondContact O-CB 3.15Å; F59-R62 PolarHBondContact O-N 2.86Å; F59-E63 HydrophobicContact CD1-CG 4.18Å; F59-E63 HydrophobicContact CE1-CG 3.71Å; F59-E63 WeakPolarHBondContact CE1-OE1 3.3Å; F59-E63 WeakPolarHBondContact CE1-OE2 3.49Å; F59-E63 HydrophobicContact CE2-CG 4.26Å; F59-E63 HydrophobicContact CZ-CG 3.75Å; F59-E63 WeakPolarHBondContact CZ-OE1 3.47Å; F59-E63 PolarHBondContact O-N 2.97Å
60	A	85.1	Confident	85.2	Confident	23 Å²	23	51.3 Å²	51.3	19%	0.19	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-40.7	177.6	0	0	0	0	0	111.3	T56 P57 R62 E63 Q64	T56-A60 HydrophobicContact CG2-CB 4.33Å; P57-A60 HydrophobicContact CG-CB 3.94Å; P57-A60 PolarHBondContact O-N 2.79Å; A60-R62 PolarHBondContact O-N 3.38Å; A60-E63 PolarHBondContact O-N 2.99Å; A60-Q64 WeakPolarHBondContact O-CB 3.31Å; A60-Q64 WeakPolarHBondContact O-CG 3.27Å; A60-Q64 PolarHBondContact O-N 3.28Å
61	L	82.8	Confident	85.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-27.8	175	-63.1	175.1	0	0	0	112.7	A26 L28 L52 T56 P57 A58 F59 Y66 I69 I90 K95	A26-L61 HydrophobicContact CB-CD2 3.81Å; L28-L61 HydrophobicContact CD1-CD1 4.28Å; L52-L61 HydrophobicContact CD1-CD2 3.57Å; T56-L61 HydrophobicContact CG2-CD2 4.06Å; T56-L61 HydrophobicContact CG2-CG 4.12Å; P57-L61 PolarHBondContact O-N 2.87Å; A58-L61 PolarHBondContact O-N 3.17Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 3.11Å; L61-Y66 HydrophobicContact CB-CD2 4.31Å; L61-Y66 HydrophobicContact CD2-CD2 3.8Å; L61-Y66 HydrophobicContact CD2-CE2 3.78Å; L61-I69 HydrophobicContact CD1-CD1 3.81Å; L61-I69 HydrophobicContact CD1-CG1 4.48Å; L61-I90 HydrophobicContact CD1-CG2 4.11Å; L61-K95 PolarHBondContact O-NZ 3.15Å
62	R	83.1	Confident	85.5	Confident	167 Å²	167	47 Å²	47	63%	0.63	23%	0.231	S	C	*	.	H	α-helix	trans	-76.6	-50.5	175.5	-171.5	177.2	178.7	178.3	-0.5	111.1	A58 F59 A60 Q64 G65	A58-R62 PolarHBondContact O-N 3.43Å; A58-R62 VanDerWaalsContact O-N 3.13Å; F59-R62 WeakPolarHBondContact O-CA 3.42Å; F59-R62 WeakPolarHBondContact O-CB 3.15Å; F59-R62 PolarHBondContact O-N 2.86Å; A60-R62 PolarHBondContact O-N 3.38Å; R62-Q64 VanDerWaalsContact C-N 3.34Å; R62-Q64 PolarHBondContact O-N 2.99Å; R62-G65 PolarHBondContact O-N 3.12Å; R62-G65 VanDerWaalsContact O-N 3.15Å
63	E	83.7	Confident	84.9	Confident	139 Å²	139	45.4 Å²	45.4	65%	0.65	22%	0.222	S	C	*	.	H	α-helix	trans	-61.4	-40	-179	-74.4	-163.9	142.3	0	0	112.9	F59 A60 G65	F59-E63 HydrophobicContact CD1-CG 4.18Å; F59-E63 HydrophobicContact CE1-CG 3.71Å; F59-E63 WeakPolarHBondContact CE1-OE1 3.3Å; F59-E63 WeakPolarHBondContact CE1-OE2 3.49Å; F59-E63 HydrophobicContact CE2-CG 4.26Å; F59-E63 HydrophobicContact CZ-CG 3.75Å; F59-E63 WeakPolarHBondContact CZ-OE1 3.47Å; F59-E63 PolarHBondContact O-N 2.97Å; A60-E63 PolarHBondContact O-N 2.99Å; E63-G65 PolarHBondContact O-N 2.94Å
64	Q	80.3	Confident	84.1	Confident	82 Å²	82	43.8 Å²	43.8	38%	0.383	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.7	179.4	-69.3	178.9	0.1	0	0	113.3	C21 A60 R62 Y66	C21-Q64 CarbonylContact C-O 3.52Å; C21-Q64 WeakPolarHBondContact CA-O 3.35Å; C21-Q64 VanDerWaalsContact CB-O 3.26Å; C21-Q64 WeakPolarHBondContact CB-O 3.49Å; C21-Q64 PolarHBondContact N-O 3.29Å; C21-Q64 VanDerWaalsContact N-O 3.12Å; A60-Q64 WeakPolarHBondContact O-CB 3.31Å; A60-Q64 WeakPolarHBondContact O-CG 3.27Å; A60-Q64 PolarHBondContact O-N 3.28Å; R62-Q64 VanDerWaalsContact C-N 3.34Å; R62-Q64 PolarHBondContact O-N 2.99Å; Q64-Y66 HydrophobicContact CB-CD2 4.06Å; Q64-Y66 HydrophobicContact CB-CE2 3.69Å; Q64-Y66 HydrophobicContact CG-CE2 4.47Å; Q64-Y66 VanDerWaalsContact OE1-CZ 3.28Å; Q64-Y66 PolarHBondContact OE1-OH 3.37Å
65	G	82.7	Confident	82.8	Confident	26 Å²	26	47.9 Å²	47.9	27%	0.268	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	19.1	171.3	0	0	0	0	0	115.9	R62 E63	R62-G65 PolarHBondContact O-N 3.12Å; R62-G65 VanDerWaalsContact O-N 3.15Å; E63-G65 PolarHBondContact O-N 2.94Å
66	Y	87.1	Confident	82	Confident	5 Å²	5	44.7 Å²	44.7	2%	0.02	24%	0.237	C	C	.	.			trans	-56.6	145	177.5	-64.2	-68.6	0	0	0	112.8	C21 A24 A26 E50 L52 L61 Q64 K95	C21-Y66 HydrophobicContact CB-CD1 4.39Å; C21-Y66 HydrophobicContact CB-CE1 4.03Å; A24-Y66 HydrophobicContact CB-CD1 3.76Å; A24-Y66 HydrophobicContact CB-CE1 3.97Å; A24-Y66 CarbonylContact O-C 3.11Å; A24-Y66 WeakPolarHBondContact O-CA 3.37Å; A26-Y66 HydrophobicContact CB-CD1 4.02Å; A26-Y66 HydrophobicContact CB-CD2 3.93Å; A26-Y66 HydrophobicContact CB-CE1 4.26Å; A26-Y66 HydrophobicContact CB-CE2 4.13Å; A26-Y66 HydrophobicContact CB-CG 3.86Å; E50-Y66 HydrophobicContact CB-CE1 4.36Å; E50-Y66 PolarHBondContact OE2-OH 2.91Å; L52-Y66 HydrophobicContact CD1-CE2 3.95Å; L61-Y66 HydrophobicContact CB-CD2 4.31Å; L61-Y66 HydrophobicContact CD2-CD2 3.8Å; L61-Y66 HydrophobicContact CD2-CE2 3.78Å; Q64-Y66 HydrophobicContact CB-CD2 4.06Å; Q64-Y66 HydrophobicContact CB-CE2 3.69Å; Q64-Y66 HydrophobicContact CG-CE2 4.47Å; Q64-Y66 VanDerWaalsContact OE1-CZ 3.28Å; Q64-Y66 PolarHBondContact OE1-OH 3.37Å; Y66-K95 VanDerWaalsContact O-CD 3.27Å; Y66-K95 WeakPolarHBondContact O-CD 3.36Å; Y66-K95 WeakPolarHBondContact O-CE 3.49Å; Y66-K95 PolarHBondContact O-NZ 2.97Å
67	R	88.2	Confident	81.3	Confident	101 Å²	101	45.3 Å²	45.3	38%	0.381	24%	0.243	S	C	.	.	S	Bend	trans	-86.3	-34.8	177.7	-77.7	-165.8	-178.8	-177.9	4.9	113.8	A24 P96 G209	A24-R67 PolarHBondContact O-N 2.67Å; R67-P96 WeakPolarHBondContact O-CD 3.48Å; R67-G209 PolarHBondContact NH1-O 2.95Å
68	A	91	Very high	80.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	164	-178.9	0	0	0	0	0	111.4	V25 A26 P96 F203 A208	V25-A68 HydrophobicContact CG2-CB 4.46Å; A26-A68 PolarHBondContact N-O 2.9Å; A68-P96 WeakPolarHBondContact CA-O 3.37Å; A68-P96 HydrophobicContact CB-CB 4.45Å; A68-F203 HydrophobicContact CB-CE1 3.87Å; A68-F203 HydrophobicContact CB-CZ 3.94Å; A68-A208 HydrophobicContact CB-CB 3.64Å
69	I	92.2	Very high	80	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.7	179.3	-58.1	169.2	0	0	0	108.7	A26 L28 L61 I71 I93 P96 V97 L98	A26-I69 CarbonylContact O-C 3.5Å; A26-I69 WeakPolarHBondContact O-CA 3.34Å; L28-I69 HydrophobicContact CD1-CG2 3.8Å; L28-I69 HydrophobicContact CG-CG2 4.09Å; L61-I69 HydrophobicContact CD1-CD1 3.81Å; L61-I69 HydrophobicContact CD1-CG1 4.48Å; I69-I71 HydrophobicContact CG2-CD1 4.49Å; I69-I71 HydrophobicContact CG2-CG1 3.92Å; I69-I93 HydrophobicContact CD1-CD1 3.71Å; I69-P96 PolarHBondContact N-O 3.44Å; I69-V97 HydrophobicContact CB-CG1 4.4Å; I69-V97 HydrophobicContact CB-CG2 4.29Å; I69-V97 HydrophobicContact CG2-CG1 4.47Å; I69-V97 CarbonylContact O-C 3.55Å; I69-V97 VanDerWaalsContact O-CA 3.28Å; I69-V97 WeakPolarHBondContact O-CA 3.26Å; I69-L98 PolarHBondContact O-N 2.77Å
70	I	92.6	Very high	79.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.3	169.9	-55.9	176	0	0	0	107.3	V25 A26 I27 L28 I38 V42 L98 I100 F203	V25-I70 HydrophobicContact CG1-CD1 3.88Å; V25-I70 HydrophobicContact CG1-CG1 3.9Å; A26-I70 PolarHBondContact O-N 3.36Å; I27-I70 CarbonylContact C-O 3.53Å; I27-I70 VanDerWaalsContact CA-O 3.31Å; I27-I70 WeakPolarHBondContact CA-O 3.47Å; I27-I70 HydrophobicContact CG1-CB 4.4Å; L28-I70 PolarHBondContact N-O 2.94Å; I38-I70 HydrophobicContact CD1-CG2 4.41Å; I38-I70 HydrophobicContact CG2-CB 4.49Å; I38-I70 HydrophobicContact CG2-CD1 4.01Å; I38-I70 HydrophobicContact CG2-CG2 3.93Å; V42-I70 HydrophobicContact CG2-CD1 3.81Å; I70-L98 CarbonylContact C-O 3.55Å; I70-L98 WeakPolarHBondContact CA-O 3.31Å; I70-L98 HydrophobicContact CG1-CB 4.35Å; I70-I100 HydrophobicContact CG2-CD1 3.97Å; I70-F203 HydrophobicContact CD1-CE1 4.34Å; I70-F203 HydrophobicContact CG1-CD1 4.43Å; I70-F203 HydrophobicContact CG1-CE1 3.84Å
71	I	90.5	Very high	78.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125	178.9	-52.9	176.1	0	0	0	107.6	L28 L54 I69 I90 F91 V97 L98 I100 M106	L28-I71 HydrophobicContact CB-CG1 4.32Å; L28-I71 HydrophobicContact CD1-CG1 4.21Å; L28-I71 WeakPolarHBondContact O-CA 3.36Å; L54-I71 HydrophobicContact CD1-CG2 4.02Å; I69-I71 HydrophobicContact CG2-CD1 4.49Å; I69-I71 HydrophobicContact CG2-CG1 3.92Å; I71-I90 HydrophobicContact CD1-CD1 3.66Å; I71-I90 HydrophobicContact CD1-CG1 4.48Å; I71-F91 HydrophobicContact CD1-CE1 3.67Å; I71-F91 HydrophobicContact CD1-CZ 3.57Å; I71-V97 HydrophobicContact CD1-CG1 3.82Å; I71-V97 HydrophobicContact CG1-CG1 4.13Å; I71-L98 PolarHBondContact N-O 2.87Å; I71-I100 PolarHBondContact O-N 2.8Å; I71-M106 HydrophobicContact CG2-SD 3.97Å
72	S	84.8	Confident	78	Confident	1 Å²	1	58 Å²	58	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	157.7	177.3	71.4	0	0	0	0	111	L28 A30	L28-S72 PolarHBondContact O-N 3.38Å; A30-S72 WeakPolarHBondContact CB-O 3.29Å; A30-S72 PolarHBondContact N-O 2.95Å
73	G	71.6	Confident	77.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.285	C	S	.	.			trans	-170.9	165.5	173.1	0	0	0	0	0	113.1	Y102	G73-Y102 VanDerWaalsContact CA-CB 3.49Å
74	G	65.1	Low	77.1	Confident	17 Å²	17	47.3 Å²	47.3	18%	0.175	27%	0.269	C	S	.	.			trans	-81	-173.1	-176.6	0	0	0	0	0	113.7	A76	G74-A76 PolarHBondContact O-N 3.24Å
75	P	56.5	Low	77	Confident	94 Å²	94	51.4 Å²	51.4	61%	0.61	28%	0.282	S	S	*	.	S	Bend	trans	-74.7	8.8	-176.3	33.3	-37.8	0	0	0	113.9
76	A	64.4	Low	77	Confident	61 Å²	61	51.7 Å²	51.7	50%	0.504	28%	0.276	S	S	.	.			trans	-65.8	145.3	178.5	0	0	0	0	0	110.2	G74 Y102	G74-A76 PolarHBondContact O-N 3.24Å; A76-Y102 WeakPolarHBondContact O-CD2 3.44Å; A76-Y102 VanDerWaalsContact O-CE2 3.26Å; A76-Y102 WeakPolarHBondContact O-CE2 3.26Å
77	S	68.4	Low	76.9	Confident	34 Å²	34	53.5 Å²	53.5	24%	0.238	29%	0.286	C	S	.	.			trans	-77.7	133.8	178.8	-169.5	0	0	0	0	110.7	Y79 A80 D152	S77-Y79 PolarHBondContact O-N 3.43Å; S77-Y79 VanDerWaalsContact O-N 3.09Å; S77-Y79 PolarHBondContact OG-N 3.38Å; S77-A80 WeakPolarHBondContact O-CB 3.22Å; S77-A80 PolarHBondContact O-N 2.9Å; S77-A80 VanDerWaalsContact O-N 3.08Å; S77-D152 WeakPolarHBondContact CB-OD2 3.45Å; S77-D152 PolarHBondContact OG-OD2 2.94Å
78	V	71.3	Confident	76.8	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.024	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.3	172.7	-67.2	0	0	0	0	113.9	Y102 Q105 M106 K109 V115	V78-Y102 HydrophobicContact CB-CE2 4.14Å; V78-Y102 HydrophobicContact CG1-CD2 3.69Å; V78-Y102 HydrophobicContact CG1-CE1 4.19Å; V78-Y102 HydrophobicContact CG1-CE2 3.3Å; V78-Y102 HydrophobicContact CG1-CG 4.28Å; V78-Q105 HydrophobicContact CG1-CB 3.62Å; V78-Q105 HydrophobicContact CG2-CB 4.05Å; V78-M106 HydrophobicContact CG1-CG 3.97Å; V78-K109 HydrophobicContact CB-CD 4.43Å; V78-K109 HydrophobicContact CG2-CD 4.33Å; V78-K109 PolarHBondContact O-NZ 3.32Å; V78-V115 HydrophobicContact CG2-CG2 4.4Å
79	Y	71.8	Confident	76.6	Confident	112 Å²	112	56.4 Å²	56.4	44%	0.439	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-2	176.4	-68.7	-75.2	0	0	0	113.6	S77 K109 V115	S77-Y79 PolarHBondContact O-N 3.43Å; S77-Y79 VanDerWaalsContact O-N 3.09Å; S77-Y79 PolarHBondContact OG-N 3.38Å; Y79-K109 HydrophobicContact CE1-CD 4.21Å; Y79-V115 HydrophobicContact CE2-CB 3.84Å; Y79-V115 HydrophobicContact CE2-CG2 4.21Å
80	A	72.1	Confident	76.3	Confident	45 Å²	45	56.4 Å²	56.4	37%	0.372	31%	0.31	S	S	.	.	S	Bend	trans	-62.4	145.7	175.2	0	0	0	0	0	110.6	S77 D82 A83	S77-A80 WeakPolarHBondContact O-CB 3.22Å; S77-A80 PolarHBondContact O-N 2.9Å; S77-A80 VanDerWaalsContact O-N 3.08Å; A80-D82 PolarHBondContact O-N 2.99Å; A80-A83 VanDerWaalsContact O-CB 3.24Å; A80-A83 WeakPolarHBondContact O-CB 3.43Å; A80-A83 PolarHBondContact O-N 3.15Å; A80-A83 VanDerWaalsContact O-N 3.1Å
81	E	68.4	Low	76	Confident	202 Å²	202	56.8 Å²	56.8	94%	0.944	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.1	175.1	-65.3	-177.1	176	0	0	111.6	A83	E81-A83 VanDerWaalsContact C-N 3.33Å; E81-A83 PolarHBondContact O-N 3.37Å
82	D	73.3	Confident	75.8	Confident	127 Å²	127	61.3 Å²	61.3	68%	0.679	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	13.1	177.3	-63.8	-32.2	0	0	0	114.1	A80	A80-D82 PolarHBondContact O-N 2.99Å
83	A	72.1	Confident	75.8	Confident	36 Å²	36	63.1 Å²	63.1	30%	0.298	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-63.2	131.7	-179	0	0	0	0	0	110.8	A80 E81	A80-A83 VanDerWaalsContact O-CB 3.24Å; A80-A83 WeakPolarHBondContact O-CB 3.43Å; A80-A83 PolarHBondContact O-N 3.15Å; A80-A83 VanDerWaalsContact O-N 3.1Å; E81-A83 VanDerWaalsContact C-N 3.33Å; E81-A83 PolarHBondContact O-N 3.37Å
84	P	73.9	Confident	76.3	Confident	47 Å²	47	66.7 Å²	66.7	31%	0.305	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-61.4	140.4	-178.1	24.2	-34.2	0	0	0	111.5	A30 L54 Y102	A30-P84 HydrophobicContact CB-CG 4.3Å; L54-P84 HydrophobicContact CD2-CB 3.86Å; L54-P84 HydrophobicContact CD2-CG 3.7Å; P84-Y102 HydrophobicContact CG-CE1 4.33Å
85	Y	78.8	Confident	77.4	Confident	167 Å²	167	67.4 Å²	67.4	66%	0.655	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-68.1	144.6	178.1	179.8	-97.5	0	0	0	110.8	E55	E55-Y85 WeakPolarHBondContact CG-O 3.37Å
86	F	83.7	Confident	79.2	Confident	33 Å²	33	63.5 Å²	63.5	15%	0.145	36%	0.358	C	S	.	.			trans	-149.4	152.2	175.9	69.8	-86.7	0	0	0	111	L54 Q88 I90 F91 M106 V110	L54-F86 HydrophobicContact CD2-CB 4.14Å; L54-F86 HydrophobicContact CG-CB 3.95Å; F86-Q88 HydrophobicContact CE2-CG 4.08Å; F86-I90 HydrophobicContact CD2-CD1 4.3Å; F86-F91 HydrophobicContact CE2-CE2 4.15Å; F86-M106 HydrophobicContact CB-CE 3.67Å; F86-M106 HydrophobicContact CD1-CE 3.22Å; F86-M106 HydrophobicContact CD2-CE 3.54Å; F86-M106 HydrophobicContact CE1-CE 3.58Å; F86-M106 HydrophobicContact CE1-CG 4.44Å; F86-M106 HydrophobicContact CE2-CE 3.89Å; F86-M106 HydrophobicContact CG-CE 3.18Å; F86-M106 HydrophobicContact CZ-CB 4.46Å; F86-M106 HydrophobicContact CZ-CE 3.9Å; F86-V110 HydrophobicContact CE2-CG2 3.67Å; F86-V110 HydrophobicContact CZ-CG2 3.84Å
87	D	84.9	Confident	80.6	Confident	43 Å²	43	60.6 Å²	60.6	23%	0.23	33%	0.334	C	S	.	.			trans	-80.6	119.4	175	-177.3	0.8	0	0	0	110.5	A58 A89 I90	A58-D87 VanDerWaalsContact CB-OD2 3.32Å; A58-D87 WeakPolarHBondContact CB-OD2 3.48Å; A58-D87 PolarHBondContact N-OD2 3.24Å; D87-A89 PolarHBondContact O-N 3.13Å; D87-A89 VanDerWaalsContact OD1-CB 3.25Å; D87-A89 WeakPolarHBondContact OD1-CB 3.31Å; D87-A89 PolarHBondContact OD1-N 3.19Å; D87-I90 HydrophobicContact CB-CG2 4.34Å; D87-I90 WeakPolarHBondContact O-CD1 3.35Å; D87-I90 WeakPolarHBondContact O-CG1 3.33Å; D87-I90 WeakPolarHBondContact O-CG2 3.25Å; D87-I90 PolarHBondContact O-N 2.92Å
88	Q	84.8	Confident	81.8	Confident	127 Å²	127	59.1 Å²	59.1	59%	0.593	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-65.8	-22.3	179.1	-62.2	-179.1	10.2	0	0	112.6	F86 I90 F91 V110	F86-Q88 HydrophobicContact CE2-CG 4.08Å; Q88-I90 PolarHBondContact O-N 3.38Å; Q88-I90 VanDerWaalsContact O-N 3.15Å; Q88-F91 PolarHBondContact O-N 3.04Å; Q88-V110 HydrophobicContact CB-CG1 4.48Å; Q88-V110 HydrophobicContact CG-CG2 4.32Å
89	A	86.8	Confident	82.7	Confident	34 Å²	34	58.9 Å²	58.9	28%	0.281	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-64.7	-18.8	-178.4	0	0	0	0	0	112.7	A58 D87 F91 T92 I93	A58-A89 HydrophobicContact CB-CB 3.67Å; D87-A89 PolarHBondContact O-N 3.13Å; D87-A89 VanDerWaalsContact OD1-CB 3.25Å; D87-A89 WeakPolarHBondContact OD1-CB 3.31Å; D87-A89 PolarHBondContact OD1-N 3.19Å; A89-F91 PolarHBondContact O-N 3.37Å; A89-F91 VanDerWaalsContact O-N 3.08Å; A89-T92 WeakPolarHBondContact CA-OG1 3.41Å; A89-T92 PolarHBondContact O-N 3.06Å; A89-T92 PolarHBondContact O-OG1 3.13Å; A89-I93 WeakPolarHBondContact O-CG2 3.41Å; A89-I93 PolarHBondContact O-N 3.49Å
90	I	86.8	Confident	83.6	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-55.1	-29.4	177.8	68.2	-172.3	0	0	0	113.1	L28 A58 L61 I71 F86 D87 Q88 I93	L28-I90 HydrophobicContact CD1-CD1 4.27Å; A58-I90 HydrophobicContact CB-CG2 3.91Å; L61-I90 HydrophobicContact CD1-CG2 4.11Å; I71-I90 HydrophobicContact CD1-CD1 3.66Å; I71-I90 HydrophobicContact CD1-CG1 4.48Å; F86-I90 HydrophobicContact CD2-CD1 4.3Å; D87-I90 HydrophobicContact CB-CG2 4.34Å; D87-I90 WeakPolarHBondContact O-CD1 3.35Å; D87-I90 WeakPolarHBondContact O-CG1 3.33Å; D87-I90 WeakPolarHBondContact O-CG2 3.25Å; D87-I90 PolarHBondContact O-N 2.92Å; Q88-I90 PolarHBondContact O-N 3.38Å; Q88-I90 VanDerWaalsContact O-N 3.15Å; I90-I93 WeakPolarHBondContact O-CG1 3.45Å
91	F	86.6	Confident	84.1	Confident	7 Å²	7	51.6 Å²	51.6	3%	0.031	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-86.8	-7.9	178.4	-59.9	-72.4	0	0	0	113.6	I71 F86 Q88 A89 V97 M106 M107 V110 F111 L181	I71-F91 HydrophobicContact CD1-CE1 3.67Å; I71-F91 HydrophobicContact CD1-CZ 3.57Å; F86-F91 HydrophobicContact CE2-CE2 4.15Å; Q88-F91 PolarHBondContact O-N 3.04Å; A89-F91 PolarHBondContact O-N 3.37Å; A89-F91 VanDerWaalsContact O-N 3.08Å; F91-V97 HydrophobicContact CD1-CB 4.42Å; F91-V97 HydrophobicContact CD1-CG1 4.1Å; F91-V97 HydrophobicContact CD1-CG2 4.37Å; F91-V97 HydrophobicContact CE1-CG1 3.87Å; F91-M106 HydrophobicContact CZ-CB 4.4Å; F91-M107 HydrophobicContact CD1-CB 4.44Å; F91-M107 HydrophobicContact CD1-CE 4.21Å; F91-M107 HydrophobicContact CD1-CG 4.16Å; F91-M107 HydrophobicContact CE1-CB 3.79Å; F91-M107 HydrophobicContact CE1-CE 3.88Å; F91-M107 HydrophobicContact CE1-CG 3.98Å; F91-M107 HydrophobicContact CZ-CB 4.09Å; F91-V110 HydrophobicContact CD2-CB 4.26Å; F91-V110 HydrophobicContact CD2-CG1 4.11Å; F91-V110 HydrophobicContact CD2-CG2 4.04Å; F91-V110 HydrophobicContact CE2-CB 4.49Å; F91-V110 HydrophobicContact CE2-CG2 3.93Å; F91-F111 HydrophobicContact CB-CE2 3.86Å; F91-F111 HydrophobicContact CB-CZ 3.9Å; F91-F111 HydrophobicContact CG-CE2 4.31Å; F91-L181 HydrophobicContact CD1-CD2 4.49Å
92	T	85.6	Confident	84.8	Confident	95 Å²	95	42.2 Å²	42.2	58%	0.583	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-10.5	-174.4	60.5	0	0	0	0	114.6	A89 G94	A89-T92 WeakPolarHBondContact CA-OG1 3.41Å; A89-T92 PolarHBondContact O-N 3.06Å; A89-T92 PolarHBondContact O-OG1 3.13Å; T92-G94 PolarHBondContact O-N 3.08Å
93	I	84.5	Confident	85.5	Confident	40 Å²	40	36.1 Å²	36.1	21%	0.205	21%	0.208	C	C	.	.	S	Bend	trans	-68.4	1.7	179.8	53.2	170	0	0	0	114.8	A58 I69 A89 I90 K95	A58-I93 HydrophobicContact CB-CG2 3.79Å; I69-I93 HydrophobicContact CD1-CD1 3.71Å; A89-I93 WeakPolarHBondContact O-CG2 3.41Å; A89-I93 PolarHBondContact O-N 3.49Å; I90-I93 WeakPolarHBondContact O-CG1 3.45Å; I93-K95 VanDerWaalsContact C-N 3.31Å; I93-K95 HydrophobicContact CD1-CB 4.34Å; I93-K95 HydrophobicContact CD1-CD 4.02Å; I93-K95 HydrophobicContact CD1-CG 4.15Å; I93-K95 HydrophobicContact CG1-CB 4.37Å; I93-K95 HydrophobicContact CG1-CG 4.31Å; I93-K95 PolarHBondContact O-N 2.78Å
94	G	83.6	Confident	86.3	Confident	74 Å²	74	34.4 Å²	34.4	76%	0.763	19%	0.194	S	C	*	.	S	Bend	trans	76	14.6	176.1	0	0	0	0	0	114.7	T92	T92-G94 PolarHBondContact O-N 3.08Å
95	K	88.1	Confident	86.8	Confident	32 Å²	32	32.5 Å²	32.5	14%	0.139	18%	0.181	C	C	.	.			trans	-96.1	145.1	172.7	-60.8	-170.1	178.2	-165.7	0	109.9	L61 Y66 I93	L61-K95 PolarHBondContact O-NZ 3.15Å; Y66-K95 VanDerWaalsContact O-CD 3.27Å; Y66-K95 WeakPolarHBondContact O-CD 3.36Å; Y66-K95 WeakPolarHBondContact O-CE 3.49Å; Y66-K95 PolarHBondContact O-NZ 2.97Å; I93-K95 VanDerWaalsContact C-N 3.31Å; I93-K95 HydrophobicContact CD1-CB 4.34Å; I93-K95 HydrophobicContact CD1-CD 4.02Å; I93-K95 HydrophobicContact CD1-CG 4.15Å; I93-K95 HydrophobicContact CG1-CB 4.37Å; I93-K95 HydrophobicContact CG1-CG 4.31Å; I93-K95 PolarHBondContact O-N 2.78Å
96	P	92.9	Very high	87.2	Confident	12 Å²	12	24.6 Å²	24.6	8%	0.078	15%	0.15	C	C	.	.			trans	-61.3	138.3	173.6	-22.8	34.7	0	0	0	112	R67 A68 I69 K180 F203 I207	R67-P96 WeakPolarHBondContact O-CD 3.48Å; A68-P96 WeakPolarHBondContact CA-O 3.37Å; A68-P96 HydrophobicContact CB-CB 4.45Å; I69-P96 PolarHBondContact N-O 3.44Å; P96-K180 VanDerWaalsContact CA-O 3.31Å; P96-K180 WeakPolarHBondContact CA-O 3.19Å; P96-K180 HydrophobicContact CB-CB 3.98Å; P96-K180 HydrophobicContact CG-CB 4.09Å; P96-K180 HydrophobicContact CG-CD 3.88Å; P96-F203 HydrophobicContact CB-CE2 4.14Å; P96-F203 HydrophobicContact CB-CZ 4.26Å; P96-I207 HydrophobicContact CB-CG2 3.77Å; P96-I207 HydrophobicContact CG-CG2 4.19Å
97	V	93.6	Very high	87.5	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.4	-179.7	-172.1	0	0	0	0	110.4	I69 I71 F91 M107 K180 L181 Y182	I69-V97 HydrophobicContact CB-CG1 4.4Å; I69-V97 HydrophobicContact CB-CG2 4.29Å; I69-V97 HydrophobicContact CG2-CG1 4.47Å; I69-V97 CarbonylContact O-C 3.55Å; I69-V97 VanDerWaalsContact O-CA 3.28Å; I69-V97 WeakPolarHBondContact O-CA 3.26Å; I71-V97 HydrophobicContact CD1-CG1 3.82Å; I71-V97 HydrophobicContact CG1-CG1 4.13Å; F91-V97 HydrophobicContact CD1-CB 4.42Å; F91-V97 HydrophobicContact CD1-CG1 4.1Å; F91-V97 HydrophobicContact CD1-CG2 4.37Å; F91-V97 HydrophobicContact CE1-CG1 3.87Å; V97-M107 HydrophobicContact CB-CE 4.17Å; V97-M107 HydrophobicContact CG1-CE 3.97Å; V97-K180 PolarHBondContact N-O 3.23Å; V97-K180 VanDerWaalsContact N-O 3.17Å; V97-L181 HydrophobicContact CB-CD2 3.6Å; V97-L181 HydrophobicContact CG2-CD2 3.58Å; V97-Y182 PolarHBondContact O-N 3.09Å
98	L	93.5	Very high	87.7	Confident	3 Å²	3	21 Å²	21	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.2	169.1	179.1	63.9	0	0	0	109.4	I69 I70 I71 I100 L136 Y182 L200 F203	I69-L98 PolarHBondContact O-N 2.77Å; I70-L98 CarbonylContact C-O 3.55Å; I70-L98 WeakPolarHBondContact CA-O 3.31Å; I70-L98 HydrophobicContact CG1-CB 4.35Å; I71-L98 PolarHBondContact N-O 2.87Å; L98-I100 HydrophobicContact CD2-CD1 4.45Å; L98-I100 HydrophobicContact CD2-CG1 4.5Å; L98-I100 HydrophobicContact CG-CG1 4.28Å; L98-L136 HydrophobicContact CD1-CD2 4.2Å; L98-Y182 CarbonylContact C-O 3.54Å; L98-Y182 VanDerWaalsContact CA-O 3.32Å; L98-Y182 WeakPolarHBondContact CA-O 3.31Å; L98-L200 HydrophobicContact CD2-CD2 3.93Å; L98-F203 HydrophobicContact CB-CD1 4.09Å; L98-F203 HydrophobicContact CB-CD2 3.95Å; L98-F203 HydrophobicContact CB-CE1 3.76Å; L98-F203 HydrophobicContact CB-CE2 3.63Å; L98-F203 HydrophobicContact CB-CG 4.17Å; L98-F203 HydrophobicContact CB-CZ 3.52Å; L98-F203 HydrophobicContact CD2-CB 4.48Å; L98-F203 HydrophobicContact CD2-CD1 4.1Å; L98-F203 HydrophobicContact CD2-CG 4.12Å
99	G	91.6	Very high	87.8	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120	175	0	0	0	0	0	111.5	Y182 G183 T184	G99-Y182 PolarHBondContact N-O 2.97Å; G99-G183 CarbonylContact O-C 3.6Å; G99-G183 VanDerWaalsContact O-CA 3.26Å; G99-G183 WeakPolarHBondContact O-CA 3.35Å; G99-T184 PolarHBondContact O-N 3.3Å
100	I	89.1	Confident	87.8	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.9	178.5	-58.9	171.5	0	0	0	109.1	I38 I70 I71 L98 Y102 G103 T184 P188	I38-I100 HydrophobicContact CD1-CD1 3.8Å; I38-I100 HydrophobicContact CG1-CD1 4.26Å; I70-I100 HydrophobicContact CG2-CD1 3.97Å; I71-I100 PolarHBondContact O-N 2.8Å; L98-I100 HydrophobicContact CD2-CD1 4.45Å; L98-I100 HydrophobicContact CD2-CG1 4.5Å; L98-I100 HydrophobicContact CG-CG1 4.28Å; I100-Y102 PolarHBondContact O-N 2.9Å; I100-G103 PolarHBondContact O-N 3.46Å; I100-T184 CarbonylContact C-O 3.52Å; I100-T184 WeakPolarHBondContact CA-O 3.5Å; I100-P188 HydrophobicContact CD1-CG 4.06Å; I100-P188 HydrophobicContact CG1-CG 4.44Å
101	C	84.2	Confident	87.9	Confident	3 Å²	3	21 Å²	21	2%	0.02	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	-101.1	-178.9	-169.8	0	0	0	0	112.2	G103 M104 Q105 T184 Q185	C101-G103 PolarHBondContact O-N 2.83Å; C101-M104 WeakPolarHBondContact O-CB 3.34Å; C101-M104 PolarHBondContact O-N 3.15Å; C101-Q105 PolarHBondContact O-N 3Å; C101-T184 PolarHBondContact N-O 2.83Å; C101-Q185 PolarHBondContact SG-NE2 3.2Å
102	Y	83.1	Confident	87.7	Confident	5 Å²	5	23.1 Å²	23.1	2%	0.02	15%	0.15	C	C	.	.	H	α-helix	trans	-53.3	-39.6	174.2	-166.7	-102.2	0	0	0	112.6	A30 G73 A76 V78 P84 I100 M104 Q105 M106	A30-Y102 HydrophobicContact CB-CD1 3.71Å; A30-Y102 HydrophobicContact CB-CE1 3.91Å; G73-Y102 VanDerWaalsContact CA-CB 3.49Å; A76-Y102 WeakPolarHBondContact O-CD2 3.44Å; A76-Y102 VanDerWaalsContact O-CE2 3.26Å; A76-Y102 WeakPolarHBondContact O-CE2 3.26Å; V78-Y102 HydrophobicContact CB-CE2 4.14Å; V78-Y102 HydrophobicContact CG1-CD2 3.69Å; V78-Y102 HydrophobicContact CG1-CE1 4.19Å; V78-Y102 HydrophobicContact CG1-CE2 3.3Å; V78-Y102 HydrophobicContact CG1-CG 4.28Å; P84-Y102 HydrophobicContact CG-CE1 4.33Å; I100-Y102 PolarHBondContact O-N 2.9Å; Y102-M104 VanDerWaalsContact C-N 3.31Å; Y102-M104 PolarHBondContact O-N 2.91Å; Y102-Q105 WeakPolarHBondContact O-CB 3.28Å; Y102-Q105 PolarHBondContact O-N 3.29Å; Y102-Q105 VanDerWaalsContact O-N 3.13Å; Y102-M106 HydrophobicContact CD1-CG 3.86Å; Y102-M106 HydrophobicContact CD1-SD 3.44Å; Y102-M106 WeakPolarHBondContact CD1-SD 3.27Å; Y102-M106 HydrophobicContact CE1-CE 4.48Å; Y102-M106 HydrophobicContact CE1-CG 3.71Å; Y102-M106 HydrophobicContact CE1-SD 3.43Å; Y102-M106 WeakPolarHBondContact CE1-SD 3.32Å; Y102-M106 VanDerWaalsContact O-CG 3.31Å; Y102-M106 WeakPolarHBondContact O-CG 3.22Å; Y102-M106 PolarHBondContact O-N 2.99Å
103	G	86.6	Confident	87.7	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.1	-35.4	178.1	0	0	0	0	0	113.2	I100 C101 M107	I100-G103 PolarHBondContact O-N 3.46Å; C101-G103 PolarHBondContact O-N 2.83Å; G103-M107 WeakPolarHBondContact O-CB 3.47Å; G103-M107 PolarHBondContact O-N 2.79Å
104	M	88.9	Confident	87.7	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-67.1	-41.5	173.4	170.1	172.8	160	0	0	111.1	C101 Y102 M107 N108 V154 I174 G183 Q185	C101-M104 WeakPolarHBondContact O-CB 3.34Å; C101-M104 PolarHBondContact O-N 3.15Å; Y102-M104 VanDerWaalsContact C-N 3.31Å; Y102-M104 PolarHBondContact O-N 2.91Å; M104-M107 PolarHBondContact O-N 2.67Å; M104-N108 WeakPolarHBondContact O-CB 3.42Å; M104-N108 PolarHBondContact O-N 3.34Å; M104-V154 HydrophobicContact CE-CB 4.26Å; M104-V154 HydrophobicContact CE-CG2 3.77Å; M104-I174 HydrophobicContact CE-CD1 4.44Å; M104-I174 HydrophobicContact CE-CG1 4.1Å; M104-I174 HydrophobicContact CE-CG2 3.95Å; M104-I174 HydrophobicContact CG-CD1 3.99Å; M104-I174 HydrophobicContact CG-CG1 4Å; M104-I174 HydrophobicContact SD-CG1 4.26Å; M104-G183 VanDerWaalsContact SD-C 3.53Å; M104-Q185 HydrophobicContact CE-CB 4.48Å; M104-Q185 HydrophobicContact SD-CB 4.01Å; M104-Q185 PolarHBondContact SD-N 2.92Å; M104-Q185 VanDerWaalsContact SD-N 3.44Å
105	Q	85.5	Confident	87.6	Confident	7 Å²	7	16.1 Å²	16.1	3%	0.033	10%	0.095	C	C	.	.	H	α-helix	trans	-64.9	-42.1	177.7	-64.7	-180	-1.5	0	0	111.8	V78 C101 Y102 N108 K109 V115 D152	V78-Q105 HydrophobicContact CG1-CB 3.62Å; V78-Q105 HydrophobicContact CG2-CB 4.05Å; C101-Q105 PolarHBondContact O-N 3Å; Y102-Q105 WeakPolarHBondContact O-CB 3.28Å; Y102-Q105 PolarHBondContact O-N 3.29Å; Y102-Q105 VanDerWaalsContact O-N 3.13Å; Q105-N108 PolarHBondContact O-N 3.48Å; Q105-K109 WeakPolarHBondContact O-CB 3.43Å; Q105-K109 PolarHBondContact O-N 3.37Å; Q105-V115 HydrophobicContact CB-CG2 4.3Å; Q105-V115 HydrophobicContact CG-CG1 4.26Å; Q105-V115 HydrophobicContact CG-CG2 4.44Å; Q105-D152 PolarHBondContact NE2-O 3.2Å
106	M	86.8	Confident	87	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-58.9	-49.5	173.9	-68.4	170.9	78.6	0	0	111.1	L54 I71 V78 F86 F91 Y102 N108 K109 V110	L54-M106 HydrophobicContact CD1-CE 3.98Å; L54-M106 HydrophobicContact CD1-SD 4.38Å; L54-M106 HydrophobicContact CD2-CE 3.96Å; L54-M106 HydrophobicContact CG-CE 4.29Å; I71-M106 HydrophobicContact CG2-SD 3.97Å; V78-M106 HydrophobicContact CG1-CG 3.97Å; F86-M106 HydrophobicContact CB-CE 3.67Å; F86-M106 HydrophobicContact CD1-CE 3.22Å; F86-M106 HydrophobicContact CD2-CE 3.54Å; F86-M106 HydrophobicContact CE1-CE 3.58Å; F86-M106 HydrophobicContact CE1-CG 4.44Å; F86-M106 HydrophobicContact CE2-CE 3.89Å; F86-M106 HydrophobicContact CG-CE 3.18Å; F86-M106 HydrophobicContact CZ-CB 4.46Å; F86-M106 HydrophobicContact CZ-CE 3.9Å; F91-M106 HydrophobicContact CZ-CB 4.4Å; Y102-M106 HydrophobicContact CD1-CG 3.86Å; Y102-M106 HydrophobicContact CD1-SD 3.44Å; Y102-M106 WeakPolarHBondContact CD1-SD 3.27Å; Y102-M106 HydrophobicContact CE1-CE 4.48Å; Y102-M106 HydrophobicContact CE1-CG 3.71Å; Y102-M106 HydrophobicContact CE1-SD 3.43Å; Y102-M106 WeakPolarHBondContact CE1-SD 3.32Å; Y102-M106 VanDerWaalsContact O-CG 3.31Å; Y102-M106 WeakPolarHBondContact O-CG 3.22Å; Y102-M106 PolarHBondContact O-N 2.99Å; M106-N108 VanDerWaalsContact C-N 3.34Å; M106-N108 PolarHBondContact O-N 3.07Å; M106-K109 PolarHBondContact O-N 2.93Å; M106-V110 WeakPolarHBondContact O-CG2 3.23Å; M106-V110 PolarHBondContact O-N 3.42Å
107	M	89.3	Confident	85.8	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.3	-48.2	178.3	-175.2	-175.6	-65.5	0	0	111	F91 V97 G103 M104 K109 V110 F111 F161 L181 Y182	F91-M107 HydrophobicContact CD1-CB 4.44Å; F91-M107 HydrophobicContact CD1-CE 4.21Å; F91-M107 HydrophobicContact CD1-CG 4.16Å; F91-M107 HydrophobicContact CE1-CB 3.79Å; F91-M107 HydrophobicContact CE1-CE 3.88Å; F91-M107 HydrophobicContact CE1-CG 3.98Å; F91-M107 HydrophobicContact CZ-CB 4.09Å; V97-M107 HydrophobicContact CB-CE 4.17Å; V97-M107 HydrophobicContact CG1-CE 3.97Å; G103-M107 WeakPolarHBondContact O-CB 3.47Å; G103-M107 PolarHBondContact O-N 2.79Å; M104-M107 PolarHBondContact O-N 2.67Å; M107-K109 VanDerWaalsContact C-N 3.34Å; M107-K109 PolarHBondContact O-N 3.21Å; M107-V110 PolarHBondContact O-N 3.08Å; M107-F111 HydrophobicContact CG-CD2 4.31Å; M107-F111 HydrophobicContact CG-CE2 4.35Å; M107-F111 VanDerWaalsContact O-CD2 3.28Å; M107-F111 WeakPolarHBondContact O-CD2 3.46Å; M107-F111 PolarHBondContact O-N 2.88Å; M107-F161 HydrophobicContact CG-CE1 4.15Å; M107-F161 HydrophobicContact CG-CZ 4.02Å; M107-F161 HydrophobicContact SD-CE1 3.62Å; M107-F161 HydrophobicContact SD-CZ 4.04Å; M107-L181 HydrophobicContact CE-CB 4.13Å; M107-L181 HydrophobicContact SD-CB 3.85Å; M107-Y182 VanDerWaalsContact CE-O 3.31Å; M107-Y182 WeakPolarHBondContact CE-O 3.39Å
108	N	89.3	Confident	84.4	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-40.6	179.4	-165.9	64.3	0	0	0	112.2	M104 Q105 M106 F111 G112 G113 V154 K156 A158 I174	M104-N108 WeakPolarHBondContact O-CB 3.42Å; M104-N108 PolarHBondContact O-N 3.34Å; Q105-N108 PolarHBondContact O-N 3.48Å; M106-N108 VanDerWaalsContact C-N 3.34Å; M106-N108 PolarHBondContact O-N 3.07Å; N108-F111 PolarHBondContact O-N 3.21Å; N108-G112 PolarHBondContact O-N 3.39Å; N108-G113 WeakPolarHBondContact ND2-CA 3.45Å; N108-G113 WeakPolarHBondContact O-CA 3.35Å; N108-G113 PolarHBondContact O-N 2.63Å; N108-V154 HydrophobicContact CB-CG2 4.33Å; N108-V154 VanDerWaalsContact ND2-CG1 3.34Å; N108-V154 WeakPolarHBondContact ND2-CG1 3.33Å; N108-K156 PolarHBondContact ND2-O 3.21Å; N108-K156 VanDerWaalsContact ND2-O 3.07Å; N108-A158 WeakPolarHBondContact OD1-CB 3.31Å; N108-A158 PolarHBondContact OD1-N 3.09Å; N108-I174 HydrophobicContact CB-CD1 4.04Å
109	K	87.4	Confident	82.3	Confident	83 Å²	83	37.3 Å²	37.3	36%	0.361	20%	0.204	S	C	.	.	H	α-helix	trans	-63.9	-43.5	178.2	-175.4	179.6	179.9	-174.7	0	112.2	V78 Y79 Q105 M106 M107 F111 G112	V78-K109 HydrophobicContact CB-CD 4.43Å; V78-K109 HydrophobicContact CG2-CD 4.33Å; V78-K109 PolarHBondContact O-NZ 3.32Å; Y79-K109 HydrophobicContact CE1-CD 4.21Å; Q105-K109 WeakPolarHBondContact O-CB 3.43Å; Q105-K109 PolarHBondContact O-N 3.37Å; M106-K109 PolarHBondContact O-N 2.93Å; M107-K109 VanDerWaalsContact C-N 3.34Å; M107-K109 PolarHBondContact O-N 3.21Å; K109-F111 VanDerWaalsContact C-N 3.26Å; K109-F111 PolarHBondContact O-N 3.32Å; K109-G112 PolarHBondContact O-N 2.98Å; K109-G112 VanDerWaalsContact O-N 3.16Å
110	V	87.8	Confident	80.7	Confident	39 Å²	39	41.4 Å²	41.4	24%	0.236	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-34.6	-179.7	171.1	0	0	0	0	111.9	F86 Q88 F91 M106 M107	F86-V110 HydrophobicContact CE2-CG2 3.67Å; F86-V110 HydrophobicContact CZ-CG2 3.84Å; Q88-V110 HydrophobicContact CB-CG1 4.48Å; Q88-V110 HydrophobicContact CG-CG2 4.32Å; F91-V110 HydrophobicContact CD2-CB 4.26Å; F91-V110 HydrophobicContact CD2-CG1 4.11Å; F91-V110 HydrophobicContact CD2-CG2 4.04Å; F91-V110 HydrophobicContact CE2-CB 4.49Å; F91-V110 HydrophobicContact CE2-CG2 3.93Å; M106-V110 WeakPolarHBondContact O-CG2 3.23Å; M106-V110 PolarHBondContact O-N 3.42Å; M107-V110 PolarHBondContact O-N 3.08Å
111	F	87.1	Confident	79.2	Confident	41 Å²	41	48.6 Å²	48.6	18%	0.18	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	18.1	178.6	-66.8	-73.3	0	0	0	113.9	F91 M107 N108 K109 A158 F161 L181	F91-F111 HydrophobicContact CB-CE2 3.86Å; F91-F111 HydrophobicContact CB-CZ 3.9Å; F91-F111 HydrophobicContact CG-CE2 4.31Å; M107-F111 HydrophobicContact CG-CD2 4.31Å; M107-F111 HydrophobicContact CG-CE2 4.35Å; M107-F111 VanDerWaalsContact O-CD2 3.28Å; M107-F111 WeakPolarHBondContact O-CD2 3.46Å; M107-F111 PolarHBondContact O-N 2.88Å; N108-F111 PolarHBondContact O-N 3.21Å; K109-F111 VanDerWaalsContact C-N 3.26Å; K109-F111 PolarHBondContact O-N 3.32Å; F111-A158 HydrophobicContact CB-CB 3.51Å; F111-A158 WeakPolarHBondContact O-CB 3.35Å; F111-F161 HydrophobicContact CB-CE2 3.91Å; F111-F161 HydrophobicContact CD1-CE2 4.43Å; F111-F161 AromaticContact CD2-CE2 3.51Å; F111-F161 HydrophobicContact CD2-CE2 3.51Å; F111-F161 AromaticContact CD2-CZ 3.64Å; F111-F161 HydrophobicContact CD2-CZ 3.64Å; F111-F161 HydrophobicContact CE2-CE2 4.14Å; F111-F161 AromaticContact CE2-CZ 3.92Å; F111-F161 HydrophobicContact CE2-CZ 3.92Å; F111-F161 AromaticContact CG-CE2 3.7Å; F111-F161 HydrophobicContact CG-CE2 3.7Å; F111-F161 HydrophobicContact CG-CZ 4.29Å; F111-L181 HydrophobicContact CE2-CD1 3.58Å; F111-L181 HydrophobicContact CZ-CD1 3.66Å
112	G	83.9	Confident	78	Confident	50 Å²	50	50.1 Å²	50.1	52%	0.515	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	15.3	170.1	0	0	0	0	0	116	N108 K109	N108-G112 PolarHBondContact O-N 3.39Å; K109-G112 PolarHBondContact O-N 2.98Å; K109-G112 VanDerWaalsContact O-N 3.16Å
113	G	85.8	Confident	77	Confident	4 Å²	4	53.6 Å²	53.6	4%	0.041	28%	0.281	C	S	.	.			trans	-81	165.2	170.3	0	0	0	0	0	113.1	N108 K156	N108-G113 WeakPolarHBondContact ND2-CA 3.45Å; N108-G113 WeakPolarHBondContact O-CA 3.35Å; N108-G113 PolarHBondContact O-N 2.63Å; G113-K156 CarbonylContact C-O 3.55Å; G113-K156 WeakPolarHBondContact CA-O 3.49Å
114	T	83.5	Confident	76	Confident	49 Å²	49	54.7 Å²	54.7	30%	0.301	29%	0.292	S	S	.	.			trans	-113.8	145.8	179.8	61.9	0	0	0	0	111.5	D155 K156	T114-D155 PolarHBondContact O-N 2.83Å; T114-D155 VanDerWaalsContact O-N 3.1Å; T114-K156 HydrophobicContact CG2-CB 4.39Å; T114-K156 PolarHBondContact N-O 3.16Å; T114-K156 WeakPolarHBondContact OG1-CB 3.32Å; T114-K156 PolarHBondContact OG1-N 3.33Å
115	V	81	Confident	75.2	Confident	10 Å²	10	58 Å²	58	6%	0.061	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.4	174.1	-165.4	0	0	0	0	107.2	V78 Y79 Q105 D152 S153 V154	V78-V115 HydrophobicContact CG2-CG2 4.4Å; Y79-V115 HydrophobicContact CE2-CB 3.84Å; Y79-V115 HydrophobicContact CE2-CG2 4.21Å; Q105-V115 HydrophobicContact CB-CG2 4.3Å; Q105-V115 HydrophobicContact CG-CG1 4.26Å; Q105-V115 HydrophobicContact CG-CG2 4.44Å; V115-D152 HydrophobicContact CG1-CB 3.89Å; V115-S153 WeakPolarHBondContact CA-O 3.1Å; V115-S153 WeakPolarHBondContact CG1-O 3.34Å; V115-V154 HydrophobicContact CG2-CG2 4.36Å
116	H	75.7	Confident	74.7	Confident	102 Å²	102	61.2 Å²	61.2	47%	0.472	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.6	177.7	-77.8	-63.5	0	0	0	110.4	K118 S153 D155	H116-K118 PolarHBondContact O-N 3.22Å; H116-S153 PolarHBondContact N-O 2.88Å; H116-S153 PolarHBondContact O-N 3.45Å; H116-S153 PolarHBondContact O-OG 2.76Å; H116-D155 IonicContact CD2-OD2 3.75Å; H116-D155 PolarHBondContact CD2-OD2 3.03Å; H116-D155 IonicContact NE2-OD2 2.69Å
117	K	67.4	Low	74.5	Confident	171 Å²	171	64.9 Å²	64.9	74%	0.743	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	112.6	169.7	-171.2	162.5	-173.4	176.4	0	108.8	D152	K117-D152 WeakPolarHBondContact CA-OD1 3.47Å; K117-D152 WeakPolarHBondContact CB-OD1 3.24Å; K117-D152 WeakPolarHBondContact CD-OD1 3.41Å; K117-D152 WeakPolarHBondContact CG-OD1 3.17Å
118	K	63.8	Low	74.3	Confident	91 Å²	91	64.9 Å²	64.9	40%	0.396	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	154.9	176.1	-80.6	179.9	174.2	176.2	0	109.8	H116 V120 S153 A169 F170	H116-K118 PolarHBondContact O-N 3.22Å; K118-V120 PolarHBondContact O-N 2.89Å; K118-S153 WeakPolarHBondContact CD-OG 3.33Å; K118-A169 PolarHBondContact NZ-O 2.92Å; K118-F170 HydrophobicContact CB-CE1 4.22Å; K118-F170 HydrophobicContact CD-CD1 4.06Å; K118-F170 HydrophobicContact CD-CE1 3.41Å; K118-F170 VanDerWaalsContact CD-CE1 3.41Å; K118-F170 HydrophobicContact CD-CZ 4.13Å; K118-F170 HydrophobicContact CG-CE1 4.38Å
119	S	50	Low	74.2	Confident	128 Å²	128	68.8 Å²	68.8	90%	0.895	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	-18.3	-178.9	53.3	0	0	0	0	113.6
120	V	57.5	Low	74.2	Confident	85 Å²	85	65.3 Å²	65.3	52%	0.515	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121	179.6	-175.8	0	0	0	0	108.6	K118	K118-V120 PolarHBondContact O-N 2.89Å
121	R	57.5	Low	74.2	Confident	152 Å²	152	65.4 Å²	65.4	57%	0.574	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.3	173.8	-173.6	172.2	178.9	-171.9	-12.7	108.4	D123	R121-D123 WeakPolarHBondContact CD-OD2 3.35Å; R121-D123 IonicContact CZ-OD1 3.3Å; R121-D123 IonicContact CZ-OD2 2.89Å; R121-D123 VanDerWaalsContact NE-CG 3.3Å; R121-D123 IonicContact NE-OD1 2.98Å; R121-D123 PolarHBondContact NE-OD1 3.41Å; R121-D123 VanDerWaalsContact NE-OD1 3.14Å; R121-D123 IonicContact NE-OD2 2.62Å; R121-D123 PolarHBondContact NE-OD2 2.82Å; R121-D123 IonicContact NH1-OD2 3.64Å; R121-D123 IonicContact NH2-OD1 2.68Å; R121-D123 IonicContact NH2-OD2 3.22Å; R121-D123 PolarHBondContact NH2-OD2 3.29Å
122	E	59.7	Low	74	Confident	34 Å²	34	66.3 Å²	66.3	16%	0.159	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	93.6	174	-72	-174.1	172.4	0	0	108	F126 L148 F170	E122-F126 HydrophobicContact CB-CE2 3.86Å; E122-F126 HydrophobicContact CB-CZ 4.04Å; E122-F126 HydrophobicContact CG-CE2 4.47Å; E122-F126 HydrophobicContact CG-CZ 4.19Å; E122-L148 CarbonylContact O-C 3.56Å; E122-F170 HydrophobicContact CG-CE2 3.89Å; E122-F170 WeakPolarHBondContact OE1-CE2 3.35Å; E122-F170 VanDerWaalsContact OE2-CD2 3.31Å; E122-F170 WeakPolarHBondContact OE2-CD2 3.48Å; E122-F170 WeakPolarHBondContact OE2-CE2 3.31Å
123	D	62.7	Low	73.9	Confident	79 Å²	79	69.1 Å²	69.1	42%	0.422	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	107.8	169	-66.3	-29.4	0	0	0	107.8	R121 L148	R121-D123 WeakPolarHBondContact CD-OD2 3.35Å; R121-D123 IonicContact CZ-OD1 3.3Å; R121-D123 IonicContact CZ-OD2 2.89Å; R121-D123 VanDerWaalsContact NE-CG 3.3Å; R121-D123 IonicContact NE-OD1 2.98Å; R121-D123 PolarHBondContact NE-OD1 3.41Å; R121-D123 VanDerWaalsContact NE-OD1 3.14Å; R121-D123 IonicContact NE-OD2 2.62Å; R121-D123 PolarHBondContact NE-OD2 2.82Å; R121-D123 IonicContact NH1-OD2 3.64Å; R121-D123 IonicContact NH2-OD1 2.68Å; R121-D123 IonicContact NH2-OD2 3.22Å; R121-D123 PolarHBondContact NH2-OD2 3.29Å; D123-L148 WeakPolarHBondContact CA-O 3.01Å
124	G	65.2	Low	74	Confident	22 Å²	22	69.1 Å²	69.1	23%	0.227	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.7	-178.8	-176.3	0	0	0	0	0	114.1	F126 L148	G124-F126 WeakPolarHBondContact O-CD2 3.22Å; G124-L148 PolarHBondContact N-O 3.02Å; G124-L148 PolarHBondContact O-N 2.75Å
125	V	72.3	Confident	74.1	Confident	71 Å²	71	68.8 Å²	68.8	43%	0.43	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.1	175.2	-175.9	0	0	0	0	108.2	L145 V146 L147 L192	V125-L145 HydrophobicContact CG1-CB 4.18Å; V125-L145 HydrophobicContact CG1-CD2 4.03Å; V125-V146 WeakPolarHBondContact CA-O 3.47Å; V125-L147 HydrophobicContact CG2-CD1 4.26Å; V125-L192 HydrophobicContact CG2-CB 4.35Å
126	F	75.3	Confident	74.4	Confident	73 Å²	73	68.5 Å²	68.5	32%	0.32	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	149.9	-177.8	-63.6	-88.9	0	0	0	110.5	E122 G124 V146 L148	E122-F126 HydrophobicContact CB-CE2 3.86Å; E122-F126 HydrophobicContact CB-CZ 4.04Å; E122-F126 HydrophobicContact CG-CE2 4.47Å; E122-F126 HydrophobicContact CG-CZ 4.19Å; G124-F126 WeakPolarHBondContact O-CD2 3.22Å; F126-V146 PolarHBondContact N-O 3.34Å; F126-V146 PolarHBondContact O-N 2.61Å; F126-L148 HydrophobicContact CB-CD1 3.95Å; F126-L148 HydrophobicContact CD2-CB 4.08Å; F126-L148 HydrophobicContact CD2-CD1 3.79Å; F126-L148 HydrophobicContact CD2-CG 4.31Å; F126-L148 HydrophobicContact CG-CD1 4.14Å
127	N	82.4	Confident	74.9	Confident	78 Å²	78	63.6 Å²	63.6	42%	0.417	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	127.1	171.5	-167.9	19.3	0	0	0	109.3	E143 E144 L145	N127-E143 PolarHBondContact ND2-OE2 2.82Å; N127-E144 WeakPolarHBondContact CA-O 3.15Å; N127-E144 PolarHBondContact OD1-N 2.95Å; N127-E144 VanDerWaalsContact OD1-N 3.15Å; N127-E144 PolarHBondContact OD1-O 2.8Å; N127-L145 HydrophobicContact CB-CD2 4.19Å
128	I	85.2	Confident	75.7	Confident	1 Å²	1	63 Å²	63	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	153.4	-175.5	65.8	156.7	0	0	0	111.3	L130 E143 E144 V146 L148 A165 L172 F186	I128-L130 HydrophobicContact CD1-CD2 3.55Å; I128-L130 HydrophobicContact CD1-CG 4.28Å; I128-L130 HydrophobicContact CG1-CD2 4.25Å; I128-L130 HydrophobicContact CG1-CG 4.48Å; I128-E143 VanDerWaalsContact O-CA 3.3Å; I128-E143 WeakPolarHBondContact O-CA 3.19Å; I128-E144 WeakPolarHBondContact CG1-O 3.41Å; I128-E144 PolarHBondContact N-O 3.49Å; I128-E144 PolarHBondContact O-N 2.79Å; I128-E144 VanDerWaalsContact O-N 3.11Å; I128-V146 HydrophobicContact CB-CG2 4.31Å; I128-V146 HydrophobicContact CD1-CB 4.33Å; I128-V146 HydrophobicContact CD1-CG1 3.67Å; I128-V146 HydrophobicContact CD1-CG2 3.66Å; I128-V146 HydrophobicContact CG1-CB 4.46Å; I128-V146 HydrophobicContact CG1-CG1 3.83Å; I128-V146 HydrophobicContact CG1-CG2 3.74Å; I128-V146 HydrophobicContact CG2-CG2 3.58Å; I128-L148 HydrophobicContact CG2-CD1 4.42Å; I128-A165 HydrophobicContact CD1-CB 4.34Å; I128-L172 HydrophobicContact CB-CD1 4Å; I128-L172 HydrophobicContact CD1-CD1 4.42Å; I128-L172 HydrophobicContact CG2-CD1 3.3Å; I128-F186 HydrophobicContact CD1-CD1 3.82Å; I128-F186 HydrophobicContact CD1-CE1 3.52Å; I128-F186 HydrophobicContact CD1-CZ 4.17Å
129	V	86.8	Confident	76.5	Confident	82 Å²	82	61.7 Å²	61.7	50%	0.497	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.3	177.3	-176.5	0	0	0	0	110.2	K142 E143 A165 K166	V129-K142 CarbonylContact C-O 3.6Å; V129-K142 VanDerWaalsContact CA-O 3.27Å; V129-K142 WeakPolarHBondContact CA-O 3.46Å; V129-E143 HydrophobicContact CG2-CG 4.48Å; V129-A165 WeakPolarHBondContact O-CA 3.4Å; V129-K166 PolarHBondContact N-O 3.23Å; V129-K166 PolarHBondContact O-N 3.33Å
130	L	87.3	Confident	78.1	Confident	10 Å²	10	56 Å²	56	5%	0.052	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	147.9	-179.4	-62.6	179.6	0	0	0	112.4	I128 F137 L140 K142 E144 A165 M199	I128-L130 HydrophobicContact CD1-CD2 3.55Å; I128-L130 HydrophobicContact CD1-CG 4.28Å; I128-L130 HydrophobicContact CG1-CD2 4.25Å; I128-L130 HydrophobicContact CG1-CG 4.48Å; L130-F137 HydrophobicContact CB-CD2 4.43Å; L130-F137 HydrophobicContact CB-CG 4.49Å; L130-F137 HydrophobicContact CD1-CD1 4.18Å; L130-F137 HydrophobicContact CD1-CG 4.33Å; L130-F137 HydrophobicContact CD2-CD1 4.26Å; L130-F137 HydrophobicContact CD2-CD2 4.13Å; L130-F137 HydrophobicContact CD2-CE1 4.07Å; L130-F137 HydrophobicContact CD2-CE2 3.92Å; L130-F137 HydrophobicContact CD2-CG 4.3Å; L130-F137 HydrophobicContact CD2-CZ 3.89Å; L130-L140 HydrophobicContact CD1-CB 4.43Å; L130-L140 HydrophobicContact CD1-CD1 4.07Å; L130-K142 PolarHBondContact N-O 3.09Å; L130-E144 HydrophobicContact CD1-CB 3.94Å; L130-E144 HydrophobicContact CD1-CG 3.59Å; L130-A165 HydrophobicContact CD2-CB 3.58Å; L130-M199 HydrophobicContact CD1-CE 3.88Å
131	D	87	Confident	79.3	Confident	41 Å²	41	58.6 Å²	58.6	22%	0.219	31%	0.314	C	S	.	.			trans	-94.1	100	168.8	-173.3	-7.2	0	0	0	110.6	T133 C134 K162 V164	D131-T133 PolarHBondContact O-N 3.37Å; D131-T133 WeakPolarHBondContact OD1-CB 3.31Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.46Å; D131-T133 PolarHBondContact OD1-N 3.2Å; D131-T133 PolarHBondContact OD1-OG1 3.37Å; D131-T133 PolarHBondContact OD2-OG1 2.87Å; D131-C134 VanDerWaalsContact O-CB 3.28Å; D131-C134 WeakPolarHBondContact O-CB 3.34Å; D131-C134 PolarHBondContact O-N 3.32Å; D131-C134 VanDerWaalsContact O-N 3.08Å; D131-K162 WeakPolarHBondContact OD2-CE 3.15Å; D131-K162 IonicContact OD2-NZ 2.67Å; D131-K162 PolarHBondContact OD2-NZ 3.06Å; D131-V164 HydrophobicContact CB-CB 4.32Å; D131-V164 WeakPolarHBondContact CB-O 3.35Å; D131-V164 PolarHBondContact N-O 2.84Å
132	N	83.1	Confident	80.6	Confident	60 Å²	60	58.6 Å²	58.6	32%	0.321	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-7.9	179.9	-66.9	14.4	0	0	0	114.2	C134 L140	N132-C134 VanDerWaalsContact C-N 3.28Å; N132-L140 PolarHBondContact ND2-O 3.03Å
133	T	83	Confident	81.8	Confident	108 Å²	108	62.6 Å²	62.6	66%	0.663	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.1	173.4	66.5	0	0	0	0	112.7	D131 K162	D131-T133 PolarHBondContact O-N 3.37Å; D131-T133 WeakPolarHBondContact OD1-CB 3.31Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.46Å; D131-T133 PolarHBondContact OD1-N 3.2Å; D131-T133 PolarHBondContact OD1-OG1 3.37Å; D131-T133 PolarHBondContact OD2-OG1 2.87Å; T133-K162 PolarHBondContact OG1-NZ 3.15Å
134	C	86.8	Confident	82.7	Confident	4 Å²	4	59.3 Å²	59.3	3%	0.027	32%	0.319	C	S	.	.	S	Bend	trans	-70.7	137.5	176	-177.4	0	0	0	0	111	D131 N132 L136 F137 R138 V164	D131-C134 VanDerWaalsContact O-CB 3.28Å; D131-C134 WeakPolarHBondContact O-CB 3.34Å; D131-C134 PolarHBondContact O-N 3.32Å; D131-C134 VanDerWaalsContact O-N 3.08Å; N132-C134 VanDerWaalsContact C-N 3.28Å; C134-L136 PolarHBondContact O-N 2.95Å; C134-L136 VanDerWaalsContact O-N 3.12Å; C134-F137 HydrophobicContact CB-CD2 3.99Å; C134-F137 PolarHBondContact O-N 3.25Å; C134-F137 VanDerWaalsContact O-N 3.11Å; C134-R138 PolarHBondContact O-N 3.11Å; C134-V164 HydrophobicContact CB-CB 4.04Å; C134-V164 HydrophobicContact CB-CG1 3.8Å
135	S	86.3	Confident	83.5	Confident	42 Å²	42	61.6 Å²	61.6	29%	0.294	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-57.7	-28	177	-60.8	0	0	0	0	112.8	E177	S135-E177 WeakPolarHBondContact CB-OE2 3.41Å; S135-E177 PolarHBondContact N-OE1 3.26Å; S135-E177 PolarHBondContact OG-OE1 3.08Å; S135-E177 PolarHBondContact OG-OE2 3.02Å
136	L	86.7	Confident	83.9	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-73	-33.7	179.1	-171.2	66	0	0	0	113.3	L98 C134 Y182 T184 M199 N202 F203 I207	L98-L136 HydrophobicContact CD1-CD2 4.2Å; C134-L136 PolarHBondContact O-N 2.95Å; C134-L136 VanDerWaalsContact O-N 3.12Å; L136-Y182 HydrophobicContact CB-CD1 4.02Å; L136-Y182 HydrophobicContact CB-CE1 4.4Å; L136-T184 HydrophobicContact CD2-CG2 3.86Å; L136-M199 WeakPolarHBondContact CD1-O 3.21Å; L136-N202 WeakPolarHBondContact O-CB 3.46Å; L136-N202 PolarHBondContact O-ND2 2.92Å; L136-F203 HydrophobicContact CD1-CB 3.84Å; L136-I207 HydrophobicContact CB-CD1 4.45Å; L136-I207 HydrophobicContact CD1-CD1 4.36Å
137	F	86.6	Confident	84	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-106.4	17.9	-171.7	-56.3	-47.5	0	0	0	113.6	L130 C134 G139 L140 V164 A165 T184 F186 M199	L130-F137 HydrophobicContact CB-CD2 4.43Å; L130-F137 HydrophobicContact CB-CG 4.49Å; L130-F137 HydrophobicContact CD1-CD1 4.18Å; L130-F137 HydrophobicContact CD1-CG 4.33Å; L130-F137 HydrophobicContact CD2-CD1 4.26Å; L130-F137 HydrophobicContact CD2-CD2 4.13Å; L130-F137 HydrophobicContact CD2-CE1 4.07Å; L130-F137 HydrophobicContact CD2-CE2 3.92Å; L130-F137 HydrophobicContact CD2-CG 4.3Å; L130-F137 HydrophobicContact CD2-CZ 3.89Å; C134-F137 HydrophobicContact CB-CD2 3.99Å; C134-F137 PolarHBondContact O-N 3.25Å; C134-F137 VanDerWaalsContact O-N 3.11Å; F137-G139 PolarHBondContact O-N 3.4Å; F137-L140 HydrophobicContact CB-CD1 4.2Å; F137-L140 HydrophobicContact CD1-CD1 3.97Å; F137-L140 PolarHBondContact O-N 3.06Å; F137-V164 HydrophobicContact CD2-CB 4.32Å; F137-V164 HydrophobicContact CE2-CB 3.95Å; F137-V164 HydrophobicContact CE2-CG2 3.73Å; F137-V164 WeakPolarHBondContact CE2-O 3.18Å; F137-A165 HydrophobicContact CE2-CB 4.14Å; F137-A165 HydrophobicContact CZ-CB 4.28Å; F137-T184 HydrophobicContact CZ-CG2 4.22Å; F137-F186 HydrophobicContact CE1-CZ 4.03Å; F137-F186 HydrophobicContact CZ-CZ 4.14Å; F137-M199 HydrophobicContact CD1-CE 4.16Å; F137-M199 HydrophobicContact CD1-CG 4.13Å; F137-M199 HydrophobicContact CD1-SD 4.25Å; F137-M199 HydrophobicContact CE1-CE 4.11Å; F137-M199 HydrophobicContact CE1-CG 4.26Å; F137-M199 HydrophobicContact CE1-SD 3.9Å
138	R	84.5	Confident	83.4	Confident	158 Å²	158	52 Å²	52	60%	0.596	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	129.1	178.9	-163.8	179.1	-171.4	173.3	1.8	110.7	C134 N202 E206	C134-R138 PolarHBondContact O-N 3.11Å; R138-N202 PolarHBondContact O-ND2 2.93Å; R138-E206 WeakPolarHBondContact CD-OE2 3.32Å; R138-E206 IonicContact NH1-OE2 3.66Å
139	G	80.4	Confident	82.2	Confident	63 Å²	63	53.2 Å²	53.2	65%	0.649	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	2.1	178.9	0	0	0	0	0	115.5	F137	F137-G139 PolarHBondContact O-N 3.4Å
140	L	83.7	Confident	81.2	Confident	8 Å²	8	49.5 Å²	49.5	4%	0.042	26%	0.26	C	S	.	.			trans	-92.8	163.3	177.1	-61.1	-179	0	0	0	112.9	L130 N132 F137 R195 E198 M199	L130-L140 HydrophobicContact CD1-CB 4.43Å; L130-L140 HydrophobicContact CD1-CD1 4.07Å; N132-L140 PolarHBondContact ND2-O 3.03Å; F137-L140 HydrophobicContact CB-CD1 4.2Å; F137-L140 HydrophobicContact CD1-CD1 3.97Å; F137-L140 PolarHBondContact O-N 3.06Å; L140-R195 HydrophobicContact CD2-CB 3.62Å; L140-R195 HydrophobicContact CD2-CG 4.18Å; L140-E198 HydrophobicContact CD2-CB 4.08Å; L140-E198 VanDerWaalsContact CD2-OE2 3.29Å; L140-E198 WeakPolarHBondContact CD2-OE2 3.44Å; L140-M199 HydrophobicContact CD1-CE 3.5Å; L140-M199 VanDerWaalsContact CD1-CE 3.5Å; L140-M199 HydrophobicContact CD1-CG 3.57Å; L140-M199 HydrophobicContact CD1-SD 4.37Å
141	Q	83.9	Confident	79.7	Confident	141 Å²	141	49.8 Å²	49.8	66%	0.659	27%	0.266	S	S	*	.			trans	-75.4	160.7	170.9	-57.5	-168	4.9	0	0	110.3	E143 E144	Q141-E143 PolarHBondContact O-N 3.42Å; Q141-E144 WeakPolarHBondContact CB-OE1 3.36Å; Q141-E144 PolarHBondContact N-OE1 2.99Å
142	K	83.7	Confident	78.8	Confident	152 Å²	152	48.4 Å²	48.4	66%	0.661	26%	0.258	S	S	*	.	S	Bend	trans	-67.5	-25.4	177.9	-74.7	-176	177.8	179.3	0	112.5	V129 L130	V129-K142 CarbonylContact C-O 3.6Å; V129-K142 VanDerWaalsContact CA-O 3.27Å; V129-K142 WeakPolarHBondContact CA-O 3.46Å; L130-K142 PolarHBondContact N-O 3.09Å
143	E	84.9	Confident	78.2	Confident	117 Å²	117	45.7 Å²	45.7	55%	0.547	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.1	178.6	-73.5	-176	-160.5	0	0	108.2	N127 I128 V129 Q141	N127-E143 PolarHBondContact ND2-OE2 2.82Å; I128-E143 VanDerWaalsContact O-CA 3.3Å; I128-E143 WeakPolarHBondContact O-CA 3.19Å; V129-E143 HydrophobicContact CG2-CG 4.48Å; Q141-E143 PolarHBondContact O-N 3.42Å
144	E	81.9	Confident	78	Confident	11 Å²	11	40.8 Å²	40.8	5%	0.051	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145	-177.6	-69.8	-69.4	171.2	0	0	110.5	N127 I128 L130 Q141 R195	N127-E144 WeakPolarHBondContact CA-O 3.15Å; N127-E144 PolarHBondContact OD1-N 2.95Å; N127-E144 VanDerWaalsContact OD1-N 3.15Å; N127-E144 PolarHBondContact OD1-O 2.8Å; I128-E144 WeakPolarHBondContact CG1-O 3.41Å; I128-E144 PolarHBondContact N-O 3.49Å; I128-E144 PolarHBondContact O-N 2.79Å; I128-E144 VanDerWaalsContact O-N 3.11Å; L130-E144 HydrophobicContact CD1-CB 3.94Å; L130-E144 HydrophobicContact CD1-CG 3.59Å; Q141-E144 WeakPolarHBondContact CB-OE1 3.36Å; Q141-E144 PolarHBondContact N-OE1 2.99Å; E144-R195 WeakPolarHBondContact OE2-CG 3.31Å
145	L	80.9	Confident	77.7	Confident	69 Å²	69	44.9 Å²	44.9	36%	0.361	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	122	174.4	-74.3	164.7	0	0	0	110.1	V125 N127	V125-L145 HydrophobicContact CG1-CB 4.18Å; V125-L145 HydrophobicContact CG1-CD2 4.03Å; N127-L145 HydrophobicContact CB-CD2 4.19Å
146	V	81.3	Confident	77.6	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.3	-179.9	-53.9	0	0	0	0	111.7	V125 F126 I128 L148 F186 T193	V125-V146 WeakPolarHBondContact CA-O 3.47Å; F126-V146 PolarHBondContact N-O 3.34Å; F126-V146 PolarHBondContact O-N 2.61Å; I128-V146 HydrophobicContact CB-CG2 4.31Å; I128-V146 HydrophobicContact CD1-CB 4.33Å; I128-V146 HydrophobicContact CD1-CG1 3.67Å; I128-V146 HydrophobicContact CD1-CG2 3.66Å; I128-V146 HydrophobicContact CG1-CB 4.46Å; I128-V146 HydrophobicContact CG1-CG1 3.83Å; I128-V146 HydrophobicContact CG1-CG2 3.74Å; I128-V146 HydrophobicContact CG2-CG2 3.58Å; V146-L148 HydrophobicContact CG2-CD2 4.42Å; V146-L148 HydrophobicContact CG2-CG 4.22Å; V146-F186 HydrophobicContact CB-CB 3.89Å; V146-F186 HydrophobicContact CB-CD1 4.39Å; V146-F186 HydrophobicContact CB-CD2 3.92Å; V146-F186 HydrophobicContact CB-CG 3.82Å; V146-F186 HydrophobicContact CG1-CD1 4.43Å; V146-F186 HydrophobicContact CG1-CD2 3.92Å; V146-F186 HydrophobicContact CG1-CE2 4.07Å; V146-F186 HydrophobicContact CG1-CG 4.11Å; V146-F186 HydrophobicContact CG1-CZ 4.38Å; V146-F186 HydrophobicContact CG2-CB 3.76Å; V146-F186 HydrophobicContact CG2-CD1 4.04Å; V146-F186 HydrophobicContact CG2-CD2 4.43Å; V146-F186 HydrophobicContact CG2-CG 3.83Å; V146-T193 HydrophobicContact CB-CG2 4.16Å; V146-T193 HydrophobicContact CG1-CG2 3.88Å
147	L	76.6	Confident	77.5	Confident	21 Å²	21	49.1 Å²	49.1	11%	0.11	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.8	170.8	-178.2	70.6	0	0	0	111.1	V125 T149 F186 H187 V190 L192 T193	V125-L147 HydrophobicContact CG2-CD1 4.26Å; L147-T149 HydrophobicContact CD1-CG2 4.46Å; L147-T149 HydrophobicContact CD2-CG2 4.15Å; L147-T149 HydrophobicContact CG-CG2 4.08Å; L147-F186 VanDerWaalsContact O-CA 3.32Å; L147-F186 WeakPolarHBondContact O-CA 3.49Å; L147-F186 WeakPolarHBondContact O-CB 3.35Å; L147-H187 PolarHBondContact O-N 2.84Å; L147-V190 HydrophobicContact CB-CG2 3.87Å; L147-V190 HydrophobicContact CD2-CB 4.47Å; L147-V190 HydrophobicContact CD2-CG1 4.34Å; L147-V190 HydrophobicContact CD2-CG2 3.76Å; L147-V190 HydrophobicContact CG-CG2 4.46Å; L147-L192 HydrophobicContact CB-CB 4.28Å; L147-L192 HydrophobicContact CD1-CD1 4.04Å; L147-L192 HydrophobicContact CD2-CD1 4.2Å; L147-T193 PolarHBondContact N-OG1 3.28Å
148	L	70.9	Confident	77.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.2	171.2	-66.7	170.3	0	0	0	110.7	E122 D123 G124 F126 I128 V146 L172 F186	E122-L148 CarbonylContact O-C 3.56Å; D123-L148 WeakPolarHBondContact CA-O 3.01Å; G124-L148 PolarHBondContact N-O 3.02Å; G124-L148 PolarHBondContact O-N 2.75Å; F126-L148 HydrophobicContact CB-CD1 3.95Å; F126-L148 HydrophobicContact CD2-CB 4.08Å; F126-L148 HydrophobicContact CD2-CD1 3.79Å; F126-L148 HydrophobicContact CD2-CG 4.31Å; F126-L148 HydrophobicContact CG-CD1 4.14Å; I128-L148 HydrophobicContact CG2-CD1 4.42Å; V146-L148 HydrophobicContact CG2-CD2 4.42Å; V146-L148 HydrophobicContact CG2-CG 4.22Å; L148-L172 HydrophobicContact CD1-CD1 3.89Å; L148-L172 HydrophobicContact CD1-CD2 4.3Å; L148-L172 HydrophobicContact CD2-CD1 3.9Å; L148-L172 HydrophobicContact CD2-CD2 3.63Å; L148-L172 HydrophobicContact CD2-CG 4.33Å; L148-F186 HydrophobicContact CD2-CB 3.76Å
149	T	60.4	Low	77.4	Confident	27 Å²	27	47.7 Å²	47.7	17%	0.166	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	64	-178.2	48.8	0	0	0	0	109.5	L147 H187	L147-T149 HydrophobicContact CD1-CG2 4.46Å; L147-T149 HydrophobicContact CD2-CG2 4.15Å; L147-T149 HydrophobicContact CG-CG2 4.08Å; T149-H187 PolarHBondContact OG1-CD2 2.88Å; T149-H187 PolarHBondContact OG1-NE2 3.26Å
150	H	64.9	Low	77.5	Confident	3 Å²	3	47.6 Å²	47.6	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.1	-175.9	68.1	66.2	0	0	0	114.5	F170 Q185	H150-F170 AromaticContact CE1-CD1 3.81Å; H150-F170 AromaticContact CE1-CE1 3.9Å; H150-F170 AromaticContact CE1-CG 3.89Å; H150-Q185 HydrophobicContact CB-CG 4.19Å; H150-Q185 VanDerWaalsContact CD2-CG 3.45Å; H150-Q185 WeakPolarHBondContact CD2-CG 3.2Å
151	G	57.1	Low	77.7	Confident	17 Å²	17	48.2 Å²	48.2	18%	0.175	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-26.5	164.9	0	0	0	0	0	113.6
152	D	66.3	Low	78	Confident	12 Å²	12	46.8 Å²	46.8	6%	0.064	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.5	-176.7	-72.9	0.7	0	0	0	110.3	S77 Q105 V115 K117	S77-D152 WeakPolarHBondContact CB-OD2 3.45Å; S77-D152 PolarHBondContact OG-OD2 2.94Å; Q105-D152 PolarHBondContact NE2-O 3.2Å; V115-D152 HydrophobicContact CG1-CB 3.89Å; K117-D152 WeakPolarHBondContact CA-OD1 3.47Å; K117-D152 WeakPolarHBondContact CB-OD1 3.24Å; K117-D152 WeakPolarHBondContact CD-OD1 3.41Å; K117-D152 WeakPolarHBondContact CG-OD1 3.17Å
153	S	71.9	Confident	78.3	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.6	-176.3	66.4	0	0	0	0	112.6	V115 H116 K118 D155 F170	V115-S153 WeakPolarHBondContact CA-O 3.1Å; V115-S153 WeakPolarHBondContact CG1-O 3.34Å; H116-S153 PolarHBondContact N-O 2.88Å; H116-S153 PolarHBondContact O-N 3.45Å; H116-S153 PolarHBondContact O-OG 2.76Å; K118-S153 WeakPolarHBondContact CD-OG 3.33Å; S153-D155 PolarHBondContact O-N 3.04Å; S153-F170 VanDerWaalsContact CB-CD1 3.49Å
154	V	78.3	Confident	78.5	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	119.9	174.5	174.9	0	0	0	0	109.5	M104 N108 V115 V157	M104-V154 HydrophobicContact CE-CB 4.26Å; M104-V154 HydrophobicContact CE-CG2 3.77Å; N108-V154 HydrophobicContact CB-CG2 4.33Å; N108-V154 VanDerWaalsContact ND2-CG1 3.34Å; N108-V154 WeakPolarHBondContact ND2-CG1 3.33Å; V115-V154 HydrophobicContact CG2-CG2 4.36Å; V154-V157 HydrophobicContact CG1-CG2 4.15Å
155	D	80.7	Confident	78.8	Confident	90 Å²	90	35.4 Å²	35.4	48%	0.481	20%	0.2	S	C	.	.			trans	-97.5	-71	177.9	-172.3	38.4	0	0	0	110	T114 H116 S153 V157	T114-D155 PolarHBondContact O-N 2.83Å; T114-D155 VanDerWaalsContact O-N 3.1Å; H116-D155 IonicContact CD2-OD2 3.75Å; H116-D155 PolarHBondContact CD2-OD2 3.03Å; H116-D155 IonicContact NE2-OD2 2.69Å; S153-D155 PolarHBondContact O-N 3.04Å; D155-V157 PolarHBondContact O-N 3.12Å
156	K	83.3	Confident	79	Confident	109 Å²	109	37.3 Å²	37.3	47%	0.474	21%	0.206	S	C	.	.	S	Bend	trans	-83.3	114.1	170.3	-165.8	-174.8	175.7	-165.5	0	109.9	N108 G113 T114	N108-K156 PolarHBondContact ND2-O 3.21Å; N108-K156 VanDerWaalsContact ND2-O 3.07Å; G113-K156 CarbonylContact C-O 3.55Å; G113-K156 WeakPolarHBondContact CA-O 3.49Å; T114-K156 HydrophobicContact CG2-CB 4.39Å; T114-K156 PolarHBondContact N-O 3.16Å; T114-K156 WeakPolarHBondContact OG1-CB 3.32Å; T114-K156 PolarHBondContact OG1-N 3.33Å
157	V	85.6	Confident	78.8	Confident	27 Å²	27	38 Å²	38	16%	0.164	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-71.2	137	171.7	179.1	0	0	0	0	109.2	V154 D155 F161 V163 I174	V154-V157 HydrophobicContact CG1-CG2 4.15Å; D155-V157 PolarHBondContact O-N 3.12Å; V157-F161 HydrophobicContact CG1-CB 3.69Å; V157-V163 HydrophobicContact CG2-CG2 3.59Å; V157-I174 HydrophobicContact CG1-CG2 3.89Å; V157-I174 HydrophobicContact CG2-CG2 4.26Å
158	A	85.3	Confident	78.5	Confident	4 Å²	4	43.5 Å²	43.5	3%	0.033	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-58.8	150.2	179.4	0	0	0	0	0	113.2	N108 F111 G160 F161	N108-A158 WeakPolarHBondContact OD1-CB 3.31Å; N108-A158 PolarHBondContact OD1-N 3.09Å; F111-A158 HydrophobicContact CB-CB 3.51Å; F111-A158 WeakPolarHBondContact O-CB 3.35Å; A158-G160 PolarHBondContact O-N 3.02Å; A158-F161 HydrophobicContact CB-CD2 3.7Å; A158-F161 HydrophobicContact CB-CE2 4.19Å; A158-F161 HydrophobicContact CB-CG 4.45Å; A158-F161 WeakPolarHBondContact O-CB 3.35Å; A158-F161 PolarHBondContact O-N 3.3Å; A158-F161 VanDerWaalsContact O-N 3.11Å
159	D	82.9	Confident	78.4	Confident	123 Å²	123	46 Å²	46	66%	0.658	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	128.5	-177.6	-66.7	-37.8	0	0	0	110.8
160	G	83.1	Confident	79	Confident	62 Å²	62	45.3 Å²	45.3	64%	0.639	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	3.3	-176.1	0	0	0	0	0	115.3	A158 N176	A158-G160 PolarHBondContact O-N 3.02Å; G160-N176 PolarHBondContact O-ND2 3.12Å
161	F	87.8	Confident	79.7	Confident	20 Å²	20	47.2 Å²	47.2	9%	0.088	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-100.4	140.8	170.2	-72.7	-100.4	0	0	0	111.5	M107 F111 V157 A158 I174 A175 N176 L181	M107-F161 HydrophobicContact CG-CE1 4.15Å; M107-F161 HydrophobicContact CG-CZ 4.02Å; M107-F161 HydrophobicContact SD-CE1 3.62Å; M107-F161 HydrophobicContact SD-CZ 4.04Å; F111-F161 HydrophobicContact CB-CE2 3.91Å; F111-F161 HydrophobicContact CD1-CE2 4.43Å; F111-F161 AromaticContact CD2-CE2 3.51Å; F111-F161 HydrophobicContact CD2-CE2 3.51Å; F111-F161 AromaticContact CD2-CZ 3.64Å; F111-F161 HydrophobicContact CD2-CZ 3.64Å; F111-F161 HydrophobicContact CE2-CE2 4.14Å; F111-F161 AromaticContact CE2-CZ 3.92Å; F111-F161 HydrophobicContact CE2-CZ 3.92Å; F111-F161 AromaticContact CG-CE2 3.7Å; F111-F161 HydrophobicContact CG-CE2 3.7Å; F111-F161 HydrophobicContact CG-CZ 4.29Å; V157-F161 HydrophobicContact CG1-CB 3.69Å; A158-F161 HydrophobicContact CB-CD2 3.7Å; A158-F161 HydrophobicContact CB-CE2 4.19Å; A158-F161 HydrophobicContact CB-CG 4.45Å; A158-F161 WeakPolarHBondContact O-CB 3.35Å; A158-F161 PolarHBondContact O-N 3.3Å; A158-F161 VanDerWaalsContact O-N 3.11Å; F161-I174 HydrophobicContact CB-CB 4.39Å; F161-I174 HydrophobicContact CD1-CB 4.2Å; F161-I174 HydrophobicContact CD1-CD1 4.18Å; F161-I174 HydrophobicContact CD1-CG1 4.26Å; F161-A175 WeakPolarHBondContact CA-O 3.43Å; F161-N176 HydrophobicContact CD1-CB 3.74Å; F161-N176 HydrophobicContact CD2-CB 4.43Å; F161-N176 HydrophobicContact CE1-CB 3.62Å; F161-N176 HydrophobicContact CE2-CB 4.33Å; F161-N176 HydrophobicContact CG-CB 4.16Å; F161-N176 HydrophobicContact CZ-CB 3.94Å; F161-L181 HydrophobicContact CE1-CB 3.89Å; F161-L181 HydrophobicContact CZ-CB 4.07Å; F161-L181 HydrophobicContact CZ-CD1 3.92Å
162	K	90.3	Very high	80.8	Confident	112 Å²	112	46.4 Å²	46.4	49%	0.487	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	140.9	172	-169.6	-170.3	-177.9	-161.7	0	109.3	D131 T133 V164 I174 A175	D131-K162 WeakPolarHBondContact OD2-CE 3.15Å; D131-K162 IonicContact OD2-NZ 2.67Å; D131-K162 PolarHBondContact OD2-NZ 3.06Å; T133-K162 PolarHBondContact OG1-NZ 3.15Å; K162-V164 PolarHBondContact O-N 3.22Å; K162-I174 CarbonylContact O-C 3.55Å; K162-I174 WeakPolarHBondContact O-CA 3.41Å; K162-A175 PolarHBondContact N-O 3.36Å; K162-A175 PolarHBondContact O-N 2.82Å
163	V	90.6	Very high	81.8	Confident	34 Å²	34	45.9 Å²	45.9	21%	0.206	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	122.4	169.7	-175.7	0	0	0	0	109.2	V157 K166 N171 G173	V157-V163 HydrophobicContact CG2-CG2 3.59Å; V163-K166 HydrophobicContact CG1-CD 4.19Å; V163-K166 VanDerWaalsContact CG1-CE 3.42Å; V163-K166 HydrophobicContact CG1-CG 3.65Å; V163-N171 HydrophobicContact CG1-CB 4.21Å; V163-G173 WeakPolarHBondContact CA-O 3.19Å
164	V	88.8	Confident	82.8	Confident	6 Å²	6	45.7 Å²	45.7	4%	0.036	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-7.7	-174.3	-68.4	0	0	0	0	113.8	D131 C134 F137 K162 G173 A175	D131-V164 HydrophobicContact CB-CB 4.32Å; D131-V164 WeakPolarHBondContact CB-O 3.35Å; D131-V164 PolarHBondContact N-O 2.84Å; C134-V164 HydrophobicContact CB-CB 4.04Å; C134-V164 HydrophobicContact CB-CG1 3.8Å; F137-V164 HydrophobicContact CD2-CB 4.32Å; F137-V164 HydrophobicContact CE2-CB 3.95Å; F137-V164 HydrophobicContact CE2-CG2 3.73Å; F137-V164 WeakPolarHBondContact CE2-O 3.18Å; K162-V164 PolarHBondContact O-N 3.22Å; V164-G173 PolarHBondContact N-O 3.3Å; V164-A175 HydrophobicContact CB-CB 4.41Å; V164-A175 HydrophobicContact CG1-CB 3.68Å; V164-A175 HydrophobicContact CG2-CB 3.85Å
165	A	87	Confident	83.5	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	138.9	171.5	0	0	0	0	0	110.6	I128 V129 L130 F137 L172 G173 F186	I128-A165 HydrophobicContact CD1-CB 4.34Å; V129-A165 WeakPolarHBondContact O-CA 3.4Å; L130-A165 HydrophobicContact CD2-CB 3.58Å; F137-A165 HydrophobicContact CE2-CB 4.14Å; F137-A165 HydrophobicContact CZ-CB 4.28Å; A165-L172 HydrophobicContact CB-CB 4.17Å; A165-L172 PolarHBondContact O-N 2.86Å; A165-G173 PolarHBondContact N-O 3.45Å; A165-G173 PolarHBondContact O-N 3.39Å; A165-G173 VanDerWaalsContact O-N 3.16Å; A165-F186 HydrophobicContact CB-CE1 4.32Å
166	K	86.4	Confident	84	Confident	109 Å²	109	42 Å²	42	47%	0.474	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	140.8	-177.9	-65.7	-175.3	177.8	-179.4	0	112.2	V129 V163	V129-K166 PolarHBondContact N-O 3.23Å; V129-K166 PolarHBondContact O-N 3.33Å; V163-K166 HydrophobicContact CG1-CD 4.19Å; V163-K166 VanDerWaalsContact CG1-CE 3.42Å; V163-K166 HydrophobicContact CG1-CG 3.65Å
167	S	77.7	Confident	84.2	Confident	14 Å²	14	40.7 Å²	40.7	10%	0.098	24%	0.237	C	C	.	.			trans	-101.6	160.5	161.1	149.3	0	0	0	0	108.5	A169 F170	S167-A169 PolarHBondContact O-N 3.22Å; S167-F170 PolarHBondContact N-O 3.13Å; S167-F170 PolarHBondContact O-N 3.21Å
168	P	70.3	Confident	84.3	Confident	136 Å²	136	48.4 Å²	48.4	88%	0.883	27%	0.271	S	S	*	.	S	Bend	trans	-46.3	-30.4	176.2	-31	35.9	0	0	0	115.1
169	A	67.3	Low	84.4	Confident	53 Å²	53	53.3 Å²	53.3	44%	0.438	29%	0.292	S	S	.	.	S	Bend	trans	-115.5	-9.5	-177.3	0	0	0	0	0	115.3	K118 S167	K118-A169 PolarHBondContact NZ-O 2.92Å; S167-A169 PolarHBondContact O-N 3.22Å
170	F	73.3	Confident	84.8	Confident	13 Å²	13	51.9 Å²	51.9	6%	0.057	28%	0.28	C	S	.	.			trans	-142.2	143.8	-166.5	-59.7	-84.3	0	0	0	113.9	K118 E122 H150 S153 S167 L172	K118-F170 HydrophobicContact CB-CE1 4.22Å; K118-F170 HydrophobicContact CD-CD1 4.06Å; K118-F170 HydrophobicContact CD-CE1 3.41Å; K118-F170 VanDerWaalsContact CD-CE1 3.41Å; K118-F170 HydrophobicContact CD-CZ 4.13Å; K118-F170 HydrophobicContact CG-CE1 4.38Å; E122-F170 HydrophobicContact CG-CE2 3.89Å; E122-F170 WeakPolarHBondContact OE1-CE2 3.35Å; E122-F170 VanDerWaalsContact OE2-CD2 3.31Å; E122-F170 WeakPolarHBondContact OE2-CD2 3.48Å; E122-F170 WeakPolarHBondContact OE2-CE2 3.31Å; H150-F170 AromaticContact CE1-CD1 3.81Å; H150-F170 AromaticContact CE1-CE1 3.9Å; H150-F170 AromaticContact CE1-CG 3.89Å; S153-F170 VanDerWaalsContact CB-CD1 3.49Å; S167-F170 PolarHBondContact N-O 3.13Å; S167-F170 PolarHBondContact O-N 3.21Å; F170-L172 HydrophobicContact CB-CD2 3.85Å; F170-L172 HydrophobicContact CB-CG 4.4Å
171	N	80.4	Confident	85.3	Confident	43 Å²	43	49 Å²	49	23%	0.23	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	117.8	166	-64.8	-45.5	0	0	0	108.5	V163	V163-N171 HydrophobicContact CG1-CB 4.21Å
172	L	80.9	Confident	85.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-7.7	-169.5	-63.3	-177.8	0	0	0	114	I128 L148 A165 F170 Q185 F186	I128-L172 HydrophobicContact CB-CD1 4Å; I128-L172 HydrophobicContact CD1-CD1 4.42Å; I128-L172 HydrophobicContact CG2-CD1 3.3Å; L148-L172 HydrophobicContact CD1-CD1 3.89Å; L148-L172 HydrophobicContact CD1-CD2 4.3Å; L148-L172 HydrophobicContact CD2-CD1 3.9Å; L148-L172 HydrophobicContact CD2-CD2 3.63Å; L148-L172 HydrophobicContact CD2-CG 4.33Å; A165-L172 HydrophobicContact CB-CB 4.17Å; A165-L172 PolarHBondContact O-N 2.86Å; F170-L172 HydrophobicContact CB-CD2 3.85Å; F170-L172 HydrophobicContact CB-CG 4.4Å; L172-Q185 HydrophobicContact CB-CB 4.36Å; L172-Q185 HydrophobicContact CD2-CB 4.03Å; L172-Q185 HydrophobicContact CD2-CG 4.19Å; L172-Q185 WeakPolarHBondContact O-CB 3.44Å; L172-Q185 PolarHBondContact O-N 2.91Å; L172-F186 HydrophobicContact CB-CD1 4.5Å
173	G	87.3	Confident	85.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	141	177.3	0	0	0	0	0	112.9	V163 V164 A165 G183	V163-G173 WeakPolarHBondContact CA-O 3.19Å; V164-G173 PolarHBondContact N-O 3.3Å; A165-G173 PolarHBondContact N-O 3.45Å; A165-G173 PolarHBondContact O-N 3.39Å; A165-G173 VanDerWaalsContact O-N 3.16Å; G173-G183 CarbonylContact C-O 3.56Å; G173-G183 WeakPolarHBondContact CA-O 3.39Å
174	I	91.3	Very high	85.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.1	178.8	58.5	174.9	0	0	0	109.6	M104 N108 V157 F161 K162 G183	M104-I174 HydrophobicContact CE-CD1 4.44Å; M104-I174 HydrophobicContact CE-CG1 4.1Å; M104-I174 HydrophobicContact CE-CG2 3.95Å; M104-I174 HydrophobicContact CG-CD1 3.99Å; M104-I174 HydrophobicContact CG-CG1 4Å; M104-I174 HydrophobicContact SD-CG1 4.26Å; N108-I174 HydrophobicContact CB-CD1 4.04Å; V157-I174 HydrophobicContact CG1-CG2 3.89Å; V157-I174 HydrophobicContact CG2-CG2 4.26Å; F161-I174 HydrophobicContact CB-CB 4.39Å; F161-I174 HydrophobicContact CD1-CB 4.2Å; F161-I174 HydrophobicContact CD1-CD1 4.18Å; F161-I174 HydrophobicContact CD1-CG1 4.26Å; K162-I174 CarbonylContact O-C 3.55Å; K162-I174 WeakPolarHBondContact O-CA 3.41Å; I174-G183 PolarHBondContact N-O 2.71Å; I174-G183 PolarHBondContact O-N 2.97Å
175	A	93	Very high	85.4	Confident	4 Å²	4	41.1 Å²	41.1	3%	0.033	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	142.4	177.7	0	0	0	0	0	111.8	F161 K162 V164 L181 Y182	F161-A175 WeakPolarHBondContact CA-O 3.43Å; K162-A175 PolarHBondContact N-O 3.36Å; K162-A175 PolarHBondContact O-N 2.82Å; V164-A175 HydrophobicContact CB-CB 4.41Å; V164-A175 HydrophobicContact CG1-CB 3.68Å; V164-A175 HydrophobicContact CG2-CB 3.85Å; A175-L181 CarbonylContact C-O 3.55Å; A175-L181 WeakPolarHBondContact CA-O 3.33Å; A175-Y182 HydrophobicContact CB-CD1 3.68Å; A175-Y182 HydrophobicContact CB-CE1 4.02Å
176	N	92.3	Very high	85.2	Confident	12 Å²	12	41.1 Å²	41.1	6%	0.064	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	99.1	166.8	-175.9	-31.8	0	0	0	108.3	G160 F161 Q178 K179 K180 L181	G160-N176 PolarHBondContact O-ND2 3.12Å; F161-N176 HydrophobicContact CD1-CB 3.74Å; F161-N176 HydrophobicContact CD2-CB 4.43Å; F161-N176 HydrophobicContact CE1-CB 3.62Å; F161-N176 HydrophobicContact CE2-CB 4.33Å; F161-N176 HydrophobicContact CG-CB 4.16Å; F161-N176 HydrophobicContact CZ-CB 3.94Å; N176-Q178 VanDerWaalsContact C-N 3.29Å; N176-Q178 PolarHBondContact O-N 2.71Å; N176-Q178 PolarHBondContact OD1-N 3.06Å; N176-Q178 VanDerWaalsContact OD1-N 3.15Å; N176-K179 PolarHBondContact O-N 3.16Å; N176-K179 PolarHBondContact OD1-N 3.1Å; N176-K179 VanDerWaalsContact OD1-N 3.11Å; N176-K180 WeakPolarHBondContact O-CA 3.26Å; N176-K180 PolarHBondContact O-N 3.02Å; N176-L181 HydrophobicContact CB-CB 4.35Å; N176-L181 PolarHBondContact N-O 3.45Å; N176-L181 PolarHBondContact O-N 3.48Å
177	E	87.7	Confident	85.1	Confident	82 Å²	82	36 Å²	36	38%	0.383	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.8	-177.5	-65.7	-71.3	164.9	0	0	112.4	S135 K180 Y182	S135-E177 WeakPolarHBondContact CB-OE2 3.41Å; S135-E177 PolarHBondContact N-OE1 3.26Å; S135-E177 PolarHBondContact OG-OE1 3.08Å; S135-E177 PolarHBondContact OG-OE2 3.02Å; E177-K180 PolarHBondContact O-N 3.14Å; E177-Y182 PolarHBondContact OE2-OH 2.91Å
178	Q	87.3	Confident	85.5	Confident	189 Å²	189	35.5 Å²	35.5	88%	0.883	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-41.9	-179.4	-65.7	-177.9	-6.8	0	0	112	N176	N176-Q178 VanDerWaalsContact C-N 3.29Å; N176-Q178 PolarHBondContact O-N 2.71Å; N176-Q178 PolarHBondContact OD1-N 3.06Å; N176-Q178 VanDerWaalsContact OD1-N 3.15Å
179	K	86.6	Confident	86.1	Confident	107 Å²	107	29 Å²	29	47%	0.465	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-2.1	179.2	-64.9	-174.4	179	178.9	0	113.3	N176 L181	N176-K179 PolarHBondContact O-N 3.16Å; N176-K179 PolarHBondContact OD1-N 3.1Å; N176-K179 VanDerWaalsContact OD1-N 3.11Å; K179-L181 VanDerWaalsContact C-N 3.29Å; K179-L181 HydrophobicContact CB-CD1 3.8Å; K179-L181 HydrophobicContact CB-CG 3.78Å; K179-L181 HydrophobicContact CD-CD1 4.16Å; K179-L181 PolarHBondContact O-N 3.14Å
180	K	91.5	Very high	86.7	Confident	93 Å²	93	27.6 Å²	27.6	40%	0.404	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	43.6	-173.8	-59.8	-177.4	171.3	-167.2	0	112.9	P96 V97 N176 E177 Y182 I207	P96-K180 VanDerWaalsContact CA-O 3.31Å; P96-K180 WeakPolarHBondContact CA-O 3.19Å; P96-K180 HydrophobicContact CB-CB 3.98Å; P96-K180 HydrophobicContact CG-CB 4.09Å; P96-K180 HydrophobicContact CG-CD 3.88Å; V97-K180 PolarHBondContact N-O 3.23Å; V97-K180 VanDerWaalsContact N-O 3.17Å; N176-K180 WeakPolarHBondContact O-CA 3.26Å; N176-K180 PolarHBondContact O-N 3.02Å; E177-K180 PolarHBondContact O-N 3.14Å; K180-Y182 VanDerWaalsContact C-CE2 3.43Å; K180-Y182 HydrophobicContact CB-CE2 4.13Å; K180-Y182 WeakPolarHBondContact O-CE2 3.29Å; K180-I207 HydrophobicContact CB-CG2 4.1Å; K180-I207 HydrophobicContact CD-CG2 4.24Å; K180-I207 HydrophobicContact CG-CG2 4.45Å; K180-I207 PolarHBondContact NZ-O 2.68Å
181	L	92.8	Very high	86.7	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.5	178.3	-57.5	174.8	0	0	0	109.3	F91 V97 M107 F111 F161 A175 N176 K179	F91-L181 HydrophobicContact CD1-CD2 4.49Å; V97-L181 HydrophobicContact CB-CD2 3.6Å; V97-L181 HydrophobicContact CG2-CD2 3.58Å; M107-L181 HydrophobicContact CE-CB 4.13Å; M107-L181 HydrophobicContact SD-CB 3.85Å; F111-L181 HydrophobicContact CE2-CD1 3.58Å; F111-L181 HydrophobicContact CZ-CD1 3.66Å; F161-L181 HydrophobicContact CE1-CB 3.89Å; F161-L181 HydrophobicContact CZ-CB 4.07Å; F161-L181 HydrophobicContact CZ-CD1 3.92Å; A175-L181 CarbonylContact C-O 3.55Å; A175-L181 WeakPolarHBondContact CA-O 3.33Å; N176-L181 HydrophobicContact CB-CB 4.35Å; N176-L181 PolarHBondContact N-O 3.45Å; N176-L181 PolarHBondContact O-N 3.48Å; K179-L181 VanDerWaalsContact C-N 3.29Å; K179-L181 HydrophobicContact CB-CD1 3.8Å; K179-L181 HydrophobicContact CB-CG 3.78Å; K179-L181 HydrophobicContact CD-CD1 4.16Å; K179-L181 PolarHBondContact O-N 3.14Å
182	Y	93.4	Very high	86.5	Confident	3 Å²	3	35.2 Å²	35.2	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139	-176.4	-55.2	-90.2	0	0	0	110.1	V97 L98 G99 M107 L136 A175 E177 K180 F203 I207	V97-Y182 PolarHBondContact O-N 3.09Å; L98-Y182 CarbonylContact C-O 3.54Å; L98-Y182 VanDerWaalsContact CA-O 3.32Å; L98-Y182 WeakPolarHBondContact CA-O 3.31Å; G99-Y182 PolarHBondContact N-O 2.97Å; M107-Y182 VanDerWaalsContact CE-O 3.31Å; M107-Y182 WeakPolarHBondContact CE-O 3.39Å; L136-Y182 HydrophobicContact CB-CD1 4.02Å; L136-Y182 HydrophobicContact CB-CE1 4.4Å; A175-Y182 HydrophobicContact CB-CD1 3.68Å; A175-Y182 HydrophobicContact CB-CE1 4.02Å; E177-Y182 PolarHBondContact OE2-OH 2.91Å; K180-Y182 VanDerWaalsContact C-CE2 3.43Å; K180-Y182 HydrophobicContact CB-CE2 4.13Å; K180-Y182 WeakPolarHBondContact O-CE2 3.29Å; Y182-F203 HydrophobicContact CD2-CD2 4.24Å; Y182-F203 HydrophobicContact CD2-CE2 4.2Å; Y182-I207 HydrophobicContact CD2-CD1 4.02Å; Y182-I207 HydrophobicContact CD2-CG2 4.34Å; Y182-I207 HydrophobicContact CE1-CD1 4.08Å; Y182-I207 HydrophobicContact CE2-CB 4.41Å; Y182-I207 HydrophobicContact CE2-CD1 3.5Å; Y182-I207 VanDerWaalsContact CE2-CD1 3.5Å; Y182-I207 HydrophobicContact CE2-CG1 4.03Å; Y182-I207 HydrophobicContact CE2-CG2 3.56Å
183	G	91.9	Very high	86.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134	177.5	0	0	0	0	0	111.1	G99 M104 G173 I174	G99-G183 CarbonylContact O-C 3.6Å; G99-G183 VanDerWaalsContact O-CA 3.26Å; G99-G183 WeakPolarHBondContact O-CA 3.35Å; M104-G183 VanDerWaalsContact SD-C 3.53Å; G173-G183 CarbonylContact C-O 3.56Å; G173-G183 WeakPolarHBondContact CA-O 3.39Å; I174-G183 PolarHBondContact N-O 2.71Å; I174-G183 PolarHBondContact O-N 2.97Å
184	T	90	Very high	86.1	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.7	173.1	58	0	0	0	0	110.2	G99 I100 C101 L136 F137 F186	G99-T184 PolarHBondContact O-N 3.3Å; I100-T184 CarbonylContact C-O 3.52Å; I100-T184 WeakPolarHBondContact CA-O 3.5Å; C101-T184 PolarHBondContact N-O 2.83Å; L136-T184 HydrophobicContact CD2-CG2 3.86Å; F137-T184 HydrophobicContact CZ-CG2 4.22Å; T184-F186 HydrophobicContact CG2-CE1 4.16Å; T184-F186 HydrophobicContact CG2-CE2 4.25Å; T184-F186 HydrophobicContact CG2-CZ 3.81Å; T184-F186 PolarHBondContact OG1-O 2.85Å
185	Q	84.8	Confident	85.8	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.009	22%	0.221	C	C	.	.	S	Bend	trans	-85.6	-15.4	178.7	-165.1	61.4	72.6	0	0	112.3	C101 M104 H150 L172	C101-Q185 PolarHBondContact SG-NE2 3.2Å; M104-Q185 HydrophobicContact CE-CB 4.48Å; M104-Q185 HydrophobicContact SD-CB 4.01Å; M104-Q185 PolarHBondContact SD-N 2.92Å; M104-Q185 VanDerWaalsContact SD-N 3.44Å; H150-Q185 HydrophobicContact CB-CG 4.19Å; H150-Q185 VanDerWaalsContact CD2-CG 3.45Å; H150-Q185 WeakPolarHBondContact CD2-CG 3.2Å; L172-Q185 HydrophobicContact CB-CB 4.36Å; L172-Q185 HydrophobicContact CD2-CB 4.03Å; L172-Q185 HydrophobicContact CD2-CG 4.19Å; L172-Q185 WeakPolarHBondContact O-CB 3.44Å; L172-Q185 PolarHBondContact O-N 2.91Å
186	F	83.4	Confident	85.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-97.6	166.6	171.6	56.9	-92.6	0	0	0	111.4	I128 F137 V146 L147 L148 A165 L172 T184 P188 M199	I128-F186 HydrophobicContact CD1-CD1 3.82Å; I128-F186 HydrophobicContact CD1-CE1 3.52Å; I128-F186 HydrophobicContact CD1-CZ 4.17Å; F137-F186 HydrophobicContact CE1-CZ 4.03Å; F137-F186 HydrophobicContact CZ-CZ 4.14Å; V146-F186 HydrophobicContact CB-CB 3.89Å; V146-F186 HydrophobicContact CB-CD1 4.39Å; V146-F186 HydrophobicContact CB-CD2 3.92Å; V146-F186 HydrophobicContact CB-CG 3.82Å; V146-F186 HydrophobicContact CG1-CD1 4.43Å; V146-F186 HydrophobicContact CG1-CD2 3.92Å; V146-F186 HydrophobicContact CG1-CE2 4.07Å; V146-F186 HydrophobicContact CG1-CG 4.11Å; V146-F186 HydrophobicContact CG1-CZ 4.38Å; V146-F186 HydrophobicContact CG2-CB 3.76Å; V146-F186 HydrophobicContact CG2-CD1 4.04Å; V146-F186 HydrophobicContact CG2-CD2 4.43Å; V146-F186 HydrophobicContact CG2-CG 3.83Å; L147-F186 VanDerWaalsContact O-CA 3.32Å; L147-F186 WeakPolarHBondContact O-CA 3.49Å; L147-F186 WeakPolarHBondContact O-CB 3.35Å; L148-F186 HydrophobicContact CD2-CB 3.76Å; A165-F186 HydrophobicContact CB-CE1 4.32Å; L172-F186 HydrophobicContact CB-CD1 4.5Å; T184-F186 HydrophobicContact CG2-CE1 4.16Å; T184-F186 HydrophobicContact CG2-CE2 4.25Å; T184-F186 HydrophobicContact CG2-CZ 3.81Å; T184-F186 PolarHBondContact OG1-O 2.85Å; F186-P188 HydrophobicContact CE2-CB 4.48Å; F186-P188 WeakPolarHBondContact O-CD 3.17Å; F186-M199 HydrophobicContact CE2-CE 4.09Å; F186-M199 HydrophobicContact CE2-SD 3.54Å; F186-M199 VanDerWaalsContact CE2-SD 3.54Å; F186-M199 HydrophobicContact CZ-CE 4.15Å; F186-M199 HydrophobicContact CZ-SD 3.9Å
187	H	83.9	Confident	85.1	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.009	23%	0.231	C	C	.	.			trans	-96.1	103.4	179.5	-70.6	-89.8	0	0	0	111	Y34 L147 T149 E189 V190 T193	Y34-H187 AromaticContact CD2-CE1 3.38Å; Y34-H187 WeakPolarHBondContact CD2-CE1 3.26Å; Y34-H187 AromaticContact CD2-ND1 3.76Å; Y34-H187 AromaticContact CE2-CE1 3.52Å; Y34-H187 AromaticContact CE2-NE2 3.91Å; Y34-H187 AromaticContact CG-ND1 3.91Å; L147-H187 PolarHBondContact O-N 2.84Å; T149-H187 PolarHBondContact OG1-CD2 2.88Å; T149-H187 PolarHBondContact OG1-NE2 3.26Å; H187-E189 VanDerWaalsContact C-OE2 3.23Å; H187-E189 WeakPolarHBondContact CA-OE2 3.33Å; H187-E189 WeakPolarHBondContact CB-OE2 3.48Å; H187-E189 IonicContact CE1-OE1 2.63Å; H187-E189 IonicContact CG-OE1 3.29Å; H187-E189 IonicContact CG-OE2 2.87Å; H187-E189 IonicContact ND1-OE1 2.89Å; H187-E189 PolarHBondContact ND1-OE1 3.44Å; H187-E189 IonicContact ND1-OE2 3.04Å; H187-E189 PolarHBondContact O-N 2.79Å; H187-V190 HydrophobicContact CB-CG1 4.15Å; H187-V190 HydrophobicContact CB-CG2 4.09Å; H187-V190 WeakPolarHBondContact O-CG2 3.16Å; H187-T193 WeakPolarHBondContact O-CB 3.24Å; H187-T193 PolarHBondContact O-OG1 2.6Å
188	P	86.3	Confident	85	Confident	3 Å²	3	48 Å²	48	2%	0.019	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-12	173.7	30.7	-37.1	0	0	0	113.7	I100 F186 G196 M199 L200	I100-P188 HydrophobicContact CD1-CG 4.06Å; I100-P188 HydrophobicContact CG1-CG 4.44Å; F186-P188 HydrophobicContact CE2-CB 4.48Å; F186-P188 WeakPolarHBondContact O-CD 3.17Å; P188-G196 CarbonylContact O-C 3.41Å; P188-G196 VanDerWaalsContact O-C 3.31Å; P188-G196 WeakPolarHBondContact O-CA 3.36Å; P188-M199 HydrophobicContact CB-CB 4.45Å; P188-M199 HydrophobicContact CB-SD 4.28Å; P188-L200 HydrophobicContact CB-CG 4.39Å; P188-L200 HydrophobicContact CG-CD2 4.25Å
189	E	82.8	Confident	85.1	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-17.5	-174.9	68.8	-88.3	-150.6	0	0	114.6	Y34 V37 I38 R41 H187	Y34-E189 WeakPolarHBondContact CB-OE1 3.36Å; V37-E189 HydrophobicContact CB-CG 4.13Å; V37-E189 HydrophobicContact CG1-CB 4.02Å; V37-E189 HydrophobicContact CG1-CG 3.85Å; V37-E189 WeakPolarHBondContact CG1-O 3.43Å; I38-E189 HydrophobicContact CG1-CB 3.79Å; I38-E189 HydrophobicContact CG1-CG 3.75Å; R41-E189 HydrophobicContact CG-CB 4.18Å; R41-E189 WeakPolarHBondContact CG-O 3.44Å; R41-E189 PolarHBondContact NE-O 3.15Å; H187-E189 VanDerWaalsContact C-OE2 3.23Å; H187-E189 WeakPolarHBondContact CA-OE2 3.33Å; H187-E189 WeakPolarHBondContact CB-OE2 3.48Å; H187-E189 IonicContact CE1-OE1 2.63Å; H187-E189 IonicContact CG-OE1 3.29Å; H187-E189 IonicContact CG-OE2 2.87Å; H187-E189 IonicContact ND1-OE1 2.89Å; H187-E189 PolarHBondContact ND1-OE1 3.44Å; H187-E189 IonicContact ND1-OE2 3.04Å; H187-E189 PolarHBondContact O-N 2.79Å
190	V	79.9	Confident	85.2	Confident	22 Å²	22	34 Å²	34	13%	0.133	16%	0.163	C	C	.	.	S	Bend	trans	-89.5	148.1	-176.3	-59.4	0	0	0	0	111.5	Y34 L147 H187 L192 T193	Y34-V190 HydrophobicContact CD1-CG1 4.28Å; Y34-V190 HydrophobicContact CE1-CG1 4.1Å; L147-V190 HydrophobicContact CB-CG2 3.87Å; L147-V190 HydrophobicContact CD2-CB 4.47Å; L147-V190 HydrophobicContact CD2-CG1 4.34Å; L147-V190 HydrophobicContact CD2-CG2 3.76Å; L147-V190 HydrophobicContact CG-CG2 4.46Å; H187-V190 HydrophobicContact CB-CG1 4.15Å; H187-V190 HydrophobicContact CB-CG2 4.09Å; H187-V190 WeakPolarHBondContact O-CG2 3.16Å; V190-L192 HydrophobicContact CG2-CB 4.14Å; V190-L192 PolarHBondContact O-N 2.98Å; V190-L192 VanDerWaalsContact O-N 3.15Å; V190-T193 PolarHBondContact O-N 3.15Å; V190-T193 VanDerWaalsContact O-N 3.12Å
191	D	74	Confident	85.2	Confident	114 Å²	114	36.2 Å²	36.2	61%	0.61	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.7	177.8	-66.5	-58.1	0	0	0	113.5	R41 T193	R41-D191 IonicContact CZ-OD1 2.96Å; R41-D191 IonicContact NH1-OD1 3.93Å; R41-D191 IonicContact NH2-OD1 3.71Å; R41-D191 PolarHBondContact NH2-OD1 2.92Å; R41-D191 IonicContact NH2-OD2 3.91Å; R41-D191 PolarHBondContact NH2-OD2 3Å; D191-T193 PolarHBondContact O-N 3.23Å
192	L	75.8	Confident	85.1	Confident	102 Å²	102	36.9 Å²	36.9	53%	0.534	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.2	178.3	-64.8	173.9	0	0	0	113	V125 L147 V190	V125-L192 HydrophobicContact CG2-CB 4.35Å; L147-L192 HydrophobicContact CB-CB 4.28Å; L147-L192 HydrophobicContact CD1-CD1 4.04Å; L147-L192 HydrophobicContact CD2-CD1 4.2Å; V190-L192 HydrophobicContact CG2-CB 4.14Å; V190-L192 PolarHBondContact O-N 2.98Å; V190-L192 VanDerWaalsContact O-N 3.15Å
193	T	80.4	Confident	85	Confident	6 Å²	6	36.8 Å²	36.8	4%	0.037	17%	0.172	C	C	.	.	S	Bend	trans	-98.6	98.5	173.6	-59.7	0	0	0	0	108.4	V146 L147 H187 V190 D191 R195 G196	V146-T193 HydrophobicContact CB-CG2 4.16Å; V146-T193 HydrophobicContact CG1-CG2 3.88Å; L147-T193 PolarHBondContact N-OG1 3.28Å; H187-T193 WeakPolarHBondContact O-CB 3.24Å; H187-T193 PolarHBondContact O-OG1 2.6Å; V190-T193 PolarHBondContact O-N 3.15Å; V190-T193 VanDerWaalsContact O-N 3.12Å; D191-T193 PolarHBondContact O-N 3.23Å; T193-R195 VanDerWaalsContact C-N 3.26Å; T193-R195 PolarHBondContact O-N 2.94Å; T193-R195 VanDerWaalsContact O-N 3.09Å; T193-G196 PolarHBondContact O-N 3.15Å
194	E	79	Confident	84.8	Confident	142 Å²	142	36.8 Å²	36.8	66%	0.664	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-39	-166.4	-68.8	-169.4	164.7	0	0	113.9
195	R	84.8	Confident	84.8	Confident	97 Å²	97	39.2 Å²	39.2	37%	0.366	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	18.4	-177.8	-56.6	-67.4	-76.4	-155.9	-8.2	113.6	L140 E144 T193 M197 E198 M199	L140-R195 HydrophobicContact CD2-CB 3.62Å; L140-R195 HydrophobicContact CD2-CG 4.18Å; E144-R195 WeakPolarHBondContact OE2-CG 3.31Å; T193-R195 VanDerWaalsContact C-N 3.26Å; T193-R195 PolarHBondContact O-N 2.94Å; T193-R195 VanDerWaalsContact O-N 3.09Å; R195-M197 VanDerWaalsContact C-N 3.3Å; R195-M197 PolarHBondContact O-N 3.47Å; R195-E198 IonicContact CZ-OE1 3.39Å; R195-E198 IonicContact CZ-OE2 3.96Å; R195-E198 VanDerWaalsContact NE-CD 3.27Å; R195-E198 IonicContact NE-OE1 3.95Å; R195-E198 PolarHBondContact NE-OE1 3.31Å; R195-E198 IonicContact NE-OE2 3.39Å; R195-E198 PolarHBondContact NE-OE2 3.31Å; R195-E198 IonicContact NH1-OE1 2.98Å; R195-E198 PolarHBondContact NH1-OE1 2.55Å; R195-E198 IonicContact NH2-OE1 2.78Å; R195-E198 PolarHBondContact NH2-OE1 3.42Å; R195-E198 IonicContact NH2-OE2 3.22Å; R195-E198 PolarHBondContact NH2-OE2 2.77Å; R195-E198 PolarHBondContact O-N 3.02Å; R195-E198 VanDerWaalsContact O-N 3.16Å; R195-M199 PolarHBondContact O-N 2.64Å
196	G	84.7	Confident	84.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-35.8	-177.8	0	0	0	0	0	113.7	P188 T193 E198 M199 L200	P188-G196 CarbonylContact O-C 3.41Å; P188-G196 VanDerWaalsContact O-C 3.31Å; P188-G196 WeakPolarHBondContact O-CA 3.36Å; T193-G196 PolarHBondContact O-N 3.15Å; G196-E198 VanDerWaalsContact C-N 3.3Å; G196-E198 PolarHBondContact O-N 3.35Å; G196-M199 WeakPolarHBondContact O-CB 3.32Å; G196-M199 PolarHBondContact O-N 3.21Å; G196-L200 PolarHBondContact O-N 3.37Å; G196-L200 VanDerWaalsContact O-N 3.08Å
197	M	85	Confident	85	Confident	59 Å²	59	44 Å²	44	29%	0.291	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-34	175.9	-82.4	-66.2	-89	0	0	113.5	R41 E44 L45 R195 R201	R41-M197 HydrophobicContact CB-SD 3.96Å; R41-M197 WeakPolarHBondContact CD-SD 3.38Å; R41-M197 HydrophobicContact CG-SD 4.19Å; E44-M197 HydrophobicContact CB-CE 3.75Å; E44-M197 WeakPolarHBondContact OE2-CE 3.4Å; L45-M197 HydrophobicContact CD1-CE 4.49Å; L45-M197 HydrophobicContact CD1-SD 4.49Å; L45-M197 HydrophobicContact CD2-CE 3.98Å; L45-M197 HydrophobicContact CG-CE 3.89Å; L45-M197 HydrophobicContact CG-SD 4.5Å; R195-M197 VanDerWaalsContact C-N 3.3Å; R195-M197 PolarHBondContact O-N 3.47Å; M197-R201 WeakPolarHBondContact O-CB 3.43Å; M197-R201 PolarHBondContact O-N 2.9Å
198	E	86.8	Confident	85.1	Confident	62 Å²	62	44.6 Å²	44.6	29%	0.29	21%	0.21	S	C	.	.	H	α-helix	trans	-72.7	-35.7	177	-66.6	-171.8	177.1	0	0	111.8	L140 R195 G196 R201 N202	L140-E198 HydrophobicContact CD2-CB 4.08Å; L140-E198 VanDerWaalsContact CD2-OE2 3.29Å; L140-E198 WeakPolarHBondContact CD2-OE2 3.44Å; R195-E198 IonicContact CZ-OE1 3.39Å; R195-E198 IonicContact CZ-OE2 3.96Å; R195-E198 VanDerWaalsContact NE-CD 3.27Å; R195-E198 IonicContact NE-OE1 3.95Å; R195-E198 PolarHBondContact NE-OE1 3.31Å; R195-E198 IonicContact NE-OE2 3.39Å; R195-E198 PolarHBondContact NE-OE2 3.31Å; R195-E198 IonicContact NH1-OE1 2.98Å; R195-E198 PolarHBondContact NH1-OE1 2.55Å; R195-E198 IonicContact NH2-OE1 2.78Å; R195-E198 PolarHBondContact NH2-OE1 3.42Å; R195-E198 IonicContact NH2-OE2 3.22Å; R195-E198 PolarHBondContact NH2-OE2 2.77Å; R195-E198 PolarHBondContact O-N 3.02Å; R195-E198 VanDerWaalsContact O-N 3.16Å; G196-E198 VanDerWaalsContact C-N 3.3Å; G196-E198 PolarHBondContact O-N 3.35Å; E198-R201 WeakPolarHBondContact O-CB 3.45Å; E198-R201 PolarHBondContact O-N 3.4Å; E198-N202 VanDerWaalsContact O-CG 3.26Å; E198-N202 PolarHBondContact O-N 3.22Å
199	M	89.4	Confident	85	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.02	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-45.9	173.1	-60.6	174.5	-177	0	0	111.2	L130 L136 F137 L140 F186 P188 R195 G196 R201 N202 F203	L130-M199 HydrophobicContact CD1-CE 3.88Å; L136-M199 WeakPolarHBondContact CD1-O 3.21Å; F137-M199 HydrophobicContact CD1-CE 4.16Å; F137-M199 HydrophobicContact CD1-CG 4.13Å; F137-M199 HydrophobicContact CD1-SD 4.25Å; F137-M199 HydrophobicContact CE1-CE 4.11Å; F137-M199 HydrophobicContact CE1-CG 4.26Å; F137-M199 HydrophobicContact CE1-SD 3.9Å; L140-M199 HydrophobicContact CD1-CE 3.5Å; L140-M199 VanDerWaalsContact CD1-CE 3.5Å; L140-M199 HydrophobicContact CD1-CG 3.57Å; L140-M199 HydrophobicContact CD1-SD 4.37Å; F186-M199 HydrophobicContact CE2-CE 4.09Å; F186-M199 HydrophobicContact CE2-SD 3.54Å; F186-M199 VanDerWaalsContact CE2-SD 3.54Å; F186-M199 HydrophobicContact CZ-CE 4.15Å; F186-M199 HydrophobicContact CZ-SD 3.9Å; P188-M199 HydrophobicContact CB-CB 4.45Å; P188-M199 HydrophobicContact CB-SD 4.28Å; R195-M199 PolarHBondContact O-N 2.64Å; G196-M199 WeakPolarHBondContact O-CB 3.32Å; G196-M199 PolarHBondContact O-N 3.21Å; M199-R201 VanDerWaalsContact C-N 3.32Å; M199-R201 PolarHBondContact O-N 2.78Å; M199-N202 PolarHBondContact O-N 3.45Å; M199-F203 PolarHBondContact O-N 3.48Å; M199-F203 VanDerWaalsContact O-N 3.07Å
200	L	89.6	Confident	85	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-39.3	175	-69.2	175.8	0	0	0	111.4	R41 L45 L98 P188 G196 F203 L204	R41-L200 HydrophobicContact CB-CD1 3.65Å; R41-L200 HydrophobicContact CG-CD1 4.28Å; L45-L200 HydrophobicContact CD1-CB 3.89Å; L98-L200 HydrophobicContact CD2-CD2 3.93Å; P188-L200 HydrophobicContact CB-CG 4.39Å; P188-L200 HydrophobicContact CG-CD2 4.25Å; G196-L200 PolarHBondContact O-N 3.37Å; G196-L200 VanDerWaalsContact O-N 3.08Å; L200-F203 PolarHBondContact O-N 3.32Å; L200-L204 WeakPolarHBondContact O-CB 3.41Å; L200-L204 VanDerWaalsContact O-CG 3.23Å; L200-L204 WeakPolarHBondContact O-CG 3.42Å; L200-L204 PolarHBondContact O-N 3.01Å
201	R	90.1	Very high	84.9	Confident	139 Å²	139	48.8 Å²	48.8	53%	0.525	24%	0.244	S	C	.	.	H	α-helix	trans	-60.5	-46.4	175	-174.3	-173.1	173.7	95.7	2.1	111.7	L45 M197 E198 M199 F203 L204 F205	L45-R201 HydrophobicContact CD1-CB 4.19Å; L45-R201 HydrophobicContact CD2-CB 4.14Å; L45-R201 HydrophobicContact CD2-CG 4.38Å; M197-R201 WeakPolarHBondContact O-CB 3.43Å; M197-R201 PolarHBondContact O-N 2.9Å; E198-R201 WeakPolarHBondContact O-CB 3.45Å; E198-R201 PolarHBondContact O-N 3.4Å; M199-R201 VanDerWaalsContact C-N 3.32Å; M199-R201 PolarHBondContact O-N 2.78Å; R201-F203 VanDerWaalsContact C-N 3.31Å; R201-F203 PolarHBondContact O-N 3.36Å; R201-L204 PolarHBondContact O-N 3.31Å; R201-F205 HydrophobicContact CB-CD2 4.47Å; R201-F205 HydrophobicContact CG-CD2 3.64Å; R201-F205 HydrophobicContact CG-CE2 4.11Å; R201-F205 WeakPolarHBondContact O-CB 3.21Å; R201-F205 WeakPolarHBondContact O-CD2 3.49Å; R201-F205 PolarHBondContact O-N 3.38Å
202	N	90.6	Very high	84.9	Confident	15 Å²	15	46.6 Å²	46.6	8%	0.08	24%	0.237	C	C	.	.	I	π-helix	trans	-60.6	-42.7	177.7	-69.2	-14.8	0	0	0	111.2	L136 R138 E198 M199 E206 I207	L136-N202 WeakPolarHBondContact O-CB 3.46Å; L136-N202 PolarHBondContact O-ND2 2.92Å; R138-N202 PolarHBondContact O-ND2 2.93Å; E198-N202 VanDerWaalsContact O-CG 3.26Å; E198-N202 PolarHBondContact O-N 3.22Å; M199-N202 PolarHBondContact O-N 3.45Å; N202-E206 WeakPolarHBondContact O-CA 3.34Å; N202-E206 WeakPolarHBondContact O-CB 3.42Å; N202-E206 PolarHBondContact O-N 3.12Å; N202-I207 PolarHBondContact O-N 3.5Å; N202-I207 VanDerWaalsContact O-N 3.12Å
203	F	91	Very high	84.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	I	π-helix	trans	-62	-48.4	175.8	-177.5	-105.4	0	0	0	112.9	A68 I70 P96 L98 L136 Y182 M199 L200 R201 I207 A208	A68-F203 HydrophobicContact CB-CE1 3.87Å; A68-F203 HydrophobicContact CB-CZ 3.94Å; I70-F203 HydrophobicContact CD1-CE1 4.34Å; I70-F203 HydrophobicContact CG1-CD1 4.43Å; I70-F203 HydrophobicContact CG1-CE1 3.84Å; P96-F203 HydrophobicContact CB-CE2 4.14Å; P96-F203 HydrophobicContact CB-CZ 4.26Å; L98-F203 HydrophobicContact CB-CD1 4.09Å; L98-F203 HydrophobicContact CB-CD2 3.95Å; L98-F203 HydrophobicContact CB-CE1 3.76Å; L98-F203 HydrophobicContact CB-CE2 3.63Å; L98-F203 HydrophobicContact CB-CG 4.17Å; L98-F203 HydrophobicContact CB-CZ 3.52Å; L98-F203 HydrophobicContact CD2-CB 4.48Å; L98-F203 HydrophobicContact CD2-CD1 4.1Å; L98-F203 HydrophobicContact CD2-CG 4.12Å; L136-F203 HydrophobicContact CD1-CB 3.84Å; Y182-F203 HydrophobicContact CD2-CD2 4.24Å; Y182-F203 HydrophobicContact CD2-CE2 4.2Å; M199-F203 PolarHBondContact O-N 3.48Å; M199-F203 VanDerWaalsContact O-N 3.07Å; L200-F203 PolarHBondContact O-N 3.32Å; R201-F203 VanDerWaalsContact C-N 3.31Å; R201-F203 PolarHBondContact O-N 3.36Å; F203-I207 HydrophobicContact CD2-CB 4.35Å; F203-I207 HydrophobicContact CD2-CD1 4.11Å; F203-I207 HydrophobicContact CD2-CG2 4.14Å; F203-I207 HydrophobicContact CE2-CG2 4.21Å; F203-I207 WeakPolarHBondContact O-CB 3.46Å; F203-A208 WeakPolarHBondContact O-CB 3.31Å; F203-A208 PolarHBondContact O-N 3.44Å
204	L	89.3	Confident	84.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-71.5	-44	-175.6	-66.4	174.3	0	0	0	112.5	V25 V42 L45 V47 L200 R201 A208 G209 C210	V25-L204 HydrophobicContact CG1-CD2 4.48Å; V25-L204 HydrophobicContact CG2-CD2 3.68Å; V42-L204 HydrophobicContact CB-CD1 4.33Å; V42-L204 HydrophobicContact CG1-CD1 3.94Å; V42-L204 HydrophobicContact CG1-CD2 4.22Å; V42-L204 HydrophobicContact CG2-CD1 4.21Å; L45-L204 HydrophobicContact CB-CD1 4.14Å; L45-L204 HydrophobicContact CD1-CD1 3.71Å; V47-L204 HydrophobicContact CB-CD1 4.41Å; V47-L204 HydrophobicContact CG1-CD2 4.45Å; V47-L204 HydrophobicContact CG2-CB 4.41Å; V47-L204 HydrophobicContact CG2-CD1 4.21Å; L200-L204 WeakPolarHBondContact O-CB 3.41Å; L200-L204 VanDerWaalsContact O-CG 3.23Å; L200-L204 WeakPolarHBondContact O-CG 3.42Å; L200-L204 PolarHBondContact O-N 3.01Å; R201-L204 PolarHBondContact O-N 3.31Å; L204-A208 WeakPolarHBondContact O-CB 3.42Å; L204-G209 PolarHBondContact O-N 2.79Å; L204-C210 VanDerWaalsContact O-CB 3.24Å; L204-C210 WeakPolarHBondContact O-CB 3.46Å; L204-C210 PolarHBondContact O-N 3.39Å
205	F	88.6	Confident	84.3	Confident	53 Å²	53	43.7 Å²	43.7	23%	0.232	23%	0.226	C	C	.	.	I	π-helix	trans	-93.1	-50.4	-172.8	-68.9	-81.2	0	0	0	113.1	L45 V47 R201 G209 C210	L45-F205 HydrophobicContact CB-CE2 4.26Å; L45-F205 WeakPolarHBondContact O-CZ 3.4Å; V47-F205 HydrophobicContact CG2-CE2 4.47Å; V47-F205 HydrophobicContact CG2-CZ 4.12Å; R201-F205 HydrophobicContact CB-CD2 4.47Å; R201-F205 HydrophobicContact CG-CD2 3.64Å; R201-F205 HydrophobicContact CG-CE2 4.11Å; R201-F205 WeakPolarHBondContact O-CB 3.21Å; R201-F205 WeakPolarHBondContact O-CD2 3.49Å; R201-F205 PolarHBondContact O-N 3.38Å; F205-G209 VanDerWaalsContact O-CA 3.26Å; F205-G209 WeakPolarHBondContact O-CA 3.4Å; F205-G209 PolarHBondContact O-N 3.41Å; F205-C210 WeakPolarHBondContact CD1-O 3.36Å
206	E	86.4	Confident	83.9	Confident	97 Å²	97	40.4 Å²	40.4	45%	0.453	22%	0.217	S	C	.	.	I	π-helix	trans	-78.7	-41.9	-175.7	-57.4	-162.2	171.3	0	0	112	R138 N202	R138-E206 WeakPolarHBondContact CD-OE2 3.32Å; R138-E206 IonicContact NH1-OE2 3.66Å; N202-E206 WeakPolarHBondContact O-CA 3.34Å; N202-E206 WeakPolarHBondContact O-CB 3.42Å; N202-E206 PolarHBondContact O-N 3.12Å
207	I	86.9	Confident	83.7	Confident	7 Å²	7	44.6 Å²	44.6	4%	0.036	24%	0.237	C	C	.	.	I	π-helix	trans	-86.6	-53.7	-173.6	-66.7	162.5	0	0	0	111.3	P96 L136 K180 Y182 N202 F203	P96-I207 HydrophobicContact CB-CG2 3.77Å; P96-I207 HydrophobicContact CG-CG2 4.19Å; L136-I207 HydrophobicContact CB-CD1 4.45Å; L136-I207 HydrophobicContact CD1-CD1 4.36Å; K180-I207 HydrophobicContact CB-CG2 4.1Å; K180-I207 HydrophobicContact CD-CG2 4.24Å; K180-I207 HydrophobicContact CG-CG2 4.45Å; K180-I207 PolarHBondContact NZ-O 2.68Å; Y182-I207 HydrophobicContact CD2-CD1 4.02Å; Y182-I207 HydrophobicContact CD2-CG2 4.34Å; Y182-I207 HydrophobicContact CE1-CD1 4.08Å; Y182-I207 HydrophobicContact CE2-CB 4.41Å; Y182-I207 HydrophobicContact CE2-CD1 3.5Å; Y182-I207 VanDerWaalsContact CE2-CD1 3.5Å; Y182-I207 HydrophobicContact CE2-CG1 4.03Å; Y182-I207 HydrophobicContact CE2-CG2 3.56Å; N202-I207 PolarHBondContact O-N 3.5Å; N202-I207 VanDerWaalsContact O-N 3.12Å; F203-I207 HydrophobicContact CD2-CB 4.35Å; F203-I207 HydrophobicContact CD2-CD1 4.11Å; F203-I207 HydrophobicContact CD2-CG2 4.14Å; F203-I207 HydrophobicContact CE2-CG2 4.21Å; F203-I207 WeakPolarHBondContact O-CB 3.46Å
208	A	86.3	Confident	83.5	Confident	14 Å²	14	45 Å²	45	12%	0.116	24%	0.24	C	C	.	.	S	Bend	trans	-84.9	-15.9	-177.1	0	0	0	0	0	113.9	A68 F203 L204 C210	A68-A208 HydrophobicContact CB-CB 3.64Å; F203-A208 WeakPolarHBondContact O-CB 3.31Å; F203-A208 PolarHBondContact O-N 3.44Å; L204-A208 WeakPolarHBondContact O-CB 3.42Å; A208-C210 VanDerWaalsContact C-N 3.26Å; A208-C210 PolarHBondContact O-N 3.24Å
209	G	83.8	Confident	83.1	Confident	38 Å²	38	43 Å²	43	39%	0.392	23%	0.229	S	C	.	.			trans	64.5	29.1	178.7	0	0	0	0	0	113	R67 L204 F205	R67-G209 PolarHBondContact NH1-O 2.95Å; L204-G209 PolarHBondContact O-N 2.79Å; F205-G209 VanDerWaalsContact O-CA 3.26Å; F205-G209 WeakPolarHBondContact O-CA 3.4Å; F205-G209 PolarHBondContact O-N 3.41Å
210	C	82.9	Confident	82.9	Confident	7 Å²	7	43 Å²	43	5%	0.047	23%	0.23	C	C	.	.			trans	-65.3	143.7	176.7	-68.3	0	0	0	0	110.8	V47 L204 F205 A208	V47-C210 HydrophobicContact CG1-CB 4Å; V47-C210 HydrophobicContact CG2-CB 3.96Å; L204-C210 VanDerWaalsContact O-CB 3.24Å; L204-C210 WeakPolarHBondContact O-CB 3.46Å; L204-C210 PolarHBondContact O-N 3.39Å; F205-C210 WeakPolarHBondContact CD1-O 3.36Å; A208-C210 VanDerWaalsContact C-N 3.26Å; A208-C210 PolarHBondContact O-N 3.24Å
211	T	78.4	Confident	82.6	Confident	69 Å²	69	47.7 Å²	47.7	42%	0.423	25%	0.251	S	S	.	.			trans	-95.4	140.5	172.6	47.6	0	0	0	0	109.7	N213	T211-N213 PolarHBondContact O-N 3.18Å; T211-N213 PolarHBondContact OG1-ND2 3.09Å
212	S	73.5	Confident	82.3	Confident	67 Å²	67	44.8 Å²	44.8	47%	0.469	25%	0.249	S	C	.	.	S	Bend	trans	-75.5	49.6	179	60.6	0	0	0	0	112.7	C46	C46-S212 CarbonylContact O-C 3.57Å; C46-S212 WeakPolarHBondContact O-CA 3.19Å
213	N	71.9	Confident	82	Confident	106 Å²	106	44.6 Å²	44.6	57%	0.567	25%	0.249	S	C	*	.			trans	-87.8	-8.3	-176.2	-68.3	0.2	0	0	0	112.3	T211 T215 N218	T211-N213 PolarHBondContact O-N 3.18Å; T211-N213 PolarHBondContact OG1-ND2 3.09Å; N213-T215 VanDerWaalsContact C-N 3.28Å; N213-T215 PolarHBondContact O-N 2.81Å; N213-T215 VanDerWaalsContact O-N 3.16Å; N213-N218 PolarHBondContact O-ND2 3.2Å
214	F	72.3	Confident	81.8	Confident	37 Å²	37	45.3 Å²	45.3	16%	0.162	25%	0.252	C	S	.	.			trans	-91.7	54.9	-175.8	-160.8	-106.6	0	0	0	111.7	R43 C46 R48 R219	R43-F214 HydrophobicContact CG-CD1 4.44Å; R43-F214 HydrophobicContact CG-CE1 4Å; C46-F214 WeakPolarHBondContact O-CB 3.34Å; C46-F214 PolarHBondContact O-N 3.38Å; C46-F214 VanDerWaalsContact O-N 3.13Å; R48-F214 HydrophobicContact CB-CB 4.48Å; R48-F214 HydrophobicContact CB-CD2 3.55Å; R48-F214 HydrophobicContact CB-CE2 3.76Å; R48-F214 HydrophobicContact CB-CG 3.98Å; R48-F214 HydrophobicContact CB-CZ 4.36Å; R48-F214 HydrophobicContact CG-CD2 4.04Å; R48-F214 HydrophobicContact CG-CE2 3.72Å; R48-F214 HydrophobicContact CG-CZ 4.23Å; F214-R219 HydrophobicContact CD2-CG 4.09Å; F214-R219 VanDerWaalsContact CE1-NH1 3.33Å; F214-R219 HydrophobicContact CE2-CG 3.89Å; F214-R219 VanDerWaalsContact CZ-CD 3.46Å; F214-R219 HydrophobicContact CZ-CG 4.15Å
215	T	77.9	Confident	81.7	Confident	46 Å²	46	49.1 Å²	49.1	28%	0.282	27%	0.273	S	S	.	.			trans	-80.5	157.7	174.3	60.3	0	0	0	0	111.2	N213 H217 N218 R219	N213-T215 VanDerWaalsContact C-N 3.28Å; N213-T215 PolarHBondContact O-N 2.81Å; N213-T215 VanDerWaalsContact O-N 3.16Å; T215-H217 PolarHBondContact O-N 3.06Å; T215-N218 PolarHBondContact O-N 3.13Å; T215-N218 PolarHBondContact OG1-N 3.45Å; T215-N218 PolarHBondContact OG1-ND2 2.93Å; T215-R219 WeakPolarHBondContact O-CG 3.36Å; T215-R219 PolarHBondContact O-N 2.96Å; T215-R219 VanDerWaalsContact O-N 3.12Å
216	V	77.5	Confident	81.5	Confident	29 Å²	29	50 Å²	50	18%	0.176	28%	0.278	C	S	.	.	H	α-helix	trans	-57	-39.7	175.8	177.8	0	0	0	0	111	R219 Q220 L419	V216-R219 PolarHBondContact O-N 2.86Å; V216-Q220 PolarHBondContact O-N 2.69Å; V216-L419 HydrophobicContact CG1-CB 4.23Å; V216-L419 HydrophobicContact CG1-CD1 4.4Å
217	H	79.2	Confident	81.5	Confident	88 Å²	88	45.9 Å²	45.9	41%	0.407	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-53	178.1	-170.3	67.9	0	0	0	113.1	T215 R219 Q220 E221 E422	T215-H217 PolarHBondContact O-N 3.06Å; H217-R219 PolarHBondContact O-N 3.2Å; H217-Q220 WeakPolarHBondContact O-CB 3.19Å; H217-Q220 PolarHBondContact O-N 2.77Å; H217-Q220 VanDerWaalsContact O-N 3.13Å; H217-E221 IonicContact NE2-OE1 3.37Å; H217-E221 PolarHBondContact O-N 2.83Å; H217-E221 VanDerWaalsContact O-N 3.14Å; H217-E422 IonicContact ND1-OE2 3.27Å
218	N	81.3	Confident	81.6	Confident	67 Å²	67	51.7 Å²	51.7	36%	0.358	28%	0.28	S	S	.	.	H	α-helix	trans	-61.1	-37.9	179.1	-70.7	-6.7	0	0	0	111.2	N213 T215 E221 V222	N213-N218 PolarHBondContact O-ND2 3.2Å; T215-N218 PolarHBondContact O-N 3.13Å; T215-N218 PolarHBondContact OG1-N 3.45Å; T215-N218 PolarHBondContact OG1-ND2 2.93Å; N218-E221 PolarHBondContact O-N 3.1Å; N218-V222 WeakPolarHBondContact O-CG2 3.18Å; N218-V222 PolarHBondContact O-N 3.25Å
219	R	79.1	Confident	81.6	Confident	19 Å²	19	59 Å²	59	7%	0.072	31%	0.312	C	S	.	.	H	α-helix	trans	-68.9	-35.9	177.2	-71.5	168.7	60.6	-170.8	-9.1	112.9	F214 T215 V216 H217 E221 V222 C223 D410 F411 E415	F214-R219 HydrophobicContact CD2-CG 4.09Å; F214-R219 VanDerWaalsContact CE1-NH1 3.33Å; F214-R219 HydrophobicContact CE2-CG 3.89Å; F214-R219 VanDerWaalsContact CZ-CD 3.46Å; F214-R219 HydrophobicContact CZ-CG 4.15Å; T215-R219 WeakPolarHBondContact O-CG 3.36Å; T215-R219 PolarHBondContact O-N 2.96Å; T215-R219 VanDerWaalsContact O-N 3.12Å; V216-R219 PolarHBondContact O-N 2.86Å; H217-R219 PolarHBondContact O-N 3.2Å; R219-E221 VanDerWaalsContact C-N 3.29Å; R219-E221 PolarHBondContact O-N 2.76Å; R219-V222 PolarHBondContact O-N 3Å; R219-C223 WeakPolarHBondContact O-CB 3.48Å; R219-C223 PolarHBondContact O-N 2.9Å; R219-D410 PolarHBondContact NH2-O 3.2Å; R219-F411 HydrophobicContact CB-CE1 4Å; R219-F411 HydrophobicContact CB-CZ 3.94Å; R219-E415 IonicContact CZ-OE1 2.96Å; R219-E415 IonicContact CZ-OE2 3.59Å; R219-E415 IonicContact NH1-OE1 3.62Å; R219-E415 PolarHBondContact NH1-OE1 3.1Å; R219-E415 IonicContact NH1-OE2 3.78Å; R219-E415 PolarHBondContact NH1-OE2 3.42Å; R219-E415 IonicContact NH2-OE1 3.71Å; R219-E415 IonicContact NH2-OE2 3.68Å; R219-E415 PolarHBondContact NH2-OE2 2.88Å
220	Q	83.8	Confident	81.6	Confident	5 Å²	5	62.3 Å²	62.3	2%	0.023	32%	0.316	C	S	.	.	H	α-helix	trans	-59.8	-44.6	173.1	-176.4	-165.8	-88.5	0	0	110	V216 H217 C223 I224 L252 L419	V216-Q220 PolarHBondContact O-N 2.69Å; H217-Q220 WeakPolarHBondContact O-CB 3.19Å; H217-Q220 PolarHBondContact O-N 2.77Å; H217-Q220 VanDerWaalsContact O-N 3.13Å; Q220-C223 PolarHBondContact O-N 3.34Å; Q220-I224 HydrophobicContact CG-CD1 3.87Å; Q220-I224 HydrophobicContact CG-CG1 4.49Å; Q220-I224 WeakPolarHBondContact O-CB 3.35Å; Q220-I224 WeakPolarHBondContact O-CG1 3.48Å; Q220-I224 PolarHBondContact O-N 2.81Å; Q220-L252 HydrophobicContact CG-CD1 3.91Å; Q220-L419 HydrophobicContact CB-CD1 3.84Å; Q220-L419 HydrophobicContact CG-CD1 3.65Å; Q220-L419 VanDerWaalsContact OE1-CD1 3.24Å
221	E	83.8	Confident	81.7	Confident	98 Å²	98	62.1 Å²	62.1	46%	0.458	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-45.7	178.2	-65.7	-170.4	157.8	0	0	112.5	H217 N218 R219 C223 I224 N225	H217-E221 IonicContact NE2-OE1 3.37Å; H217-E221 PolarHBondContact O-N 2.83Å; H217-E221 VanDerWaalsContact O-N 3.14Å; N218-E221 PolarHBondContact O-N 3.1Å; R219-E221 VanDerWaalsContact C-N 3.29Å; R219-E221 PolarHBondContact O-N 2.76Å; E221-C223 VanDerWaalsContact C-N 3.32Å; E221-C223 PolarHBondContact O-N 3.44Å; E221-I224 PolarHBondContact O-N 3.13Å; E221-N225 VanDerWaalsContact O-CG 3.3Å; E221-N225 PolarHBondContact O-N 2.87Å; E221-N225 PolarHBondContact O-ND2 3.5Å
222	V	83.8	Confident	82	Confident	79 Å²	79	61 Å²	61	48%	0.479	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-46.8	174.6	173.3	0	0	0	0	110.5	N218 R219 I224 N225 E226	N218-V222 WeakPolarHBondContact O-CG2 3.18Å; N218-V222 PolarHBondContact O-N 3.25Å; R219-V222 PolarHBondContact O-N 3Å; V222-I224 PolarHBondContact O-N 2.86Å; V222-N225 PolarHBondContact O-N 3.46Å; V222-E226 WeakPolarHBondContact O-CG 3.49Å; V222-E226 PolarHBondContact O-N 3.3Å
223	C	84.4	Confident	82.5	Confident	11 Å²	11	62.4 Å²	62.4	7%	0.074	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-41	178.5	-171.2	0	0	0	0	112	R219 Q220 E221 N225 E226 I227 F411	R219-C223 WeakPolarHBondContact O-CB 3.48Å; R219-C223 PolarHBondContact O-N 2.9Å; Q220-C223 PolarHBondContact O-N 3.34Å; E221-C223 VanDerWaalsContact C-N 3.32Å; E221-C223 PolarHBondContact O-N 3.44Å; C223-N225 VanDerWaalsContact C-N 3.32Å; C223-N225 PolarHBondContact O-N 3.4Å; C223-E226 PolarHBondContact O-N 3.45Å; C223-I227 WeakPolarHBondContact O-CB 3.2Å; C223-I227 WeakPolarHBondContact O-CD1 3.37Å; C223-I227 WeakPolarHBondContact O-CG1 3.42Å; C223-I227 PolarHBondContact O-N 2.91Å; C223-F411 HydrophobicContact CB-CE2 4.39Å
224	I	87.1	Confident	83	Confident	14 Å²	14	59.2 Å²	59.2	7%	0.072	32%	0.318	C	S	.	.	H	α-helix	trans	-60.2	-43.2	174.8	-74.5	166	0	0	0	110.8	Q220 E221 V222 I227 R228 L252 K255 A256	Q220-I224 HydrophobicContact CG-CD1 3.87Å; Q220-I224 HydrophobicContact CG-CG1 4.49Å; Q220-I224 WeakPolarHBondContact O-CB 3.35Å; Q220-I224 WeakPolarHBondContact O-CG1 3.48Å; Q220-I224 PolarHBondContact O-N 2.81Å; E221-I224 PolarHBondContact O-N 3.13Å; V222-I224 PolarHBondContact O-N 2.86Å; I224-I227 PolarHBondContact O-N 2.96Å; I224-R228 WeakPolarHBondContact O-CG 3.36Å; I224-R228 PolarHBondContact O-N 2.86Å; I224-L252 HydrophobicContact CD1-CD1 4.49Å; I224-L252 HydrophobicContact CG1-CD1 4.09Å; I224-K255 HydrophobicContact CD1-CD 4.19Å; I224-K255 HydrophobicContact CD1-CG 4.18Å; I224-A256 HydrophobicContact CB-CB 4.34Å; I224-A256 HydrophobicContact CG1-CB 4.15Å; I224-A256 HydrophobicContact CG2-CB 4Å
225	N	86.4	Confident	83.5	Confident	81 Å²	81	61.9 Å²	61.9	43%	0.433	33%	0.329	S	S	.	.	H	α-helix	trans	-66.2	-44.9	178.6	-68.2	-22.1	0	0	0	111.4	E221 V222 C223 I227 R228 E229	E221-N225 VanDerWaalsContact O-CG 3.3Å; E221-N225 PolarHBondContact O-N 2.87Å; E221-N225 PolarHBondContact O-ND2 3.5Å; V222-N225 PolarHBondContact O-N 3.46Å; C223-N225 VanDerWaalsContact C-N 3.32Å; C223-N225 PolarHBondContact O-N 3.4Å; N225-I227 VanDerWaalsContact C-N 3.31Å; N225-I227 PolarHBondContact O-N 3.39Å; N225-R228 PolarHBondContact O-N 3.14Å; N225-R228 VanDerWaalsContact O-N 3.15Å; N225-E229 WeakPolarHBondContact O-CG 3.45Å; N225-E229 PolarHBondContact O-N 3.19Å
226	E	85.1	Confident	83.8	Confident	71 Å²	71	59.7 Å²	59.7	33%	0.332	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-39.7	175	-73.8	-175.4	-162.4	0	0	112.7	V222 C223 K230	V222-E226 WeakPolarHBondContact O-CG 3.49Å; V222-E226 PolarHBondContact O-N 3.3Å; C223-E226 PolarHBondContact O-N 3.45Å; E226-K230 WeakPolarHBondContact O-CB 3.38Å; E226-K230 WeakPolarHBondContact O-CG 3.42Å; E226-K230 PolarHBondContact O-N 3.25Å
227	I	86.5	Confident	83.9	Confident	10 Å²	10	58.6 Å²	58.6	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-45.3	175.9	-69.2	161.4	0	0	0	109.9	C223 I224 N225 K230 V231 L252 L253 A256 L257 P407	C223-I227 WeakPolarHBondContact O-CB 3.2Å; C223-I227 WeakPolarHBondContact O-CD1 3.37Å; C223-I227 WeakPolarHBondContact O-CG1 3.42Å; C223-I227 PolarHBondContact O-N 2.91Å; I224-I227 PolarHBondContact O-N 2.96Å; N225-I227 VanDerWaalsContact C-N 3.31Å; N225-I227 PolarHBondContact O-N 3.39Å; I227-K230 PolarHBondContact O-N 2.91Å; I227-V231 HydrophobicContact CG2-CG2 4.15Å; I227-V231 VanDerWaalsContact O-CB 3.23Å; I227-V231 WeakPolarHBondContact O-CB 3.45Å; I227-V231 VanDerWaalsContact O-CG2 3.27Å; I227-V231 WeakPolarHBondContact O-CG2 3.42Å; I227-V231 PolarHBondContact O-N 2.79Å; I227-L252 HydrophobicContact CD1-CD2 4.28Å; I227-L252 HydrophobicContact CD1-CG 4.23Å; I227-L253 HydrophobicContact CD1-CD2 4.32Å; I227-L253 HydrophobicContact CG2-CD2 4.04Å; I227-A256 HydrophobicContact CB-CB 4.16Å; I227-A256 HydrophobicContact CD1-CB 4.24Å; I227-A256 HydrophobicContact CG2-CB 3.84Å; I227-L257 HydrophobicContact CG2-CD1 4.07Å; I227-L257 HydrophobicContact CG2-CD2 4.21Å; I227-L257 HydrophobicContact CG2-CG 4.06Å; I227-P407 HydrophobicContact CD1-CB 4.11Å; I227-P407 HydrophobicContact CD1-CG 4.28Å
228	R	87.7	Confident	83.9	Confident	130 Å²	130	54.5 Å²	54.5	49%	0.491	29%	0.29	S	S	.	.	H	α-helix	trans	-63.4	-42.5	179.2	-74.3	173.6	176.9	169.5	1.4	112.3	I224 N225 G232 A256	I224-R228 WeakPolarHBondContact O-CG 3.36Å; I224-R228 PolarHBondContact O-N 2.86Å; N225-R228 PolarHBondContact O-N 3.14Å; N225-R228 VanDerWaalsContact O-N 3.15Å; R228-G232 WeakPolarHBondContact O-CA 3.23Å; R228-G232 PolarHBondContact O-N 2.79Å; R228-A256 PolarHBondContact NE-O 2.78Å; R228-A256 PolarHBondContact NH2-O 3.45Å
229	E	87.3	Confident	83.7	Confident	166 Å²	166	53 Å²	53	78%	0.776	28%	0.282	S	S	*	.	H	α-helix	trans	-65.6	-42.4	178.4	-74.4	-179.5	176.5	0	0	112.3	N225	N225-E229 WeakPolarHBondContact O-CG 3.45Å; N225-E229 PolarHBondContact O-N 3.19Å
230	K	84	Confident	83.6	Confident	109 Å²	109	52.2 Å²	52.2	47%	0.474	28%	0.279	S	S	.	.	H	α-helix	trans	-75.1	-41.8	-178.9	-75	179	179.6	167	0	113.5	E226 I227 F360	E226-K230 WeakPolarHBondContact O-CB 3.38Å; E226-K230 WeakPolarHBondContact O-CG 3.42Å; E226-K230 PolarHBondContact O-N 3.25Å; I227-K230 PolarHBondContact O-N 2.91Å; K230-F360 WeakPolarHBondContact O-CZ 3.19Å
231	V	84.4	Confident	82.8	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-84.7	-35.4	-173.6	175.9	0	0	0	0	111.5	I227 A233 S234 V236 L257 F360 I405	I227-V231 HydrophobicContact CG2-CG2 4.15Å; I227-V231 VanDerWaalsContact O-CB 3.23Å; I227-V231 WeakPolarHBondContact O-CB 3.45Å; I227-V231 VanDerWaalsContact O-CG2 3.27Å; I227-V231 WeakPolarHBondContact O-CG2 3.42Å; I227-V231 PolarHBondContact O-N 2.79Å; V231-A233 PolarHBondContact O-N 3.32Å; V231-S234 WeakPolarHBondContact CG1-O 3.18Å; V231-S234 VanDerWaalsContact O-CB 3.31Å; V231-S234 WeakPolarHBondContact O-CB 3.5Å; V231-S234 PolarHBondContact O-N 3.48Å; V231-V236 HydrophobicContact CB-CG2 4.23Å; V231-V236 HydrophobicContact CG1-CG2 3.38Å; V231-V236 HydrophobicContact CG2-CG2 3.75Å; V231-L257 HydrophobicContact CB-CD1 4.41Å; V231-L257 HydrophobicContact CB-CD2 4.25Å; V231-L257 HydrophobicContact CG1-CD1 3.92Å; V231-L257 HydrophobicContact CG1-CD2 4.12Å; V231-L257 HydrophobicContact CG2-CD1 4.44Å; V231-F360 HydrophobicContact CG1-CD2 4.48Å; V231-I405 HydrophobicContact CG2-CD1 3.9Å
232	G	84.8	Confident	82.1	Confident	45 Å²	45	48.8 Å²	48.8	46%	0.464	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	-121.4	-176.1	0	0	0	0	0	112.3	R228 Q261	R228-G232 WeakPolarHBondContact O-CA 3.23Å; R228-G232 PolarHBondContact O-N 2.79Å; G232-Q261 PolarHBondContact O-NE2 3.3Å
233	A	83.3	Confident	81.7	Confident	96 Å²	96	45.8 Å²	45.8	79%	0.793	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-3.9	179.3	0	0	0	0	0	114.1	V231 Q261	V231-A233 PolarHBondContact O-N 3.32Å; A233-Q261 PolarHBondContact O-NE2 3.06Å
234	S	83.7	Confident	81.5	Confident	39 Å²	39	45.9 Å²	45.9	27%	0.273	25%	0.252	S	S	.	.	S	Bend	trans	-68.4	162.6	-178.1	-63.5	0	0	0	0	112.3	V231 Q261 E358	V231-S234 WeakPolarHBondContact CG1-O 3.18Å; V231-S234 VanDerWaalsContact O-CB 3.31Å; V231-S234 WeakPolarHBondContact O-CB 3.5Å; V231-S234 PolarHBondContact O-N 3.48Å; S234-Q261 PolarHBondContact O-NE2 2.9Å; S234-Q261 VanDerWaalsContact O-NE2 3.11Å; S234-E358 WeakPolarHBondContact CB-O 3.23Å
235	K	82.6	Confident	81.3	Confident	94 Å²	94	46.8 Å²	46.8	41%	0.409	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	147.6	175	-66.1	178.2	-179.9	169.2	0	110	Q261 I263 L354 E358 V359 F360	K235-Q261 CarbonylContact C-O 3.53Å; K235-Q261 WeakPolarHBondContact CA-O 3.34Å; K235-I263 HydrophobicContact CD-CD1 4.18Å; K235-L354 HydrophobicContact CD-CD2 4.16Å; K235-E358 PolarHBondContact N-O 3Å; K235-V359 HydrophobicContact CB-CG2 4.32Å; K235-V359 WeakPolarHBondContact O-CA 3.24Å; K235-F360 PolarHBondContact O-N 2.92Å
236	V	83.3	Confident	81	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.6	177.5	-175.6	0	0	0	0	109	V231 L253 L257 Q261 I263 F360 A362 I405	V231-V236 HydrophobicContact CB-CG2 4.23Å; V231-V236 HydrophobicContact CG1-CG2 3.38Å; V231-V236 HydrophobicContact CG2-CG2 3.75Å; V236-L253 HydrophobicContact CG1-CD1 4.01Å; V236-L253 HydrophobicContact CG1-CD2 4.25Å; V236-L257 HydrophobicContact CB-CD1 4.32Å; V236-L257 HydrophobicContact CG2-CD1 3.53Å; V236-Q261 PolarHBondContact N-O 3.07Å; V236-I263 PolarHBondContact O-N 2.9Å; V236-F360 CarbonylContact C-O 3.59Å; V236-F360 WeakPolarHBondContact CA-O 3.29Å; V236-F360 HydrophobicContact CG2-CB 4.27Å; V236-A362 HydrophobicContact CG1-CB 3.64Å; V236-I405 HydrophobicContact CG1-CD1 3.84Å; V236-I405 HydrophobicContact CG2-CD1 4.33Å
237	L	79.9	Confident	81	Confident	5 Å²	5	40.1 Å²	40.1	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.4	170.5	-173.3	74.5	0	0	0	109.5	L239 I263 V265 L349 V359 F360 L361 A362	L237-L239 HydrophobicContact CD2-CD2 4.46Å; L237-I263 CarbonylContact C-O 3.55Å; L237-I263 WeakPolarHBondContact CA-O 3.17Å; L237-I263 HydrophobicContact CD1-CB 3.93Å; L237-I263 HydrophobicContact CD1-CG2 3.61Å; L237-V265 HydrophobicContact CD1-CG2 3.77Å; L237-L349 HydrophobicContact CD2-CD1 4.38Å; L237-L349 HydrophobicContact CD2-CD2 3.44Å; L237-L349 VanDerWaalsContact CD2-CD2 3.44Å; L237-L349 HydrophobicContact CD2-CG 3.95Å; L237-V359 HydrophobicContact CB-CG1 4.04Å; L237-F360 PolarHBondContact N-O 3.37Å; L237-L361 HydrophobicContact CB-CD1 4.45Å; L237-L361 HydrophobicContact CD2-CD1 4.22Å; L237-L361 HydrophobicContact CG-CD1 4.47Å; L237-L361 CarbonylContact O-C 3.6Å; L237-A362 PolarHBondContact O-N 3.33Å
238	V	80.5	Confident	81	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.2	170.4	62.1	0	0	0	0	109.9	L240 T250 L253 I263 A264 V265 A362	V238-L240 PolarHBondContact O-N 3.5Å; V238-T250 HydrophobicContact CG1-CG2 3.96Å; V238-T250 WeakPolarHBondContact CG1-OG1 3.21Å; V238-L253 HydrophobicContact CB-CD1 4.17Å; V238-L253 HydrophobicContact CG2-CD1 4.47Å; V238-I263 PolarHBondContact N-O 2.92Å; V238-A264 HydrophobicContact CG1-CB 3.69Å; V238-V265 PolarHBondContact O-N 2.7Å; V238-A362 HydrophobicContact CB-CB 4.22Å; V238-A362 HydrophobicContact CG2-CB 4.4Å
239	L	75.4	Confident	81	Confident	36 Å²	36	33.5 Å²	33.5	19%	0.188	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	98.8	173.1	-61.9	178.4	0	0	0	108.1	L237 S241 V265 A345 L361	L237-L239 HydrophobicContact CD2-CD2 4.46Å; L239-S241 PolarHBondContact O-N 3.14Å; L239-V265 CarbonylContact C-O 3.55Å; L239-V265 HydrophobicContact CD2-CB 4.34Å; L239-A345 HydrophobicContact CD1-CB 4.15Å; L239-A345 HydrophobicContact CD2-CB 4.31Å; L239-L361 HydrophobicContact CD1-CD1 4.49Å; L239-L361 HydrophobicContact CG-CD1 4.32Å
240	L	77.2	Confident	81	Confident	3 Å²	3	25.6 Å²	25.6	2%	0.016	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	118.5	-180	-177.3	72.2	0	0	0	109.3	V238 V265 H266 V280 L284 L291	V238-L240 PolarHBondContact O-N 3.5Å; L240-V265 PolarHBondContact N-O 3.35Å; L240-H266 HydrophobicContact CB-CB 4.31Å; L240-H266 HydrophobicContact CD2-CB 4.21Å; L240-H266 WeakPolarHBondContact O-CA 3.01Å; L240-H266 PolarHBondContact O-ND1 3.43Å; L240-V280 HydrophobicContact CD2-CG1 3.94Å; L240-L284 HydrophobicContact CD1-CD1 4.1Å; L240-L284 HydrophobicContact CD2-CD1 3.29Å; L240-L284 HydrophobicContact CG-CD1 4.35Å; L240-L291 HydrophobicContact CD2-CD2 3.87Å
241	S	68.1	Low	81.1	Confident	28 Å²	28	20.7 Å²	20.7	20%	0.196	14%	0.142	C	C	.	.			trans	-97.8	-18.5	-175.8	81.2	0	0	0	0	113.3	L239 G243 S246 M272 V437	L239-S241 PolarHBondContact O-N 3.14Å; S241-G243 PolarHBondContact OG-N 3.09Å; S241-S246 PolarHBondContact N-OG 3.02Å; S241-S246 WeakPolarHBondContact OG-CB 3.29Å; S241-S246 PolarHBondContact OG-OG 3.46Å; S241-M272 WeakPolarHBondContact O-CE 3.2Å; S241-V437 WeakPolarHBondContact OG-CG1 3.35Å
242	G	68.9	Low	81.3	Confident	3 Å²	3	20.6 Å²	20.6	3%	0.031	14%	0.141	C	C	.	.	S	Bend	trans	92.7	-9.2	-175.9	0	0	0	0	0	114.2	S246	G242-S246 PolarHBondContact N-OG 3.21Å
243	G	74.6	Confident	81.5	Confident	15 Å²	15	18.4 Å²	18.4	16%	0.155	12%	0.119	C	C	.	.	S	Bend	trans	-73.9	155.3	168.5	0	0	0	0	0	112.7	S241 D245 S246 T247	S241-G243 PolarHBondContact OG-N 3.09Å; G243-D245 VanDerWaalsContact C-N 3.27Å; G243-D245 PolarHBondContact O-N 3.29Å; G243-S246 PolarHBondContact N-OG 3.46Å; G243-S246 PolarHBondContact O-N 3.15Å; G243-S246 VanDerWaalsContact O-N 3.16Å; G243-S246 PolarHBondContact O-OG 2.87Å; G243-T247 PolarHBondContact O-N 3.47Å; G243-T247 PolarHBondContact O-OG1 2.86Å; G243-T247 VanDerWaalsContact O-OG1 3.11Å
244	V	80.4	Confident	81.6	Confident	13 Å²	13	15.2 Å²	15.2	8%	0.079	9%	0.089	C	C	.	.	H	α-helix	trans	-49.7	-46.3	-177.4	-174.7	0	0	0	0	112	S246 T247 V248 V416 I429 R432	V244-S246 PolarHBondContact O-N 3.36Å; V244-T247 PolarHBondContact O-N 3.33Å; V244-V248 HydrophobicContact CG1-CG2 4.11Å; V244-V248 WeakPolarHBondContact O-CB 3.16Å; V244-V248 VanDerWaalsContact O-CG2 3.26Å; V244-V248 WeakPolarHBondContact O-CG2 3.3Å; V244-V248 PolarHBondContact O-N 3.47Å; V244-V416 HydrophobicContact CG1-CG1 4.44Å; V244-I429 WeakPolarHBondContact CG2-O 3.27Å; V244-R432 HydrophobicContact CG2-CB 4.17Å
245	D	83	Confident	81.8	Confident	33 Å²	33	18 Å²	18	18%	0.176	10%	0.096	C	C	.	.	H	α-helix	trans	-65.7	-44.3	-174.9	-46.5	-33.7	0	0	0	111.4	G243 T247 V248 C249 G364 L366 L408 K413	G243-D245 VanDerWaalsContact C-N 3.27Å; G243-D245 PolarHBondContact O-N 3.29Å; D245-T247 VanDerWaalsContact C-N 3.35Å; D245-T247 PolarHBondContact O-N 2.81Å; D245-V248 PolarHBondContact O-N 2.87Å; D245-C249 WeakPolarHBondContact O-CB 2.96Å; D245-C249 PolarHBondContact O-N 3.23Å; D245-G364 WeakPolarHBondContact CB-O 3.27Å; D245-L366 HydrophobicContact CB-CD2 4.35Å; D245-L408 HydrophobicContact CB-CD1 4.13Å; D245-L408 VanDerWaalsContact O-CD1 3.24Å; D245-L408 WeakPolarHBondContact O-CD1 3.33Å; D245-K413 IonicContact OD1-NZ 3.72Å; D245-K413 PolarHBondContact OD1-NZ 3.26Å; D245-K413 IonicContact OD2-NZ 3.76Å; D245-K413 PolarHBondContact OD2-NZ 2.83Å
246	S	79.9	Confident	82	Confident	12 Å²	12	13.8 Å²	13.8	8%	0.084	8%	0.078	C	C	.	.	H	α-helix	trans	-65.1	-39.1	176.9	65.6	0	0	0	0	111.9	S241 G242 G243 V244 C249 T250	S241-S246 PolarHBondContact N-OG 3.02Å; S241-S246 WeakPolarHBondContact OG-CB 3.29Å; S241-S246 PolarHBondContact OG-OG 3.46Å; G242-S246 PolarHBondContact N-OG 3.21Å; G243-S246 PolarHBondContact N-OG 3.46Å; G243-S246 PolarHBondContact O-N 3.15Å; G243-S246 VanDerWaalsContact O-N 3.16Å; G243-S246 PolarHBondContact O-OG 2.87Å; V244-S246 PolarHBondContact O-N 3.36Å; S246-C249 PolarHBondContact O-N 3.33Å; S246-T250 PolarHBondContact O-N 3.02Å; S246-T250 PolarHBondContact O-OG1 3.07Å
247	T	84.6	Confident	82.2	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-68.2	-42.9	178.5	-52.1	0	0	0	0	111.7	G243 V244 D245 T250 A251 V280 L284 L425 I429	G243-T247 PolarHBondContact O-N 3.47Å; G243-T247 PolarHBondContact O-OG1 2.86Å; G243-T247 VanDerWaalsContact O-OG1 3.11Å; V244-T247 PolarHBondContact O-N 3.33Å; D245-T247 VanDerWaalsContact C-N 3.35Å; D245-T247 PolarHBondContact O-N 2.81Å; T247-T250 PolarHBondContact O-N 2.93Å; T247-A251 WeakPolarHBondContact O-CB 3.4Å; T247-A251 PolarHBondContact O-N 3.26Å; T247-V280 HydrophobicContact CG2-CG1 4.33Å; T247-L284 HydrophobicContact CG2-CD1 4.47Å; T247-L284 HydrophobicContact CG2-CD2 3.88Å; T247-L284 HydrophobicContact CG2-CG 4.25Å; T247-L425 HydrophobicContact CG2-CD1 4.05Å; T247-L425 HydrophobicContact CG2-CD2 3.7Å; T247-I429 HydrophobicContact CG2-CG2 4.25Å
248	V	87.7	Confident	82.4	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-65.6	-41.6	175.9	173.5	0	0	0	0	110.7	V244 D245 T250 A251 L252 L408 V416 L419 L423 L425	V244-V248 HydrophobicContact CG1-CG2 4.11Å; V244-V248 WeakPolarHBondContact O-CB 3.16Å; V244-V248 VanDerWaalsContact O-CG2 3.26Å; V244-V248 WeakPolarHBondContact O-CG2 3.3Å; V244-V248 PolarHBondContact O-N 3.47Å; D245-V248 PolarHBondContact O-N 2.87Å; V248-T250 PolarHBondContact O-N 3.45Å; V248-A251 PolarHBondContact O-N 3.19Å; V248-L252 WeakPolarHBondContact O-CB 3.4Å; V248-L252 PolarHBondContact O-N 3.44Å; V248-L408 HydrophobicContact CG1-CD2 4.29Å; V248-V416 HydrophobicContact CB-CG1 3.97Å; V248-V416 HydrophobicContact CG1-CG1 4.01Å; V248-V416 HydrophobicContact CG2-CG1 3.95Å; V248-L419 HydrophobicContact CG1-CB 4.4Å; V248-L419 HydrophobicContact CG1-CD2 3.85Å; V248-L419 HydrophobicContact CG1-CG 4.05Å; V248-L423 HydrophobicContact CG1-CD1 4.05Å; V248-L425 HydrophobicContact CB-CD1 4.49Å; V248-L425 HydrophobicContact CG2-CD1 3.75Å
249	C	87.3	Confident	82.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.3	-47.6	174.8	-177.1	0	0	0	0	111.4	D245 S246 A251 L252 L253 L408	D245-C249 WeakPolarHBondContact O-CB 2.96Å; D245-C249 PolarHBondContact O-N 3.23Å; S246-C249 PolarHBondContact O-N 3.33Å; C249-A251 PolarHBondContact O-N 3Å; C249-L252 PolarHBondContact O-N 2.79Å; C249-L253 VanDerWaalsContact O-CG 3.29Å; C249-L253 WeakPolarHBondContact O-CG 3.46Å; C249-L253 PolarHBondContact O-N 3.18Å; C249-L408 HydrophobicContact CB-CD1 3.96Å; C249-L408 HydrophobicContact CB-CG 4.27Å
250	T	86.5	Confident	82.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-42.8	175.8	-55.3	0	0	0	0	112.3	V238 S246 T247 V248 L253 N254 A264 L284 I289	V238-T250 HydrophobicContact CG1-CG2 3.96Å; V238-T250 WeakPolarHBondContact CG1-OG1 3.21Å; S246-T250 PolarHBondContact O-N 3.02Å; S246-T250 PolarHBondContact O-OG1 3.07Å; T247-T250 PolarHBondContact O-N 2.93Å; V248-T250 PolarHBondContact O-N 3.45Å; T250-L253 PolarHBondContact O-N 3.02Å; T250-N254 WeakPolarHBondContact O-CB 3.41Å; T250-N254 PolarHBondContact O-N 2.92Å; T250-A264 HydrophobicContact CG2-CB 3.77Å; T250-L284 HydrophobicContact CG2-CD2 4.47Å; T250-I289 HydrophobicContact CG2-CD1 4.39Å; T250-I289 HydrophobicContact CG2-CG2 3.96Å
251	A	87.6	Confident	82.6	Confident	7 Å²	7	32.7 Å²	32.7	6%	0.058	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-39.2	177.5	0	0	0	0	0	112.3	T247 V248 C249 N254 K255 I289 L423 L425	T247-A251 WeakPolarHBondContact O-CB 3.4Å; T247-A251 PolarHBondContact O-N 3.26Å; V248-A251 PolarHBondContact O-N 3.19Å; C249-A251 PolarHBondContact O-N 3Å; A251-N254 PolarHBondContact O-N 2.92Å; A251-K255 PolarHBondContact O-N 3.37Å; A251-K255 VanDerWaalsContact O-N 3.07Å; A251-I289 HydrophobicContact CB-CD1 4.49Å; A251-L423 HydrophobicContact CB-CB 4.23Å; A251-L423 HydrophobicContact CB-CD1 3.95Å; A251-L425 HydrophobicContact CB-CD1 4.14Å; A251-L425 HydrophobicContact CB-CG 4.4Å
252	L	88.8	Confident	83.3	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.8	-44.6	177.5	-175.2	64.3	0	0	0	111.6	Q220 I224 I227 V248 C249 N254 K255 A256 P407 L408 L419 L423	Q220-L252 HydrophobicContact CG-CD1 3.91Å; I224-L252 HydrophobicContact CD1-CD1 4.49Å; I224-L252 HydrophobicContact CG1-CD1 4.09Å; I227-L252 HydrophobicContact CD1-CD2 4.28Å; I227-L252 HydrophobicContact CD1-CG 4.23Å; V248-L252 WeakPolarHBondContact O-CB 3.4Å; V248-L252 PolarHBondContact O-N 3.44Å; C249-L252 PolarHBondContact O-N 2.79Å; L252-N254 VanDerWaalsContact C-N 3.33Å; L252-N254 PolarHBondContact O-N 3.07Å; L252-K255 PolarHBondContact O-N 3.15Å; L252-A256 WeakPolarHBondContact O-CB 3.26Å; L252-A256 PolarHBondContact O-N 2.78Å; L252-P407 HydrophobicContact CD2-CB 3.87Å; L252-L408 HydrophobicContact CD2-CD2 4.23Å; L252-L419 HydrophobicContact CD2-CD2 4.35Å; L252-L423 HydrophobicContact CB-CD1 4.06Å; L252-L423 HydrophobicContact CD1-CD1 4.5Å; L252-L423 HydrophobicContact CD1-CD2 4.4Å
253	L	87.9	Confident	83.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-41.6	176	-69.2	168	0	0	0	111.8	I227 V236 V238 C249 T250 K255 A256 L257 V262 A362 I405 P407	I227-L253 HydrophobicContact CD1-CD2 4.32Å; I227-L253 HydrophobicContact CG2-CD2 4.04Å; V236-L253 HydrophobicContact CG1-CD1 4.01Å; V236-L253 HydrophobicContact CG1-CD2 4.25Å; V238-L253 HydrophobicContact CB-CD1 4.17Å; V238-L253 HydrophobicContact CG2-CD1 4.47Å; C249-L253 VanDerWaalsContact O-CG 3.29Å; C249-L253 WeakPolarHBondContact O-CG 3.46Å; C249-L253 PolarHBondContact O-N 3.18Å; T250-L253 PolarHBondContact O-N 3.02Å; L253-K255 VanDerWaalsContact C-N 3.28Å; L253-K255 PolarHBondContact O-N 3.37Å; L253-A256 PolarHBondContact O-N 3.17Å; L253-L257 HydrophobicContact CD2-CD1 4.5Å; L253-L257 WeakPolarHBondContact O-CB 3.4Å; L253-L257 PolarHBondContact O-N 3.4Å; L253-V262 HydrophobicContact CB-CG1 4.28Å; L253-V262 HydrophobicContact CB-CG2 4.15Å; L253-A362 HydrophobicContact CD1-CB 3.45Å; L253-A362 VanDerWaalsContact CD1-CB 3.45Å; L253-I405 HydrophobicContact CD2-CD1 3.85Å; L253-P407 HydrophobicContact CD2-CG 4.19Å
254	N	87	Confident	84.3	Confident	29 Å²	29	31 Å²	31	16%	0.155	16%	0.155	C	C	.	.	H	α-helix	trans	-68.5	-26.2	177.7	-171.2	66.9	0	0	0	113.2	T250 A251 L252 L257 I289	T250-N254 WeakPolarHBondContact O-CB 3.41Å; T250-N254 PolarHBondContact O-N 2.92Å; A251-N254 PolarHBondContact O-N 2.92Å; L252-N254 VanDerWaalsContact C-N 3.33Å; L252-N254 PolarHBondContact O-N 3.07Å; N254-L257 VanDerWaalsContact O-O 3.13Å; N254-I289 HydrophobicContact CB-CD1 3.92Å; N254-I289 HydrophobicContact CB-CG1 3.71Å; N254-I289 VanDerWaalsContact CG-CG1 3.42Å; N254-I289 VanDerWaalsContact ND2-CG1 3.29Å; N254-I289 WeakPolarHBondContact ND2-CG1 3.05Å
255	K	86.5	Confident	84.1	Confident	97 Å²	97	30.7 Å²	30.7	42%	0.422	15%	0.152	S	C	.	.	H	α-helix	trans	-77.5	-32.9	172	-169.7	171.9	-176.5	176.8	0	111.9	I224 A251 L252 L253 L423	I224-K255 HydrophobicContact CD1-CD 4.19Å; I224-K255 HydrophobicContact CD1-CG 4.18Å; A251-K255 PolarHBondContact O-N 3.37Å; A251-K255 VanDerWaalsContact O-N 3.07Å; L252-K255 PolarHBondContact O-N 3.15Å; L253-K255 VanDerWaalsContact C-N 3.28Å; L253-K255 PolarHBondContact O-N 3.37Å; K255-L423 HydrophobicContact CB-CD2 4.25Å; K255-L423 HydrophobicContact CD-CD2 3.35Å; K255-L423 HydrophobicContact CG-CD2 4.46Å
256	A	87.1	Confident	83.9	Confident	5 Å²	5	29.5 Å²	29.5	4%	0.041	15%	0.146	C	C	.	.	H	α-helix	trans	-78	-40.4	-179.5	0	0	0	0	0	113	I224 I227 R228 L252 L253	I224-A256 HydrophobicContact CB-CB 4.34Å; I224-A256 HydrophobicContact CG1-CB 4.15Å; I224-A256 HydrophobicContact CG2-CB 4Å; I227-A256 HydrophobicContact CB-CB 4.16Å; I227-A256 HydrophobicContact CD1-CB 4.24Å; I227-A256 HydrophobicContact CG2-CB 3.84Å; R228-A256 PolarHBondContact NE-O 2.78Å; R228-A256 PolarHBondContact NH2-O 3.45Å; L252-A256 WeakPolarHBondContact O-CB 3.26Å; L252-A256 PolarHBondContact O-N 2.78Å; L253-A256 PolarHBondContact O-N 3.17Å
257	L	87.3	Confident	83.5	Confident	16 Å²	16	29.2 Å²	29.2	8%	0.084	14%	0.143	C	C	.	.	S	Bend	trans	-117.9	171.1	-168.2	-58.6	171.8	0	0	0	112.3	I227 V231 V236 L253 N254 Q261 V262	I227-L257 HydrophobicContact CG2-CD1 4.07Å; I227-L257 HydrophobicContact CG2-CD2 4.21Å; I227-L257 HydrophobicContact CG2-CG 4.06Å; V231-L257 HydrophobicContact CB-CD1 4.41Å; V231-L257 HydrophobicContact CB-CD2 4.25Å; V231-L257 HydrophobicContact CG1-CD1 3.92Å; V231-L257 HydrophobicContact CG1-CD2 4.12Å; V231-L257 HydrophobicContact CG2-CD1 4.44Å; V236-L257 HydrophobicContact CB-CD1 4.32Å; V236-L257 HydrophobicContact CG2-CD1 3.53Å; L253-L257 HydrophobicContact CD2-CD1 4.5Å; L253-L257 WeakPolarHBondContact O-CB 3.4Å; L253-L257 PolarHBondContact O-N 3.4Å; N254-L257 VanDerWaalsContact O-O 3.13Å; L257-Q261 HydrophobicContact CB-CB 4.32Å; L257-V262 HydrophobicContact CB-CG2 3.97Å; L257-V262 HydrophobicContact CD1-CG2 4.25Å
258	N	83.8	Confident	82.9	Confident	113 Å²	113	30 Å²	30	60%	0.604	15%	0.147	S	C	*	.			trans	-71.6	151.2	174.4	-63.1	-38.5	0	0	0	111.4	E260 Q261 V262	N258-E260 PolarHBondContact O-N 3.14Å; N258-E260 VanDerWaalsContact O-N 3.1Å; N258-Q261 HydrophobicContact CB-CG 4.28Å; N258-Q261 VanDerWaalsContact N-OE1 3.15Å; N258-Q261 PolarHBondContact ND2-OE1 3.45Å; N258-Q261 WeakPolarHBondContact O-CB 3.39Å; N258-Q261 PolarHBondContact O-N 3.38Å; N258-V262 PolarHBondContact O-N 2.9Å
259	Q	77.6	Confident	82.1	Confident	119 Å²	119	30.9 Å²	30.9	56%	0.556	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.1	-180	-69.8	-178	-3.2	0	0	113.7
260	E	77.9	Confident	81.5	Confident	173 Å²	173	31 Å²	31	81%	0.808	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-20.4	179.8	-59.7	-172.2	174.1	0	0	113.4	N258	N258-E260 PolarHBondContact O-N 3.14Å; N258-E260 VanDerWaalsContact O-N 3.1Å
261	Q	82.3	Confident	81.2	Confident	22 Å²	22	31.7 Å²	31.7	10%	0.103	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-31.8	178.5	-67	179.5	-78.5	0	0	111.6	G232 A233 S234 K235 V236 L257 N258	G232-Q261 PolarHBondContact O-NE2 3.3Å; A233-Q261 PolarHBondContact O-NE2 3.06Å; S234-Q261 PolarHBondContact O-NE2 2.9Å; S234-Q261 VanDerWaalsContact O-NE2 3.11Å; K235-Q261 CarbonylContact C-O 3.53Å; K235-Q261 WeakPolarHBondContact CA-O 3.34Å; V236-Q261 PolarHBondContact N-O 3.07Å; L257-Q261 HydrophobicContact CB-CB 4.32Å; N258-Q261 HydrophobicContact CB-CG 4.28Å; N258-Q261 VanDerWaalsContact N-OE1 3.15Å; N258-Q261 PolarHBondContact ND2-OE1 3.45Å; N258-Q261 WeakPolarHBondContact O-CB 3.39Å; N258-Q261 PolarHBondContact O-N 3.38Å
262	V	83.8	Confident	80.9	Confident	10 Å²	10	31.7 Å²	31.7	6%	0.061	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.8	-176.7	-174.7	0	0	0	0	110.3	L253 L257 N258	L253-V262 HydrophobicContact CB-CG1 4.28Å; L253-V262 HydrophobicContact CB-CG2 4.15Å; L257-V262 HydrophobicContact CB-CG2 3.97Å; L257-V262 HydrophobicContact CD1-CG2 4.25Å; N258-V262 PolarHBondContact O-N 2.9Å
263	I	80.8	Confident	80.7	Confident	2 Å²	2	33 Å²	33	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	103.2	174.9	-56.9	175.7	0	0	0	108.1	K235 V236 L237 V238 V265 K292 M352 L354	K235-I263 HydrophobicContact CD-CD1 4.18Å; V236-I263 PolarHBondContact O-N 2.9Å; L237-I263 CarbonylContact C-O 3.55Å; L237-I263 WeakPolarHBondContact CA-O 3.17Å; L237-I263 HydrophobicContact CD1-CB 3.93Å; L237-I263 HydrophobicContact CD1-CG2 3.61Å; V238-I263 PolarHBondContact N-O 2.92Å; I263-V265 HydrophobicContact CG2-CG2 4.19Å; I263-K292 HydrophobicContact CG2-CD 3.95Å; I263-K292 HydrophobicContact CG2-CG 4.38Å; I263-M352 HydrophobicContact CG2-SD 4.1Å; I263-L354 HydrophobicContact CD1-CD1 3.96Å; I263-L354 HydrophobicContact CD1-CD2 4.12Å
264	A	81.9	Confident	80.5	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123	174	0	0	0	0	0	110.7	V238 T250 I289 L291 K292	V238-A264 HydrophobicContact CG1-CB 3.69Å; T250-A264 HydrophobicContact CG2-CB 3.77Å; A264-I289 HydrophobicContact CB-CG2 4.48Å; A264-L291 HydrophobicContact CB-CD2 3.62Å; A264-K292 PolarHBondContact O-N 3.17Å
265	V	77.3	Confident	80.3	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120	177.6	177.8	0	0	0	0	108.9	L237 V238 L239 L240 I263 I267 V348 M352	L237-V265 HydrophobicContact CD1-CG2 3.77Å; V238-V265 PolarHBondContact O-N 2.7Å; L239-V265 CarbonylContact C-O 3.55Å; L239-V265 HydrophobicContact CD2-CB 4.34Å; L240-V265 PolarHBondContact N-O 3.35Å; I263-V265 HydrophobicContact CG2-CG2 4.19Å; V265-I267 HydrophobicContact CG1-CG1 4.16Å; V265-V348 HydrophobicContact CG1-CG1 4.05Å; V265-V348 HydrophobicContact CG2-CG1 4.08Å; V265-M352 HydrophobicContact CG2-CE 4.07Å
266	H	79.1	Confident	80	Confident	9 Å²	9	40.9 Å²	40.9	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.9	172.7	-175.3	51	0	0	0	110.5	L240 S277	L240-H266 HydrophobicContact CB-CB 4.31Å; L240-H266 HydrophobicContact CD2-CB 4.21Å; L240-H266 WeakPolarHBondContact O-CA 3.01Å; L240-H266 PolarHBondContact O-ND1 3.43Å; H266-S277 WeakPolarHBondContact NE2-CB 3.47Å; H266-S277 PolarHBondContact NE2-OG 3.18Å
267	I	70.8	Confident	79.7	Confident	5 Å²	5	40.9 Å²	40.9	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	112.4	175.4	-58.3	175	0	0	0	107.7	V265 N269 A297 V344 A345	V265-I267 HydrophobicContact CG1-CG1 4.16Å; I267-N269 PolarHBondContact O-N 3.3Å; I267-A297 HydrophobicContact CG2-CB 3.92Å; I267-V344 HydrophobicContact CD1-CG1 4.25Å; I267-V344 HydrophobicContact CG2-CG1 4.3Å; I267-A345 HydrophobicContact CD1-CB 4.09Å
268	D	72.2	Confident	79.4	Confident	16 Å²	16	43.7 Å²	43.7	9%	0.086	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	107.9	172	-172	-9	0	0	0	108.3	G270 R294 K295 A297	D268-G270 PolarHBondContact O-N 3.42Å; D268-G270 PolarHBondContact OD1-N 2.82Å; D268-R294 HydrophobicContact CB-CG 4.12Å; D268-K295 PolarHBondContact N-O 3.11Å; D268-K295 VanDerWaalsContact N-O 3.14Å; D268-A297 PolarHBondContact O-N 3.15Å
269	N	70.8	Confident	79.4	Confident	21 Å²	21	40.1 Å²	40.1	11%	0.112	19%	0.186	C	C	.	.			trans	-75	-4.2	178.2	65.1	2	0	0	0	113	I267 F271 G438	I267-N269 PolarHBondContact O-N 3.3Å; N269-F271 VanDerWaalsContact C-N 3.26Å; N269-F271 HydrophobicContact CB-CD2 4.41Å; N269-F271 WeakPolarHBondContact O-CD2 3.46Å; N269-F271 PolarHBondContact O-N 2.89Å; N269-F271 PolarHBondContact OD1-N 3.03Å; N269-G438 PolarHBondContact ND2-O 3.18Å
270	G	74.1	Confident	79.6	Confident	3 Å²	3	34.5 Å²	34.5	3%	0.031	16%	0.161	C	C	.	.	S	Bend	trans	80.4	2.8	-178	0	0	0	0	0	114.5	D268 R587	D268-G270 PolarHBondContact O-N 3.42Å; D268-G270 PolarHBondContact OD1-N 2.82Å; G270-R587 PolarHBondContact O-NH2 2.87Å
271	F	80	Confident	79.8	Confident	14 Å²	14	29 Å²	29	6%	0.061	14%	0.135	C	C	.	.			trans	-114	12.1	177.4	-59.7	-70.9	0	0	0	113.4	N269 P439 L441 L578 L583	N269-F271 VanDerWaalsContact C-N 3.26Å; N269-F271 HydrophobicContact CB-CD2 4.41Å; N269-F271 WeakPolarHBondContact O-CD2 3.46Å; N269-F271 PolarHBondContact O-N 2.89Å; N269-F271 PolarHBondContact OD1-N 3.03Å; F271-P439 WeakPolarHBondContact CB-O 3.29Å; F271-L441 HydrophobicContact CB-CB 4.38Å; F271-L441 WeakPolarHBondContact O-CB 3.49Å; F271-L441 WeakPolarHBondContact O-CG 3.46Å; F271-L441 PolarHBondContact O-N 2.77Å; F271-L578 HydrophobicContact CE1-CB 4.28Å; F271-L578 HydrophobicContact CE1-CD1 4.13Å; F271-L578 HydrophobicContact CE1-CD2 4.34Å; F271-L578 HydrophobicContact CE1-CG 4.49Å; F271-L578 HydrophobicContact CZ-CD1 4.15Å; F271-L583 HydrophobicContact CD1-CD1 3.85Å; F271-L583 HydrophobicContact CD1-CD2 3.82Å; F271-L583 HydrophobicContact CE1-CD1 3.68Å; F271-L583 HydrophobicContact CE1-CD2 4.05Å; F271-L583 HydrophobicContact CE1-CG 4.48Å
272	M	81.8	Confident	80	Confident	6 Å²	6	33.3 Å²	33.3	3%	0.03	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-72.3	159.7	175.9	-55.6	-55.9	-74	0	0	112.5	S241 F435 R587	S241-M272 WeakPolarHBondContact O-CE 3.2Å; M272-F435 HydrophobicContact CE-CE1 4.42Å; M272-F435 HydrophobicContact SD-CE1 4.08Å; M272-R587 PolarHBondContact O-NE 3.21Å; M272-R587 PolarHBondContact O-NH2 3Å; M272-R587 VanDerWaalsContact O-NH2 3.11Å
273	R	84.9	Confident	79.9	Confident	28 Å²	28	33.1 Å²	33.1	11%	0.106	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-71.5	164.5	174.6	-59.6	178.6	-89.1	-164	-4.7	111.6	R275 E276 F435 D590	R273-R275 PolarHBondContact O-N 3.38Å; R273-E276 HydrophobicContact CB-CB 4.15Å; R273-E276 WeakPolarHBondContact CB-OE2 3.45Å; R273-E276 WeakPolarHBondContact CG-OE2 3.07Å; R273-E276 IonicContact CZ-OE1 3.49Å; R273-E276 IonicContact CZ-OE2 3.65Å; R273-E276 PolarHBondContact N-OE2 3.46Å; R273-E276 IonicContact NE-OE1 2.67Å; R273-E276 PolarHBondContact NE-OE1 3.2Å; R273-E276 IonicContact NE-OE2 3.03Å; R273-E276 PolarHBondContact NE-OE2 2.84Å; R273-E276 IonicContact NH2-OE1 3.43Å; R273-E276 PolarHBondContact NH2-OE1 3.42Å; R273-E276 IonicContact NH2-OE2 2.66Å; R273-E276 PolarHBondContact O-N 3.46Å; R273-F435 HydrophobicContact CG-CD2 4.25Å; R273-F435 HydrophobicContact CG-CE2 3.63Å; R273-F435 HydrophobicContact CG-CZ 4.03Å; R273-D590 WeakPolarHBondContact CD-OD2 3.36Å; R273-D590 WeakPolarHBondContact CG-OD2 3.4Å
274	K	84.4	Confident	80	Confident	85 Å²	85	33 Å²	33	37%	0.37	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	121.6	-174.6	-172.4	168.1	178.1	169	0	111.4	E276 F591	K274-E276 PolarHBondContact O-N 3.35Å; K274-E276 VanDerWaalsContact O-N 3.12Å; K274-F591 HydrophobicContact CB-CB 4.17Å; K274-F591 HydrophobicContact CB-CD2 4.24Å; K274-F591 HydrophobicContact CB-CG 4.41Å; K274-F591 HydrophobicContact CD-CB 4.25Å; K274-F591 HydrophobicContact CD-CD2 4.46Å; K274-F591 HydrophobicContact CD-CG 4.15Å
275	R	82	Confident	80.1	Confident	190 Å²	190	37 Å²	37	72%	0.717	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	15.2	-179.3	-61.7	-176.6	173.7	178.8	-2.6	114.9	R273 L278 S279	R273-R275 PolarHBondContact O-N 3.38Å; R275-L278 HydrophobicContact CG-CD1 4.38Å; R275-L278 PolarHBondContact O-N 3.28Å; R275-S279 PolarHBondContact O-N 2.98Å; R275-S279 VanDerWaalsContact O-N 3.09Å
276	E	79.8	Confident	80.4	Confident	16 Å²	16	45 Å²	45	8%	0.075	21%	0.213	C	C	.	.	H	α-helix	trans	-67.5	-50.3	-177.2	-168.5	170.6	-161.5	0	0	111.4	R273 K274 L278 S279 V280 R432	R273-E276 HydrophobicContact CB-CB 4.15Å; R273-E276 WeakPolarHBondContact CB-OE2 3.45Å; R273-E276 WeakPolarHBondContact CG-OE2 3.07Å; R273-E276 IonicContact CZ-OE1 3.49Å; R273-E276 IonicContact CZ-OE2 3.65Å; R273-E276 PolarHBondContact N-OE2 3.46Å; R273-E276 IonicContact NE-OE1 2.67Å; R273-E276 PolarHBondContact NE-OE1 3.2Å; R273-E276 IonicContact NE-OE2 3.03Å; R273-E276 PolarHBondContact NE-OE2 2.84Å; R273-E276 IonicContact NH2-OE1 3.43Å; R273-E276 PolarHBondContact NH2-OE1 3.42Å; R273-E276 IonicContact NH2-OE2 2.66Å; R273-E276 PolarHBondContact O-N 3.46Å; K274-E276 PolarHBondContact O-N 3.35Å; K274-E276 VanDerWaalsContact O-N 3.12Å; E276-L278 VanDerWaalsContact C-N 3.3Å; E276-L278 PolarHBondContact O-N 3.39Å; E276-S279 PolarHBondContact O-N 2.62Å; E276-V280 WeakPolarHBondContact O-CG2 3.3Å; E276-V280 PolarHBondContact O-N 2.65Å; E276-R432 IonicContact OE1-NH1 3.24Å
277	S	80.7	Confident	80.3	Confident	5 Å²	5	47.3 Å²	47.3	4%	0.035	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-38	177.4	-59.5	0	0	0	0	113.1	H266 V280 E281 R294	H266-S277 WeakPolarHBondContact NE2-CB 3.47Å; H266-S277 PolarHBondContact NE2-OG 3.18Å; S277-V280 PolarHBondContact O-N 2.76Å; S277-E281 VanDerWaalsContact O-CB 3.32Å; S277-E281 WeakPolarHBondContact O-CB 3.31Å; S277-E281 PolarHBondContact O-N 3.35Å; S277-R294 PolarHBondContact O-NH2 3.09Å
278	L	82.4	Confident	80.5	Confident	75 Å²	75	48.5 Å²	48.5	39%	0.393	24%	0.238	S	C	.	.	H	α-helix	trans	-65.8	-45.3	177.6	-72.6	167.3	0	0	0	110.8	R275 E276 V280 E281 E282 R294	R275-L278 HydrophobicContact CG-CD1 4.38Å; R275-L278 PolarHBondContact O-N 3.28Å; E276-L278 VanDerWaalsContact C-N 3.3Å; E276-L278 PolarHBondContact O-N 3.39Å; L278-V280 VanDerWaalsContact C-N 3.32Å; L278-V280 PolarHBondContact O-N 3.29Å; L278-E281 PolarHBondContact O-N 2.87Å; L278-E282 WeakPolarHBondContact O-CB 3.23Å; L278-E282 WeakPolarHBondContact O-CG 3.42Å; L278-E282 PolarHBondContact O-N 3.22Å; L278-R294 VanDerWaalsContact CA-NH2 3.28Å; L278-R294 VanDerWaalsContact CD2-NH2 3.25Å
279	S	82.8	Confident	80.6	Confident	38 Å²	38	48 Å²	48	27%	0.266	24%	0.236	S	C	.	.	H	α-helix	trans	-61.9	-38.7	177.8	166.6	0	0	0	0	112.6	R275 E276 A283 R432	R275-S279 PolarHBondContact O-N 2.98Å; R275-S279 VanDerWaalsContact O-N 3.09Å; E276-S279 PolarHBondContact O-N 2.62Å; S279-A283 WeakPolarHBondContact O-CB 3.45Å; S279-A283 PolarHBondContact O-N 2.68Å; S279-R432 PolarHBondContact OG-NH2 3.16Å
280	V	82	Confident	80.4	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-67.1	-43.4	176.4	175.9	0	0	0	0	110.8	L240 T247 E276 S277 L278 A283 L284	L240-V280 HydrophobicContact CD2-CG1 3.94Å; T247-V280 HydrophobicContact CG2-CG1 4.33Å; E276-V280 WeakPolarHBondContact O-CG2 3.3Å; E276-V280 PolarHBondContact O-N 2.65Å; S277-V280 PolarHBondContact O-N 2.76Å; L278-V280 VanDerWaalsContact C-N 3.32Å; L278-V280 PolarHBondContact O-N 3.29Å; V280-A283 PolarHBondContact O-N 3.14Å; V280-L284 HydrophobicContact CG1-CD1 3.92Å; V280-L284 HydrophobicContact CG1-CG 4.44Å; V280-L284 WeakPolarHBondContact O-CB 3.46Å; V280-L284 WeakPolarHBondContact O-CG 3.43Å; V280-L284 PolarHBondContact O-N 3.37Å
281	E	82.8	Confident	79.9	Confident	58 Å²	58	56.4 Å²	56.4	27%	0.271	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-45.3	177.3	169.5	169.1	-158.7	0	0	112.4	S277 L278 A283 L284 T285 L291 R294	S277-E281 VanDerWaalsContact O-CB 3.32Å; S277-E281 WeakPolarHBondContact O-CB 3.31Å; S277-E281 PolarHBondContact O-N 3.35Å; L278-E281 PolarHBondContact O-N 2.87Å; E281-A283 PolarHBondContact O-N 3.48Å; E281-L284 PolarHBondContact O-N 3.12Å; E281-T285 VanDerWaalsContact O-CB 3.31Å; E281-T285 WeakPolarHBondContact O-CB 3.45Å; E281-T285 PolarHBondContact O-N 3.5Å; E281-T285 PolarHBondContact O-OG1 3.3Å; E281-L291 HydrophobicContact CB-CD1 3.68Å; E281-L291 HydrophobicContact CG-CD1 3.63Å; E281-R294 IonicContact OE2-CZ 2.79Å; E281-R294 IonicContact OE2-NE 3.53Å; E281-R294 IonicContact OE2-NH2 3.46Å; E281-R294 PolarHBondContact OE2-NH2 3.4Å
282	E	84.7	Confident	78.9	Confident	112 Å²	112	61.9 Å²	61.9	52%	0.523	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-41.6	174.8	-73.6	172.4	-168.2	0	0	112.2	L278 T285 K286	L278-E282 WeakPolarHBondContact O-CB 3.23Å; L278-E282 WeakPolarHBondContact O-CG 3.42Å; L278-E282 PolarHBondContact O-N 3.22Å; E282-T285 PolarHBondContact O-N 2.85Å; E282-K286 WeakPolarHBondContact O-CB 3.29Å; E282-K286 VanDerWaalsContact O-CG 3.28Å; E282-K286 WeakPolarHBondContact O-CG 3.22Å; E282-K286 PolarHBondContact O-N 2.95Å
283	A	83.3	Confident	77.3	Confident	6 Å²	6	63.2 Å²	63.2	5%	0.05	31%	0.311	C	S	.	.	H	α-helix	trans	-66.6	-42.6	178.7	0	0	0	0	0	112.3	S279 V280 E281 K286 L287 P426 I429	S279-A283 WeakPolarHBondContact O-CB 3.45Å; S279-A283 PolarHBondContact O-N 2.68Å; V280-A283 PolarHBondContact O-N 3.14Å; E281-A283 PolarHBondContact O-N 3.48Å; A283-K286 PolarHBondContact O-N 3Å; A283-L287 WeakPolarHBondContact O-CG 3.38Å; A283-L287 PolarHBondContact O-N 3.13Å; A283-P426 HydrophobicContact CB-CG 4.03Å; A283-I429 HydrophobicContact CB-CD1 3.24Å
284	L	82.7	Confident	75.6	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-68.6	-38.9	176.7	-71	173.6	0	0	0	111.7	L240 T247 T250 V280 E281 K286 L287 G288 I289 L291 L425	L240-L284 HydrophobicContact CD1-CD1 4.1Å; L240-L284 HydrophobicContact CD2-CD1 3.29Å; L240-L284 HydrophobicContact CG-CD1 4.35Å; T247-L284 HydrophobicContact CG2-CD1 4.47Å; T247-L284 HydrophobicContact CG2-CD2 3.88Å; T247-L284 HydrophobicContact CG2-CG 4.25Å; T250-L284 HydrophobicContact CG2-CD2 4.47Å; V280-L284 HydrophobicContact CG1-CD1 3.92Å; V280-L284 HydrophobicContact CG1-CG 4.44Å; V280-L284 WeakPolarHBondContact O-CB 3.46Å; V280-L284 WeakPolarHBondContact O-CG 3.43Å; V280-L284 PolarHBondContact O-N 3.37Å; E281-L284 PolarHBondContact O-N 3.12Å; L284-K286 VanDerWaalsContact C-N 3.33Å; L284-K286 PolarHBondContact O-N 3.14Å; L284-L287 CarbonylContact O-C 3.51Å; L284-L287 WeakPolarHBondContact O-CA 3.24Å; L284-L287 WeakPolarHBondContact O-CB 3.35Å; L284-L287 PolarHBondContact O-N 2.92Å; L284-G288 PolarHBondContact O-N 3.43Å; L284-I289 HydrophobicContact CB-CB 4.18Å; L284-I289 HydrophobicContact CB-CD1 4.45Å; L284-I289 HydrophobicContact CB-CG2 4.48Å; L284-I289 HydrophobicContact CD2-CD1 3.54Å; L284-I289 WeakPolarHBondContact O-CB 3.48Å; L284-I289 PolarHBondContact O-N 3.27Å; L284-L291 HydrophobicContact CB-CD1 4.37Å; L284-L291 HydrophobicContact CD1-CD1 4.32Å; L284-L291 HydrophobicContact CD1-CD2 4.37Å; L284-L425 HydrophobicContact CD2-CD2 4.4Å
285	T	83.9	Confident	73.8	Confident	82 Å²	82	63.8 Å²	63.8	50%	0.503	31%	0.312	S	S	.	.	H	α-helix	trans	-63.5	-39.8	176.4	-55.8	0	0	0	0	111.4	E281 E282 L287 G288	E281-T285 VanDerWaalsContact O-CB 3.31Å; E281-T285 WeakPolarHBondContact O-CB 3.45Å; E281-T285 PolarHBondContact O-N 3.5Å; E281-T285 PolarHBondContact O-OG1 3.3Å; E282-T285 PolarHBondContact O-N 2.85Å; T285-L287 PolarHBondContact O-N 3.18Å; T285-G288 PolarHBondContact O-N 2.96Å
286	K	83.6	Confident	72	Confident	175 Å²	175	61 Å²	61	76%	0.761	31%	0.307	S	S	*	.	H	α-helix	trans	-61.5	-28.7	173.4	-76.6	172.3	-177.5	175.7	0	113.1	E282 A283 L284 G288	E282-K286 WeakPolarHBondContact O-CB 3.29Å; E282-K286 VanDerWaalsContact O-CG 3.28Å; E282-K286 WeakPolarHBondContact O-CG 3.22Å; E282-K286 PolarHBondContact O-N 2.95Å; A283-K286 PolarHBondContact O-N 3Å; L284-K286 VanDerWaalsContact C-N 3.33Å; L284-K286 PolarHBondContact O-N 3.14Å; K286-G288 PolarHBondContact O-N 2.77Å
287	L	77.4	Confident	70.1	Confident	56 Å²	56	61.1 Å²	61.1	29%	0.293	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	5	174.2	-67.3	171.5	0	0	0	113.3	A283 L284 T285 I289 L425	A283-L287 WeakPolarHBondContact O-CG 3.38Å; A283-L287 PolarHBondContact O-N 3.13Å; L284-L287 CarbonylContact O-C 3.51Å; L284-L287 WeakPolarHBondContact O-CA 3.24Å; L284-L287 WeakPolarHBondContact O-CB 3.35Å; L284-L287 PolarHBondContact O-N 2.92Å; T285-L287 PolarHBondContact O-N 3.18Å; L287-I289 HydrophobicContact CB-CD1 4.2Å; L287-I289 HydrophobicContact CB-CG1 4.49Å; L287-L425 HydrophobicContact CD1-CD2 3.48Å; L287-L425 VanDerWaalsContact CD1-CD2 3.48Å; L287-L425 HydrophobicContact CD1-CG 4.04Å
288	G	73.4	Confident	67.8	Low	30 Å²	30	65.4 Å²	65.4	31%	0.309	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	13.3	179.9	0	0	0	0	0	114.3	L284 T285 K286	L284-G288 PolarHBondContact O-N 3.43Å; T285-G288 PolarHBondContact O-N 2.96Å; K286-G288 PolarHBondContact O-N 2.77Å
289	I	74.9	Confident	65.3	Low	6 Å²	6	65.1 Å²	65.1	3%	0.031	33%	0.333	C	S	.	.			trans	-88.5	113	179.2	-60.3	163.3	0	0	0	108.5	T250 A251 N254 A264 L284 L287 L291	T250-I289 HydrophobicContact CG2-CD1 4.39Å; T250-I289 HydrophobicContact CG2-CG2 3.96Å; A251-I289 HydrophobicContact CB-CD1 4.49Å; N254-I289 HydrophobicContact CB-CD1 3.92Å; N254-I289 HydrophobicContact CB-CG1 3.71Å; N254-I289 VanDerWaalsContact CG-CG1 3.42Å; N254-I289 VanDerWaalsContact ND2-CG1 3.29Å; N254-I289 WeakPolarHBondContact ND2-CG1 3.05Å; A264-I289 HydrophobicContact CB-CG2 4.48Å; L284-I289 HydrophobicContact CB-CB 4.18Å; L284-I289 HydrophobicContact CB-CD1 4.45Å; L284-I289 HydrophobicContact CB-CG2 4.48Å; L284-I289 HydrophobicContact CD2-CD1 3.54Å; L284-I289 WeakPolarHBondContact O-CB 3.48Å; L284-I289 PolarHBondContact O-N 3.27Å; L287-I289 HydrophobicContact CB-CD1 4.2Å; L287-I289 HydrophobicContact CB-CG1 4.49Å; I289-L291 PolarHBondContact O-N 3.17Å
290	K	66.1	Low	62.6	Low	170 Å²	170	65.8 Å²	65.8	74%	0.739	34%	0.338	S	S	*	.			trans	-80.3	112.7	175.9	-71.5	-176.9	-178.2	174.6	0	110.3
291	L	64.5	Low	59.8	Low	30 Å²	30	70.8 Å²	70.8	16%	0.157	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.6	170.2	-70.7	162	0	0	0	109.3	L240 A264 E281 L284 I289 G293	L240-L291 HydrophobicContact CD2-CD2 3.87Å; A264-L291 HydrophobicContact CB-CD2 3.62Å; E281-L291 HydrophobicContact CB-CD1 3.68Å; E281-L291 HydrophobicContact CG-CD1 3.63Å; L284-L291 HydrophobicContact CB-CD1 4.37Å; L284-L291 HydrophobicContact CD1-CD1 4.32Å; L284-L291 HydrophobicContact CD1-CD2 4.37Å; I289-L291 PolarHBondContact O-N 3.17Å; L291-G293 PolarHBondContact O-N 3.24Å; L291-G293 VanDerWaalsContact O-N 3.12Å
292	K	58.5	Low	57.1	Low	129 Å²	129	72 Å²	72	56%	0.561	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	12.9	-177.8	-79.5	-158.7	-177.5	176.9	0	114.5	I263 A264 M352	I263-K292 HydrophobicContact CG2-CD 3.95Å; I263-K292 HydrophobicContact CG2-CG 4.38Å; A264-K292 PolarHBondContact O-N 3.17Å; K292-M352 HydrophobicContact CB-CE 3.89Å; K292-M352 HydrophobicContact CD-CE 4.1Å; K292-M352 HydrophobicContact CD-SD 4.34Å
293	G	49.7	Very low	54.1	Low	34 Å²	34	73 Å²	73	35%	0.351	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	125.6	151.7	170.3	0	0	0	0	0	113.9	L291	L291-G293 PolarHBondContact O-N 3.24Å; L291-G293 VanDerWaalsContact O-N 3.12Å
294	R	47.3	Very low	51.2	Low	61 Å²	61	78.3 Å²	78.3	23%	0.23	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.7	171	-174.5	-175.9	-70.8	-175.4	5.1	108.9	D268 S277 L278 E281	D268-R294 HydrophobicContact CB-CG 4.12Å; S277-R294 PolarHBondContact O-NH2 3.09Å; L278-R294 VanDerWaalsContact CA-NH2 3.28Å; L278-R294 VanDerWaalsContact CD2-NH2 3.25Å; E281-R294 IonicContact OE2-CZ 2.79Å; E281-R294 IonicContact OE2-NE 3.53Å; E281-R294 IonicContact OE2-NH2 3.46Å; E281-R294 PolarHBondContact OE2-NH2 3.4Å
295	K	48.5	Very low	48.5	Very low	64 Å²	64	81.4 Å²	81.4	28%	0.278	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.9	166.8	-69.4	-159	-176.1	177.9	0	109.4	D268 A297 V348 E351	D268-K295 PolarHBondContact N-O 3.11Å; D268-K295 VanDerWaalsContact N-O 3.14Å; K295-A297 PolarHBondContact O-N 3.27Å; K295-V348 HydrophobicContact CD-CG2 3.62Å; K295-E351 IonicContact NZ-OE1 2.8Å; K295-E351 PolarHBondContact NZ-OE1 3.36Å; K295-E351 IonicContact NZ-OE2 2.62Å; K295-E351 PolarHBondContact NZ-OE2 3.05Å
296	H	42.3	Very low	45.9	Very low	131 Å²	131	86.3 Å²	86.3	61%	0.606	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	104.6	173.2	-66.7	80.5	0	0	0	107.6	F298	H296-F298 PolarHBondContact O-N 2.99Å
297	A	40.9	Very low	43.1	Very low	19 Å²	19	87.2 Å²	87.2	16%	0.157	49%	0.485	C	S	.	.			trans	-89.6	61.8	172.4	0	0	0	0	0	108.9	I267 D268 K295 S299 V344	I267-A297 HydrophobicContact CG2-CB 3.92Å; D268-A297 PolarHBondContact O-N 3.15Å; K295-A297 PolarHBondContact O-N 3.27Å; A297-S299 VanDerWaalsContact C-N 3.32Å; A297-S299 PolarHBondContact O-N 3.44Å; A297-S299 VanDerWaalsContact O-N 3.1Å; A297-V344 HydrophobicContact CB-CG1 4.38Å; A297-V344 HydrophobicContact CB-CG2 3.92Å
298	F	33	Very low	40.6	Very low	96 Å²	96	91.3 Å²	91.3	42%	0.421	51%	0.512	S	S	.	.			trans	-83.9	78.3	175.2	-139.3	-84	0	0	0	108.9	H296 C300 T580 L583	H296-F298 PolarHBondContact O-N 2.99Å; F298-C300 HydrophobicContact CD1-CB 4.24Å; F298-C300 HydrophobicContact CE1-CB 4.05Å; F298-C300 PolarHBondContact O-N 2.9Å; F298-T580 HydrophobicContact CE1-CG2 3.84Å; F298-T580 HydrophobicContact CZ-CG2 3.79Å; F298-L583 HydrophobicContact CZ-CD1 4.3Å
299	S	28.8	Very low	38.6	Very low	69 Å²	69	97.9 Å²	97.9	48%	0.483	53%	0.533	S	S	.	.			trans	-97.4	58.3	171.2	82.5	0	0	0	0	111	A297 S301 S340	A297-S299 VanDerWaalsContact C-N 3.32Å; A297-S299 PolarHBondContact O-N 3.44Å; A297-S299 VanDerWaalsContact O-N 3.1Å; S299-S301 VanDerWaalsContact C-N 3.31Å; S299-S301 PolarHBondContact O-N 3.35Å; S299-S340 PolarHBondContact OG-OG 3.14Å; S299-S340 VanDerWaalsContact OG-OG 3.05Å
300	C	26.5	Very low	36.3	Very low	52 Å²	52	106.3 Å²	106.3	35%	0.351	57%	0.572	S	S	.	*			trans	-92.5	76.2	162.2	-152.1	0	0	0	0	107.4	F298 V302 L578	F298-C300 HydrophobicContact CD1-CB 4.24Å; F298-C300 HydrophobicContact CE1-CB 4.05Å; F298-C300 PolarHBondContact O-N 2.9Å; C300-V302 PolarHBondContact O-N 2.95Å; C300-L578 PolarHBondContact SG-O 3.22Å; C300-L578 VanDerWaalsContact SG-O 3.38Å
301	S	23.4	Very low	34.4	Very low	107 Å²	107	106 Å²	106	75%	0.748	58%	0.578	S	S	*	*			trans	-72.5	70.1	168.9	-49.8	0	0	0	0	108.6	S299 V303	S299-S301 VanDerWaalsContact C-N 3.31Å; S299-S301 PolarHBondContact O-N 3.35Å; S301-V303 VanDerWaalsContact C-N 3.31Å; S301-V303 PolarHBondContact O-N 2.8Å
302	V	25.1	Very low	32.7	Very low	83 Å²	83	110.4 Å²	110.4	50%	0.503	60%	0.596	S	S	.	*			trans	-75.9	98.9	155.7	-173.7	0	0	0	0	104.4	C300 T304	C300-V302 PolarHBondContact O-N 2.95Å; V302-T304 HydrophobicContact CG1-CG2 3.95Å; V302-T304 PolarHBondContact O-N 3.38Å
303	V	21.9	Very low	31.1	Very low	132 Å²	132	108.6 Å²	108.6	80%	0.8	61%	0.605	S	S	*	*			trans	-66.1	83.6	166.8	-179.5	0	0	0	0	106.4	S301 G305	S301-V303 VanDerWaalsContact C-N 3.31Å; S301-V303 PolarHBondContact O-N 2.8Å; V303-G305 PolarHBondContact O-N 2.93Å
304	T	23.3	Very low	30.1	Very low	119 Å²	119	114.7 Å²	114.7	73%	0.73	63%	0.63	S	S	*	*			trans	-76	106.1	156.2	46.1	0	0	0	0	105.4	V302 E306	V302-T304 HydrophobicContact CG1-CG2 3.95Å; V302-T304 PolarHBondContact O-N 3.38Å; T304-E306 PolarHBondContact O-N 2.6Å
305	G	25.5	Very low	29.2	Very low	64 Å²	64	115.9 Å²	115.9	66%	0.66	64%	0.641	S	S	*	*			trans	-58.7	128.3	-178.6	0	0	0	0	0	111.3	V303	V303-G305 PolarHBondContact O-N 2.93Å
306	E	30.1	Very low	28.1	Very low	186 Å²	186	118.1 Å²	118.1	87%	0.869	65%	0.651	S	S	*	*			trans	171.7	89.6	135.1	-96.3	177.3	-172.6	0	0	106.1	T304	T304-E306 PolarHBondContact O-N 2.6Å
307	E	25.2	Very low	27.3	Very low	193 Å²	193	123 Å²	123	90%	0.902	66%	0.664	S	S	*	*	S	Bend	trans	-167	109.7	151.9	-105.5	163.9	-151.2	0	0	110.1
308	T	24.6	Very low	26.7	Very low	142 Å²	142	128.9 Å²	128.9	87%	0.871	69%	0.692	S	S	*	*			trans	32.8	106.3	162.2	50.6	0	0	0	0	120.2
309	F	31.3	Very low	26.4	Very low	169 Å²	169	127.7 Å²	127.7	74%	0.741	69%	0.689	S	S	*	*			trans	-65.5	128	163.2	-107	-110.8	0	0	0	111.8
310	E	26.2	Very low	26.1	Very low	183 Å²	183	134.3 Å²	134.3	86%	0.855	70%	0.704	S	S	*	*	S	Bend	trans	-162.8	-11.4	131.7	-113.6	143.9	-166.6	0	0	117.4
311	D	26.8	Very low	26	Very low	162 Å²	162	141 Å²	141	87%	0.866	73%	0.727	S	S	*	*	S	Bend	trans	-108.1	28.3	-178.6	-79.7	-28.8	0	0	0	116.3
312	F	28.7	Very low	26.2	Very low	123 Å²	123	140.3 Å²	140.3	54%	0.539	72%	0.718	S	S	.	*			trans	-111.4	24.1	-172.8	-95.8	-106.4	0	0	0	116.4	N314 L315	F312-N314 PolarHBondContact O-N 3.05Å; F312-L315 HydrophobicContact CD1-CB 3.86Å; F312-L315 HydrophobicContact CD1-CD2 3.71Å; F312-L315 HydrophobicContact CD1-CG 4.43Å; F312-L315 HydrophobicContact CE1-CB 4.23Å; F312-L315 HydrophobicContact CE1-CD2 3.22Å; F312-L315 HydrophobicContact CE1-CG 4.34Å; F312-L315 HydrophobicContact CZ-CD2 4.2Å
313	A	25.2	Very low	26.2	Very low	91 Å²	91	140.9 Å²	140.9	75%	0.752	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-29.1	179.4	0	0	0	0	0	113.9
314	N	27.5	Very low	26.2	Very low	162 Å²	162	144 Å²	144	87%	0.866	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-18.9	-176.1	-74.5	-25.9	0	0	0	114.5	F312	F312-N314 PolarHBondContact O-N 3.05Å
315	L	28.5	Very low	26.1	Very low	86 Å²	86	143.2 Å²	143.2	45%	0.45	72%	0.715	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	-23.1	178.2	-155.9	74.7	0	0	0	112.8	F312 R317 L318 L319	F312-L315 HydrophobicContact CD1-CB 3.86Å; F312-L315 HydrophobicContact CD1-CD2 3.71Å; F312-L315 HydrophobicContact CD1-CG 4.43Å; F312-L315 HydrophobicContact CE1-CB 4.23Å; F312-L315 HydrophobicContact CE1-CD2 3.22Å; F312-L315 HydrophobicContact CE1-CG 4.34Å; F312-L315 HydrophobicContact CZ-CD2 4.2Å; L315-R317 VanDerWaalsContact C-N 3.31Å; L315-R317 PolarHBondContact O-N 2.82Å; L315-L318 PolarHBondContact O-N 3.3Å; L315-L319 HydrophobicContact CB-CD1 4.43Å; L315-L319 HydrophobicContact CD2-CD1 3.67Å; L315-L319 HydrophobicContact CG-CD1 3.75Å; L315-L319 PolarHBondContact O-N 2.77Å
316	F	26.2	Very low	26.1	Very low	112 Å²	112	149.8 Å²	149.8	49%	0.491	72%	0.72	S	S	.	*	H	α-helix	trans	-70.9	-19.2	-174.1	-110.3	-87.4	0	0	0	114.8
317	R	25.1	Very low	25.9	Very low	234 Å²	234	148.3 Å²	148.3	88%	0.883	71%	0.713	S	S	*	*	H	α-helix	trans	-80.5	-26	177.6	-149.7	172.3	88.9	133.8	0.5	113.1	L315	L315-R317 VanDerWaalsContact C-N 3.31Å; L315-R317 PolarHBondContact O-N 2.82Å
318	L	27.5	Very low	26.3	Very low	141 Å²	141	145.3 Å²	145.3	74%	0.738	70%	0.702	S	S	*	*	H	α-helix	trans	-85.7	-34.1	177.8	-149.4	78.2	0	0	0	111.8	L315 R320 K321	L315-L318 PolarHBondContact O-N 3.3Å; L318-R320 PolarHBondContact O-N 3.15Å; L318-K321 PolarHBondContact O-N 3.34Å
319	L	27	Very low	26.6	Very low	72 Å²	72	143.8 Å²	143.8	38%	0.377	69%	0.685	S	S	.	*	H	α-helix	trans	-71.4	-25.2	-176.8	-81.7	161.4	0	0	0	114.4	L315 K321 V322 V323	L315-L319 HydrophobicContact CB-CD1 4.43Å; L315-L319 HydrophobicContact CD2-CD1 3.67Å; L315-L319 HydrophobicContact CG-CD1 3.75Å; L315-L319 PolarHBondContact O-N 2.77Å; L319-K321 PolarHBondContact O-N 3.2Å; L319-V322 PolarHBondContact O-N 3.48Å; L319-V323 VanDerWaalsContact O-CG2 3.26Å; L319-V323 WeakPolarHBondContact O-CG2 3.4Å; L319-V323 PolarHBondContact O-N 3.42Å; L319-V323 VanDerWaalsContact O-N 3.14Å
320	R	22.7	Very low	26.8	Very low	208 Å²	208	137.4 Å²	137.4	79%	0.785	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-21.3	176.2	-94.5	-174	-176.5	163.3	3.2	114.4	L318	L318-R320 PolarHBondContact O-N 3.15Å
321	K	25.1	Very low	27.2	Very low	192 Å²	192	132.6 Å²	132.6	84%	0.835	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-19.5	173.1	-102.5	-179.3	175.1	179.9	0	113.2	L318 L319	L318-K321 PolarHBondContact O-N 3.34Å; L319-K321 PolarHBondContact O-N 3.2Å
322	V	26.7	Very low	27.6	Very low	93 Å²	93	129.1 Å²	129.1	56%	0.564	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-25.4	179.6	-177.9	0	0	0	0	111.9	L319 K324 L325	L319-V322 PolarHBondContact O-N 3.48Å; V322-K324 PolarHBondContact O-N 3.34Å; V322-K324 VanDerWaalsContact O-N 3.1Å; V322-L325 PolarHBondContact O-N 2.89Å
323	V	25.1	Very low	28.1	Very low	94 Å²	94	126.1 Å²	126.1	57%	0.57	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-8.9	-176.8	171.3	0	0	0	0	114.5	L319	L319-V323 VanDerWaalsContact O-CG2 3.26Å; L319-V323 WeakPolarHBondContact O-CG2 3.4Å; L319-V323 PolarHBondContact O-N 3.42Å; L319-V323 VanDerWaalsContact O-N 3.14Å
324	K	21.1	Very low	28.6	Very low	198 Å²	198	124.2 Å²	124.2	86%	0.861	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	1.7	172.6	-103.2	-176.1	177.7	-176.7	0	115.2	V322	V322-K324 PolarHBondContact O-N 3.34Å; V322-K324 VanDerWaalsContact O-N 3.1Å
325	L	22.6	Very low	29.2	Very low	103 Å²	103	122.5 Å²	122.5	54%	0.539	57%	0.571	S	S	.	*			trans	-112.5	36.7	-174	-86.4	158.7	0	0	0	113.9	V322 H327	V322-L325 PolarHBondContact O-N 2.89Å; L325-H327 PolarHBondContact O-N 3.31Å
326	W	25.3	Very low	29.9	Very low	202 Å²	202	120.9 Å²	120.9	77%	0.765	57%	0.567	S	S	*	*			trans	-77	68.5	164.9	-81.3	87.2	0	0	0	110.5
327	H	24.7	Very low	30.7	Very low	155 Å²	155	117.2 Å²	117.2	72%	0.718	55%	0.552	S	S	*	*	S	Bend	trans	-130.1	121.7	165.1	-85.5	46	0	0	0	107.7	L325 Q329	L325-H327 PolarHBondContact O-N 3.31Å; H327-Q329 PolarHBondContact O-N 3.07Å
328	L	35.3	Very low	31.5	Very low	130 Å²	130	108.3 Å²	108.3	68%	0.681	52%	0.52	S	S	*	.			trans	-48.5	109.1	171.2	-119.8	84.5	0	0	0	109.4	C447	L328-C447 WeakPolarHBondContact CD2-O 3.34Å
329	Q	30.4	Very low	32.3	Very low	109 Å²	109	107.2 Å²	107.2	51%	0.509	51%	0.511	S	S	.	.			trans	-131.4	111	166.8	-91.3	-178.8	-37.5	0	0	107	H327 D331 K332	H327-Q329 PolarHBondContact O-N 3.07Å; Q329-D331 PolarHBondContact O-N 3.27Å; Q329-K332 HydrophobicContact CB-CG 4.47Å; Q329-K332 WeakPolarHBondContact O-CB 3.22Å; Q329-K332 PolarHBondContact O-N 2.99Å
330	V	35.5	Very low	33.4	Very low	36 Å²	36	105.4 Å²	105.4	22%	0.218	51%	0.505	C	S	.	.	H	α-helix	trans	-55	-34.2	-179.5	178.6	0	0	0	0	111.7	K332 C333 E334 Y524 E691	V330-K332 PolarHBondContact O-N 2.85Å; V330-C333 PolarHBondContact O-N 2.64Å; V330-E334 PolarHBondContact O-N 3.43Å; V330-Y524 HydrophobicContact CG2-CE1 3.94Å; V330-E691 HydrophobicContact CG1-CB 4.22Å; V330-E691 WeakPolarHBondContact CG1-OE2 3.47Å
331	D	33.6	Very low	34.8	Very low	81 Å²	81	97.6 Å²	97.6	43%	0.433	48%	0.477	S	S	.	.	H	α-helix	trans	-51.1	-29.4	171.6	-68.4	5.5	0	0	0	113.7	Q329 K335	Q329-D331 PolarHBondContact O-N 3.27Å; D331-K335 WeakPolarHBondContact O-CB 3.2Å; D331-K335 WeakPolarHBondContact O-CD 3.18Å; D331-K335 WeakPolarHBondContact O-CG 3.5Å; D331-K335 PolarHBondContact O-N 2.88Å
332	K	36.3	Very low	36	Very low	89 Å²	89	89.1 Å²	89.1	39%	0.387	44%	0.442	S	S	.	.	H	α-helix	trans	-79	-33.3	179.4	-69.1	-177.4	-178.2	170.4	0	112.7	Q329 V330 S336	Q329-K332 HydrophobicContact CB-CG 4.47Å; Q329-K332 WeakPolarHBondContact O-CB 3.22Å; Q329-K332 PolarHBondContact O-N 2.99Å; V330-K332 PolarHBondContact O-N 2.85Å; K332-S336 VanDerWaalsContact O-CB 3.23Å; K332-S336 WeakPolarHBondContact O-CB 3.49Å; K332-S336 PolarHBondContact O-N 2.93Å; K332-S336 PolarHBondContact O-OG 3.19Å; K332-S336 VanDerWaalsContact O-OG 3.09Å
333	C	38.3	Very low	37.5	Very low	60 Å²	60	91 Å²	91	41%	0.405	44%	0.443	S	S	.	.	H	α-helix	trans	-71	-46.2	177.1	-74.9	0	0	0	0	111.1	V330 K335 S336 D337	V330-C333 PolarHBondContact O-N 2.64Å; C333-K335 VanDerWaalsContact C-N 3.31Å; C333-K335 PolarHBondContact O-N 3.22Å; C333-S336 WeakPolarHBondContact CA-OG 3.49Å; C333-S336 PolarHBondContact O-N 3.38Å; C333-S336 PolarHBondContact O-OG 2.7Å; C333-D337 PolarHBondContact O-N 3.43Å
334	E	36	Very low	39.1	Very low	51 Å²	51	87.7 Å²	87.7	24%	0.238	42%	0.423	C	S	.	.	H	α-helix	trans	-59.2	-43.6	173.6	-67.6	-166.4	131.8	0	0	111.4	V330 F338	V330-E334 PolarHBondContact O-N 3.43Å; E334-F338 WeakPolarHBondContact O-CB 3.28Å; E334-F338 PolarHBondContact O-N 3.44Å
335	K	40.2	Very low	40.9	Very low	127 Å²	127	78.7 Å²	78.7	55%	0.552	39%	0.385	S	S	*	.	H	α-helix	trans	-67.7	-35.6	176.7	-73.4	171.6	-171.8	169.6	0	112.7	D331 C333 Q339	D331-K335 WeakPolarHBondContact O-CB 3.2Å; D331-K335 WeakPolarHBondContact O-CD 3.18Å; D331-K335 WeakPolarHBondContact O-CG 3.5Å; D331-K335 PolarHBondContact O-N 2.88Å; C333-K335 VanDerWaalsContact C-N 3.31Å; C333-K335 PolarHBondContact O-N 3.22Å; K335-Q339 WeakPolarHBondContact O-CB 3.41Å; K335-Q339 WeakPolarHBondContact O-CG 3.42Å; K335-Q339 PolarHBondContact O-N 3.24Å
336	S	42.4	Very low	42.7	Very low	51 Å²	51	77 Å²	77	36%	0.357	38%	0.376	S	S	.	.	H	α-helix	trans	-72.9	-45.6	-179.2	61.8	0	0	0	0	112.4	K332 C333 F338 Q339 S340	K332-S336 VanDerWaalsContact O-CB 3.23Å; K332-S336 WeakPolarHBondContact O-CB 3.49Å; K332-S336 PolarHBondContact O-N 2.93Å; K332-S336 PolarHBondContact O-OG 3.19Å; K332-S336 VanDerWaalsContact O-OG 3.09Å; C333-S336 WeakPolarHBondContact CA-OG 3.49Å; C333-S336 PolarHBondContact O-N 3.38Å; C333-S336 PolarHBondContact O-OG 2.7Å; S336-F338 VanDerWaalsContact C-N 3.25Å; S336-F338 PolarHBondContact O-N 3.27Å; S336-Q339 PolarHBondContact O-N 3.18Å; S336-S340 PolarHBondContact O-N 2.97Å; S336-S340 PolarHBondContact O-OG 2.86Å
337	D	44.1	Very low	44.5	Very low	35 Å²	35	72.8 Å²	72.8	19%	0.187	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-40.8	178	-71.9	-13	0	0	0	110.3	C333 S340 H341 S442	C333-D337 PolarHBondContact O-N 3.43Å; D337-S340 PolarHBondContact O-N 3.47Å; D337-H341 PolarHBondContact O-N 2.84Å; D337-S442 PolarHBondContact OD2-OG 3.27Å
338	F	41.1	Very low	46.3	Very low	48 Å²	48	65.7 Å²	65.7	21%	0.211	33%	0.333	C	S	.	.	H	α-helix	trans	-66.8	-41.1	177.7	-171.3	-105.2	0	0	0	113	E334 S336 H341 S342 H389 T392	E334-F338 WeakPolarHBondContact O-CB 3.28Å; E334-F338 PolarHBondContact O-N 3.44Å; S336-F338 VanDerWaalsContact C-N 3.25Å; S336-F338 PolarHBondContact O-N 3.27Å; F338-H341 PolarHBondContact O-N 2.97Å; F338-S342 WeakPolarHBondContact O-CB 3.21Å; F338-S342 PolarHBondContact O-N 3.47Å; F338-S342 VanDerWaalsContact O-N 3.1Å; F338-S342 PolarHBondContact O-OG 2.86Å; F338-H389 WeakPolarHBondContact CD2-O 3.48Å; F338-H389 WeakPolarHBondContact CE2-O 3.3Å; F338-H389 VanDerWaalsContact CZ-C 3.47Å; F338-H389 WeakPolarHBondContact CZ-O 3.5Å; F338-T392 HydrophobicContact CE1-CG2 4.31Å; F338-T392 HydrophobicContact CZ-CG2 4.24Å
339	Q	45	Very low	47.6	Very low	117 Å²	117	61.3 Å²	61.3	55%	0.547	31%	0.31	S	S	.	.	H	α-helix	trans	-64.9	-37.8	174.1	-78.5	177.3	8.1	0	0	112.3	K335 S336 K343	K335-Q339 WeakPolarHBondContact O-CB 3.41Å; K335-Q339 WeakPolarHBondContact O-CG 3.42Å; K335-Q339 PolarHBondContact O-N 3.24Å; S336-Q339 PolarHBondContact O-N 3.18Å; Q339-K343 WeakPolarHBondContact O-CG 3.27Å; Q339-K343 PolarHBondContact O-N 2.95Å; Q339-K343 VanDerWaalsContact O-N 3.09Å
340	S	50.6	Low	49.1	Very low	34 Å²	34	58.4 Å²	58.4	24%	0.238	31%	0.31	C	S	.	.	H	α-helix	trans	-66.8	-45.3	175.2	-71.6	0	0	0	0	112.1	S299 S336 D337 S342 K343 V344	S299-S340 PolarHBondContact OG-OG 3.14Å; S299-S340 VanDerWaalsContact OG-OG 3.05Å; S336-S340 PolarHBondContact O-N 2.97Å; S336-S340 PolarHBondContact O-OG 2.86Å; D337-S340 PolarHBondContact O-N 3.47Å; S340-S342 VanDerWaalsContact C-N 3.28Å; S340-S342 PolarHBondContact O-N 3.49Å; S340-K343 PolarHBondContact O-N 3.08Å; S340-V344 WeakPolarHBondContact O-CG2 3.46Å; S340-V344 PolarHBondContact O-N 2.78Å
341	H	50.9	Low	50.4	Low	44 Å²	44	62.9 Å²	62.9	20%	0.204	33%	0.328	C	S	.	.	H	α-helix	trans	-58.1	-42.3	176.9	-164.2	95.5	0	0	0	111.9	D337 F338 V344 A345	D337-H341 PolarHBondContact O-N 2.84Å; F338-H341 PolarHBondContact O-N 2.97Å; H341-V344 PolarHBondContact O-N 2.89Å; H341-A345 WeakPolarHBondContact O-CB 3.42Å; H341-A345 PolarHBondContact O-N 3.07Å
342	S	51.7	Low	51.8	Low	15 Å²	15	61.7 Å²	61.7	11%	0.105	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-41.7	179.4	-60.4	0	0	0	0	112.9	F338 S340 A345 N346 T392	F338-S342 WeakPolarHBondContact O-CB 3.21Å; F338-S342 PolarHBondContact O-N 3.47Å; F338-S342 VanDerWaalsContact O-N 3.1Å; F338-S342 PolarHBondContact O-OG 2.86Å; S340-S342 VanDerWaalsContact C-N 3.28Å; S340-S342 PolarHBondContact O-N 3.49Å; S342-A345 PolarHBondContact O-N 2.81Å; S342-N346 PolarHBondContact O-N 3.33Å; S342-N346 PolarHBondContact O-ND2 3.3Å; S342-T392 VanDerWaalsContact CB-CG2 3.44Å; S342-T392 WeakPolarHBondContact OG-CG2 3.37Å
343	K	58.2	Low	53.1	Low	132 Å²	132	64.3 Å²	64.3	57%	0.574	34%	0.339	S	S	*	.	H	α-helix	trans	-65.4	-44.8	176	-75.7	176.5	-178.6	178.9	0	111.7	Q339 S340 A345 N346 E347	Q339-K343 WeakPolarHBondContact O-CG 3.27Å; Q339-K343 PolarHBondContact O-N 2.95Å; Q339-K343 VanDerWaalsContact O-N 3.09Å; S340-K343 PolarHBondContact O-N 3.08Å; K343-A345 VanDerWaalsContact C-N 3.33Å; K343-A345 PolarHBondContact O-N 3.42Å; K343-N346 WeakPolarHBondContact O-CB 3.44Å; K343-N346 PolarHBondContact O-N 3.5Å; K343-N346 VanDerWaalsContact O-N 3.15Å; K343-E347 WeakPolarHBondContact O-CG 3.31Å; K343-E347 PolarHBondContact O-N 2.96Å
344	V	57.8	Low	54.3	Low	24 Å²	24	62.7 Å²	62.7	15%	0.145	33%	0.326	C	S	.	.	H	α-helix	trans	-64.7	-38.9	177.5	174.4	0	0	0	0	111	I267 A297 S340 H341 N346 E347 V348	I267-V344 HydrophobicContact CD1-CG1 4.25Å; I267-V344 HydrophobicContact CG2-CG1 4.3Å; A297-V344 HydrophobicContact CB-CG1 4.38Å; A297-V344 HydrophobicContact CB-CG2 3.92Å; S340-V344 WeakPolarHBondContact O-CG2 3.46Å; S340-V344 PolarHBondContact O-N 2.78Å; H341-V344 PolarHBondContact O-N 2.89Å; V344-N346 VanDerWaalsContact C-N 3.32Å; V344-N346 PolarHBondContact O-N 3.2Å; V344-E347 PolarHBondContact O-N 3.29Å; V344-V348 HydrophobicContact CG1-CG2 4.36Å; V344-V348 WeakPolarHBondContact O-CB 3.45Å; V344-V348 WeakPolarHBondContact O-CG2 3.37Å; V344-V348 PolarHBondContact O-N 2.84Å
345	A	58.1	Low	55.6	Low	9 Å²	9	64.8 Å²	64.8	7%	0.074	34%	0.339	C	S	.	.	H	α-helix	trans	-60.6	-41.6	173.3	0	0	0	0	0	111.9	L239 I267 H341 S342 K343 V348 L349	L239-A345 HydrophobicContact CD1-CB 4.15Å; L239-A345 HydrophobicContact CD2-CB 4.31Å; I267-A345 HydrophobicContact CD1-CB 4.09Å; H341-A345 WeakPolarHBondContact O-CB 3.42Å; H341-A345 PolarHBondContact O-N 3.07Å; S342-A345 PolarHBondContact O-N 2.81Å; K343-A345 VanDerWaalsContact C-N 3.33Å; K343-A345 PolarHBondContact O-N 3.42Å; A345-V348 PolarHBondContact O-N 3.27Å; A345-L349 WeakPolarHBondContact O-CB 3.32Å; A345-L349 WeakPolarHBondContact O-CG 3.32Å; A345-L349 PolarHBondContact O-N 3.41Å
346	N	61.4	Low	56.6	Low	67 Å²	67	62.6 Å²	62.6	36%	0.358	34%	0.338	S	S	.	.	H	α-helix	trans	-68.1	-38.5	176.6	-68	-15.8	0	0	0	112.7	S342 K343 V344 L349 G350 L394	S342-N346 PolarHBondContact O-N 3.33Å; S342-N346 PolarHBondContact O-ND2 3.3Å; K343-N346 WeakPolarHBondContact O-CB 3.44Å; K343-N346 PolarHBondContact O-N 3.5Å; K343-N346 VanDerWaalsContact O-N 3.15Å; V344-N346 VanDerWaalsContact C-N 3.32Å; V344-N346 PolarHBondContact O-N 3.2Å; N346-L349 WeakPolarHBondContact O-CB 3.45Å; N346-L349 PolarHBondContact O-N 2.87Å; N346-G350 PolarHBondContact O-N 3.2Å; N346-L394 WeakPolarHBondContact OD1-CD2 3.34Å
347	E	63.6	Low	57.5	Low	115 Å²	115	68.1 Å²	68.1	54%	0.537	36%	0.358	S	S	.	.	H	α-helix	trans	-65.1	-41.8	174.3	-74.5	172.1	-175.9	0	0	111.4	K343 V344 L349 G350 E351	K343-E347 WeakPolarHBondContact O-CG 3.31Å; K343-E347 PolarHBondContact O-N 2.96Å; V344-E347 PolarHBondContact O-N 3.29Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 3.48Å; E347-G350 PolarHBondContact O-N 3.33Å; E347-E351 WeakPolarHBondContact O-CB 3.45Å; E347-E351 WeakPolarHBondContact O-CG 3.45Å; E347-E351 PolarHBondContact O-N 3.45Å
348	V	62	Low	58.7	Low	5 Å²	5	72.3 Å²	72.3	3%	0.03	38%	0.376	C	S	.	.	H	α-helix	trans	-61.6	-42.2	174.2	173.6	0	0	0	0	111.3	V265 K295 V344 A345 E351 M352	V265-V348 HydrophobicContact CG1-CG1 4.05Å; V265-V348 HydrophobicContact CG2-CG1 4.08Å; K295-V348 HydrophobicContact CD-CG2 3.62Å; V344-V348 HydrophobicContact CG1-CG2 4.36Å; V344-V348 WeakPolarHBondContact O-CB 3.45Å; V344-V348 WeakPolarHBondContact O-CG2 3.37Å; V344-V348 PolarHBondContact O-N 2.84Å; A345-V348 PolarHBondContact O-N 3.27Å; V348-E351 PolarHBondContact O-N 3.06Å; V348-M352 HydrophobicContact CG1-CE 3.73Å; V348-M352 HydrophobicContact CG1-SD 4.19Å; V348-M352 WeakPolarHBondContact O-CB 3.41Å; V348-M352 VanDerWaalsContact O-CG 3.29Å; V348-M352 WeakPolarHBondContact O-CG 3.36Å; V348-M352 PolarHBondContact O-N 3.5Å; V348-M352 VanDerWaalsContact O-N 3.11Å
349	L	61.6	Low	60.2	Low	39 Å²	39	70.7 Å²	70.7	20%	0.204	37%	0.37	C	S	.	.	H	α-helix	trans	-60.5	-44.8	175.1	-83.6	168.1	0	0	0	111.8	L237 A345 N346 E347 M352 L354 L394	L237-L349 HydrophobicContact CD2-CD1 4.38Å; L237-L349 HydrophobicContact CD2-CD2 3.44Å; L237-L349 VanDerWaalsContact CD2-CD2 3.44Å; L237-L349 HydrophobicContact CD2-CG 3.95Å; A345-L349 WeakPolarHBondContact O-CB 3.32Å; A345-L349 WeakPolarHBondContact O-CG 3.32Å; A345-L349 PolarHBondContact O-N 3.41Å; N346-L349 WeakPolarHBondContact O-CB 3.45Å; N346-L349 PolarHBondContact O-N 2.87Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 3.48Å; L349-M352 PolarHBondContact O-N 3.19Å; L349-L354 HydrophobicContact CD2-CD1 4.43Å; L349-L394 HydrophobicContact CD1-CD2 3.94Å
350	G	62.5	Low	61.8	Low	48 Å²	48	66.8 Å²	66.8	50%	0.495	35%	0.351	S	S	.	.	H	α-helix	trans	-64.5	-44.9	177.4	0	0	0	0	0	113.1	N346 E347 M352 N353	N346-G350 PolarHBondContact O-N 3.2Å; E347-G350 PolarHBondContact O-N 3.33Å; G350-M352 VanDerWaalsContact C-N 3.28Å; G350-M352 PolarHBondContact O-N 3.45Å; G350-N353 PolarHBondContact O-N 3.27Å; G350-N353 PolarHBondContact O-OD1 2.74Å
351	E	63.8	Low	63.2	Low	130 Å²	130	65.6 Å²	65.6	61%	0.607	34%	0.342	S	S	*	.	H	α-helix	trans	-65.1	-30.5	178.3	-76.4	177.6	-147.1	0	0	113.4	K295 E347 V348 N353	K295-E351 IonicContact NZ-OE1 2.8Å; K295-E351 PolarHBondContact NZ-OE1 3.36Å; K295-E351 IonicContact NZ-OE2 2.62Å; K295-E351 PolarHBondContact NZ-OE2 3.05Å; E347-E351 WeakPolarHBondContact O-CB 3.45Å; E347-E351 WeakPolarHBondContact O-CG 3.45Å; E347-E351 PolarHBondContact O-N 3.45Å; V348-E351 PolarHBondContact O-N 3.06Å; E351-N353 PolarHBondContact O-N 3.1Å
352	M	62.9	Low	64.5	Low	55 Å²	55	63.6 Å²	63.6	27%	0.271	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	0.6	179.7	-70.6	-170.3	-178.5	0	0	113.4	I263 V265 K292 V348 L349 G350 L354	I263-M352 HydrophobicContact CG2-SD 4.1Å; V265-M352 HydrophobicContact CG2-CE 4.07Å; K292-M352 HydrophobicContact CB-CE 3.89Å; K292-M352 HydrophobicContact CD-CE 4.1Å; K292-M352 HydrophobicContact CD-SD 4.34Å; V348-M352 HydrophobicContact CG1-CE 3.73Å; V348-M352 HydrophobicContact CG1-SD 4.19Å; V348-M352 WeakPolarHBondContact O-CB 3.41Å; V348-M352 VanDerWaalsContact O-CG 3.29Å; V348-M352 WeakPolarHBondContact O-CG 3.36Å; V348-M352 PolarHBondContact O-N 3.5Å; V348-M352 VanDerWaalsContact O-N 3.11Å; L349-M352 PolarHBondContact O-N 3.19Å; G350-M352 VanDerWaalsContact C-N 3.28Å; G350-M352 PolarHBondContact O-N 3.45Å; M352-L354 HydrophobicContact CB-CD1 3.84Å; M352-L354 HydrophobicContact CB-CG 3.78Å; M352-L354 PolarHBondContact O-N 3.19Å; M352-L354 VanDerWaalsContact O-N 3.1Å; M352-L354 HydrophobicContact SD-CD1 4.24Å
353	N	62.6	Low	65.5	Low	144 Å²	144	63.5 Å²	63.5	77%	0.77	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.3	39.9	-176	-76.1	-21.1	0	0	0	112.1	G350 E351	G350-N353 PolarHBondContact O-N 3.27Å; G350-N353 PolarHBondContact O-OD1 2.74Å; E351-N353 PolarHBondContact O-N 3.1Å
354	L	64.9	Low	66.1	Low	26 Å²	26	58.1 Å²	58.1	14%	0.136	31%	0.314	C	S	.	.			trans	-85.2	119.9	179.4	-72.4	173.9	0	0	0	108.7	K235 I263 L349 M352 P356 V359	K235-L354 HydrophobicContact CD-CD2 4.16Å; I263-L354 HydrophobicContact CD1-CD1 3.96Å; I263-L354 HydrophobicContact CD1-CD2 4.12Å; L349-L354 HydrophobicContact CD2-CD1 4.43Å; M352-L354 HydrophobicContact CB-CD1 3.84Å; M352-L354 HydrophobicContact CB-CG 3.78Å; M352-L354 PolarHBondContact O-N 3.19Å; M352-L354 VanDerWaalsContact O-N 3.1Å; M352-L354 HydrophobicContact SD-CD1 4.24Å; L354-P356 VanDerWaalsContact O-CD 3.31Å; L354-P356 WeakPolarHBondContact O-CD 3.29Å; L354-V359 HydrophobicContact CB-CG2 4Å; L354-V359 HydrophobicContact CD2-CG2 4.16Å; L354-V359 HydrophobicContact CG-CG2 4.44Å
355	N	63	Low	66.7	Low	96 Å²	96	57.9 Å²	57.9	51%	0.513	31%	0.312	S	S	.	.			trans	-64.7	121.1	173.3	-73	-19.8	0	0	0	109.1	E357 E358	N355-E357 PolarHBondContact O-N 3.47Å; N355-E358 HydrophobicContact CB-CB 4.46Å; N355-E358 HydrophobicContact CB-CG 4.37Å; N355-E358 PolarHBondContact O-N 2.88Å
356	P	61	Low	67.1	Low	81 Å²	81	57.9 Å²	57.9	53%	0.526	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.5	176.7	-22.7	33.5	0	0	0	113	L354 K403	L354-P356 VanDerWaalsContact O-CD 3.31Å; L354-P356 WeakPolarHBondContact O-CD 3.29Å; P356-K403 PolarHBondContact O-NZ 2.89Å
357	E	61.9	Low	67	Low	167 Å²	167	56 Å²	56	78%	0.78	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-24.8	176.5	-65.7	-171.3	-179.4	0	0	114	N355	N355-E357 PolarHBondContact O-N 3.47Å
358	E	67.9	Low	66.6	Low	123 Å²	123	52.6 Å²	52.6	58%	0.575	29%	0.287	S	S	*	.	S	Bend	trans	-112.6	5.7	-172.9	-62.7	-178.6	164.1	0	0	113.7	S234 K235 N355	S234-E358 WeakPolarHBondContact CB-O 3.23Å; K235-E358 PolarHBondContact N-O 3Å; N355-E358 HydrophobicContact CB-CB 4.46Å; N355-E358 HydrophobicContact CB-CG 4.37Å; N355-E358 PolarHBondContact O-N 2.88Å
359	V	73.1	Confident	66.4	Low	14 Å²	14	55.1 Å²	55.1	9%	0.085	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.5	-173.7	-180	0	0	0	0	112.2	K235 L237 L354	K235-V359 HydrophobicContact CB-CG2 4.32Å; K235-V359 WeakPolarHBondContact O-CA 3.24Å; L237-V359 HydrophobicContact CB-CG1 4.04Å; L354-V359 HydrophobicContact CB-CG2 4Å; L354-V359 HydrophobicContact CD2-CG2 4.16Å; L354-V359 HydrophobicContact CG-CG2 4.44Å
360	F	79.4	Confident	66.2	Low	34 Å²	34	55.9 Å²	55.9	15%	0.149	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	144.5	168.1	-73.7	-92.9	0	0	0	110.7	K230 V231 K235 V236 L237 K403 I405	K230-F360 WeakPolarHBondContact O-CZ 3.19Å; V231-F360 HydrophobicContact CG1-CD2 4.48Å; K235-F360 PolarHBondContact O-N 2.92Å; V236-F360 CarbonylContact C-O 3.59Å; V236-F360 WeakPolarHBondContact CA-O 3.29Å; V236-F360 HydrophobicContact CG2-CB 4.27Å; L237-F360 PolarHBondContact N-O 3.37Å; F360-K403 CarbonylContact C-O 3.31Å; F360-K403 WeakPolarHBondContact CA-O 3.28Å; F360-K403 HydrophobicContact CD1-CB 4.1Å; F360-K403 WeakPolarHBondContact CD1-O 3.39Å; F360-K403 HydrophobicContact CE1-CB 4.36Å; F360-K403 HydrophobicContact CE1-CG 4.34Å; F360-I405 HydrophobicContact CD1-CG2 3.93Å
361	L	78.3	Confident	65.7	Low	9 Å²	9	55.4 Å²	55.4	5%	0.047	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.9	170.5	-179.8	68.5	0	0	0	109.2	L237 L239 I395 K403 V404 I405	L237-L361 HydrophobicContact CB-CD1 4.45Å; L237-L361 HydrophobicContact CD2-CD1 4.22Å; L237-L361 HydrophobicContact CG-CD1 4.47Å; L237-L361 CarbonylContact O-C 3.6Å; L239-L361 HydrophobicContact CD1-CD1 4.49Å; L239-L361 HydrophobicContact CG-CD1 4.32Å; L361-I395 HydrophobicContact CD2-CD1 4.19Å; L361-I395 HydrophobicContact CD2-CG1 3.79Å; L361-I395 HydrophobicContact CD2-CG2 4.45Å; L361-K403 PolarHBondContact N-O 2.88Å; L361-V404 CarbonylContact O-C 3.58Å; L361-V404 VanDerWaalsContact O-CA 3.32Å; L361-V404 WeakPolarHBondContact O-CA 3.36Å; L361-I405 PolarHBondContact O-N 2.94Å
362	A	79.4	Confident	64.9	Low	2 Å²	2	52.2 Å²	52.2	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.4	173.7	0	0	0	0	0	112	V236 L237 V238 L253 I405	V236-A362 HydrophobicContact CG1-CB 3.64Å; L237-A362 PolarHBondContact O-N 3.33Å; V238-A362 HydrophobicContact CB-CB 4.22Å; V238-A362 HydrophobicContact CG2-CB 4.4Å; L253-A362 HydrophobicContact CD1-CB 3.45Å; L253-A362 VanDerWaalsContact CD1-CB 3.45Å; A362-I405 VanDerWaalsContact CA-O 3.3Å; A362-I405 WeakPolarHBondContact CA-O 3.2Å; A362-I405 HydrophobicContact CB-CD1 4.02Å; A362-I405 HydrophobicContact CB-CG1 3.64Å
363	Q	73.3	Confident	63.8	Low	13 Å²	13	51.7 Å²	51.7	6%	0.061	28%	0.277	C	S	.	.			trans	-121.7	145.2	173.9	-64.7	-173.2	-36.3	0	0	110.9	T365 V404 I405 E406 P407	Q363-T365 PolarHBondContact O-N 3.38Å; Q363-V404 HydrophobicContact CG-CG1 4.48Å; Q363-I405 PolarHBondContact N-O 2.91Å; Q363-E406 HydrophobicContact CB-CG 4.28Å; Q363-P407 WeakPolarHBondContact O-CD 3.22Å
364	G	69.6	Low	62.4	Low	20 Å²	20	46.9 Å²	46.9	21%	0.206	26%	0.256	C	S	.	.			trans	-85.1	23.6	175.5	0	0	0	0	0	113.6	D245	D245-G364 WeakPolarHBondContact CB-O 3.27Å
365	T	69.9	Low	61.1	Low	18 Å²	18	47 Å²	47	11%	0.11	26%	0.26	C	S	.	.			trans	-59.2	134.2	-178.4	-41.6	0	0	0	0	110.4	Q363 D369 E406 L408 K409	Q363-T365 PolarHBondContact O-N 3.38Å; T365-D369 HydrophobicContact CG2-CB 3.85Å; T365-E406 VanDerWaalsContact CB-OE1 3.22Å; T365-E406 WeakPolarHBondContact CB-OE1 3.23Å; T365-E406 PolarHBondContact OG1-OE1 2.84Å; T365-L408 CarbonylContact O-C 3.55Å; T365-K409 PolarHBondContact O-N 2.91Å
366	L	67.4	Low	59.7	Low	10 Å²	10	48 Å²	48	5%	0.052	26%	0.261	C	S	.	.			trans	-96	163.7	-178.5	-59.7	-177.6	0	0	0	112	D245 P368 D369 L370 L408 K413 V416	D245-L366 HydrophobicContact CB-CD2 4.35Å; L366-P368 VanDerWaalsContact C-CD 3.47Å; L366-D369 PolarHBondContact N-OD2 3.29Å; L366-D369 WeakPolarHBondContact O-CB 3.46Å; L366-D369 PolarHBondContact O-N 3.19Å; L366-D369 VanDerWaalsContact O-N 3.15Å; L366-L370 PolarHBondContact O-N 3.09Å; L366-L408 HydrophobicContact CD2-CB 3.79Å; L366-L408 HydrophobicContact CD2-CD1 4.22Å; L366-K413 HydrophobicContact CD1-CD 3.62Å; L366-V416 HydrophobicContact CD2-CG2 3.64Å
367	R	59.3	Low	58.4	Low	28 Å²	28	51.5 Å²	51.5	11%	0.106	27%	0.274	C	S	.	.	H	α-helix	trans	-53.8	-43.2	175.7	-159.1	175.4	172.2	108.8	-8.3	114.3	D39 S49 D369 L370 I371 K409 D410	D39-R367 IonicContact OD1-NH2 3.8Å; D39-R367 IonicContact OD2-NE 3.21Å; S49-R367 PolarHBondContact O-NH2 2.96Å; R367-D369 PolarHBondContact O-N 3.17Å; R367-L370 PolarHBondContact O-N 3.43Å; R367-I371 HydrophobicContact CG-CD1 3.81Å; R367-I371 HydrophobicContact CG-CG1 4.28Å; R367-I371 WeakPolarHBondContact O-CG1 3.37Å; R367-I371 PolarHBondContact O-N 3.5Å; R367-K409 WeakPolarHBondContact CA-O 3.48Å; R367-K409 WeakPolarHBondContact CB-O 3.42Å; R367-K409 WeakPolarHBondContact CG-O 3.47Å; R367-K409 PolarHBondContact N-O 2.77Å; R367-D410 IonicContact NH1-OD1 2.93Å; R367-D410 PolarHBondContact NH1-OD1 2.95Å
368	P	54.3	Low	56.9	Low	43 Å²	43	46.3 Å²	46.3	28%	0.279	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-34	179.2	-25.2	36.8	0	0	0	113.1	L366 I371 E372	L366-P368 VanDerWaalsContact C-CD 3.47Å; P368-I371 PolarHBondContact O-N 3.41Å; P368-E372 WeakPolarHBondContact O-CG 3.33Å; P368-E372 PolarHBondContact O-N 3.31Å
369	D	59.5	Low	55.1	Low	57 Å²	57	42.7 Å²	42.7	31%	0.305	25%	0.248	S	C	.	.	H	α-helix	trans	-70.2	-40.9	178	-54.5	-42.9	0	0	0	110.5	T365 L366 R367 E372 S373	T365-D369 HydrophobicContact CG2-CB 3.85Å; L366-D369 PolarHBondContact N-OD2 3.29Å; L366-D369 WeakPolarHBondContact O-CB 3.46Å; L366-D369 PolarHBondContact O-N 3.19Å; L366-D369 VanDerWaalsContact O-N 3.15Å; R367-D369 PolarHBondContact O-N 3.17Å; D369-E372 PolarHBondContact O-N 3.4Å; D369-S373 PolarHBondContact O-N 3.12Å; D369-S373 VanDerWaalsContact O-N 3.14Å; D369-S373 PolarHBondContact O-OG 3.42Å
370	L	56.9	Low	53	Low	56 Å²	56	45.9 Å²	45.9	29%	0.293	28%	0.283	S	S	.	.	H	α-helix	trans	-66	-39.3	173.9	-88.2	154	0	0	0	112.8	L366 R367 S373 A374 K409	L366-L370 PolarHBondContact O-N 3.09Å; R367-L370 PolarHBondContact O-N 3.43Å; L370-S373 CarbonylContact O-C 3.53Å; L370-S373 PolarHBondContact O-N 3.24Å; L370-A374 VanDerWaalsContact O-CB 3.23Å; L370-A374 WeakPolarHBondContact O-CB 3.48Å; L370-A374 PolarHBondContact O-N 3.16Å; L370-K409 HydrophobicContact CD1-CB 3.38Å
371	I	51.6	Low	50.7	Low	37 Å²	37	54.2 Å²	54.2	19%	0.19	31%	0.314	C	S	.	.	H	α-helix	trans	-70.6	-36.1	177	-63.3	164.3	0	0	0	110.5	K36 I51 R367 P368 S373 A374 S375	K36-I371 HydrophobicContact CD-CG2 4.48Å; K36-I371 HydrophobicContact CG-CG2 4.43Å; I51-I371 HydrophobicContact CD1-CD1 4.01Å; R367-I371 HydrophobicContact CG-CD1 3.81Å; R367-I371 HydrophobicContact CG-CG1 4.28Å; R367-I371 WeakPolarHBondContact O-CG1 3.37Å; R367-I371 PolarHBondContact O-N 3.5Å; P368-I371 PolarHBondContact O-N 3.41Å; I371-S373 VanDerWaalsContact C-N 3.26Å; I371-S373 PolarHBondContact O-N 3.42Å; I371-A374 CarbonylContact O-C 3.43Å; I371-A374 PolarHBondContact O-N 3.15Å; I371-S375 WeakPolarHBondContact O-CA 3.42Å; I371-S375 WeakPolarHBondContact O-CB 3.36Å; I371-S375 PolarHBondContact O-N 3.32Å
372	E	46.8	Very low	48.2	Very low	64 Å²	64	55.5 Å²	55.5	30%	0.299	33%	0.326	S	S	.	.	H	α-helix	trans	-58.9	-41.2	170.9	-78.8	178.6	-169.3	0	0	110.7	P368 D369 S375 K386	P368-E372 WeakPolarHBondContact O-CG 3.33Å; P368-E372 PolarHBondContact O-N 3.31Å; D369-E372 PolarHBondContact O-N 3.4Å; E372-S375 PolarHBondContact O-N 3.16Å; E372-S375 PolarHBondContact O-OG 3.04Å; E372-K386 IonicContact OE2-NZ 3.82Å
373	S	39.2	Very low	45.6	Very low	44 Å²	44	63.6 Å²	63.6	31%	0.308	36%	0.363	S	S	.	.	H	α-helix	trans	-71.6	-37.8	175.9	-49.7	0	0	0	0	113.7	D369 L370 I371 H388	D369-S373 PolarHBondContact O-N 3.12Å; D369-S373 VanDerWaalsContact O-N 3.14Å; D369-S373 PolarHBondContact O-OG 3.42Å; L370-S373 CarbonylContact O-C 3.53Å; L370-S373 PolarHBondContact O-N 3.24Å; I371-S373 VanDerWaalsContact C-N 3.26Å; I371-S373 PolarHBondContact O-N 3.42Å; S373-H388 WeakPolarHBondContact CB-NE2 3.44Å; S373-H388 PolarHBondContact OG-CE1 3.24Å; S373-H388 PolarHBondContact OG-NE2 2.95Å
374	A	34.2	Very low	43.5	Very low	42 Å²	42	67.7 Å²	67.7	35%	0.347	39%	0.389	S	S	.	.	H	α-helix	trans	-78.6	-18.3	177.3	0	0	0	0	0	112.6	L370 I371 H376 I377 A378	L370-A374 VanDerWaalsContact O-CB 3.23Å; L370-A374 WeakPolarHBondContact O-CB 3.48Å; L370-A374 PolarHBondContact O-N 3.16Å; I371-A374 CarbonylContact O-C 3.43Å; I371-A374 PolarHBondContact O-N 3.15Å; A374-H376 PolarHBondContact O-N 3.47Å; A374-I377 CarbonylContact O-C 3.57Å; A374-I377 WeakPolarHBondContact O-CA 3.08Å; A374-I377 WeakPolarHBondContact O-CB 3.4Å; A374-I377 PolarHBondContact O-N 3.14Å; A374-A378 WeakPolarHBondContact O-CB 3.32Å; A374-A378 PolarHBondContact O-N 3.13Å
375	S	37	Very low	41.7	Very low	30 Å²	30	72 Å²	72	21%	0.21	41%	0.406	C	S	.	.	H	α-helix	trans	-62.7	-23.7	176.4	69.8	0	0	0	0	111.7	I371 E372 S379	I371-S375 WeakPolarHBondContact O-CA 3.42Å; I371-S375 WeakPolarHBondContact O-CB 3.36Å; I371-S375 PolarHBondContact O-N 3.32Å; E372-S375 PolarHBondContact O-N 3.16Å; E372-S375 PolarHBondContact O-OG 3.04Å; S375-S379 CarbonylContact O-C 3.6Å; S375-S379 WeakPolarHBondContact O-CA 3.45Å; S375-S379 PolarHBondContact O-N 3.32Å; S375-S379 PolarHBondContact O-OG 3.24Å
376	H	34.3	Very low	39.9	Very low	115 Å²	115	76.2 Å²	76.2	53%	0.532	42%	0.423	S	S	.	.	H	α-helix	trans	-76.1	-23.5	170.9	-157	-62.6	0	0	0	113.3	A374	A374-H376 PolarHBondContact O-N 3.47Å
377	I	32.8	Very low	38.1	Very low	155 Å²	155	80.7 Å²	80.7	80%	0.795	45%	0.451	S	S	*	.	H	α-helix	trans	-88.2	-34.3	174.8	-57.4	174.9	0	0	0	110.3	A374	A374-I377 CarbonylContact O-C 3.57Å; A374-I377 WeakPolarHBondContact O-CA 3.08Å; A374-I377 WeakPolarHBondContact O-CB 3.4Å; A374-I377 PolarHBondContact O-N 3.14Å
378	A	30.3	Very low	37.1	Very low	58 Å²	58	82.7 Å²	82.7	48%	0.479	46%	0.461	S	S	.	.	H	α-helix	trans	-91.4	-24.1	-177.3	0	0	0	0	0	114	P53 A374	P53-A378 HydrophobicContact CG-CB 4.32Å; A374-A378 WeakPolarHBondContact O-CB 3.32Å; A374-A378 PolarHBondContact O-N 3.13Å
379	S	30.1	Very low	36.6	Very low	48 Å²	48	85.5 Å²	85.5	34%	0.336	47%	0.471	S	S	.	.			trans	-145.6	110.9	174.9	73.7	0	0	0	0	110.5	S375 R381	S375-S379 CarbonylContact O-C 3.6Å; S375-S379 WeakPolarHBondContact O-CA 3.45Å; S375-S379 PolarHBondContact O-N 3.32Å; S375-S379 PolarHBondContact O-OG 3.24Å; S379-R381 PolarHBondContact O-N 2.98Å
380	G	29	Very low	35.9	Very low	80 Å²	80	85.9 Å²	85.9	83%	0.825	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	17.5	-177.8	0	0	0	0	0	116.2
381	R	31.6	Very low	35.3	Very low	209 Å²	209	85.5 Å²	85.5	79%	0.789	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	-0.4	-171.2	-73.9	-176.9	175.1	166.1	-1.9	115.2	S379	S379-R381 PolarHBondContact O-N 2.98Å
382	A	25.8	Very low	35.3	Very low	37 Å²	37	84.6 Å²	84.6	31%	0.306	47%	0.467	S	S	.	.			trans	-97.5	118.9	-180	0	0	0	0	0	111.9
383	E	25.1	Very low	35.4	Very low	172 Å²	172	89.1 Å²	89.1	80%	0.804	49%	0.488	S	S	*	.			trans	-74.3	144.1	172.7	-81.5	-171.7	156.7	0	0	112.1	I385	E383-I385 PolarHBondContact O-N 3.45Å
384	V	29.6	Very low	36	Very low	99 Å²	99	90 Å²	90	60%	0.6	49%	0.489	S	S	*	.			trans	-70.9	98.3	-178.8	-179.9	0	0	0	0	110.3	K386 T387	V384-K386 VanDerWaalsContact C-N 3.35Å; V384-K386 WeakPolarHBondContact CG1-O 3.48Å; V384-T387 HydrophobicContact CG1-CG2 4.41Å
385	I	30.6	Very low	37.1	Very low	111 Å²	111	88.7 Å²	88.7	57%	0.569	48%	0.476	S	S	*	.	S	Bend	trans	-80.1	-18.8	175.9	-61.3	173.2	0	0	0	111.9	E383 R522	E383-I385 PolarHBondContact O-N 3.45Å; I385-R522 PolarHBondContact O-NH2 2.76Å
386	K	32.6	Very low	38.1	Very low	105 Å²	105	93.2 Å²	93.2	46%	0.457	49%	0.489	S	S	.	.	S	Bend	trans	-135.4	109.3	177	-66.6	-175.6	-172.1	156.7	0	111.1	E372 V384	E372-K386 IonicContact OE2-NZ 3.82Å; V384-K386 VanDerWaalsContact C-N 3.35Å; V384-K386 WeakPolarHBondContact CG1-O 3.48Å
387	T	30.7	Very low	39.4	Very low	105 Å²	105	93.7 Å²	93.7	64%	0.644	49%	0.489	S	S	*	.			trans	-68.4	129.2	165.6	47.4	0	0	0	0	108.7	V384 H389	V384-T387 HydrophobicContact CG1-CG2 4.41Å; T387-H389 PolarHBondContact O-N 2.93Å
388	H	37.9	Very low	40.9	Very low	70 Å²	70	87.3 Å²	87.3	32%	0.324	46%	0.457	S	S	.	.			trans	-47.1	108.7	176.2	-83.9	-69	0	0	0	111.2	S373 N390 D391	S373-H388 WeakPolarHBondContact CB-NE2 3.44Å; S373-H388 PolarHBondContact OG-CE1 3.24Å; S373-H388 PolarHBondContact OG-NE2 2.95Å; H388-N390 PolarHBondContact O-N 3.19Å; H388-D391 HydrophobicContact CB-CB 4.19Å; H388-D391 PolarHBondContact O-N 3.27Å
389	H	42.9	Very low	42.5	Very low	102 Å²	102	88.8 Å²	88.8	47%	0.472	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	31.5	-179	-59.9	-80.1	0	0	0	112.7	F338 T387	F338-H389 WeakPolarHBondContact CD2-O 3.48Å; F338-H389 WeakPolarHBondContact CE2-O 3.3Å; F338-H389 VanDerWaalsContact CZ-C 3.47Å; F338-H389 WeakPolarHBondContact CZ-O 3.5Å; T387-H389 PolarHBondContact O-N 2.93Å
390	N	44.4	Very low	44.1	Very low	65 Å²	65	93.1 Å²	93.1	35%	0.348	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.2	7.7	-178.5	-91.1	-26.4	0	0	0	113.3	H388 T392 I395	H388-N390 PolarHBondContact O-N 3.19Å; N390-T392 PolarHBondContact O-N 2.71Å; N390-I395 WeakPolarHBondContact O-CD1 3.38Å
391	D	44.2	Very low	45.9	Very low	47 Å²	47	94.4 Å²	94.4	25%	0.251	45%	0.454	S	S	.	.			trans	-93.5	90.6	-168.8	-155.2	26.2	0	0	0	111.4	H388 R396	H388-D391 HydrophobicContact CB-CB 4.19Å; H388-D391 PolarHBondContact O-N 3.27Å; D391-R396 WeakPolarHBondContact OD1-CG 3.42Å; D391-R396 IonicContact OD1-NE 3.7Å; D391-R396 PolarHBondContact OD1-NE 2.96Å; D391-R396 IonicContact OD2-CZ 2.91Å; D391-R396 IonicContact OD2-NE 3.48Å; D391-R396 PolarHBondContact OD2-NE 3.39Å; D391-R396 IonicContact OD2-NH2 3.97Å; D391-R396 PolarHBondContact OD2-NH2 2.99Å
392	T	52.1	Low	47.5	Very low	19 Å²	19	87 Å²	87	12%	0.117	44%	0.443	C	S	.	.			trans	-102.6	159.3	176.7	64.8	0	0	0	0	110.7	F338 S342 N390 L394 I395 R396	F338-T392 HydrophobicContact CE1-CG2 4.31Å; F338-T392 HydrophobicContact CZ-CG2 4.24Å; S342-T392 VanDerWaalsContact CB-CG2 3.44Å; S342-T392 WeakPolarHBondContact OG-CG2 3.37Å; N390-T392 PolarHBondContact O-N 2.71Å; T392-L394 PolarHBondContact O-N 2.64Å; T392-L394 VanDerWaalsContact O-N 3.16Å; T392-I395 HydrophobicContact CG2-CD1 4.24Å; T392-I395 PolarHBondContact O-N 3.1Å; T392-I395 VanDerWaalsContact O-N 3.11Å; T392-I395 WeakPolarHBondContact OG1-CB 3.44Å; T392-I395 WeakPolarHBondContact OG1-CD1 3.09Å; T392-I395 WeakPolarHBondContact OG1-CG1 3.41Å; T392-I395 PolarHBondContact OG1-N 3.44Å; T392-I395 VanDerWaalsContact OG1-N 3.14Å; T392-R396 WeakPolarHBondContact O-CB 3.33Å; T392-R396 WeakPolarHBondContact O-CG 3.21Å; T392-R396 PolarHBondContact O-N 3.46Å
393	E	48.9	Very low	49.8	Very low	158 Å²	158	86.8 Å²	86.8	74%	0.738	44%	0.435	S	S	*	.	H	α-helix	trans	-56.5	-32.2	176.9	-71.6	-176.3	170.2	0	0	113.6	K397	E393-K397 WeakPolarHBondContact O-CG 3.17Å; E393-K397 PolarHBondContact O-N 2.88Å
394	L	52.3	Low	52.2	Low	64 Å²	64	79.9 Å²	79.9	34%	0.335	41%	0.405	S	S	.	.	H	α-helix	trans	-76.2	-41.3	176.2	-166.2	78	0	0	0	111.7	N346 L349 T392 R396 K397 L398	N346-L394 WeakPolarHBondContact OD1-CD2 3.34Å; L349-L394 HydrophobicContact CD1-CD2 3.94Å; T392-L394 PolarHBondContact O-N 2.64Å; T392-L394 VanDerWaalsContact O-N 3.16Å; L394-R396 VanDerWaalsContact C-N 3.26Å; L394-R396 PolarHBondContact O-N 3.39Å; L394-K397 PolarHBondContact O-N 3.37Å; L394-L398 HydrophobicContact CG-CD1 4.45Å; L394-L398 WeakPolarHBondContact O-CB 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.4Å; L394-L398 PolarHBondContact O-N 2.91Å
395	I	56.6	Low	54.6	Low	14 Å²	14	76 Å²	76	7%	0.072	38%	0.38	C	S	.	.	H	α-helix	trans	-65.7	-34.2	175.2	-68.8	170	0	0	0	110.3	L361 N390 T392 L398 R399	L361-I395 HydrophobicContact CD2-CD1 4.19Å; L361-I395 HydrophobicContact CD2-CG1 3.79Å; L361-I395 HydrophobicContact CD2-CG2 4.45Å; N390-I395 WeakPolarHBondContact O-CD1 3.38Å; T392-I395 HydrophobicContact CG2-CD1 4.24Å; T392-I395 PolarHBondContact O-N 3.1Å; T392-I395 VanDerWaalsContact O-N 3.11Å; T392-I395 WeakPolarHBondContact OG1-CB 3.44Å; T392-I395 WeakPolarHBondContact OG1-CD1 3.09Å; T392-I395 WeakPolarHBondContact OG1-CG1 3.41Å; T392-I395 PolarHBondContact OG1-N 3.44Å; T392-I395 VanDerWaalsContact OG1-N 3.14Å; I395-L398 PolarHBondContact O-N 2.97Å; I395-R399 WeakPolarHBondContact O-CB 3.34Å; I395-R399 PolarHBondContact O-N 3.26Å
396	R	59.1	Low	57	Low	125 Å²	125	72.3 Å²	72.3	47%	0.472	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-48.1	170.7	-73.6	178.5	179.6	173.7	0.5	111.3	D391 T392 L394 L398 R399 D400	D391-R396 WeakPolarHBondContact OD1-CG 3.42Å; D391-R396 IonicContact OD1-NE 3.7Å; D391-R396 PolarHBondContact OD1-NE 2.96Å; D391-R396 IonicContact OD2-CZ 2.91Å; D391-R396 IonicContact OD2-NE 3.48Å; D391-R396 PolarHBondContact OD2-NE 3.39Å; D391-R396 IonicContact OD2-NH2 3.97Å; D391-R396 PolarHBondContact OD2-NH2 2.99Å; T392-R396 WeakPolarHBondContact O-CB 3.33Å; T392-R396 WeakPolarHBondContact O-CG 3.21Å; T392-R396 PolarHBondContact O-N 3.46Å; L394-R396 VanDerWaalsContact C-N 3.26Å; L394-R396 PolarHBondContact O-N 3.39Å; R396-L398 PolarHBondContact O-N 3.47Å; R396-R399 CarbonylContact O-C 3.6Å; R396-R399 WeakPolarHBondContact O-CB 3.44Å; R396-R399 PolarHBondContact O-N 3.28Å; R396-R399 VanDerWaalsContact O-N 3.12Å; R396-D400 WeakPolarHBondContact O-CB 3.06Å; R396-D400 PolarHBondContact O-N 3.19Å
397	K	61.7	Low	59.3	Low	125 Å²	125	67.8 Å²	67.8	54%	0.543	34%	0.342	S	S	.	.	H	α-helix	trans	-59	-46.3	173.9	-73.8	176.5	-178.5	-177.3	0	112.7	E393 L394 R399 D400 E401	E393-K397 WeakPolarHBondContact O-CG 3.17Å; E393-K397 PolarHBondContact O-N 2.88Å; L394-K397 PolarHBondContact O-N 3.37Å; K397-R399 VanDerWaalsContact C-N 3.27Å; K397-R399 PolarHBondContact O-N 2.87Å; K397-D400 PolarHBondContact O-N 2.9Å; K397-E401 WeakPolarHBondContact O-CB 3.28Å; K397-E401 VanDerWaalsContact O-CG 3.25Å; K397-E401 WeakPolarHBondContact O-CG 3.37Å; K397-E401 PolarHBondContact O-N 2.81Å
398	L	63.4	Low	61.7	Low	21 Å²	21	62.8 Å²	62.8	11%	0.11	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-31.5	176.1	-71.2	170.6	0	0	0	112.4	L394 I395 R396 G402 K403 V404	L394-L398 HydrophobicContact CG-CD1 4.45Å; L394-L398 WeakPolarHBondContact O-CB 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.4Å; L394-L398 PolarHBondContact O-N 2.91Å; I395-L398 PolarHBondContact O-N 2.97Å; R396-L398 PolarHBondContact O-N 3.47Å; L398-G402 PolarHBondContact O-N 2.83Å; L398-K403 HydrophobicContact CD2-CB 4.43Å; L398-K403 HydrophobicContact CD2-CD 4.31Å; L398-K403 PolarHBondContact O-N 2.78Å; L398-V404 HydrophobicContact CB-CG2 4.24Å
399	R	64.1	Low	63.5	Low	89 Å²	89	62.1 Å²	62.1	34%	0.336	31%	0.307	S	S	.	.	H	α-helix	trans	-73.1	-42.5	175.4	-177.4	-178.2	-68.8	-127.8	-7.7	111.1	I395 R396 K397 E401 G402 V404	I395-R399 WeakPolarHBondContact O-CB 3.34Å; I395-R399 PolarHBondContact O-N 3.26Å; R396-R399 CarbonylContact O-C 3.6Å; R396-R399 WeakPolarHBondContact O-CB 3.44Å; R396-R399 PolarHBondContact O-N 3.28Å; R396-R399 VanDerWaalsContact O-N 3.12Å; K397-R399 VanDerWaalsContact C-N 3.27Å; K397-R399 PolarHBondContact O-N 2.87Å; R399-E401 VanDerWaalsContact C-N 3.27Å; R399-E401 PolarHBondContact O-N 3.12Å; R399-G402 WeakPolarHBondContact O-CA 3.49Å; R399-G402 PolarHBondContact O-N 3.06Å; R399-V404 HydrophobicContact CB-CG2 4.02Å
400	D	62.8	Low	64.9	Low	138 Å²	138	59.9 Å²	59.9	74%	0.738	30%	0.299	S	S	*	.	H	α-helix	trans	-64.5	-34	175.1	-64.3	-23.2	0	0	0	110.9	R396 K397 G402	R396-D400 WeakPolarHBondContact O-CB 3.06Å; R396-D400 PolarHBondContact O-N 3.19Å; K397-D400 PolarHBondContact O-N 2.9Å; D400-G402 PolarHBondContact O-N 2.85Å
401	E	67.6	Low	66.5	Low	107 Å²	107	57 Å²	57	50%	0.5	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-2.5	171.4	-70.5	174	-155.6	0	0	113.7	K397 R399 K403	K397-E401 WeakPolarHBondContact O-CB 3.28Å; K397-E401 VanDerWaalsContact O-CG 3.25Å; K397-E401 WeakPolarHBondContact O-CG 3.37Å; K397-E401 PolarHBondContact O-N 2.81Å; R399-E401 VanDerWaalsContact C-N 3.27Å; R399-E401 PolarHBondContact O-N 3.12Å; E401-K403 VanDerWaalsContact C-N 3.31Å; E401-K403 HydrophobicContact CB-CG 4.37Å; E401-K403 PolarHBondContact O-N 2.92Å; E401-K403 IonicContact OE2-NZ 2.83Å; E401-K403 PolarHBondContact OE2-NZ 3.34Å
402	G	66.1	Low	67.9	Low	55 Å²	55	55.6 Å²	55.6	57%	0.567	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	17.6	178	0	0	0	0	0	115.4	L398 R399 D400	L398-G402 PolarHBondContact O-N 2.83Å; R399-G402 WeakPolarHBondContact O-CA 3.49Å; R399-G402 PolarHBondContact O-N 3.06Å; D400-G402 PolarHBondContact O-N 2.85Å
403	K	73.3	Confident	69	Low	31 Å²	31	57.6 Å²	57.6	14%	0.135	28%	0.282	C	S	.	.			trans	-95	8.2	-176.2	-65.8	-177.4	-172.6	144.9	0	114.7	P356 F360 L361 L398 E401	P356-K403 PolarHBondContact O-NZ 2.89Å; F360-K403 CarbonylContact C-O 3.31Å; F360-K403 WeakPolarHBondContact CA-O 3.28Å; F360-K403 HydrophobicContact CD1-CB 4.1Å; F360-K403 WeakPolarHBondContact CD1-O 3.39Å; F360-K403 HydrophobicContact CE1-CB 4.36Å; F360-K403 HydrophobicContact CE1-CG 4.34Å; L361-K403 PolarHBondContact N-O 2.88Å; L398-K403 HydrophobicContact CD2-CB 4.43Å; L398-K403 HydrophobicContact CD2-CD 4.31Å; L398-K403 PolarHBondContact O-N 2.78Å; E401-K403 VanDerWaalsContact C-N 3.31Å; E401-K403 HydrophobicContact CB-CG 4.37Å; E401-K403 PolarHBondContact O-N 2.92Å; E401-K403 IonicContact OE2-NZ 2.83Å; E401-K403 PolarHBondContact OE2-NZ 3.34Å
404	V	76	Confident	70.4	Confident	28 Å²	28	52.5 Å²	52.5	17%	0.17	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123	172.7	-178.8	0	0	0	0	109.2	L361 Q363 L398 R399 E406	L361-V404 CarbonylContact O-C 3.58Å; L361-V404 VanDerWaalsContact O-CA 3.32Å; L361-V404 WeakPolarHBondContact O-CA 3.36Å; Q363-V404 HydrophobicContact CG-CG1 4.48Å; L398-V404 HydrophobicContact CB-CG2 4.24Å; R399-V404 HydrophobicContact CB-CG2 4.02Å; V404-E406 HydrophobicContact CG1-CG 4.27Å
405	I	79.7	Confident	71.7	Confident	16 Å²	16	50.4 Å²	50.4	8%	0.082	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.8	172.8	64.9	175.8	0	0	0	110.1	V231 V236 L253 F360 L361 A362 Q363 P407	V231-I405 HydrophobicContact CG2-CD1 3.9Å; V236-I405 HydrophobicContact CG1-CD1 3.84Å; V236-I405 HydrophobicContact CG2-CD1 4.33Å; L253-I405 HydrophobicContact CD2-CD1 3.85Å; F360-I405 HydrophobicContact CD1-CG2 3.93Å; L361-I405 PolarHBondContact O-N 2.94Å; A362-I405 VanDerWaalsContact CA-O 3.3Å; A362-I405 WeakPolarHBondContact CA-O 3.2Å; A362-I405 HydrophobicContact CB-CD1 4.02Å; A362-I405 HydrophobicContact CB-CG1 3.64Å; Q363-I405 PolarHBondContact N-O 2.91Å; I405-P407 WeakPolarHBondContact O-CD 3.32Å
406	E	81.2	Confident	73	Confident	35 Å²	35	49.8 Å²	49.8	16%	0.164	25%	0.245	C	C	.	.			trans	-122.8	82.2	177.7	-66.1	-179.6	133.2	0	0	108.6	Q363 T365 V404 L408 K409	Q363-E406 HydrophobicContact CB-CG 4.28Å; T365-E406 VanDerWaalsContact CB-OE1 3.22Å; T365-E406 WeakPolarHBondContact CB-OE1 3.23Å; T365-E406 PolarHBondContact OG1-OE1 2.84Å; V404-E406 HydrophobicContact CG1-CG 4.27Å; E406-L408 PolarHBondContact O-N 2.79Å; E406-K409 HydrophobicContact CB-CB 4.12Å; E406-K409 VanDerWaalsContact O-CB 3.3Å; E406-K409 WeakPolarHBondContact O-CB 3.34Å; E406-K409 WeakPolarHBondContact O-CG 3.3Å; E406-K409 PolarHBondContact O-N 2.99Å
407	P	80.4	Confident	74.2	Confident	10 Å²	10	47.3 Å²	47.3	7%	0.065	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-61.5	-30.1	-175.1	-26.1	36.5	0	0	0	113.7	I227 L252 L253 Q363 I405 K409	I227-P407 HydrophobicContact CD1-CB 4.11Å; I227-P407 HydrophobicContact CD1-CG 4.28Å; L252-P407 HydrophobicContact CD2-CB 3.87Å; L253-P407 HydrophobicContact CD2-CG 4.19Å; Q363-P407 WeakPolarHBondContact O-CD 3.22Å; I405-P407 WeakPolarHBondContact O-CD 3.32Å; P407-K409 VanDerWaalsContact C-N 3.32Å
408	L	80.8	Confident	75.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-90.1	5	-176.2	-55.7	-175.5	0	0	0	113.5	D245 V248 C249 L252 T365 L366 E406 D410 F411 V416 L419	D245-L408 HydrophobicContact CB-CD1 4.13Å; D245-L408 VanDerWaalsContact O-CD1 3.24Å; D245-L408 WeakPolarHBondContact O-CD1 3.33Å; V248-L408 HydrophobicContact CG1-CD2 4.29Å; C249-L408 HydrophobicContact CB-CD1 3.96Å; C249-L408 HydrophobicContact CB-CG 4.27Å; L252-L408 HydrophobicContact CD2-CD2 4.23Å; T365-L408 CarbonylContact O-C 3.55Å; L366-L408 HydrophobicContact CD2-CB 3.79Å; L366-L408 HydrophobicContact CD2-CD1 4.22Å; E406-L408 PolarHBondContact O-N 2.79Å; L408-D410 PolarHBondContact O-N 3.29Å; L408-D410 VanDerWaalsContact O-N 3.07Å; L408-F411 HydrophobicContact CD2-CD2 4.31Å; L408-F411 PolarHBondContact O-N 2.96Å; L408-V416 HydrophobicContact CD1-CG1 4.28Å; L408-V416 HydrophobicContact CD1-CG2 4.31Å; L408-V416 HydrophobicContact CD2-CG2 4.46Å; L408-L419 HydrophobicContact CD2-CD2 4.12Å
409	K	76.1	Confident	76.3	Confident	55 Å²	55	41.6 Å²	41.6	24%	0.239	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-57	-26.5	-178.9	69.5	177.8	-179.7	151.2	0	114.1	T365 R367 L370 E406 P407	T365-K409 PolarHBondContact O-N 2.91Å; R367-K409 WeakPolarHBondContact CA-O 3.48Å; R367-K409 WeakPolarHBondContact CB-O 3.42Å; R367-K409 WeakPolarHBondContact CG-O 3.47Å; R367-K409 PolarHBondContact N-O 2.77Å; L370-K409 HydrophobicContact CD1-CB 3.38Å; E406-K409 HydrophobicContact CB-CB 4.12Å; E406-K409 VanDerWaalsContact O-CB 3.3Å; E406-K409 WeakPolarHBondContact O-CB 3.34Å; E406-K409 WeakPolarHBondContact O-CG 3.3Å; E406-K409 PolarHBondContact O-N 2.99Å; P407-K409 VanDerWaalsContact C-N 3.32Å
410	D	73.1	Confident	77.4	Confident	56 Å²	56	37.4 Å²	37.4	30%	0.299	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-99.3	-3.2	-177.7	-74.5	-51.3	0	0	0	113.3	R43 R219 R367 L408	R43-D410 PolarHBondContact NH1-O 3.36Å; R219-D410 PolarHBondContact NH2-O 3.2Å; R367-D410 IonicContact NH1-OD1 2.93Å; R367-D410 PolarHBondContact NH1-OD1 2.95Å; L408-D410 PolarHBondContact O-N 3.29Å; L408-D410 VanDerWaalsContact O-N 3.07Å
411	F	76.4	Confident	78.5	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.018	19%	0.186	C	C	.	.			trans	-104.1	141.2	-175.6	-64.1	-94.1	0	0	0	112.8	R219 C223 L408 E415 V416 L419	R219-F411 HydrophobicContact CB-CE1 4Å; R219-F411 HydrophobicContact CB-CZ 3.94Å; C223-F411 HydrophobicContact CB-CE2 4.39Å; L408-F411 HydrophobicContact CD2-CD2 4.31Å; L408-F411 PolarHBondContact O-N 2.96Å; F411-E415 WeakPolarHBondContact CA-OE2 3.2Å; F411-E415 HydrophobicContact CB-CB 4.45Å; F411-E415 HydrophobicContact CD1-CB 4.11Å; F411-V416 HydrophobicContact CB-CG2 3.74Å; F411-L419 HydrophobicContact CE1-CD2 4.31Å; F411-L419 HydrophobicContact CZ-CD2 4.39Å
412	H	74.4	Confident	79.4	Confident	18 Å²	18	35.6 Å²	35.6	8%	0.083	18%	0.181	C	C	.	.			trans	-85.9	165.4	168.7	-72.4	-76.9	0	0	0	111.3	D39 D414 E415 V416	D39-H412 IonicContact OD2-CE1 3.06Å; D39-H412 PolarHBondContact OD2-CE1 3.47Å; D39-H412 IonicContact OD2-NE2 3.97Å; D39-H412 PolarHBondContact OD2-NE2 2.86Å; H412-D414 VanDerWaalsContact C-N 3.35Å; H412-D414 WeakPolarHBondContact CB-OD1 3.47Å; H412-D414 PolarHBondContact O-N 3.48Å; H412-E415 HydrophobicContact CB-CG 4.2Å; H412-E415 IonicContact CD2-OE2 3.74Å; H412-E415 PolarHBondContact N-OE2 3.24Å; H412-E415 WeakPolarHBondContact O-CB 3.46Å; H412-E415 PolarHBondContact O-N 3.16Å; H412-E415 VanDerWaalsContact O-N 3.15Å; H412-V416 VanDerWaalsContact O-CG2 3.29Å; H412-V416 WeakPolarHBondContact O-CG2 3.3Å; H412-V416 PolarHBondContact O-N 3.46Å
413	K	75.8	Confident	80.3	Confident	61 Å²	61	33.9 Å²	33.9	27%	0.265	16%	0.159	S	C	.	.	H	α-helix	trans	-63.4	-38	-171.8	-167.1	68.8	170.3	-172.5	0	113.6	D245 L366 R417	D245-K413 IonicContact OD1-NZ 3.72Å; D245-K413 PolarHBondContact OD1-NZ 3.26Å; D245-K413 IonicContact OD2-NZ 3.76Å; D245-K413 PolarHBondContact OD2-NZ 2.83Å; L366-K413 HydrophobicContact CD1-CD 3.62Å; K413-R417 WeakPolarHBondContact O-CG 3.19Å; K413-R417 PolarHBondContact O-N 3.15Å
414	D	77.4	Confident	80.8	Confident	51 Å²	51	34.6 Å²	34.6	27%	0.273	18%	0.175	S	C	.	.	H	α-helix	trans	-65.7	-42.4	173.5	41	10.5	0	0	0	111.9	R40 H412 R417 A418	R40-D414 IonicContact CZ-OD2 2.74Å; R40-D414 IonicContact NE-OD2 3.7Å; R40-D414 PolarHBondContact NE-OD2 3.04Å; R40-D414 IonicContact NH2-OD2 2.96Å; R40-D414 PolarHBondContact NH2-OD2 3.11Å; H412-D414 VanDerWaalsContact C-N 3.35Å; H412-D414 WeakPolarHBondContact CB-OD1 3.47Å; H412-D414 PolarHBondContact O-N 3.48Å; D414-R417 WeakPolarHBondContact O-CB 3.2Å; D414-R417 PolarHBondContact O-N 3.33Å; D414-A418 PolarHBondContact O-N 3.11Å
415	E	80.5	Confident	81.3	Confident	20 Å²	20	33.7 Å²	33.7	9%	0.093	17%	0.169	C	C	.	.	H	α-helix	trans	-65.4	-40.3	175.7	-57.1	175.6	150.8	0	0	112.1	R219 F411 H412 R417 A418 L419	R219-E415 IonicContact CZ-OE1 2.96Å; R219-E415 IonicContact CZ-OE2 3.59Å; R219-E415 IonicContact NH1-OE1 3.62Å; R219-E415 PolarHBondContact NH1-OE1 3.1Å; R219-E415 IonicContact NH1-OE2 3.78Å; R219-E415 PolarHBondContact NH1-OE2 3.42Å; R219-E415 IonicContact NH2-OE1 3.71Å; R219-E415 IonicContact NH2-OE2 3.68Å; R219-E415 PolarHBondContact NH2-OE2 2.88Å; F411-E415 WeakPolarHBondContact CA-OE2 3.2Å; F411-E415 HydrophobicContact CB-CB 4.45Å; F411-E415 HydrophobicContact CD1-CB 4.11Å; H412-E415 HydrophobicContact CB-CG 4.2Å; H412-E415 IonicContact CD2-OE2 3.74Å; H412-E415 PolarHBondContact N-OE2 3.24Å; H412-E415 WeakPolarHBondContact O-CB 3.46Å; H412-E415 PolarHBondContact O-N 3.16Å; H412-E415 VanDerWaalsContact O-N 3.15Å; E415-R417 PolarHBondContact O-N 3.01Å; E415-A418 PolarHBondContact O-N 3Å; E415-L419 VanDerWaalsContact O-CB 3.26Å; E415-L419 WeakPolarHBondContact O-CB 3.39Å; E415-L419 PolarHBondContact O-N 3.46Å
416	V	83.8	Confident	81.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-35.9	174	171.3	0	0	0	0	110.8	V244 V248 L366 L408 F411 H412 G420	V244-V416 HydrophobicContact CG1-CG1 4.44Å; V248-V416 HydrophobicContact CB-CG1 3.97Å; V248-V416 HydrophobicContact CG1-CG1 4.01Å; V248-V416 HydrophobicContact CG2-CG1 3.95Å; L366-V416 HydrophobicContact CD2-CG2 3.64Å; L408-V416 HydrophobicContact CD1-CG1 4.28Å; L408-V416 HydrophobicContact CD1-CG2 4.31Å; L408-V416 HydrophobicContact CD2-CG2 4.46Å; F411-V416 HydrophobicContact CB-CG2 3.74Å; H412-V416 VanDerWaalsContact O-CG2 3.29Å; H412-V416 WeakPolarHBondContact O-CG2 3.3Å; H412-V416 PolarHBondContact O-N 3.46Å; V416-G420 PolarHBondContact O-N 2.87Å
417	R	84.3	Confident	81.5	Confident	73 Å²	73	38.4 Å²	38.4	28%	0.275	20%	0.196	S	C	.	.	H	α-helix	trans	-67.8	-48.2	174.1	-69.7	178.6	-177.8	143.5	-2.4	111.6	K413 D414 E415 L419 G420 R421 V430	K413-R417 WeakPolarHBondContact O-CG 3.19Å; K413-R417 PolarHBondContact O-N 3.15Å; D414-R417 WeakPolarHBondContact O-CB 3.2Å; D414-R417 PolarHBondContact O-N 3.33Å; E415-R417 PolarHBondContact O-N 3.01Å; R417-L419 VanDerWaalsContact C-N 3.28Å; R417-L419 PolarHBondContact O-N 2.96Å; R417-G420 PolarHBondContact O-N 3.41Å; R417-G420 VanDerWaalsContact O-N 3.14Å; R417-R421 PolarHBondContact O-N 3.45Å; R417-V430 VanDerWaalsContact CA-CG1 3.45Å; R417-V430 HydrophobicContact CB-CG1 3.61Å; R417-V430 HydrophobicContact CG-CG1 3.96Å; R417-V430 WeakPolarHBondContact CG-O 3.44Å; R417-V430 WeakPolarHBondContact O-CG1 3.26Å
418	A	83.9	Confident	81.3	Confident	27 Å²	27	43.7 Å²	43.7	22%	0.223	22%	0.22	C	C	.	.	H	α-helix	trans	-57.1	-44.3	175.8	0	0	0	0	0	111.5	D414 E415 G420 R421 E422	D414-A418 PolarHBondContact O-N 3.11Å; E415-A418 PolarHBondContact O-N 3Å; A418-G420 VanDerWaalsContact C-N 3.35Å; A418-G420 PolarHBondContact O-N 3.09Å; A418-R421 WeakPolarHBondContact O-CB 3.44Å; A418-R421 PolarHBondContact O-N 2.98Å; A418-R421 VanDerWaalsContact O-N 3.15Å; A418-E422 PolarHBondContact O-N 3.1Å; A418-E422 VanDerWaalsContact O-N 3.11Å
419	L	85.8	Confident	81.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-43.2	175.6	-177.1	63.7	0	0	0	111.7	V216 Q220 V248 L252 L408 F411 E415 R417 R421 E422 L423	V216-L419 HydrophobicContact CG1-CB 4.23Å; V216-L419 HydrophobicContact CG1-CD1 4.4Å; Q220-L419 HydrophobicContact CB-CD1 3.84Å; Q220-L419 HydrophobicContact CG-CD1 3.65Å; Q220-L419 VanDerWaalsContact OE1-CD1 3.24Å; V248-L419 HydrophobicContact CG1-CB 4.4Å; V248-L419 HydrophobicContact CG1-CD2 3.85Å; V248-L419 HydrophobicContact CG1-CG 4.05Å; L252-L419 HydrophobicContact CD2-CD2 4.35Å; L408-L419 HydrophobicContact CD2-CD2 4.12Å; F411-L419 HydrophobicContact CE1-CD2 4.31Å; F411-L419 HydrophobicContact CZ-CD2 4.39Å; E415-L419 VanDerWaalsContact O-CB 3.26Å; E415-L419 WeakPolarHBondContact O-CB 3.39Å; E415-L419 PolarHBondContact O-N 3.46Å; R417-L419 VanDerWaalsContact C-N 3.28Å; R417-L419 PolarHBondContact O-N 2.96Å; L419-R421 VanDerWaalsContact C-N 3.26Å; L419-R421 PolarHBondContact O-N 3.44Å; L419-E422 PolarHBondContact O-N 3.02Å; L419-L423 HydrophobicContact CD1-CD1 4.35Å; L419-L423 HydrophobicContact CD1-CG 4.37Å; L419-L423 HydrophobicContact CG-CD1 3.95Å; L419-L423 HydrophobicContact CG-CG 4.38Å; L419-L423 WeakPolarHBondContact O-CB 3.31Å; L419-L423 VanDerWaalsContact O-CG 3.23Å; L419-L423 WeakPolarHBondContact O-CG 3.41Å; L419-L423 PolarHBondContact O-N 3.37Å
420	G	85.8	Confident	81.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.8	-39.3	175.2	0	0	0	0	0	113.2	V416 R417 A418 L423 G424 L425	V416-G420 PolarHBondContact O-N 2.87Å; R417-G420 PolarHBondContact O-N 3.41Å; R417-G420 VanDerWaalsContact O-N 3.14Å; A418-G420 VanDerWaalsContact C-N 3.35Å; A418-G420 PolarHBondContact O-N 3.09Å; G420-L423 PolarHBondContact O-N 3.19Å; G420-G424 PolarHBondContact O-N 3.45Å; G420-L425 VanDerWaalsContact O-CB 3.32Å; G420-L425 WeakPolarHBondContact O-CB 3.48Å; G420-L425 PolarHBondContact O-N 2.9Å
421	R	86.9	Confident	81.8	Confident	121 Å²	121	41.1 Å²	41.1	46%	0.457	21%	0.212	S	C	.	.	H	α-helix	trans	-66.6	-44.3	175.4	-60.6	-179.7	-172.9	132.1	-2.7	112.1	R417 A418 L419 L423 G424 E427 V430	R417-R421 PolarHBondContact O-N 3.45Å; A418-R421 WeakPolarHBondContact O-CB 3.44Å; A418-R421 PolarHBondContact O-N 2.98Å; A418-R421 VanDerWaalsContact O-N 3.15Å; L419-R421 VanDerWaalsContact C-N 3.26Å; L419-R421 PolarHBondContact O-N 3.44Å; R421-L423 PolarHBondContact O-N 2.96Å; R421-G424 PolarHBondContact O-N 3.47Å; R421-E427 VanDerWaalsContact CD-OE2 3.3Å; R421-E427 WeakPolarHBondContact CD-OE2 3.08Å; R421-E427 VanDerWaalsContact CG-OE2 3.31Å; R421-E427 WeakPolarHBondContact CG-OE2 3.42Å; R421-E427 IonicContact CZ-OE1 3.68Å; R421-E427 VanDerWaalsContact CZ-OE1 3.22Å; R421-E427 IonicContact CZ-OE2 2.71Å; R421-E427 VanDerWaalsContact NE-CD 3.29Å; R421-E427 IonicContact NE-OE1 3.95Å; R421-E427 PolarHBondContact NE-OE1 3.07Å; R421-E427 IonicContact NE-OE2 3.05Å; R421-E427 PolarHBondContact NE-OE2 3.01Å; R421-E427 IonicContact NH2-OE1 3.59Å; R421-E427 PolarHBondContact NH2-OE1 3.43Å; R421-V430 HydrophobicContact CG-CG1 4.25Å
422	E	85.7	Confident	81.9	Confident	86 Å²	86	42.3 Å²	42.3	40%	0.402	22%	0.217	S	C	.	.	H	α-helix	trans	-64.3	-28.7	176.8	-70.9	-173.2	-164.8	0	0	112.7	H217 A418 L419 G424	H217-E422 IonicContact ND1-OE2 3.27Å; A418-E422 PolarHBondContact O-N 3.1Å; A418-E422 VanDerWaalsContact O-N 3.11Å; L419-E422 PolarHBondContact O-N 3.02Å; E422-G424 PolarHBondContact O-N 3.03Å
423	L	85	Confident	82.1	Confident	19 Å²	19	42.2 Å²	42.2	10%	0.099	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-1.8	174.5	-65.8	173.3	0	0	0	113.4	V248 A251 L252 K255 L419 G420 R421	V248-L423 HydrophobicContact CG1-CD1 4.05Å; A251-L423 HydrophobicContact CB-CB 4.23Å; A251-L423 HydrophobicContact CB-CD1 3.95Å; L252-L423 HydrophobicContact CB-CD1 4.06Å; L252-L423 HydrophobicContact CD1-CD1 4.5Å; L252-L423 HydrophobicContact CD1-CD2 4.4Å; K255-L423 HydrophobicContact CB-CD2 4.25Å; K255-L423 HydrophobicContact CD-CD2 3.35Å; K255-L423 HydrophobicContact CG-CD2 4.46Å; L419-L423 HydrophobicContact CD1-CD1 4.35Å; L419-L423 HydrophobicContact CD1-CG 4.37Å; L419-L423 HydrophobicContact CG-CD1 3.95Å; L419-L423 HydrophobicContact CG-CG 4.38Å; L419-L423 WeakPolarHBondContact O-CB 3.31Å; L419-L423 VanDerWaalsContact O-CG 3.23Å; L419-L423 WeakPolarHBondContact O-CG 3.41Å; L419-L423 PolarHBondContact O-N 3.37Å; G420-L423 PolarHBondContact O-N 3.19Å; R421-L423 PolarHBondContact O-N 2.96Å
424	G	83.8	Confident	82	Confident	46 Å²	46	40.8 Å²	40.8	47%	0.474	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	16.3	178	0	0	0	0	0	114.6	G420 R421 E422	G420-G424 PolarHBondContact O-N 3.45Å; R421-G424 PolarHBondContact O-N 3.47Å; E422-G424 PolarHBondContact O-N 3.03Å
425	L	85.8	Confident	81.7	Confident	9 Å²	9	39.3 Å²	39.3	5%	0.047	20%	0.204	C	C	.	.			trans	-70.3	141.7	173.7	-71	165.5	0	0	0	110.5	T247 V248 A251 L284 L287 G420 E427 V430	T247-L425 HydrophobicContact CG2-CD1 4.05Å; T247-L425 HydrophobicContact CG2-CD2 3.7Å; V248-L425 HydrophobicContact CB-CD1 4.49Å; V248-L425 HydrophobicContact CG2-CD1 3.75Å; A251-L425 HydrophobicContact CB-CD1 4.14Å; A251-L425 HydrophobicContact CB-CG 4.4Å; L284-L425 HydrophobicContact CD2-CD2 4.4Å; L287-L425 HydrophobicContact CD1-CD2 3.48Å; L287-L425 VanDerWaalsContact CD1-CD2 3.48Å; L287-L425 HydrophobicContact CD1-CG 4.04Å; G420-L425 VanDerWaalsContact O-CB 3.32Å; G420-L425 WeakPolarHBondContact O-CB 3.48Å; G420-L425 PolarHBondContact O-N 2.9Å; L425-E427 PolarHBondContact O-N 3.45Å; L425-V430 HydrophobicContact CB-CG2 3.66Å
426	P	84.9	Confident	80.7	Confident	57 Å²	57	39.7 Å²	39.7	37%	0.37	21%	0.209	S	C	.	.			trans	-57	137.6	175.1	-24.1	32.3	0	0	0	112.3	A283 E428 I429 V430	A283-P426 HydrophobicContact CB-CG 4.03Å; P426-E428 PolarHBondContact O-N 3.45Å; P426-E428 VanDerWaalsContact O-N 3.1Å; P426-I429 HydrophobicContact CG-CD1 4.26Å; P426-I429 PolarHBondContact O-N 2.96Å; P426-V430 PolarHBondContact O-N 3.31Å
427	E	80.4	Confident	79	Confident	94 Å²	94	42 Å²	42	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-55.4	-33.3	178.4	-165.9	68.3	-173.3	0	0	111.7	R421 L425 I429 V430 C431	R421-E427 VanDerWaalsContact CD-OE2 3.3Å; R421-E427 WeakPolarHBondContact CD-OE2 3.08Å; R421-E427 VanDerWaalsContact CG-OE2 3.31Å; R421-E427 WeakPolarHBondContact CG-OE2 3.42Å; R421-E427 IonicContact CZ-OE1 3.68Å; R421-E427 VanDerWaalsContact CZ-OE1 3.22Å; R421-E427 IonicContact CZ-OE2 2.71Å; R421-E427 VanDerWaalsContact NE-CD 3.29Å; R421-E427 IonicContact NE-OE1 3.95Å; R421-E427 PolarHBondContact NE-OE1 3.07Å; R421-E427 IonicContact NE-OE2 3.05Å; R421-E427 PolarHBondContact NE-OE2 3.01Å; R421-E427 IonicContact NH2-OE1 3.59Å; R421-E427 PolarHBondContact NH2-OE1 3.43Å; L425-E427 PolarHBondContact O-N 3.45Å; E427-I429 PolarHBondContact O-N 3.37Å; E427-V430 PolarHBondContact O-N 3.47Å; E427-C431 WeakPolarHBondContact O-CB 3.4Å; E427-C431 PolarHBondContact O-N 2.96Å; E427-C431 PolarHBondContact OE1-SG 3.31Å
428	E	77.2	Confident	77.7	Confident	120 Å²	120	40.6 Å²	40.6	56%	0.561	23%	0.231	S	C	*	.	H	α-helix	trans	-62.8	-20.3	176.2	-63.9	-171.5	-160.4	0	0	115.1	P426 R432 R598	P426-E428 PolarHBondContact O-N 3.45Å; P426-E428 VanDerWaalsContact O-N 3.1Å; E428-R432 WeakPolarHBondContact O-CG 3.48Å; E428-R432 PolarHBondContact O-NE 2.95Å; E428-R598 IonicContact OE2-NH1 3.21Å; E428-R598 PolarHBondContact OE2-NH1 2.92Å
429	I	79.8	Confident	76.7	Confident	4 Å²	4	40 Å²	40	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-93.5	-45.1	175.2	-65.5	177.4	0	0	0	109.5	V244 T247 A283 P426 E427 R432	V244-I429 WeakPolarHBondContact CG2-O 3.27Å; T247-I429 HydrophobicContact CG2-CG2 4.25Å; A283-I429 HydrophobicContact CB-CD1 3.24Å; P426-I429 HydrophobicContact CG-CD1 4.26Å; P426-I429 PolarHBondContact O-N 2.96Å; E427-I429 PolarHBondContact O-N 3.37Å; I429-R432 WeakPolarHBondContact O-CB 3.36Å; I429-R432 VanDerWaalsContact O-CG 3.27Å; I429-R432 WeakPolarHBondContact O-CG 3.48Å; I429-R432 PolarHBondContact O-N 3.39Å
430	V	81.7	Confident	76.3	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-42.2	-175.7	-179.7	0	0	0	0	111.9	R417 R421 L425 P426 E427 R432	R417-V430 VanDerWaalsContact CA-CG1 3.45Å; R417-V430 HydrophobicContact CB-CG1 3.61Å; R417-V430 HydrophobicContact CG-CG1 3.96Å; R417-V430 WeakPolarHBondContact CG-O 3.44Å; R417-V430 WeakPolarHBondContact O-CG1 3.26Å; R421-V430 HydrophobicContact CG-CG1 4.25Å; L425-V430 HydrophobicContact CB-CG2 3.66Å; P426-V430 PolarHBondContact O-N 3.31Å; E427-V430 PolarHBondContact O-N 3.47Å; V430-R432 PolarHBondContact O-N 3.47Å
431	C	77.8	Confident	76.1	Confident	53 Å²	53	40 Å²	40	36%	0.358	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	14.8	179.6	-75.9	0	0	0	0	114	E427	E427-C431 WeakPolarHBondContact O-CB 3.4Å; E427-C431 PolarHBondContact O-N 2.96Å; E427-C431 PolarHBondContact OE1-SG 3.31Å
432	R	78.8	Confident	75.7	Confident	30 Å²	30	34.7 Å²	34.7	11%	0.113	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-63.7	143.6	176.6	-72.1	-178.9	-178.2	177.1	1.4	111.3	V244 E276 S279 E428 I429 V430	V244-R432 HydrophobicContact CG2-CB 4.17Å; E276-R432 IonicContact OE1-NH1 3.24Å; S279-R432 PolarHBondContact OG-NH2 3.16Å; E428-R432 WeakPolarHBondContact O-CG 3.48Å; E428-R432 PolarHBondContact O-NE 2.95Å; I429-R432 WeakPolarHBondContact O-CB 3.36Å; I429-R432 VanDerWaalsContact O-CG 3.27Å; I429-R432 WeakPolarHBondContact O-CG 3.48Å; I429-R432 PolarHBondContact O-N 3.39Å; V430-R432 PolarHBondContact O-N 3.47Å
433	H	78.8	Confident	75.5	Confident	15 Å²	15	31 Å²	31	7%	0.069	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-61.6	143.6	165.6	-63.3	152.8	0	0	0	109.9	F435 S603 I606 S607 Q608	H433-F435 PolarHBondContact O-N 3.35Å; H433-S603 PolarHBondContact NE2-O 3.47Å; H433-I606 PolarHBondContact CD2-O 3.15Å; H433-I606 PolarHBondContact NE2-O 3.43Å; H433-S607 PolarHBondContact CD2-O 3.26Å; H433-S607 VanDerWaalsContact CD2-O 3.27Å; H433-Q608 HydrophobicContact CB-CG 4.26Å
434	P	73.3	Confident	75.7	Confident	32 Å²	32	30.2 Å²	30.2	21%	0.208	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-50.7	135.8	171.3	-26	35.6	0	0	0	110.9	Q608 F643	P434-Q608 WeakPolarHBondContact O-CG 3.32Å; P434-Q608 PolarHBondContact O-NE2 3.46Å; P434-F643 HydrophobicContact CG-CE1 4.49Å; P434-F643 HydrophobicContact CG-CZ 3.86Å
435	F	71	Confident	75.9	Confident	19 Å²	19	28 Å²	28	8%	0.083	16%	0.163	C	C	.	.			trans	-114.2	137.2	172.3	-168.3	-114	0	0	0	106.9	M272 R273 H433 V437 G440 L441	M272-F435 HydrophobicContact CE-CE1 4.42Å; M272-F435 HydrophobicContact SD-CE1 4.08Å; R273-F435 HydrophobicContact CG-CD2 4.25Å; R273-F435 HydrophobicContact CG-CE2 3.63Å; R273-F435 HydrophobicContact CG-CZ 4.03Å; H433-F435 PolarHBondContact O-N 3.35Å; F435-V437 VanDerWaalsContact O-CG2 3.23Å; F435-V437 WeakPolarHBondContact O-CG2 3.32Å; F435-V437 PolarHBondContact O-N 3.34Å; F435-G440 VanDerWaalsContact CE1-CA 3.4Å; F435-G440 VanDerWaalsContact CZ-CA 3.43Å; F435-L441 HydrophobicContact CE2-CD2 4.37Å; F435-L441 HydrophobicContact CZ-CD2 4.48Å; F435-L441 HydrophobicContact CZ-CG 4.26Å
436	P	59.8	Low	76	Confident	28 Å²	28	28 Å²	28	18%	0.182	16%	0.162	C	C	.	.			trans	-68	86.8	172.8	28.3	-33.1	0	0	0	107.9	G438 P439 G440 I443	P436-G438 PolarHBondContact O-N 3.46Å; P436-G438 VanDerWaalsContact O-N 3.11Å; P436-P439 HydrophobicContact CB-CG 4.37Å; P436-G440 WeakPolarHBondContact O-CA 3.36Å; P436-G440 PolarHBondContact O-N 2.85Å; P436-I443 HydrophobicContact CB-CD1 3.78Å; P436-I443 HydrophobicContact CG-CD1 3.85Å; P436-I443 HydrophobicContact CG-CG1 4.24Å
437	V	48.3	Very low	76.1	Confident	49 Å²	49	26.8 Å²	26.8	30%	0.297	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22	-168.3	173.1	0	0	0	0	113.1	S241 F435	S241-V437 WeakPolarHBondContact OG-CG1 3.35Å; F435-V437 VanDerWaalsContact O-CG2 3.23Å; F435-V437 WeakPolarHBondContact O-CG2 3.32Å; F435-V437 PolarHBondContact O-N 3.34Å
438	G	58.2	Low	76.3	Confident	44 Å²	44	23 Å²	23	45%	0.454	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-82.1	171.8	0	0	0	0	0	112.2	N269 P436	N269-G438 PolarHBondContact ND2-O 3.18Å; P436-G438 PolarHBondContact O-N 3.46Å; P436-G438 VanDerWaalsContact O-N 3.11Å
439	P	63	Low	76.7	Confident	14 Å²	14	23 Å²	23	9%	0.091	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-22.8	-176.9	25.9	-31.2	0	0	0	114.4	F271 P436 L441 S442 I443	F271-P439 WeakPolarHBondContact CB-O 3.29Å; P436-P439 HydrophobicContact CB-CG 4.37Å; P439-L441 PolarHBondContact O-N 3.04Å; P439-S442 WeakPolarHBondContact CA-OG 3.34Å; P439-S442 WeakPolarHBondContact CB-OG 3.35Å; P439-S442 VanDerWaalsContact O-CB 3.29Å; P439-S442 WeakPolarHBondContact O-CB 3.48Å; P439-S442 PolarHBondContact O-N 3.38Å; P439-S442 PolarHBondContact O-OG 3.16Å; P439-I443 HydrophobicContact CB-CB 4.38Å; P439-I443 HydrophobicContact CB-CD1 4.48Å; P439-I443 HydrophobicContact CB-CG1 4.04Å; P439-I443 HydrophobicContact CB-CG2 3.66Å; P439-I443 HydrophobicContact CG-CB 4.4Å; P439-I443 HydrophobicContact CG-CD1 3.68Å; P439-I443 HydrophobicContact CG-CG1 3.78Å; P439-I443 HydrophobicContact CG-CG2 3.81Å
440	G	76.8	Confident	77	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	59.1	-125.4	179.2	0	0	0	0	0	112.9	F435 P436 S442 I443	F435-G440 VanDerWaalsContact CE1-CA 3.4Å; F435-G440 VanDerWaalsContact CZ-CA 3.43Å; P436-G440 WeakPolarHBondContact O-CA 3.36Å; P436-G440 PolarHBondContact O-N 2.85Å; G440-S442 PolarHBondContact O-N 3.47Å; G440-I443 WeakPolarHBondContact O-CG1 3.49Å
441	L	82.2	Confident	77.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-71.2	-9.6	175.1	-66.3	176.8	0	0	0	114	F271 F435 P439 I443 R444 L583 L586 R587	F271-L441 HydrophobicContact CB-CB 4.38Å; F271-L441 WeakPolarHBondContact O-CB 3.49Å; F271-L441 WeakPolarHBondContact O-CG 3.46Å; F271-L441 PolarHBondContact O-N 2.77Å; F435-L441 HydrophobicContact CE2-CD2 4.37Å; F435-L441 HydrophobicContact CZ-CD2 4.48Å; F435-L441 HydrophobicContact CZ-CG 4.26Å; P439-L441 PolarHBondContact O-N 3.04Å; L441-I443 VanDerWaalsContact C-N 3.32Å; L441-I443 PolarHBondContact O-N 2.98Å; L441-R444 PolarHBondContact O-N 2.88Å; L441-R444 VanDerWaalsContact O-N 3.07Å; L441-L583 HydrophobicContact CB-CD2 4.36Å; L441-L586 HydrophobicContact CB-CD2 4.18Å; L441-L586 HydrophobicContact CD2-CD2 4.03Å; L441-L586 HydrophobicContact CD2-CG 4.22Å; L441-R587 HydrophobicContact CD1-CG 3.36Å
442	S	77.9	Confident	77.8	Confident	9 Å²	9	33 Å²	33	6%	0.063	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-65.4	-36.6	-177.9	72.7	0	0	0	0	112.3	D337 P439 G440 R444	D337-S442 PolarHBondContact OD2-OG 3.27Å; P439-S442 WeakPolarHBondContact CA-OG 3.34Å; P439-S442 WeakPolarHBondContact CB-OG 3.35Å; P439-S442 VanDerWaalsContact O-CB 3.29Å; P439-S442 WeakPolarHBondContact O-CB 3.48Å; P439-S442 PolarHBondContact O-N 3.38Å; P439-S442 PolarHBondContact O-OG 3.16Å; G440-S442 PolarHBondContact O-N 3.47Å; S442-R444 PolarHBondContact O-N 3.38Å
443	I	81.6	Confident	78.2	Confident	10 Å²	10	35.5 Å²	35.5	5%	0.051	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-86.6	15.7	173.1	61.3	161.2	0	0	0	113.9	P436 P439 G440 L441 E689 E691	P436-I443 HydrophobicContact CB-CD1 3.78Å; P436-I443 HydrophobicContact CG-CD1 3.85Å; P436-I443 HydrophobicContact CG-CG1 4.24Å; P439-I443 HydrophobicContact CB-CB 4.38Å; P439-I443 HydrophobicContact CB-CD1 4.48Å; P439-I443 HydrophobicContact CB-CG1 4.04Å; P439-I443 HydrophobicContact CB-CG2 3.66Å; P439-I443 HydrophobicContact CG-CB 4.4Å; P439-I443 HydrophobicContact CG-CD1 3.68Å; P439-I443 HydrophobicContact CG-CG1 3.78Å; P439-I443 HydrophobicContact CG-CG2 3.81Å; G440-I443 WeakPolarHBondContact O-CG1 3.49Å; L441-I443 VanDerWaalsContact C-N 3.32Å; L441-I443 PolarHBondContact O-N 2.98Å; I443-E689 HydrophobicContact CD1-CB 4.16Å; I443-E689 HydrophobicContact CD1-CG 3.95Å; I443-E691 HydrophobicContact CB-CB 4.08Å; I443-E691 HydrophobicContact CB-CG 3.77Å; I443-E691 VanDerWaalsContact CD1-OE1 3.31Å; I443-E691 WeakPolarHBondContact CD1-OE1 3.26Å; I443-E691 HydrophobicContact CG2-CB 4.25Å; I443-E691 HydrophobicContact CG2-CG 4.04Å; I443-E691 WeakPolarHBondContact CG2-OE1 3.29Å; I443-E691 WeakPolarHBondContact O-CA 3.44Å; I443-E691 PolarHBondContact O-N 3.47Å
444	R	87.9	Confident	78.6	Confident	1 Å²	1	37.2 Å²	37.2	0%	0.004	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-118.9	9	173.5	-65.5	-174.2	177.7	179.9	3.5	111.8	L441 S442 L586 D590 I612 L613 E689	L441-R444 PolarHBondContact O-N 2.88Å; L441-R444 VanDerWaalsContact O-N 3.07Å; S442-R444 PolarHBondContact O-N 3.38Å; R444-L586 HydrophobicContact CB-CD2 3.93Å; R444-L586 WeakPolarHBondContact O-CD2 3.48Å; R444-D590 IonicContact NH1-OD1 3.45Å; R444-I612 CarbonylContact O-C 3.57Å; R444-I612 VanDerWaalsContact O-CA 3.28Å; R444-I612 WeakPolarHBondContact O-CA 3.44Å; R444-I612 WeakPolarHBondContact O-CG2 3.46Å; R444-L613 PolarHBondContact O-N 2.76Å; R444-E689 IonicContact CZ-OE1 2.91Å; R444-E689 IonicContact CZ-OE2 3.81Å; R444-E689 IonicContact NE-OE1 2.68Å; R444-E689 IonicContact NE-OE2 3.35Å; R444-E689 PolarHBondContact NE-OE2 3.39Å; R444-E689 IonicContact NH2-OE1 3.64Å; R444-E689 PolarHBondContact NH2-OE1 3.29Å; R444-E689 IonicContact NH2-OE2 3.7Å
445	V	88.2	Confident	79.2	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-121.2	108.2	174.2	-179.7	0	0	0	0	107.5	C447 T576 L578 V582 L583 L586	V445-C447 PolarHBondContact O-N 2.89Å; V445-C447 PolarHBondContact O-SG 3.06Å; V445-C447 VanDerWaalsContact O-SG 3.35Å; V445-T576 HydrophobicContact CG1-CG2 3.81Å; V445-L578 HydrophobicContact CB-CD2 3.91Å; V445-L578 HydrophobicContact CG1-CD2 4.32Å; V445-L578 HydrophobicContact CG2-CD2 4.24Å; V445-V582 HydrophobicContact CG1-CG1 3.76Å; V445-V582 HydrophobicContact CG2-CG1 4.41Å; V445-L583 HydrophobicContact CG2-CD2 4.29Å; V445-L586 HydrophobicContact CG2-CD2 3.39Å
446	I	88.8	Confident	79.9	Confident	7 Å²	7	48.4 Å²	48.4	4%	0.036	26%	0.261	C	S	.	.			trans	-67	102.2	171.8	-54.7	-54.8	0	0	0	107.7	I512 I612 L613 T614 P615 W690 E691	I446-I512 HydrophobicContact CG2-CB 4.28Å; I446-I512 HydrophobicContact CG2-CG2 4.35Å; I446-I612 HydrophobicContact CD1-CG2 4.34Å; I446-I612 HydrophobicContact CG1-CG2 4.07Å; I446-L613 PolarHBondContact N-O 2.79Å; I446-T614 HydrophobicContact CG1-CG2 4.06Å; I446-P615 HydrophobicContact CG2-CG 4.29Å; I446-P615 WeakPolarHBondContact O-CD 3.3Å; I446-W690 HydrophobicContact CD1-CB 4.17Å; I446-E691 VanDerWaalsContact CD1-C 3.45Å; I446-E691 WeakPolarHBondContact CD1-O 3.45Å
447	C	86.8	Confident	81.2	Confident	33 Å²	33	48.3 Å²	48.3	22%	0.223	26%	0.258	C	S	.	.			trans	-85	128.7	178	-65	0	0	0	0	109.3	L328 V445 T576	L328-C447 WeakPolarHBondContact CD2-O 3.34Å; V445-C447 PolarHBondContact O-N 2.89Å; V445-C447 PolarHBondContact O-SG 3.06Å; V445-C447 VanDerWaalsContact O-SG 3.35Å; C447-T576 CarbonylContact C-O 3.35Å; C447-T576 WeakPolarHBondContact CA-O 3.28Å; C447-T576 WeakPolarHBondContact CB-O 3.49Å
448	A	84.4	Confident	83	Confident	15 Å²	15	49 Å²	49	12%	0.124	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-157.2	143	178.6	0	0	0	0	0	110.8	I573 P575 T576 P615	A448-I573 HydrophobicContact CB-CD1 3.24Å; A448-P575 WeakPolarHBondContact O-CA 3.39Å; A448-T576 PolarHBondContact N-O 2.75Å; A448-T576 PolarHBondContact O-N 2.82Å; A448-P615 HydrophobicContact CB-CG 4.16Å
449	E	84.9	Confident	84.4	Confident	119 Å²	119	50.8 Å²	50.8	56%	0.556	27%	0.265	S	S	*	.	S	Bend	trans	-108.4	-41.6	174.1	-174.3	172	-171.9	0	0	110.8	F577	E449-F577 HydrophobicContact CB-CZ 4Å; E449-F577 HydrophobicContact CG-CZ 4.27Å
450	E	86.8	Confident	85.5	Confident	160 Å²	160	50.4 Å²	50.4	75%	0.748	26%	0.263	S	S	*	.	S	Bend	trans	-112	147.6	174.8	-64.1	-174.3	165	0	0	112.7	I573	E450-I573 WeakPolarHBondContact O-CD1 3.23Å
451	P	88.8	Confident	86.2	Confident	52 Å²	52	51.9 Å²	51.9	34%	0.338	27%	0.271	S	S	.	.			trans	-66.1	135.8	176.9	28	-34	0	0	0	110.7	I453 P511 T571 I573	P451-I453 HydrophobicContact CB-CD1 4.2Å; P451-I453 HydrophobicContact CB-CG1 4.32Å; P451-I453 HydrophobicContact CG-CD1 4.36Å; P451-I453 PolarHBondContact O-N 3.47Å; P451-I453 VanDerWaalsContact O-N 3.15Å; P451-P511 HydrophobicContact CB-CB 3.89Å; P451-P511 HydrophobicContact CB-CG 4.47Å; P451-T571 VanDerWaalsContact CB-O 3.28Å; P451-T571 WeakPolarHBondContact CB-O 3.19Å; P451-I573 HydrophobicContact CB-CG1 4.39Å; P451-I573 HydrophobicContact CB-CG2 4.15Å
452	Y	87.8	Confident	86.4	Confident	54 Å²	54	56 Å²	56	21%	0.212	29%	0.292	C	S	.	.			trans	-79.8	102.3	176.6	180	-124.6	0	0	0	110.6	C454 P511 K513 Y526	Y452-C454 WeakPolarHBondContact CE2-SG 3.12Å; Y452-C454 VanDerWaalsContact CZ-SG 3.55Å; Y452-P511 PolarHBondContact N-O 3.47Å; Y452-P511 WeakPolarHBondContact O-CA 3.46Å; Y452-K513 HydrophobicContact CD1-CD 4.36Å; Y452-K513 HydrophobicContact CD1-CG 3.39Å; Y452-K513 HydrophobicContact CD2-CD 4.14Å; Y452-K513 HydrophobicContact CD2-CG 3.99Å; Y452-K513 HydrophobicContact CE1-CD 4.44Å; Y452-K513 HydrophobicContact CE1-CG 3.7Å; Y452-K513 HydrophobicContact CE2-CD 4.25Å; Y452-K513 HydrophobicContact CE2-CG 4.26Å; Y452-K513 HydrophobicContact CG-CD 4.19Å; Y452-K513 HydrophobicContact CG-CG 3.53Å; Y452-K513 VanDerWaalsContact CZ-CE 3.49Å; Y452-Y526 AromaticContact CD1-CD1 3.64Å; Y452-Y526 HydrophobicContact CD1-CD1 3.64Å; Y452-Y526 AromaticContact CD1-CE1 3.25Å; Y452-Y526 HydrophobicContact CD1-CE1 3.25Å; Y452-Y526 AromaticContact CD1-CZ 3.92Å; Y452-Y526 AromaticContact CE1-CD1 3.73Å; Y452-Y526 HydrophobicContact CE1-CD1 3.73Å; Y452-Y526 HydrophobicContact CE1-CD2 4.43Å; Y452-Y526 AromaticContact CE1-CE1 3.31Å; Y452-Y526 HydrophobicContact CE1-CE1 3.31Å; Y452-Y526 HydrophobicContact CE1-CE2 4.1Å; Y452-Y526 HydrophobicContact CE1-CG 4.25Å; Y452-Y526 AromaticContact CE1-CZ 3.51Å; Y452-Y526 HydrophobicContact CG-CE1 4.15Å; Y452-Y526 WeakPolarHBondContact O-CE1 3.35Å
453	I	87.3	Confident	86.8	Confident	84 Å²	84	56.3 Å²	56.3	43%	0.431	29%	0.293	S	S	.	.			trans	-134.4	122.3	179.1	-58.4	176.4	0	0	0	108.4	P451 F457 P511	P451-I453 HydrophobicContact CB-CD1 4.2Å; P451-I453 HydrophobicContact CB-CG1 4.32Å; P451-I453 HydrophobicContact CG-CD1 4.36Å; P451-I453 PolarHBondContact O-N 3.47Å; P451-I453 VanDerWaalsContact O-N 3.15Å; I453-F457 HydrophobicContact CG1-CD2 4.47Å; I453-F457 HydrophobicContact CG2-CB 3.81Å; I453-F457 HydrophobicContact CG2-CD1 4.16Å; I453-F457 HydrophobicContact CG2-CD2 4.39Å; I453-F457 HydrophobicContact CG2-CG 3.88Å; I453-P511 HydrophobicContact CG1-CB 4.23Å
454	C	87.1	Confident	87.2	Confident	51 Å²	51	55.9 Å²	55.9	35%	0.345	29%	0.291	S	S	.	.			trans	-112.5	174.7	173.9	-60	0	0	0	0	109.7	Y452 D456 F457 Y526	Y452-C454 WeakPolarHBondContact CE2-SG 3.12Å; Y452-C454 VanDerWaalsContact CZ-SG 3.55Å; C454-D456 PolarHBondContact O-N 2.87Å; C454-D456 VanDerWaalsContact O-N 3.12Å; C454-F457 WeakPolarHBondContact O-CB 3.38Å; C454-F457 PolarHBondContact O-N 3.32Å; C454-F457 VanDerWaalsContact O-N 3.08Å; C454-Y526 WeakPolarHBondContact CA-OH 3.36Å; C454-Y526 WeakPolarHBondContact CB-OH 3.45Å; C454-Y526 PolarHBondContact N-OH 3.03Å; C454-Y526 PolarHBondContact SG-OH 3.22Å; C454-Y526 VanDerWaalsContact SG-OH 3.33Å
455	K	86.1	Confident	87.2	Confident	206 Å²	206	62.1 Å²	62.1	90%	0.896	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.7	-178.2	-63.9	-177.8	-179.5	178.6	0	112.6	F457	K455-F457 VanDerWaalsContact C-N 3.26Å; K455-F457 PolarHBondContact O-N 2.9Å
456	D	84.6	Confident	87.1	Confident	79 Å²	79	63 Å²	63	42%	0.422	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.5	-174.7	-45.7	-25.2	0	0	0	113.1	C454 A458 E459 T460	C454-D456 PolarHBondContact O-N 2.87Å; C454-D456 VanDerWaalsContact O-N 3.12Å; D456-A458 PolarHBondContact O-N 2.74Å; D456-E459 PolarHBondContact O-N 3.3Å; D456-T460 WeakPolarHBondContact O-CB 3.39Å; D456-T460 PolarHBondContact O-N 2.82Å; D456-T460 PolarHBondContact O-OG1 3.37Å
457	F	86.9	Confident	86.9	Confident	26 Å²	26	62.8 Å²	62.8	11%	0.114	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-42.3	-174.6	-173.5	-93.2	0	0	0	112.7	I453 C454 K455 N461 L509 Y526	I453-F457 HydrophobicContact CG1-CD2 4.47Å; I453-F457 HydrophobicContact CG2-CB 3.81Å; I453-F457 HydrophobicContact CG2-CD1 4.16Å; I453-F457 HydrophobicContact CG2-CD2 4.39Å; I453-F457 HydrophobicContact CG2-CG 3.88Å; C454-F457 WeakPolarHBondContact O-CB 3.38Å; C454-F457 PolarHBondContact O-N 3.32Å; C454-F457 VanDerWaalsContact O-N 3.08Å; K455-F457 VanDerWaalsContact C-N 3.26Å; K455-F457 PolarHBondContact O-N 2.9Å; F457-N461 VanDerWaalsContact CD1-ND2 3.32Å; F457-N461 WeakPolarHBondContact CD1-ND2 3.43Å; F457-N461 WeakPolarHBondContact CE1-ND2 3.41Å; F457-N461 WeakPolarHBondContact CZ-ND2 3.17Å; F457-N461 WeakPolarHBondContact O-CB 3.46Å; F457-N461 PolarHBondContact O-N 2.99Å; F457-N461 VanDerWaalsContact O-N 3.12Å; F457-N461 PolarHBondContact O-ND2 2.84Å; F457-L509 HydrophobicContact CD2-CB 4.05Å; F457-L509 HydrophobicContact CD2-CD1 3.75Å; F457-L509 HydrophobicContact CE2-CB 3.51Å; F457-L509 HydrophobicContact CE2-CD1 4.11Å; F457-L509 HydrophobicContact CE2-CG 4.49Å; F457-L509 HydrophobicContact CG-CD1 4.35Å; F457-L509 HydrophobicContact CZ-CB 4.02Å; F457-Y526 HydrophobicContact CD2-CD1 4.45Å; F457-Y526 AromaticContact CD2-CE1 3.9Å; F457-Y526 HydrophobicContact CD2-CE1 3.9Å; F457-Y526 HydrophobicContact CE2-CE1 4.46Å
458	A	88	Confident	86.7	Confident	64 Å²	64	61.5 Å²	61.5	53%	0.529	31%	0.313	S	S	.	.	H	α-helix	trans	-70.9	-43	179.8	0	0	0	0	0	111.9	D456 N461 N462	D456-A458 PolarHBondContact O-N 2.74Å; A458-N461 PolarHBondContact O-N 3.27Å; A458-N462 PolarHBondContact O-N 3.48Å; A458-N462 VanDerWaalsContact O-N 3.11Å; A458-N462 PolarHBondContact O-ND2 2.95Å
459	E	87	Confident	86.7	Confident	81 Å²	81	64.4 Å²	64.4	38%	0.379	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-47.2	177.4	-174.6	-179.5	170.8	0	0	111	D456 N461 N462 I463 R483	D456-E459 PolarHBondContact O-N 3.3Å; E459-N461 PolarHBondContact O-N 3.04Å; E459-N462 WeakPolarHBondContact O-CB 3.24Å; E459-N462 PolarHBondContact O-N 3.01Å; E459-N462 VanDerWaalsContact O-N 3.15Å; E459-I463 HydrophobicContact CG-CD1 4.23Å; E459-I463 WeakPolarHBondContact O-CG1 3.34Å; E459-I463 PolarHBondContact O-N 3.03Å; E459-R483 IonicContact OE1-CZ 2.78Å; E459-R483 IonicContact OE1-NH1 2.93Å; E459-R483 PolarHBondContact OE1-NH1 3.33Å; E459-R483 IonicContact OE1-NH2 3.45Å
460	T	86.8	Confident	86.6	Confident	7 Å²	7	58.7 Å²	58.7	4%	0.043	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-40.7	-179.2	-52.3	0	0	0	0	111.5	D456 N462 I463 L464 L509 I555	D456-T460 WeakPolarHBondContact O-CB 3.39Å; D456-T460 PolarHBondContact O-N 2.82Å; D456-T460 PolarHBondContact O-OG1 3.37Å; T460-N462 VanDerWaalsContact C-N 3.33Å; T460-N462 PolarHBondContact O-N 3.18Å; T460-I463 PolarHBondContact O-N 2.89Å; T460-L464 HydrophobicContact CG2-CD1 4.5Å; T460-L464 WeakPolarHBondContact O-CG 3.29Å; T460-L464 PolarHBondContact O-N 3.05Å; T460-L509 HydrophobicContact CG2-CD1 3.67Å; T460-L509 HydrophobicContact CG2-CD2 3.96Å; T460-L509 HydrophobicContact CG2-CG 4.04Å; T460-I555 HydrophobicContact CG2-CD1 3.82Å; T460-I555 HydrophobicContact CG2-CG1 4.19Å
461	N	89.5	Confident	86.4	Confident	31 Å²	31	52.3 Å²	52.3	17%	0.166	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-38.3	174.1	-84.9	-54.5	0	0	0	112.9	F457 A458 E459 I463 L464 K465 F508 L509	F457-N461 VanDerWaalsContact CD1-ND2 3.32Å; F457-N461 WeakPolarHBondContact CD1-ND2 3.43Å; F457-N461 WeakPolarHBondContact CE1-ND2 3.41Å; F457-N461 WeakPolarHBondContact CZ-ND2 3.17Å; F457-N461 WeakPolarHBondContact O-CB 3.46Å; F457-N461 PolarHBondContact O-N 2.99Å; F457-N461 VanDerWaalsContact O-N 3.12Å; F457-N461 PolarHBondContact O-ND2 2.84Å; A458-N461 PolarHBondContact O-N 3.27Å; E459-N461 PolarHBondContact O-N 3.04Å; N461-I463 VanDerWaalsContact C-N 3.34Å; N461-L464 PolarHBondContact O-N 2.75Å; N461-K465 WeakPolarHBondContact O-CB 3.45Å; N461-K465 PolarHBondContact O-N 3.45Å; N461-F508 WeakPolarHBondContact OD1-CA 3.44Å; N461-L509 PolarHBondContact OD1-N 3.18Å
462	N	88.4	Confident	86.1	Confident	85 Å²	85	51.7 Å²	51.7	46%	0.455	27%	0.272	S	S	.	.	H	α-helix	trans	-64.9	-40	175.5	-70.5	-31	0	0	0	111.5	A458 E459 T460 K465 I466 L480	A458-N462 PolarHBondContact O-N 3.48Å; A458-N462 VanDerWaalsContact O-N 3.11Å; A458-N462 PolarHBondContact O-ND2 2.95Å; E459-N462 WeakPolarHBondContact O-CB 3.24Å; E459-N462 PolarHBondContact O-N 3.01Å; E459-N462 VanDerWaalsContact O-N 3.15Å; T460-N462 VanDerWaalsContact C-N 3.33Å; T460-N462 PolarHBondContact O-N 3.18Å; N462-K465 PolarHBondContact O-N 3.44Å; N462-I466 VanDerWaalsContact O-CG1 3.31Å; N462-I466 WeakPolarHBondContact O-CG1 3.25Å; N462-I466 PolarHBondContact O-N 2.81Å; N462-I466 VanDerWaalsContact O-N 3.13Å; N462-L480 HydrophobicContact CB-CD1 4.29Å
463	I	86	Confident	85.6	Confident	17 Å²	17	50 Å²	50	9%	0.087	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-47.3	174.6	-65.4	167.2	0	0	0	110.4	E459 T460 N461 K465 I466 I467 V484	E459-I463 HydrophobicContact CG-CD1 4.23Å; E459-I463 WeakPolarHBondContact O-CG1 3.34Å; E459-I463 PolarHBondContact O-N 3.03Å; T460-I463 PolarHBondContact O-N 2.89Å; N461-I463 VanDerWaalsContact C-N 3.34Å; I463-K465 VanDerWaalsContact C-N 3.32Å; I463-K465 PolarHBondContact O-N 2.84Å; I463-I466 PolarHBondContact O-N 3.42Å; I463-I466 VanDerWaalsContact O-N 3.16Å; I463-I467 HydrophobicContact CG2-CD1 3.87Å; I463-I467 HydrophobicContact CG2-CG1 4.45Å; I463-I467 WeakPolarHBondContact O-CG1 3.5Å; I463-I467 PolarHBondContact O-N 3.24Å; I463-V484 HydrophobicContact CG2-CG2 4.38Å
464	L	88.9	Confident	85.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.1	-42	178.1	-70.3	175.9	0	0	0	112.5	T460 N461 I466 I467 T468 A507 L509 C528 I548 I555	T460-L464 HydrophobicContact CG2-CD1 4.5Å; T460-L464 WeakPolarHBondContact O-CG 3.29Å; T460-L464 PolarHBondContact O-N 3.05Å; N461-L464 PolarHBondContact O-N 2.75Å; L464-I466 VanDerWaalsContact C-N 3.32Å; L464-I466 PolarHBondContact O-N 3.12Å; L464-I467 PolarHBondContact O-N 3.45Å; L464-T468 PolarHBondContact O-N 2.78Å; L464-T468 PolarHBondContact O-OG1 3.49Å; L464-A507 HydrophobicContact CB-CB 4.06Å; L464-L509 HydrophobicContact CD1-CD2 3.65Å; L464-L509 HydrophobicContact CD1-CG 3.85Å; L464-C528 HydrophobicContact CD1-CB 4.45Å; L464-I548 HydrophobicContact CD2-CD1 4.21Å; L464-I548 HydrophobicContact CD2-CG1 4.23Å; L464-I548 HydrophobicContact CD2-CG2 3.63Å; L464-I555 HydrophobicContact CD1-CD1 4.16Å; L464-I555 HydrophobicContact CD2-CD1 3.88Å; L464-I555 HydrophobicContact CG-CD1 4.32Å
465	K	87.8	Confident	84.9	Confident	132 Å²	132	54 Å²	54	57%	0.574	28%	0.28	S	S	*	.	H	α-helix	trans	-61.6	-40.4	176.6	-171.2	174	-178.5	176.8	0	112.2	N461 N462 I463 T468 D469	N461-K465 WeakPolarHBondContact O-CB 3.45Å; N461-K465 PolarHBondContact O-N 3.45Å; N462-K465 PolarHBondContact O-N 3.44Å; I463-K465 VanDerWaalsContact C-N 3.32Å; I463-K465 PolarHBondContact O-N 2.84Å; K465-T468 PolarHBondContact O-N 2.79Å; K465-T468 PolarHBondContact O-OG1 2.89Å; K465-D469 WeakPolarHBondContact O-CB 3.39Å; K465-D469 PolarHBondContact O-N 3.32Å
466	I	85.6	Confident	84.6	Confident	21 Å²	21	51.5 Å²	51.5	11%	0.108	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-39.8	175.5	-66.9	164.5	0	0	0	110.8	N462 I463 L464 D469 F470 L480 L481 V484	N462-I466 VanDerWaalsContact O-CG1 3.31Å; N462-I466 WeakPolarHBondContact O-CG1 3.25Å; N462-I466 PolarHBondContact O-N 2.81Å; N462-I466 VanDerWaalsContact O-N 3.13Å; I463-I466 PolarHBondContact O-N 3.42Å; I463-I466 VanDerWaalsContact O-N 3.16Å; L464-I466 VanDerWaalsContact C-N 3.32Å; L464-I466 PolarHBondContact O-N 3.12Å; I466-D469 CarbonylContact O-C 3.58Å; I466-F470 WeakPolarHBondContact O-CA 3.43Å; I466-F470 PolarHBondContact O-N 3.39Å; I466-L480 HydrophobicContact CD1-CB 3.5Å; I466-L480 HydrophobicContact CD1-CD1 4.15Å; I466-L480 HydrophobicContact CD1-CG 4.49Å; I466-L481 HydrophobicContact CG2-CD1 3.74Å; I466-V484 HydrophobicContact CG2-CG2 4.22Å
467	I	84.6	Confident	84	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-42.7	178.3	-66.9	166	0	0	0	110.9	I463 L464 L496 T500 L544 I548 M551	I463-I467 HydrophobicContact CG2-CD1 3.87Å; I463-I467 HydrophobicContact CG2-CG1 4.45Å; I463-I467 WeakPolarHBondContact O-CG1 3.5Å; I463-I467 PolarHBondContact O-N 3.24Å; L464-I467 PolarHBondContact O-N 3.45Å; I467-L496 HydrophobicContact CG2-CD1 4.2Å; I467-L496 HydrophobicContact CG2-CD2 4.47Å; I467-T500 WeakPolarHBondContact O-CG2 3.37Å; I467-L544 HydrophobicContact CG2-CD2 4.1Å; I467-I548 HydrophobicContact CD1-CG1 4.45Å; I467-I548 HydrophobicContact CG2-CG1 4.45Å; I467-M551 HydrophobicContact CD1-CE 3.76Å; I467-M551 HydrophobicContact CD1-SD 3.7Å; I467-M551 HydrophobicContact CG1-CE 4.05Å; I467-M551 HydrophobicContact CG1-SD 4.22Å
468	T	83.7	Confident	83.4	Confident	6 Å²	6	56.8 Å²	56.8	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-79.1	-24	-179.3	50.2	0	0	0	0	114.6	L464 K465 T500 L505 A507	L464-T468 PolarHBondContact O-N 2.78Å; L464-T468 PolarHBondContact O-OG1 3.49Å; K465-T468 PolarHBondContact O-N 2.79Å; K465-T468 PolarHBondContact O-OG1 2.89Å; T468-T500 VanDerWaalsContact O-CG2 3.28Å; T468-T500 WeakPolarHBondContact O-CG2 3.4Å; T468-L505 WeakPolarHBondContact CB-O 3.33Å; T468-L505 HydrophobicContact CG2-CB 4.11Å; T468-A507 HydrophobicContact CG2-CB 3.29Å
469	D	84.6	Confident	82.8	Confident	76 Å²	76	58.1 Å²	58.1	41%	0.406	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	36.3	176.2	-163.1	21.1	0	0	0	111.2	K465 I466 S471 A472 S473	K465-D469 WeakPolarHBondContact O-CB 3.39Å; K465-D469 PolarHBondContact O-N 3.32Å; I466-D469 CarbonylContact O-C 3.58Å; D469-S471 PolarHBondContact O-N 2.9Å; D469-A472 PolarHBondContact O-N 2.84Å; D469-A472 WeakPolarHBondContact OD1-CB 3.41Å; D469-S473 VanDerWaalsContact O-CB 3.23Å; D469-S473 WeakPolarHBondContact O-CB 3.42Å; D469-S473 PolarHBondContact O-N 3.09Å; D469-S473 PolarHBondContact O-OG 2.74Å
470	F	83	Confident	82.3	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-45.6	-170.5	-170.4	-99.5	0	0	0	111.8	I466 A472 S473 V474 L481 V484 K485 I488 E493 L496 M497 T500	I466-F470 WeakPolarHBondContact O-CA 3.43Å; I466-F470 PolarHBondContact O-N 3.39Å; F470-A472 VanDerWaalsContact C-N 3.27Å; F470-A472 PolarHBondContact O-N 2.85Å; F470-S473 PolarHBondContact O-N 3.25Å; F470-S473 VanDerWaalsContact O-N 3.13Å; F470-V474 HydrophobicContact CD1-CG2 3.81Å; F470-V474 HydrophobicContact CD2-CG2 4.47Å; F470-V474 HydrophobicContact CE1-CG2 3.47Å; F470-V474 VanDerWaalsContact CE1-CG2 3.47Å; F470-V474 HydrophobicContact CE2-CG2 4.19Å; F470-V474 HydrophobicContact CG-CG2 4.3Å; F470-V474 HydrophobicContact CZ-CG2 3.69Å; F470-V474 VanDerWaalsContact O-CG2 3.3Å; F470-V474 WeakPolarHBondContact O-CG2 2.74Å; F470-V474 PolarHBondContact O-N 2.93Å; F470-L481 HydrophobicContact CD2-CD1 3.91Å; F470-L481 HydrophobicContact CE2-CD1 3.57Å; F470-L481 HydrophobicContact CZ-CD1 4.39Å; F470-V484 HydrophobicContact CD2-CG1 4.28Å; F470-V484 HydrophobicContact CE2-CG1 3.83Å; F470-K485 HydrophobicContact CZ-CG 4.36Å; F470-I488 HydrophobicContact CE2-CD1 4.34Å; F470-I488 HydrophobicContact CZ-CD1 4.06Å; F470-E493 HydrophobicContact CE1-CG 3.62Å; F470-E493 HydrophobicContact CZ-CG 3.79Å; F470-L496 HydrophobicContact CB-CD2 3.9Å; F470-L496 HydrophobicContact CB-CG 3.96Å; F470-L496 HydrophobicContact CD1-CB 4.48Å; F470-L496 HydrophobicContact CD1-CD2 4Å; F470-L496 HydrophobicContact CD1-CG 4.15Å; F470-L496 HydrophobicContact CD2-CD2 3.76Å; F470-L496 HydrophobicContact CE1-CD2 4.47Å; F470-L496 HydrophobicContact CE2-CD2 4.26Å; F470-L496 HydrophobicContact CG-CD2 3.61Å; F470-L496 HydrophobicContact CG-CG 4.01Å; F470-M497 HydrophobicContact CD1-CG 3.82Å; F470-M497 HydrophobicContact CD1-SD 4.09Å; F470-M497 HydrophobicContact CE1-CG 3.79Å; F470-M497 HydrophobicContact CE1-SD 4.16Å; F470-T500 HydrophobicContact CB-CG2 4.08Å
471	S	82.8	Confident	81.9	Confident	26 Å²	26	56.9 Å²	56.9	18%	0.182	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-35.1	178.4	71.4	0	0	0	0	113.8	D469 T500	D469-S471 PolarHBondContact O-N 2.9Å; S471-T500 WeakPolarHBondContact CB-OG1 3.35Å; S471-T500 PolarHBondContact N-OG1 2.67Å; S471-T500 VanDerWaalsContact N-OG1 3.14Å; S471-T500 PolarHBondContact OG-O 3.35Å
472	A	81.5	Confident	81.3	Confident	38 Å²	38	61 Å²	61	31%	0.314	32%	0.324	S	S	.	.	H	α-helix	trans	-83.3	-36.4	175.6	0	0	0	0	0	111.9	D469 F470 V474 K475	D469-A472 PolarHBondContact O-N 2.84Å; D469-A472 WeakPolarHBondContact OD1-CB 3.41Å; F470-A472 VanDerWaalsContact C-N 3.27Å; F470-A472 PolarHBondContact O-N 2.85Å; A472-V474 VanDerWaalsContact C-N 3.33Å; A472-V474 PolarHBondContact O-N 2.99Å; A472-K475 WeakPolarHBondContact O-CB 3.41Å; A472-K475 PolarHBondContact O-N 2.73Å; A472-K475 VanDerWaalsContact O-N 3.15Å
473	S	77.9	Confident	80.7	Confident	20 Å²	20	63.5 Å²	63.5	14%	0.14	33%	0.327	C	S	.	.	H	α-helix	trans	-65.8	-34.4	178.5	-62.1	0	0	0	0	112.2	D469 F470 K475 K476	D469-S473 VanDerWaalsContact O-CB 3.23Å; D469-S473 WeakPolarHBondContact O-CB 3.42Å; D469-S473 PolarHBondContact O-N 3.09Å; D469-S473 PolarHBondContact O-OG 2.74Å; F470-S473 PolarHBondContact O-N 3.25Å; F470-S473 VanDerWaalsContact O-N 3.13Å; S473-K475 PolarHBondContact O-N 2.89Å; S473-K476 CarbonylContact O-C 3.53Å; S473-K476 PolarHBondContact O-N 2.74Å
474	V	79.4	Confident	80.2	Confident	43 Å²	43	62.9 Å²	62.9	26%	0.261	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-31	174	171.3	0	0	0	0	112	F470 A472 K476 L481 M497	F470-V474 HydrophobicContact CD1-CG2 3.81Å; F470-V474 HydrophobicContact CD2-CG2 4.47Å; F470-V474 HydrophobicContact CE1-CG2 3.47Å; F470-V474 VanDerWaalsContact CE1-CG2 3.47Å; F470-V474 HydrophobicContact CE2-CG2 4.19Å; F470-V474 HydrophobicContact CG-CG2 4.3Å; F470-V474 HydrophobicContact CZ-CG2 3.69Å; F470-V474 VanDerWaalsContact O-CG2 3.3Å; F470-V474 WeakPolarHBondContact O-CG2 2.74Å; F470-V474 PolarHBondContact O-N 2.93Å; A472-V474 VanDerWaalsContact C-N 3.33Å; A472-V474 PolarHBondContact O-N 2.99Å; V474-K476 VanDerWaalsContact C-N 3.25Å; V474-K476 PolarHBondContact O-N 2.85Å; V474-L481 HydrophobicContact CG2-CD1 4.34Å; V474-L481 HydrophobicContact CG2-CD2 4.3Å; V474-M497 HydrophobicContact CB-SD 4.39Å; V474-M497 HydrophobicContact CG2-SD 4.17Å
475	K	79.8	Confident	79.6	Confident	174 Å²	174	65.5 Å²	65.5	76%	0.757	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.3	175.7	-59.9	174.7	-176.8	174.5	0	112.8	A472 S473	A472-K475 WeakPolarHBondContact O-CB 3.41Å; A472-K475 PolarHBondContact O-N 2.73Å; A472-K475 VanDerWaalsContact O-N 3.15Å; S473-K475 PolarHBondContact O-N 2.89Å
476	K	79.2	Confident	79.1	Confident	154 Å²	154	63.7 Å²	63.7	67%	0.67	34%	0.339	S	S	*	.	S	Bend	trans	-129.7	82.2	178.9	-68.5	-174	-179	179.7	0	110	S473 V474 H478	S473-K476 CarbonylContact O-C 3.53Å; S473-K476 PolarHBondContact O-N 2.74Å; V474-K476 VanDerWaalsContact C-N 3.25Å; V474-K476 PolarHBondContact O-N 2.85Å; K476-H478 PolarHBondContact O-CD2 2.93Å; K476-H478 PolarHBondContact O-N 3.15Å
477	P	72.5	Confident	78.4	Confident	92 Å²	92	66 Å²	66	60%	0.597	36%	0.357	S	S	*	.			trans	-65.5	129.9	-171.9	25.5	-33.2	0	0	0	111.8	L481	P477-L481 HydrophobicContact CB-CD2 4.47Å
478	H	74.9	Confident	78	Confident	124 Å²	124	66.9 Å²	66.9	57%	0.574	36%	0.361	S	S	*	.			trans	-123.5	159.3	174.2	-65.3	-60.5	0	0	0	110.1	K476 L480 L481	K476-H478 PolarHBondContact O-CD2 2.93Å; K476-H478 PolarHBondContact O-N 3.15Å; H478-L480 PolarHBondContact O-N 3.23Å; H478-L480 VanDerWaalsContact O-N 3.16Å; H478-L481 VanDerWaalsContact O-CB 3.3Å; H478-L481 WeakPolarHBondContact O-CB 3.08Å; H478-L481 PolarHBondContact O-N 2.78Å
479	A	75.8	Confident	77.8	Confident	92 Å²	92	69.2 Å²	69.2	76%	0.76	38%	0.377	S	S	*	.	H	α-helix	trans	-56.2	-34.2	-179.1	0	0	0	0	0	113.3	L481 Q482	A479-L481 VanDerWaalsContact C-N 3.33Å; A479-L481 PolarHBondContact O-N 2.86Å; A479-Q482 PolarHBondContact O-N 3Å
480	L	75.4	Confident	77.5	Confident	59 Å²	59	72 Å²	72	31%	0.309	39%	0.392	S	S	.	.	H	α-helix	trans	-69.2	-27.7	176.7	-68	173.7	0	0	0	113.4	N462 I466 H478 Q482 R483 V484	N462-L480 HydrophobicContact CB-CD1 4.29Å; I466-L480 HydrophobicContact CD1-CB 3.5Å; I466-L480 HydrophobicContact CD1-CD1 4.15Å; I466-L480 HydrophobicContact CD1-CG 4.49Å; H478-L480 PolarHBondContact O-N 3.23Å; H478-L480 VanDerWaalsContact O-N 3.16Å; L480-Q482 VanDerWaalsContact C-N 3.33Å; L480-R483 PolarHBondContact O-N 2.87Å; L480-V484 PolarHBondContact O-N 3.01Å
481	L	79.7	Confident	77.5	Confident	3 Å²	3	78.6 Å²	78.6	2%	0.016	42%	0.423	C	S	.	.	H	α-helix	trans	-67.2	-36.6	176.6	-175.5	72.6	0	0	0	111.2	I466 F470 V474 P477 H478 A479 R483 V484 K485	I466-L481 HydrophobicContact CG2-CD1 3.74Å; F470-L481 HydrophobicContact CD2-CD1 3.91Å; F470-L481 HydrophobicContact CE2-CD1 3.57Å; F470-L481 HydrophobicContact CZ-CD1 4.39Å; V474-L481 HydrophobicContact CG2-CD1 4.34Å; V474-L481 HydrophobicContact CG2-CD2 4.3Å; P477-L481 HydrophobicContact CB-CD2 4.47Å; H478-L481 VanDerWaalsContact O-CB 3.3Å; H478-L481 WeakPolarHBondContact O-CB 3.08Å; H478-L481 PolarHBondContact O-N 2.78Å; A479-L481 VanDerWaalsContact C-N 3.33Å; A479-L481 PolarHBondContact O-N 2.86Å; L481-R483 VanDerWaalsContact C-N 3.28Å; L481-R483 PolarHBondContact O-N 2.96Å; L481-V484 WeakPolarHBondContact O-CB 3.35Å; L481-V484 PolarHBondContact O-N 2.92Å; L481-V484 VanDerWaalsContact O-N 3.17Å; L481-K485 HydrophobicContact CG-CD 4.47Å; L481-K485 WeakPolarHBondContact O-CG 3.37Å; L481-K485 PolarHBondContact O-N 2.74Å
482	Q	76.9	Confident	77.4	Confident	117 Å²	117	78.8 Å²	78.8	55%	0.547	42%	0.421	S	S	.	.	H	α-helix	trans	-63.6	-36.7	177.1	-65.7	-62.2	-24.4	0	0	111.6	A479 L480 V484 K485 S486	A479-Q482 PolarHBondContact O-N 3Å; L480-Q482 VanDerWaalsContact C-N 3.33Å; Q482-V484 VanDerWaalsContact C-N 3.34Å; Q482-K485 PolarHBondContact O-N 2.96Å; Q482-S486 PolarHBondContact O-N 2.77Å; Q482-S486 PolarHBondContact O-OG 2.8Å
483	R	74.9	Confident	77.4	Confident	138 Å²	138	78.7 Å²	78.7	52%	0.521	41%	0.414	S	S	.	.	H	α-helix	trans	-68	-33.4	174.6	-171	174.8	175.6	-168	-4	112.7	E459 L480 L481 S486 C487	E459-R483 IonicContact OE1-CZ 2.78Å; E459-R483 IonicContact OE1-NH1 2.93Å; E459-R483 PolarHBondContact OE1-NH1 3.33Å; E459-R483 IonicContact OE1-NH2 3.45Å; L480-R483 PolarHBondContact O-N 2.87Å; L481-R483 VanDerWaalsContact C-N 3.28Å; L481-R483 PolarHBondContact O-N 2.96Å; R483-S486 WeakPolarHBondContact CA-OG 3.18Å; R483-S486 PolarHBondContact O-OG 3.16Å; R483-C487 PolarHBondContact O-SG 3.31Å
484	V	75.6	Confident	77.8	Confident	4 Å²	4	84 Å²	84	2%	0.024	44%	0.437	C	S	.	.	H	α-helix	trans	-67.3	-49.1	172	169	0	0	0	0	110.2	I463 I466 F470 L480 L481 Q482 S486 C487 I488 M551	I463-V484 HydrophobicContact CG2-CG2 4.38Å; I466-V484 HydrophobicContact CG2-CG2 4.22Å; F470-V484 HydrophobicContact CD2-CG1 4.28Å; F470-V484 HydrophobicContact CE2-CG1 3.83Å; L480-V484 PolarHBondContact O-N 3.01Å; L481-V484 WeakPolarHBondContact O-CB 3.35Å; L481-V484 PolarHBondContact O-N 2.92Å; L481-V484 VanDerWaalsContact O-N 3.17Å; Q482-V484 VanDerWaalsContact C-N 3.34Å; V484-S486 VanDerWaalsContact C-N 3.33Å; V484-S486 PolarHBondContact O-N 3.35Å; V484-C487 PolarHBondContact O-N 3.44Å; V484-C487 VanDerWaalsContact O-N 3.09Å; V484-I488 HydrophobicContact CG1-CD1 4.29Å; V484-I488 PolarHBondContact O-N 3.32Å; V484-M551 HydrophobicContact CB-CE 3.9Å; V484-M551 HydrophobicContact CG1-CE 3.56Å; V484-M551 HydrophobicContact CG2-CE 3.72Å
485	K	77.3	Confident	78	Confident	56 Å²	56	87 Å²	87	24%	0.243	45%	0.447	C	S	.	.	H	α-helix	trans	-60.2	-37.7	179	-74	179.7	174.9	-103.5	0	113.1	F470 L481 Q482 C487 I488 E493	F470-K485 HydrophobicContact CZ-CG 4.36Å; L481-K485 HydrophobicContact CG-CD 4.47Å; L481-K485 WeakPolarHBondContact O-CG 3.37Å; L481-K485 PolarHBondContact O-N 2.74Å; Q482-K485 PolarHBondContact O-N 2.96Å; K485-C487 PolarHBondContact O-N 2.79Å; K485-I488 PolarHBondContact O-N 2.91Å; K485-E493 IonicContact NZ-OE1 3.42Å; K485-E493 PolarHBondContact NZ-OE1 3.45Å; K485-E493 IonicContact NZ-OE2 3.51Å
486	S	76.4	Confident	78.2	Confident	93 Å²	93	78.7 Å²	78.7	65%	0.65	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.6	177.5	60.1	0	0	0	0	114.3	Q482 R483 V484	Q482-S486 PolarHBondContact O-N 2.77Å; Q482-S486 PolarHBondContact O-OG 2.8Å; R483-S486 WeakPolarHBondContact CA-OG 3.18Å; R483-S486 PolarHBondContact O-OG 3.16Å; V484-S486 VanDerWaalsContact C-N 3.33Å; V484-S486 PolarHBondContact O-N 3.35Å
487	C	70.5	Confident	78.5	Confident	71 Å²	71	74.8 Å²	74.8	48%	0.48	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-2.8	-176.3	-64.7	0	0	0	0	113.6	R483 V484 K485	R483-C487 PolarHBondContact O-SG 3.31Å; V484-C487 PolarHBondContact O-N 3.44Å; V484-C487 VanDerWaalsContact O-N 3.09Å; K485-C487 PolarHBondContact O-N 2.79Å
488	I	76.1	Confident	79.1	Confident	18 Å²	18	76 Å²	76	9%	0.092	39%	0.393	C	S	.	.	S	Bend	trans	-118.9	149.9	-178.2	63.6	-178.6	0	0	0	110.3	F470 V484 K485 E492 E493 L547 M551	F470-I488 HydrophobicContact CE2-CD1 4.34Å; F470-I488 HydrophobicContact CZ-CD1 4.06Å; V484-I488 HydrophobicContact CG1-CD1 4.29Å; V484-I488 PolarHBondContact O-N 3.32Å; K485-I488 PolarHBondContact O-N 2.91Å; I488-E492 HydrophobicContact CB-CB 4.47Å; I488-E493 HydrophobicContact CD1-CB 3.89Å; I488-E493 HydrophobicContact CD1-CG 4.11Å; I488-E493 HydrophobicContact CG1-CB 4.44Å; I488-L547 HydrophobicContact CG2-CD1 4.02Å; I488-M551 HydrophobicContact CG2-SD 4.13Å
489	S	79.3	Confident	79.6	Confident	55 Å²	55	70.7 Å²	70.7	39%	0.385	37%	0.369	S	S	.	.			trans	-81	159.8	172.3	56.9	0	0	0	0	111.7	E491 E492 E493	S489-E491 VanDerWaalsContact C-N 3.28Å; S489-E491 PolarHBondContact O-N 2.85Å; S489-E492 PolarHBondContact N-OE2 2.82Å; S489-E492 PolarHBondContact O-N 2.77Å; S489-E492 WeakPolarHBondContact OG-CB 3.47Å; S489-E492 VanDerWaalsContact OG-CD 3.31Å; S489-E492 WeakPolarHBondContact OG-CG 3.24Å; S489-E492 PolarHBondContact OG-OE2 3.39Å; S489-E493 PolarHBondContact O-N 3.25Å
490	D	79.4	Confident	80	Confident	134 Å²	134	66.8 Å²	66.8	72%	0.717	34%	0.336	S	S	*	.	H	α-helix	trans	-57.7	-39.8	179.6	-62.9	-31.6	0	0	0	112	E492 E493 E494	D490-E492 PolarHBondContact O-N 3.28Å; D490-E493 WeakPolarHBondContact O-CB 3.43Å; D490-E493 PolarHBondContact O-N 2.77Å; D490-E494 PolarHBondContact O-N 2.97Å
491	E	81.6	Confident	80.4	Confident	139 Å²	139	67.9 Å²	67.9	65%	0.65	35%	0.348	S	S	*	.	H	α-helix	trans	-65.4	-37.2	176	-64.4	-176.3	-174.1	0	0	113	S489 K495	S489-E491 VanDerWaalsContact C-N 3.28Å; S489-E491 PolarHBondContact O-N 2.85Å; E491-K495 WeakPolarHBondContact O-CG 3.23Å; E491-K495 PolarHBondContact O-N 3.48Å; E491-K495 VanDerWaalsContact O-N 3.09Å
492	E	80.8	Confident	80.5	Confident	30 Å²	30	73.3 Å²	73.3	14%	0.14	38%	0.377	C	S	.	.	H	α-helix	trans	-73	-33.5	177.1	-73.1	176.4	135.8	0	0	111.5	I488 S489 D490 K495 L496 F543 R550	I488-E492 HydrophobicContact CB-CB 4.47Å; S489-E492 PolarHBondContact N-OE2 2.82Å; S489-E492 PolarHBondContact O-N 2.77Å; S489-E492 WeakPolarHBondContact OG-CB 3.47Å; S489-E492 VanDerWaalsContact OG-CD 3.31Å; S489-E492 WeakPolarHBondContact OG-CG 3.24Å; S489-E492 PolarHBondContact OG-OE2 3.39Å; D490-E492 PolarHBondContact O-N 3.28Å; E492-K495 PolarHBondContact O-N 3.3Å; E492-L496 VanDerWaalsContact O-CB 3.24Å; E492-L496 WeakPolarHBondContact O-CB 3.42Å; E492-L496 PolarHBondContact O-N 3.47Å; E492-F543 HydrophobicContact CB-CZ 4.05Å; E492-F543 HydrophobicContact CG-CE2 4.08Å; E492-F543 HydrophobicContact CG-CZ 3.98Å; E492-R550 VanDerWaalsContact CD-NH1 3.33Å; E492-R550 IonicContact OE1-CZ 2.77Å; E492-R550 VanDerWaalsContact OE1-CZ 3.3Å; E492-R550 IonicContact OE1-NH1 2.64Å; E492-R550 PolarHBondContact OE1-NH1 2.74Å; E492-R550 IonicContact OE1-NH2 3.55Å; E492-R550 PolarHBondContact OE1-NH2 3.11Å; E492-R550 IonicContact OE2-NH1 3.8Å; E492-R550 PolarHBondContact OE2-NH1 2.8Å
493	E	82.9	Confident	80.7	Confident	37 Å²	37	69.3 Å²	69.3	17%	0.173	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-46.8	172.7	-172.1	172.8	167.5	0	0	110.8	F470 K485 I488 S489 D490 L496 M497	F470-E493 HydrophobicContact CE1-CG 3.62Å; F470-E493 HydrophobicContact CZ-CG 3.79Å; K485-E493 IonicContact NZ-OE1 3.42Å; K485-E493 PolarHBondContact NZ-OE1 3.45Å; K485-E493 IonicContact NZ-OE2 3.51Å; I488-E493 HydrophobicContact CD1-CB 3.89Å; I488-E493 HydrophobicContact CD1-CG 4.11Å; I488-E493 HydrophobicContact CG1-CB 4.44Å; S489-E493 PolarHBondContact O-N 3.25Å; D490-E493 WeakPolarHBondContact O-CB 3.43Å; D490-E493 PolarHBondContact O-N 2.77Å; E493-L496 PolarHBondContact O-N 3.19Å; E493-M497 WeakPolarHBondContact O-CB 3.4Å; E493-M497 WeakPolarHBondContact O-CG 3.48Å; E493-M497 PolarHBondContact O-N 3.05Å
494	E	84.8	Confident	81.2	Confident	131 Å²	131	66 Å²	66	61%	0.612	36%	0.356	S	S	*	.	H	α-helix	trans	-60.8	-45.7	176.2	-73.7	-173.9	176.3	0	0	112	D490 L496 M497 Q498	D490-E494 PolarHBondContact O-N 2.97Å; E494-L496 PolarHBondContact O-N 3.44Å; E494-M497 WeakPolarHBondContact O-CB 3.38Å; E494-M497 PolarHBondContact O-N 2.91Å; E494-Q498 WeakPolarHBondContact O-CG 3.4Å; E494-Q498 PolarHBondContact O-N 2.97Å
495	K	83.9	Confident	81.7	Confident	106 Å²	106	66.7 Å²	66.7	46%	0.461	36%	0.359	S	S	.	.	H	α-helix	trans	-62	-43.7	175.7	-78.3	176.8	-178.8	164.7	0	111.9	E491 E492 M497 Q498 I499 F543	E491-K495 WeakPolarHBondContact O-CG 3.23Å; E491-K495 PolarHBondContact O-N 3.48Å; E491-K495 VanDerWaalsContact O-N 3.09Å; E492-K495 PolarHBondContact O-N 3.3Å; K495-M497 VanDerWaalsContact C-N 3.33Å; K495-M497 PolarHBondContact O-N 3.45Å; K495-Q498 PolarHBondContact O-N 3.28Å; K495-I499 WeakPolarHBondContact O-CB 3.43Å; K495-I499 WeakPolarHBondContact O-CG1 3.37Å; K495-I499 PolarHBondContact O-N 3.41Å; K495-F543 HydrophobicContact CB-CE1 4.34Å; K495-F543 HydrophobicContact CB-CZ 4.17Å; K495-F543 HydrophobicContact CD-CE2 4.35Å
496	L	84.6	Confident	82.3	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-65.1	-39	179	-170.9	65.4	0	0	0	111.4	I467 F470 E492 E493 E494 I499 T500 L544 L547	I467-L496 HydrophobicContact CG2-CD1 4.2Å; I467-L496 HydrophobicContact CG2-CD2 4.47Å; F470-L496 HydrophobicContact CB-CD2 3.9Å; F470-L496 HydrophobicContact CB-CG 3.96Å; F470-L496 HydrophobicContact CD1-CB 4.48Å; F470-L496 HydrophobicContact CD1-CD2 4Å; F470-L496 HydrophobicContact CD1-CG 4.15Å; F470-L496 HydrophobicContact CD2-CD2 3.76Å; F470-L496 HydrophobicContact CE1-CD2 4.47Å; F470-L496 HydrophobicContact CE2-CD2 4.26Å; F470-L496 HydrophobicContact CG-CD2 3.61Å; F470-L496 HydrophobicContact CG-CG 4.01Å; E492-L496 VanDerWaalsContact O-CB 3.24Å; E492-L496 WeakPolarHBondContact O-CB 3.42Å; E492-L496 PolarHBondContact O-N 3.47Å; E493-L496 PolarHBondContact O-N 3.19Å; E494-L496 PolarHBondContact O-N 3.44Å; L496-I499 PolarHBondContact O-N 2.91Å; L496-T500 HydrophobicContact CD1-CG2 4.18Å; L496-T500 HydrophobicContact CG-CG2 4.39Å; L496-T500 WeakPolarHBondContact O-CB 3.23Å; L496-T500 VanDerWaalsContact O-CG2 3.29Å; L496-T500 WeakPolarHBondContact O-CG2 3.15Å; L496-T500 PolarHBondContact O-N 3.27Å; L496-T500 PolarHBondContact O-OG1 2.99Å; L496-L544 HydrophobicContact CD1-CD2 3.6Å; L496-L547 HydrophobicContact CD1-CD2 4.27Å; L496-L547 HydrophobicContact CD2-CD2 4.35Å
497	M	84.8	Confident	83	Confident	72 Å²	72	61.2 Å²	61.2	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-59.8	-47.2	172.5	-76.8	-92.7	-81.8	0	0	111.5	F470 V474 E493 E494 K495 T500 S501	F470-M497 HydrophobicContact CD1-CG 3.82Å; F470-M497 HydrophobicContact CD1-SD 4.09Å; F470-M497 HydrophobicContact CE1-CG 3.79Å; F470-M497 HydrophobicContact CE1-SD 4.16Å; V474-M497 HydrophobicContact CB-SD 4.39Å; V474-M497 HydrophobicContact CG2-SD 4.17Å; E493-M497 WeakPolarHBondContact O-CB 3.4Å; E493-M497 WeakPolarHBondContact O-CG 3.48Å; E493-M497 PolarHBondContact O-N 3.05Å; E494-M497 WeakPolarHBondContact O-CB 3.38Å; E494-M497 PolarHBondContact O-N 2.91Å; K495-M497 VanDerWaalsContact C-N 3.33Å; K495-M497 PolarHBondContact O-N 3.45Å; M497-T500 PolarHBondContact O-OG1 2.88Å; M497-S501 VanDerWaalsContact O-CB 3.22Å; M497-S501 WeakPolarHBondContact O-CB 3.38Å; M497-S501 PolarHBondContact O-N 3.35Å; M497-S501 PolarHBondContact O-OG 3.01Å
498	Q	86.4	Confident	84.1	Confident	117 Å²	117	58 Å²	58	55%	0.547	30%	0.304	S	S	.	.	H	α-helix	trans	-60.4	-51.3	176.5	-71.9	175.3	2.1	0	0	111.2	E494 K495 T500 S501 L502	E494-Q498 WeakPolarHBondContact O-CG 3.4Å; E494-Q498 PolarHBondContact O-N 2.97Å; K495-Q498 PolarHBondContact O-N 3.28Å; Q498-T500 PolarHBondContact O-N 3.06Å; Q498-S501 PolarHBondContact O-N 3.38Å; Q498-S501 PolarHBondContact O-OG 3.07Å; Q498-L502 WeakPolarHBondContact O-CG 3.42Å; Q498-L502 PolarHBondContact O-N 2.96Å; Q498-L502 VanDerWaalsContact O-N 3.09Å
499	I	84.9	Confident	84.9	Confident	13 Å²	13	57.2 Å²	57.2	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-57.9	-49.7	-178	-68.2	167.5	0	0	0	111.4	K495 L496 S501 L502 H503 L505 F543	K495-I499 WeakPolarHBondContact O-CB 3.43Å; K495-I499 WeakPolarHBondContact O-CG1 3.37Å; K495-I499 PolarHBondContact O-N 3.41Å; L496-I499 PolarHBondContact O-N 2.91Å; I499-S501 VanDerWaalsContact C-N 3.31Å; I499-S501 PolarHBondContact O-N 2.94Å; I499-L502 PolarHBondContact O-N 3.1Å; I499-H503 PolarHBondContact O-N 2.66Å; I499-H503 PolarHBondContact O-ND1 3.43Å; I499-L505 HydrophobicContact CG2-CD1 3.87Å; I499-F543 HydrophobicContact CD1-CB 4.45Å; I499-F543 HydrophobicContact CD1-CD1 3.51Å; I499-F543 HydrophobicContact CD1-CE1 4.1Å; I499-F543 HydrophobicContact CD1-CG 4.25Å
500	T	83.9	Confident	85.6	Confident	10 Å²	10	54.6 Å²	54.6	6%	0.061	28%	0.281	C	S	.	.	H	α-helix	trans	-77.2	-15.1	-176.1	59.6	0	0	0	0	113.4	I467 T468 F470 S471 L496 M497 Q498	I467-T500 WeakPolarHBondContact O-CG2 3.37Å; T468-T500 VanDerWaalsContact O-CG2 3.28Å; T468-T500 WeakPolarHBondContact O-CG2 3.4Å; F470-T500 HydrophobicContact CB-CG2 4.08Å; S471-T500 WeakPolarHBondContact CB-OG1 3.35Å; S471-T500 PolarHBondContact N-OG1 2.67Å; S471-T500 VanDerWaalsContact N-OG1 3.14Å; S471-T500 PolarHBondContact OG-O 3.35Å; L496-T500 HydrophobicContact CD1-CG2 4.18Å; L496-T500 HydrophobicContact CG-CG2 4.39Å; L496-T500 WeakPolarHBondContact O-CB 3.23Å; L496-T500 VanDerWaalsContact O-CG2 3.29Å; L496-T500 WeakPolarHBondContact O-CG2 3.15Å; L496-T500 PolarHBondContact O-N 3.27Å; L496-T500 PolarHBondContact O-OG1 2.99Å; M497-T500 PolarHBondContact O-OG1 2.88Å; Q498-T500 PolarHBondContact O-N 3.06Å
501	S	84.1	Confident	86.2	Confident	82 Å²	82	48.3 Å²	48.3	57%	0.573	25%	0.248	S	C	*	.	H	α-helix	trans	-81.4	-35.2	170.5	71.4	0	0	0	0	112.6	M497 Q498 I499	M497-S501 VanDerWaalsContact O-CB 3.22Å; M497-S501 WeakPolarHBondContact O-CB 3.38Å; M497-S501 PolarHBondContact O-N 3.35Å; M497-S501 PolarHBondContact O-OG 3.01Å; Q498-S501 PolarHBondContact O-N 3.38Å; Q498-S501 PolarHBondContact O-OG 3.07Å; I499-S501 VanDerWaalsContact C-N 3.31Å; I499-S501 PolarHBondContact O-N 2.94Å
502	L	82.3	Confident	86.6	Confident	117 Å²	117	41.8 Å²	41.8	61%	0.613	22%	0.217	S	C	*	.	H	α-helix	trans	-83.1	-36.7	-178.3	-68.5	171.1	0	0	0	112.1	Q498 I499	Q498-L502 WeakPolarHBondContact O-CG 3.42Å; Q498-L502 PolarHBondContact O-N 2.96Å; Q498-L502 VanDerWaalsContact O-N 3.09Å; I499-L502 PolarHBondContact O-N 3.1Å
503	H	81.1	Confident	87	Confident	32 Å²	32	44.8 Å²	44.8	15%	0.148	23%	0.23	C	C	.	.			trans	-122.5	129	-172.3	-50.1	88.2	0	0	0	111.3	I499 L505 H537	I499-H503 PolarHBondContact O-N 2.66Å; I499-H503 PolarHBondContact O-ND1 3.43Å; H503-L505 HydrophobicContact CB-CD1 4.39Å; H503-L505 HydrophobicContact CB-CD2 4.17Å; H503-L505 HydrophobicContact CB-CG 3.98Å; H503-L505 PolarHBondContact O-N 3.45Å; H503-L505 VanDerWaalsContact O-N 3.15Å; H503-H537 WeakPolarHBondContact NE2-CB 3.47Å
504	S	84.9	Confident	87.2	Confident	68 Å²	68	43 Å²	43	48%	0.476	22%	0.222	S	C	.	.			trans	-78.7	96.8	168.6	-176.9	0	0	0	0	109.4	K533	S504-K533 PolarHBondContact O-N 3.4Å
505	L	86.9	Confident	87.2	Confident	19 Å²	19	37 Å²	37	10%	0.099	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	150.6	179.4	-59	171.6	0	0	0	111.3	T468 I499 H503 T531 L541 L544	T468-L505 WeakPolarHBondContact CB-O 3.33Å; T468-L505 HydrophobicContact CG2-CB 4.11Å; I499-L505 HydrophobicContact CG2-CD1 3.87Å; H503-L505 HydrophobicContact CB-CD1 4.39Å; H503-L505 HydrophobicContact CB-CD2 4.17Å; H503-L505 HydrophobicContact CB-CG 3.98Å; H503-L505 PolarHBondContact O-N 3.45Å; H503-L505 VanDerWaalsContact O-N 3.15Å; L505-T531 CarbonylContact C-O 3.58Å; L505-T531 WeakPolarHBondContact CA-O 3.46Å; L505-L541 HydrophobicContact CD2-CD2 4.49Å; L505-L544 HydrophobicContact CD1-CD1 3.61Å
506	N	89.3	Confident	86.8	Confident	31 Å²	31	32 Å²	32	17%	0.166	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.2	169.8	-176.1	26.4	0	0	0	109.6	V530 T531 H565 V566	N506-V530 CarbonylContact O-C 3.44Å; N506-V530 WeakPolarHBondContact O-CA 3.36Å; N506-T531 PolarHBondContact N-O 3.05Å; N506-T531 PolarHBondContact O-N 3.22Å; N506-T531 PolarHBondContact O-OG1 3.34Å; N506-H565 WeakPolarHBondContact CB-NE2 3.4Å; N506-V566 PolarHBondContact ND2-O 3.42Å
507	A	91	Very high	85.9	Confident	3 Å²	3	33.6 Å²	33.6	3%	0.025	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.2	177.1	0	0	0	0	0	111.1	L464 T468 G529 V530	L464-A507 HydrophobicContact CB-CB 4.06Å; T468-A507 HydrophobicContact CG2-CB 3.29Å; A507-G529 VanDerWaalsContact CA-O 3.28Å; A507-G529 WeakPolarHBondContact CA-O 3.38Å; A507-V530 HydrophobicContact CB-CG2 4.2Å
508	F	93.3	Very high	84.9	Confident	5 Å²	5	33 Å²	33	2%	0.022	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	156.8	-179.1	49.5	-95.5	0	0	0	111.1	N461 L510 C528 G529 T531 I561 V566 P569 F618	N461-F508 WeakPolarHBondContact OD1-CA 3.44Å; F508-L510 HydrophobicContact CD2-CD2 4.04Å; F508-L510 HydrophobicContact CE2-CD2 3.66Å; F508-C528 CarbonylContact O-C 3.32Å; F508-C528 WeakPolarHBondContact O-CA 3.3Å; F508-G529 PolarHBondContact N-O 2.96Å; F508-G529 PolarHBondContact O-N 3.15Å; F508-T531 HydrophobicContact CE1-CG2 4.26Å; F508-T531 HydrophobicContact CZ-CG2 4.33Å; F508-I561 HydrophobicContact CE2-CD1 3.84Å; F508-I561 HydrophobicContact CZ-CD1 3.61Å; F508-V566 HydrophobicContact CE1-CB 3.91Å; F508-V566 HydrophobicContact CE1-CG1 3.95Å; F508-V566 HydrophobicContact CZ-CB 3.87Å; F508-V566 HydrophobicContact CZ-CG1 3.71Å; F508-V566 HydrophobicContact CZ-CG2 4.28Å; F508-P569 HydrophobicContact CB-CB 4.1Å; F508-P569 HydrophobicContact CB-CG 4.07Å; F508-P569 HydrophobicContact CD1-CB 4.21Å; F508-P569 HydrophobicContact CD2-CB 3.31Å; F508-P569 HydrophobicContact CD2-CG 4.21Å; F508-P569 HydrophobicContact CE2-CB 3.64Å; F508-P569 HydrophobicContact CG-CB 3.61Å; F508-P569 HydrophobicContact CG-CG 4.06Å; F508-P569 HydrophobicContact CZ-CB 4.23Å; F508-F618 HydrophobicContact CE2-CE1 4.26Å
509	L	93.4	Very high	83.8	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	138	173.1	-66.2	-174.8	0	0	0	111.2	F457 T460 N461 L464 Y526 I555	F457-L509 HydrophobicContact CD2-CB 4.05Å; F457-L509 HydrophobicContact CD2-CD1 3.75Å; F457-L509 HydrophobicContact CE2-CB 3.51Å; F457-L509 HydrophobicContact CE2-CD1 4.11Å; F457-L509 HydrophobicContact CE2-CG 4.49Å; F457-L509 HydrophobicContact CG-CD1 4.35Å; F457-L509 HydrophobicContact CZ-CB 4.02Å; T460-L509 HydrophobicContact CG2-CD1 3.67Å; T460-L509 HydrophobicContact CG2-CD2 3.96Å; T460-L509 HydrophobicContact CG2-CG 4.04Å; N461-L509 PolarHBondContact OD1-N 3.18Å; L464-L509 HydrophobicContact CD1-CD2 3.65Å; L464-L509 HydrophobicContact CD1-CG 3.85Å; L509-Y526 HydrophobicContact CD1-CD1 4.38Å; L509-Y526 HydrophobicContact CD1-CD2 4.21Å; L509-Y526 HydrophobicContact CD1-CG 4.12Å; L509-Y526 HydrophobicContact CD2-CG 4.39Å; L509-I555 HydrophobicContact CD2-CD1 3.8Å; L509-I555 HydrophobicContact CD2-CG1 3.87Å
510	L	93.1	Very high	82.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	137	167.7	-60.5	174.8	0	0	0	108.8	F508 I512 V527 V559 L616 F618 M677	F508-L510 HydrophobicContact CD2-CD2 4.04Å; F508-L510 HydrophobicContact CE2-CD2 3.66Å; L510-I512 HydrophobicContact CB-CD1 4.4Å; L510-I512 HydrophobicContact CB-CG1 3.92Å; L510-I512 PolarHBondContact O-N 2.71Å; L510-V527 HydrophobicContact CB-CB 4.33Å; L510-V527 HydrophobicContact CD1-CB 4.3Å; L510-V527 HydrophobicContact CD1-CG1 3.89Å; L510-V527 PolarHBondContact N-O 3.44Å; L510-V559 HydrophobicContact CD1-CG2 4.18Å; L510-L616 HydrophobicContact CB-CD1 4.15Å; L510-L616 HydrophobicContact CD1-CD1 3.74Å; L510-L616 HydrophobicContact CD2-CD1 3.97Å; L510-L616 HydrophobicContact CG-CD1 4.17Å; L510-F618 HydrophobicContact CD2-CE1 3.93Å; L510-F618 HydrophobicContact CD2-CZ 3.81Å; L510-M677 HydrophobicContact CD1-SD 4.14Å
511	P	91.6	Very high	80.4	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	49.6	-176.7	34.1	-38.1	0	0	0	112.3	P451 Y452 I453 P570 I573 L616	P451-P511 HydrophobicContact CB-CB 3.89Å; P451-P511 HydrophobicContact CB-CG 4.47Å; Y452-P511 PolarHBondContact N-O 3.47Å; Y452-P511 WeakPolarHBondContact O-CA 3.46Å; I453-P511 HydrophobicContact CG1-CB 4.23Å; P511-P570 WeakPolarHBondContact CD-O 3.39Å; P511-P570 WeakPolarHBondContact CG-O 3.18Å; P511-I573 HydrophobicContact CB-CG2 4.5Å; P511-I573 HydrophobicContact CG-CG2 3.94Å; P511-L616 HydrophobicContact CG-CD2 4.24Å
512	I	90.9	Very high	79.6	Confident	3 Å²	3	44 Å²	44	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.1	-179.9	58.8	169.7	0	0	0	110.6	I446 L510 V527 T614 P615 L616 W690	I446-I512 HydrophobicContact CG2-CB 4.28Å; I446-I512 HydrophobicContact CG2-CG2 4.35Å; L510-I512 HydrophobicContact CB-CD1 4.4Å; L510-I512 HydrophobicContact CB-CG1 3.92Å; L510-I512 PolarHBondContact O-N 2.71Å; I512-V527 HydrophobicContact CD1-CB 4.21Å; I512-V527 HydrophobicContact CD1-CG2 3.83Å; I512-V527 HydrophobicContact CG1-CB 4.13Å; I512-V527 HydrophobicContact CG1-CG2 3.88Å; I512-T614 HydrophobicContact CD1-CG2 4.1Å; I512-P615 HydrophobicContact CG2-CG 3.94Å; I512-L616 HydrophobicContact CD1-CD1 4.07Å; I512-L616 HydrophobicContact CG2-CD2 4.07Å; I512-L616 HydrophobicContact CG2-CG 4.29Å; I512-W690 HydrophobicContact CD1-CZ3 4.16Å
513	K	88.2	Confident	79	Confident	93 Å²	93	39.9 Å²	39.9	40%	0.404	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	146.1	172.3	-69.5	-177.8	-179.9	179.6	0	110.2	Y452 S525	Y452-K513 HydrophobicContact CD1-CD 4.36Å; Y452-K513 HydrophobicContact CD1-CG 3.39Å; Y452-K513 HydrophobicContact CD2-CD 4.14Å; Y452-K513 HydrophobicContact CD2-CG 3.99Å; Y452-K513 HydrophobicContact CE1-CD 4.44Å; Y452-K513 HydrophobicContact CE1-CG 3.7Å; Y452-K513 HydrophobicContact CE2-CD 4.25Å; Y452-K513 HydrophobicContact CE2-CG 4.26Å; Y452-K513 HydrophobicContact CG-CD 4.19Å; Y452-K513 HydrophobicContact CG-CG 3.53Å; Y452-K513 VanDerWaalsContact CZ-CE 3.49Å; K513-S525 WeakPolarHBondContact CA-O 3.49Å
514	T	88.4	Confident	79.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	149.2	166.7	-172.8	0	0	0	0	110.6	Y524 S525 V527 N556 R557 W690	T514-Y524 WeakPolarHBondContact O-CA 3.48Å; T514-S525 PolarHBondContact N-O 3.23Å; T514-S525 PolarHBondContact O-N 3.38Å; T514-V527 HydrophobicContact CG2-CG2 3.47Å; T514-V527 VanDerWaalsContact CG2-CG2 3.47Å; T514-N556 HydrophobicContact CG2-CB 3.84Å; T514-N556 PolarHBondContact O-ND2 3.45Å; T514-R557 HydrophobicContact CG2-CB 4.14Å; T514-R557 HydrophobicContact CG2-CG 3.74Å; T514-R557 PolarHBondContact OG1-NE 3.21Å; T514-W690 PolarHBondContact OG1-O 2.88Å
515	V	83.9	Confident	79.1	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.03	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.2	173.4	67.7	0	0	0	0	111.6	S523 Y524 R557 T687 W690 E691	V515-S523 CarbonylContact C-O 3.6Å; V515-S523 WeakPolarHBondContact CA-O 3.43Å; V515-Y524 HydrophobicContact CB-CD1 4.11Å; V515-Y524 HydrophobicContact CB-CE1 3.7Å; V515-Y524 HydrophobicContact CG2-CE1 4.21Å; V515-Y524 HydrophobicContact CG2-CE2 4.46Å; V515-R557 PolarHBondContact O-NH2 3.25Å; V515-T687 WeakPolarHBondContact CG1-OG1 3.05Å; V515-W690 PolarHBondContact N-O 3.03Å; V515-E691 HydrophobicContact CG1-CG 4.1Å
516	G	75.4	Confident	79.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	168	171.7	0	0	0	0	0	110.7	R522 S523 N556 P685	G516-R522 WeakPolarHBondContact O-CA 3.4Å; G516-S523 PolarHBondContact N-O 3.43Å; G516-S523 PolarHBondContact O-N 3.13Å; G516-N556 PolarHBondContact N-ND2 3.04Å; G516-P685 CarbonylContact C-O 3.58Å; G516-P685 WeakPolarHBondContact CA-O 3.39Å
517	V	67	Low	79.5	Confident	34 Å²	34	37.6 Å²	37.6	21%	0.206	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.2	173.3	170.7	0	0	0	0	107.8	R522 P685 T687	V517-R522 HydrophobicContact CG2-CG 4.24Å; V517-P685 PolarHBondContact N-O 3.33Å; V517-P685 WeakPolarHBondContact O-CA 3.21Å; V517-T687 HydrophobicContact CB-CG2 4.22Å; V517-T687 HydrophobicContact CG2-CG2 3.51Å
518	Q	63.3	Low	79.7	Confident	59 Å²	59	37.5 Å²	37.5	28%	0.276	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	114.9	177.7	-68.2	-176.5	-1.6	0	0	108.3	D520 C521 H553 N556 P685	Q518-D520 PolarHBondContact O-N 2.68Å; Q518-C521 PolarHBondContact N-O 3.41Å; Q518-C521 VanDerWaalsContact N-O 3.16Å; Q518-C521 PolarHBondContact O-N 3Å; Q518-H553 PolarHBondContact NE2-O 2.74Å; Q518-H553 PolarHBondContact OE1-O 3.49Å; Q518-N556 PolarHBondContact NE2-OD1 3.42Å; Q518-P685 HydrophobicContact CG-CB 4.32Å
519	G	62.6	Low	79.7	Confident	67 Å²	67	37.2 Å²	37.2	69%	0.691	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	-128.7	-167.6	0	0	0	0	0	110.6
520	D	49.9	Very low	79.7	Confident	160 Å²	160	37.2 Å²	37.2	86%	0.856	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-5.3	-175.9	-57.8	-31.5	0	0	0	113.3	Q518	Q518-D520 PolarHBondContact O-N 2.68Å
521	C	48.3	Very low	79.7	Confident	90 Å²	90	37.3 Å²	37.3	61%	0.608	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.5	-173.6	-60.8	0	0	0	0	113.2	Q518	Q518-C521 PolarHBondContact N-O 3.41Å; Q518-C521 VanDerWaalsContact N-O 3.16Å; Q518-C521 PolarHBondContact O-N 3Å
522	R	66.7	Low	79.5	Confident	137 Å²	137	37.6 Å²	37.6	52%	0.517	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	138.1	165.6	-67.2	-172.6	-174.9	-171.5	6.3	109.9	I385 G516 V517	I385-R522 PolarHBondContact O-NH2 2.76Å; G516-R522 WeakPolarHBondContact O-CA 3.4Å; V517-R522 HydrophobicContact CG2-CG 4.24Å
523	S	70.7	Confident	79.2	Confident	30 Å²	30	45 Å²	45	21%	0.21	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149	178.1	64.3	0	0	0	0	111	V515 G516 N556	V515-S523 CarbonylContact C-O 3.6Å; V515-S523 WeakPolarHBondContact CA-O 3.43Å; G516-S523 PolarHBondContact N-O 3.43Å; G516-S523 PolarHBondContact O-N 3.13Å; S523-N556 PolarHBondContact O-ND2 3.44Å; S523-N556 VanDerWaalsContact O-ND2 3.07Å; S523-N556 PolarHBondContact OG-ND2 2.93Å; S523-N556 PolarHBondContact OG-OD1 3.01Å
524	Y	81.2	Confident	78.9	Confident	81 Å²	81	46.2 Å²	46.2	32%	0.318	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	112.1	172.7	-74.2	-90.4	0	0	0	109.2	V330 T514 V515	V330-Y524 HydrophobicContact CG2-CE1 3.94Å; T514-Y524 WeakPolarHBondContact O-CA 3.48Å; V515-Y524 HydrophobicContact CB-CD1 4.11Å; V515-Y524 HydrophobicContact CB-CE1 3.7Å; V515-Y524 HydrophobicContact CG2-CE1 4.21Å; V515-Y524 HydrophobicContact CG2-CE2 4.46Å
525	S	85.8	Confident	78.5	Confident	17 Å²	17	50.8 Å²	50.8	12%	0.119	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	-171	-170.7	-141	0	0	0	0	112.3	K513 T514 T554 N556	K513-S525 WeakPolarHBondContact CA-O 3.49Å; T514-S525 PolarHBondContact N-O 3.23Å; T514-S525 PolarHBondContact O-N 3.38Å; S525-T554 WeakPolarHBondContact CB-O 3.49Å; S525-T554 VanDerWaalsContact OG-C 3.32Å; S525-T554 PolarHBondContact OG-O 2.8Å; S525-N556 VanDerWaalsContact CB-CG 3.5Å; S525-N556 WeakPolarHBondContact CB-ND2 3.18Å; S525-N556 PolarHBondContact N-ND2 2.81Å; S525-N556 VanDerWaalsContact N-ND2 3.18Å
526	Y	91.4	Very high	78.5	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	158.6	-170.3	-64.2	-70.8	0	0	0	114.8	Y452 C454 F457 L509 T554 N556	Y452-Y526 AromaticContact CD1-CD1 3.64Å; Y452-Y526 HydrophobicContact CD1-CD1 3.64Å; Y452-Y526 AromaticContact CD1-CE1 3.25Å; Y452-Y526 HydrophobicContact CD1-CE1 3.25Å; Y452-Y526 AromaticContact CD1-CZ 3.92Å; Y452-Y526 AromaticContact CE1-CD1 3.73Å; Y452-Y526 HydrophobicContact CE1-CD1 3.73Å; Y452-Y526 HydrophobicContact CE1-CD2 4.43Å; Y452-Y526 AromaticContact CE1-CE1 3.31Å; Y452-Y526 HydrophobicContact CE1-CE1 3.31Å; Y452-Y526 HydrophobicContact CE1-CE2 4.1Å; Y452-Y526 HydrophobicContact CE1-CG 4.25Å; Y452-Y526 AromaticContact CE1-CZ 3.51Å; Y452-Y526 HydrophobicContact CG-CE1 4.15Å; Y452-Y526 WeakPolarHBondContact O-CE1 3.35Å; C454-Y526 WeakPolarHBondContact CA-OH 3.36Å; C454-Y526 WeakPolarHBondContact CB-OH 3.45Å; C454-Y526 PolarHBondContact N-OH 3.03Å; C454-Y526 PolarHBondContact SG-OH 3.22Å; C454-Y526 VanDerWaalsContact SG-OH 3.33Å; F457-Y526 HydrophobicContact CD2-CD1 4.45Å; F457-Y526 AromaticContact CD2-CE1 3.9Å; F457-Y526 HydrophobicContact CD2-CE1 3.9Å; F457-Y526 HydrophobicContact CE2-CE1 4.46Å; L509-Y526 HydrophobicContact CD1-CD1 4.38Å; L509-Y526 HydrophobicContact CD1-CD2 4.21Å; L509-Y526 HydrophobicContact CD1-CG 4.12Å; L509-Y526 HydrophobicContact CD2-CG 4.39Å; Y526-T554 PolarHBondContact N-O 2.98Å; Y526-T554 VanDerWaalsContact N-O 3.16Å; Y526-N556 PolarHBondContact O-N 3.02Å
527	V	94	Very high	79.1	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130	165.4	-177.1	0	0	0	0	109.2	L510 I512 T514 R557 V559 W690	L510-V527 HydrophobicContact CB-CB 4.33Å; L510-V527 HydrophobicContact CD1-CB 4.3Å; L510-V527 HydrophobicContact CD1-CG1 3.89Å; L510-V527 PolarHBondContact N-O 3.44Å; I512-V527 HydrophobicContact CD1-CB 4.21Å; I512-V527 HydrophobicContact CD1-CG2 3.83Å; I512-V527 HydrophobicContact CG1-CB 4.13Å; I512-V527 HydrophobicContact CG1-CG2 3.88Å; T514-V527 HydrophobicContact CG2-CG2 3.47Å; T514-V527 VanDerWaalsContact CG2-CG2 3.47Å; V527-R557 HydrophobicContact CG1-CB 4.34Å; V527-R557 HydrophobicContact CG2-CB 4.42Å; V527-V559 HydrophobicContact CG1-CG1 4.07Å; V527-V559 HydrophobicContact CG1-CG2 3.93Å; V527-W690 HydrophobicContact CG1-CH2 3.79Å; V527-W690 HydrophobicContact CG1-CZ3 4.25Å; V527-W690 HydrophobicContact CG2-CH2 4.16Å; V527-W690 HydrophobicContact CG2-CZ3 3.94Å
528	C	94.4	Very high	80.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.5	170.2	179.6	0	0	0	0	110	L464 F508 I548 I555 R557 V558 V559	L464-C528 HydrophobicContact CD1-CB 4.45Å; F508-C528 CarbonylContact O-C 3.32Å; F508-C528 WeakPolarHBondContact O-CA 3.3Å; C528-I548 HydrophobicContact CB-CG2 4.42Å; C528-I555 HydrophobicContact CB-CD1 4.27Å; C528-I555 HydrophobicContact CB-CG2 3.8Å; C528-R557 PolarHBondContact N-O 3.21Å; C528-V558 HydrophobicContact CB-CG2 4.2Å; C528-V558 CarbonylContact O-C 3.44Å; C528-V558 WeakPolarHBondContact O-CA 3.35Å; C528-V559 PolarHBondContact O-N 3.34Å
529	G	94.2	Very high	81.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.1	170.2	0	0	0	0	0	111.1	A507 F508 V559	A507-G529 VanDerWaalsContact CA-O 3.28Å; A507-G529 WeakPolarHBondContact CA-O 3.38Å; F508-G529 PolarHBondContact N-O 2.96Å; F508-G529 PolarHBondContact O-N 3.15Å; G529-V559 CarbonylContact C-O 3.54Å
530	V	93.4	Very high	82.6	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.3	174.4	-175.8	0	0	0	0	109.2	N506 A507 L541 V558 V559 Y560 I561	N506-V530 CarbonylContact O-C 3.44Å; N506-V530 WeakPolarHBondContact O-CA 3.36Å; A507-V530 HydrophobicContact CB-CG2 4.2Å; V530-L541 HydrophobicContact CG1-CD2 3.8Å; V530-V558 HydrophobicContact CG2-CG1 3.76Å; V530-V559 PolarHBondContact N-O 3.11Å; V530-Y560 WeakPolarHBondContact O-CA 3.41Å; V530-I561 PolarHBondContact O-N 3.05Å
531	T	91.9	Very high	84.5	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.9	175	54.4	0	0	0	0	110.3	L505 N506 F508 I561 V566	L505-T531 CarbonylContact C-O 3.58Å; L505-T531 WeakPolarHBondContact CA-O 3.46Å; N506-T531 PolarHBondContact N-O 3.05Å; N506-T531 PolarHBondContact O-N 3.22Å; N506-T531 PolarHBondContact O-OG1 3.34Å; F508-T531 HydrophobicContact CE1-CG2 4.26Å; F508-T531 HydrophobicContact CZ-CG2 4.33Å; T531-I561 HydrophobicContact CG2-CB 3.77Å; T531-I561 HydrophobicContact CG2-CD1 4.24Å; T531-I561 HydrophobicContact CG2-CG1 4.46Å; T531-I561 HydrophobicContact CG2-CG2 4.36Å; T531-V566 HydrophobicContact CG2-CB 4.04Å; T531-V566 HydrophobicContact CG2-CG2 3.74Å
532	S	88.4	Confident	86.4	Confident	7 Å²	7	44.1 Å²	44.1	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.2	172.7	58.7	0	0	0	0	110.6	E534 Y560	S532-E534 PolarHBondContact OG-O 3.44Å; S532-Y560 PolarHBondContact OG-OH 2.92Å
533	K	83.5	Confident	87.4	Confident	160 Å²	160	39.5 Å²	39.5	70%	0.696	20%	0.198	S	C	*	.	S	Bend	trans	-79	-28.9	170.7	-168.7	178.4	178.6	-173.2	0	112.4	S504	S504-K533 PolarHBondContact O-N 3.4Å
534	E	82.1	Confident	88.2	Confident	117 Å²	117	38.1 Å²	38.1	55%	0.547	19%	0.188	S	C	.	.	S	Bend	trans	-107.3	-180	-177.9	-63.7	177.1	-173	0	0	111.1	S532	S532-E534 PolarHBondContact OG-O 3.44Å
535	S	80.9	Confident	88.5	Confident	96 Å²	96	34.4 Å²	34.4	67%	0.671	17%	0.174	S	C	*	.	S	Bend	trans	-55.4	140.2	173.8	48.8	0	0	0	0	111.3	H537	S535-H537 PolarHBondContact O-N 3.16Å
536	P	84.4	Confident	88.4	Confident	20 Å²	20	40.8 Å²	40.8	13%	0.13	20%	0.195	C	C	.	.			trans	-66.2	122.9	-176.7	24.7	-31.6	0	0	0	111.6	W538 L541 Y560	P536-W538 HydrophobicContact CB-CD2 4.36Å; P536-W538 HydrophobicContact CB-CH2 4.25Å; P536-W538 HydrophobicContact CB-CZ2 3.96Å; P536-W538 HydrophobicContact CG-CH2 4.09Å; P536-W538 HydrophobicContact CG-CZ2 3.47Å; P536-W538 VanDerWaalsContact CG-CZ2 3.47Å; P536-W538 PolarHBondContact O-N 2.54Å; P536-L541 HydrophobicContact CB-CD1 3.67Å; P536-Y560 HydrophobicContact CB-CD1 4.49Å; P536-Y560 HydrophobicContact CB-CE1 3.84Å; P536-Y560 HydrophobicContact CB-CE2 4.13Å; P536-Y560 HydrophobicContact CG-CE1 4.04Å
537	H	87.7	Confident	88	Confident	82 Å²	82	40.6 Å²	40.6	38%	0.38	20%	0.195	S	C	.	.			trans	-86	99.2	166	-168.9	-98	0	0	0	109.9	H503 S535 E539 S540 L541	H503-H537 WeakPolarHBondContact NE2-CB 3.47Å; S535-H537 PolarHBondContact O-N 3.16Å; H537-E539 PolarHBondContact O-N 3.07Å; H537-S540 PolarHBondContact ND1-N 2.97Å; H537-S540 PolarHBondContact ND1-OG 3.26Å; H537-S540 PolarHBondContact O-N 2.81Å; H537-L541 WeakPolarHBondContact O-CG 3.31Å; H537-L541 PolarHBondContact O-N 3.27Å
538	W	89.4	Confident	87.6	Confident	15 Å²	15	40.6 Å²	40.6	6%	0.057	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-38.1	-169.4	-62.9	105.6	0	0	0	114.2	P536 S540 L541 M542 Y560 F562 M650 P651 E657 Y678 L680	P536-W538 HydrophobicContact CB-CD2 4.36Å; P536-W538 HydrophobicContact CB-CH2 4.25Å; P536-W538 HydrophobicContact CB-CZ2 3.96Å; P536-W538 HydrophobicContact CG-CH2 4.09Å; P536-W538 HydrophobicContact CG-CZ2 3.47Å; P536-W538 VanDerWaalsContact CG-CZ2 3.47Å; P536-W538 PolarHBondContact O-N 2.54Å; W538-S540 PolarHBondContact O-N 2.84Å; W538-L541 HydrophobicContact CE3-CD1 4.18Å; W538-L541 HydrophobicContact CZ3-CD1 4.38Å; W538-L541 PolarHBondContact O-N 3.18Å; W538-M542 WeakPolarHBondContact O-CB 3.28Å; W538-M542 VanDerWaalsContact O-CG 3.31Å; W538-M542 WeakPolarHBondContact O-CG 3.43Å; W538-M542 PolarHBondContact O-N 3.02Å; W538-Y560 HydrophobicContact CH2-CD1 4.03Å; W538-Y560 HydrophobicContact CH2-CE1 4.41Å; W538-Y560 HydrophobicContact CZ3-CD1 4.24Å; W538-F562 AromaticContact CH2-CE1 3.81Å; W538-F562 HydrophobicContact CH2-CE1 3.81Å; W538-F562 AromaticContact CH2-CZ 3.65Å; W538-F562 HydrophobicContact CH2-CZ 3.65Å; W538-F562 HydrophobicContact CZ2-CE1 4.15Å; W538-F562 HydrophobicContact CZ2-CZ 4.3Å; W538-M650 HydrophobicContact CB-CG 3.88Å; W538-M650 HydrophobicContact CB-SD 4.39Å; W538-P651 HydrophobicContact CD2-CB 3.78Å; W538-P651 HydrophobicContact CD2-CG 3.65Å; W538-P651 HydrophobicContact CE3-CB 4.32Å; W538-P651 HydrophobicContact CE3-CG 3.66Å; W538-P651 HydrophobicContact CG-CB 4.11Å; W538-P651 HydrophobicContact CG-CG 4.34Å; W538-P651 HydrophobicContact CH2-CB 4.47Å; W538-P651 HydrophobicContact CH2-CG 3.87Å; W538-P651 HydrophobicContact CZ2-CB 3.95Å; W538-P651 HydrophobicContact CZ2-CG 3.86Å; W538-P651 HydrophobicContact CZ3-CG 3.78Å; W538-E657 VanDerWaalsContact NE1-CD 3.32Å; W538-E657 PolarHBondContact NE1-OE1 3.24Å; W538-Y678 HydrophobicContact CZ3-CD1 4.32Å; W538-Y678 HydrophobicContact CZ3-CG 4.48Å; W538-L680 HydrophobicContact CE3-CD2 4.26Å; W538-L680 HydrophobicContact CZ3-CD2 4.27Å
539	E	87.8	Confident	87.1	Confident	127 Å²	127	41 Å²	41	59%	0.593	20%	0.198	S	C	*	.	H	α-helix	trans	-64.6	-40.8	178.1	-63.5	-175.8	170	0	0	111.8	H537 M542 F543 M650	H537-E539 PolarHBondContact O-N 3.07Å; E539-M542 PolarHBondContact O-N 3.06Å; E539-F543 WeakPolarHBondContact O-CB 3.31Å; E539-F543 PolarHBondContact O-N 3.14Å; E539-M650 HydrophobicContact CG-CE 3.96Å; E539-M650 HydrophobicContact CG-SD 4.06Å
540	S	88.9	Confident	86.3	Confident	12 Å²	12	46.9 Å²	46.9	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-65.8	-41.4	176.5	-60.8	0	0	0	0	111.4	H537 W538 F543 L544	H537-S540 PolarHBondContact ND1-N 2.97Å; H537-S540 PolarHBondContact ND1-OG 3.26Å; H537-S540 PolarHBondContact O-N 2.81Å; W538-S540 PolarHBondContact O-N 2.84Å; S540-F543 WeakPolarHBondContact O-CB 3.33Å; S540-F543 PolarHBondContact O-N 3.16Å; S540-L544 WeakPolarHBondContact O-CG 3.44Å; S540-L544 PolarHBondContact O-N 2.92Å
541	L	89.6	Confident	85.5	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-40.7	178	-70.3	173.3	0	0	0	111.7	L505 V530 P536 H537 W538 L544 A545 Y560 L680	L505-L541 HydrophobicContact CD2-CD2 4.49Å; V530-L541 HydrophobicContact CG1-CD2 3.8Å; P536-L541 HydrophobicContact CB-CD1 3.67Å; H537-L541 WeakPolarHBondContact O-CG 3.31Å; H537-L541 PolarHBondContact O-N 3.27Å; W538-L541 HydrophobicContact CE3-CD1 4.18Å; W538-L541 HydrophobicContact CZ3-CD1 4.38Å; W538-L541 PolarHBondContact O-N 3.18Å; L541-L544 PolarHBondContact O-N 2.87Å; L541-A545 WeakPolarHBondContact O-CB 3.49Å; L541-A545 PolarHBondContact O-N 2.79Å; L541-Y560 HydrophobicContact CD1-CD2 3.59Å; L541-Y560 HydrophobicContact CD1-CE2 3.98Å; L541-Y560 HydrophobicContact CD1-CG 3.94Å; L541-Y560 HydrophobicContact CD2-CD2 3.97Å; L541-Y560 HydrophobicContact CG-CD2 4.46Å; L541-L680 HydrophobicContact CB-CD1 3.79Å
542	M	87.8	Confident	84.8	Confident	16 Å²	16	48.8 Å²	48.8	8%	0.079	23%	0.23	C	C	.	.	H	α-helix	trans	-66	-37	174.6	-73.6	-65.8	-172.9	0	0	112.1	W538 E539 A545 R546 A648 M650 L680	W538-M542 WeakPolarHBondContact O-CB 3.28Å; W538-M542 VanDerWaalsContact O-CG 3.31Å; W538-M542 WeakPolarHBondContact O-CG 3.43Å; W538-M542 PolarHBondContact O-N 3.02Å; E539-M542 PolarHBondContact O-N 3.06Å; M542-A545 PolarHBondContact O-N 3.11Å; M542-R546 PolarHBondContact O-N 2.79Å; M542-A648 HydrophobicContact CE-CB 3.95Å; M542-M650 HydrophobicContact CE-CB 3.98Å; M542-M650 HydrophobicContact CE-CG 4.25Å; M542-M650 HydrophobicContact CG-CG 4.18Å; M542-M650 HydrophobicContact CG-SD 3.9Å; M542-L680 HydrophobicContact CE-CD2 3.75Å; M542-L680 HydrophobicContact SD-CB 4.07Å; M542-L680 HydrophobicContact SD-CD2 3.93Å
543	F	87.7	Confident	84.3	Confident	39 Å²	39	54.6 Å²	54.6	17%	0.171	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-49.5	172.3	174.7	-101.3	0	0	0	111.3	E492 K495 I499 E539 S540 A545 R546 L547	E492-F543 HydrophobicContact CB-CZ 4.05Å; E492-F543 HydrophobicContact CG-CE2 4.08Å; E492-F543 HydrophobicContact CG-CZ 3.98Å; K495-F543 HydrophobicContact CB-CE1 4.34Å; K495-F543 HydrophobicContact CB-CZ 4.17Å; K495-F543 HydrophobicContact CD-CE2 4.35Å; I499-F543 HydrophobicContact CD1-CB 4.45Å; I499-F543 HydrophobicContact CD1-CD1 3.51Å; I499-F543 HydrophobicContact CD1-CE1 4.1Å; I499-F543 HydrophobicContact CD1-CG 4.25Å; E539-F543 WeakPolarHBondContact O-CB 3.31Å; E539-F543 PolarHBondContact O-N 3.14Å; S540-F543 WeakPolarHBondContact O-CB 3.33Å; S540-F543 PolarHBondContact O-N 3.16Å; F543-A545 VanDerWaalsContact C-N 3.3Å; F543-A545 PolarHBondContact O-N 2.91Å; F543-R546 PolarHBondContact O-N 2.98Å; F543-R546 VanDerWaalsContact O-N 3.13Å; F543-L547 HydrophobicContact CE1-CD2 3.98Å; F543-L547 HydrophobicContact CZ-CD2 4.28Å; F543-L547 PolarHBondContact O-N 3.39Å
544	L	87.6	Confident	84.2	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-38.6	176	-70.3	174.8	0	0	0	112.4	I467 L496 L505 S540 L541 R546 L547 I548	I467-L544 HydrophobicContact CG2-CD2 4.1Å; L496-L544 HydrophobicContact CD1-CD2 3.6Å; L505-L544 HydrophobicContact CD1-CD1 3.61Å; S540-L544 WeakPolarHBondContact O-CG 3.44Å; S540-L544 PolarHBondContact O-N 2.92Å; L541-L544 PolarHBondContact O-N 2.87Å; L544-R546 PolarHBondContact O-N 3.03Å; L544-L547 PolarHBondContact O-N 3.19Å; L544-I548 HydrophobicContact CB-CD1 4.31Å; L544-I548 WeakPolarHBondContact O-CB 3.46Å; L544-I548 WeakPolarHBondContact O-CG1 3.15Å; L544-I548 PolarHBondContact O-N 2.87Å
545	A	88.3	Confident	84.4	Confident	3 Å²	3	43.5 Å²	43.5	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-25	177.8	0	0	0	0	0	113.5	L541 M542 F543 P549 V558 L680	L541-A545 WeakPolarHBondContact O-CB 3.49Å; L541-A545 PolarHBondContact O-N 2.79Å; M542-A545 PolarHBondContact O-N 3.11Å; F543-A545 VanDerWaalsContact C-N 3.3Å; F543-A545 PolarHBondContact O-N 2.91Å; A545-P549 WeakPolarHBondContact O-CD 3.35Å; A545-P549 WeakPolarHBondContact O-CG 3.44Å; A545-V558 HydrophobicContact CB-CB 3.96Å; A545-V558 HydrophobicContact CB-CG1 4.21Å; A545-L680 HydrophobicContact CB-CB 3.56Å; A545-L680 HydrophobicContact CB-CD1 4.45Å
546	R	83.4	Confident	84.6	Confident	151 Å²	151	39 Å²	39	57%	0.57	18%	0.178	S	C	*	.	H	α-helix	trans	-88.2	-33.9	172.7	-66.3	177.4	-173.4	161.6	2.8	112.7	M542 F543 L544	M542-R546 PolarHBondContact O-N 2.79Å; F543-R546 PolarHBondContact O-N 2.98Å; F543-R546 VanDerWaalsContact O-N 3.13Å; L544-R546 PolarHBondContact O-N 3.03Å
547	L	82.6	Confident	85	Confident	0 Å²	0	38 Å²	38	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-73.8	-47.5	-176.9	-173.8	64.8	0	0	0	111.8	I488 L496 F543 L544 R550 M551	I488-L547 HydrophobicContact CG2-CD1 4.02Å; L496-L547 HydrophobicContact CD1-CD2 4.27Å; L496-L547 HydrophobicContact CD2-CD2 4.35Å; F543-L547 HydrophobicContact CE1-CD2 3.98Å; F543-L547 HydrophobicContact CZ-CD2 4.28Å; F543-L547 PolarHBondContact O-N 3.39Å; L544-L547 PolarHBondContact O-N 3.19Å; L547-R550 WeakPolarHBondContact O-CB 3.45Å; L547-R550 PolarHBondContact O-N 3.04Å; L547-R550 VanDerWaalsContact O-N 3.16Å; L547-M551 HydrophobicContact CD1-CG 4.49Å; L547-M551 HydrophobicContact CD1-SD 4.29Å; L547-M551 HydrophobicContact CD2-SD 4.42Å; L547-M551 HydrophobicContact CG-SD 3.96Å; L547-M551 WeakPolarHBondContact O-CG 3.42Å; L547-M551 PolarHBondContact O-N 2.98Å; L547-M551 VanDerWaalsContact O-N 3.12Å
548	I	86.4	Confident	85.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.9	-50.5	-173.5	-70.4	166	0	0	0	112.4	L464 I467 C528 L544 R550 M551 C552 I555 V558	L464-I548 HydrophobicContact CD2-CD1 4.21Å; L464-I548 HydrophobicContact CD2-CG1 4.23Å; L464-I548 HydrophobicContact CD2-CG2 3.63Å; I467-I548 HydrophobicContact CD1-CG1 4.45Å; I467-I548 HydrophobicContact CG2-CG1 4.45Å; C528-I548 HydrophobicContact CB-CG2 4.42Å; L544-I548 HydrophobicContact CB-CD1 4.31Å; L544-I548 WeakPolarHBondContact O-CB 3.46Å; L544-I548 WeakPolarHBondContact O-CG1 3.15Å; L544-I548 PolarHBondContact O-N 2.87Å; I548-R550 VanDerWaalsContact C-N 3.25Å; I548-R550 PolarHBondContact O-N 3.37Å; I548-M551 PolarHBondContact O-N 3.22Å; I548-C552 PolarHBondContact O-N 2.97Å; I548-I555 HydrophobicContact CG2-CB 4.48Å; I548-I555 HydrophobicContact CG2-CD1 3.53Å; I548-I555 HydrophobicContact CG2-CG2 4.2Å; I548-V558 HydrophobicContact CB-CG2 4.04Å; I548-V558 HydrophobicContact CD1-CG1 4.27Å; I548-V558 HydrophobicContact CD1-CG2 4.42Å; I548-V558 HydrophobicContact CG2-CG2 4.06Å
549	P	82.3	Confident	85.6	Confident	9 Å²	9	33.4 Å²	33.4	6%	0.058	15%	0.151	C	C	.	.	H	α-helix	trans	-67.2	-25.4	179.5	-24	37.2	0	0	0	114	A545 C552 V558 P685	A545-P549 WeakPolarHBondContact O-CD 3.35Å; A545-P549 WeakPolarHBondContact O-CG 3.44Å; P549-C552 CarbonylContact O-C 3.54Å; P549-V558 HydrophobicContact CG-CG2 3.94Å; P549-P685 HydrophobicContact CB-CB 4.42Å; P549-P685 HydrophobicContact CB-CG 3.55Å; P549-P685 HydrophobicContact CG-CG 3.94Å
550	R	78.3	Confident	86	Confident	123 Å²	123	27.8 Å²	27.8	46%	0.464	12%	0.124	S	C	.	.	H	α-helix	trans	-70.8	-36.1	176.3	-160.2	-164.8	-43.6	156.6	5.3	111.5	E492 L547 I548 H553	E492-R550 VanDerWaalsContact CD-NH1 3.33Å; E492-R550 IonicContact OE1-CZ 2.77Å; E492-R550 VanDerWaalsContact OE1-CZ 3.3Å; E492-R550 IonicContact OE1-NH1 2.64Å; E492-R550 PolarHBondContact OE1-NH1 2.74Å; E492-R550 IonicContact OE1-NH2 3.55Å; E492-R550 PolarHBondContact OE1-NH2 3.11Å; E492-R550 IonicContact OE2-NH1 3.8Å; E492-R550 PolarHBondContact OE2-NH1 2.8Å; L547-R550 WeakPolarHBondContact O-CB 3.45Å; L547-R550 PolarHBondContact O-N 3.04Å; L547-R550 VanDerWaalsContact O-N 3.16Å; I548-R550 VanDerWaalsContact C-N 3.25Å; I548-R550 PolarHBondContact O-N 3.37Å; R550-H553 PolarHBondContact O-CD2 3.07Å; R550-H553 PolarHBondContact O-NE2 3.38Å
551	M	75.6	Confident	86.3	Confident	33 Å²	33	27.2 Å²	27.2	16%	0.163	12%	0.12	C	C	.	.	H	α-helix	trans	-79.2	-40.5	176.1	-66.1	177.8	66.3	0	0	112	I467 V484 I488 L547 I548	I467-M551 HydrophobicContact CD1-CE 3.76Å; I467-M551 HydrophobicContact CD1-SD 3.7Å; I467-M551 HydrophobicContact CG1-CE 4.05Å; I467-M551 HydrophobicContact CG1-SD 4.22Å; V484-M551 HydrophobicContact CB-CE 3.9Å; V484-M551 HydrophobicContact CG1-CE 3.56Å; V484-M551 HydrophobicContact CG2-CE 3.72Å; I488-M551 HydrophobicContact CG2-SD 4.13Å; L547-M551 HydrophobicContact CD1-CG 4.49Å; L547-M551 HydrophobicContact CD1-SD 4.29Å; L547-M551 HydrophobicContact CD2-SD 4.42Å; L547-M551 HydrophobicContact CG-SD 3.96Å; L547-M551 WeakPolarHBondContact O-CG 3.42Å; L547-M551 PolarHBondContact O-N 2.98Å; L547-M551 VanDerWaalsContact O-N 3.12Å; I548-M551 PolarHBondContact O-N 3.22Å
552	C	78.8	Confident	86.4	Confident	10 Å²	10	27.8 Å²	27.8	7%	0.068	12%	0.123	C	C	.	.			trans	-119	91.2	-175.5	-64.6	0	0	0	0	109.2	I548 P549 T554 I555	I548-C552 PolarHBondContact O-N 2.97Å; P549-C552 CarbonylContact O-C 3.54Å; C552-T554 PolarHBondContact O-N 2.95Å; C552-I555 HydrophobicContact CB-CB 4.43Å; C552-I555 HydrophobicContact CB-CD1 3.68Å; C552-I555 HydrophobicContact CB-CG1 3.93Å; C552-I555 PolarHBondContact O-N 3.43Å
553	H	76.4	Confident	86.3	Confident	129 Å²	129	29.2 Å²	29.2	60%	0.597	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.9	178	-68.8	-138.1	0	0	0	112.4	Q518 R550 I555	Q518-H553 PolarHBondContact NE2-O 2.74Å; Q518-H553 PolarHBondContact OE1-O 3.49Å; R550-H553 PolarHBondContact O-CD2 3.07Å; R550-H553 PolarHBondContact O-NE2 3.38Å; H553-I555 PolarHBondContact O-N 2.77Å
554	T	82.1	Confident	86.1	Confident	44 Å²	44	31.1 Å²	31.1	27%	0.27	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.8	171.5	55	0	0	0	0	113.3	S525 Y526 C552	S525-T554 WeakPolarHBondContact CB-O 3.49Å; S525-T554 VanDerWaalsContact OG-C 3.32Å; S525-T554 PolarHBondContact OG-O 2.8Å; Y526-T554 PolarHBondContact N-O 2.98Å; Y526-T554 VanDerWaalsContact N-O 3.16Å; C552-T554 PolarHBondContact O-N 2.95Å
555	I	86.1	Confident	85.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.8	179.3	-59.7	175.3	0	0	0	108.8	T460 L464 L509 C528 I548 C552 H553 R557 V558	T460-I555 HydrophobicContact CG2-CD1 3.82Å; T460-I555 HydrophobicContact CG2-CG1 4.19Å; L464-I555 HydrophobicContact CD1-CD1 4.16Å; L464-I555 HydrophobicContact CD2-CD1 3.88Å; L464-I555 HydrophobicContact CG-CD1 4.32Å; L509-I555 HydrophobicContact CD2-CD1 3.8Å; L509-I555 HydrophobicContact CD2-CG1 3.87Å; C528-I555 HydrophobicContact CB-CD1 4.27Å; C528-I555 HydrophobicContact CB-CG2 3.8Å; I548-I555 HydrophobicContact CG2-CB 4.48Å; I548-I555 HydrophobicContact CG2-CD1 3.53Å; I548-I555 HydrophobicContact CG2-CG2 4.2Å; C552-I555 HydrophobicContact CB-CB 4.43Å; C552-I555 HydrophobicContact CB-CD1 3.68Å; C552-I555 HydrophobicContact CB-CG1 3.93Å; C552-I555 PolarHBondContact O-N 3.43Å; H553-I555 PolarHBondContact O-N 2.77Å; I555-R557 VanDerWaalsContact CG2-O 3.24Å; I555-R557 WeakPolarHBondContact CG2-O 3.5Å; I555-V558 HydrophobicContact CG2-CG2 4.43Å
556	N	86.4	Confident	85.5	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-30.3	178.9	-78.9	-2.3	0	0	0	112.3	T514 G516 Q518 S523 S525 Y526 T681	T514-N556 HydrophobicContact CG2-CB 3.84Å; T514-N556 PolarHBondContact O-ND2 3.45Å; G516-N556 PolarHBondContact N-ND2 3.04Å; Q518-N556 PolarHBondContact NE2-OD1 3.42Å; S523-N556 PolarHBondContact O-ND2 3.44Å; S523-N556 VanDerWaalsContact O-ND2 3.07Å; S523-N556 PolarHBondContact OG-ND2 2.93Å; S523-N556 PolarHBondContact OG-OD1 3.01Å; S525-N556 VanDerWaalsContact CB-CG 3.5Å; S525-N556 WeakPolarHBondContact CB-ND2 3.18Å; S525-N556 PolarHBondContact N-ND2 2.81Å; S525-N556 VanDerWaalsContact N-ND2 3.18Å; Y526-N556 PolarHBondContact O-N 3.02Å; N556-T681 WeakPolarHBondContact O-CG2 3.47Å
557	R	91.8	Very high	85.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	152	-175.2	-66	-172.4	-169.1	-92.9	-9.9	113.4	T514 V515 V527 C528 I555 D679 T681 T687 E689 W690	T514-R557 HydrophobicContact CG2-CB 4.14Å; T514-R557 HydrophobicContact CG2-CG 3.74Å; T514-R557 PolarHBondContact OG1-NE 3.21Å; V515-R557 PolarHBondContact O-NH2 3.25Å; V527-R557 HydrophobicContact CG1-CB 4.34Å; V527-R557 HydrophobicContact CG2-CB 4.42Å; C528-R557 PolarHBondContact N-O 3.21Å; I555-R557 VanDerWaalsContact CG2-O 3.24Å; I555-R557 WeakPolarHBondContact CG2-O 3.5Å; R557-D679 IonicContact CZ-OD2 3.48Å; R557-D679 IonicContact NH1-OD2 2.88Å; R557-D679 PolarHBondContact NH1-OD2 3.19Å; R557-T681 VanDerWaalsContact CA-OG1 3.29Å; R557-T681 WeakPolarHBondContact CA-OG1 3.4Å; R557-T681 WeakPolarHBondContact CB-OG1 3.4Å; R557-T681 HydrophobicContact CG-CG2 4.28Å; R557-T687 PolarHBondContact NH1-O 3.08Å; R557-T687 PolarHBondContact NH2-O 3.2Å; R557-T687 VanDerWaalsContact NH2-O 3.12Å; R557-T687 PolarHBondContact NH2-OG1 2.95Å; R557-E689 PolarHBondContact NH2-O 3.33Å; R557-W690 HydrophobicContact CB-CZ2 4.48Å; R557-W690 VanDerWaalsContact CD-NE1 3.32Å
558	V	94.3	Very high	85.3	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.7	172	-173.9	0	0	0	0	108.8	C528 V530 A545 I548 P549 I555 L680 T681	C528-V558 HydrophobicContact CB-CG2 4.2Å; C528-V558 CarbonylContact O-C 3.44Å; C528-V558 WeakPolarHBondContact O-CA 3.35Å; V530-V558 HydrophobicContact CG2-CG1 3.76Å; A545-V558 HydrophobicContact CB-CB 3.96Å; A545-V558 HydrophobicContact CB-CG1 4.21Å; I548-V558 HydrophobicContact CB-CG2 4.04Å; I548-V558 HydrophobicContact CD1-CG1 4.27Å; I548-V558 HydrophobicContact CD1-CG2 4.42Å; I548-V558 HydrophobicContact CG2-CG2 4.06Å; P549-V558 HydrophobicContact CG-CG2 3.94Å; I555-V558 HydrophobicContact CG2-CG2 4.43Å; V558-L680 PolarHBondContact O-N 2.92Å; V558-L680 VanDerWaalsContact O-N 3.09Å; V558-T681 PolarHBondContact N-OG1 3.14Å; V558-T681 PolarHBondContact O-OG1 3.45Å
559	V	95.8	Very high	85.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.9	179.4	-59	0	0	0	0	111.9	L510 V527 C528 G529 V530 I561 V634 M677 Y678 D679 W690	L510-V559 HydrophobicContact CD1-CG2 4.18Å; V527-V559 HydrophobicContact CG1-CG1 4.07Å; V527-V559 HydrophobicContact CG1-CG2 3.93Å; C528-V559 PolarHBondContact O-N 3.34Å; G529-V559 CarbonylContact C-O 3.54Å; V530-V559 PolarHBondContact N-O 3.11Å; V559-I561 HydrophobicContact CG2-CG1 4.38Å; V559-V634 HydrophobicContact CG1-CG1 4.5Å; V559-M677 HydrophobicContact CB-CB 4.43Å; V559-M677 HydrophobicContact CG2-CB 4.41Å; V559-M677 HydrophobicContact CG2-SD 3.97Å; V559-Y678 CarbonylContact C-O 3.49Å; V559-Y678 VanDerWaalsContact CA-O 3.24Å; V559-Y678 WeakPolarHBondContact CA-O 3.42Å; V559-Y678 WeakPolarHBondContact CB-O 3.27Å; V559-D679 HydrophobicContact CG1-CB 4.3Å; V559-W690 HydrophobicContact CG1-CH2 3.33Å; V559-W690 HydrophobicContact CG1-CZ2 3.36Å
560	Y	95.4	Very high	85.5	Confident	8 Å²	8	43.6 Å²	43.6	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128	168.5	179.7	-107	0	0	0	110.2	V530 S532 P536 W538 L541 F562 M677 Y678	V530-Y560 WeakPolarHBondContact O-CA 3.41Å; S532-Y560 PolarHBondContact OG-OH 2.92Å; P536-Y560 HydrophobicContact CB-CD1 4.49Å; P536-Y560 HydrophobicContact CB-CE1 3.84Å; P536-Y560 HydrophobicContact CB-CE2 4.13Å; P536-Y560 HydrophobicContact CG-CE1 4.04Å; W538-Y560 HydrophobicContact CH2-CD1 4.03Å; W538-Y560 HydrophobicContact CH2-CE1 4.41Å; W538-Y560 HydrophobicContact CZ3-CD1 4.24Å; L541-Y560 HydrophobicContact CD1-CD2 3.59Å; L541-Y560 HydrophobicContact CD1-CE2 3.98Å; L541-Y560 HydrophobicContact CD1-CG 3.94Å; L541-Y560 HydrophobicContact CD2-CD2 3.97Å; L541-Y560 HydrophobicContact CG-CD2 4.46Å; Y560-F562 HydrophobicContact CD1-CD1 4.07Å; Y560-F562 HydrophobicContact CD1-CD2 4.43Å; Y560-F562 HydrophobicContact CD1-CE1 4Å; Y560-F562 HydrophobicContact CD1-CE2 4.4Å; Y560-F562 HydrophobicContact CD1-CG 4.28Å; Y560-F562 HydrophobicContact CD1-CZ 4.18Å; Y560-F562 AromaticContact CE1-CD1 3.6Å; Y560-F562 HydrophobicContact CE1-CD1 3.6Å; Y560-F562 AromaticContact CE1-CE1 3.78Å; Y560-F562 HydrophobicContact CE1-CE1 3.78Å; Y560-F562 HydrophobicContact CE1-CG 4.08Å; Y560-F562 HydrophobicContact CE1-CZ 4.42Å; Y560-M677 CarbonylContact O-C 3.54Å; Y560-M677 WeakPolarHBondContact O-CA 3.28Å; Y560-Y678 PolarHBondContact N-O 3.38Å; Y560-Y678 PolarHBondContact O-N 3.42Å
561	I	95	Very high	85.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.4	-179.1	-54.3	168.9	0	0	0	108.4	F508 V530 T531 V559 F618 R675 M677	F508-I561 HydrophobicContact CE2-CD1 3.84Å; F508-I561 HydrophobicContact CZ-CD1 3.61Å; V530-I561 PolarHBondContact O-N 3.05Å; T531-I561 HydrophobicContact CG2-CB 3.77Å; T531-I561 HydrophobicContact CG2-CD1 4.24Å; T531-I561 HydrophobicContact CG2-CG1 4.46Å; T531-I561 HydrophobicContact CG2-CG2 4.36Å; V559-I561 HydrophobicContact CG2-CG1 4.38Å; I561-F618 HydrophobicContact CD1-CE1 3.98Å; I561-F618 HydrophobicContact CD1-CZ 4.01Å; I561-R675 HydrophobicContact CG2-CB 4.22Å; I561-M677 HydrophobicContact CB-CG 4.3Å; I561-M677 HydrophobicContact CG1-CG 3.89Å; I561-M677 HydrophobicContact CG1-SD 3.96Å; I561-M677 HydrophobicContact CG2-CG 4.23Å
562	F	92.3	Very high	86.4	Confident	17 Å²	17	43 Å²	43	8%	0.075	24%	0.235	C	C	.	.			trans	-70.6	148.8	178.4	-66.9	-84.7	0	0	0	111.8	W538 Y560 V660 L661 V664 R675 V676 Y678	W538-F562 AromaticContact CH2-CE1 3.81Å; W538-F562 HydrophobicContact CH2-CE1 3.81Å; W538-F562 AromaticContact CH2-CZ 3.65Å; W538-F562 HydrophobicContact CH2-CZ 3.65Å; W538-F562 HydrophobicContact CZ2-CE1 4.15Å; W538-F562 HydrophobicContact CZ2-CZ 4.3Å; Y560-F562 HydrophobicContact CD1-CD1 4.07Å; Y560-F562 HydrophobicContact CD1-CD2 4.43Å; Y560-F562 HydrophobicContact CD1-CE1 4Å; Y560-F562 HydrophobicContact CD1-CE2 4.4Å; Y560-F562 HydrophobicContact CD1-CG 4.28Å; Y560-F562 HydrophobicContact CD1-CZ 4.18Å; Y560-F562 AromaticContact CE1-CD1 3.6Å; Y560-F562 HydrophobicContact CE1-CD1 3.6Å; Y560-F562 AromaticContact CE1-CE1 3.78Å; Y560-F562 HydrophobicContact CE1-CE1 3.78Å; Y560-F562 HydrophobicContact CE1-CG 4.08Å; Y560-F562 HydrophobicContact CE1-CZ 4.42Å; F562-V660 HydrophobicContact CE2-CG1 4.41Å; F562-V660 HydrophobicContact CZ-CG1 3.78Å; F562-L661 HydrophobicContact CD1-CD2 4.41Å; F562-L661 HydrophobicContact CE1-CD2 4.11Å; F562-V664 HydrophobicContact CB-CG1 3.92Å; F562-V664 HydrophobicContact CD1-CG1 4.49Å; F562-V664 HydrophobicContact CD1-CG2 4.18Å; F562-V664 HydrophobicContact CD2-CG1 4.25Å; F562-V664 HydrophobicContact CD2-CG2 3.42Å; F562-V664 VanDerWaalsContact CD2-CG2 3.42Å; F562-V664 HydrophobicContact CE1-CG2 4.16Å; F562-V664 HydrophobicContact CE2-CG2 3.36Å; F562-V664 HydrophobicContact CG-CG1 4Å; F562-V664 HydrophobicContact CG-CG2 3.84Å; F562-V664 HydrophobicContact CZ-CG2 3.76Å; F562-R675 PolarHBondContact O-NH1 3.09Å; F562-V676 HydrophobicContact CD2-CB 4.5Å; F562-V676 WeakPolarHBondContact CD2-O 3.31Å; F562-V676 PolarHBondContact N-O 3.12Å; F562-Y678 HydrophobicContact CE2-CD2 4.38Å; F562-Y678 HydrophobicContact CZ-CD2 4.48Å
563	G	85.9	Confident	87	Confident	46 Å²	46	43 Å²	43	47%	0.474	24%	0.235	S	C	.	.	S	Bend	trans	118.3	-161.5	175.3	0	0	0	0	0	112.9
564	S	83.1	Confident	87.7	Confident	78 Å²	78	37.1 Å²	37.1	55%	0.545	21%	0.208	S	C	.	.	S	Bend	trans	-66.6	158.1	177.7	51.4	0	0	0	0	111.6	V566 R675	S564-V566 PolarHBondContact O-N 2.87Å; S564-R675 VanDerWaalsContact O-CZ 3.25Å; S564-R675 PolarHBondContact O-NH1 3.04Å; S564-R675 PolarHBondContact O-NH2 2.96Å; S564-R675 PolarHBondContact OG-NH2 3.38Å
565	H	81.4	Confident	88	Confident	60 Å²	60	38.4 Å²	38.4	28%	0.278	22%	0.217	S	C	.	.			trans	-54.1	121.5	175.5	-176.2	-75.9	0	0	0	111.8	N506 K567	N506-H565 WeakPolarHBondContact CB-NE2 3.4Å; H565-K567 PolarHBondContact O-N 3.49Å
566	V	82.2	Confident	88	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.024	22%	0.217	C	C	.	.			trans	-77.2	110.5	176.7	175.8	0	0	0	0	108.1	N506 F508 T531 S564 E568 F618	N506-V566 PolarHBondContact ND2-O 3.42Å; F508-V566 HydrophobicContact CE1-CB 3.91Å; F508-V566 HydrophobicContact CE1-CG1 3.95Å; F508-V566 HydrophobicContact CZ-CB 3.87Å; F508-V566 HydrophobicContact CZ-CG1 3.71Å; F508-V566 HydrophobicContact CZ-CG2 4.28Å; T531-V566 HydrophobicContact CG2-CB 4.04Å; T531-V566 HydrophobicContact CG2-CG2 3.74Å; S564-V566 PolarHBondContact O-N 2.87Å; V566-E568 WeakPolarHBondContact CG1-O 3.41Å; V566-F618 HydrophobicContact CG1-CD1 4.46Å; V566-F618 HydrophobicContact CG2-CD1 4.29Å
567	K	77.8	Confident	88.1	Confident	184 Å²	184	42.6 Å²	42.6	80%	0.8	24%	0.235	S	C	*	.	S	Bend	trans	-77.6	-43.5	179	-66.6	-178.2	180	178.8	0	111.7	H565	H565-K567 PolarHBondContact O-N 3.49Å
568	E	83.5	Confident	87.8	Confident	120 Å²	120	44 Å²	44	56%	0.561	24%	0.243	S	C	*	.	S	Bend	trans	-126.2	114.5	-178.9	-65.7	-168.8	-161	0	0	109.2	V566 P622	V566-E568 WeakPolarHBondContact CG1-O 3.41Å; E568-P622 WeakPolarHBondContact OE2-CB 3.17Å; E568-P622 WeakPolarHBondContact OE2-CG 3.09Å
569	P	86.8	Confident	87.4	Confident	48 Å²	48	46.9 Å²	46.9	31%	0.312	26%	0.26	S	S	.	.			trans	-72.9	144	178.6	31.1	-34.7	0	0	0	110.7	F508 T571	F508-P569 HydrophobicContact CB-CB 4.1Å; F508-P569 HydrophobicContact CB-CG 4.07Å; F508-P569 HydrophobicContact CD1-CB 4.21Å; F508-P569 HydrophobicContact CD2-CB 3.31Å; F508-P569 HydrophobicContact CD2-CG 4.21Å; F508-P569 HydrophobicContact CE2-CB 3.64Å; F508-P569 HydrophobicContact CG-CB 3.61Å; F508-P569 HydrophobicContact CG-CG 4.06Å; F508-P569 HydrophobicContact CZ-CB 4.23Å; P569-T571 PolarHBondContact O-N 2.91Å
570	P	85.6	Confident	86.8	Confident	10 Å²	10	51.6 Å²	51.6	7%	0.065	29%	0.289	C	S	.	.			trans	-65.9	129	177.9	27.8	-33.7	0	0	0	110.4	P511 L616 F618	P511-P570 WeakPolarHBondContact CD-O 3.39Å; P511-P570 WeakPolarHBondContact CG-O 3.18Å; P570-L616 HydrophobicContact CG-CD2 4.36Å; P570-F618 HydrophobicContact CG-CD1 3.88Å; P570-F618 HydrophobicContact CG-CE1 3.76Å; P570-F618 HydrophobicContact CG-CZ 4.36Å
571	T	85.6	Confident	86.5	Confident	86 Å²	86	53.1 Å²	53.1	53%	0.528	31%	0.308	S	S	.	.			trans	-99.8	-13.7	174.4	55.7	0	0	0	0	112.7	P451 P569	P451-T571 VanDerWaalsContact CB-O 3.28Å; P451-T571 WeakPolarHBondContact CB-O 3.19Å; P569-T571 PolarHBondContact O-N 2.91Å
572	D	88.3	Confident	86.2	Confident	57 Å²	57	53.4 Å²	53.4	31%	0.305	31%	0.309	S	S	.	.	S	Bend	trans	-104.5	165.5	172.7	64.2	-28	0	0	0	110.8	R620	D572-R620 IonicContact OD1-CZ 3.34Å; D572-R620 IonicContact OD1-NH1 3.21Å; D572-R620 PolarHBondContact OD1-NH1 3.4Å; D572-R620 IonicContact OD1-NH2 2.65Å; D572-R620 PolarHBondContact OD1-NH2 3.12Å; D572-R620 IonicContact OD2-CZ 3.57Å; D572-R620 IonicContact OD2-NH1 2.7Å; D572-R620 PolarHBondContact OD2-NH1 2.66Å; D572-R620 IonicContact OD2-NH2 3.59Å
573	I	91.2	Very high	86	Confident	12 Å²	12	52.7 Å²	52.7	6%	0.062	31%	0.306	C	S	.	.			trans	-126.7	155.2	-178.6	58.9	158.4	0	0	0	110.8	A448 E450 P451 P511 P575 P615 L616	A448-I573 HydrophobicContact CB-CD1 3.24Å; E450-I573 WeakPolarHBondContact O-CD1 3.23Å; P451-I573 HydrophobicContact CB-CG1 4.39Å; P451-I573 HydrophobicContact CB-CG2 4.15Å; P511-I573 HydrophobicContact CB-CG2 4.5Å; P511-I573 HydrophobicContact CG-CG2 3.94Å; I573-P575 WeakPolarHBondContact O-CD 3.17Å; I573-P615 WeakPolarHBondContact CA-O 3Å; I573-P615 HydrophobicContact CB-CB 4.33Å; I573-P615 HydrophobicContact CB-CG 4.46Å; I573-L616 HydrophobicContact CG2-CD2 4.47Å
574	T	90.6	Very high	86.2	Confident	4 Å²	4	54 Å²	54	3%	0.025	31%	0.308	C	S	.	.			trans	-81.7	117.3	170	-59.5	0	0	0	0	108.9	T576 P615 S628 R630 R631	T574-T576 PolarHBondContact O-N 3.03Å; T574-T576 PolarHBondContact O-OG1 2.92Å; T574-P615 PolarHBondContact N-O 3.41Å; T574-P615 WeakPolarHBondContact O-CB 3.39Å; T574-S628 PolarHBondContact N-OG 3.29Å; T574-S628 VanDerWaalsContact OG1-C 3.25Å; T574-S628 WeakPolarHBondContact OG1-CB 3.32Å; T574-S628 PolarHBondContact OG1-O 3.31Å; T574-S628 PolarHBondContact OG1-OG 3Å; T574-R630 WeakPolarHBondContact CB-O 3.38Å; T574-R630 PolarHBondContact OG1-O 3.43Å; T574-R631 HydrophobicContact CG2-CG 4.32Å
575	P	89.1	Confident	86.6	Confident	71 Å²	71	52 Å²	52	46%	0.461	29%	0.293	S	S	.	.			trans	-51	119.3	176.3	-28.1	36.1	0	0	0	110.8	A448 I573 R631	A448-P575 WeakPolarHBondContact O-CA 3.39Å; I573-P575 WeakPolarHBondContact O-CD 3.17Å; P575-R631 PolarHBondContact O-NH2 3.43Å
576	T	85.6	Confident	87.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-137.6	126.9	-172	-59.3	0	0	0	0	109.7	V445 C447 A448 T574 V582 R631	V445-T576 HydrophobicContact CG1-CG2 3.81Å; C447-T576 CarbonylContact C-O 3.35Å; C447-T576 WeakPolarHBondContact CA-O 3.28Å; C447-T576 WeakPolarHBondContact CB-O 3.49Å; A448-T576 PolarHBondContact N-O 2.75Å; A448-T576 PolarHBondContact O-N 2.82Å; T574-T576 PolarHBondContact O-N 3.03Å; T574-T576 PolarHBondContact O-OG1 2.92Å; T576-V582 HydrophobicContact CG2-CG1 3.8Å; T576-V582 HydrophobicContact CG2-CG2 4.29Å; T576-R631 PolarHBondContact OG1-NE 3.12Å; T576-R631 PolarHBondContact OG1-NH2 3.34Å
577	F	88.3	Confident	87.7	Confident	88 Å²	88	51.7 Å²	51.7	39%	0.386	29%	0.289	S	S	.	.			trans	-134.8	171	178.2	-58.3	-80.1	0	0	0	109.2	E449 T579	E449-F577 HydrophobicContact CB-CZ 4Å; E449-F577 HydrophobicContact CG-CZ 4.27Å; F577-T579 HydrophobicContact CB-CG2 4.29Å; F577-T579 PolarHBondContact O-N 3.33Å
578	L	85	Confident	88.4	Confident	30 Å²	30	45.9 Å²	45.9	16%	0.157	26%	0.264	C	S	.	.	S	Bend	trans	-73	66.9	176	-60.1	178	0	0	0	111.9	F271 C300 V445 L583	F271-L578 HydrophobicContact CE1-CB 4.28Å; F271-L578 HydrophobicContact CE1-CD1 4.13Å; F271-L578 HydrophobicContact CE1-CD2 4.34Å; F271-L578 HydrophobicContact CE1-CG 4.49Å; F271-L578 HydrophobicContact CZ-CD1 4.15Å; C300-L578 PolarHBondContact SG-O 3.22Å; C300-L578 VanDerWaalsContact SG-O 3.38Å; V445-L578 HydrophobicContact CB-CD2 3.91Å; V445-L578 HydrophobicContact CG1-CD2 4.32Å; V445-L578 HydrophobicContact CG2-CD2 4.24Å; L578-L583 HydrophobicContact CD2-CD2 4.41Å
579	T	86.3	Confident	88.9	Confident	62 Å²	62	40.2 Å²	40.2	38%	0.38	24%	0.238	S	C	.	.			trans	-98.8	156.2	175.3	64.7	0	0	0	0	111.2	F577 G581 V582 L583	F577-T579 HydrophobicContact CB-CG2 4.29Å; F577-T579 PolarHBondContact O-N 3.33Å; T579-G581 PolarHBondContact O-N 3.46Å; T579-V582 PolarHBondContact O-N 2.89Å; T579-V582 VanDerWaalsContact O-N 3.16Å; T579-V582 VanDerWaalsContact OG1-CG2 3.29Å; T579-V582 WeakPolarHBondContact OG1-CG2 3.39Å; T579-L583 WeakPolarHBondContact O-CG 3.39Å; T579-L583 PolarHBondContact O-N 3.23Å
580	T	84.5	Confident	89.2	Confident	98 Å²	98	38 Å²	38	60%	0.601	22%	0.224	S	C	*	.	H	α-helix	trans	-56.6	-37.6	-179.4	52.4	0	0	0	0	112.8	F298 S584	F298-T580 HydrophobicContact CE1-CG2 3.84Å; F298-T580 HydrophobicContact CZ-CG2 3.79Å; T580-S584 VanDerWaalsContact O-CB 3.27Å; T580-S584 WeakPolarHBondContact O-CB 3.31Å; T580-S584 PolarHBondContact O-N 2.98Å
581	G	88.1	Confident	89.6	Confident	41 Å²	41	41.8 Å²	41.8	42%	0.423	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-48.4	176	0	0	0	0	0	112.8	T579 S584 T585	T579-G581 PolarHBondContact O-N 3.46Å; G581-S584 WeakPolarHBondContact O-CB 3.11Å; G581-S584 PolarHBondContact O-N 3.12Å; G581-T585 PolarHBondContact O-N 3Å; G581-T585 PolarHBondContact O-OG1 2.92Å
582	V	88.4	Confident	90	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.036	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-44.8	178.8	174.6	0	0	0	0	110.9	V445 T576 T579 S584 T585 L586 L613	V445-V582 HydrophobicContact CG1-CG1 3.76Å; V445-V582 HydrophobicContact CG2-CG1 4.41Å; T576-V582 HydrophobicContact CG2-CG1 3.8Å; T576-V582 HydrophobicContact CG2-CG2 4.29Å; T579-V582 PolarHBondContact O-N 2.89Å; T579-V582 VanDerWaalsContact O-N 3.16Å; T579-V582 VanDerWaalsContact OG1-CG2 3.29Å; T579-V582 WeakPolarHBondContact OG1-CG2 3.39Å; V582-S584 VanDerWaalsContact C-N 3.32Å; V582-S584 PolarHBondContact O-N 2.84Å; V582-T585 PolarHBondContact O-N 2.79Å; V582-L586 PolarHBondContact O-N 2.81Å; V582-L613 HydrophobicContact CG1-CD2 3.57Å
583	L	87.8	Confident	90.2	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-37.7	175.6	-67.5	174.4	0	0	0	111.9	F271 F298 L441 V445 L578 T579 L586 R587	F271-L583 HydrophobicContact CD1-CD1 3.85Å; F271-L583 HydrophobicContact CD1-CD2 3.82Å; F271-L583 HydrophobicContact CE1-CD1 3.68Å; F271-L583 HydrophobicContact CE1-CD2 4.05Å; F271-L583 HydrophobicContact CE1-CG 4.48Å; F298-L583 HydrophobicContact CZ-CD1 4.3Å; L441-L583 HydrophobicContact CB-CD2 4.36Å; V445-L583 HydrophobicContact CG2-CD2 4.29Å; L578-L583 HydrophobicContact CD2-CD2 4.41Å; T579-L583 WeakPolarHBondContact O-CG 3.39Å; T579-L583 PolarHBondContact O-N 3.23Å; L583-L586 PolarHBondContact O-N 3.2Å; L583-R587 VanDerWaalsContact O-CB 3.24Å; L583-R587 WeakPolarHBondContact O-CB 3.41Å; L583-R587 WeakPolarHBondContact O-CD 3.19Å; L583-R587 WeakPolarHBondContact O-CG 3.45Å; L583-R587 PolarHBondContact O-N 3.25Å
584	S	90.4	Very high	90.2	Very high	75 Å²	75	36.8 Å²	36.8	52%	0.524	21%	0.209	S	C	.	.	H	α-helix	trans	-62.7	-44.1	175.7	-172.5	0	0	0	0	111.7	T580 G581 V582 R587 Q588	T580-S584 VanDerWaalsContact O-CB 3.27Å; T580-S584 WeakPolarHBondContact O-CB 3.31Å; T580-S584 PolarHBondContact O-N 2.98Å; G581-S584 WeakPolarHBondContact O-CB 3.11Å; G581-S584 PolarHBondContact O-N 3.12Å; V582-S584 VanDerWaalsContact C-N 3.32Å; V582-S584 PolarHBondContact O-N 2.84Å; S584-R587 PolarHBondContact O-N 2.83Å; S584-Q588 WeakPolarHBondContact O-CB 3.26Å; S584-Q588 PolarHBondContact O-N 3.4Å
585	T	92.8	Very high	90.3	Very high	35 Å²	35	38.1 Å²	38.1	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-48.1	174.9	-56.8	0	0	0	0	111.3	G581 V582 Q588 A589 I670 I673	G581-T585 PolarHBondContact O-N 3Å; G581-T585 PolarHBondContact O-OG1 2.92Å; V582-T585 PolarHBondContact O-N 2.79Å; T585-Q588 PolarHBondContact O-N 2.91Å; T585-A589 PolarHBondContact O-N 3.22Å; T585-I670 HydrophobicContact CG2-CG2 4.11Å; T585-I673 HydrophobicContact CG2-CD1 3.71Å; T585-I673 HydrophobicContact CG2-CG1 4.45Å
586	L	93.3	Very high	90.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.3	-43.5	178.7	176.9	57.5	0	0	0	111.8	L441 R444 V445 V582 L583 Q588 A589 D590 I611 L613	L441-L586 HydrophobicContact CB-CD2 4.18Å; L441-L586 HydrophobicContact CD2-CD2 4.03Å; L441-L586 HydrophobicContact CD2-CG 4.22Å; R444-L586 HydrophobicContact CB-CD2 3.93Å; R444-L586 WeakPolarHBondContact O-CD2 3.48Å; V445-L586 HydrophobicContact CG2-CD2 3.39Å; V582-L586 PolarHBondContact O-N 2.81Å; L583-L586 PolarHBondContact O-N 3.2Å; L586-Q588 VanDerWaalsContact C-N 3.25Å; L586-Q588 PolarHBondContact O-N 3.33Å; L586-A589 PolarHBondContact O-N 3.38Å; L586-D590 VanDerWaalsContact O-CB 3.31Å; L586-D590 WeakPolarHBondContact O-CB 3.38Å; L586-D590 PolarHBondContact O-N 3.37Å; L586-I611 HydrophobicContact CD1-CG2 4.09Å; L586-I611 WeakPolarHBondContact CD1-O 3.45Å; L586-L613 HydrophobicContact CB-CB 4.36Å; L586-L613 HydrophobicContact CB-CD2 4.3Å; L586-L613 HydrophobicContact CD1-CB 4.15Å; L586-L613 HydrophobicContact CD2-CB 4.46Å
587	R	91.8	Very high	90.7	Very high	58 Å²	58	35.3 Å²	35.3	22%	0.219	20%	0.2	C	C	.	.	H	α-helix	trans	-57.3	-38.9	175.5	-80	169.2	163.5	165.3	-3.4	112.5	G270 M272 L441 L583 S584 F591	G270-R587 PolarHBondContact O-NH2 2.87Å; M272-R587 PolarHBondContact O-NE 3.21Å; M272-R587 PolarHBondContact O-NH2 3Å; M272-R587 VanDerWaalsContact O-NH2 3.11Å; L441-R587 HydrophobicContact CD1-CG 3.36Å; L583-R587 VanDerWaalsContact O-CB 3.24Å; L583-R587 WeakPolarHBondContact O-CB 3.41Å; L583-R587 WeakPolarHBondContact O-CD 3.19Å; L583-R587 WeakPolarHBondContact O-CG 3.45Å; L583-R587 PolarHBondContact O-N 3.25Å; S584-R587 PolarHBondContact O-N 2.83Å; R587-F591 WeakPolarHBondContact O-CB 3.29Å; R587-F591 PolarHBondContact O-N 3.09Å
588	Q	93.8	Very high	90.7	Very high	62 Å²	62	37 Å²	37	29%	0.29	20%	0.204	S	C	.	.	H	α-helix	trans	-70.3	-43.6	177.2	-174.9	60.1	27.5	0	0	111.3	S584 T585 L586 F591 V592 I670	S584-Q588 WeakPolarHBondContact O-CB 3.26Å; S584-Q588 PolarHBondContact O-N 3.4Å; T585-Q588 PolarHBondContact O-N 2.91Å; L586-Q588 VanDerWaalsContact C-N 3.25Å; L586-Q588 PolarHBondContact O-N 3.33Å; Q588-F591 PolarHBondContact O-N 3.26Å; Q588-V592 VanDerWaalsContact O-CG2 3.3Å; Q588-V592 WeakPolarHBondContact O-CG2 3.25Å; Q588-V592 PolarHBondContact O-N 3.47Å; Q588-I670 HydrophobicContact CB-CD1 4.45Å; Q588-I670 HydrophobicContact CG-CD1 4.02Å; Q588-I670 HydrophobicContact CG-CG1 4.31Å
589	A	94	Very high	90.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-45.5	177.1	0	0	0	0	0	111.9	T585 L586 V592 A593 I611 V633 I667 I670	T585-A589 PolarHBondContact O-N 3.22Å; L586-A589 PolarHBondContact O-N 3.38Å; A589-V592 PolarHBondContact O-N 2.98Å; A589-A593 WeakPolarHBondContact O-CB 3.4Å; A589-A593 PolarHBondContact O-N 2.95Å; A589-I611 HydrophobicContact CB-CG2 4.3Å; A589-V633 HydrophobicContact CB-CG1 4.39Å; A589-V633 HydrophobicContact CB-CG2 4.21Å; A589-I667 HydrophobicContact CB-CG2 4.32Å; A589-I670 VanDerWaalsContact CA-CD1 3.49Å; A589-I670 HydrophobicContact CB-CD1 3.83Å
590	D	93.4	Very high	91	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-45.5	176.7	-178.6	83.7	0	0	0	111.8	R273 R444 L586 A593 H594 I611	R273-D590 WeakPolarHBondContact CD-OD2 3.36Å; R273-D590 WeakPolarHBondContact CG-OD2 3.4Å; R444-D590 IonicContact NH1-OD1 3.45Å; L586-D590 VanDerWaalsContact O-CB 3.31Å; L586-D590 WeakPolarHBondContact O-CB 3.38Å; L586-D590 PolarHBondContact O-N 3.37Å; D590-A593 PolarHBondContact O-N 2.94Å; D590-H594 WeakPolarHBondContact O-CB 3.16Å; D590-H594 PolarHBondContact O-N 2.82Å; D590-H594 PolarHBondContact O-ND1 3.1Å; D590-H594 IonicContact OD1-CE1 3.97Å; D590-H594 PolarHBondContact OD1-CE1 3.28Å; D590-H594 IonicContact OD1-ND1 3.25Å; D590-H594 PolarHBondContact OD1-ND1 2.95Å; D590-H594 IonicContact OD2-CE1 3.88Å; D590-H594 IonicContact OD2-ND1 3.84Å; D590-I611 HydrophobicContact CB-CB 4.22Å; D590-I611 HydrophobicContact CB-CG1 4.47Å
591	F	92.5	Very high	91.1	Very high	88 Å²	88	39.5 Å²	39.5	39%	0.386	22%	0.224	S	C	.	.	H	α-helix	trans	-60.7	-48.1	177.5	177.7	-99.4	0	0	0	112.3	K274 R587 Q588 S595	K274-F591 HydrophobicContact CB-CB 4.17Å; K274-F591 HydrophobicContact CB-CD2 4.24Å; K274-F591 HydrophobicContact CB-CG 4.41Å; K274-F591 HydrophobicContact CD-CB 4.25Å; K274-F591 HydrophobicContact CD-CD2 4.46Å; K274-F591 HydrophobicContact CD-CG 4.15Å; R587-F591 WeakPolarHBondContact O-CB 3.29Å; R587-F591 PolarHBondContact O-N 3.09Å; Q588-F591 PolarHBondContact O-N 3.26Å; F591-S595 VanDerWaalsContact O-CB 3.3Å; F591-S595 WeakPolarHBondContact O-CB 3.34Å; F591-S595 PolarHBondContact O-N 3.46Å; F591-S595 PolarHBondContact O-OG 3.27Å
592	V	94.1	Very high	91	Very high	25 Å²	25	41 Å²	41	15%	0.152	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-47.4	179	169.5	0	0	0	0	111	Q588 A589 S595 I596 E666 I667	Q588-V592 VanDerWaalsContact O-CG2 3.3Å; Q588-V592 WeakPolarHBondContact O-CG2 3.25Å; Q588-V592 PolarHBondContact O-N 3.47Å; A589-V592 PolarHBondContact O-N 2.98Å; V592-S595 PolarHBondContact O-N 3.04Å; V592-I596 HydrophobicContact CG1-CD1 3.86Å; V592-I596 WeakPolarHBondContact O-CG1 3.21Å; V592-I596 PolarHBondContact O-N 3.19Å; V592-I596 VanDerWaalsContact O-N 3.1Å; V592-E666 HydrophobicContact CG1-CB 3.48Å; V592-E666 VanDerWaalsContact CG1-CB 3.48Å; V592-E666 HydrophobicContact CG1-CG 4.47Å; V592-I667 HydrophobicContact CG1-CG1 4.43Å
593	A	93.5	Very high	90.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-49.6	179.7	0	0	0	0	0	112	A589 D590 S595 I596 L597 M609 I611 M663 I667	A589-A593 WeakPolarHBondContact O-CB 3.4Å; A589-A593 PolarHBondContact O-N 2.95Å; D590-A593 PolarHBondContact O-N 2.94Å; A593-S595 VanDerWaalsContact C-N 3.33Å; A593-S595 PolarHBondContact O-N 3.38Å; A593-I596 PolarHBondContact O-N 2.77Å; A593-L597 PolarHBondContact O-N 2.87Å; A593-M609 HydrophobicContact CB-CE 3.9Å; A593-I611 HydrophobicContact CB-CD1 3.67Å; A593-I611 HydrophobicContact CB-CG1 3.87Å; A593-M663 WeakPolarHBondContact O-CE 3.36Å; A593-I667 HydrophobicContact CB-CD1 4.15Å
594	H	91.4	Very high	90.3	Very high	25 Å²	25	46.1 Å²	46.1	12%	0.116	27%	0.266	C	S	.	.	H	α-helix	trans	-68.4	-30.9	-179.6	-76	85.7	0	0	0	113	D590 L597 R598 M609	D590-H594 WeakPolarHBondContact O-CB 3.16Å; D590-H594 PolarHBondContact O-N 2.82Å; D590-H594 PolarHBondContact O-ND1 3.1Å; D590-H594 IonicContact OD1-CE1 3.97Å; D590-H594 PolarHBondContact OD1-CE1 3.28Å; D590-H594 IonicContact OD1-ND1 3.25Å; D590-H594 PolarHBondContact OD1-ND1 2.95Å; D590-H594 IonicContact OD2-CE1 3.88Å; D590-H594 IonicContact OD2-ND1 3.84Å; H594-L597 PolarHBondContact O-N 3.44Å; H594-R598 WeakPolarHBondContact O-CB 3.35Å; H594-R598 PolarHBondContact O-N 2.97Å; H594-M609 PolarHBondContact CE1-O 2.82Å; H594-M609 PolarHBondContact NE2-O 2.67Å
595	S	91.3	Very high	90	Very high	32 Å²	32	48.5 Å²	48.5	22%	0.224	27%	0.267	C	S	.	.	H	α-helix	trans	-67.1	-45.4	176.7	-57.4	0	0	0	0	110.7	F591 V592 A593 L597 R598 E599	F591-S595 VanDerWaalsContact O-CB 3.3Å; F591-S595 WeakPolarHBondContact O-CB 3.34Å; F591-S595 PolarHBondContact O-N 3.46Å; F591-S595 PolarHBondContact O-OG 3.27Å; V592-S595 PolarHBondContact O-N 3.04Å; A593-S595 VanDerWaalsContact C-N 3.33Å; A593-S595 PolarHBondContact O-N 3.38Å; S595-L597 VanDerWaalsContact C-N 3.34Å; S595-L597 PolarHBondContact O-N 2.81Å; S595-R598 PolarHBondContact O-N 3.29Å; S595-E599 WeakPolarHBondContact O-CG 3.31Å; S595-E599 PolarHBondContact O-N 3.34Å
596	I	93.1	Very high	89.8	Confident	12 Å²	12	47 Å²	47	6%	0.062	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-43	175.4	-67.3	164.5	0	0	0	110.9	V592 A593 R598 S600 V659 K662 M663 E666	V592-I596 HydrophobicContact CG1-CD1 3.86Å; V592-I596 WeakPolarHBondContact O-CG1 3.21Å; V592-I596 PolarHBondContact O-N 3.19Å; V592-I596 VanDerWaalsContact O-N 3.1Å; A593-I596 PolarHBondContact O-N 2.77Å; I596-R598 VanDerWaalsContact C-N 3.31Å; I596-R598 PolarHBondContact O-N 2.77Å; I596-S600 WeakPolarHBondContact O-CB 3.21Å; I596-S600 PolarHBondContact O-N 2.97Å; I596-S600 VanDerWaalsContact O-N 3.09Å; I596-S600 PolarHBondContact O-OG 2.89Å; I596-V659 HydrophobicContact CG2-CG1 4.04Å; I596-K662 HydrophobicContact CD1-CG 4.25Å; I596-K662 HydrophobicContact CG2-CB 4.34Å; I596-K662 HydrophobicContact CG2-CD 4.06Å; I596-K662 HydrophobicContact CG2-CG 4.29Å; I596-M663 HydrophobicContact CB-CE 4.41Å; I596-M663 HydrophobicContact CB-CG 4.01Å; I596-M663 HydrophobicContact CD1-CB 4.45Å; I596-M663 HydrophobicContact CD1-CG 4.11Å; I596-M663 HydrophobicContact CG2-CE 4.15Å; I596-M663 HydrophobicContact CG2-CG 3.73Å; I596-E666 HydrophobicContact CD1-CB 4.02Å; I596-E666 HydrophobicContact CD1-CG 3.94Å
597	L	90.6	Very high	89.4	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-40.8	177	-172.6	61.4	0	0	0	111.7	A593 H594 S595 S600 G601 I606 M609 I655 M663	A593-L597 PolarHBondContact O-N 2.87Å; H594-L597 PolarHBondContact O-N 3.44Å; S595-L597 VanDerWaalsContact C-N 3.34Å; S595-L597 PolarHBondContact O-N 2.81Å; L597-S600 PolarHBondContact O-OG 3.34Å; L597-G601 PolarHBondContact O-N 3.45Å; L597-I606 HydrophobicContact CD1-CD1 4.05Å; L597-I606 HydrophobicContact CD2-CD1 4.35Å; L597-M609 HydrophobicContact CB-CE 4.2Å; L597-M609 HydrophobicContact CD2-CB 4.46Å; L597-M609 HydrophobicContact CD2-CE 3.86Å; L597-M609 HydrophobicContact CD2-SD 3.89Å; L597-I655 HydrophobicContact CD1-CD1 3.8Å; L597-M663 HydrophobicContact CB-CE 3.6Å; L597-M663 HydrophobicContact CD1-CE 4.06Å; L597-M663 HydrophobicContact CG-CE 4.35Å
598	R	87.8	Confident	89.3	Confident	124 Å²	124	46.3 Å²	46.3	47%	0.468	26%	0.26	S	S	.	.	H	α-helix	trans	-68	-48.4	179.4	-169	-175.1	-56.1	-160.8	1.5	112	E428 H594 S595 I596 S600 G601	E428-R598 IonicContact OE2-NH1 3.21Å; E428-R598 PolarHBondContact OE2-NH1 2.92Å; H594-R598 WeakPolarHBondContact O-CB 3.35Å; H594-R598 PolarHBondContact O-N 2.97Å; S595-R598 PolarHBondContact O-N 3.29Å; I596-R598 VanDerWaalsContact C-N 3.31Å; I596-R598 PolarHBondContact O-N 2.77Å; R598-S600 PolarHBondContact O-N 2.99Å; R598-G601 PolarHBondContact O-N 3.5Å
599	E	89.7	Confident	89.2	Confident	143 Å²	143	43.4 Å²	43.4	67%	0.668	25%	0.247	S	C	*	.	H	α-helix	trans	-58.9	-33.1	177.5	-73.7	171.3	-167.5	0	0	112.3	S595 G601 K662	S595-E599 WeakPolarHBondContact O-CG 3.31Å; S595-E599 PolarHBondContact O-N 3.34Å; E599-G601 VanDerWaalsContact C-N 3.29Å; E599-G601 PolarHBondContact O-N 3.36Å; E599-K662 IonicContact OE2-NZ 3.2Å
600	S	88.3	Confident	89.1	Confident	36 Å²	36	43.4 Å²	43.4	25%	0.252	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-12.8	178.3	73.4	0	0	0	0	114.3	I596 L597 R598 Y602	I596-S600 WeakPolarHBondContact O-CB 3.21Å; I596-S600 PolarHBondContact O-N 2.97Å; I596-S600 VanDerWaalsContact O-N 3.09Å; I596-S600 PolarHBondContact O-OG 2.89Å; L597-S600 PolarHBondContact O-OG 3.34Å; R598-S600 PolarHBondContact O-N 2.99Å; S600-Y602 VanDerWaalsContact C-N 3.25Å; S600-Y602 WeakPolarHBondContact O-CD2 3.49Å; S600-Y602 WeakPolarHBondContact O-CE2 3.3Å; S600-Y602 PolarHBondContact O-N 3.46Å
601	G	86.3	Confident	89.2	Confident	62 Å²	62	43.2 Å²	43.2	64%	0.639	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	1	-176.7	0	0	0	0	0	115.3	L597 R598 E599 S603	L597-G601 PolarHBondContact O-N 3.45Å; R598-G601 PolarHBondContact O-N 3.5Å; E599-G601 VanDerWaalsContact C-N 3.29Å; E599-G601 PolarHBondContact O-N 3.36Å; G601-S603 VanDerWaalsContact C-N 3.34Å; G601-S603 PolarHBondContact O-N 2.97Å
602	Y	86.5	Confident	89.3	Confident	72 Å²	72	39 Å²	39	28%	0.282	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-87.5	2.2	-178	-71.6	-92.2	0	0	0	114.3	S600 G604 K605 P656	S600-Y602 VanDerWaalsContact C-N 3.25Å; S600-Y602 WeakPolarHBondContact O-CD2 3.49Å; S600-Y602 WeakPolarHBondContact O-CE2 3.3Å; S600-Y602 PolarHBondContact O-N 3.46Å; Y602-G604 PolarHBondContact O-N 2.87Å; Y602-G604 VanDerWaalsContact O-N 3.14Å; Y602-K605 HydrophobicContact CD1-CD 3.91Å; Y602-K605 HydrophobicContact CD1-CG 4.41Å; Y602-K605 HydrophobicContact CE1-CD 4.26Å; Y602-K605 PolarHBondContact O-N 2.94Å; Y602-P656 HydrophobicContact CD1-CG 4.48Å; Y602-P656 HydrophobicContact CD2-CG 4.12Å; Y602-P656 HydrophobicContact CE1-CG 3.88Å; Y602-P656 HydrophobicContact CE2-CG 3.48Å; Y602-P656 VanDerWaalsContact CE2-CG 3.48Å; Y602-P656 WeakPolarHBondContact OH-CG 3.33Å
603	S	81.1	Confident	89.3	Confident	36 Å²	36	37.9 Å²	37.9	25%	0.252	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-57.9	-29.2	179.6	-166.8	0	0	0	0	113.3	H433 G601	H433-S603 PolarHBondContact NE2-O 3.47Å; G601-S603 VanDerWaalsContact C-N 3.34Å; G601-S603 PolarHBondContact O-N 2.97Å
604	G	80.4	Confident	89.4	Confident	79 Å²	79	37.9 Å²	37.9	81%	0.814	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-79.3	-18.3	178.5	0	0	0	0	0	114.9	Y602	Y602-G604 PolarHBondContact O-N 2.87Å; Y602-G604 VanDerWaalsContact O-N 3.14Å
605	K	85.5	Confident	89.5	Confident	125 Å²	125	36.7 Å²	36.7	54%	0.543	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-19.8	-179.7	-66.7	-157	-174.4	-178	0	113.5	Y602	Y602-K605 HydrophobicContact CD1-CD 3.91Å; Y602-K605 HydrophobicContact CD1-CG 4.41Å; Y602-K605 HydrophobicContact CE1-CD 4.26Å; Y602-K605 PolarHBondContact O-N 2.94Å
606	I	88.3	Confident	89.6	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.026	20%	0.204	C	C	.	.			trans	-106.2	132.2	-179.7	-60.8	176	0	0	0	107.6	H433 L597 Q608 T637 F638 A649 I655	H433-I606 PolarHBondContact CD2-O 3.15Å; H433-I606 PolarHBondContact NE2-O 3.43Å; L597-I606 HydrophobicContact CD1-CD1 4.05Å; L597-I606 HydrophobicContact CD2-CD1 4.35Å; I606-Q608 VanDerWaalsContact CG2-O 3.23Å; I606-Q608 WeakPolarHBondContact CG2-O 3.48Å; I606-T637 HydrophobicContact CD1-CG2 3.94Å; I606-F638 WeakPolarHBondContact CG2-O 3.34Å; I606-A649 HydrophobicContact CD1-CB 4.38Å; I606-A649 HydrophobicContact CG1-CB 4.37Å; I606-I655 HydrophobicContact CD1-CD1 3.99Å
607	S	85.2	Confident	89.6	Confident	31 Å²	31	35.2 Å²	35.2	22%	0.217	20%	0.204	C	C	.	.	S	Bend	trans	-73.4	-40.3	179.3	-53.7	0	0	0	0	111.5	H433 F638 T640	H433-S607 PolarHBondContact CD2-O 3.26Å; H433-S607 VanDerWaalsContact CD2-O 3.27Å; S607-F638 WeakPolarHBondContact CB-O 3.38Å; S607-F638 PolarHBondContact N-O 3.42Å; S607-T640 PolarHBondContact OG-N 3.15Å; S607-T640 PolarHBondContact OG-O 3.04Å
608	Q	88.3	Confident	89.5	Confident	11 Å²	11	35.4 Å²	35.4	5%	0.051	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-154.3	145.5	176.7	-152.3	-177	-10.3	0	0	111.7	H433 P434 I606 P610 F638 T688 E689	H433-Q608 HydrophobicContact CB-CG 4.26Å; P434-Q608 WeakPolarHBondContact O-CG 3.32Å; P434-Q608 PolarHBondContact O-NE2 3.46Å; I606-Q608 VanDerWaalsContact CG2-O 3.23Å; I606-Q608 WeakPolarHBondContact CG2-O 3.48Å; Q608-P610 HydrophobicContact CG-CG 4.47Å; Q608-F638 PolarHBondContact N-O 3.08Å; Q608-F638 PolarHBondContact O-N 3.27Å; Q608-T688 HydrophobicContact CB-CG2 4.34Å; Q608-E689 PolarHBondContact NE2-OE1 3.07Å
609	M	92.3	Very high	89.4	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	21%	0.208	C	C	.	.			trans	-127.2	80	173.9	-170.4	179.5	68.2	0	0	113.2	A593 H594 L597 I611 V635 R636 T637 M663	A593-M609 HydrophobicContact CB-CE 3.9Å; H594-M609 PolarHBondContact CE1-O 2.82Å; H594-M609 PolarHBondContact NE2-O 2.67Å; L597-M609 HydrophobicContact CB-CE 4.2Å; L597-M609 HydrophobicContact CD2-CB 4.46Å; L597-M609 HydrophobicContact CD2-CE 3.86Å; L597-M609 HydrophobicContact CD2-SD 3.89Å; M609-I611 HydrophobicContact CE-CD1 4.24Å; M609-I611 HydrophobicContact CG-CD1 4.15Å; M609-I611 PolarHBondContact O-N 3.24Å; M609-I611 HydrophobicContact SD-CD1 4.42Å; M609-V635 HydrophobicContact CG-CG1 4.37Å; M609-V635 HydrophobicContact SD-CG1 4.13Å; M609-R636 CarbonylContact C-O 3.51Å; M609-R636 WeakPolarHBondContact CA-O 3.32Å; M609-T637 HydrophobicContact CG-CG2 4.24Å; M609-T637 HydrophobicContact SD-CG2 4.33Å; M609-M663 HydrophobicContact CE-CE 4.37Å; M609-M663 HydrophobicContact SD-CE 4.14Å; M609-M663 HydrophobicContact SD-SD 4.23Å
610	P	91.7	Very high	89.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.184	C	C	.	.			trans	-58.7	131.6	167.6	-26.4	35.4	0	0	0	112.7	Q608 I612 R636 T688 E689	Q608-P610 HydrophobicContact CG-CG 4.47Å; P610-I612 HydrophobicContact CB-CD1 3.91Å; P610-R636 HydrophobicContact CB-CB 4.25Å; P610-R636 VanDerWaalsContact CD-O 3.23Å; P610-R636 WeakPolarHBondContact CD-O 3.07Å; P610-R636 WeakPolarHBondContact O-CB 3.47Å; P610-R636 PolarHBondContact O-N 3.11Å; P610-T688 HydrophobicContact CG-CG2 4.33Å; P610-E689 WeakPolarHBondContact CB-OE2 3.31Å
611	I	95.1	Very high	88.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.8	168.5	-57.5	-57.9	0	0	0	106.8	L586 A589 D590 A593 M609 V633 V634 V635	L586-I611 HydrophobicContact CD1-CG2 4.09Å; L586-I611 WeakPolarHBondContact CD1-O 3.45Å; A589-I611 HydrophobicContact CB-CG2 4.3Å; D590-I611 HydrophobicContact CB-CB 4.22Å; D590-I611 HydrophobicContact CB-CG1 4.47Å; A593-I611 HydrophobicContact CB-CD1 3.67Å; A593-I611 HydrophobicContact CB-CG1 3.87Å; M609-I611 HydrophobicContact CE-CD1 4.24Å; M609-I611 HydrophobicContact CG-CD1 4.15Å; M609-I611 PolarHBondContact O-N 3.24Å; M609-I611 HydrophobicContact SD-CD1 4.42Å; I611-V633 HydrophobicContact CG2-CG1 3.53Å; I611-V634 WeakPolarHBondContact CA-O 3.48Å; I611-V635 HydrophobicContact CD1-CB 4.2Å; I611-V635 HydrophobicContact CD1-CG1 3.97Å; I611-V635 HydrophobicContact CD1-CG2 4.08Å
612	I	94.9	Very high	88.3	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.7	-171.1	-54.4	97.4	0	0	0	110	R444 I446 P610 T614 V633 V634 R636 W690	R444-I612 CarbonylContact O-C 3.57Å; R444-I612 VanDerWaalsContact O-CA 3.28Å; R444-I612 WeakPolarHBondContact O-CA 3.44Å; R444-I612 WeakPolarHBondContact O-CG2 3.46Å; I446-I612 HydrophobicContact CD1-CG2 4.34Å; I446-I612 HydrophobicContact CG1-CG2 4.07Å; P610-I612 HydrophobicContact CB-CD1 3.91Å; I612-T614 HydrophobicContact CG2-CG2 4.4Å; I612-V633 CarbonylContact O-C 3.47Å; I612-V633 VanDerWaalsContact O-CA 3.29Å; I612-V633 WeakPolarHBondContact O-CA 3.22Å; I612-V634 HydrophobicContact CB-CB 4.16Å; I612-V634 HydrophobicContact CD1-CB 4.24Å; I612-V634 HydrophobicContact CD1-CG1 4.43Å; I612-V634 PolarHBondContact N-O 2.82Å; I612-V634 PolarHBondContact O-N 3.42Å; I612-R636 HydrophobicContact CD1-CB 3.74Å; I612-W690 HydrophobicContact CD1-CD2 4.39Å; I612-W690 HydrophobicContact CD1-CG 4.02Å; I612-W690 HydrophobicContact CG1-CB 4.04Å; I612-W690 HydrophobicContact CG1-CD2 4.49Å; I612-W690 HydrophobicContact CG1-CG 4.01Å; I612-W690 HydrophobicContact CG2-CB 4.09Å; I612-W690 HydrophobicContact CG2-CD2 4.45Å; I612-W690 HydrophobicContact CG2-CE3 4.25Å; I612-W690 HydrophobicContact CG2-CG 4.41Å
613	L	95.1	Very high	87.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.6	172.5	-167.6	65.4	0	0	0	110.1	R444 I446 V582 L586 R631 V633 I673	R444-L613 PolarHBondContact O-N 2.76Å; I446-L613 PolarHBondContact N-O 2.79Å; V582-L613 HydrophobicContact CG1-CD2 3.57Å; L586-L613 HydrophobicContact CB-CB 4.36Å; L586-L613 HydrophobicContact CB-CD2 4.3Å; L586-L613 HydrophobicContact CD1-CB 4.15Å; L586-L613 HydrophobicContact CD2-CB 4.46Å; L613-R631 HydrophobicContact CD1-CB 3.73Å; L613-R631 HydrophobicContact CG-CB 4.12Å; L613-V633 HydrophobicContact CD1-CG2 3.91Å; L613-I673 HydrophobicContact CD1-CD1 3.89Å
614	T	95	Very high	87.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.8	-178.7	60.1	0	0	0	0	111.1	I446 I512 I612 L616 R631 S632 V634 M677 W690	I446-T614 HydrophobicContact CG1-CG2 4.06Å; I512-T614 HydrophobicContact CD1-CG2 4.1Å; I612-T614 HydrophobicContact CG2-CG2 4.4Å; T614-L616 PolarHBondContact O-N 2.66Å; T614-R631 CarbonylContact O-C 3.35Å; T614-R631 WeakPolarHBondContact O-CA 3.09Å; T614-R631 WeakPolarHBondContact O-CB 3.05Å; T614-S632 PolarHBondContact N-O 2.94Å; T614-S632 PolarHBondContact O-N 3.27Å; T614-S632 WeakPolarHBondContact OG1-CB 3.21Å; T614-S632 PolarHBondContact OG1-O 2.88Å; T614-V634 HydrophobicContact CG2-CG2 3.76Å; T614-M677 HydrophobicContact CG2-CE 4.02Å; T614-M677 WeakPolarHBondContact OG1-CE 3.4Å; T614-W690 HydrophobicContact CG2-CE3 4.45Å; T614-W690 HydrophobicContact CG2-CZ3 4.17Å
615	P	93.8	Very high	87.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.216	C	C	.	.			trans	-78.6	41.2	-176.6	33.3	-37.7	0	0	0	112.8	I446 A448 I512 I573 T574	I446-P615 HydrophobicContact CG2-CG 4.29Å; I446-P615 WeakPolarHBondContact O-CD 3.3Å; A448-P615 HydrophobicContact CB-CG 4.16Å; I512-P615 HydrophobicContact CG2-CG 3.94Å; I573-P615 WeakPolarHBondContact CA-O 3Å; I573-P615 HydrophobicContact CB-CB 4.33Å; I573-P615 HydrophobicContact CB-CG 4.46Å; T574-P615 PolarHBondContact N-O 3.41Å; T574-P615 WeakPolarHBondContact O-CB 3.39Å
616	L	93.1	Very high	87.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.209	C	C	.	.			trans	-112.2	126.8	-171.3	-62.9	171.4	0	0	0	111.9	L510 P511 I512 P570 I573 T614 F618 R631 S632 M677	L510-L616 HydrophobicContact CB-CD1 4.15Å; L510-L616 HydrophobicContact CD1-CD1 3.74Å; L510-L616 HydrophobicContact CD2-CD1 3.97Å; L510-L616 HydrophobicContact CG-CD1 4.17Å; P511-L616 HydrophobicContact CG-CD2 4.24Å; I512-L616 HydrophobicContact CD1-CD1 4.07Å; I512-L616 HydrophobicContact CG2-CD2 4.07Å; I512-L616 HydrophobicContact CG2-CG 4.29Å; P570-L616 HydrophobicContact CG-CD2 4.36Å; I573-L616 HydrophobicContact CG2-CD2 4.47Å; T614-L616 PolarHBondContact O-N 2.66Å; L616-F618 HydrophobicContact CB-CD2 4.36Å; L616-F618 HydrophobicContact CB-CE2 3.63Å; L616-F618 HydrophobicContact CB-CZ 4.01Å; L616-F618 HydrophobicContact CD1-CE2 4.27Å; L616-F618 HydrophobicContact CD1-CZ 4Å; L616-R631 CarbonylContact O-C 3.48Å; L616-S632 PolarHBondContact O-N 2.91Å; L616-S632 PolarHBondContact O-OG 3.35Å; L616-M677 HydrophobicContact CD1-CE 4.21Å
617	H	92.6	Very high	87.6	Confident	14 Å²	14	46.6 Å²	46.6	7%	0.065	24%	0.24	C	C	.	.			trans	-115.2	104.5	174.7	-169.1	-176.6	0	0	0	110.7	R620 S628 C629 R630	H617-R620 WeakPolarHBondContact ND1-CD 3.36Å; H617-R620 PolarHBondContact O-NE 2.94Å; H617-R620 VanDerWaalsContact O-NE 3.14Å; H617-R620 PolarHBondContact O-NH2 3.14Å; H617-S628 WeakPolarHBondContact CB-OG 3.19Å; H617-C629 PolarHBondContact ND1-N 3.41Å; H617-R630 HydrophobicContact CB-CB 4.34Å; H617-R630 WeakPolarHBondContact NE2-CD 3.35Å
618	F	89	Confident	87.7	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.018	24%	0.235	C	C	.	.			trans	-89	169.8	176.7	-59.1	-86.7	0	0	0	111.9	F508 L510 I561 V566 P570 L616 R620 S632 S674 R675 M677	F508-F618 HydrophobicContact CE2-CE1 4.26Å; L510-F618 HydrophobicContact CD2-CE1 3.93Å; L510-F618 HydrophobicContact CD2-CZ 3.81Å; I561-F618 HydrophobicContact CD1-CE1 3.98Å; I561-F618 HydrophobicContact CD1-CZ 4.01Å; V566-F618 HydrophobicContact CG1-CD1 4.46Å; V566-F618 HydrophobicContact CG2-CD1 4.29Å; P570-F618 HydrophobicContact CG-CD1 3.88Å; P570-F618 HydrophobicContact CG-CE1 3.76Å; P570-F618 HydrophobicContact CG-CZ 4.36Å; L616-F618 HydrophobicContact CB-CD2 4.36Å; L616-F618 HydrophobicContact CB-CE2 3.63Å; L616-F618 HydrophobicContact CB-CZ 4.01Å; L616-F618 HydrophobicContact CD1-CE2 4.27Å; L616-F618 HydrophobicContact CD1-CZ 4Å; F618-R620 PolarHBondContact O-N 3.37Å; F618-S632 VanDerWaalsContact CD2-OG 3.32Å; F618-S632 WeakPolarHBondContact CD2-OG 3.18Å; F618-S632 WeakPolarHBondContact CE2-OG 3.38Å; F618-S674 PolarHBondContact N-OG 3.11Å; F618-S674 PolarHBondContact O-OG 2.65Å; F618-R675 HydrophobicContact CB-CG 3.99Å; F618-R675 HydrophobicContact CD2-CB 3.88Å; F618-R675 HydrophobicContact CD2-CG 4.01Å; F618-R675 HydrophobicContact CE2-CB 4.41Å; F618-R675 HydrophobicContact CG-CG 4.24Å; F618-M677 HydrophobicContact CE2-SD 4.48Å; F618-M677 HydrophobicContact CZ-SD 4.43Å
619	D	85.2	Confident	87.7	Confident	100 Å²	100	49 Å²	49	54%	0.535	26%	0.258	S	S	.	.	S	Bend	trans	67.5	27.1	172.1	-53.8	-47.9	0	0	0	115.8	R675	D619-R675 VanDerWaalsContact CG-NH2 3.34Å; D619-R675 IonicContact OD1-CZ 3.96Å; D619-R675 IonicContact OD1-NE 3.9Å; D619-R675 IonicContact OD1-NH2 2.76Å; D619-R675 PolarHBondContact OD1-NH2 3.37Å; D619-R675 IonicContact OD2-CZ 3.32Å; D619-R675 IonicContact OD2-NE 3.74Å; D619-R675 PolarHBondContact OD2-NE 2.63Å; D619-R675 IonicContact OD2-NH2 3Å; D619-R675 PolarHBondContact OD2-NH2 2.86Å
620	R	84.1	Confident	87.7	Confident	45 Å²	45	55 Å²	55	17%	0.17	28%	0.28	C	S	.	.			trans	-87.1	143.6	171.3	-71.6	177.2	-73.5	151.6	2.4	110.8	D572 H617 F618 P622 Q626	D572-R620 IonicContact OD1-CZ 3.34Å; D572-R620 IonicContact OD1-NH1 3.21Å; D572-R620 PolarHBondContact OD1-NH1 3.4Å; D572-R620 IonicContact OD1-NH2 2.65Å; D572-R620 PolarHBondContact OD1-NH2 3.12Å; D572-R620 IonicContact OD2-CZ 3.57Å; D572-R620 IonicContact OD2-NH1 2.7Å; D572-R620 PolarHBondContact OD2-NH1 2.66Å; D572-R620 IonicContact OD2-NH2 3.59Å; H617-R620 WeakPolarHBondContact ND1-CD 3.36Å; H617-R620 PolarHBondContact O-NE 2.94Å; H617-R620 VanDerWaalsContact O-NE 3.14Å; H617-R620 PolarHBondContact O-NH2 3.14Å; F618-R620 PolarHBondContact O-N 3.37Å; R620-P622 WeakPolarHBondContact O-CD 3.46Å; R620-Q626 HydrophobicContact CG-CB 4.4Å; R620-Q626 PolarHBondContact NH1-O 3.49Å; R620-Q626 VanDerWaalsContact NH1-O 3.08Å
621	D	79.4	Confident	87.9	Confident	58 Å²	58	57.5 Å²	57.5	31%	0.31	29%	0.289	S	S	.	.			trans	-75.7	114	168.5	-175	-6.6	0	0	0	108.6	L623 Q624	D621-L623 PolarHBondContact O-N 3.34Å; D621-L623 WeakPolarHBondContact OD1-CB 3.42Å; D621-L623 PolarHBondContact OD1-N 3.1Å; D621-L623 VanDerWaalsContact OD1-N 3.08Å; D621-Q624 HydrophobicContact CB-CB 4.16Å; D621-Q624 HydrophobicContact CB-CG 3.92Å; D621-Q624 PolarHBondContact O-N 3.23Å; D621-Q624 VanDerWaalsContact O-N 3.08Å; D621-Q624 WeakPolarHBondContact OD2-CG 3.48Å; D621-Q624 PolarHBondContact OD2-NE2 3.25Å
622	P	77.3	Confident	87.9	Confident	66 Å²	66	57.5 Å²	57.5	43%	0.429	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-58.2	-29.8	-179.7	29.5	-41.9	0	0	0	112.2	E568 R620 Q624 K625	E568-P622 WeakPolarHBondContact OE2-CB 3.17Å; E568-P622 WeakPolarHBondContact OE2-CG 3.09Å; R620-P622 WeakPolarHBondContact O-CD 3.46Å; P622-Q624 VanDerWaalsContact C-N 3.28Å; P622-Q624 PolarHBondContact O-N 3.44Å; P622-K625 PolarHBondContact O-N 3.17Å
623	L	79.3	Confident	88	Confident	153 Å²	153	57.5 Å²	57.5	80%	0.801	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-71	-26.9	-178.9	-60.9	172.7	0	0	0	111.8	D621	D621-L623 PolarHBondContact O-N 3.34Å; D621-L623 WeakPolarHBondContact OD1-CB 3.42Å; D621-L623 PolarHBondContact OD1-N 3.1Å; D621-L623 VanDerWaalsContact OD1-N 3.08Å
624	Q	78.9	Confident	88.1	Confident	117 Å²	117	57.5 Å²	57.5	55%	0.547	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-87.5	-4	-177.2	-65.9	179.8	20.5	0	0	113.5	D621 P622 Q626	D621-Q624 HydrophobicContact CB-CB 4.16Å; D621-Q624 HydrophobicContact CB-CG 3.92Å; D621-Q624 PolarHBondContact O-N 3.23Å; D621-Q624 VanDerWaalsContact O-N 3.08Å; D621-Q624 WeakPolarHBondContact OD2-CG 3.48Å; D621-Q624 PolarHBondContact OD2-NE2 3.25Å; P622-Q624 VanDerWaalsContact C-N 3.28Å; P622-Q624 PolarHBondContact O-N 3.44Å; Q624-Q626 HydrophobicContact CB-CG 4Å; Q624-Q626 PolarHBondContact O-N 3.07Å
625	K	78.4	Confident	88.1	Confident	191 Å²	191	57.5 Å²	57.5	83%	0.83	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.6	39.6	179.4	-63.6	-174.7	178.8	-179.5	0	113.8	P622	P622-K625 PolarHBondContact O-N 3.17Å
626	Q	84.5	Confident	88.2	Confident	83 Å²	83	57.5 Å²	57.5	39%	0.388	29%	0.29	S	S	.	.			trans	-68.4	132.9	-179.9	-65.2	-177.1	2.2	0	0	110.8	R620 Q624	R620-Q626 HydrophobicContact CG-CB 4.4Å; R620-Q626 PolarHBondContact NH1-O 3.49Å; R620-Q626 VanDerWaalsContact NH1-O 3.08Å; Q624-Q626 HydrophobicContact CB-CG 4Å; Q624-Q626 PolarHBondContact O-N 3.07Å
627	P	86.6	Confident	88.2	Confident	105 Å²	105	57.6 Å²	57.6	68%	0.682	29%	0.29	S	S	*	.			trans	-67.5	149.1	179.8	28.1	-34.5	0	0	0	111.9	C629	P627-C629 PolarHBondContact O-N 3.01Å
628	S	88.1	Confident	88.1	Confident	14 Å²	14	56.9 Å²	56.9	10%	0.098	29%	0.287	C	S	.	.			trans	-74.4	105.6	175.3	-163.2	0	0	0	0	110.6	T574 H617	T574-S628 PolarHBondContact N-OG 3.29Å; T574-S628 VanDerWaalsContact OG1-C 3.25Å; T574-S628 WeakPolarHBondContact OG1-CB 3.32Å; T574-S628 PolarHBondContact OG1-O 3.31Å; T574-S628 PolarHBondContact OG1-OG 3Å; H617-S628 WeakPolarHBondContact CB-OG 3.19Å
629	C	88.1	Confident	88.1	Confident	79 Å²	79	58.6 Å²	58.6	53%	0.534	30%	0.296	S	S	.	.			trans	-120.9	-14.4	-178.8	62.9	0	0	0	0	114.6	H617 P627	H617-C629 PolarHBondContact ND1-N 3.41Å; P627-C629 PolarHBondContact O-N 3.01Å
630	R	92.3	Very high	87.8	Confident	127 Å²	127	54.6 Å²	54.6	48%	0.479	28%	0.275	S	S	.	.			trans	-100.8	163.8	179	-60.5	-172	-177.8	174.8	0.9	111.7	T574 H617 G672	T574-R630 WeakPolarHBondContact CB-O 3.38Å; T574-R630 PolarHBondContact OG1-O 3.43Å; H617-R630 HydrophobicContact CB-CB 4.34Å; H617-R630 WeakPolarHBondContact NE2-CD 3.35Å; R630-G672 WeakPolarHBondContact CA-O 3.44Å; R630-G672 WeakPolarHBondContact CB-O 3.13Å
631	R	94.8	Very high	87.2	Confident	51 Å²	51	56.8 Å²	56.8	19%	0.192	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	162.8	-179.2	-65.7	175.2	-179.1	84.7	5.4	109.5	T574 P575 T576 L613 T614 L616 G672 I673 S674	T574-R631 HydrophobicContact CG2-CG 4.32Å; P575-R631 PolarHBondContact O-NH2 3.43Å; T576-R631 PolarHBondContact OG1-NE 3.12Å; T576-R631 PolarHBondContact OG1-NH2 3.34Å; L613-R631 HydrophobicContact CD1-CB 3.73Å; L613-R631 HydrophobicContact CG-CB 4.12Å; T614-R631 CarbonylContact O-C 3.35Å; T614-R631 WeakPolarHBondContact O-CA 3.09Å; T614-R631 WeakPolarHBondContact O-CB 3.05Å; L616-R631 CarbonylContact O-C 3.48Å; R631-G672 PolarHBondContact N-O 2.96Å; R631-I673 CarbonylContact O-C 3.09Å; R631-I673 VanDerWaalsContact O-CA 3.28Å; R631-I673 WeakPolarHBondContact O-CA 3.36Å; R631-S674 PolarHBondContact O-N 3.08Å
632	S	95.6	Very high	86.4	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.7	178.9	-65.7	0	0	0	0	110.7	T614 L616 F618 R675	T614-S632 PolarHBondContact N-O 2.94Å; T614-S632 PolarHBondContact O-N 3.27Å; T614-S632 WeakPolarHBondContact OG1-CB 3.21Å; T614-S632 PolarHBondContact OG1-O 2.88Å; L616-S632 PolarHBondContact O-N 2.91Å; L616-S632 PolarHBondContact O-OG 3.35Å; F618-S632 VanDerWaalsContact CD2-OG 3.32Å; F618-S632 WeakPolarHBondContact CD2-OG 3.18Å; F618-S632 WeakPolarHBondContact CE2-OG 3.38Å; S632-R675 CarbonylContact C-O 3.52Å; S632-R675 WeakPolarHBondContact CA-O 3.28Å; S632-R675 VanDerWaalsContact CB-O 3.25Å; S632-R675 WeakPolarHBondContact CB-O 3.41Å; S632-R675 PolarHBondContact OG-N 3.29Å
633	V	97	Very high	85.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.7	-175.4	178	0	0	0	0	110	A589 I611 I612 L613 I667 I673 R675 V676 M677	A589-V633 HydrophobicContact CB-CG1 4.39Å; A589-V633 HydrophobicContact CB-CG2 4.21Å; I611-V633 HydrophobicContact CG2-CG1 3.53Å; I612-V633 CarbonylContact O-C 3.47Å; I612-V633 VanDerWaalsContact O-CA 3.29Å; I612-V633 WeakPolarHBondContact O-CA 3.22Å; L613-V633 HydrophobicContact CD1-CG2 3.91Å; V633-I667 HydrophobicContact CB-CG2 3.84Å; V633-I667 HydrophobicContact CG1-CG2 4.01Å; V633-I667 HydrophobicContact CG2-CG2 3.81Å; V633-I673 HydrophobicContact CG2-CD1 3.56Å; V633-I673 HydrophobicContact CG2-CG1 4.12Å; V633-I673 HydrophobicContact CG2-CG2 4.21Å; V633-R675 PolarHBondContact N-O 3.27Å; V633-V676 CarbonylContact O-C 3.58Å; V633-V676 VanDerWaalsContact O-CA 3.26Å; V633-V676 WeakPolarHBondContact O-CA 3.45Å; V633-M677 PolarHBondContact O-N 3.48Å
634	V	96.9	Very high	85.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.3	171.3	-173.2	0	0	0	0	108.9	V559 I611 I612 T614 M677 D679 W690	V559-V634 HydrophobicContact CG1-CG1 4.5Å; I611-V634 WeakPolarHBondContact CA-O 3.48Å; I612-V634 HydrophobicContact CB-CB 4.16Å; I612-V634 HydrophobicContact CD1-CB 4.24Å; I612-V634 HydrophobicContact CD1-CG1 4.43Å; I612-V634 PolarHBondContact N-O 2.82Å; I612-V634 PolarHBondContact O-N 3.42Å; T614-V634 HydrophobicContact CG2-CG2 3.76Å; V634-M677 CarbonylContact C-O 3.34Å; V634-M677 WeakPolarHBondContact CA-O 3.36Å; V634-M677 HydrophobicContact CB-CB 4.44Å; V634-M677 HydrophobicContact CG1-CB 4.4Å; V634-M677 HydrophobicContact CG2-CB 4.07Å; V634-M677 HydrophobicContact CG2-CE 3.49Å; V634-M677 VanDerWaalsContact CG2-CE 3.49Å; V634-M677 HydrophobicContact CG2-SD 4.36Å; V634-D679 HydrophobicContact CG1-CB 4.1Å; V634-W690 HydrophobicContact CB-CH2 4.44Å; V634-W690 HydrophobicContact CG1-CH2 4Å; V634-W690 HydrophobicContact CG1-CZ2 3.72Å; V634-W690 HydrophobicContact CG2-CE3 4.31Å; V634-W690 HydrophobicContact CG2-CH2 3.76Å; V634-W690 HydrophobicContact CG2-CZ2 4.3Å; V634-W690 HydrophobicContact CG2-CZ3 3.75Å
635	V	96.2	Very high	84.6	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	113.5	166.8	-177.2	0	0	0	0	107.4	M609 I611 T637 M663 I667 V676 M677 Y678 D679	M609-V635 HydrophobicContact CG-CG1 4.37Å; M609-V635 HydrophobicContact SD-CG1 4.13Å; I611-V635 HydrophobicContact CD1-CB 4.2Å; I611-V635 HydrophobicContact CD1-CG1 3.97Å; I611-V635 HydrophobicContact CD1-CG2 4.08Å; V635-T637 HydrophobicContact CG1-CG2 4.35Å; V635-M663 HydrophobicContact CG1-SD 4.44Å; V635-I667 HydrophobicContact CG2-CD1 4.07Å; V635-V676 HydrophobicContact CG2-CG1 4.01Å; V635-M677 PolarHBondContact N-O 3.4Å; V635-Y678 HydrophobicContact CB-CD2 4.19Å; V635-Y678 HydrophobicContact CG1-CD2 4.32Å; V635-Y678 HydrophobicContact CG1-CE2 4.19Å; V635-Y678 WeakPolarHBondContact O-CA 3.49Å; V635-D679 PolarHBondContact O-N 3.01Å
636	R	94.5	Very high	84.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.			trans	-111	109.6	177.3	-175.4	-80.3	-168.7	-86.9	-7.3	108.5	M609 P610 I612 F638 D679 T687 T688	M609-R636 CarbonylContact C-O 3.51Å; M609-R636 WeakPolarHBondContact CA-O 3.32Å; P610-R636 HydrophobicContact CB-CB 4.25Å; P610-R636 VanDerWaalsContact CD-O 3.23Å; P610-R636 WeakPolarHBondContact CD-O 3.07Å; P610-R636 WeakPolarHBondContact O-CB 3.47Å; P610-R636 PolarHBondContact O-N 3.11Å; I612-R636 HydrophobicContact CD1-CB 3.74Å; R636-F638 VanDerWaalsContact CZ-CB 3.43Å; R636-F638 VanDerWaalsContact CZ-CG 3.43Å; R636-D679 HydrophobicContact CB-CB 3.94Å; R636-D679 HydrophobicContact CG-CB 3.8Å; R636-D679 WeakPolarHBondContact CG-OD2 3.11Å; R636-T687 PolarHBondContact NH2-O 2.8Å; R636-T688 VanDerWaalsContact CD-O 3.3Å; R636-T688 WeakPolarHBondContact CD-O 3.29Å; R636-T688 PolarHBondContact NE-O 2.88Å
637	T	93.3	Very high	84.8	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	25%	0.246	C	C	.	.			trans	-95.3	135.3	173.3	55.6	0	0	0	0	109.3	I606 M609 V635 A648 A649 Y678	I606-T637 HydrophobicContact CD1-CG2 3.94Å; M609-T637 HydrophobicContact CG-CG2 4.24Å; M609-T637 HydrophobicContact SD-CG2 4.33Å; V635-T637 HydrophobicContact CG1-CG2 4.35Å; T637-A648 WeakPolarHBondContact O-CA 3.48Å; T637-A649 HydrophobicContact CG2-CB 4.35Å; T637-A649 VanDerWaalsContact OG1-CB 3.29Å; T637-A649 WeakPolarHBondContact OG1-CB 3.36Å; T637-A649 PolarHBondContact OG1-N 3Å; T637-A649 VanDerWaalsContact OG1-N 3.07Å; T637-Y678 HydrophobicContact CG2-CE2 4.08Å; T637-Y678 WeakPolarHBondContact CG2-OH 3.28Å; T637-Y678 PolarHBondContact OG1-OH 3.1Å
638	F	90.6	Very high	84.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-132.3	132.3	179.8	-162.3	-136	0	0	0	112.2	I606 S607 Q608 R636 T640 F643 G646 I647 K683 T688	I606-F638 WeakPolarHBondContact CG2-O 3.34Å; S607-F638 WeakPolarHBondContact CB-O 3.38Å; S607-F638 PolarHBondContact N-O 3.42Å; Q608-F638 PolarHBondContact N-O 3.08Å; Q608-F638 PolarHBondContact O-N 3.27Å; R636-F638 VanDerWaalsContact CZ-CB 3.43Å; R636-F638 VanDerWaalsContact CZ-CG 3.43Å; F638-T640 HydrophobicContact CD1-CG2 3.65Å; F638-T640 HydrophobicContact CE1-CG2 3.53Å; F638-T640 HydrophobicContact CZ-CG2 4.48Å; F638-F643 HydrophobicContact CE1-CD1 4.36Å; F638-G646 VanDerWaalsContact CE2-CA 3.43Å; F638-I647 WeakPolarHBondContact CD2-O 3.29Å; F638-K683 HydrophobicContact CE2-CB 3.98Å; F638-K683 HydrophobicContact CZ-CB 3.84Å; F638-K683 HydrophobicContact CZ-CD 4.18Å; F638-T688 HydrophobicContact CB-CG2 4.27Å; F638-T688 HydrophobicContact CD1-CG2 3.52Å; F638-T688 HydrophobicContact CE1-CG2 4.06Å; F638-T688 WeakPolarHBondContact CE1-OG1 3.36Å; F638-T688 HydrophobicContact CG-CG2 4.1Å
639	I	88.3	Confident	85	Confident	39 Å²	39	39.4 Å²	39.4	20%	0.2	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-118	122.1	173.9	-54.4	175.1	0	0	0	107.3	G646 I647 A649 H654	I639-G646 CarbonylContact O-C 3.57Å; I639-G646 WeakPolarHBondContact O-CA 3.25Å; I639-I647 HydrophobicContact CB-CG1 3.94Å; I639-I647 PolarHBondContact N-O 3.05Å; I639-I647 PolarHBondContact O-N 3.36Å; I639-A649 HydrophobicContact CD1-CB 3.78Å; I639-A649 HydrophobicContact CG1-CB 4.13Å; I639-H654 HydrophobicContact CD1-CB 3.83Å
640	T	80.1	Confident	85.1	Confident	16 Å²	16	37.1 Å²	37.1	10%	0.098	19%	0.192	C	C	.	.			trans	-154.5	149	-178.2	-178	0	0	0	0	111	S607 F638 D642 F643 T645	S607-T640 PolarHBondContact OG-N 3.15Å; S607-T640 PolarHBondContact OG-O 3.04Å; F638-T640 HydrophobicContact CD1-CG2 3.65Å; F638-T640 HydrophobicContact CE1-CG2 3.53Å; F638-T640 HydrophobicContact CZ-CG2 4.48Å; T640-D642 PolarHBondContact OG1-N 2.95Å; T640-F643 HydrophobicContact CG2-CB 4.43Å; T640-F643 HydrophobicContact CG2-CD1 3.53Å; T640-F643 HydrophobicContact CG2-CD2 4.06Å; T640-F643 HydrophobicContact CG2-CE1 3.62Å; T640-F643 HydrophobicContact CG2-CE2 4.13Å; T640-F643 HydrophobicContact CG2-CG 3.75Å; T640-F643 HydrophobicContact CG2-CZ 3.91Å; T640-F643 VanDerWaalsContact OG1-CA 3.27Å; T640-F643 WeakPolarHBondContact OG1-CA 3.35Å; T640-F643 PolarHBondContact OG1-N 3.37Å; T640-T645 VanDerWaalsContact CB-O 3.28Å; T640-T645 WeakPolarHBondContact CB-O 3.47Å; T640-T645 PolarHBondContact OG1-O 3.35Å
641	S	70.1	Confident	85	Confident	92 Å²	92	31.1 Å²	31.1	64%	0.643	17%	0.17	S	C	*	.	S	Bend	trans	-95.4	-29.3	173.3	-56.5	0	0	0	0	112.8
642	D	62.7	Low	84.6	Confident	89 Å²	89	31.5 Å²	31.5	48%	0.476	19%	0.189	S	C	.	.	S	Bend	trans	-133.6	-1.7	-169.3	65.7	1.7	0	0	0	114.5	T640 M644 T645	T640-D642 PolarHBondContact OG1-N 2.95Å; D642-M644 PolarHBondContact O-N 3.02Å; D642-M644 PolarHBondContact OD1-N 3.09Å; D642-T645 PolarHBondContact OD1-N 2.88Å; D642-T645 VanDerWaalsContact OD1-N 3.14Å
643	F	67.3	Low	84.2	Confident	77 Å²	77	35.7 Å²	35.7	34%	0.338	22%	0.215	S	C	.	.	S	Bend	trans	58.2	4.5	-171.4	-64.5	-91.3	0	0	0	115.5	P434 F638 T640 K683	P434-F643 HydrophobicContact CG-CE1 4.49Å; P434-F643 HydrophobicContact CG-CZ 3.86Å; F638-F643 HydrophobicContact CE1-CD1 4.36Å; T640-F643 HydrophobicContact CG2-CB 4.43Å; T640-F643 HydrophobicContact CG2-CD1 3.53Å; T640-F643 HydrophobicContact CG2-CD2 4.06Å; T640-F643 HydrophobicContact CG2-CE1 3.62Å; T640-F643 HydrophobicContact CG2-CE2 4.13Å; T640-F643 HydrophobicContact CG2-CG 3.75Å; T640-F643 HydrophobicContact CG2-CZ 3.91Å; T640-F643 VanDerWaalsContact OG1-CA 3.27Å; T640-F643 WeakPolarHBondContact OG1-CA 3.35Å; T640-F643 PolarHBondContact OG1-N 3.37Å; F643-K683 PolarHBondContact O-NZ 3.07Å
644	M	63.3	Low	83.7	Confident	96 Å²	96	38.7 Å²	38.7	47%	0.473	23%	0.229	S	C	.	.	S	Bend	trans	-85.7	-41.5	174.3	-64.7	-60.3	-73.8	0	0	110.5	D642 K683	D642-M644 PolarHBondContact O-N 3.02Å; D642-M644 PolarHBondContact OD1-N 3.09Å; M644-K683 VanDerWaalsContact O-CD 3.29Å; M644-K683 WeakPolarHBondContact O-CD 3.47Å; M644-K683 WeakPolarHBondContact O-CE 3.44Å; M644-K683 WeakPolarHBondContact O-CG 3.17Å
645	T	68.5	Low	83.4	Confident	81 Å²	81	38.8 Å²	38.8	50%	0.497	23%	0.229	S	C	.	.	S	Bend	trans	-126.4	157.4	171.8	61.7	0	0	0	0	110.3	T640 D642 K683	T640-T645 VanDerWaalsContact CB-O 3.28Å; T640-T645 WeakPolarHBondContact CB-O 3.47Å; T640-T645 PolarHBondContact OG1-O 3.35Å; D642-T645 PolarHBondContact OD1-N 2.88Å; D642-T645 VanDerWaalsContact OD1-N 3.14Å; T645-K683 WeakPolarHBondContact CA-O 3.4Å
646	G	78.9	Confident	83.2	Confident	10 Å²	10	40.3 Å²	40.3	10%	0.103	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	179.8	165.6	173.7	0	0	0	0	0	113.7	F638 I639 S682 K683	F638-G646 VanDerWaalsContact CE2-CA 3.43Å; I639-G646 CarbonylContact O-C 3.57Å; I639-G646 WeakPolarHBondContact O-CA 3.25Å; G646-S682 CarbonylContact O-C 3.51Å; G646-S682 WeakPolarHBondContact O-CA 3.22Å; G646-S682 WeakPolarHBondContact O-CB 3.42Å; G646-K683 PolarHBondContact N-O 3.46Å; G646-K683 VanDerWaalsContact N-O 3.12Å; G646-K683 PolarHBondContact O-N 3.19Å
647	I	87.8	Confident	83.1	Confident	65 Å²	65	43.4 Å²	43.4	33%	0.333	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-113.9	151.5	-175.9	62.2	174.2	0	0	0	110.7	F638 I639	F638-I647 WeakPolarHBondContact CD2-O 3.29Å; I639-I647 HydrophobicContact CB-CG1 3.94Å; I639-I647 PolarHBondContact N-O 3.05Å; I639-I647 PolarHBondContact O-N 3.36Å
648	A	89.3	Confident	83	Confident	4 Å²	4	51 Å²	51	3%	0.033	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-69.8	140.9	164.7	0	0	0	0	0	109.4	M542 T637 M650 D679	M542-A648 HydrophobicContact CE-CB 3.95Å; T637-A648 WeakPolarHBondContact O-CA 3.48Å; A648-M650 PolarHBondContact O-N 2.96Å; A648-D679 WeakPolarHBondContact CB-O 3.18Å
649	A	90	Very high	83.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-69.7	123.5	177.7	0	0	0	0	0	108.7	I606 T637 I639 P651 H654 I655 Y678	I606-A649 HydrophobicContact CD1-CB 4.38Å; I606-A649 HydrophobicContact CG1-CB 4.37Å; T637-A649 HydrophobicContact CG2-CB 4.35Å; T637-A649 VanDerWaalsContact OG1-CB 3.29Å; T637-A649 WeakPolarHBondContact OG1-CB 3.36Å; T637-A649 PolarHBondContact OG1-N 3Å; T637-A649 VanDerWaalsContact OG1-N 3.07Å; I639-A649 HydrophobicContact CD1-CB 3.78Å; I639-A649 HydrophobicContact CG1-CB 4.13Å; A649-P651 WeakPolarHBondContact O-CD 3.29Å; A649-H654 HydrophobicContact CB-CB 4.02Å; A649-I655 HydrophobicContact CB-CG2 4.43Å; A649-Y678 WeakPolarHBondContact O-CE1 3.46Å; A649-Y678 PolarHBondContact O-OH 3.14Å
650	M	89.7	Confident	83.3	Confident	30 Å²	30	50.1 Å²	50.1	15%	0.148	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-79.3	121.6	176.6	-168.1	163.3	75.4	0	0	110.4	W538 E539 M542 A648 T653 H654	W538-M650 HydrophobicContact CB-CG 3.88Å; W538-M650 HydrophobicContact CB-SD 4.39Å; E539-M650 HydrophobicContact CG-CE 3.96Å; E539-M650 HydrophobicContact CG-SD 4.06Å; M542-M650 HydrophobicContact CE-CB 3.98Å; M542-M650 HydrophobicContact CE-CG 4.25Å; M542-M650 HydrophobicContact CG-CG 4.18Å; M542-M650 HydrophobicContact CG-SD 3.9Å; A648-M650 PolarHBondContact O-N 2.96Å; M650-T653 HydrophobicContact CE-CG2 4.34Å; M650-T653 WeakPolarHBondContact CE-OG1 3.15Å; M650-T653 PolarHBondContact O-N 2.74Å; M650-H654 PolarHBondContact N-ND1 2.86Å; M650-H654 PolarHBondContact O-N 2.88Å
651	P	90.6	Very high	83.9	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.013	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-61.5	140.9	171.4	-20.6	34.4	0	0	0	110.9	W538 A649 T653 I655 E657 V660 Y678	W538-P651 HydrophobicContact CD2-CB 3.78Å; W538-P651 HydrophobicContact CD2-CG 3.65Å; W538-P651 HydrophobicContact CE3-CB 4.32Å; W538-P651 HydrophobicContact CE3-CG 3.66Å; W538-P651 HydrophobicContact CG-CB 4.11Å; W538-P651 HydrophobicContact CG-CG 4.34Å; W538-P651 HydrophobicContact CH2-CB 4.47Å; W538-P651 HydrophobicContact CH2-CG 3.87Å; W538-P651 HydrophobicContact CZ2-CB 3.95Å; W538-P651 HydrophobicContact CZ2-CG 3.86Å; W538-P651 HydrophobicContact CZ3-CG 3.78Å; A649-P651 WeakPolarHBondContact O-CD 3.29Å; P651-T653 VanDerWaalsContact C-N 3.29Å; P651-T653 PolarHBondContact O-N 3.33Å; P651-I655 CarbonylContact C-O 3.57Å; P651-I655 VanDerWaalsContact CA-O 3.32Å; P651-I655 WeakPolarHBondContact CA-O 3.24Å; P651-I655 HydrophobicContact CB-CG2 4.42Å; P651-I655 HydrophobicContact CG-CG2 4.49Å; P651-E657 HydrophobicContact CB-CB 4.47Å; P651-V660 HydrophobicContact CB-CG2 4.21Å; P651-V660 HydrophobicContact CG-CG2 4.17Å; P651-Y678 HydrophobicContact CG-CE1 4.05Å; P651-Y678 HydrophobicContact CG-CE2 4.35Å
652	G	86.2	Confident	85.1	Confident	59 Å²	59	52.9 Å²	52.9	61%	0.608	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-25.3	-172.9	0	0	0	0	0	114.3	I655	G652-I655 PolarHBondContact N-O 2.89Å
653	T	86	Confident	86.6	Confident	87 Å²	87	48.7 Å²	48.7	53%	0.534	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-58.3	180	-51.8	0	0	0	0	112.3	M650 P651	M650-T653 HydrophobicContact CE-CG2 4.34Å; M650-T653 WeakPolarHBondContact CE-OG1 3.15Å; M650-T653 PolarHBondContact O-N 2.74Å; P651-T653 VanDerWaalsContact C-N 3.29Å; P651-T653 PolarHBondContact O-N 3.33Å
654	H	87.4	Confident	87.8	Confident	63 Å²	63	45.5 Å²	45.5	29%	0.292	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-37.3	-174.7	-59.1	94.2	0	0	0	111.8	I639 A649 M650	I639-H654 HydrophobicContact CD1-CB 3.83Å; A649-H654 HydrophobicContact CB-CB 4.02Å; M650-H654 PolarHBondContact N-ND1 2.86Å; M650-H654 PolarHBondContact O-N 2.88Å
655	I	90.8	Very high	89.3	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-128.3	139.1	175.4	-172.5	170.8	0	0	0	108.5	L597 I606 A649 P651 G652 E657 V659 V660 M663	L597-I655 HydrophobicContact CD1-CD1 3.8Å; I606-I655 HydrophobicContact CD1-CD1 3.99Å; A649-I655 HydrophobicContact CB-CG2 4.43Å; P651-I655 CarbonylContact C-O 3.57Å; P651-I655 VanDerWaalsContact CA-O 3.32Å; P651-I655 WeakPolarHBondContact CA-O 3.24Å; P651-I655 HydrophobicContact CB-CG2 4.42Å; P651-I655 HydrophobicContact CG-CG2 4.49Å; G652-I655 PolarHBondContact N-O 2.89Å; I655-E657 PolarHBondContact O-N 2.74Å; I655-V659 HydrophobicContact CD1-CB 4.47Å; I655-V659 HydrophobicContact CD1-CG1 3.98Å; I655-V659 HydrophobicContact CG1-CB 4.29Å; I655-V659 HydrophobicContact CG1-CG1 4.27Å; I655-V660 HydrophobicContact CD1-CG2 4Å; I655-V660 HydrophobicContact CG1-CG2 4.25Å; I655-V660 HydrophobicContact CG2-CG2 3.75Å; I655-M663 HydrophobicContact CD1-CE 4.47Å
656	P	92.3	Very high	90.6	Very high	34 Å²	34	44.9 Å²	44.9	22%	0.221	25%	0.245	C	C	.	.			trans	-61.7	138.7	176.1	-21.8	32.8	0	0	0	111	Y602 E658 V659 V660	Y602-P656 HydrophobicContact CD1-CG 4.48Å; Y602-P656 HydrophobicContact CD2-CG 4.12Å; Y602-P656 HydrophobicContact CE1-CG 3.88Å; Y602-P656 HydrophobicContact CE2-CG 3.48Å; Y602-P656 VanDerWaalsContact CE2-CG 3.48Å; Y602-P656 WeakPolarHBondContact OH-CG 3.33Å; P656-E658 PolarHBondContact O-N 3.43Å; P656-V659 HydrophobicContact CB-CG2 4.01Å; P656-V659 HydrophobicContact CG-CG2 4.11Å; P656-V659 WeakPolarHBondContact O-CB 3.5Å; P656-V659 PolarHBondContact O-N 2.87Å; P656-V659 VanDerWaalsContact O-N 3.15Å; P656-V660 PolarHBondContact O-N 2.9Å
657	E	91.1	Very high	91.3	Very high	65 Å²	65	44.4 Å²	44.4	30%	0.304	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-37.6	178.6	-179.7	168.7	-157.9	0	0	111.9	W538 P651 I655 V659 V660 L661	W538-E657 VanDerWaalsContact NE1-CD 3.32Å; W538-E657 PolarHBondContact NE1-OE1 3.24Å; P651-E657 HydrophobicContact CB-CB 4.47Å; I655-E657 PolarHBondContact O-N 2.74Å; E657-V659 PolarHBondContact O-N 2.81Å; E657-V660 PolarHBondContact O-N 3.29Å; E657-V660 VanDerWaalsContact O-N 3.1Å; E657-L661 HydrophobicContact CG-CD1 3.93Å; E657-L661 HydrophobicContact CG-CG 4.17Å; E657-L661 WeakPolarHBondContact O-CG 3.22Å; E657-L661 PolarHBondContact O-N 3.1Å
658	E	92.3	Very high	91.6	Very high	161 Å²	161	47 Å²	47	75%	0.752	25%	0.249	S	C	*	.	H	α-helix	trans	-56.3	-38.2	176.6	-62.4	-178.2	177.6	0	0	112.9	P656 L661 K662	P656-E658 PolarHBondContact O-N 3.43Å; E658-L661 PolarHBondContact O-N 2.94Å; E658-K662 VanDerWaalsContact O-CB 3.32Å; E658-K662 WeakPolarHBondContact O-CB 3.47Å; E658-K662 PolarHBondContact O-N 3.36Å
659	V	93	Very high	91.8	Very high	18 Å²	18	53.5 Å²	53.5	11%	0.109	28%	0.277	C	S	.	.	H	α-helix	trans	-67.7	-43.2	179.3	174.8	0	0	0	0	110	I596 I655 P656 E657 K662 M663	I596-V659 HydrophobicContact CG2-CG1 4.04Å; I655-V659 HydrophobicContact CD1-CB 4.47Å; I655-V659 HydrophobicContact CD1-CG1 3.98Å; I655-V659 HydrophobicContact CG1-CB 4.29Å; I655-V659 HydrophobicContact CG1-CG1 4.27Å; P656-V659 HydrophobicContact CB-CG2 4.01Å; P656-V659 HydrophobicContact CG-CG2 4.11Å; P656-V659 WeakPolarHBondContact O-CB 3.5Å; P656-V659 PolarHBondContact O-N 2.87Å; P656-V659 VanDerWaalsContact O-N 3.15Å; E657-V659 PolarHBondContact O-N 2.81Å; V659-K662 PolarHBondContact O-N 3.46Å; V659-M663 HydrophobicContact CG1-CE 3.89Å; V659-M663 WeakPolarHBondContact O-CG 3.23Å; V659-M663 PolarHBondContact O-N 2.74Å
660	V	92.7	Very high	92	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-44.5	176.9	179.6	0	0	0	0	110.7	F562 P651 I655 P656 E657 K662 M663 V664 Y678	F562-V660 HydrophobicContact CE2-CG1 4.41Å; F562-V660 HydrophobicContact CZ-CG1 3.78Å; P651-V660 HydrophobicContact CB-CG2 4.21Å; P651-V660 HydrophobicContact CG-CG2 4.17Å; I655-V660 HydrophobicContact CD1-CG2 4Å; I655-V660 HydrophobicContact CG1-CG2 4.25Å; I655-V660 HydrophobicContact CG2-CG2 3.75Å; P656-V660 PolarHBondContact O-N 2.9Å; E657-V660 PolarHBondContact O-N 3.29Å; E657-V660 VanDerWaalsContact O-N 3.1Å; V660-K662 VanDerWaalsContact C-N 3.33Å; V660-K662 PolarHBondContact O-N 3Å; V660-M663 WeakPolarHBondContact O-CB 3.32Å; V660-M663 PolarHBondContact O-N 3.44Å; V660-V664 WeakPolarHBondContact O-CG2 3.46Å; V660-V664 PolarHBondContact O-N 3.39Å; V660-Y678 HydrophobicContact CG1-CD2 3.73Å; V660-Y678 HydrophobicContact CG1-CE2 3.68Å; V660-Y678 HydrophobicContact CG2-CE2 4.07Å
661	L	92.9	Very high	92.1	Very high	66 Å²	66	58.2 Å²	58.2	35%	0.346	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-38	176.7	-69.1	175.4	0	0	0	112.1	F562 E657 E658 V664 N665	F562-L661 HydrophobicContact CD1-CD2 4.41Å; F562-L661 HydrophobicContact CE1-CD2 4.11Å; E657-L661 HydrophobicContact CG-CD1 3.93Å; E657-L661 HydrophobicContact CG-CG 4.17Å; E657-L661 WeakPolarHBondContact O-CG 3.22Å; E657-L661 PolarHBondContact O-N 3.1Å; E658-L661 PolarHBondContact O-N 2.94Å; L661-V664 PolarHBondContact O-N 2.62Å; L661-N665 WeakPolarHBondContact O-CB 3.45Å; L661-N665 VanDerWaalsContact O-CG 3.32Å; L661-N665 PolarHBondContact O-N 3.16Å; L661-N665 PolarHBondContact O-ND2 3.23Å
662	K	94.3	Very high	92	Very high	100 Å²	100	60 Å²	60	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-44.2	173.1	-170	-179.1	177.5	-169.2	0	111.1	I596 E599 E658 V659 V660 V664 N665 E666	I596-K662 HydrophobicContact CD1-CG 4.25Å; I596-K662 HydrophobicContact CG2-CB 4.34Å; I596-K662 HydrophobicContact CG2-CD 4.06Å; I596-K662 HydrophobicContact CG2-CG 4.29Å; E599-K662 IonicContact OE2-NZ 3.2Å; E658-K662 VanDerWaalsContact O-CB 3.32Å; E658-K662 WeakPolarHBondContact O-CB 3.47Å; E658-K662 PolarHBondContact O-N 3.36Å; V659-K662 PolarHBondContact O-N 3.46Å; V660-K662 VanDerWaalsContact C-N 3.33Å; V660-K662 PolarHBondContact O-N 3Å; K662-V664 PolarHBondContact O-N 2.8Å; K662-N665 PolarHBondContact O-N 3.24Å; K662-E666 WeakPolarHBondContact O-CG 3.43Å; K662-E666 PolarHBondContact O-N 3.22Å
663	M	94.1	Very high	92.4	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-58.8	-47.4	174.1	-67	176.9	-174.8	0	0	111.6	A593 I596 L597 M609 V635 I655 V659 V660 N665 E666 I667	A593-M663 WeakPolarHBondContact O-CE 3.36Å; I596-M663 HydrophobicContact CB-CE 4.41Å; I596-M663 HydrophobicContact CB-CG 4.01Å; I596-M663 HydrophobicContact CD1-CB 4.45Å; I596-M663 HydrophobicContact CD1-CG 4.11Å; I596-M663 HydrophobicContact CG2-CE 4.15Å; I596-M663 HydrophobicContact CG2-CG 3.73Å; L597-M663 HydrophobicContact CB-CE 3.6Å; L597-M663 HydrophobicContact CD1-CE 4.06Å; L597-M663 HydrophobicContact CG-CE 4.35Å; M609-M663 HydrophobicContact CE-CE 4.37Å; M609-M663 HydrophobicContact SD-CE 4.14Å; M609-M663 HydrophobicContact SD-SD 4.23Å; V635-M663 HydrophobicContact CG1-SD 4.44Å; I655-M663 HydrophobicContact CD1-CE 4.47Å; V659-M663 HydrophobicContact CG1-CE 3.89Å; V659-M663 WeakPolarHBondContact O-CG 3.23Å; V659-M663 PolarHBondContact O-N 2.74Å; V660-M663 WeakPolarHBondContact O-CB 3.32Å; V660-M663 PolarHBondContact O-N 3.44Å; M663-N665 VanDerWaalsContact C-N 3.34Å; M663-N665 PolarHBondContact O-N 3.48Å; M663-E666 PolarHBondContact O-N 3.38Å; M663-I667 HydrophobicContact CB-CD1 4.35Å; M663-I667 WeakPolarHBondContact O-CB 3.43Å; M663-I667 WeakPolarHBondContact O-CD1 3.36Å; M663-I667 WeakPolarHBondContact O-CG1 3.33Å; M663-I667 PolarHBondContact O-N 3.22Å
664	V	93.8	Very high	92.7	Very high	10 Å²	10	54 Å²	54	6%	0.061	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-47.2	179.3	169.2	0	0	0	0	111.3	F562 V660 L661 K662 K668 V676	F562-V664 HydrophobicContact CB-CG1 3.92Å; F562-V664 HydrophobicContact CD1-CG1 4.49Å; F562-V664 HydrophobicContact CD1-CG2 4.18Å; F562-V664 HydrophobicContact CD2-CG1 4.25Å; F562-V664 HydrophobicContact CD2-CG2 3.42Å; F562-V664 VanDerWaalsContact CD2-CG2 3.42Å; F562-V664 HydrophobicContact CE1-CG2 4.16Å; F562-V664 HydrophobicContact CE2-CG2 3.36Å; F562-V664 HydrophobicContact CG-CG1 4Å; F562-V664 HydrophobicContact CG-CG2 3.84Å; F562-V664 HydrophobicContact CZ-CG2 3.76Å; V660-V664 WeakPolarHBondContact O-CG2 3.46Å; V660-V664 PolarHBondContact O-N 3.39Å; L661-V664 PolarHBondContact O-N 2.62Å; K662-V664 PolarHBondContact O-N 2.8Å; V664-K668 VanDerWaalsContact O-CB 3.25Å; V664-K668 WeakPolarHBondContact O-CB 3.47Å; V664-K668 PolarHBondContact O-N 2.87Å; V664-V676 HydrophobicContact CB-CB 4.47Å; V664-V676 HydrophobicContact CB-CG1 4.47Å; V664-V676 HydrophobicContact CG1-CB 4.09Å; V664-V676 HydrophobicContact CG1-CG2 4.34Å; V664-V676 HydrophobicContact CG2-CB 4.25Å; V664-V676 HydrophobicContact CG2-CG1 3.9Å
665	N	94.3	Very high	93	Very high	93 Å²	93	51.3 Å²	51.3	50%	0.497	27%	0.265	S	S	.	.	H	α-helix	trans	-65.7	-41.9	-178.3	-72.9	-27.9	0	0	0	112.6	L661 K662 M663 K669	L661-N665 WeakPolarHBondContact O-CB 3.45Å; L661-N665 VanDerWaalsContact O-CG 3.32Å; L661-N665 PolarHBondContact O-N 3.16Å; L661-N665 PolarHBondContact O-ND2 3.23Å; K662-N665 PolarHBondContact O-N 3.24Å; M663-N665 VanDerWaalsContact C-N 3.34Å; M663-N665 PolarHBondContact O-N 3.48Å; N665-K669 WeakPolarHBondContact O-CG 3.2Å
666	E	95.1	Very high	93.2	Very high	70 Å²	70	51.3 Å²	51.3	33%	0.327	27%	0.266	S	S	.	.	H	α-helix	trans	-73.5	-38.9	179.2	-65.6	-52.4	133.6	0	0	112.6	V592 I596 K662 M663 K668 K669	V592-E666 HydrophobicContact CG1-CB 3.48Å; V592-E666 VanDerWaalsContact CG1-CB 3.48Å; V592-E666 HydrophobicContact CG1-CG 4.47Å; I596-E666 HydrophobicContact CD1-CB 4.02Å; I596-E666 HydrophobicContact CD1-CG 3.94Å; K662-E666 WeakPolarHBondContact O-CG 3.43Å; K662-E666 PolarHBondContact O-N 3.22Å; M663-E666 PolarHBondContact O-N 3.38Å; E666-K668 VanDerWaalsContact C-N 3.3Å; E666-K668 PolarHBondContact O-N 2.9Å; E666-K669 PolarHBondContact O-N 3.17Å; E666-K669 IonicContact OE1-NZ 2.86Å; E666-K669 PolarHBondContact OE1-NZ 2.65Å; E666-K669 IonicContact OE2-NZ 3.2Å; E666-K669 PolarHBondContact OE2-NZ 3.21Å
667	I	94.2	Very high	93.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-37.9	176.1	-66.6	165.6	0	0	0	110.6	A589 V592 A593 V633 V635 M663 K669 I670 I673 V676	A589-I667 HydrophobicContact CB-CG2 4.32Å; V592-I667 HydrophobicContact CG1-CG1 4.43Å; A593-I667 HydrophobicContact CB-CD1 4.15Å; V633-I667 HydrophobicContact CB-CG2 3.84Å; V633-I667 HydrophobicContact CG1-CG2 4.01Å; V633-I667 HydrophobicContact CG2-CG2 3.81Å; V635-I667 HydrophobicContact CG2-CD1 4.07Å; M663-I667 HydrophobicContact CB-CD1 4.35Å; M663-I667 WeakPolarHBondContact O-CB 3.43Å; M663-I667 WeakPolarHBondContact O-CD1 3.36Å; M663-I667 WeakPolarHBondContact O-CG1 3.33Å; M663-I667 PolarHBondContact O-N 3.22Å; I667-K669 PolarHBondContact O-N 3.04Å; I667-I670 HydrophobicContact CG2-CD1 4.45Å; I667-I670 VanDerWaalsContact O-CB 3.29Å; I667-I670 WeakPolarHBondContact O-CB 3.16Å; I667-I670 WeakPolarHBondContact O-CG1 3.09Å; I667-I670 PolarHBondContact O-N 3.22Å; I667-I673 HydrophobicContact CG2-CG2 4.47Å; I667-V676 HydrophobicContact CB-CG2 3.99Å; I667-V676 HydrophobicContact CG2-CG2 3.72Å
668	K	93.3	Very high	93.6	Very high	120 Å²	120	46.6 Å²	46.6	52%	0.522	24%	0.241	S	C	.	.	H	α-helix	trans	-64.1	-23.9	179.1	-170.4	175	-178	-179.7	0	113.4	V664 E666 I670	V664-K668 VanDerWaalsContact O-CB 3.25Å; V664-K668 WeakPolarHBondContact O-CB 3.47Å; V664-K668 PolarHBondContact O-N 2.87Å; E666-K668 VanDerWaalsContact C-N 3.3Å; E666-K668 PolarHBondContact O-N 2.9Å; K668-I670 PolarHBondContact O-N 2.98Å
669	K	93.9	Very high	93.8	Very high	141 Å²	141	38.9 Å²	38.9	61%	0.613	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.5	175.3	-66.5	171.5	-171.9	171	0	113	N665 E666 I667	N665-K669 WeakPolarHBondContact O-CG 3.2Å; E666-K669 PolarHBondContact O-N 3.17Å; E666-K669 IonicContact OE1-NZ 2.86Å; E666-K669 PolarHBondContact OE1-NZ 2.65Å; E666-K669 IonicContact OE2-NZ 3.2Å; E666-K669 PolarHBondContact OE2-NZ 3.21Å; I667-K669 PolarHBondContact O-N 3.04Å
670	I	93.4	Very high	93.8	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.087	20%	0.2	C	C	.	.	S	Bend	trans	-69.5	129.2	-177.9	-59.8	172.4	0	0	0	109.4	T585 Q588 A589 I667 K668 G672 I673	T585-I670 HydrophobicContact CG2-CG2 4.11Å; Q588-I670 HydrophobicContact CB-CD1 4.45Å; Q588-I670 HydrophobicContact CG-CD1 4.02Å; Q588-I670 HydrophobicContact CG-CG1 4.31Å; A589-I670 VanDerWaalsContact CA-CD1 3.49Å; A589-I670 HydrophobicContact CB-CD1 3.83Å; I667-I670 HydrophobicContact CG2-CD1 4.45Å; I667-I670 VanDerWaalsContact O-CB 3.29Å; I667-I670 WeakPolarHBondContact O-CB 3.16Å; I667-I670 WeakPolarHBondContact O-CG1 3.09Å; I667-I670 PolarHBondContact O-N 3.22Å; K668-I670 PolarHBondContact O-N 2.98Å; I670-G672 PolarHBondContact O-N 2.7Å; I670-I673 HydrophobicContact CB-CG1 3.9Å; I670-I673 HydrophobicContact CG2-CG1 4.13Å; I670-I673 PolarHBondContact O-N 3.08Å
671	P	92.2	Very high	93.6	Very high	112 Å²	112	38.1 Å²	38.1	73%	0.727	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	133.6	178	-25.5	34.2	0	0	0	112.3
672	G	88.6	Confident	93.3	Very high	39 Å²	39	36 Å²	36	40%	0.402	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	88	-2.5	178.9	0	0	0	0	0	115.1	R630 R631 I670	R630-G672 WeakPolarHBondContact CA-O 3.44Å; R630-G672 WeakPolarHBondContact CB-O 3.13Å; R631-G672 PolarHBondContact N-O 2.96Å; I670-G672 PolarHBondContact O-N 2.7Å
673	I	93.7	Very high	92.6	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	129	172.6	-56.6	-48.2	0	0	0	110.8	T585 L613 R631 V633 I667 I670	T585-I673 HydrophobicContact CG2-CD1 3.71Å; T585-I673 HydrophobicContact CG2-CG1 4.45Å; L613-I673 HydrophobicContact CD1-CD1 3.89Å; R631-I673 CarbonylContact O-C 3.09Å; R631-I673 VanDerWaalsContact O-CA 3.28Å; R631-I673 WeakPolarHBondContact O-CA 3.36Å; V633-I673 HydrophobicContact CG2-CD1 3.56Å; V633-I673 HydrophobicContact CG2-CG1 4.12Å; V633-I673 HydrophobicContact CG2-CG2 4.21Å; I667-I673 HydrophobicContact CG2-CG2 4.47Å; I670-I673 HydrophobicContact CB-CG1 3.9Å; I670-I673 HydrophobicContact CG2-CG1 4.13Å; I670-I673 PolarHBondContact O-N 3.08Å
674	S	92.6	Very high	91.3	Very high	10 Å²	10	37 Å²	37	7%	0.07	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-65.6	174.9	169.9	0	0	0	0	110	F618 R631	F618-S674 PolarHBondContact N-OG 3.11Å; F618-S674 PolarHBondContact O-OG 2.65Å; R631-S674 PolarHBondContact O-N 3.08Å
675	R	93.8	Very high	90.5	Very high	6 Å²	6	37.9 Å²	37.9	2%	0.023	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	163.4	178.5	-70.4	-165	173.9	-148.9	9.2	112.8	I561 F562 S564 F618 D619 S632 V633	I561-R675 HydrophobicContact CG2-CB 4.22Å; F562-R675 PolarHBondContact O-NH1 3.09Å; S564-R675 VanDerWaalsContact O-CZ 3.25Å; S564-R675 PolarHBondContact O-NH1 3.04Å; S564-R675 PolarHBondContact O-NH2 2.96Å; S564-R675 PolarHBondContact OG-NH2 3.38Å; F618-R675 HydrophobicContact CB-CG 3.99Å; F618-R675 HydrophobicContact CD2-CB 3.88Å; F618-R675 HydrophobicContact CD2-CG 4.01Å; F618-R675 HydrophobicContact CE2-CB 4.41Å; F618-R675 HydrophobicContact CG-CG 4.24Å; D619-R675 VanDerWaalsContact CG-NH2 3.34Å; D619-R675 IonicContact OD1-CZ 3.96Å; D619-R675 IonicContact OD1-NE 3.9Å; D619-R675 IonicContact OD1-NH2 2.76Å; D619-R675 PolarHBondContact OD1-NH2 3.37Å; D619-R675 IonicContact OD2-CZ 3.32Å; D619-R675 IonicContact OD2-NE 3.74Å; D619-R675 PolarHBondContact OD2-NE 2.63Å; D619-R675 IonicContact OD2-NH2 3Å; D619-R675 PolarHBondContact OD2-NH2 2.86Å; S632-R675 CarbonylContact C-O 3.52Å; S632-R675 WeakPolarHBondContact CA-O 3.28Å; S632-R675 VanDerWaalsContact CB-O 3.25Å; S632-R675 WeakPolarHBondContact CB-O 3.41Å; S632-R675 PolarHBondContact OG-N 3.29Å; V633-R675 PolarHBondContact N-O 3.27Å
676	V	95.6	Very high	89.8	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	140.9	171.4	-172.2	0	0	0	0	108.1	F562 V633 V635 V664 I667	F562-V676 HydrophobicContact CD2-CB 4.5Å; F562-V676 WeakPolarHBondContact CD2-O 3.31Å; F562-V676 PolarHBondContact N-O 3.12Å; V633-V676 CarbonylContact O-C 3.58Å; V633-V676 VanDerWaalsContact O-CA 3.26Å; V633-V676 WeakPolarHBondContact O-CA 3.45Å; V635-V676 HydrophobicContact CG2-CG1 4.01Å; V664-V676 HydrophobicContact CB-CB 4.47Å; V664-V676 HydrophobicContact CB-CG1 4.47Å; V664-V676 HydrophobicContact CG1-CB 4.09Å; V664-V676 HydrophobicContact CG1-CG2 4.34Å; V664-V676 HydrophobicContact CG2-CB 4.25Å; V664-V676 HydrophobicContact CG2-CG1 3.9Å; I667-V676 HydrophobicContact CB-CG2 3.99Å; I667-V676 HydrophobicContact CG2-CG2 3.72Å
677	M	95.9	Very high	89.2	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	154.7	-178	-57.8	-177.8	-87.9	0	0	109.8	L510 V559 Y560 I561 T614 L616 F618 V633 V634 V635	L510-M677 HydrophobicContact CD1-SD 4.14Å; V559-M677 HydrophobicContact CB-CB 4.43Å; V559-M677 HydrophobicContact CG2-CB 4.41Å; V559-M677 HydrophobicContact CG2-SD 3.97Å; Y560-M677 CarbonylContact O-C 3.54Å; Y560-M677 WeakPolarHBondContact O-CA 3.28Å; I561-M677 HydrophobicContact CB-CG 4.3Å; I561-M677 HydrophobicContact CG1-CG 3.89Å; I561-M677 HydrophobicContact CG1-SD 3.96Å; I561-M677 HydrophobicContact CG2-CG 4.23Å; T614-M677 HydrophobicContact CG2-CE 4.02Å; T614-M677 WeakPolarHBondContact OG1-CE 3.4Å; L616-M677 HydrophobicContact CD1-CE 4.21Å; F618-M677 HydrophobicContact CE2-SD 4.48Å; F618-M677 HydrophobicContact CZ-SD 4.43Å; V633-M677 PolarHBondContact O-N 3.48Å; V634-M677 CarbonylContact C-O 3.34Å; V634-M677 WeakPolarHBondContact CA-O 3.36Å; V634-M677 HydrophobicContact CB-CB 4.44Å; V634-M677 HydrophobicContact CG1-CB 4.4Å; V634-M677 HydrophobicContact CG2-CB 4.07Å; V634-M677 HydrophobicContact CG2-CE 3.49Å; V634-M677 VanDerWaalsContact CG2-CE 3.49Å; V634-M677 HydrophobicContact CG2-SD 4.36Å; V635-M677 PolarHBondContact N-O 3.4Å
678	Y	96.1	Very high	88.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.5	174.8	-158.4	-92.8	0	0	0	109.8	W538 V559 Y560 F562 V635 T637 A649 P651 V660 L680	W538-Y678 HydrophobicContact CZ3-CD1 4.32Å; W538-Y678 HydrophobicContact CZ3-CG 4.48Å; V559-Y678 CarbonylContact C-O 3.49Å; V559-Y678 VanDerWaalsContact CA-O 3.24Å; V559-Y678 WeakPolarHBondContact CA-O 3.42Å; V559-Y678 WeakPolarHBondContact CB-O 3.27Å; Y560-Y678 PolarHBondContact N-O 3.38Å; Y560-Y678 PolarHBondContact O-N 3.42Å; F562-Y678 HydrophobicContact CE2-CD2 4.38Å; F562-Y678 HydrophobicContact CZ-CD2 4.48Å; V635-Y678 HydrophobicContact CB-CD2 4.19Å; V635-Y678 HydrophobicContact CG1-CD2 4.32Å; V635-Y678 HydrophobicContact CG1-CE2 4.19Å; V635-Y678 WeakPolarHBondContact O-CA 3.49Å; T637-Y678 HydrophobicContact CG2-CE2 4.08Å; T637-Y678 WeakPolarHBondContact CG2-OH 3.28Å; T637-Y678 PolarHBondContact OG1-OH 3.1Å; A649-Y678 WeakPolarHBondContact O-CE1 3.46Å; A649-Y678 PolarHBondContact O-OH 3.14Å; P651-Y678 HydrophobicContact CG-CE1 4.05Å; P651-Y678 HydrophobicContact CG-CE2 4.35Å; V660-Y678 HydrophobicContact CG1-CD2 3.73Å; V660-Y678 HydrophobicContact CG1-CE2 3.68Å; V660-Y678 HydrophobicContact CG2-CE2 4.07Å; Y678-L680 HydrophobicContact CD1-CD2 3.96Å
679	D	95.7	Very high	88.4	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123	175.9	-168.9	0.1	0	0	0	110.8	R557 V559 V634 V635 R636 A648 T681 W690	R557-D679 IonicContact CZ-OD2 3.48Å; R557-D679 IonicContact NH1-OD2 2.88Å; R557-D679 PolarHBondContact NH1-OD2 3.19Å; V559-D679 HydrophobicContact CG1-CB 4.3Å; V634-D679 HydrophobicContact CG1-CB 4.1Å; V635-D679 PolarHBondContact O-N 3.01Å; R636-D679 HydrophobicContact CB-CB 3.94Å; R636-D679 HydrophobicContact CG-CB 3.8Å; R636-D679 WeakPolarHBondContact CG-OD2 3.11Å; A648-D679 WeakPolarHBondContact CB-O 3.18Å; D679-T681 WeakPolarHBondContact OD1-CB 3.18Å; D679-T681 PolarHBondContact OD1-N 3.44Å; D679-T681 PolarHBondContact OD1-OG1 3.18Å; D679-W690 HydrophobicContact CB-CZ2 4.1Å; D679-W690 PolarHBondContact OD2-NE1 3.35Å
680	L	93.4	Very high	87.9	Confident	2 Å²	2	20.2 Å²	20.2	1%	0.01	13%	0.13	C	C	.	.			trans	-101.3	-2.6	-179.7	-60.4	168.3	0	0	0	112	W538 L541 M542 A545 V558 Y678	W538-L680 HydrophobicContact CE3-CD2 4.26Å; W538-L680 HydrophobicContact CZ3-CD2 4.27Å; L541-L680 HydrophobicContact CB-CD1 3.79Å; M542-L680 HydrophobicContact CE-CD2 3.75Å; M542-L680 HydrophobicContact SD-CB 4.07Å; M542-L680 HydrophobicContact SD-CD2 3.93Å; A545-L680 HydrophobicContact CB-CB 3.56Å; A545-L680 HydrophobicContact CB-CD1 4.45Å; V558-L680 PolarHBondContact O-N 2.92Å; V558-L680 VanDerWaalsContact O-N 3.09Å; Y678-L680 HydrophobicContact CD1-CD2 3.96Å
681	T	88.4	Confident	86.6	Confident	1 Å²	1	21 Å²	21	1%	0.006	13%	0.133	C	C	.	.			trans	-79.8	130.4	-168.2	-38	0	0	0	0	111.5	N556 R557 V558 D679 P685	N556-T681 WeakPolarHBondContact O-CG2 3.47Å; R557-T681 VanDerWaalsContact CA-OG1 3.29Å; R557-T681 WeakPolarHBondContact CA-OG1 3.4Å; R557-T681 WeakPolarHBondContact CB-OG1 3.4Å; R557-T681 HydrophobicContact CG-CG2 4.28Å; V558-T681 PolarHBondContact N-OG1 3.14Å; V558-T681 PolarHBondContact O-OG1 3.45Å; D679-T681 WeakPolarHBondContact OD1-CB 3.18Å; D679-T681 PolarHBondContact OD1-N 3.44Å; D679-T681 PolarHBondContact OD1-OG1 3.18Å; T681-P685 HydrophobicContact CG2-CG 4.14Å
682	S	86	Confident	86.3	Confident	21 Å²	21	16.5 Å²	16.5	15%	0.147	10%	0.104	C	C	.	.			trans	-84.3	163.1	170.2	-58.9	0	0	0	0	111.1	G646 P684 G686	G646-S682 CarbonylContact O-C 3.51Å; G646-S682 WeakPolarHBondContact O-CA 3.22Å; G646-S682 WeakPolarHBondContact O-CB 3.42Å; S682-P684 CarbonylContact C-O 3.49Å; S682-P684 CarbonylContact O-C 3.43Å; S682-G686 PolarHBondContact O-N 3.42Å
683	K	79.7	Confident	86.2	Confident	40 Å²	40	15.3 Å²	15.3	17%	0.174	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-104.9	118.7	171.6	176.6	176.8	-174.3	-169.5	0	108.9	F638 F643 M644 T645 G646 G686	F638-K683 HydrophobicContact CE2-CB 3.98Å; F638-K683 HydrophobicContact CZ-CB 3.84Å; F638-K683 HydrophobicContact CZ-CD 4.18Å; F643-K683 PolarHBondContact O-NZ 3.07Å; M644-K683 VanDerWaalsContact O-CD 3.29Å; M644-K683 WeakPolarHBondContact O-CD 3.47Å; M644-K683 WeakPolarHBondContact O-CE 3.44Å; M644-K683 WeakPolarHBondContact O-CG 3.17Å; T645-K683 WeakPolarHBondContact CA-O 3.4Å; G646-K683 PolarHBondContact N-O 3.46Å; G646-K683 VanDerWaalsContact N-O 3.12Å; G646-K683 PolarHBondContact O-N 3.19Å; K683-G686 WeakPolarHBondContact CA-O 3.38Å; K683-G686 WeakPolarHBondContact CB-O 3.5Å; K683-G686 VanDerWaalsContact CG-O 3.28Å; K683-G686 WeakPolarHBondContact CG-O 3.47Å
684	P	67.9	Low	85.8	Confident	83 Å²	83	15.6 Å²	15.6	54%	0.539	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	cis	-72.8	163.8	-12	31.1	-34.8	0	0	0	112.7	S682	S682-P684 CarbonylContact C-O 3.49Å; S682-P684 CarbonylContact O-C 3.43Å
685	P	76.8	Confident	85.4	Confident	28 Å²	28	15.9 Å²	15.9	18%	0.182	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.6	-10.2	8.9	36.1	-36	0	0	0	115.2	G516 V517 Q518 P549 T681	G516-P685 CarbonylContact C-O 3.58Å; G516-P685 WeakPolarHBondContact CA-O 3.39Å; V517-P685 PolarHBondContact N-O 3.33Å; V517-P685 WeakPolarHBondContact O-CA 3.21Å; Q518-P685 HydrophobicContact CG-CB 4.32Å; P549-P685 HydrophobicContact CB-CB 4.42Å; P549-P685 HydrophobicContact CB-CG 3.55Å; P549-P685 HydrophobicContact CG-CG 3.94Å; T681-P685 HydrophobicContact CG2-CG 4.14Å
686	G	79.6	Confident	84.9	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-77.7	177.9	175	0	0	0	0	0	112.1	S682 K683	S682-G686 PolarHBondContact O-N 3.42Å; K683-G686 WeakPolarHBondContact CA-O 3.38Å; K683-G686 WeakPolarHBondContact CB-O 3.5Å; K683-G686 VanDerWaalsContact CG-O 3.28Å; K683-G686 WeakPolarHBondContact CG-O 3.47Å
687	T	81.9	Confident	84.2	Confident	18 Å²	18	17.5 Å²	17.5	11%	0.11	10%	0.101	C	C	.	.			trans	-125	-178.4	167.8	63.7	0	0	0	0	110.3	V515 V517 R557 R636 E689	V515-T687 WeakPolarHBondContact CG1-OG1 3.05Å; V517-T687 HydrophobicContact CB-CG2 4.22Å; V517-T687 HydrophobicContact CG2-CG2 3.51Å; R557-T687 PolarHBondContact NH1-O 3.08Å; R557-T687 PolarHBondContact NH2-O 3.2Å; R557-T687 VanDerWaalsContact NH2-O 3.12Å; R557-T687 PolarHBondContact NH2-OG1 2.95Å; R636-T687 PolarHBondContact NH2-O 2.8Å; T687-E689 PolarHBondContact OG1-O 3.35Å
688	T	84.4	Confident	83.3	Confident	16 Å²	16	18.7 Å²	18.7	10%	0.098	11%	0.108	C	C	.	.	S	Bend	trans	-68.4	-51.5	179.4	-42.9	0	0	0	0	112.2	Q608 P610 R636 F638	Q608-T688 HydrophobicContact CB-CG2 4.34Å; P610-T688 HydrophobicContact CG-CG2 4.33Å; R636-T688 VanDerWaalsContact CD-O 3.3Å; R636-T688 WeakPolarHBondContact CD-O 3.29Å; R636-T688 PolarHBondContact NE-O 2.88Å; F638-T688 HydrophobicContact CB-CG2 4.27Å; F638-T688 HydrophobicContact CD1-CG2 3.52Å; F638-T688 HydrophobicContact CE1-CG2 4.06Å; F638-T688 WeakPolarHBondContact CE1-OG1 3.36Å; F638-T688 HydrophobicContact CG-CG2 4.1Å
689	E	86.4	Confident	82.3	Confident	19 Å²	19	20.2 Å²	20.2	9%	0.089	12%	0.116	C	C	.	.			trans	-93.2	166.9	178	-56.1	-68.8	169.6	0	0	110.4	I443 R444 R557 Q608 P610 T687 E691	I443-E689 HydrophobicContact CD1-CB 4.16Å; I443-E689 HydrophobicContact CD1-CG 3.95Å; R444-E689 IonicContact CZ-OE1 2.91Å; R444-E689 IonicContact CZ-OE2 3.81Å; R444-E689 IonicContact NE-OE1 2.68Å; R444-E689 IonicContact NE-OE2 3.35Å; R444-E689 PolarHBondContact NE-OE2 3.39Å; R444-E689 IonicContact NH2-OE1 3.64Å; R444-E689 PolarHBondContact NH2-OE1 3.29Å; R444-E689 IonicContact NH2-OE2 3.7Å; R557-E689 PolarHBondContact NH2-O 3.33Å; Q608-E689 PolarHBondContact NE2-OE1 3.07Å; P610-E689 WeakPolarHBondContact CB-OE2 3.31Å; T687-E689 PolarHBondContact OG1-O 3.35Å; E689-E691 HydrophobicContact CB-CG 4.45Å
690	W	84.6	Confident	81.2	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.126	C	C	.	.			trans	-107.9	-28.1	-177.9	-83.7	37.3	0	0	0	114.3	I446 I512 T514 V515 V527 R557 V559 I612 T614 V634 D679	I446-W690 HydrophobicContact CD1-CB 4.17Å; I512-W690 HydrophobicContact CD1-CZ3 4.16Å; T514-W690 PolarHBondContact OG1-O 2.88Å; V515-W690 PolarHBondContact N-O 3.03Å; V527-W690 HydrophobicContact CG1-CH2 3.79Å; V527-W690 HydrophobicContact CG1-CZ3 4.25Å; V527-W690 HydrophobicContact CG2-CH2 4.16Å; V527-W690 HydrophobicContact CG2-CZ3 3.94Å; R557-W690 HydrophobicContact CB-CZ2 4.48Å; R557-W690 VanDerWaalsContact CD-NE1 3.32Å; V559-W690 HydrophobicContact CG1-CH2 3.33Å; V559-W690 HydrophobicContact CG1-CZ2 3.36Å; I612-W690 HydrophobicContact CD1-CD2 4.39Å; I612-W690 HydrophobicContact CD1-CG 4.02Å; I612-W690 HydrophobicContact CG1-CB 4.04Å; I612-W690 HydrophobicContact CG1-CD2 4.49Å; I612-W690 HydrophobicContact CG1-CG 4.01Å; I612-W690 HydrophobicContact CG2-CB 4.09Å; I612-W690 HydrophobicContact CG2-CD2 4.45Å; I612-W690 HydrophobicContact CG2-CE3 4.25Å; I612-W690 HydrophobicContact CG2-CG 4.41Å; T614-W690 HydrophobicContact CG2-CE3 4.45Å; T614-W690 HydrophobicContact CG2-CZ3 4.17Å; V634-W690 HydrophobicContact CB-CH2 4.44Å; V634-W690 HydrophobicContact CG1-CH2 4Å; V634-W690 HydrophobicContact CG1-CZ2 3.72Å; V634-W690 HydrophobicContact CG2-CE3 4.31Å; V634-W690 HydrophobicContact CG2-CH2 3.76Å; V634-W690 HydrophobicContact CG2-CZ2 4.3Å; V634-W690 HydrophobicContact CG2-CZ3 3.75Å; D679-W690 HydrophobicContact CB-CZ2 4.1Å; D679-W690 PolarHBondContact OD2-NE1 3.35Å
691	E	65.6	Low	80.1	Confident	34 Å²	34	23.6 Å²	23.6	16%	0.159	14%	0.137	C	C	.	.			trans	63.2	0	-176.6	-44.9	-149.7	144.5	0	0	117.3	V330 I443 I446 V515 E689	V330-E691 HydrophobicContact CG1-CB 4.22Å; V330-E691 WeakPolarHBondContact CG1-OE2 3.47Å; I443-E691 HydrophobicContact CB-CB 4.08Å; I443-E691 HydrophobicContact CB-CG 3.77Å; I443-E691 VanDerWaalsContact CD1-OE1 3.31Å; I443-E691 WeakPolarHBondContact CD1-OE1 3.26Å; I443-E691 HydrophobicContact CG2-CB 4.25Å; I443-E691 HydrophobicContact CG2-CG 4.04Å; I443-E691 WeakPolarHBondContact CG2-OE1 3.29Å; I443-E691 WeakPolarHBondContact O-CA 3.44Å; I443-E691 PolarHBondContact O-N 3.47Å; I446-E691 VanDerWaalsContact CD1-C 3.45Å; I446-E691 WeakPolarHBondContact CD1-O 3.45Å; V515-E691 HydrophobicContact CG1-CG 4.1Å; E689-E691 HydrophobicContact CB-CG 4.45Å

Retrieved 691 of 691 residues in 1164.6 ms (Link to these results)

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