A0A077ZN03_TRITR Loading...

BRCT and PTCB-BRCT domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZN03, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 762 aa.

Structure Viewer

Loading PAE data...

(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	33.7	Very low	26.8	Very low	234 Å²	234	158.4 Å²	158.4	100%	1.153	88%	0.875	S	S	*	*				0	49	0	-143.5	170.1	-155.9	0	0	108.4
2	V	26.7	Very low	26.6	Very low	143 Å²	143	158.3 Å²	158.3	87%	0.867	87%	0.871	S	S	*	*				57.2	124.6	66	-179.2	0	0	0	0	111.5
3	M	24	Very low	26.7	Very low	176 Å²	176	152.8 Å²	152.8	87%	0.867	85%	0.851	S	S	*	*			trans	-74.1	152	-163.4	-55.7	-175.6	-176.1	0	0	114.1
4	S	25.8	Very low	27	Very low	106 Å²	106	149.7 Å²	149.7	74%	0.741	85%	0.854	S	S	*	*			trans	-141	103.3	155.7	60.7	0	0	0	0	110.3
5	F	26.9	Very low	27.9	Very low	204 Å²	204	144 Å²	144	90%	0.895	83%	0.827	S	S	*	*			trans	-99.3	105.5	155.6	-83.7	-82.4	0	0	0	106.6
6	S	29.2	Very low	29.3	Very low	112 Å²	112	142.1 Å²	142.1	78%	0.783	83%	0.825	S	S	*	*			trans	-78.4	142.5	179.2	-59.4	0	0	0	0	110.9	E8	S6-E8 PolarHBondContact O-N 3.48Å
7	N	24.8	Very low	31.2	Very low	163 Å²	163	142.9 Å²	142.9	87%	0.872	82%	0.817	S	S	*	*			trans	-48.8	130.1	-176.6	-69.7	-30.9	0	0	0	114.5
8	E	27.6	Very low	34	Very low	192 Å²	192	136.4 Å²	136.4	90%	0.897	78%	0.78	S	S	*	*			trans	-129.8	122.5	134.5	-108.5	-173.2	176.2	0	0	109.4	S6 S10	S6-E8 PolarHBondContact O-N 3.48Å; E8-S10 PolarHBondContact O-N 3.26Å
9	S	24.7	Very low	36.9	Very low	127 Å²	127	129.8 Å²	129.8	89%	0.888	74%	0.742	S	S	*	*			trans	-85.3	95.3	-171.5	48.6	0	0	0	0	111.7
10	S	26.7	Very low	39.7	Very low	96 Å²	96	125.2 Å²	125.2	67%	0.671	71%	0.714	S	S	*	*			trans	-143.1	142.9	156.3	63.3	0	0	0	0	110.8	E8 L12	E8-S10 PolarHBondContact O-N 3.26Å; S10-L12 PolarHBondContact O-N 2.71Å
11	L	24.7	Very low	42.2	Very low	189 Å²	189	119.2 Å²	119.2	99%	0.99	68%	0.68	S	S	*	*			trans	-71.4	84.8	-172.3	-77.7	156.1	0	0	0	112
12	L	24.5	Very low	45.1	Very low	158 Å²	158	108.1 Å²	108.1	83%	0.827	63%	0.625	S	S	*	*			trans	-99.7	115.7	166.4	-83.9	160.5	0	0	0	109.9	S10	S10-L12 PolarHBondContact O-N 2.71Å
13	S	27.7	Very low	48.2	Very low	87 Å²	87	107.2 Å²	107.2	61%	0.608	61%	0.606	S	S	*	*			trans	-62.1	156.4	-177.1	67	0	0	0	0	113	S15	S13-S15 PolarHBondContact O-N 3.23Å; S13-S15 PolarHBondContact OG-OG 3Å
14	A	31.5	Very low	51.3	Low	109 Å²	109	100.1 Å²	100.1	90%	0.901	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	17.3	-173.7	0	0	0	0	0	116.9
15	S	40.4	Very low	54.1	Low	64 Å²	64	96.9 Å²	96.9	45%	0.448	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.3	1.1	-174.2	58.7	0	0	0	0	115.5	S13 K17	S13-S15 PolarHBondContact O-N 3.23Å; S13-S15 PolarHBondContact OG-OG 3Å; S15-K17 PolarHBondContact O-N 3.3Å
16	S	50	Low	56.4	Low	114 Å²	114	95.7 Å²	95.7	80%	0.797	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	7.6	-165.1	-164.4	0	0	0	0	116.4
17	K	60.7	Low	58.5	Low	156 Å²	156	94.5 Å²	94.5	68%	0.678	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125	13.2	-177.1	-71.8	-169	178.4	-178.1	0	115.5	S15 E48	S15-K17 PolarHBondContact O-N 3.3Å; K17-E48 PolarHBondContact O-N 3.33Å
18	V	82.4	Confident	60.6	Low	26 Å²	26	88.7 Å²	88.7	16%	0.158	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.8	178.6	-173.8	0	0	0	0	110.8	E48 A50 Q66	V18-E48 WeakPolarHBondContact CA-O 3.27Å; V18-E48 HydrophobicContact CG2-CB 4.23Å; V18-E48 HydrophobicContact CG2-CG 4.15Å; V18-A50 HydrophobicContact CG1-CB 3.75Å; V18-Q66 HydrophobicContact CB-CG 4.25Å; V18-Q66 WeakPolarHBondContact O-CB 3.44Å; V18-Q66 WeakPolarHBondContact O-CG 3.3Å
19	V	88.7	Confident	62.9	Low	11 Å²	11	88 Å²	88	7%	0.067	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132	167.1	-179.7	0	0	0	0	109	L21 L42 V47 E48 S49 A50 P67 V69	V19-L21 HydrophobicContact CG1-CD2 4.31Å; V19-L42 HydrophobicContact CB-CD1 4.2Å; V19-L42 HydrophobicContact CG1-CD1 4.17Å; V19-L42 HydrophobicContact CG2-CD2 4.28Å; V19-V47 HydrophobicContact CG2-CG1 3.79Å; V19-E48 PolarHBondContact N-O 2.89Å; V19-S49 VanDerWaalsContact O-CA 3.3Å; V19-S49 WeakPolarHBondContact O-CA 3.46Å; V19-A50 PolarHBondContact O-N 3.13Å; V19-P67 HydrophobicContact CB-CG 4.44Å; V19-P67 HydrophobicContact CG1-CG 4.38Å; V19-P67 HydrophobicContact CG2-CG 4.08Å; V19-V69 HydrophobicContact CG1-CG2 3.43Å; V19-V69 VanDerWaalsContact CG1-CG2 3.43Å
20	Q	92.6	Very high	65.4	Low	36 Å²	36	84 Å²	84	17%	0.168	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	113.7	178.4	-74.8	-172	-15.1	0	0	110.8	A50 Q66 P67 L68 V69	Q20-A50 WeakPolarHBondContact CA-O 3.44Å; Q20-A50 HydrophobicContact CG-CB 4.42Å; Q20-Q66 HydrophobicContact CG-CB 4.17Å; Q20-P67 PolarHBondContact N-O 2.65Å; Q20-L68 HydrophobicContact CB-CD2 3.83Å; Q20-L68 CarbonylContact O-C 3.57Å; Q20-L68 WeakPolarHBondContact O-CA 3.5Å; Q20-V69 PolarHBondContact O-N 3.45Å
21	L	93.9	Very high	67.9	Low	0 Å²	0	82.8 Å²	82.8	0%	0	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.5	175.5	-56.2	178.8	0	0	0	108.8	V19 L35 L38 R39 L42 A50 W51 L52 V69	V19-L21 HydrophobicContact CG1-CD2 4.31Å; L21-L35 HydrophobicContact CB-CD2 4.44Å; L21-L35 HydrophobicContact CD2-CD2 4.2Å; L21-L38 HydrophobicContact CD2-CD2 4.15Å; L21-R39 HydrophobicContact CD1-CB 3.62Å; L21-R39 HydrophobicContact CD1-CG 3.75Å; L21-L42 HydrophobicContact CD2-CD1 4.26Å; L21-A50 PolarHBondContact N-O 3.32Å; L21-W51 HydrophobicContact CB-CD2 4.2Å; L21-W51 HydrophobicContact CB-CE3 3.64Å; L21-W51 HydrophobicContact CB-CH2 4.33Å; L21-W51 HydrophobicContact CB-CZ3 3.72Å; L21-W51 HydrophobicContact CD1-CH2 4.16Å; L21-W51 HydrophobicContact CD1-CZ2 4.16Å; L21-W51 HydrophobicContact CD1-CZ3 4.38Å; L21-W51 WeakPolarHBondContact O-CA 3.38Å; L21-L52 PolarHBondContact O-N 3.05Å; L21-V69 HydrophobicContact CD2-CB 3.94Å; L21-V69 HydrophobicContact CD2-CG1 4.49Å; L21-V69 HydrophobicContact CD2-CG2 4.17Å
22	V	93.7	Very high	70.8	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.006	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	119.2	-179.2	-169.3	0	0	0	0	109.2	L35 L52 C57 L68 V69 F70	V22-L35 WeakPolarHBondContact O-CD1 3.2Å; V22-L52 CarbonylContact C-O 3.55Å; V22-L52 WeakPolarHBondContact CA-O 3.48Å; V22-L52 HydrophobicContact CG2-CB 4.44Å; V22-L52 HydrophobicContact CG2-CD2 4.43Å; V22-C57 HydrophobicContact CG1-CB 3.95Å; V22-L68 HydrophobicContact CG2-CB 4.29Å; V22-L68 HydrophobicContact CG2-CD2 3.79Å; V22-V69 PolarHBondContact N-O 2.84Å; V22-F70 HydrophobicContact CB-CD1 3.9Å; V22-F70 HydrophobicContact CB-CE1 3.77Å; V22-F70 HydrophobicContact CB-CE2 4.48Å; V22-F70 HydrophobicContact CB-CG 4.31Å; V22-F70 HydrophobicContact CB-CZ 4.09Å; V22-F70 HydrophobicContact CG1-CD1 4.05Å; V22-F70 HydrophobicContact CG1-CE1 3.59Å; V22-F70 HydrophobicContact CG1-CZ 4.12Å; V22-F70 HydrophobicContact CG2-CD1 4.43Å; V22-F70 HydrophobicContact CG2-CD2 4.38Å; V22-F70 HydrophobicContact CG2-CE1 4.02Å; V22-F70 HydrophobicContact CG2-CE2 3.98Å; V22-F70 HydrophobicContact CG2-CZ 3.79Å
23	R	91.9	Very high	73.8	Confident	124 Å²	124	71.2 Å²	71.2	47%	0.468	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-64.3	146.1	177.1	-67.7	-175	176	172.6	-1.7	110.8	W51 L52 N54	R23-W51 HydrophobicContact CG-CE3 3.66Å; R23-W51 HydrophobicContact CG-CZ3 3.91Å; R23-L52 PolarHBondContact N-O 3.13Å; R23-N54 WeakPolarHBondContact O-CB 3.46Å
24	P	89	Confident	76.7	Confident	27 Å²	27	69.1 Å²	69.1	18%	0.175	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-57.1	156.9	170.4	-22.4	33.8	0	0	0	112.3	V30 A71	P24-V30 HydrophobicContact CB-CB 4.14Å; P24-V30 HydrophobicContact CB-CG1 4.3Å; P24-V30 HydrophobicContact CG-CB 4.38Å; P24-V30 HydrophobicContact CG-CG1 4.09Å; P24-V30 WeakPolarHBondContact CG-O 3.44Å; P24-A71 HydrophobicContact CG-CB 4.38Å
25	P	83.9	Confident	79.6	Confident	39 Å²	39	63.9 Å²	63.9	25%	0.253	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-58.9	141.8	173.8	-18.7	29.9	0	0	0	111.8	G27 G28 N54	P25-G27 PolarHBondContact O-N 3.47Å; P25-G28 PolarHBondContact O-N 3.47Å; P25-G28 VanDerWaalsContact O-N 3.11Å; P25-N54 HydrophobicContact CG-CB 4.31Å
26	E	77	Confident	82	Confident	178 Å²	178	65.5 Å²	65.5	83%	0.832	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	130.8	176	-63.5	-168.5	161.6	0	0	111
27	G	71.8	Confident	83.9	Confident	87 Å²	87	64.8 Å²	64.8	90%	0.897	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	2.8	-175.7	0	0	0	0	0	116	P25	P25-G27 PolarHBondContact O-N 3.47Å
28	G	68.5	Low	85.4	Confident	42 Å²	42	57.7 Å²	57.7	43%	0.433	34%	0.34	S	S	.	.			trans	-78.2	151.7	174.8	0	0	0	0	0	114.3	P25 V30	P25-G28 PolarHBondContact O-N 3.47Å; P25-G28 VanDerWaalsContact O-N 3.11Å; G28-V30 PolarHBondContact O-N 2.94Å; G28-V30 VanDerWaalsContact O-N 3.09Å
29	N	76.4	Confident	85.8	Confident	177 Å²	177	61.5 Å²	61.5	95%	0.947	35%	0.351	S	S	*	.	S	Bend	trans	-72.1	6.5	175.4	-71.7	-11.4	0	0	0	114.5
30	V	77.2	Confident	85.9	Confident	43 Å²	43	66.1 Å²	66.1	26%	0.261	37%	0.372	S	S	.	.			trans	-96.1	115.3	-173.3	-179.6	0	0	0	0	109.5	P24 G28 A71 E72	P24-V30 HydrophobicContact CB-CB 4.14Å; P24-V30 HydrophobicContact CB-CG1 4.3Å; P24-V30 HydrophobicContact CG-CB 4.38Å; P24-V30 HydrophobicContact CG-CG1 4.09Å; P24-V30 WeakPolarHBondContact CG-O 3.44Å; G28-V30 PolarHBondContact O-N 2.94Å; G28-V30 VanDerWaalsContact O-N 3.09Å; V30-A71 HydrophobicContact CG1-CB 3.66Å; V30-E72 HydrophobicContact CB-CG 4.49Å; V30-E72 HydrophobicContact CG1-CB 4.2Å; V30-E72 HydrophobicContact CG1-CG 3.73Å; V30-E72 HydrophobicContact CG2-CB 4.22Å; V30-E72 HydrophobicContact CG2-CG 3.86Å
31	S	80.3	Confident	85.8	Confident	71 Å²	71	66.1 Å²	66.1	50%	0.497	38%	0.378	S	S	.	.			trans	-69.4	141.6	179.4	179.4	0	0	0	0	112.7	T33	S31-T33 VanDerWaalsContact C-N 3.34Å; S31-T33 PolarHBondContact OG-N 2.92Å; S31-T33 VanDerWaalsContact OG-N 3.17Å; S31-T33 PolarHBondContact OG-OG1 2.89Å
32	C	84.6	Confident	85.6	Confident	32 Å²	32	66.2 Å²	66.2	22%	0.216	38%	0.379	C	S	.	.	S	Bend	trans	-78.3	-15.3	173.7	-156	0	0	0	0	113.2	S34 L35 E36	C32-S34 PolarHBondContact O-N 2.74Å; C32-L35 WeakPolarHBondContact O-CB 3.29Å; C32-L35 PolarHBondContact O-N 3.32Å; C32-E36 PolarHBondContact O-N 3.04Å; C32-E36 VanDerWaalsContact O-N 3.09Å
33	T	87.6	Confident	85.4	Confident	71 Å²	71	72.5 Å²	72.5	44%	0.436	41%	0.412	S	S	.	.	H	α-helix	trans	-56.5	-31.1	-173.3	-49.5	0	0	0	0	113.5	S31 E36 N37	S31-T33 VanDerWaalsContact C-N 3.34Å; S31-T33 PolarHBondContact OG-N 2.92Å; S31-T33 VanDerWaalsContact OG-N 3.17Å; S31-T33 PolarHBondContact OG-OG1 2.89Å; T33-E36 WeakPolarHBondContact CA-OE2 3.27Å; T33-E36 PolarHBondContact O-N 3.07Å; T33-N37 WeakPolarHBondContact O-CB 3.48Å; T33-N37 PolarHBondContact O-N 3.49Å; T33-N37 PolarHBondContact O-ND2 3.2Å
34	S	88.9	Confident	85.2	Confident	43 Å²	43	74.1 Å²	74.1	30%	0.301	42%	0.422	S	S	.	.	H	α-helix	trans	-66.4	-38	176	57.2	0	0	0	0	112.8	C32 L38	C32-S34 PolarHBondContact O-N 2.74Å; S34-L38 WeakPolarHBondContact O-CB 3.47Å; S34-L38 PolarHBondContact O-N 2.84Å; S34-L38 VanDerWaalsContact O-N 3.12Å
35	L	91.4	Very high	84.9	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-73.5	-35.6	174.8	-69.5	161.5	0	0	0	111.7	L21 V22 C32 L38 R39 W51 V69 A71 V91	L21-L35 HydrophobicContact CB-CD2 4.44Å; L21-L35 HydrophobicContact CD2-CD2 4.2Å; V22-L35 WeakPolarHBondContact O-CD1 3.2Å; C32-L35 WeakPolarHBondContact O-CB 3.29Å; C32-L35 PolarHBondContact O-N 3.32Å; L35-L38 PolarHBondContact O-N 3.11Å; L35-R39 WeakPolarHBondContact O-CB 3.41Å; L35-R39 PolarHBondContact O-N 2.98Å; L35-W51 HydrophobicContact CB-CH2 3.88Å; L35-W51 HydrophobicContact CB-CZ3 4.05Å; L35-W51 HydrophobicContact CD1-CZ3 4.4Å; L35-V69 HydrophobicContact CD2-CB 4.43Å; L35-V69 HydrophobicContact CD2-CG1 4.12Å; L35-A71 HydrophobicContact CD1-CB 3.86Å; L35-A71 HydrophobicContact CG-CB 4.11Å; L35-V91 HydrophobicContact CD2-CG2 3.59Å; L35-V91 HydrophobicContact CG-CG2 3.99Å
36	E	91.2	Very high	85	Confident	97 Å²	97	80.7 Å²	80.7	45%	0.453	46%	0.458	S	S	.	.	H	α-helix	trans	-65.3	-48	176	-66.5	171.4	152.7	0	0	111.3	C32 T33 L38 R39 E40 W51	C32-E36 PolarHBondContact O-N 3.04Å; C32-E36 VanDerWaalsContact O-N 3.09Å; T33-E36 WeakPolarHBondContact CA-OE2 3.27Å; T33-E36 PolarHBondContact O-N 3.07Å; E36-L38 VanDerWaalsContact C-N 3.28Å; E36-L38 PolarHBondContact O-N 2.91Å; E36-R39 VanDerWaalsContact O-CB 3.27Å; E36-R39 WeakPolarHBondContact O-CB 3.46Å; E36-R39 PolarHBondContact O-N 3.35Å; E36-R39 VanDerWaalsContact O-N 3.07Å; E36-E40 PolarHBondContact O-N 2.91Å; E36-E40 VanDerWaalsContact O-N 3.12Å; E36-W51 HydrophobicContact CG-CH2 4.17Å; E36-W51 HydrophobicContact CG-CZ2 4.3Å
37	N	91.4	Very high	85.3	Confident	99 Å²	99	74 Å²	74	53%	0.529	43%	0.429	S	S	.	.	H	α-helix	trans	-59.1	-39.2	173.1	-70.7	-18	0	0	0	112	T33 E40 A41	T33-N37 WeakPolarHBondContact O-CB 3.48Å; T33-N37 PolarHBondContact O-N 3.49Å; T33-N37 PolarHBondContact O-ND2 3.2Å; N37-E40 PolarHBondContact O-N 3.39Å; N37-A41 PolarHBondContact O-N 2.99Å
38	L	91.5	Very high	86.1	Confident	7 Å²	7	75.9 Å²	75.9	4%	0.037	41%	0.414	C	S	.	.	H	α-helix	trans	-65.6	-38.9	174.7	-177.1	63.9	0	0	0	111.9	L21 S34 L35 E36 E40 A41 L42 V69 V91 I94 A95	L21-L38 HydrophobicContact CD2-CD2 4.15Å; S34-L38 WeakPolarHBondContact O-CB 3.47Å; S34-L38 PolarHBondContact O-N 2.84Å; S34-L38 VanDerWaalsContact O-N 3.12Å; L35-L38 PolarHBondContact O-N 3.11Å; E36-L38 VanDerWaalsContact C-N 3.28Å; E36-L38 PolarHBondContact O-N 2.91Å; L38-E40 VanDerWaalsContact C-N 3.33Å; L38-E40 PolarHBondContact O-N 3.01Å; L38-A41 WeakPolarHBondContact O-CB 3.44Å; L38-A41 PolarHBondContact O-N 3.06Å; L38-A41 VanDerWaalsContact O-N 3.13Å; L38-L42 HydrophobicContact CG-CD1 4.2Å; L38-L42 HydrophobicContact CG-CG 4.45Å; L38-L42 WeakPolarHBondContact O-CG 3.22Å; L38-L42 PolarHBondContact O-N 3.35Å; L38-V69 HydrophobicContact CD2-CG1 3.75Å; L38-V91 HydrophobicContact CB-CG1 4.27Å; L38-V91 HydrophobicContact CD2-CB 4.49Å; L38-V91 HydrophobicContact CD2-CG1 4.29Å; L38-V91 HydrophobicContact CD2-CG2 4.2Å; L38-I94 HydrophobicContact CD1-CB 4.33Å; L38-I94 HydrophobicContact CD1-CG2 3.95Å; L38-I94 HydrophobicContact CD2-CB 4.1Å; L38-I94 HydrophobicContact CD2-CG2 4.11Å; L38-I94 HydrophobicContact CG-CG2 4.5Å; L38-A95 HydrophobicContact CD1-CB 4.36Å
39	R	91.6	Very high	87.1	Confident	107 Å²	107	74.9 Å²	74.9	40%	0.404	40%	0.401	S	S	.	.	H	α-helix	trans	-59.7	-43.5	177.1	-164.1	-177.8	179.6	-153.2	-0.1	111.7	L21 L35 E36 A41 L42 L43 S49	L21-R39 HydrophobicContact CD1-CB 3.62Å; L21-R39 HydrophobicContact CD1-CG 3.75Å; L35-R39 WeakPolarHBondContact O-CB 3.41Å; L35-R39 PolarHBondContact O-N 2.98Å; E36-R39 VanDerWaalsContact O-CB 3.27Å; E36-R39 WeakPolarHBondContact O-CB 3.46Å; E36-R39 PolarHBondContact O-N 3.35Å; E36-R39 VanDerWaalsContact O-N 3.07Å; R39-A41 VanDerWaalsContact C-N 3.34Å; R39-L42 PolarHBondContact O-N 3.2Å; R39-L43 WeakPolarHBondContact O-CB 3.27Å; R39-L43 PolarHBondContact O-N 3.48Å; R39-S49 VanDerWaalsContact CG-OG 3.31Å; R39-S49 WeakPolarHBondContact CG-OG 3.42Å; R39-S49 PolarHBondContact NE-OG 3.01Å
40	E	90.3	Very high	87.8	Confident	107 Å²	107	68.2 Å²	68.2	50%	0.5	37%	0.37	S	S	.	.	H	α-helix	trans	-62	-41.5	173.6	-69.1	-163.4	-178.3	0	0	112.5	E36 N37 L38 L42 L43 K44	E36-E40 PolarHBondContact O-N 2.91Å; E36-E40 VanDerWaalsContact O-N 3.12Å; N37-E40 PolarHBondContact O-N 3.39Å; L38-E40 VanDerWaalsContact C-N 3.33Å; L38-E40 PolarHBondContact O-N 3.01Å; E40-L42 VanDerWaalsContact C-N 3.35Å; E40-L43 PolarHBondContact O-N 3.12Å; E40-K44 WeakPolarHBondContact O-CB 3.38Å; E40-K44 WeakPolarHBondContact O-CD 3.31Å; E40-K44 VanDerWaalsContact O-CG 3.27Å; E40-K44 WeakPolarHBondContact O-CG 3.41Å; E40-K44 PolarHBondContact O-N 3.35Å; E40-K44 IonicContact OE2-NZ 2.92Å; E40-K44 PolarHBondContact OE2-NZ 3.39Å
41	A	89.6	Confident	88.6	Confident	36 Å²	36	69.2 Å²	69.2	30%	0.298	37%	0.369	S	S	.	.	H	α-helix	trans	-64	-40.5	178.4	0	0	0	0	0	111.7	N37 L38 R39 K44 K45 L98	N37-A41 PolarHBondContact O-N 2.99Å; L38-A41 WeakPolarHBondContact O-CB 3.44Å; L38-A41 PolarHBondContact O-N 3.06Å; L38-A41 VanDerWaalsContact O-N 3.13Å; R39-A41 VanDerWaalsContact C-N 3.34Å; A41-K44 PolarHBondContact O-N 3.29Å; A41-K45 PolarHBondContact O-N 3.2Å; A41-L98 HydrophobicContact CB-CD2 3.76Å
42	L	90	Very high	89.1	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.016	35%	0.353	C	S	.	.	H	α-helix	trans	-62.6	-45.4	174.2	-70.9	168.1	0	0	0	111.3	V19 L21 L38 R39 E40 K44 K45 S46 V47 I94 L98	V19-L42 HydrophobicContact CB-CD1 4.2Å; V19-L42 HydrophobicContact CG1-CD1 4.17Å; V19-L42 HydrophobicContact CG2-CD2 4.28Å; L21-L42 HydrophobicContact CD2-CD1 4.26Å; L38-L42 HydrophobicContact CG-CD1 4.2Å; L38-L42 HydrophobicContact CG-CG 4.45Å; L38-L42 WeakPolarHBondContact O-CG 3.22Å; L38-L42 PolarHBondContact O-N 3.35Å; R39-L42 PolarHBondContact O-N 3.2Å; E40-L42 VanDerWaalsContact C-N 3.35Å; L42-K44 PolarHBondContact O-N 3.13Å; L42-K45 CarbonylContact O-C 3.58Å; L42-K45 WeakPolarHBondContact O-CA 3.3Å; L42-K45 PolarHBondContact O-N 2.92Å; L42-S46 PolarHBondContact O-N 3.33Å; L42-V47 HydrophobicContact CB-CB 4.27Å; L42-V47 HydrophobicContact CD2-CB 3.98Å; L42-V47 HydrophobicContact CD2-CG1 3.91Å; L42-V47 HydrophobicContact CD2-CG2 4.49Å; L42-V47 PolarHBondContact O-N 3.09Å; L42-I94 HydrophobicContact CD2-CG2 4.45Å; L42-L98 HydrophobicContact CD2-CD1 4.06Å; L42-L98 HydrophobicContact CD2-CD2 3.92Å; L42-L98 HydrophobicContact CG-CD2 4.19Å
43	L	88.7	Confident	89.5	Confident	132 Å²	132	67.3 Å²	67.3	69%	0.691	35%	0.353	S	S	*	.	H	α-helix	trans	-61.4	-43.5	177.5	-174.2	66.4	0	0	0	112	R39 E40 K45 S46	R39-L43 WeakPolarHBondContact O-CB 3.27Å; R39-L43 PolarHBondContact O-N 3.48Å; E40-L43 PolarHBondContact O-N 3.12Å; L43-K45 PolarHBondContact O-N 3.3Å; L43-K45 VanDerWaalsContact O-N 3.13Å; L43-S46 PolarHBondContact O-N 3.07Å
44	K	88.3	Confident	89.6	Confident	158 Å²	158	64.2 Å²	64.2	69%	0.687	33%	0.333	S	S	*	.	H	α-helix	trans	-60.3	-19	174.4	-73.8	161.6	-177.7	155.3	0	113.4	E40 A41 L42	E40-K44 WeakPolarHBondContact O-CB 3.38Å; E40-K44 WeakPolarHBondContact O-CD 3.31Å; E40-K44 VanDerWaalsContact O-CG 3.27Å; E40-K44 WeakPolarHBondContact O-CG 3.41Å; E40-K44 PolarHBondContact O-N 3.35Å; E40-K44 IonicContact OE2-NZ 2.92Å; E40-K44 PolarHBondContact OE2-NZ 3.39Å; A41-K44 PolarHBondContact O-N 3.29Å; L42-K44 PolarHBondContact O-N 3.13Å
45	K	83.8	Confident	89.7	Confident	94 Å²	94	65.5 Å²	65.5	41%	0.409	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	9.2	177	-70.8	-82.7	-170	168.2	0	113.3	A41 L42 L43 V47 L98 N101	A41-K45 PolarHBondContact O-N 3.2Å; L42-K45 CarbonylContact O-C 3.58Å; L42-K45 WeakPolarHBondContact O-CA 3.3Å; L42-K45 PolarHBondContact O-N 2.92Å; L43-K45 PolarHBondContact O-N 3.3Å; L43-K45 VanDerWaalsContact O-N 3.13Å; K45-V47 HydrophobicContact CB-CG2 4.26Å; K45-V47 PolarHBondContact O-N 3.12Å; K45-L98 HydrophobicContact CB-CD1 3.83Å; K45-L98 HydrophobicContact CD-CD1 4.49Å; K45-L98 WeakPolarHBondContact CE-O 3.39Å; K45-L98 HydrophobicContact CG-CD1 3.75Å; K45-L98 HydrophobicContact CG-CG 4.03Å; K45-N101 PolarHBondContact NZ-OD1 2.75Å
46	S	84.5	Confident	89.7	Confident	110 Å²	110	70.3 Å²	70.3	77%	0.769	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	34.7	-176.7	-49.8	0	0	0	0	113.8	L42 L43	L42-S46 PolarHBondContact O-N 3.33Å; L43-S46 PolarHBondContact O-N 3.07Å
47	V	84.2	Confident	89.7	Confident	39 Å²	39	65.7 Å²	65.7	24%	0.236	34%	0.335	C	S	.	.			trans	-98.7	130.2	170.9	-176	0	0	0	0	108.6	V19 L42 K45 L98	V19-V47 HydrophobicContact CG2-CG1 3.79Å; L42-V47 HydrophobicContact CB-CB 4.27Å; L42-V47 HydrophobicContact CD2-CB 3.98Å; L42-V47 HydrophobicContact CD2-CG1 3.91Å; L42-V47 HydrophobicContact CD2-CG2 4.49Å; L42-V47 PolarHBondContact O-N 3.09Å; K45-V47 HydrophobicContact CB-CG2 4.26Å; K45-V47 PolarHBondContact O-N 3.12Å; V47-L98 HydrophobicContact CG2-CD1 4.43Å
48	E	87.9	Confident	89.7	Confident	125 Å²	125	62.4 Å²	62.4	58%	0.584	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	143.6	-178.1	-167.5	171.2	-163.8	0	0	110.6	K17 V18 V19	K17-E48 PolarHBondContact O-N 3.33Å; V18-E48 WeakPolarHBondContact CA-O 3.27Å; V18-E48 HydrophobicContact CG2-CB 4.23Å; V18-E48 HydrophobicContact CG2-CG 4.15Å; V19-E48 PolarHBondContact N-O 2.89Å
49	S	90.1	Very high	89.8	Confident	22 Å²	22	69.5 Å²	69.5	15%	0.154	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	128.9	-177.6	57.8	0	0	0	0	112	V19 R39	V19-S49 VanDerWaalsContact O-CA 3.3Å; V19-S49 WeakPolarHBondContact O-CA 3.46Å; R39-S49 VanDerWaalsContact CG-OG 3.31Å; R39-S49 WeakPolarHBondContact CG-OG 3.42Å; R39-S49 PolarHBondContact NE-OG 3.01Å
50	A	91.8	Very high	89.7	Confident	36 Å²	36	65.6 Å²	65.6	30%	0.298	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	152.1	174.7	0	0	0	0	0	110.4	V18 V19 Q20 L21	V18-A50 HydrophobicContact CG1-CB 3.75Å; V19-A50 PolarHBondContact O-N 3.13Å; Q20-A50 WeakPolarHBondContact CA-O 3.44Å; Q20-A50 HydrophobicContact CG-CB 4.42Å; L21-A50 PolarHBondContact N-O 3.32Å
51	W	92.2	Very high	89.5	Confident	65 Å²	65	70.9 Å²	70.9	25%	0.246	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	144.9	173.5	-72	104.1	0	0	0	111.1	L21 R23 L35 E36	L21-W51 HydrophobicContact CB-CD2 4.2Å; L21-W51 HydrophobicContact CB-CE3 3.64Å; L21-W51 HydrophobicContact CB-CH2 4.33Å; L21-W51 HydrophobicContact CB-CZ3 3.72Å; L21-W51 HydrophobicContact CD1-CH2 4.16Å; L21-W51 HydrophobicContact CD1-CZ2 4.16Å; L21-W51 HydrophobicContact CD1-CZ3 4.38Å; L21-W51 WeakPolarHBondContact O-CA 3.38Å; R23-W51 HydrophobicContact CG-CE3 3.66Å; R23-W51 HydrophobicContact CG-CZ3 3.91Å; L35-W51 HydrophobicContact CB-CH2 3.88Å; L35-W51 HydrophobicContact CB-CZ3 4.05Å; L35-W51 HydrophobicContact CD1-CZ3 4.4Å; E36-W51 HydrophobicContact CG-CH2 4.17Å; E36-W51 HydrophobicContact CG-CZ2 4.3Å
52	L	91.9	Very high	89.5	Confident	27 Å²	27	75.4 Å²	75.4	14%	0.141	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.5	169.3	-164.3	69.3	0	0	0	107.7	L21 V22 R23 Q56 C57 M60 L68	L21-L52 PolarHBondContact O-N 3.05Å; V22-L52 CarbonylContact C-O 3.55Å; V22-L52 WeakPolarHBondContact CA-O 3.48Å; V22-L52 HydrophobicContact CG2-CB 4.44Å; V22-L52 HydrophobicContact CG2-CD2 4.43Å; R23-L52 PolarHBondContact N-O 3.13Å; L52-Q56 HydrophobicContact CD1-CB 3.72Å; L52-Q56 HydrophobicContact CG-CB 4Å; L52-C57 HydrophobicContact CD2-CB 3.72Å; L52-C57 HydrophobicContact CG-CB 4.33Å; L52-M60 HydrophobicContact CD2-SD 4.22Å; L52-L68 HydrophobicContact CD2-CD2 4.02Å
53	T	91.9	Very high	89.5	Confident	36 Å²	36	81.7 Å²	81.7	22%	0.221	40%	0.404	C	S	.	.			trans	-81.2	159.5	169	85.8	0	0	0	0	110.7	E55 Q56 C57	T53-E55 WeakPolarHBondContact CB-OE2 3.39Å; T53-E55 PolarHBondContact O-N 3.45Å; T53-E55 PolarHBondContact OG1-N 3.48Å; T53-E55 PolarHBondContact OG1-OE2 2.87Å; T53-Q56 HydrophobicContact CG2-CG 4.5Å; T53-Q56 PolarHBondContact O-N 2.95Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.46Å; T53-Q56 PolarHBondContact OG1-N 3.36Å; T53-Q56 VanDerWaalsContact OG1-N 3.16Å; T53-C57 WeakPolarHBondContact O-CB 3.2Å; T53-C57 PolarHBondContact O-N 3.12Å
54	N	91	Very high	89.5	Confident	5 Å²	5	76.7 Å²	76.7	3%	0.027	38%	0.378	C	S	.	.	H	α-helix	trans	-59.9	-32.2	175.8	164.9	81.8	0	0	0	111.6	R23 P25 C57 A58 S76 G77	R23-N54 WeakPolarHBondContact O-CB 3.46Å; P25-N54 HydrophobicContact CG-CB 4.31Å; N54-C57 WeakPolarHBondContact O-CB 3.45Å; N54-C57 PolarHBondContact O-N 3.36Å; N54-A58 WeakPolarHBondContact O-CB 3.38Å; N54-A58 PolarHBondContact O-N 3.22Å; N54-S76 PolarHBondContact ND2-OG 3.19Å; N54-G77 WeakPolarHBondContact O-CA 3.45Å; N54-G77 WeakPolarHBondContact OD1-CA 3.46Å; N54-G77 PolarHBondContact OD1-N 3.31Å
55	E	91.5	Very high	89.4	Confident	70 Å²	70	78.7 Å²	78.7	33%	0.327	39%	0.387	S	S	.	.	H	α-helix	trans	-73.3	-47.5	-178.6	-56.5	60.6	-123.3	0	0	109.9	T53 C57 A58 E59	T53-E55 WeakPolarHBondContact CB-OE2 3.39Å; T53-E55 PolarHBondContact O-N 3.45Å; T53-E55 PolarHBondContact OG1-N 3.48Å; T53-E55 PolarHBondContact OG1-OE2 2.87Å; E55-C57 PolarHBondContact O-N 2.96Å; E55-A58 WeakPolarHBondContact O-CA 3.39Å; E55-A58 WeakPolarHBondContact O-CB 3.31Å; E55-A58 PolarHBondContact O-N 3.49Å; E55-E59 WeakPolarHBondContact O-CG 3.42Å; E55-E59 PolarHBondContact O-N 3.07Å
56	Q	91.3	Very high	89.6	Confident	101 Å²	101	76.6 Å²	76.6	47%	0.472	38%	0.379	S	S	.	.	H	α-helix	trans	-58.7	-35.7	171.3	-69.4	174.2	-24	0	0	111.9	L52 T53 M60	L52-Q56 HydrophobicContact CD1-CB 3.72Å; L52-Q56 HydrophobicContact CG-CB 4Å; T53-Q56 HydrophobicContact CG2-CG 4.5Å; T53-Q56 PolarHBondContact O-N 2.95Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.46Å; T53-Q56 PolarHBondContact OG1-N 3.36Å; T53-Q56 VanDerWaalsContact OG1-N 3.16Å; Q56-M60 WeakPolarHBondContact O-CG 3.28Å
57	C	91.1	Very high	89.8	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-69	-37.2	174.2	-163.6	0	0	0	0	112	V22 L52 T53 N54 E55 E59 M60 G77	V22-C57 HydrophobicContact CG1-CB 3.95Å; L52-C57 HydrophobicContact CD2-CB 3.72Å; L52-C57 HydrophobicContact CG-CB 4.33Å; T53-C57 WeakPolarHBondContact O-CB 3.2Å; T53-C57 PolarHBondContact O-N 3.12Å; N54-C57 WeakPolarHBondContact O-CB 3.45Å; N54-C57 PolarHBondContact O-N 3.36Å; E55-C57 PolarHBondContact O-N 2.96Å; C57-E59 VanDerWaalsContact C-N 3.34Å; C57-M60 WeakPolarHBondContact O-CB 3.33Å; C57-M60 WeakPolarHBondContact O-CE 3.19Å; C57-M60 WeakPolarHBondContact O-CG 3.41Å; C57-M60 PolarHBondContact O-N 3.32Å; C57-M60 WeakPolarHBondContact SG-CE 3.45Å; C57-G77 PolarHBondContact SG-O 3.26Å
58	A	91.4	Very high	90.3	Very high	30 Å²	30	70.6 Å²	70.6	25%	0.248	34%	0.338	C	S	.	.	H	α-helix	trans	-69.9	-28.5	175.9	0	0	0	0	0	113.1	N54 E55 M60 R80	N54-A58 WeakPolarHBondContact O-CB 3.38Å; N54-A58 PolarHBondContact O-N 3.22Å; E55-A58 WeakPolarHBondContact O-CA 3.39Å; E55-A58 WeakPolarHBondContact O-CB 3.31Å; E55-A58 PolarHBondContact O-N 3.49Å; A58-M60 VanDerWaalsContact C-N 3.29Å; A58-M60 PolarHBondContact O-N 3.29Å; A58-R80 WeakPolarHBondContact O-CG 2.9Å
59	E	91.9	Very high	90.6	Very high	157 Å²	157	64.6 Å²	64.6	73%	0.734	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-3.3	177.2	-70.8	-178.1	178.7	0	0	114.2	E55 C57 R61	E55-E59 WeakPolarHBondContact O-CG 3.42Å; E55-E59 PolarHBondContact O-N 3.07Å; C57-E59 VanDerWaalsContact C-N 3.34Å; E59-R61 PolarHBondContact O-N 3.08Å
60	M	89.4	Confident	90.8	Very high	24 Å²	24	63.9 Å²	63.9	12%	0.118	30%	0.304	C	S	.	.			trans	-61.3	126.8	-177.5	-67.3	-168.7	-52.6	0	0	112.5	L52 Q56 C57 A58 V64 L68 R80 A81 L84	L52-M60 HydrophobicContact CD2-SD 4.22Å; Q56-M60 WeakPolarHBondContact O-CG 3.28Å; C57-M60 WeakPolarHBondContact O-CB 3.33Å; C57-M60 WeakPolarHBondContact O-CE 3.19Å; C57-M60 WeakPolarHBondContact O-CG 3.41Å; C57-M60 PolarHBondContact O-N 3.32Å; C57-M60 WeakPolarHBondContact SG-CE 3.45Å; A58-M60 VanDerWaalsContact C-N 3.29Å; A58-M60 PolarHBondContact O-N 3.29Å; M60-V64 HydrophobicContact CE-CG2 4.4Å; M60-V64 HydrophobicContact SD-CG2 3.44Å; M60-V64 WeakPolarHBondContact SD-CG2 3.44Å; M60-L68 HydrophobicContact CE-CD1 3.93Å; M60-R80 PolarHBondContact O-NE 3.37Å; M60-R80 PolarHBondContact O-NH2 2.9Å; M60-A81 HydrophobicContact CE-CB 4.11Å; M60-L84 HydrophobicContact CB-CD1 3.81Å; M60-L84 HydrophobicContact CE-CD1 4.42Å
61	R	87.9	Confident	90.8	Very high	219 Å²	219	62.4 Å²	62.4	83%	0.826	29%	0.292	S	S	*	.			trans	-88	-35.3	177.7	-64.9	-171.9	-179.7	-167.8	1	113.5	E59	E59-R61 PolarHBondContact O-N 3.08Å
62	N	89.6	Confident	90.8	Very high	130 Å²	130	60.8 Å²	60.8	70%	0.695	29%	0.287	S	S	*	.	S	Bend	trans	-126.4	154.9	-172.2	-66.8	-34.5	0	0	0	111	V64	N62-V64 PolarHBondContact O-N 3.01Å
63	K	89.3	Confident	90.8	Very high	136 Å²	136	60 Å²	60	59%	0.591	28%	0.282	S	S	*	.			trans	-59.1	128.1	173.6	177.8	172	174	159	0	111.4	G85	K63-G85 WeakPolarHBondContact CE-O 3.43Å; K63-G85 PolarHBondContact NZ-O 3.35Å
64	V	87.8	Confident	90.6	Very high	26 Å²	26	61.9 Å²	61.9	16%	0.158	29%	0.294	C	S	.	.			trans	-83	143.7	174.7	179	0	0	0	0	109.9	M60 N62 Q66 C86	M60-V64 HydrophobicContact CE-CG2 4.4Å; M60-V64 HydrophobicContact SD-CG2 3.44Å; M60-V64 WeakPolarHBondContact SD-CG2 3.44Å; N62-V64 PolarHBondContact O-N 3.01Å; V64-Q66 HydrophobicContact CG1-CB 3.98Å; V64-C86 PolarHBondContact N-SG 3.2Å
65	K	85.9	Confident	90.5	Very high	200 Å²	200	62.7 Å²	62.7	87%	0.87	30%	0.303	S	S	*	.	S	Bend	trans	-82.8	-33.7	178.7	-72	-172.8	177	-176.8	0	112.5
66	Q	88.1	Confident	90.4	Very high	51 Å²	51	62 Å²	62	24%	0.238	31%	0.306	C	S	.	.	S	Bend	trans	-66.6	147.2	176.5	-66.4	79.7	-2.3	0	0	111.2	V18 Q20 V64	V18-Q66 HydrophobicContact CB-CG 4.25Å; V18-Q66 WeakPolarHBondContact O-CB 3.44Å; V18-Q66 WeakPolarHBondContact O-CG 3.3Å; Q20-Q66 HydrophobicContact CG-CB 4.17Å; V64-Q66 HydrophobicContact CG1-CB 3.98Å
67	P	90.4	Very high	90.4	Very high	22 Å²	22	57.2 Å²	57.2	14%	0.143	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-70.5	129.9	170.9	29.7	-33.6	0	0	0	110.8	V19 Q20 S87 F89 L104	V19-P67 HydrophobicContact CB-CG 4.44Å; V19-P67 HydrophobicContact CG1-CG 4.38Å; V19-P67 HydrophobicContact CG2-CG 4.08Å; Q20-P67 PolarHBondContact N-O 2.65Å; P67-S87 WeakPolarHBondContact CA-O 3.46Å; P67-F89 HydrophobicContact CB-CD2 3.96Å; P67-F89 HydrophobicContact CB-CE2 3.9Å; P67-L104 HydrophobicContact CB-CD1 4.23Å; P67-L104 HydrophobicContact CG-CD1 4.09Å
68	L	93.2	Very high	90.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.8	173.8	-66.4	163.1	0	0	0	109.3	Q20 V22 L52 M60 F70 A81 C86 S87 I88 F89	Q20-L68 HydrophobicContact CB-CD2 3.83Å; Q20-L68 CarbonylContact O-C 3.57Å; Q20-L68 WeakPolarHBondContact O-CA 3.5Å; V22-L68 HydrophobicContact CG2-CB 4.29Å; V22-L68 HydrophobicContact CG2-CD2 3.79Å; L52-L68 HydrophobicContact CD2-CD2 4.02Å; M60-L68 HydrophobicContact CE-CD1 3.93Å; L68-F70 HydrophobicContact CB-CD2 4.49Å; L68-F70 HydrophobicContact CB-CE2 3.83Å; L68-A81 HydrophobicContact CD1-CB 3.72Å; L68-C86 HydrophobicContact CD1-CB 3.72Å; L68-S87 PolarHBondContact N-O 3.1Å; L68-I88 CarbonylContact O-C 3.54Å; L68-I88 WeakPolarHBondContact O-CA 3.4Å; L68-F89 PolarHBondContact O-N 2.67Å
69	V	94.3	Very high	90.6	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.6	179.6	-167	0	0	0	0	110.3	V19 Q20 L21 V22 L35 L38 F89 V91 I94	V19-V69 HydrophobicContact CG1-CG2 3.43Å; V19-V69 VanDerWaalsContact CG1-CG2 3.43Å; Q20-V69 PolarHBondContact O-N 3.45Å; L21-V69 HydrophobicContact CD2-CB 3.94Å; L21-V69 HydrophobicContact CD2-CG1 4.49Å; L21-V69 HydrophobicContact CD2-CG2 4.17Å; V22-V69 PolarHBondContact N-O 2.84Å; L35-V69 HydrophobicContact CD2-CB 4.43Å; L35-V69 HydrophobicContact CD2-CG1 4.12Å; L38-V69 HydrophobicContact CD2-CG1 3.75Å; V69-F89 VanDerWaalsContact CA-O 3.32Å; V69-F89 WeakPolarHBondContact CA-O 3.46Å; V69-V91 HydrophobicContact CG1-CG2 4.19Å; V69-I94 HydrophobicContact CG1-CG1 4.02Å; V69-I94 HydrophobicContact CG2-CD1 4.34Å; V69-I94 HydrophobicContact CG2-CG1 3.79Å
70	F	94.4	Very high	90.6	Very high	7 Å²	7	57.8 Å²	57.8	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147	179.5	-66	-102.7	0	0	0	110.6	V22 L68 E72 F73 F78 A81 I88 F89 V91	V22-F70 HydrophobicContact CB-CD1 3.9Å; V22-F70 HydrophobicContact CB-CE1 3.77Å; V22-F70 HydrophobicContact CB-CE2 4.48Å; V22-F70 HydrophobicContact CB-CG 4.31Å; V22-F70 HydrophobicContact CB-CZ 4.09Å; V22-F70 HydrophobicContact CG1-CD1 4.05Å; V22-F70 HydrophobicContact CG1-CE1 3.59Å; V22-F70 HydrophobicContact CG1-CZ 4.12Å; V22-F70 HydrophobicContact CG2-CD1 4.43Å; V22-F70 HydrophobicContact CG2-CD2 4.38Å; V22-F70 HydrophobicContact CG2-CE1 4.02Å; V22-F70 HydrophobicContact CG2-CE2 3.98Å; V22-F70 HydrophobicContact CG2-CZ 3.79Å; L68-F70 HydrophobicContact CB-CD2 4.49Å; L68-F70 HydrophobicContact CB-CE2 3.83Å; F70-E72 WeakPolarHBondContact CB-O 3.06Å; F70-F73 HydrophobicContact CB-CD1 4.2Å; F70-F73 HydrophobicContact CB-CE1 4.39Å; F70-F78 HydrophobicContact CD1-CB 4.03Å; F70-F78 HydrophobicContact CE1-CB 3.77Å; F70-F78 HydrophobicContact CZ-CB 4.15Å; F70-A81 HydrophobicContact CE2-CB 4.45Å; F70-A81 HydrophobicContact CZ-CB 4.21Å; F70-I88 HydrophobicContact CD2-CG2 3.74Å; F70-I88 HydrophobicContact CE2-CG1 4.48Å; F70-I88 HydrophobicContact CE2-CG2 3.85Å; F70-F89 PolarHBondContact N-O 3.34Å; F70-V91 PolarHBondContact O-N 3.05Å
71	A	92.6	Very high	90.8	Very high	5 Å²	5	56.7 Å²	56.7	4%	0.041	27%	0.273	C	S	.	.	S	Bend	trans	-69.9	-35.4	171.6	0	0	0	0	0	112.2	P24 V30 L35 F112	P24-A71 HydrophobicContact CG-CB 4.38Å; V30-A71 HydrophobicContact CG1-CB 3.66Å; L35-A71 HydrophobicContact CD1-CB 3.86Å; L35-A71 HydrophobicContact CG-CB 4.11Å; A71-F112 WeakPolarHBondContact O-CE2 3.4Å; A71-F112 VanDerWaalsContact O-CZ 3.29Å; A71-F112 WeakPolarHBondContact O-CZ 3.32Å
72	E	91.8	Very high	90.9	Very high	31 Å²	31	48.6 Å²	48.6	15%	0.145	25%	0.25	C	C	.	.	S	Bend	trans	-143.8	148	175.1	-72.5	-66.4	-178.8	0	0	109.5	V30 F70 T74 R189 H190	V30-E72 HydrophobicContact CB-CG 4.49Å; V30-E72 HydrophobicContact CG1-CB 4.2Å; V30-E72 HydrophobicContact CG1-CG 3.73Å; V30-E72 HydrophobicContact CG2-CB 4.22Å; V30-E72 HydrophobicContact CG2-CG 3.86Å; F70-E72 WeakPolarHBondContact CB-O 3.06Å; E72-T74 HydrophobicContact CB-CG2 4.44Å; E72-T74 PolarHBondContact O-N 3.37Å; E72-R189 IonicContact OE1-CZ 2.75Å; E72-R189 IonicContact OE1-NE 3.46Å; E72-R189 PolarHBondContact OE1-NE 3.43Å; E72-R189 IonicContact OE1-NH2 3.51Å; E72-R189 PolarHBondContact OE1-NH2 3.16Å; E72-R189 IonicContact OE2-CZ 3.37Å; E72-R189 IonicContact OE2-NE 2.67Å; E72-R189 PolarHBondContact OE2-NE 3.13Å; E72-R189 IonicContact OE2-NH2 3.89Å; E72-R189 PolarHBondContact OE2-NH2 3.21Å; E72-R189 VanDerWaalsContact OE2-NH2 3.09Å; E72-H190 IonicContact OE1-CD2 3.33Å; E72-H190 IonicContact OE1-CE1 2.74Å; E72-H190 IonicContact OE1-NE2 3.48Å; E72-H190 PolarHBondContact OE1-NE2 2.95Å
73	F	92.1	Very high	91	Very high	10 Å²	10	49.1 Å²	49.1	4%	0.044	25%	0.248	C	C	.	.	S	Bend	trans	-81.6	65.6	175.4	-76.9	0.3	0	0	0	111.1	F70 F78 I88 P110 F112 W140 W186	F70-F73 HydrophobicContact CB-CD1 4.2Å; F70-F73 HydrophobicContact CB-CE1 4.39Å; F73-F78 HydrophobicContact CB-CD1 4.22Å; F73-F78 HydrophobicContact CB-CD2 4Å; F73-F78 HydrophobicContact CB-CE1 3.88Å; F73-F78 HydrophobicContact CB-CE2 3.65Å; F73-F78 HydrophobicContact CB-CG 4.28Å; F73-F78 HydrophobicContact CB-CZ 3.59Å; F73-F78 AromaticContact CD1-CD2 3.7Å; F73-F78 HydrophobicContact CD1-CD2 3.7Å; F73-F78 AromaticContact CD1-CE2 3.54Å; F73-F78 HydrophobicContact CD1-CE2 3.54Å; F73-F78 HydrophobicContact CD1-CZ 4.35Å; F73-F78 AromaticContact CD2-CE2 3.64Å; F73-F78 HydrophobicContact CD2-CE2 3.64Å; F73-F78 AromaticContact CD2-CZ 3.82Å; F73-F78 HydrophobicContact CD2-CZ 3.82Å; F73-F78 HydrophobicContact CE1-CD2 4.34Å; F73-F78 HydrophobicContact CE1-CE2 4.06Å; F73-F78 HydrophobicContact CE2-CE2 4.15Å; F73-F78 AromaticContact CG-CD2 3.85Å; F73-F78 HydrophobicContact CG-CD2 3.85Å; F73-F78 HydrophobicContact CG-CE1 4.45Å; F73-F78 AromaticContact CG-CE2 3.32Å; F73-F78 HydrophobicContact CG-CE2 3.32Å; F73-F78 AromaticContact CG-CZ 3.68Å; F73-F78 HydrophobicContact CG-CZ 3.68Å; F73-F78 HydrophobicContact CZ-CE2 4.34Å; F73-I88 HydrophobicContact CD1-CG2 4.35Å; F73-I88 HydrophobicContact CE1-CG2 3.59Å; F73-I88 HydrophobicContact CZ-CG2 3.8Å; F73-P110 HydrophobicContact CD2-CB 4.25Å; F73-P110 HydrophobicContact CE2-CB 3.51Å; F73-P110 HydrophobicContact CZ-CB 3.86Å; F73-F112 HydrophobicContact CB-CD2 4.47Å; F73-F112 AromaticContact CD1-CD2 3.61Å; F73-F112 HydrophobicContact CD1-CD2 3.61Å; F73-F112 HydrophobicContact CD1-CE2 4.22Å; F73-F112 HydrophobicContact CD2-CB 3.96Å; F73-F112 HydrophobicContact CD2-CD2 4.02Å; F73-F112 HydrophobicContact CD2-CG 4.45Å; F73-F112 AromaticContact CE1-CD2 3.73Å; F73-F112 HydrophobicContact CE1-CD2 3.73Å; F73-F112 HydrophobicContact CE2-CB 3.61Å; F73-F112 HydrophobicContact CE2-CD2 4.13Å; F73-F112 HydrophobicContact CE2-CG 4.4Å; F73-F112 AromaticContact CG-CD2 3.76Å; F73-F112 HydrophobicContact CG-CD2 3.76Å; F73-F112 HydrophobicContact CZ-CB 3.91Å; F73-F112 AromaticContact CZ-CD2 3.99Å; F73-F112 HydrophobicContact CZ-CD2 3.99Å; F73-F112 HydrophobicContact CZ-CG 4.48Å; F73-W140 HydrophobicContact CD2-CB 4.08Å; F73-W140 AromaticContact CD2-CD1 3.98Å; F73-W140 AromaticContact CD2-CD2 3.75Å; F73-W140 HydrophobicContact CD2-CD2 3.75Å; F73-W140 HydrophobicContact CD2-CE3 4.21Å; F73-W140 AromaticContact CD2-CG 3.67Å; F73-W140 HydrophobicContact CD2-CG 3.67Å; F73-W140 HydrophobicContact CE2-CB 4.08Å; F73-W140 AromaticContact CE2-CD1 3.97Å; F73-W140 HydrophobicContact CE2-CD2 4.44Å; F73-W140 AromaticContact CE2-CG 3.9Å; F73-W140 HydrophobicContact CE2-CG 3.9Å; F73-W186 HydrophobicContact CD2-CH2 4.3Å
74	T	88.4	Confident	91	Very high	75 Å²	75	44.2 Å²	44.2	46%	0.46	23%	0.228	S	C	.	.			trans	-146.7	145.1	-176.3	56.6	0	0	0	0	110.7	E72	E72-T74 HydrophobicContact CB-CG2 4.44Å; E72-T74 PolarHBondContact O-N 3.37Å
75	G	87.1	Confident	91	Very high	22 Å²	22	44.6 Å²	44.6	23%	0.227	24%	0.237	C	C	.	.	S	Bend	trans	102.6	160.7	175.2	0	0	0	0	0	113.5	G77 F78 E79	G75-G77 VanDerWaalsContact C-N 3.26Å; G75-G77 PolarHBondContact O-N 3.29Å; G75-F78 PolarHBondContact O-N 3.47Å; G75-E79 PolarHBondContact O-N 3.21Å; G75-E79 VanDerWaalsContact O-N 3.09Å
76	S	90.8	Very high	91.2	Very high	56 Å²	56	35.1 Å²	35.1	39%	0.392	20%	0.196	S	C	.	.	H	α-helix	trans	-58.1	-33.7	-173.1	48.6	0	0	0	0	113.8	N54 R80	N54-S76 PolarHBondContact ND2-OG 3.19Å; S76-R80 WeakPolarHBondContact O-CB 3.5Å; S76-R80 PolarHBondContact O-N 2.65Å
77	G	91.6	Very high	91.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.8	-39.2	176.3	0	0	0	0	0	113.1	N54 C57 G75 A81	N54-G77 WeakPolarHBondContact O-CA 3.45Å; N54-G77 WeakPolarHBondContact OD1-CA 3.46Å; N54-G77 PolarHBondContact OD1-N 3.31Å; C57-G77 PolarHBondContact SG-O 3.26Å; G75-G77 VanDerWaalsContact C-N 3.26Å; G75-G77 PolarHBondContact O-N 3.29Å; G77-A81 VanDerWaalsContact O-CB 3.26Å; G77-A81 WeakPolarHBondContact O-CB 3.38Å; G77-A81 PolarHBondContact O-N 3.46Å
78	F	93	Very high	91.5	Very high	11 Å²	11	33.1 Å²	33.1	5%	0.048	19%	0.189	C	C	.	.	H	α-helix	trans	-68.3	-48.6	175.2	166.5	-102.2	0	0	0	111	F70 F73 G75 R80 A81 S82 I88 P110 W140	F70-F78 HydrophobicContact CD1-CB 4.03Å; F70-F78 HydrophobicContact CE1-CB 3.77Å; F70-F78 HydrophobicContact CZ-CB 4.15Å; F73-F78 HydrophobicContact CB-CD1 4.22Å; F73-F78 HydrophobicContact CB-CD2 4Å; F73-F78 HydrophobicContact CB-CE1 3.88Å; F73-F78 HydrophobicContact CB-CE2 3.65Å; F73-F78 HydrophobicContact CB-CG 4.28Å; F73-F78 HydrophobicContact CB-CZ 3.59Å; F73-F78 AromaticContact CD1-CD2 3.7Å; F73-F78 HydrophobicContact CD1-CD2 3.7Å; F73-F78 AromaticContact CD1-CE2 3.54Å; F73-F78 HydrophobicContact CD1-CE2 3.54Å; F73-F78 HydrophobicContact CD1-CZ 4.35Å; F73-F78 AromaticContact CD2-CE2 3.64Å; F73-F78 HydrophobicContact CD2-CE2 3.64Å; F73-F78 AromaticContact CD2-CZ 3.82Å; F73-F78 HydrophobicContact CD2-CZ 3.82Å; F73-F78 HydrophobicContact CE1-CD2 4.34Å; F73-F78 HydrophobicContact CE1-CE2 4.06Å; F73-F78 HydrophobicContact CE2-CE2 4.15Å; F73-F78 AromaticContact CG-CD2 3.85Å; F73-F78 HydrophobicContact CG-CD2 3.85Å; F73-F78 HydrophobicContact CG-CE1 4.45Å; F73-F78 AromaticContact CG-CE2 3.32Å; F73-F78 HydrophobicContact CG-CE2 3.32Å; F73-F78 AromaticContact CG-CZ 3.68Å; F73-F78 HydrophobicContact CG-CZ 3.68Å; F73-F78 HydrophobicContact CZ-CE2 4.34Å; G75-F78 PolarHBondContact O-N 3.47Å; F78-R80 VanDerWaalsContact C-N 3.34Å; F78-R80 PolarHBondContact O-N 3.15Å; F78-A81 PolarHBondContact O-N 3.31Å; F78-S82 WeakPolarHBondContact O-CB 3.47Å; F78-S82 PolarHBondContact O-N 3.33Å; F78-I88 HydrophobicContact CD2-CG2 4Å; F78-I88 HydrophobicContact CE2-CD1 4.48Å; F78-I88 HydrophobicContact CE2-CG2 3.95Å; F78-P110 HydrophobicContact CE2-CB 4.18Å; F78-P110 HydrophobicContact CE2-CG 4.38Å; F78-P110 HydrophobicContact CZ-CG 4.48Å; F78-W140 HydrophobicContact CE1-CH2 4.27Å; F78-W140 AromaticContact CE1-CZ2 3.95Å; F78-W140 HydrophobicContact CE1-CZ2 3.95Å; F78-W140 HydrophobicContact CZ-CH2 4.39Å; F78-W140 AromaticContact CZ-CZ2 3.75Å; F78-W140 HydrophobicContact CZ-CZ2 3.75Å
79	E	92.4	Very high	91.5	Very high	119 Å²	119	33.2 Å²	33.2	56%	0.556	19%	0.189	S	C	*	.	H	α-helix	trans	-55	-50.6	177.8	-69.3	169.9	-178.2	0	0	110.5	G75 A81 S82 E83	G75-E79 PolarHBondContact O-N 3.21Å; G75-E79 VanDerWaalsContact O-N 3.09Å; E79-A81 PolarHBondContact O-N 2.97Å; E79-S82 WeakPolarHBondContact O-CB 3.49Å; E79-S82 PolarHBondContact O-N 2.83Å; E79-S82 VanDerWaalsContact O-N 3.17Å; E79-E83 WeakPolarHBondContact O-CG 3.5Å; E79-E83 PolarHBondContact O-N 2.7Å
80	R	93.3	Very high	91.5	Very high	70 Å²	70	33.2 Å²	33.2	26%	0.264	19%	0.189	S	C	.	.	H	α-helix	trans	-62.2	-44.3	178.5	-173.1	72	-168.3	132	4.6	113.3	A58 M60 S76 F78 S82 E83 L84	A58-R80 WeakPolarHBondContact O-CG 2.9Å; M60-R80 PolarHBondContact O-NE 3.37Å; M60-R80 PolarHBondContact O-NH2 2.9Å; S76-R80 WeakPolarHBondContact O-CB 3.5Å; S76-R80 PolarHBondContact O-N 2.65Å; F78-R80 VanDerWaalsContact C-N 3.34Å; F78-R80 PolarHBondContact O-N 3.15Å; R80-S82 PolarHBondContact O-N 2.95Å; R80-E83 IonicContact CZ-OE2 3.09Å; R80-E83 IonicContact NH1-OE2 2.7Å; R80-E83 PolarHBondContact NH1-OE2 3.23Å; R80-E83 PolarHBondContact O-N 3.43Å; R80-L84 HydrophobicContact CG-CD1 4.28Å; R80-L84 WeakPolarHBondContact O-CG 3.35Å; R80-L84 PolarHBondContact O-N 3.09Å; R80-L84 VanDerWaalsContact O-N 3.09Å
81	A	92.2	Very high	91.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-37.9	176.5	0	0	0	0	0	111.2	M60 L68 F70 G77 F78 E79 L84 G85 C86 I88	M60-A81 HydrophobicContact CE-CB 4.11Å; L68-A81 HydrophobicContact CD1-CB 3.72Å; F70-A81 HydrophobicContact CE2-CB 4.45Å; F70-A81 HydrophobicContact CZ-CB 4.21Å; G77-A81 VanDerWaalsContact O-CB 3.26Å; G77-A81 WeakPolarHBondContact O-CB 3.38Å; G77-A81 PolarHBondContact O-N 3.46Å; F78-A81 PolarHBondContact O-N 3.31Å; E79-A81 PolarHBondContact O-N 2.97Å; A81-L84 PolarHBondContact O-N 3.4Å; A81-G85 PolarHBondContact O-N 2.96Å; A81-C86 HydrophobicContact CB-CB 4.25Å; A81-C86 WeakPolarHBondContact O-CB 3.45Å; A81-C86 PolarHBondContact O-N 3.1Å; A81-I88 VanDerWaalsContact C-CD1 3.46Å; A81-I88 HydrophobicContact CB-CD1 3.61Å; A81-I88 HydrophobicContact CB-CG1 4.03Å
82	S	91.1	Very high	91.5	Very high	49 Å²	49	34.7 Å²	34.7	34%	0.343	20%	0.199	S	C	.	.	H	α-helix	trans	-70.2	-40.8	179.2	-167.6	0	0	0	0	111.7	F78 E79 R80 L84 G85	F78-S82 WeakPolarHBondContact O-CB 3.47Å; F78-S82 PolarHBondContact O-N 3.33Å; E79-S82 WeakPolarHBondContact O-CB 3.49Å; E79-S82 PolarHBondContact O-N 2.83Å; E79-S82 VanDerWaalsContact O-N 3.17Å; R80-S82 PolarHBondContact O-N 2.95Å; S82-L84 VanDerWaalsContact C-N 3.3Å; S82-L84 PolarHBondContact O-N 2.92Å; S82-G85 PolarHBondContact O-N 3.17Å; S82-G85 VanDerWaalsContact O-N 3.08Å
83	E	90.3	Very high	91.5	Very high	141 Å²	141	33.2 Å²	33.2	66%	0.659	19%	0.192	S	C	*	.	H	α-helix	trans	-58.2	-41.1	171.8	-72.9	179.6	164.5	0	0	112.4	E79 R80 G85	E79-E83 WeakPolarHBondContact O-CG 3.5Å; E79-E83 PolarHBondContact O-N 2.7Å; R80-E83 IonicContact CZ-OE2 3.09Å; R80-E83 IonicContact NH1-OE2 2.7Å; R80-E83 PolarHBondContact NH1-OE2 3.23Å; R80-E83 PolarHBondContact O-N 3.43Å; E83-G85 PolarHBondContact O-N 3.32Å
84	L	90.2	Very high	91.4	Very high	33 Å²	33	33.1 Å²	33.1	17%	0.173	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-5.7	177.6	-70.5	171.4	0	0	0	113.4	M60 R80 A81 S82 C86	M60-L84 HydrophobicContact CB-CD1 3.81Å; M60-L84 HydrophobicContact CE-CD1 4.42Å; R80-L84 HydrophobicContact CG-CD1 4.28Å; R80-L84 WeakPolarHBondContact O-CG 3.35Å; R80-L84 PolarHBondContact O-N 3.09Å; R80-L84 VanDerWaalsContact O-N 3.09Å; A81-L84 PolarHBondContact O-N 3.4Å; S82-L84 VanDerWaalsContact C-N 3.3Å; S82-L84 PolarHBondContact O-N 2.92Å; L84-C86 PolarHBondContact O-N 3.06Å
85	G	88.7	Confident	91.5	Very high	34 Å²	34	31 Å²	31	35%	0.351	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	32.9	-175.7	0	0	0	0	0	113	K63 A81 S82 E83	K63-G85 WeakPolarHBondContact CE-O 3.43Å; K63-G85 PolarHBondContact NZ-O 3.35Å; A81-G85 PolarHBondContact O-N 2.96Å; S82-G85 PolarHBondContact O-N 3.17Å; S82-G85 VanDerWaalsContact O-N 3.08Å; E83-G85 PolarHBondContact O-N 3.32Å
86	C	89.8	Confident	91.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	19%	0.187	C	C	.	.			trans	-62.6	162.2	175.2	-69.5	0	0	0	0	111.7	V64 L68 A81 L84 I88 P109	V64-C86 PolarHBondContact N-SG 3.2Å; L68-C86 HydrophobicContact CD1-CB 3.72Å; A81-C86 HydrophobicContact CB-CB 4.25Å; A81-C86 WeakPolarHBondContact O-CB 3.45Å; A81-C86 PolarHBondContact O-N 3.1Å; L84-C86 PolarHBondContact O-N 3.06Å; C86-I88 HydrophobicContact CB-CG1 4.17Å; C86-I88 PolarHBondContact O-N 3.43Å; C86-P109 WeakPolarHBondContact O-CB 3.05Å; C86-P109 VanDerWaalsContact O-CG 3.25Å; C86-P109 WeakPolarHBondContact O-CG 3.4Å
87	S	90.7	Very high	91.6	Very high	31 Å²	31	32 Å²	32	22%	0.217	17%	0.173	C	C	.	.			trans	-80.6	106.2	172.1	-161.6	0	0	0	0	109.3	P67 L68 F89	P67-S87 WeakPolarHBondContact CA-O 3.46Å; L68-S87 PolarHBondContact N-O 3.1Å; S87-F89 WeakPolarHBondContact OG-CE2 3.03Å
88	I	93.3	Very high	91.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.4	-169.8	-60.3	165.7	0	0	0	110	L68 F70 F73 F78 A81 C86 P109 P110 N111	L68-I88 CarbonylContact O-C 3.54Å; L68-I88 WeakPolarHBondContact O-CA 3.4Å; F70-I88 HydrophobicContact CD2-CG2 3.74Å; F70-I88 HydrophobicContact CE2-CG1 4.48Å; F70-I88 HydrophobicContact CE2-CG2 3.85Å; F73-I88 HydrophobicContact CD1-CG2 4.35Å; F73-I88 HydrophobicContact CE1-CG2 3.59Å; F73-I88 HydrophobicContact CZ-CG2 3.8Å; F78-I88 HydrophobicContact CD2-CG2 4Å; F78-I88 HydrophobicContact CE2-CD1 4.48Å; F78-I88 HydrophobicContact CE2-CG2 3.95Å; A81-I88 VanDerWaalsContact C-CD1 3.46Å; A81-I88 HydrophobicContact CB-CD1 3.61Å; A81-I88 HydrophobicContact CB-CG1 4.03Å; C86-I88 HydrophobicContact CB-CG1 4.17Å; C86-I88 PolarHBondContact O-N 3.43Å; I88-P109 VanDerWaalsContact N-CB 3.34Å; I88-P110 HydrophobicContact CB-CB 4.03Å; I88-P110 HydrophobicContact CD1-CG 4.4Å; I88-P110 HydrophobicContact CG2-CB 4.1Å; I88-P110 WeakPolarHBondContact O-CA 3.47Å; I88-N111 PolarHBondContact O-N 2.95Å
89	F	93.6	Very high	91.1	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.3	179.1	-61.6	-86.1	0	0	0	113.3	P67 L68 V69 F70 S87 I94 L104 P105 N111	P67-F89 HydrophobicContact CB-CD2 3.96Å; P67-F89 HydrophobicContact CB-CE2 3.9Å; L68-F89 PolarHBondContact O-N 2.67Å; V69-F89 VanDerWaalsContact CA-O 3.32Å; V69-F89 WeakPolarHBondContact CA-O 3.46Å; F70-F89 PolarHBondContact N-O 3.34Å; S87-F89 WeakPolarHBondContact OG-CE2 3.03Å; F89-I94 HydrophobicContact CB-CD1 3.48Å; F89-I94 VanDerWaalsContact CB-CD1 3.48Å; F89-I94 HydrophobicContact CB-CG1 3.59Å; F89-I94 HydrophobicContact CD1-CD1 3.99Å; F89-I94 HydrophobicContact CD2-CD1 3.73Å; F89-I94 HydrophobicContact CE2-CD1 4.43Å; F89-I94 HydrophobicContact CG-CD1 3.46Å; F89-I94 VanDerWaalsContact CG-CD1 3.46Å; F89-I94 HydrophobicContact CG-CG1 4.17Å; F89-L104 HydrophobicContact CE1-CD2 4.42Å; F89-L104 HydrophobicContact CE2-CD1 4.34Å; F89-L104 HydrophobicContact CZ-CB 4.33Å; F89-L104 HydrophobicContact CZ-CD2 4.26Å; F89-P105 HydrophobicContact CE1-CG 3.83Å; F89-P105 HydrophobicContact CZ-CG 4.15Å; F89-N111 CarbonylContact C-O 3.59Å; F89-N111 WeakPolarHBondContact CA-O 3.48Å; F89-N111 HydrophobicContact CD1-CB 4.15Å; F89-N111 HydrophobicContact CE1-CB 4.36Å
90	G	93.9	Very high	90.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	157.9	165	0	0	0	0	0	111.8	S93 I94 N111 F112	G90-S93 PolarHBondContact O-N 3.37Å; G90-I94 PolarHBondContact O-N 3.16Å; G90-N111 PolarHBondContact N-O 3Å; G90-F112 WeakPolarHBondContact CA-O 3.38Å
91	V	93.6	Very high	90.4	Very high	18 Å²	18	35 Å²	35	11%	0.109	21%	0.208	C	C	.	.	H	α-helix	trans	-53.2	-45	174.3	174	0	0	0	0	113	L35 L38 V69 F70 S93 A95	L35-V91 HydrophobicContact CD2-CG2 3.59Å; L35-V91 HydrophobicContact CG-CG2 3.99Å; L38-V91 HydrophobicContact CB-CG1 4.27Å; L38-V91 HydrophobicContact CD2-CB 4.49Å; L38-V91 HydrophobicContact CD2-CG1 4.29Å; L38-V91 HydrophobicContact CD2-CG2 4.2Å; V69-V91 HydrophobicContact CG1-CG2 4.19Å; F70-V91 PolarHBondContact O-N 3.05Å; V91-S93 VanDerWaalsContact C-N 3.32Å; V91-S93 PolarHBondContact O-N 2.98Å; V91-A95 VanDerWaalsContact O-CB 3.27Å; V91-A95 WeakPolarHBondContact O-CB 3.32Å; V91-A95 PolarHBondContact O-N 3.47Å
92	P	93.3	Very high	90	Very high	26 Å²	26	39.5 Å²	39.5	17%	0.169	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-39	179.2	-24.5	35.4	0	0	0	113.3	H96 F112 C113	P92-H96 PolarHBondContact O-N 3.39Å; P92-H96 VanDerWaalsContact O-N 3.09Å; P92-F112 HydrophobicContact CG-CD1 4.38Å; P92-F112 HydrophobicContact CG-CE1 3.86Å; P92-C113 HydrophobicContact CB-CB 4.01Å
93	S	92.3	Very high	89.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-55	178.4	-173.9	0	0	0	0	112.2	G90 V91 A95 H96 Y97 N111 F112	G90-S93 PolarHBondContact O-N 3.37Å; V91-S93 VanDerWaalsContact C-N 3.32Å; V91-S93 PolarHBondContact O-N 2.98Å; S93-A95 VanDerWaalsContact C-N 3.29Å; S93-A95 PolarHBondContact O-N 3.49Å; S93-H96 WeakPolarHBondContact O-CB 3.23Å; S93-H96 PolarHBondContact O-N 2.98Å; S93-Y97 WeakPolarHBondContact O-CD2 3.44Å; S93-Y97 PolarHBondContact O-N 3.05Å; S93-Y97 VanDerWaalsContact O-N 3.12Å; S93-Y97 WeakPolarHBondContact OG-CE2 3.49Å; S93-N111 WeakPolarHBondContact CB-OD1 3.22Å; S93-N111 PolarHBondContact OG-OD1 3.29Å; S93-F112 VanDerWaalsContact CB-O 3.28Å; S93-F112 WeakPolarHBondContact CB-O 3.49Å; S93-F112 PolarHBondContact N-O 3.44Å; S93-F112 VanDerWaalsContact N-O 3.15Å
94	I	90.8	Very high	89.4	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.036	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-41.3	178.5	-59.4	-62.6	0	0	0	111.1	L38 L42 V69 F89 G90 H96 Y97 L98 L104	L38-I94 HydrophobicContact CD1-CB 4.33Å; L38-I94 HydrophobicContact CD1-CG2 3.95Å; L38-I94 HydrophobicContact CD2-CB 4.1Å; L38-I94 HydrophobicContact CD2-CG2 4.11Å; L38-I94 HydrophobicContact CG-CG2 4.5Å; L42-I94 HydrophobicContact CD2-CG2 4.45Å; V69-I94 HydrophobicContact CG1-CG1 4.02Å; V69-I94 HydrophobicContact CG2-CD1 4.34Å; V69-I94 HydrophobicContact CG2-CG1 3.79Å; F89-I94 HydrophobicContact CB-CD1 3.48Å; F89-I94 VanDerWaalsContact CB-CD1 3.48Å; F89-I94 HydrophobicContact CB-CG1 3.59Å; F89-I94 HydrophobicContact CD1-CD1 3.99Å; F89-I94 HydrophobicContact CD2-CD1 3.73Å; F89-I94 HydrophobicContact CE2-CD1 4.43Å; F89-I94 HydrophobicContact CG-CD1 3.46Å; F89-I94 VanDerWaalsContact CG-CD1 3.46Å; F89-I94 HydrophobicContact CG-CG1 4.17Å; G90-I94 PolarHBondContact O-N 3.16Å; I94-H96 VanDerWaalsContact C-N 3.26Å; I94-H96 PolarHBondContact O-N 3.26Å; I94-Y97 PolarHBondContact O-N 3.22Å; I94-L98 WeakPolarHBondContact O-CB 3.22Å; I94-L98 PolarHBondContact O-N 3.33Å; I94-L104 HydrophobicContact CD1-CD1 4.45Å; I94-L104 HydrophobicContact CD1-CD2 3.67Å
95	A	90.6	Very high	88.8	Confident	31 Å²	31	38.7 Å²	38.7	26%	0.256	24%	0.235	S	C	.	.	H	α-helix	trans	-58.7	-38	177.2	0	0	0	0	0	112	L38 V91 S93 S99	L38-A95 HydrophobicContact CD1-CB 4.36Å; V91-A95 VanDerWaalsContact O-CB 3.27Å; V91-A95 WeakPolarHBondContact O-CB 3.32Å; V91-A95 PolarHBondContact O-N 3.47Å; S93-A95 VanDerWaalsContact C-N 3.29Å; S93-A95 PolarHBondContact O-N 3.49Å; A95-S99 VanDerWaalsContact O-CB 3.29Å; A95-S99 WeakPolarHBondContact O-CB 3.43Å; A95-S99 PolarHBondContact O-N 3.43Å; A95-S99 PolarHBondContact O-OG 3.15Å; A95-S99 VanDerWaalsContact O-OG 3.11Å
96	H	89.6	Confident	87.8	Confident	71 Å²	71	44.9 Å²	44.9	33%	0.329	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-59.6	172.7	-176.5	99.4	0	0	0	111.4	P92 S93 I94 L98 S99 S100 L114	P92-H96 PolarHBondContact O-N 3.39Å; P92-H96 VanDerWaalsContact O-N 3.09Å; S93-H96 WeakPolarHBondContact O-CB 3.23Å; S93-H96 PolarHBondContact O-N 2.98Å; I94-H96 VanDerWaalsContact C-N 3.26Å; I94-H96 PolarHBondContact O-N 3.26Å; H96-L98 PolarHBondContact O-N 2.98Å; H96-S99 PolarHBondContact O-N 2.95Å; H96-S99 PolarHBondContact O-OG 3.4Å; H96-S100 PolarHBondContact NE2-OG 3.45Å; H96-S100 VanDerWaalsContact NE2-OG 3.13Å; H96-S100 PolarHBondContact O-N 2.8Å; H96-S100 PolarHBondContact O-OG 3.23Å; H96-L114 HydrophobicContact CB-CD1 3.86Å; H96-L114 WeakPolarHBondContact CD2-CD1 3.39Å; H96-L114 VanDerWaalsContact CG-CD1 3.43Å
97	Y	88.7	Confident	86.6	Confident	28 Å²	28	48.5 Å²	48.5	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-54.2	-41.5	-177.7	-73.9	-73.3	0	0	0	112.4	S93 I94 N101 L102 P103 L104 P105 L114	S93-Y97 WeakPolarHBondContact O-CD2 3.44Å; S93-Y97 PolarHBondContact O-N 3.05Å; S93-Y97 VanDerWaalsContact O-N 3.12Å; S93-Y97 WeakPolarHBondContact OG-CE2 3.49Å; I94-Y97 PolarHBondContact O-N 3.22Å; Y97-N101 PolarHBondContact O-N 3.49Å; Y97-N101 VanDerWaalsContact O-N 3.07Å; Y97-L102 HydrophobicContact CD1-CB 3.79Å; Y97-L102 HydrophobicContact CE1-CB 4.45Å; Y97-L102 PolarHBondContact O-N 3.4Å; Y97-P103 WeakPolarHBondContact CD1-O 3.3Å; Y97-L104 HydrophobicContact CD2-CD2 3.95Å; Y97-L104 HydrophobicContact CG-CD2 3.97Å; Y97-P105 HydrophobicContact CE2-CG 4.35Å; Y97-L114 HydrophobicContact CE2-CD2 4.23Å
98	L	88.1	Confident	85.4	Confident	28 Å²	28	53 Å²	53	15%	0.147	31%	0.313	C	S	.	.	H	α-helix	trans	-67.6	-36.9	178.1	-169.2	68.2	0	0	0	113.2	A41 L42 K45 V47 I94 H96	A41-L98 HydrophobicContact CB-CD2 3.76Å; L42-L98 HydrophobicContact CD2-CD1 4.06Å; L42-L98 HydrophobicContact CD2-CD2 3.92Å; L42-L98 HydrophobicContact CG-CD2 4.19Å; K45-L98 HydrophobicContact CB-CD1 3.83Å; K45-L98 HydrophobicContact CD-CD1 4.49Å; K45-L98 WeakPolarHBondContact CE-O 3.39Å; K45-L98 HydrophobicContact CG-CD1 3.75Å; K45-L98 HydrophobicContact CG-CG 4.03Å; V47-L98 HydrophobicContact CG2-CD1 4.43Å; I94-L98 WeakPolarHBondContact O-CB 3.22Å; I94-L98 PolarHBondContact O-N 3.33Å; H96-L98 PolarHBondContact O-N 2.98Å
99	S	87.6	Confident	84.2	Confident	63 Å²	63	54.9 Å²	54.9	44%	0.441	33%	0.325	S	S	.	.	H	α-helix	trans	-73.4	-38.9	176.7	69.3	0	0	0	0	112.5	A95 H96 N101	A95-S99 VanDerWaalsContact O-CB 3.29Å; A95-S99 WeakPolarHBondContact O-CB 3.43Å; A95-S99 PolarHBondContact O-N 3.43Å; A95-S99 PolarHBondContact O-OG 3.15Å; A95-S99 VanDerWaalsContact O-OG 3.11Å; H96-S99 PolarHBondContact O-N 2.95Å; H96-S99 PolarHBondContact O-OG 3.4Å; S99-N101 VanDerWaalsContact C-N 3.33Å; S99-N101 PolarHBondContact O-N 3.12Å
100	S	86.2	Confident	83.9	Confident	51 Å²	51	55.7 Å²	55.7	36%	0.357	33%	0.33	S	S	.	.	H	α-helix	trans	-82.6	-4.9	-179	-54.6	0	0	0	0	113.9	H96 L102	H96-S100 PolarHBondContact NE2-OG 3.45Å; H96-S100 VanDerWaalsContact NE2-OG 3.13Å; H96-S100 PolarHBondContact O-N 2.8Å; H96-S100 PolarHBondContact O-OG 3.23Å; S100-L102 PolarHBondContact O-N 3.14Å
101	N	84.2	Confident	83.7	Confident	122 Å²	122	55.7 Å²	55.7	65%	0.652	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	35	-170.6	-57	-49.8	0	0	0	113.7	K45 Y97 S99	K45-N101 PolarHBondContact NZ-OD1 2.75Å; Y97-N101 PolarHBondContact O-N 3.49Å; Y97-N101 VanDerWaalsContact O-N 3.07Å; S99-N101 VanDerWaalsContact C-N 3.33Å; S99-N101 PolarHBondContact O-N 3.12Å
102	L	84.2	Confident	83.8	Confident	93 Å²	93	54.8 Å²	54.8	49%	0.487	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-92.6	146	179.9	-72.8	172.5	0	0	0	111.1	Y97 S100	Y97-L102 HydrophobicContact CD1-CB 3.79Å; Y97-L102 HydrophobicContact CE1-CB 4.45Å; Y97-L102 PolarHBondContact O-N 3.4Å; S100-L102 PolarHBondContact O-N 3.14Å
103	P	84	Confident	83.8	Confident	109 Å²	109	53.8 Å²	53.8	71%	0.708	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-65.6	147.5	172.8	29.4	-34.7	0	0	0	110.8	Y97	Y97-P103 WeakPolarHBondContact CD1-O 3.3Å
104	L	83.5	Confident	83.8	Confident	66 Å²	66	55.2 Å²	55.2	35%	0.346	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-65.1	143	173.5	-68	176.9	0	0	0	110.6	P67 F89 I94 Y97 N106	P67-L104 HydrophobicContact CB-CD1 4.23Å; P67-L104 HydrophobicContact CG-CD1 4.09Å; F89-L104 HydrophobicContact CE1-CD2 4.42Å; F89-L104 HydrophobicContact CE2-CD1 4.34Å; F89-L104 HydrophobicContact CZ-CB 4.33Å; F89-L104 HydrophobicContact CZ-CD2 4.26Å; I94-L104 HydrophobicContact CD1-CD1 4.45Å; I94-L104 HydrophobicContact CD1-CD2 3.67Å; Y97-L104 HydrophobicContact CD2-CD2 3.95Å; Y97-L104 HydrophobicContact CG-CD2 3.97Å; L104-N106 PolarHBondContact O-N 3.37Å
105	P	78.3	Confident	84.1	Confident	32 Å²	32	55.2 Å²	55.2	21%	0.208	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-71	122.6	-176.5	28	-34.7	0	0	0	111.6	F89 Y97 G107	F89-P105 HydrophobicContact CE1-CG 3.83Å; F89-P105 HydrophobicContact CZ-CG 4.15Å; Y97-P105 HydrophobicContact CE2-CG 4.35Å; P105-G107 PolarHBondContact O-N 2.67Å
106	N	68.4	Low	84.3	Confident	164 Å²	164	53.7 Å²	53.7	88%	0.877	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	124.8	172.5	-76.2	-27.1	0	0	0	110.6	L104	L104-N106 PolarHBondContact O-N 3.37Å
107	G	64.6	Low	84.4	Confident	76 Å²	76	51.3 Å²	51.3	78%	0.784	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	7.9	165.8	0	0	0	0	0	117.8	P105	P105-G107 PolarHBondContact O-N 2.67Å
108	K	64.1	Low	84.6	Confident	125 Å²	125	56.9 Å²	56.9	54%	0.543	34%	0.338	S	S	.	.			trans	-121.6	46.7	175.1	-66.4	-169	173.2	-169.2	0	117.1
109	P	67.8	Low	84.9	Confident	42 Å²	42	56 Å²	56	27%	0.273	33%	0.333	S	S	.	.			trans	-85.8	155.9	165.9	36.9	-34.4	0	0	0	112	C86 I88	C86-P109 WeakPolarHBondContact O-CB 3.05Å; C86-P109 VanDerWaalsContact O-CG 3.25Å; C86-P109 WeakPolarHBondContact O-CG 3.4Å; I88-P109 VanDerWaalsContact N-CB 3.34Å
110	P	87.7	Confident	85.2	Confident	17 Å²	17	55.7 Å²	55.7	11%	0.11	32%	0.324	C	S	.	.			cis	-83.6	138.5	-1	-9.5	28.2	0	0	0	113	F73 F78 I88	F73-P110 HydrophobicContact CD2-CB 4.25Å; F73-P110 HydrophobicContact CE2-CB 3.51Å; F73-P110 HydrophobicContact CZ-CB 3.86Å; F78-P110 HydrophobicContact CE2-CB 4.18Å; F78-P110 HydrophobicContact CE2-CG 4.38Å; F78-P110 HydrophobicContact CZ-CG 4.48Å; I88-P110 HydrophobicContact CB-CB 4.03Å; I88-P110 HydrophobicContact CD1-CG 4.4Å; I88-P110 HydrophobicContact CG2-CB 4.1Å; I88-P110 WeakPolarHBondContact O-CA 3.47Å
111	N	90.8	Very high	85.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-127.4	108.9	177.5	174.1	-46	0	0	0	110.6	I88 F89 G90 S93 C113 D142	I88-N111 PolarHBondContact O-N 2.95Å; F89-N111 CarbonylContact C-O 3.59Å; F89-N111 WeakPolarHBondContact CA-O 3.48Å; F89-N111 HydrophobicContact CD1-CB 4.15Å; F89-N111 HydrophobicContact CE1-CB 4.36Å; G90-N111 PolarHBondContact N-O 3Å; S93-N111 WeakPolarHBondContact CB-OD1 3.22Å; S93-N111 PolarHBondContact OG-OD1 3.29Å; N111-C113 PolarHBondContact OD1-O 3.2Å; N111-D142 WeakPolarHBondContact ND2-CB 3.5Å; N111-D142 VanDerWaalsContact ND2-CG 3.28Å; N111-D142 PolarHBondContact ND2-OD1 2.89Å
112	F	94.3	Very high	86.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.276	C	S	.	.			trans	-82.8	-47.1	-178	-167.2	-92.6	0	0	0	112.9	A71 F73 G90 P92 S93 W140 W186 R189 H190	A71-F112 WeakPolarHBondContact O-CE2 3.4Å; A71-F112 VanDerWaalsContact O-CZ 3.29Å; A71-F112 WeakPolarHBondContact O-CZ 3.32Å; F73-F112 HydrophobicContact CB-CD2 4.47Å; F73-F112 AromaticContact CD1-CD2 3.61Å; F73-F112 HydrophobicContact CD1-CD2 3.61Å; F73-F112 HydrophobicContact CD1-CE2 4.22Å; F73-F112 HydrophobicContact CD2-CB 3.96Å; F73-F112 HydrophobicContact CD2-CD2 4.02Å; F73-F112 HydrophobicContact CD2-CG 4.45Å; F73-F112 AromaticContact CE1-CD2 3.73Å; F73-F112 HydrophobicContact CE1-CD2 3.73Å; F73-F112 HydrophobicContact CE2-CB 3.61Å; F73-F112 HydrophobicContact CE2-CD2 4.13Å; F73-F112 HydrophobicContact CE2-CG 4.4Å; F73-F112 AromaticContact CG-CD2 3.76Å; F73-F112 HydrophobicContact CG-CD2 3.76Å; F73-F112 HydrophobicContact CZ-CB 3.91Å; F73-F112 AromaticContact CZ-CD2 3.99Å; F73-F112 HydrophobicContact CZ-CD2 3.99Å; F73-F112 HydrophobicContact CZ-CG 4.48Å; G90-F112 WeakPolarHBondContact CA-O 3.38Å; P92-F112 HydrophobicContact CG-CD1 4.38Å; P92-F112 HydrophobicContact CG-CE1 3.86Å; S93-F112 VanDerWaalsContact CB-O 3.28Å; S93-F112 WeakPolarHBondContact CB-O 3.49Å; S93-F112 PolarHBondContact N-O 3.44Å; S93-F112 VanDerWaalsContact N-O 3.15Å; F112-W140 WeakPolarHBondContact CA-O 3.41Å; F112-W140 HydrophobicContact CB-CB 4.33Å; F112-W140 WeakPolarHBondContact CB-O 3.46Å; F112-W140 PolarHBondContact N-O 2.88Å; F112-W186 HydrophobicContact CB-CH2 3.73Å; F112-W186 HydrophobicContact CB-CZ3 3.85Å; F112-W186 HydrophobicContact CD1-CH2 4.18Å; F112-W186 HydrophobicContact CD1-CZ3 4.38Å; F112-W186 HydrophobicContact CD2-CH2 4.22Å; F112-W186 AromaticContact CG-CH2 3.75Å; F112-W186 HydrophobicContact CG-CH2 3.75Å; F112-W186 HydrophobicContact CG-CZ3 4.17Å; F112-R189 HydrophobicContact CD1-CB 3.89Å; F112-R189 HydrophobicContact CD1-CG 3.93Å; F112-R189 HydrophobicContact CE1-CB 4.03Å; F112-R189 HydrophobicContact CE1-CG 3.59Å; F112-H190 AromaticContact CE1-CE1 3.72Å; F112-H190 AromaticContact CZ-CE1 3.55Å
113	C	94	Very high	86.6	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.034	26%	0.257	C	S	.	.			trans	-152.4	173.4	-177.5	67.9	0	0	0	0	109.7	P92 N111 W140 M141 D142 R189	P92-C113 HydrophobicContact CB-CB 4.01Å; N111-C113 PolarHBondContact OD1-O 3.2Å; C113-W140 PolarHBondContact N-O 2.95Å; C113-M141 CarbonylContact O-C 3.46Å; C113-M141 VanDerWaalsContact O-CA 3.3Å; C113-M141 WeakPolarHBondContact O-CA 3.28Å; C113-D142 PolarHBondContact O-N 3.24Å; C113-R189 VanDerWaalsContact CB-O 3.29Å; C113-R189 WeakPolarHBondContact CB-O 3.48Å
114	L	93.2	Very high	86.8	Confident	30 Å²	30	39 Å²	39	16%	0.157	23%	0.226	C	C	.	.			trans	-103.6	20.7	-176.5	-55.2	-178.4	0	0	0	113.1	H96 Y97 M116 S117 M141 D142	H96-L114 HydrophobicContact CB-CD1 3.86Å; H96-L114 WeakPolarHBondContact CD2-CD1 3.39Å; H96-L114 VanDerWaalsContact CG-CD1 3.43Å; Y97-L114 HydrophobicContact CE2-CD2 4.23Å; L114-M116 PolarHBondContact O-N 3.29Å; L114-M116 VanDerWaalsContact O-N 3.13Å; L114-S117 VanDerWaalsContact O-CB 3.31Å; L114-S117 WeakPolarHBondContact O-CB 3.44Å; L114-S117 PolarHBondContact O-N 2.83Å; L114-S117 PolarHBondContact O-OG 2.82Å; L114-M141 CarbonylContact C-O 3.52Å; L114-D142 HydrophobicContact CD2-CB 3.77Å
115	A	95.4	Very high	86.9	Confident	6 Å²	6	39.2 Å²	39.2	5%	0.05	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.4	-172.1	0	0	0	0	0	114.5	M141 F194 H195 A196	A115-M141 HydrophobicContact CB-CB 4.41Å; A115-M141 HydrophobicContact CB-SD 4.42Å; A115-M141 PolarHBondContact N-O 2.8Å; A115-F194 HydrophobicContact CB-CD1 3.97Å; A115-F194 HydrophobicContact CB-CE1 4Å; A115-H195 PolarHBondContact O-CD2 3.26Å; A115-A196 VanDerWaalsContact O-CB 3.31Å; A115-A196 WeakPolarHBondContact O-CB 3.42Å; A115-A196 PolarHBondContact O-N 3.45Å
116	M	95.4	Very high	87.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	19.3	174.2	-64.4	-170.2	171.2	0	0	112.5	L114 L119 I121 I138 M141 G143 W181 V182 S185 A196	L114-M116 PolarHBondContact O-N 3.29Å; L114-M116 VanDerWaalsContact O-N 3.13Å; M116-L119 HydrophobicContact CB-CD1 4.22Å; M116-L119 HydrophobicContact CG-CD1 4.46Å; M116-L119 VanDerWaalsContact O-CB 3.3Å; M116-L119 WeakPolarHBondContact O-CB 3.49Å; M116-L119 WeakPolarHBondContact O-CG 3.32Å; M116-L119 PolarHBondContact O-N 3.19Å; M116-L119 VanDerWaalsContact O-N 3.1Å; M116-I121 HydrophobicContact CB-CD1 4.41Å; M116-I121 HydrophobicContact SD-CD1 3.83Å; M116-I138 HydrophobicContact SD-CB 4.26Å; M116-I138 HydrophobicContact SD-CG1 3.94Å; M116-I138 HydrophobicContact SD-CG2 4.17Å; M116-M141 CarbonylContact C-O 3.53Å; M116-M141 WeakPolarHBondContact CA-O 3.25Å; M116-M141 HydrophobicContact CB-CB 3.89Å; M116-M141 WeakPolarHBondContact CB-O 3.4Å; M116-M141 HydrophobicContact CE-CE 3.53Å; M116-M141 HydrophobicContact CE-SD 4.14Å; M116-M141 HydrophobicContact CG-CB 3.75Å; M116-M141 HydrophobicContact CG-CE 4.49Å; M116-M141 HydrophobicContact CG-SD 4.37Å; M116-M141 PolarHBondContact N-O 3.25Å; M116-M141 HydrophobicContact SD-CB 4.19Å; M116-M141 HydrophobicContact SD-CE 3.78Å; M116-M141 HydrophobicContact SD-SD 4.41Å; M116-G143 WeakPolarHBondContact O-CA 3.41Å; M116-W181 HydrophobicContact CE-CD2 4.25Å; M116-W181 HydrophobicContact CE-CE3 3.8Å; M116-W181 HydrophobicContact CE-CH2 3.5Å; M116-W181 HydrophobicContact CE-CZ2 3.98Å; M116-W181 HydrophobicContact CE-CZ3 3.4Å; M116-W181 VanDerWaalsContact CE-CZ3 3.4Å; M116-W181 HydrophobicContact CG-CH2 4.37Å; M116-W181 HydrophobicContact SD-CH2 3.86Å; M116-W181 HydrophobicContact SD-CZ3 3.94Å; M116-V182 HydrophobicContact CE-CB 4.41Å; M116-V182 HydrophobicContact CE-CG1 4.34Å; M116-V182 HydrophobicContact CE-CG2 4.3Å; M116-S185 WeakPolarHBondContact CE-OG 3.46Å; M116-A196 HydrophobicContact CE-CB 3.9Å; M116-A196 HydrophobicContact CG-CB 3.74Å
117	S	92.3	Very high	88.1	Confident	21 Å²	21	34 Å²	34	15%	0.147	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	142.6	-179.3	73.4	0	0	0	0	111.8	L114 L119 D142 H195	L114-S117 VanDerWaalsContact O-CB 3.31Å; L114-S117 WeakPolarHBondContact O-CB 3.44Å; L114-S117 PolarHBondContact O-N 2.83Å; L114-S117 PolarHBondContact O-OG 2.82Å; S117-L119 PolarHBondContact O-N 3.12Å; S117-L119 VanDerWaalsContact O-N 3.07Å; S117-D142 WeakPolarHBondContact CB-OD2 3.31Å; S117-H195 PolarHBondContact O-CE1 2.81Å; S117-H195 PolarHBondContact O-NE2 2.85Å; S117-H195 PolarHBondContact OG-NE2 3.35Å
118	N	91.9	Very high	88.9	Confident	145 Å²	145	34.3 Å²	34.3	78%	0.775	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	10.8	-177.1	-54	-72.1	0	0	0	115.9
119	L	94.9	Very high	89.8	Confident	9 Å²	9	32.3 Å²	32.3	5%	0.047	17%	0.171	C	C	.	.			trans	-95.5	114.3	174.3	-56.9	-177.2	0	0	0	111.2	M116 S117 I121 D144 R154 W181 A196	M116-L119 HydrophobicContact CB-CD1 4.22Å; M116-L119 HydrophobicContact CG-CD1 4.46Å; M116-L119 VanDerWaalsContact O-CB 3.3Å; M116-L119 WeakPolarHBondContact O-CB 3.49Å; M116-L119 WeakPolarHBondContact O-CG 3.32Å; M116-L119 PolarHBondContact O-N 3.19Å; M116-L119 VanDerWaalsContact O-N 3.1Å; S117-L119 PolarHBondContact O-N 3.12Å; S117-L119 VanDerWaalsContact O-N 3.07Å; L119-I121 HydrophobicContact CB-CD1 3.81Å; L119-I121 HydrophobicContact CB-CG1 3.94Å; L119-D144 PolarHBondContact O-N 2.78Å; L119-R154 HydrophobicContact CD2-CB 4.1Å; L119-R154 HydrophobicContact CD2-CG 4.49Å; L119-W181 HydrophobicContact CD1-CH2 4.07Å; L119-W181 HydrophobicContact CD1-CZ2 4.1Å; L119-A196 HydrophobicContact CD1-CB 4.39Å
120	K	94.8	Very high	90.7	Very high	56 Å²	56	32.4 Å²	32.4	24%	0.243	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.3	163.6	-70.2	-170.3	174.7	-170.3	0	109.3	D144 Q146 E152 C153 R154	K120-D144 CarbonylContact C-O 3.51Å; K120-D144 WeakPolarHBondContact CA-O 3.19Å; K120-D144 WeakPolarHBondContact CE-OD2 3.3Å; K120-D144 HydrophobicContact CG-CB 4.04Å; K120-D144 WeakPolarHBondContact CG-OD2 3.31Å; K120-Q146 HydrophobicContact CB-CG 4.1Å; K120-Q146 HydrophobicContact CD-CG 4.31Å; K120-Q146 HydrophobicContact CG-CG 4.36Å; K120-E152 HydrophobicContact CD-CB 3.7Å; K120-E152 IonicContact NZ-OE2 2.64Å; K120-E152 PolarHBondContact NZ-OE2 2.87Å; K120-C153 CarbonylContact O-C 3.59Å; K120-C153 WeakPolarHBondContact O-CA 3.48Å; K120-R154 PolarHBondContact O-N 3.47Å
121	I	96.6	Very high	90.8	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.9	-169.4	-60.2	152.2	0	0	0	109	M116 L119 I138 D144 Q146 V155 I157 W181	M116-I121 HydrophobicContact CB-CD1 4.41Å; M116-I121 HydrophobicContact SD-CD1 3.83Å; L119-I121 HydrophobicContact CB-CD1 3.81Å; L119-I121 HydrophobicContact CB-CG1 3.94Å; I121-I138 HydrophobicContact CB-CD1 4.5Å; I121-I138 HydrophobicContact CB-CG2 4.47Å; I121-I138 HydrophobicContact CD1-CG1 4.37Å; I121-I138 HydrophobicContact CD1-CG2 3.51Å; I121-I138 HydrophobicContact CG2-CD1 3.89Å; I121-D144 PolarHBondContact N-O 2.8Å; I121-Q146 PolarHBondContact O-N 3.37Å; I121-V155 WeakPolarHBondContact CA-O 3.44Å; I121-V155 HydrophobicContact CG1-CB 4.26Å; I121-I157 HydrophobicContact CG2-CD1 3.6Å; I121-I157 HydrophobicContact CG2-CG1 3.95Å; I121-W181 HydrophobicContact CD1-CH2 3.79Å; I121-W181 HydrophobicContact CD1-CZ3 3.97Å; I121-W181 HydrophobicContact CG1-CH2 4.23Å; I121-W181 HydrophobicContact CG1-CZ3 4.38Å; I121-W181 HydrophobicContact CG2-CZ3 4.43Å
122	T	93.2	Very high	90.8	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	162.4	173.8	-164.1	0	0	0	0	111.3	Q146 L149 V155 L156 I157	T122-Q146 WeakPolarHBondContact CA-O 3.48Å; T122-Q146 WeakPolarHBondContact CB-O 3.18Å; T122-Q146 PolarHBondContact OG1-O 3.3Å; T122-L149 HydrophobicContact CG2-CB 4.09Å; T122-L149 HydrophobicContact CG2-CD1 3.62Å; T122-L149 HydrophobicContact CG2-CG 4.47Å; T122-V155 PolarHBondContact N-O 3.25Å; T122-L156 HydrophobicContact CG2-CD1 3.51Å; T122-I157 PolarHBondContact O-N 3.04Å
123	C	93.3	Very high	90.6	Very high	12 Å²	12	42.2 Å²	42.2	8%	0.081	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	144.3	-176.4	-63.3	0	0	0	0	111.6	V126 R131 H135 I157	C123-V126 HydrophobicContact CB-CB 4.49Å; C123-V126 HydrophobicContact CB-CG2 4.05Å; C123-R131 HydrophobicContact CB-CG 4.08Å; C123-H135 PolarHBondContact SG-NE2 2.78Å; C123-I157 CarbonylContact C-O 3.05Å; C123-I157 WeakPolarHBondContact CA-O 3.33Å
124	T	88.5	Confident	90.7	Very high	10 Å²	10	42.1 Å²	42.1	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.5	170.5	-168.5	0	0	0	0	112.4	V126 L156 I157 A158 Q159 S163	T124-V126 WeakPolarHBondContact O-CG2 3.36Å; T124-V126 PolarHBondContact O-N 2.75Å; T124-L156 HydrophobicContact CG2-CD1 3.9Å; T124-L156 HydrophobicContact CG2-CD2 3.95Å; T124-L156 HydrophobicContact CG2-CG 4.1Å; T124-I157 PolarHBondContact N-O 3.45Å; T124-A158 HydrophobicContact CG2-CB 3.7Å; T124-Q159 PolarHBondContact O-N 2.82Å; T124-S163 WeakPolarHBondContact OG1-CB 3.48Å; T124-S163 PolarHBondContact OG1-OG 2.99Å
125	N	84.8	Confident	90.7	Very high	70 Å²	70	42.3 Å²	42.3	37%	0.374	21%	0.214	S	C	.	.	S	Bend	trans	51.4	19.4	-178.5	-69.6	50.8	0	0	0	114.9	E160 S163	N125-E160 HydrophobicContact CB-CB 3.75Å; N125-E160 HydrophobicContact CB-CG 4.19Å; N125-E160 PolarHBondContact ND2-OE2 3.48Å; N125-S163 WeakPolarHBondContact OD1-CB 3.34Å
126	V	86	Confident	90.6	Very high	16 Å²	16	44.1 Å²	44.1	10%	0.097	23%	0.227	C	C	.	.			trans	-86.6	132.6	171.7	-171.4	0	0	0	0	108.3	C123 T124 T130 R131 L134 I157 Q159	C123-V126 HydrophobicContact CB-CB 4.49Å; C123-V126 HydrophobicContact CB-CG2 4.05Å; T124-V126 WeakPolarHBondContact O-CG2 3.36Å; T124-V126 PolarHBondContact O-N 2.75Å; V126-T130 HydrophobicContact CG1-CG2 3.67Å; V126-R131 HydrophobicContact CB-CB 4.17Å; V126-R131 HydrophobicContact CG1-CB 3.86Å; V126-L134 HydrophobicContact CG1-CD1 3.96Å; V126-I157 HydrophobicContact CG2-CG2 4.32Å; V126-Q159 HydrophobicContact CG2-CB 4.08Å
127	D	85.7	Confident	90.6	Very high	71 Å²	71	45.1 Å²	45.1	38%	0.38	23%	0.232	S	C	.	.			trans	-61.4	156.6	174.4	80.9	80.9	0	0	0	111.4	N129 T130 R131	D127-N129 VanDerWaalsContact C-N 3.29Å; D127-N129 PolarHBondContact O-N 3.33Å; D127-N129 WeakPolarHBondContact OD1-CA 3.29Å; D127-N129 WeakPolarHBondContact OD1-CB 3.41Å; D127-N129 PolarHBondContact OD1-N 2.74Å; D127-T130 PolarHBondContact O-N 2.74Å; D127-T130 PolarHBondContact OD1-N 2.85Å; D127-T130 WeakPolarHBondContact OD2-CB 3.32Å; D127-T130 PolarHBondContact OD2-OG1 3.09Å; D127-R131 WeakPolarHBondContact O-CB 3.39Å; D127-R131 PolarHBondContact O-N 3.15Å
128	R	82.7	Confident	90.7	Very high	83 Å²	83	44.1 Å²	44.1	31%	0.313	23%	0.225	S	C	.	.	H	α-helix	trans	-57.4	-40.9	-173.9	-170.9	179.4	-165	-170.7	10.1	113	D132 A560 T561	R128-D132 IonicContact NE-OD2 2.76Å; R128-D132 WeakPolarHBondContact O-CB 3.34Å; R128-D132 PolarHBondContact O-N 2.94Å; R128-A560 PolarHBondContact NH1-O 2.9Å; R128-A560 VanDerWaalsContact NH2-C 3.25Å; R128-A560 PolarHBondContact NH2-O 2.78Å; R128-T561 VanDerWaalsContact NH1-CA 3.3Å; R128-T561 PolarHBondContact NH1-OG1 2.95Å
129	N	82.5	Confident	90.8	Very high	82 Å²	82	42 Å²	42	44%	0.439	21%	0.21	S	C	.	.	H	α-helix	trans	-72.3	-47.7	-173.5	-61	-5.7	0	0	0	110.3	D127 R131 D132 I133 N558	D127-N129 VanDerWaalsContact C-N 3.29Å; D127-N129 PolarHBondContact O-N 3.33Å; D127-N129 WeakPolarHBondContact OD1-CA 3.29Å; D127-N129 WeakPolarHBondContact OD1-CB 3.41Å; D127-N129 PolarHBondContact OD1-N 2.74Å; N129-R131 VanDerWaalsContact C-N 3.33Å; N129-R131 PolarHBondContact O-N 3.17Å; N129-D132 PolarHBondContact O-N 3.13Å; N129-I133 WeakPolarHBondContact O-CG1 3.18Å; N129-I133 PolarHBondContact O-N 3.33Å; N129-N558 PolarHBondContact OD1-ND2 3.11Å
130	T	87.1	Confident	90.8	Very high	45 Å²	45	44 Å²	44	28%	0.276	22%	0.217	S	C	.	.	H	α-helix	trans	-60.5	-44.5	174.8	-58.6	0	0	0	0	110.6	V126 D127 D132 I133 L134	V126-T130 HydrophobicContact CG1-CG2 3.67Å; D127-T130 PolarHBondContact O-N 2.74Å; D127-T130 PolarHBondContact OD1-N 2.85Å; D127-T130 WeakPolarHBondContact OD2-CB 3.32Å; D127-T130 PolarHBondContact OD2-OG1 3.09Å; T130-D132 PolarHBondContact O-N 2.67Å; T130-I133 PolarHBondContact O-N 2.86Å; T130-L134 HydrophobicContact CG2-CD1 4.03Å; T130-L134 HydrophobicContact CG2-CG 4.27Å; T130-L134 VanDerWaalsContact O-CG 3.28Å; T130-L134 WeakPolarHBondContact O-CG 3.41Å; T130-L134 PolarHBondContact O-N 3.07Å
131	R	90	Very high	90.8	Very high	90 Å²	90	41.4 Å²	41.4	34%	0.34	21%	0.206	S	C	.	.	H	α-helix	trans	-60	-46.2	179.6	-173.9	-170.9	67.8	-169.2	0.4	112.6	C123 V126 D127 N129 I133 L134 H135	C123-R131 HydrophobicContact CB-CG 4.08Å; V126-R131 HydrophobicContact CB-CB 4.17Å; V126-R131 HydrophobicContact CG1-CB 3.86Å; D127-R131 WeakPolarHBondContact O-CB 3.39Å; D127-R131 PolarHBondContact O-N 3.15Å; N129-R131 VanDerWaalsContact C-N 3.33Å; N129-R131 PolarHBondContact O-N 3.17Å; R131-I133 VanDerWaalsContact C-N 3.29Å; R131-I133 PolarHBondContact O-N 3.1Å; R131-L134 PolarHBondContact O-N 2.72Å; R131-H135 VanDerWaalsContact CG-NE2 3.31Å; R131-H135 WeakPolarHBondContact CG-NE2 3.16Å; R131-H135 WeakPolarHBondContact O-CB 3.42Å; R131-H135 PolarHBondContact O-CD2 3.13Å; R131-H135 PolarHBondContact O-N 3.03Å
132	D	89.5	Confident	90.6	Very high	34 Å²	34	43.1 Å²	43.1	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-32.5	-177.4	-61.7	-12.5	0	0	0	111	R128 N129 T130 S136 A560	R128-D132 IonicContact NE-OD2 2.76Å; R128-D132 WeakPolarHBondContact O-CB 3.34Å; R128-D132 PolarHBondContact O-N 2.94Å; N129-D132 PolarHBondContact O-N 3.13Å; T130-D132 PolarHBondContact O-N 2.67Å; D132-S136 PolarHBondContact O-N 3.4Å; D132-S136 PolarHBondContact O-OG 3.38Å; D132-A560 WeakPolarHBondContact OD2-CB 3.46Å
133	I	91.5	Very high	90.7	Very high	99 Å²	99	43.3 Å²	43.3	51%	0.508	22%	0.217	S	C	.	.	H	α-helix	trans	-66	-51.6	170.4	-66.4	165.8	0	0	0	110.9	N129 T130 R131 H135 S136 M137	N129-I133 WeakPolarHBondContact O-CG1 3.18Å; N129-I133 PolarHBondContact O-N 3.33Å; T130-I133 PolarHBondContact O-N 2.86Å; R131-I133 VanDerWaalsContact C-N 3.29Å; R131-I133 PolarHBondContact O-N 3.1Å; I133-H135 VanDerWaalsContact C-N 3.3Å; I133-H135 PolarHBondContact O-N 3.04Å; I133-S136 WeakPolarHBondContact O-CB 3.28Å; I133-S136 PolarHBondContact O-N 2.91Å; I133-S136 VanDerWaalsContact O-N 3.14Å; I133-M137 HydrophobicContact CG2-CG 4.48Å; I133-M137 HydrophobicContact CG2-SD 3.82Å; I133-M137 WeakPolarHBondContact O-CG 3.29Å; I133-M137 PolarHBondContact O-N 3.45Å
134	L	94.6	Very high	90.6	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-56.5	-45	178.1	-67.8	171.2	0	0	0	111.4	V126 T130 R131 S136 M137 I138 I157 P179 V182	V126-L134 HydrophobicContact CG1-CD1 3.96Å; T130-L134 HydrophobicContact CG2-CD1 4.03Å; T130-L134 HydrophobicContact CG2-CG 4.27Å; T130-L134 VanDerWaalsContact O-CG 3.28Å; T130-L134 WeakPolarHBondContact O-CG 3.41Å; T130-L134 PolarHBondContact O-N 3.07Å; R131-L134 PolarHBondContact O-N 2.72Å; L134-S136 VanDerWaalsContact C-N 3.3Å; L134-S136 PolarHBondContact O-N 2.86Å; L134-M137 PolarHBondContact O-N 3.29Å; L134-I138 HydrophobicContact CB-CD1 4.45Å; L134-I138 WeakPolarHBondContact O-CB 3.45Å; L134-I138 WeakPolarHBondContact O-CD1 3.19Å; L134-I138 WeakPolarHBondContact O-CG1 3.37Å; L134-I138 PolarHBondContact O-N 3.02Å; L134-I157 HydrophobicContact CD1-CG2 4.22Å; L134-P179 HydrophobicContact CD1-CB 3.98Å; L134-P179 HydrophobicContact CD1-CG 4.28Å; L134-P179 HydrophobicContact CD2-CB 4.17Å; L134-V182 HydrophobicContact CD2-CB 3.67Å; L134-V182 HydrophobicContact CD2-CG1 4.05Å; L134-V182 HydrophobicContact CD2-CG2 3.87Å
135	H	94.2	Very high	90.8	Very high	34 Å²	34	45.8 Å²	45.8	16%	0.157	23%	0.23	C	C	.	.	H	α-helix	trans	-58	-43.2	178	-71.8	-171.1	0	0	0	112	C123 R131 I133 I138 Q139 V145	C123-H135 PolarHBondContact SG-NE2 2.78Å; R131-H135 VanDerWaalsContact CG-NE2 3.31Å; R131-H135 WeakPolarHBondContact CG-NE2 3.16Å; R131-H135 WeakPolarHBondContact O-CB 3.42Å; R131-H135 PolarHBondContact O-CD2 3.13Å; R131-H135 PolarHBondContact O-N 3.03Å; I133-H135 VanDerWaalsContact C-N 3.3Å; I133-H135 PolarHBondContact O-N 3.04Å; H135-I138 PolarHBondContact O-N 3.39Å; H135-Q139 WeakPolarHBondContact O-CG 3.44Å; H135-Q139 PolarHBondContact O-N 2.82Å; H135-V145 HydrophobicContact CB-CG1 4.13Å; H135-V145 HydrophobicContact CB-CG2 4.23Å; H135-V145 VanDerWaalsContact CD2-CG1 3.49Å; H135-V145 WeakPolarHBondContact CD2-CG1 3.35Å
136	S	92.7	Very high	91.1	Very high	45 Å²	45	44.7 Å²	44.7	32%	0.315	22%	0.223	S	C	.	.	H	α-helix	trans	-62.7	-47.7	177.5	-52.4	0	0	0	0	110.8	D132 I133 L134 I138 Q139 W140	D132-S136 PolarHBondContact O-N 3.4Å; D132-S136 PolarHBondContact O-OG 3.38Å; I133-S136 WeakPolarHBondContact O-CB 3.28Å; I133-S136 PolarHBondContact O-N 2.91Å; I133-S136 VanDerWaalsContact O-N 3.14Å; L134-S136 VanDerWaalsContact C-N 3.3Å; L134-S136 PolarHBondContact O-N 2.86Å; S136-I138 PolarHBondContact O-N 3.02Å; S136-Q139 PolarHBondContact O-N 3.46Å; S136-W140 VanDerWaalsContact O-CD1 3.23Å; S136-W140 PolarHBondContact O-N 3.21Å
137	M	95	Very high	91.1	Very high	21 Å²	21	53.8 Å²	53.8	10%	0.103	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-37.7	179	-63.7	175.3	78.1	0	0	112.8	I133 L134 W140 M141 V182 L183 W186	I133-M137 HydrophobicContact CG2-CG 4.48Å; I133-M137 HydrophobicContact CG2-SD 3.82Å; I133-M137 WeakPolarHBondContact O-CG 3.29Å; I133-M137 PolarHBondContact O-N 3.45Å; L134-M137 PolarHBondContact O-N 3.29Å; M137-W140 HydrophobicContact CG-CE3 4.45Å; M137-W140 PolarHBondContact O-N 3.06Å; M137-M141 HydrophobicContact CB-CE 4.29Å; M137-M141 WeakPolarHBondContact O-CE 3.5Å; M137-M141 WeakPolarHBondContact O-CG 3.49Å; M137-M141 PolarHBondContact O-N 2.85Å; M137-V182 HydrophobicContact CB-CG1 3.75Å; M137-L183 HydrophobicContact CE-CD2 3.83Å; M137-L183 HydrophobicContact SD-CD2 3.78Å; M137-W186 HydrophobicContact CE-CB 3.4Å; M137-W186 HydrophobicContact CE-CD2 4.16Å; M137-W186 HydrophobicContact CE-CG 3.39Å
138	I	95.5	Very high	90.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-47.8	175.1	-70.3	160.1	0	0	0	110.3	M116 I121 L134 H135 S136 W140 M141 D142 G143 V145 I157 V182	M116-I138 HydrophobicContact SD-CB 4.26Å; M116-I138 HydrophobicContact SD-CG1 3.94Å; M116-I138 HydrophobicContact SD-CG2 4.17Å; I121-I138 HydrophobicContact CB-CD1 4.5Å; I121-I138 HydrophobicContact CB-CG2 4.47Å; I121-I138 HydrophobicContact CD1-CG1 4.37Å; I121-I138 HydrophobicContact CD1-CG2 3.51Å; I121-I138 HydrophobicContact CG2-CD1 3.89Å; L134-I138 HydrophobicContact CB-CD1 4.45Å; L134-I138 WeakPolarHBondContact O-CB 3.45Å; L134-I138 WeakPolarHBondContact O-CD1 3.19Å; L134-I138 WeakPolarHBondContact O-CG1 3.37Å; L134-I138 PolarHBondContact O-N 3.02Å; H135-I138 PolarHBondContact O-N 3.39Å; S136-I138 PolarHBondContact O-N 3.02Å; I138-W140 VanDerWaalsContact C-N 3.33Å; I138-W140 PolarHBondContact O-N 2.99Å; I138-M141 CarbonylContact O-C 3.5Å; I138-M141 WeakPolarHBondContact O-CA 3.48Å; I138-M141 PolarHBondContact O-N 3.3Å; I138-D142 PolarHBondContact O-N 2.75Å; I138-G143 WeakPolarHBondContact O-CA 3.47Å; I138-G143 PolarHBondContact O-N 2.95Å; I138-V145 HydrophobicContact CB-CG2 3.89Å; I138-V145 HydrophobicContact CD1-CG2 4.36Å; I138-V145 HydrophobicContact CG2-CG2 3.59Å; I138-I157 HydrophobicContact CD1-CD1 3.71Å; I138-V182 HydrophobicContact CD1-CG2 4.11Å; I138-V182 HydrophobicContact CG1-CG1 3.91Å; I138-V182 HydrophobicContact CG1-CG2 3.97Å
139	Q	93.4	Very high	91	Very high	101 Å²	101	49.5 Å²	49.5	47%	0.472	24%	0.241	S	C	.	.	H	α-helix	trans	-62.5	-40.5	178.1	-72.5	175.2	-30.1	0	0	111.6	H135 S136 M141 D142 V145	H135-Q139 WeakPolarHBondContact O-CG 3.44Å; H135-Q139 PolarHBondContact O-N 2.82Å; S136-Q139 PolarHBondContact O-N 3.46Å; Q139-M141 PolarHBondContact O-N 3.39Å; Q139-D142 PolarHBondContact O-N 3.46Å; Q139-V145 HydrophobicContact CG-CG2 3.98Å
140	W	94.5	Very high	91	Very high	51 Å²	51	46.7 Å²	46.7	19%	0.193	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-16.3	173.7	-58.6	-13.8	0	0	0	113.4	F73 F78 F112 C113 S136 M137 I138 W186	F73-W140 HydrophobicContact CD2-CB 4.08Å; F73-W140 AromaticContact CD2-CD1 3.98Å; F73-W140 AromaticContact CD2-CD2 3.75Å; F73-W140 HydrophobicContact CD2-CD2 3.75Å; F73-W140 HydrophobicContact CD2-CE3 4.21Å; F73-W140 AromaticContact CD2-CG 3.67Å; F73-W140 HydrophobicContact CD2-CG 3.67Å; F73-W140 HydrophobicContact CE2-CB 4.08Å; F73-W140 AromaticContact CE2-CD1 3.97Å; F73-W140 HydrophobicContact CE2-CD2 4.44Å; F73-W140 AromaticContact CE2-CG 3.9Å; F73-W140 HydrophobicContact CE2-CG 3.9Å; F78-W140 HydrophobicContact CE1-CH2 4.27Å; F78-W140 AromaticContact CE1-CZ2 3.95Å; F78-W140 HydrophobicContact CE1-CZ2 3.95Å; F78-W140 HydrophobicContact CZ-CH2 4.39Å; F78-W140 AromaticContact CZ-CZ2 3.75Å; F78-W140 HydrophobicContact CZ-CZ2 3.75Å; F112-W140 WeakPolarHBondContact CA-O 3.41Å; F112-W140 HydrophobicContact CB-CB 4.33Å; F112-W140 WeakPolarHBondContact CB-O 3.46Å; F112-W140 PolarHBondContact N-O 2.88Å; C113-W140 PolarHBondContact N-O 2.95Å; S136-W140 VanDerWaalsContact O-CD1 3.23Å; S136-W140 PolarHBondContact O-N 3.21Å; M137-W140 HydrophobicContact CG-CE3 4.45Å; M137-W140 PolarHBondContact O-N 3.06Å; I138-W140 VanDerWaalsContact C-N 3.33Å; I138-W140 PolarHBondContact O-N 2.99Å; W140-W186 HydrophobicContact CB-CH2 3.89Å; W140-W186 HydrophobicContact CB-CZ3 3.54Å; W140-W186 HydrophobicContact CD2-CH2 4.28Å; W140-W186 AromaticContact CE3-CH2 3.59Å; W140-W186 HydrophobicContact CE3-CH2 3.59Å; W140-W186 AromaticContact CE3-CZ2 3.81Å; W140-W186 HydrophobicContact CE3-CZ2 3.81Å; W140-W186 HydrophobicContact CE3-CZ3 4.05Å; W140-W186 HydrophobicContact CG-CH2 4.46Å; W140-W186 HydrophobicContact CG-CZ3 4.48Å; W140-W186 HydrophobicContact CZ3-CH2 4.45Å; W140-W186 HydrophobicContact CZ3-CZ2 4.25Å
141	M	95.4	Very high	90.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	15.1	173	-66	-175.5	-82.4	0	0	113.2	C113 L114 A115 M116 M137 I138 Q139 G143 V182 W186	C113-M141 CarbonylContact O-C 3.46Å; C113-M141 VanDerWaalsContact O-CA 3.3Å; C113-M141 WeakPolarHBondContact O-CA 3.28Å; L114-M141 CarbonylContact C-O 3.52Å; A115-M141 HydrophobicContact CB-CB 4.41Å; A115-M141 HydrophobicContact CB-SD 4.42Å; A115-M141 PolarHBondContact N-O 2.8Å; M116-M141 CarbonylContact C-O 3.53Å; M116-M141 WeakPolarHBondContact CA-O 3.25Å; M116-M141 HydrophobicContact CB-CB 3.89Å; M116-M141 WeakPolarHBondContact CB-O 3.4Å; M116-M141 HydrophobicContact CE-CE 3.53Å; M116-M141 HydrophobicContact CE-SD 4.14Å; M116-M141 HydrophobicContact CG-CB 3.75Å; M116-M141 HydrophobicContact CG-CE 4.49Å; M116-M141 HydrophobicContact CG-SD 4.37Å; M116-M141 PolarHBondContact N-O 3.25Å; M116-M141 HydrophobicContact SD-CB 4.19Å; M116-M141 HydrophobicContact SD-CE 3.78Å; M116-M141 HydrophobicContact SD-SD 4.41Å; M137-M141 HydrophobicContact CB-CE 4.29Å; M137-M141 WeakPolarHBondContact O-CE 3.5Å; M137-M141 WeakPolarHBondContact O-CG 3.49Å; M137-M141 PolarHBondContact O-N 2.85Å; I138-M141 CarbonylContact O-C 3.5Å; I138-M141 WeakPolarHBondContact O-CA 3.48Å; I138-M141 PolarHBondContact O-N 3.3Å; Q139-M141 PolarHBondContact O-N 3.39Å; M141-G143 VanDerWaalsContact C-N 3.26Å; M141-G143 PolarHBondContact O-N 2.85Å; M141-V182 HydrophobicContact CE-CG1 3.7Å; M141-W186 HydrophobicContact CE-CB 4.18Å; M141-W186 HydrophobicContact CE-CE3 4.29Å; M141-W186 HydrophobicContact CG-CE3 3.72Å; M141-W186 HydrophobicContact CG-CZ3 4.05Å; M141-W186 HydrophobicContact SD-CB 4.27Å; M141-W186 HydrophobicContact SD-CE3 4.02Å
142	D	93	Very high	90.5	Very high	38 Å²	38	44.8 Å²	44.8	20%	0.203	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	17.1	-176.7	-156.9	50.2	0	0	0	115.3	N111 C113 L114 S117 I138 Q139	N111-D142 WeakPolarHBondContact ND2-CB 3.5Å; N111-D142 VanDerWaalsContact ND2-CG 3.28Å; N111-D142 PolarHBondContact ND2-OD1 2.89Å; C113-D142 PolarHBondContact O-N 3.24Å; L114-D142 HydrophobicContact CD2-CB 3.77Å; S117-D142 WeakPolarHBondContact CB-OD2 3.31Å; I138-D142 PolarHBondContact O-N 2.75Å; Q139-D142 PolarHBondContact O-N 3.46Å
143	G	94.1	Very high	90.6	Very high	6 Å²	6	43.3 Å²	43.3	6%	0.062	21%	0.213	C	C	.	.			trans	-79.9	144.5	172.1	0	0	0	0	0	112.7	M116 I138 M141	M116-G143 WeakPolarHBondContact O-CA 3.41Å; I138-G143 WeakPolarHBondContact O-CA 3.47Å; I138-G143 PolarHBondContact O-N 2.95Å; M141-G143 VanDerWaalsContact C-N 3.26Å; M141-G143 PolarHBondContact O-N 2.85Å
144	D	92.3	Very high	90.7	Very high	49 Å²	49	46 Å²	46	26%	0.262	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	114.5	179.8	-178.9	34.9	0	0	0	111	L119 K120 I121 Q146	L119-D144 PolarHBondContact O-N 2.78Å; K120-D144 CarbonylContact C-O 3.51Å; K120-D144 WeakPolarHBondContact CA-O 3.19Å; K120-D144 WeakPolarHBondContact CE-OD2 3.3Å; K120-D144 HydrophobicContact CG-CB 4.04Å; K120-D144 WeakPolarHBondContact CG-OD2 3.31Å; I121-D144 PolarHBondContact N-O 2.8Å; D144-Q146 PolarHBondContact O-N 3.26Å; D144-Q146 PolarHBondContact OD2-NE2 2.87Å
145	V	93.1	Very high	90.8	Very high	25 Å²	25	46 Å²	46	15%	0.152	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	112.2	-174.1	175.9	0	0	0	0	110.8	H135 I138 Q139	H135-V145 HydrophobicContact CB-CG1 4.13Å; H135-V145 HydrophobicContact CB-CG2 4.23Å; H135-V145 VanDerWaalsContact CD2-CG1 3.49Å; H135-V145 WeakPolarHBondContact CD2-CG1 3.35Å; I138-V145 HydrophobicContact CB-CG2 3.89Å; I138-V145 HydrophobicContact CD1-CG2 4.36Å; I138-V145 HydrophobicContact CG2-CG2 3.59Å; Q139-V145 HydrophobicContact CG-CG2 3.98Å
146	Q	90.7	Very high	90.9	Very high	47 Å²	47	44.4 Å²	44.4	22%	0.22	21%	0.209	C	C	.	.			trans	-99.4	128.3	179.4	-65.7	-63.1	-26.6	0	0	110.9	K120 I121 T122 D144 V148	K120-Q146 HydrophobicContact CB-CG 4.1Å; K120-Q146 HydrophobicContact CD-CG 4.31Å; K120-Q146 HydrophobicContact CG-CG 4.36Å; I121-Q146 PolarHBondContact O-N 3.37Å; T122-Q146 WeakPolarHBondContact CA-O 3.48Å; T122-Q146 WeakPolarHBondContact CB-O 3.18Å; T122-Q146 PolarHBondContact OG1-O 3.3Å; D144-Q146 PolarHBondContact O-N 3.26Å; D144-Q146 PolarHBondContact OD2-NE2 2.87Å; Q146-V148 WeakPolarHBondContact CB-O 3.4Å
147	R	85.2	Confident	91.1	Very high	207 Å²	207	42.3 Å²	42.3	78%	0.781	19%	0.194	S	C	*	.	S	Bend	trans	-74.4	-37.2	177.1	-67.5	-176.6	179.4	-178.3	1.4	112.2	K165	R147-K165 PolarHBondContact O-NZ 2.9Å
148	V	82.2	Confident	91.1	Very high	58 Å²	58	41.3 Å²	41.3	35%	0.352	19%	0.189	S	C	.	.	S	Bend	trans	-97.7	144	176.1	-177.9	0	0	0	0	107.6	Q146 T150 A505	Q146-V148 WeakPolarHBondContact CB-O 3.4Å; V148-T150 HydrophobicContact CG1-CG2 4.49Å; V148-T150 PolarHBondContact O-N 2.93Å; V148-A505 HydrophobicContact CG1-CB 3.69Å; V148-A505 HydrophobicContact CG2-CB 4.16Å
149	L	83.5	Confident	90.9	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	21%	0.205	C	C	.	.			trans	-72.6	119.1	168.5	177.5	67	0	0	0	106.9	T122 C153 K165 A168 A169 I174 L501	T122-L149 HydrophobicContact CG2-CB 4.09Å; T122-L149 HydrophobicContact CG2-CD1 3.62Å; T122-L149 HydrophobicContact CG2-CG 4.47Å; L149-C153 HydrophobicContact CD1-CB 3.8Å; L149-K165 HydrophobicContact CB-CG 4.38Å; L149-K165 HydrophobicContact CD2-CB 4.42Å; L149-K165 WeakPolarHBondContact CD2-O 3.44Å; L149-A168 HydrophobicContact CD2-CB 3.78Å; L149-A169 HydrophobicContact CD2-CB 4.24Å; L149-I174 HydrophobicContact CD1-CD1 3.97Å; L149-L501 HydrophobicContact CB-CD2 4.18Å; L149-L501 HydrophobicContact CD2-CD2 3.65Å; L149-L501 HydrophobicContact CG-CD1 4.46Å; L149-L501 HydrophobicContact CG-CD2 3.75Å; L149-L501 VanDerWaalsContact O-CB 3.3Å; L149-L501 WeakPolarHBondContact O-CB 3.27Å; L149-L501 WeakPolarHBondContact O-CD1 3.38Å
150	T	84.3	Confident	90.8	Very high	23 Å²	23	44 Å²	44	14%	0.141	20%	0.202	C	C	.	.			trans	-116.4	170.5	177.2	67.3	0	0	0	0	110.7	V148 E152 C153	V148-T150 HydrophobicContact CG1-CG2 4.49Å; V148-T150 PolarHBondContact O-N 2.93Å; T150-E152 PolarHBondContact O-N 2.75Å; T150-E152 VanDerWaalsContact O-N 3.16Å; T150-C153 PolarHBondContact N-SG 2.87Å; T150-C153 VanDerWaalsContact O-CB 3.29Å; T150-C153 WeakPolarHBondContact O-CB 3.41Å; T150-C153 PolarHBondContact O-N 3.38Å; T150-C153 VanDerWaalsContact O-N 3.09Å
151	T	80.1	Confident	90.7	Very high	29 Å²	29	42 Å²	42	18%	0.178	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.5	-179.3	72.7	0	0	0	0	112.8	K494 I497 E498 L501	T151-K494 WeakPolarHBondContact CG2-O 3.32Å; T151-I497 VanDerWaalsContact CG2-C 3.49Å; T151-I497 HydrophobicContact CG2-CB 3.54Å; T151-I497 HydrophobicContact CG2-CG2 3.7Å; T151-E498 HydrophobicContact CG2-CB 3.65Å; T151-E498 HydrophobicContact CG2-CG 4.29Å; T151-L501 HydrophobicContact CG2-CD1 4.01Å
152	E	86.3	Confident	90.1	Very high	67 Å²	67	43.3 Å²	43.3	31%	0.313	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-11.5	-179.3	-50	-156.6	125.9	0	0	112.4	K120 T150 R154 K494	K120-E152 HydrophobicContact CD-CB 3.7Å; K120-E152 IonicContact NZ-OE2 2.64Å; K120-E152 PolarHBondContact NZ-OE2 2.87Å; T150-E152 PolarHBondContact O-N 2.75Å; T150-E152 VanDerWaalsContact O-N 3.16Å; E152-R154 PolarHBondContact O-N 2.88Å; E152-K494 IonicContact OE1-NZ 2.65Å; E152-K494 PolarHBondContact OE1-NZ 3.01Å
153	C	90.7	Very high	89.8	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.02	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	126.5	172.7	-72.8	0	0	0	0	110.4	K120 L149 T150 I174	K120-C153 CarbonylContact O-C 3.59Å; K120-C153 WeakPolarHBondContact O-CA 3.48Å; L149-C153 HydrophobicContact CD1-CB 3.8Å; T150-C153 PolarHBondContact N-SG 2.87Å; T150-C153 VanDerWaalsContact O-CB 3.29Å; T150-C153 WeakPolarHBondContact O-CB 3.41Å; T150-C153 PolarHBondContact O-N 3.38Å; T150-C153 VanDerWaalsContact O-N 3.09Å; C153-I174 HydrophobicContact CB-CD1 4.32Å; C153-I174 WeakPolarHBondContact O-CD1 3.43Å
154	R	94.5	Very high	89.2	Confident	156 Å²	156	47.6 Å²	47.6	59%	0.589	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	-19.2	-179.6	-60.1	-56.2	-175.8	80.8	-0.5	113.2	L119 K120 E152 P175	L119-R154 HydrophobicContact CD2-CB 4.1Å; L119-R154 HydrophobicContact CD2-CG 4.49Å; K120-R154 PolarHBondContact O-N 3.47Å; E152-R154 PolarHBondContact O-N 2.88Å; R154-P175 WeakPolarHBondContact O-CD 3.49Å
155	V	96.5	Very high	88.9	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	136.9	179.1	-176.2	0	0	0	0	109.9	I121 T122 P175 V177 W181 L202	I121-V155 WeakPolarHBondContact CA-O 3.44Å; I121-V155 HydrophobicContact CG1-CB 4.26Å; T122-V155 PolarHBondContact N-O 3.25Å; V155-P175 WeakPolarHBondContact CA-O 3.38Å; V155-V177 HydrophobicContact CG1-CG1 4.33Å; V155-V177 HydrophobicContact CG1-CG2 3.48Å; V155-V177 VanDerWaalsContact CG1-CG2 3.48Å; V155-W181 HydrophobicContact CB-CH2 4.41Å; V155-W181 HydrophobicContact CG1-CE3 4.46Å; V155-W181 HydrophobicContact CG1-CH2 4.25Å; V155-W181 HydrophobicContact CG1-CZ3 4.22Å; V155-W181 HydrophobicContact CG2-CH2 4.15Å; V155-W181 HydrophobicContact CG2-CZ2 4.2Å; V155-L202 HydrophobicContact CG2-CD2 4.12Å
156	L	96.3	Very high	88.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.4	167.4	175.1	67.2	0	0	0	109.4	T122 T124 A169 I174 P175 I176 V177	T122-L156 HydrophobicContact CG2-CD1 3.51Å; T124-L156 HydrophobicContact CG2-CD1 3.9Å; T124-L156 HydrophobicContact CG2-CD2 3.95Å; T124-L156 HydrophobicContact CG2-CG 4.1Å; L156-A169 HydrophobicContact CB-CB 4.21Å; L156-A169 HydrophobicContact CD2-CB 3.48Å; L156-A169 VanDerWaalsContact CD2-CB 3.48Å; L156-A169 HydrophobicContact CG-CB 4.46Å; L156-I174 HydrophobicContact CB-CG2 4.26Å; L156-P175 PolarHBondContact N-O 3.44Å; L156-I176 HydrophobicContact CB-CG1 4.37Å; L156-I176 HydrophobicContact CB-CG2 4.34Å; L156-I176 HydrophobicContact CD2-CD1 4.16Å; L156-I176 HydrophobicContact CD2-CG1 4.24Å; L156-I176 HydrophobicContact CD2-CG2 4.08Å; L156-I176 HydrophobicContact CG-CG2 4.18Å; L156-I176 CarbonylContact O-C 3.34Å; L156-I176 VanDerWaalsContact O-CA 3.31Å; L156-I176 WeakPolarHBondContact O-CA 3.34Å; L156-V177 PolarHBondContact O-N 2.88Å
157	I	97.4	Very high	88.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.7	171.1	-59.4	168.4	0	0	0	108.8	I121 T122 C123 T124 V126 L134 I138 V177 P179 W181 V182	I121-I157 HydrophobicContact CG2-CD1 3.6Å; I121-I157 HydrophobicContact CG2-CG1 3.95Å; T122-I157 PolarHBondContact O-N 3.04Å; C123-I157 CarbonylContact C-O 3.05Å; C123-I157 WeakPolarHBondContact CA-O 3.33Å; T124-I157 PolarHBondContact N-O 3.45Å; V126-I157 HydrophobicContact CG2-CG2 4.32Å; L134-I157 HydrophobicContact CD1-CG2 4.22Å; I138-I157 HydrophobicContact CD1-CD1 3.71Å; I157-V177 CarbonylContact C-O 3.49Å; I157-V177 WeakPolarHBondContact CA-O 3.38Å; I157-V177 HydrophobicContact CG1-CG2 4.1Å; I157-P179 HydrophobicContact CG2-CB 4.42Å; I157-P179 HydrophobicContact CG2-CG 3.94Å; I157-W181 HydrophobicContact CD1-CE3 4.38Å; I157-W181 HydrophobicContact CD1-CZ3 4.4Å; I157-W181 HydrophobicContact CG1-CE3 4.44Å; I157-V182 HydrophobicContact CD1-CG2 3.47Å; I157-V182 VanDerWaalsContact CD1-CG2 3.47Å
158	A	95.1	Very high	88.7	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.8	179.4	0	0	0	0	0	111.3	T124 Y166 I176 V177	T124-A158 HydrophobicContact CG2-CB 3.7Å; A158-Y166 HydrophobicContact CB-CD2 4.1Å; A158-Y166 HydrophobicContact CB-CE2 4.5Å; A158-I176 HydrophobicContact CB-CG2 3.61Å; A158-V177 PolarHBondContact N-O 2.89Å
159	Q	90.4	Very high	89	Confident	72 Å²	72	34.3 Å²	34.3	34%	0.336	17%	0.167	S	C	.	.	S	Bend	trans	-95.5	-19.8	171.5	-177.3	169.4	1.9	0	0	112.4	T124 V126 P179 L211	T124-Q159 PolarHBondContact O-N 2.82Å; V126-Q159 HydrophobicContact CG2-CB 4.08Å; Q159-P179 HydrophobicContact CB-CG 4.08Å; Q159-L211 VanDerWaalsContact O-CD2 3.26Å; Q159-L211 WeakPolarHBondContact O-CD2 3.5Å; Q159-L211 WeakPolarHBondContact O-CG 3.49Å
160	E	90.6	Very high	89.2	Confident	87 Å²	87	34.8 Å²	34.8	41%	0.407	17%	0.17	S	C	.	.	S	Bend	trans	-141.6	153.3	168.7	-51.8	174	151.5	0	0	108.8	N125 L211	N125-E160 HydrophobicContact CB-CB 3.75Å; N125-E160 HydrophobicContact CB-CG 4.19Å; N125-E160 PolarHBondContact ND2-OE2 3.48Å; E160-L211 WeakPolarHBondContact CA-O 3.33Å
161	V	93.2	Very high	89.2	Confident	7 Å²	7	37.1 Å²	37.1	4%	0.042	19%	0.192	C	C	.	.	S	Bend	trans	-87.1	178	176.3	-53.7	0	0	0	0	112.3	S163 Y166 P208 L211 L213 C289	V161-S163 PolarHBondContact O-N 2.83Å; V161-Y166 HydrophobicContact CB-CD1 4.44Å; V161-Y166 HydrophobicContact CB-CD2 4.26Å; V161-Y166 HydrophobicContact CB-CE1 4.08Å; V161-Y166 HydrophobicContact CB-CE2 3.86Å; V161-Y166 HydrophobicContact CG1-CD2 4.35Å; V161-Y166 HydrophobicContact CG1-CE1 4.44Å; V161-Y166 HydrophobicContact CG1-CE2 3.59Å; V161-P208 WeakPolarHBondContact CG1-O 3.26Å; V161-L211 HydrophobicContact CG1-CB 4.15Å; V161-L211 PolarHBondContact N-O 3.17Å; V161-L213 HydrophobicContact CG2-CD1 3.67Å; V161-L213 HydrophobicContact CG2-CD2 3.78Å; V161-L213 HydrophobicContact CG2-CG 3.6Å; V161-C289 HydrophobicContact CB-CB 3.67Å; V161-C289 HydrophobicContact CG1-CB 4.31Å; V161-C289 HydrophobicContact CG2-CB 3.6Å
162	G	83.1	Confident	89.4	Confident	28 Å²	28	38.5 Å²	38.5	29%	0.289	20%	0.201	S	C	.	.			trans	86.9	-1.2	169.2	0	0	0	0	0	116.1	H167	G162-H167 WeakPolarHBondContact CA-NE2 3.44Å; G162-H167 PolarHBondContact O-NE2 2.87Å
163	S	85.2	Confident	89.4	Confident	17 Å²	17	40.9 Å²	40.9	12%	0.119	22%	0.215	C	C	.	.			trans	-73.5	159.5	176.4	106.8	0	0	0	0	112.6	T124 N125 V161 K165 Y166 H167	T124-S163 WeakPolarHBondContact OG1-CB 3.48Å; T124-S163 PolarHBondContact OG1-OG 2.99Å; N125-S163 WeakPolarHBondContact OD1-CB 3.34Å; V161-S163 PolarHBondContact O-N 2.83Å; S163-K165 VanDerWaalsContact C-N 3.3Å; S163-K165 PolarHBondContact O-N 3.44Å; S163-K165 PolarHBondContact OG-N 2.95Å; S163-K165 VanDerWaalsContact OG-N 3.1Å; S163-Y166 WeakPolarHBondContact O-CB 3.17Å; S163-Y166 PolarHBondContact O-N 3.25Å; S163-Y166 VanDerWaalsContact O-N 3.11Å; S163-Y166 PolarHBondContact OG-N 2.93Å; S163-H167 PolarHBondContact O-CD2 3.32Å; S163-H167 VanDerWaalsContact O-CD2 3.31Å; S163-H167 PolarHBondContact O-N 2.9Å
164	K	82.1	Confident	89.5	Confident	117 Å²	117	41.7 Å²	41.7	51%	0.509	22%	0.219	S	C	.	.	H	α-helix	trans	-57.8	-41.7	171.9	-61.2	-174.4	-176.6	-176.6	0	112.3	A168 Y504	K164-A168 WeakPolarHBondContact O-CB 3.33Å; K164-A168 PolarHBondContact O-N 3.17Å; K164-Y504 HydrophobicContact CD-CD1 4.07Å; K164-Y504 HydrophobicContact CD-CE1 4.49Å
165	K	86.6	Confident	89.5	Confident	56 Å²	56	36.9 Å²	36.9	24%	0.243	21%	0.208	C	C	.	.	H	α-helix	trans	-66.2	-37.4	175.4	-68.3	-177.1	-176.9	178.3	0	111.5	R147 L149 S163 A169	R147-K165 PolarHBondContact O-NZ 2.9Å; L149-K165 HydrophobicContact CB-CG 4.38Å; L149-K165 HydrophobicContact CD2-CB 4.42Å; L149-K165 WeakPolarHBondContact CD2-O 3.44Å; S163-K165 VanDerWaalsContact C-N 3.3Å; S163-K165 PolarHBondContact O-N 3.44Å; S163-K165 PolarHBondContact OG-N 2.95Å; S163-K165 VanDerWaalsContact OG-N 3.1Å; K165-A169 WeakPolarHBondContact O-CB 3.38Å; K165-A169 PolarHBondContact O-N 3.46Å
166	Y	93.5	Very high	89.5	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-52.9	175.4	-178.8	-84.1	0	0	0	111	A158 V161 S163 A168 A169 V170 I176 C288 C289	A158-Y166 HydrophobicContact CB-CD2 4.1Å; A158-Y166 HydrophobicContact CB-CE2 4.5Å; V161-Y166 HydrophobicContact CB-CD1 4.44Å; V161-Y166 HydrophobicContact CB-CD2 4.26Å; V161-Y166 HydrophobicContact CB-CE1 4.08Å; V161-Y166 HydrophobicContact CB-CE2 3.86Å; V161-Y166 HydrophobicContact CG1-CD2 4.35Å; V161-Y166 HydrophobicContact CG1-CE1 4.44Å; V161-Y166 HydrophobicContact CG1-CE2 3.59Å; S163-Y166 WeakPolarHBondContact O-CB 3.17Å; S163-Y166 PolarHBondContact O-N 3.25Å; S163-Y166 VanDerWaalsContact O-N 3.11Å; S163-Y166 PolarHBondContact OG-N 2.93Å; Y166-A168 PolarHBondContact O-N 2.9Å; Y166-A169 PolarHBondContact O-N 3.06Å; Y166-V170 HydrophobicContact CD1-CG2 4.01Å; Y166-V170 HydrophobicContact CE1-CG2 3.62Å; Y166-V170 WeakPolarHBondContact O-CG2 3.44Å; Y166-V170 PolarHBondContact O-N 3.02Å; Y166-I176 HydrophobicContact CD2-CD1 3.83Å; Y166-I176 HydrophobicContact CD2-CG2 4.03Å; Y166-I176 HydrophobicContact CE2-CD1 3.74Å; Y166-I176 HydrophobicContact CE2-CG2 3.92Å; Y166-I176 HydrophobicContact CG-CD1 4.27Å; Y166-C288 WeakPolarHBondContact OH-CA 3.28Å; Y166-C288 WeakPolarHBondContact OH-CB 3.19Å; Y166-C289 HydrophobicContact CE1-CB 3.67Å; Y166-C289 PolarHBondContact OH-N 2.87Å
167	H	87.7	Confident	89.5	Confident	34 Å²	34	37.8 Å²	37.8	16%	0.157	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-36	-179.8	-66.1	-53.6	0	0	0	113	G162 S163 V170 A171 C289 P291	G162-H167 WeakPolarHBondContact CA-NE2 3.44Å; G162-H167 PolarHBondContact O-NE2 2.87Å; S163-H167 PolarHBondContact O-CD2 3.32Å; S163-H167 VanDerWaalsContact O-CD2 3.31Å; S163-H167 PolarHBondContact O-N 2.9Å; H167-V170 PolarHBondContact O-N 3.22Å; H167-A171 PolarHBondContact O-N 3.35Å; H167-C289 PolarHBondContact CE1-O 3.08Å; H167-C289 PolarHBondContact ND1-O 3.1Å; H167-P291 HydrophobicContact CB-CG 4.41Å
168	A	82.8	Confident	89.5	Confident	15 Å²	15	38.8 Å²	38.8	12%	0.124	22%	0.219	C	C	.	.	H	α-helix	trans	-59.4	-47.6	171.3	0	0	0	0	0	111.5	L149 K164 Y166 V170 A171 V172 L501	L149-A168 HydrophobicContact CD2-CB 3.78Å; K164-A168 WeakPolarHBondContact O-CB 3.33Å; K164-A168 PolarHBondContact O-N 3.17Å; Y166-A168 PolarHBondContact O-N 2.9Å; A168-V170 PolarHBondContact O-N 2.83Å; A168-A171 WeakPolarHBondContact O-CB 3.43Å; A168-A171 PolarHBondContact O-N 3.01Å; A168-A171 VanDerWaalsContact O-N 3.15Å; A168-V172 WeakPolarHBondContact O-CG2 3.32Å; A168-V172 PolarHBondContact O-N 3.42Å; A168-V172 VanDerWaalsContact O-N 3.15Å; A168-L501 HydrophobicContact CB-CD2 4.02Å
169	A	89.3	Confident	89.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-38.2	176	0	0	0	0	0	113.2	L149 L156 K165 Y166 A171 V172 N173 I174 I176	L149-A169 HydrophobicContact CD2-CB 4.24Å; L156-A169 HydrophobicContact CB-CB 4.21Å; L156-A169 HydrophobicContact CD2-CB 3.48Å; L156-A169 VanDerWaalsContact CD2-CB 3.48Å; L156-A169 HydrophobicContact CG-CB 4.46Å; K165-A169 WeakPolarHBondContact O-CB 3.38Å; K165-A169 PolarHBondContact O-N 3.46Å; Y166-A169 PolarHBondContact O-N 3.06Å; A169-A171 VanDerWaalsContact C-N 3.33Å; A169-A171 PolarHBondContact O-N 2.98Å; A169-V172 PolarHBondContact O-N 2.92Å; A169-N173 PolarHBondContact O-N 3.25Å; A169-I174 HydrophobicContact CB-CB 4.04Å; A169-I174 HydrophobicContact CB-CG2 4.36Å; A169-I174 PolarHBondContact O-N 3.06Å; A169-I176 HydrophobicContact CB-CD1 3.94Å; A169-I176 HydrophobicContact CB-CG1 4.15Å
170	V	88.4	Confident	89.8	Confident	15 Å²	15	43.1 Å²	43.1	9%	0.091	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-37.9	172.4	168.4	0	0	0	0	111.9	Y166 H167 A168 I176 C288	Y166-V170 HydrophobicContact CD1-CG2 4.01Å; Y166-V170 HydrophobicContact CE1-CG2 3.62Å; Y166-V170 WeakPolarHBondContact O-CG2 3.44Å; Y166-V170 PolarHBondContact O-N 3.02Å; H167-V170 PolarHBondContact O-N 3.22Å; A168-V170 PolarHBondContact O-N 2.83Å; V170-I176 HydrophobicContact CG2-CD1 3.59Å; V170-C288 VanDerWaalsContact CG1-SG 3.56Å; V170-C288 HydrophobicContact CG2-CB 3.88Å
171	A	82.5	Confident	90.1	Very high	72 Å²	72	39 Å²	39	60%	0.595	22%	0.215	S	C	*	.	H	α-helix	trans	-68.6	-39.2	179.7	0	0	0	0	0	112.2	H167 A168 A169	H167-A171 PolarHBondContact O-N 3.35Å; A168-A171 WeakPolarHBondContact O-CB 3.43Å; A168-A171 PolarHBondContact O-N 3.01Å; A168-A171 VanDerWaalsContact O-N 3.15Å; A169-A171 VanDerWaalsContact C-N 3.33Å; A169-A171 PolarHBondContact O-N 2.98Å
172	V	84.6	Confident	90.3	Very high	59 Å²	59	38.6 Å²	38.6	36%	0.358	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	11.6	178.8	-59.5	0	0	0	0	114.4	A168 A169 I174 I497	A168-V172 WeakPolarHBondContact O-CG2 3.32Å; A168-V172 PolarHBondContact O-N 3.42Å; A168-V172 VanDerWaalsContact O-N 3.15Å; A169-V172 PolarHBondContact O-N 2.92Å; V172-I174 HydrophobicContact CG2-CB 4.39Å; V172-I174 HydrophobicContact CG2-CD1 3.51Å; V172-I174 HydrophobicContact CG2-CG1 3.69Å; V172-I174 PolarHBondContact O-N 2.83Å; V172-I497 HydrophobicContact CG1-CG2 3.99Å
173	N	87.8	Confident	90.9	Very high	117 Å²	117	40.9 Å²	40.9	63%	0.626	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	33.8	-178.4	-63.6	-57.6	0	0	0	115	A169 P175	A169-N173 PolarHBondContact O-N 3.25Å; N173-P175 WeakPolarHBondContact O-CD 3.49Å
174	I	91.7	Very high	91.5	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.097	22%	0.221	C	C	.	.			trans	-69.7	128.1	169.9	-74.2	167.2	0	0	0	108.6	L149 C153 L156 A169 V172 I176	L149-I174 HydrophobicContact CD1-CD1 3.97Å; C153-I174 HydrophobicContact CB-CD1 4.32Å; C153-I174 WeakPolarHBondContact O-CD1 3.43Å; L156-I174 HydrophobicContact CB-CG2 4.26Å; A169-I174 HydrophobicContact CB-CB 4.04Å; A169-I174 HydrophobicContact CB-CG2 4.36Å; A169-I174 PolarHBondContact O-N 3.06Å; V172-I174 HydrophobicContact CG2-CB 4.39Å; V172-I174 HydrophobicContact CG2-CD1 3.51Å; V172-I174 HydrophobicContact CG2-CG1 3.69Å; V172-I174 PolarHBondContact O-N 2.83Å; I174-I176 VanDerWaalsContact O-CG1 3.31Å; I174-I176 WeakPolarHBondContact O-CG1 3.32Å; I174-I176 PolarHBondContact O-N 3.46Å
175	P	94.7	Very high	92.2	Very high	56 Å²	56	36.3 Å²	36.3	36%	0.364	20%	0.197	S	C	.	.			trans	-50.3	123.5	172.8	-29.8	34.6	0	0	0	112.7	R154 V155 L156 N173 L202	R154-P175 WeakPolarHBondContact O-CD 3.49Å; V155-P175 WeakPolarHBondContact CA-O 3.38Å; L156-P175 PolarHBondContact N-O 3.44Å; N173-P175 WeakPolarHBondContact O-CD 3.49Å; P175-L202 HydrophobicContact CB-CD1 4.48Å; P175-L202 HydrophobicContact CG-CD1 4.47Å
176	I	96.2	Very high	92.7	Very high	19 Å²	19	35.4 Å²	35.4	10%	0.097	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.7	177.2	-44.1	-176.7	0	0	0	109	L156 A158 Y166 A169 V170 I174 C207	L156-I176 HydrophobicContact CB-CG1 4.37Å; L156-I176 HydrophobicContact CB-CG2 4.34Å; L156-I176 HydrophobicContact CD2-CD1 4.16Å; L156-I176 HydrophobicContact CD2-CG1 4.24Å; L156-I176 HydrophobicContact CD2-CG2 4.08Å; L156-I176 HydrophobicContact CG-CG2 4.18Å; L156-I176 CarbonylContact O-C 3.34Å; L156-I176 VanDerWaalsContact O-CA 3.31Å; L156-I176 WeakPolarHBondContact O-CA 3.34Å; A158-I176 HydrophobicContact CB-CG2 3.61Å; Y166-I176 HydrophobicContact CD2-CD1 3.83Å; Y166-I176 HydrophobicContact CD2-CG2 4.03Å; Y166-I176 HydrophobicContact CE2-CD1 3.74Å; Y166-I176 HydrophobicContact CE2-CG2 3.92Å; Y166-I176 HydrophobicContact CG-CD1 4.27Å; A169-I176 HydrophobicContact CB-CD1 3.94Å; A169-I176 HydrophobicContact CB-CG1 4.15Å; V170-I176 HydrophobicContact CG2-CD1 3.59Å; I174-I176 VanDerWaalsContact O-CG1 3.31Å; I174-I176 WeakPolarHBondContact O-CG1 3.32Å; I174-I176 PolarHBondContact O-N 3.46Å; I176-C207 HydrophobicContact CB-CB 4.17Å; I176-C207 HydrophobicContact CG2-CB 3.73Å; I176-C207 WeakPolarHBondContact O-CB 3.48Å; I176-C207 PolarHBondContact O-N 3.15Å
177	V	97.5	Very high	92.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	161.4	-175.9	-59.5	0	0	0	0	111.6	V155 L156 I157 A158 W181 L202 F205	V155-V177 HydrophobicContact CG1-CG1 4.33Å; V155-V177 HydrophobicContact CG1-CG2 3.48Å; V155-V177 VanDerWaalsContact CG1-CG2 3.48Å; L156-V177 PolarHBondContact O-N 2.88Å; I157-V177 CarbonylContact C-O 3.49Å; I157-V177 WeakPolarHBondContact CA-O 3.38Å; I157-V177 HydrophobicContact CG1-CG2 4.1Å; A158-V177 PolarHBondContact N-O 2.89Å; V177-W181 HydrophobicContact CB-CB 3.98Å; V177-W181 HydrophobicContact CB-CG 4.17Å; V177-W181 HydrophobicContact CG1-CG 4.41Å; V177-W181 HydrophobicContact CG2-CB 3.77Å; V177-W181 HydrophobicContact CG2-CD2 3.85Å; V177-W181 HydrophobicContact CG2-CE3 3.9Å; V177-W181 HydrophobicContact CG2-CG 3.81Å; V177-L202 HydrophobicContact CG1-CD2 3.92Å; V177-F205 CarbonylContact C-O 3.54Å; V177-F205 VanDerWaalsContact CA-O 3.3Å; V177-F205 WeakPolarHBondContact CA-O 3.34Å; V177-F205 WeakPolarHBondContact CB-O 3.48Å
178	T	96.6	Very high	93.1	Very high	21 Å²	21	45 Å²	45	13%	0.129	23%	0.23	C	C	.	.			trans	-81.9	159.7	174.1	66.7	0	0	0	0	111.8	R180 W181 F205 L211	T178-R180 PolarHBondContact O-N 3.43Å; T178-W181 WeakPolarHBondContact O-CB 3.21Å; T178-W181 PolarHBondContact O-N 3.23Å; T178-F205 PolarHBondContact N-O 3.32Å; T178-F205 PolarHBondContact OG1-O 3.39Å; T178-L211 HydrophobicContact CG2-CD2 4.05Å
179	P	96	Very high	93.6	Very high	20 Å²	20	46.5 Å²	46.5	13%	0.13	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-26.2	172.6	-33.4	38.4	0	0	0	115.5	L134 I157 Q159 W181 V182	L134-P179 HydrophobicContact CD1-CB 3.98Å; L134-P179 HydrophobicContact CD1-CG 4.28Å; L134-P179 HydrophobicContact CD2-CB 4.17Å; I157-P179 HydrophobicContact CG2-CB 4.42Å; I157-P179 HydrophobicContact CG2-CG 3.94Å; Q159-P179 HydrophobicContact CB-CG 4.08Å; P179-W181 PolarHBondContact O-N 2.8Å; P179-V182 PolarHBondContact O-N 2.83Å
180	R	95.7	Very high	93.6	Very high	143 Å²	143	50.9 Å²	50.9	54%	0.54	25%	0.253	S	S	.	.	H	α-helix	trans	-60.1	-31.6	177.6	-67.2	-166.8	65	170.6	-2.5	113	T178 V182 L183 E184 F205	T178-R180 PolarHBondContact O-N 3.43Å; R180-V182 VanDerWaalsContact C-N 3.26Å; R180-V182 PolarHBondContact O-N 3.29Å; R180-L183 PolarHBondContact O-N 3.07Å; R180-E184 IonicContact CZ-OE1 3.74Å; R180-E184 IonicContact NE-OE1 3.93Å; R180-E184 IonicContact NH2-OE1 3.52Å; R180-E184 PolarHBondContact NH2-OE1 3.11Å; R180-E184 VanDerWaalsContact NH2-OE1 3.08Å; R180-E184 WeakPolarHBondContact O-CG 3.33Å; R180-E184 PolarHBondContact O-N 3.02Å; R180-F205 HydrophobicContact CB-CD1 3.91Å; R180-F205 HydrophobicContact CB-CE1 4.3Å
181	W	97.6	Very high	93.8	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-52.4	-43.4	176.8	174.9	77.9	0	0	0	112.2	M116 L119 I121 V155 I157 V177 T178 P179 S185 A196 F201 L202 F205	M116-W181 HydrophobicContact CE-CD2 4.25Å; M116-W181 HydrophobicContact CE-CE3 3.8Å; M116-W181 HydrophobicContact CE-CH2 3.5Å; M116-W181 HydrophobicContact CE-CZ2 3.98Å; M116-W181 HydrophobicContact CE-CZ3 3.4Å; M116-W181 VanDerWaalsContact CE-CZ3 3.4Å; M116-W181 HydrophobicContact CG-CH2 4.37Å; M116-W181 HydrophobicContact SD-CH2 3.86Å; M116-W181 HydrophobicContact SD-CZ3 3.94Å; L119-W181 HydrophobicContact CD1-CH2 4.07Å; L119-W181 HydrophobicContact CD1-CZ2 4.1Å; I121-W181 HydrophobicContact CD1-CH2 3.79Å; I121-W181 HydrophobicContact CD1-CZ3 3.97Å; I121-W181 HydrophobicContact CG1-CH2 4.23Å; I121-W181 HydrophobicContact CG1-CZ3 4.38Å; I121-W181 HydrophobicContact CG2-CZ3 4.43Å; V155-W181 HydrophobicContact CB-CH2 4.41Å; V155-W181 HydrophobicContact CG1-CE3 4.46Å; V155-W181 HydrophobicContact CG1-CH2 4.25Å; V155-W181 HydrophobicContact CG1-CZ3 4.22Å; V155-W181 HydrophobicContact CG2-CH2 4.15Å; V155-W181 HydrophobicContact CG2-CZ2 4.2Å; I157-W181 HydrophobicContact CD1-CE3 4.38Å; I157-W181 HydrophobicContact CD1-CZ3 4.4Å; I157-W181 HydrophobicContact CG1-CE3 4.44Å; V177-W181 HydrophobicContact CB-CB 3.98Å; V177-W181 HydrophobicContact CB-CG 4.17Å; V177-W181 HydrophobicContact CG1-CG 4.41Å; V177-W181 HydrophobicContact CG2-CB 3.77Å; V177-W181 HydrophobicContact CG2-CD2 3.85Å; V177-W181 HydrophobicContact CG2-CE3 3.9Å; V177-W181 HydrophobicContact CG2-CG 3.81Å; T178-W181 WeakPolarHBondContact O-CB 3.21Å; T178-W181 PolarHBondContact O-N 3.23Å; P179-W181 PolarHBondContact O-N 2.8Å; W181-S185 VanDerWaalsContact O-CB 3.28Å; W181-S185 WeakPolarHBondContact O-CB 3.4Å; W181-S185 PolarHBondContact O-N 2.97Å; W181-S185 PolarHBondContact O-OG 3.04Å; W181-A196 HydrophobicContact CH2-CB 4.17Å; W181-A196 HydrophobicContact CZ2-CB 3.42Å; W181-A196 VanDerWaalsContact CZ2-CB 3.42Å; W181-A196 WeakPolarHBondContact CZ2-O 3.41Å; W181-A196 PolarHBondContact NE1-O 2.97Å; W181-F201 AromaticContact CD1-CD1 3.56Å; W181-F201 AromaticContact CD1-CE1 3.36Å; W181-F201 HydrophobicContact CG-CE1 4.23Å; W181-F201 AromaticContact NE1-CD1 3.53Å; W181-F201 AromaticContact NE1-CE1 3.57Å; W181-L202 HydrophobicContact CZ2-CD2 4.2Å; W181-F205 HydrophobicContact CB-CB 3.7Å; W181-F205 HydrophobicContact CB-CD2 4.44Å; W181-F205 HydrophobicContact CB-CG 4.11Å; W181-F205 HydrophobicContact CG-CB 4.41Å
182	V	97.5	Very high	93.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-69	-43.3	176.7	-174.9	0	0	0	0	111.5	M116 L134 M137 I138 M141 I157 P179 R180 S185 W186	M116-V182 HydrophobicContact CE-CB 4.41Å; M116-V182 HydrophobicContact CE-CG1 4.34Å; M116-V182 HydrophobicContact CE-CG2 4.3Å; L134-V182 HydrophobicContact CD2-CB 3.67Å; L134-V182 HydrophobicContact CD2-CG1 4.05Å; L134-V182 HydrophobicContact CD2-CG2 3.87Å; M137-V182 HydrophobicContact CB-CG1 3.75Å; I138-V182 HydrophobicContact CD1-CG2 4.11Å; I138-V182 HydrophobicContact CG1-CG1 3.91Å; I138-V182 HydrophobicContact CG1-CG2 3.97Å; M141-V182 HydrophobicContact CE-CG1 3.7Å; I157-V182 HydrophobicContact CD1-CG2 3.47Å; I157-V182 VanDerWaalsContact CD1-CG2 3.47Å; P179-V182 PolarHBondContact O-N 2.83Å; R180-V182 VanDerWaalsContact C-N 3.26Å; R180-V182 PolarHBondContact O-N 3.29Å; V182-S185 WeakPolarHBondContact O-CB 3.37Å; V182-S185 PolarHBondContact O-N 3.34Å; V182-W186 PolarHBondContact O-N 2.99Å
183	L	95.8	Very high	94.1	Very high	76 Å²	76	62.5 Å²	62.5	40%	0.398	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-42.7	-177.9	-58.9	179	0	0	0	111.9	M137 R180 W186 K187	M137-L183 HydrophobicContact CE-CD2 3.83Å; M137-L183 HydrophobicContact SD-CD2 3.78Å; R180-L183 PolarHBondContact O-N 3.07Å; L183-W186 PolarHBondContact O-N 2.87Å; L183-K187 PolarHBondContact O-N 3.01Å
184	E	97.1	Very high	94.4	Very high	37 Å²	37	57.4 Å²	57.4	17%	0.173	26%	0.261	C	S	.	.	H	α-helix	trans	-74.4	-34.6	177.6	-56.6	-61	162	0	0	111.2	R180 W186 K187 R188 F201 F205	R180-E184 IonicContact CZ-OE1 3.74Å; R180-E184 IonicContact NE-OE1 3.93Å; R180-E184 IonicContact NH2-OE1 3.52Å; R180-E184 PolarHBondContact NH2-OE1 3.11Å; R180-E184 VanDerWaalsContact NH2-OE1 3.08Å; R180-E184 WeakPolarHBondContact O-CG 3.33Å; R180-E184 PolarHBondContact O-N 3.02Å; E184-W186 VanDerWaalsContact C-N 3.31Å; E184-W186 PolarHBondContact O-N 3.28Å; E184-K187 WeakPolarHBondContact O-CB 3.29Å; E184-K187 PolarHBondContact O-N 3.18Å; E184-K187 IonicContact OE1-NZ 3.61Å; E184-K187 PolarHBondContact OE1-NZ 3.1Å; E184-K187 VanDerWaalsContact OE2-CD 3.28Å; E184-K187 WeakPolarHBondContact OE2-CD 3.31Å; E184-K187 WeakPolarHBondContact OE2-CE 3.45Å; E184-K187 IonicContact OE2-NZ 2.78Å; E184-K187 PolarHBondContact OE2-NZ 3.5Å; E184-R188 PolarHBondContact O-N 3.45Å; E184-F201 HydrophobicContact CB-CE2 4.42Å; E184-F201 HydrophobicContact CB-CZ 4.05Å; E184-F205 HydrophobicContact CB-CE1 4.34Å; E184-F205 HydrophobicContact CB-CE2 4.21Å; E184-F205 HydrophobicContact CB-CZ 3.85Å; E184-F205 HydrophobicContact CG-CE1 3.68Å; E184-F205 HydrophobicContact CG-CE2 4.42Å; E184-F205 HydrophobicContact CG-CZ 3.61Å
185	S	97	Very high	94.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.6	-44.4	170	-62.4	0	0	0	0	111.5	M116 W181 V182 K187 R188 R189 F201	M116-S185 WeakPolarHBondContact CE-OG 3.46Å; W181-S185 VanDerWaalsContact O-CB 3.28Å; W181-S185 WeakPolarHBondContact O-CB 3.4Å; W181-S185 PolarHBondContact O-N 2.97Å; W181-S185 PolarHBondContact O-OG 3.04Å; V182-S185 WeakPolarHBondContact O-CB 3.37Å; V182-S185 PolarHBondContact O-N 3.34Å; S185-K187 VanDerWaalsContact C-N 3.29Å; S185-K187 PolarHBondContact O-N 3.43Å; S185-R188 CarbonylContact O-C 3.59Å; S185-R188 WeakPolarHBondContact O-CA 3.46Å; S185-R188 PolarHBondContact O-N 3.18Å; S185-R189 PolarHBondContact O-N 3.15Å; S185-F201 VanDerWaalsContact OG-CE1 3.27Å; S185-F201 WeakPolarHBondContact OG-CE1 3.42Å
186	W	96.1	Very high	94.6	Very high	37 Å²	37	56 Å²	56	14%	0.14	25%	0.25	C	C	.	.	H	α-helix	trans	-65.8	-28.5	178.9	-176	-104.3	0	0	0	113.3	F73 F112 M137 W140 M141 V182 L183 E184 R188 R189	F73-W186 HydrophobicContact CD2-CH2 4.3Å; F112-W186 HydrophobicContact CB-CH2 3.73Å; F112-W186 HydrophobicContact CB-CZ3 3.85Å; F112-W186 HydrophobicContact CD1-CH2 4.18Å; F112-W186 HydrophobicContact CD1-CZ3 4.38Å; F112-W186 HydrophobicContact CD2-CH2 4.22Å; F112-W186 AromaticContact CG-CH2 3.75Å; F112-W186 HydrophobicContact CG-CH2 3.75Å; F112-W186 HydrophobicContact CG-CZ3 4.17Å; M137-W186 HydrophobicContact CE-CB 3.4Å; M137-W186 HydrophobicContact CE-CD2 4.16Å; M137-W186 HydrophobicContact CE-CG 3.39Å; W140-W186 HydrophobicContact CB-CH2 3.89Å; W140-W186 HydrophobicContact CB-CZ3 3.54Å; W140-W186 HydrophobicContact CD2-CH2 4.28Å; W140-W186 AromaticContact CE3-CH2 3.59Å; W140-W186 HydrophobicContact CE3-CH2 3.59Å; W140-W186 AromaticContact CE3-CZ2 3.81Å; W140-W186 HydrophobicContact CE3-CZ2 3.81Å; W140-W186 HydrophobicContact CE3-CZ3 4.05Å; W140-W186 HydrophobicContact CG-CH2 4.46Å; W140-W186 HydrophobicContact CG-CZ3 4.48Å; W140-W186 HydrophobicContact CZ3-CH2 4.45Å; W140-W186 HydrophobicContact CZ3-CZ2 4.25Å; M141-W186 HydrophobicContact CE-CB 4.18Å; M141-W186 HydrophobicContact CE-CE3 4.29Å; M141-W186 HydrophobicContact CG-CE3 3.72Å; M141-W186 HydrophobicContact CG-CZ3 4.05Å; M141-W186 HydrophobicContact SD-CB 4.27Å; M141-W186 HydrophobicContact SD-CE3 4.02Å; V182-W186 PolarHBondContact O-N 2.99Å; L183-W186 PolarHBondContact O-N 2.87Å; E184-W186 VanDerWaalsContact C-N 3.31Å; E184-W186 PolarHBondContact O-N 3.28Å; W186-R188 VanDerWaalsContact C-N 3.25Å; W186-R188 PolarHBondContact O-N 3.25Å; W186-R189 VanDerWaalsContact CE2-CD 3.49Å; W186-R189 HydrophobicContact CE3-CB 4.28Å; W186-R189 VanDerWaalsContact O-CB 3.28Å; W186-R189 WeakPolarHBondContact O-CB 3.33Å; W186-R189 VanDerWaalsContact O-CD 3.3Å; W186-R189 WeakPolarHBondContact O-CD 3.46Å; W186-R189 WeakPolarHBondContact O-CG 3.34Å; W186-R189 PolarHBondContact O-N 3.29Å; W186-R189 PolarHBondContact O-NH1 3.03Å
187	K	95.1	Very high	94.6	Very high	131 Å²	131	57.4 Å²	57.4	57%	0.57	26%	0.261	S	S	*	.	H	α-helix	trans	-65.4	-32.1	170.8	-64.9	-177.7	-158.9	163.9	0	111.7	L183 E184 S185	L183-K187 PolarHBondContact O-N 3.01Å; E184-K187 WeakPolarHBondContact O-CB 3.29Å; E184-K187 PolarHBondContact O-N 3.18Å; E184-K187 IonicContact OE1-NZ 3.61Å; E184-K187 PolarHBondContact OE1-NZ 3.1Å; E184-K187 VanDerWaalsContact OE2-CD 3.28Å; E184-K187 WeakPolarHBondContact OE2-CD 3.31Å; E184-K187 WeakPolarHBondContact OE2-CE 3.45Å; E184-K187 IonicContact OE2-NZ 2.78Å; E184-K187 PolarHBondContact OE2-NZ 3.5Å; S185-K187 VanDerWaalsContact C-N 3.29Å; S185-K187 PolarHBondContact O-N 3.43Å
188	R	94.4	Very high	94.4	Very high	107 Å²	107	60.2 Å²	60.2	40%	0.404	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	10.3	176.1	-61.8	-171.5	72.4	170.3	-0.7	114.4	E184 S185 W186 H190 D191 F194	E184-R188 PolarHBondContact O-N 3.45Å; S185-R188 CarbonylContact O-C 3.59Å; S185-R188 WeakPolarHBondContact O-CA 3.46Å; S185-R188 PolarHBondContact O-N 3.18Å; W186-R188 VanDerWaalsContact C-N 3.25Å; W186-R188 PolarHBondContact O-N 3.25Å; R188-H190 PolarHBondContact O-N 3Å; R188-D191 HydrophobicContact CB-CB 4.4Å; R188-D191 IonicContact CZ-OD2 2.75Å; R188-D191 IonicContact NE-OD2 2.82Å; R188-D191 PolarHBondContact NE-OD2 2.77Å; R188-D191 IonicContact NH2-OD2 3.44Å; R188-D191 PolarHBondContact NH2-OD2 3.05Å; R188-D191 WeakPolarHBondContact O-CB 3.34Å; R188-D191 PolarHBondContact O-N 2.97Å; R188-F194 HydrophobicContact CB-CB 4.37Å; R188-F194 HydrophobicContact CB-CD1 3.51Å; R188-F194 HydrophobicContact CB-CD2 4.43Å; R188-F194 HydrophobicContact CB-CE1 3.85Å; R188-F194 HydrophobicContact CB-CG 3.83Å; R188-F194 HydrophobicContact CB-CZ 4.44Å
189	R	93.5	Very high	94.3	Very high	47 Å²	47	63.1 Å²	63.1	18%	0.177	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-19.6	-178.9	69.7	-173.2	175.6	-69.8	-5	116.5	E72 F112 C113 S185 W186	E72-R189 IonicContact OE1-CZ 2.75Å; E72-R189 IonicContact OE1-NE 3.46Å; E72-R189 PolarHBondContact OE1-NE 3.43Å; E72-R189 IonicContact OE1-NH2 3.51Å; E72-R189 PolarHBondContact OE1-NH2 3.16Å; E72-R189 IonicContact OE2-CZ 3.37Å; E72-R189 IonicContact OE2-NE 2.67Å; E72-R189 PolarHBondContact OE2-NE 3.13Å; E72-R189 IonicContact OE2-NH2 3.89Å; E72-R189 PolarHBondContact OE2-NH2 3.21Å; E72-R189 VanDerWaalsContact OE2-NH2 3.09Å; F112-R189 HydrophobicContact CD1-CB 3.89Å; F112-R189 HydrophobicContact CD1-CG 3.93Å; F112-R189 HydrophobicContact CE1-CB 4.03Å; F112-R189 HydrophobicContact CE1-CG 3.59Å; C113-R189 VanDerWaalsContact CB-O 3.29Å; C113-R189 WeakPolarHBondContact CB-O 3.48Å; S185-R189 PolarHBondContact O-N 3.15Å; W186-R189 VanDerWaalsContact CE2-CD 3.49Å; W186-R189 HydrophobicContact CE3-CB 4.28Å; W186-R189 VanDerWaalsContact O-CB 3.28Å; W186-R189 WeakPolarHBondContact O-CB 3.33Å; W186-R189 VanDerWaalsContact O-CD 3.3Å; W186-R189 WeakPolarHBondContact O-CD 3.46Å; W186-R189 WeakPolarHBondContact O-CG 3.34Å; W186-R189 PolarHBondContact O-N 3.29Å; W186-R189 PolarHBondContact O-NH1 3.03Å
190	H	90.8	Very high	94.2	Very high	92 Å²	92	66.8 Å²	66.8	43%	0.426	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-11.4	177.6	-66.9	-67.3	0	0	0	113.8	E72 F112 R188 R192	E72-H190 IonicContact OE1-CD2 3.33Å; E72-H190 IonicContact OE1-CE1 2.74Å; E72-H190 IonicContact OE1-NE2 3.48Å; E72-H190 PolarHBondContact OE1-NE2 2.95Å; F112-H190 AromaticContact CE1-CE1 3.72Å; F112-H190 AromaticContact CZ-CE1 3.55Å; R188-H190 PolarHBondContact O-N 3Å; H190-R192 PolarHBondContact O-N 3.09Å
191	D	91.7	Very high	94.2	Very high	58 Å²	58	60.6 Å²	60.6	31%	0.31	31%	0.305	S	S	.	.			trans	-80	111.9	178.8	-176.8	-5	0	0	0	109.9	R188 N193 F194	R188-D191 HydrophobicContact CB-CB 4.4Å; R188-D191 IonicContact CZ-OD2 2.75Å; R188-D191 IonicContact NE-OD2 2.82Å; R188-D191 PolarHBondContact NE-OD2 2.77Å; R188-D191 IonicContact NH2-OD2 3.44Å; R188-D191 PolarHBondContact NH2-OD2 3.05Å; R188-D191 WeakPolarHBondContact O-CB 3.34Å; R188-D191 PolarHBondContact O-N 2.97Å; D191-N193 PolarHBondContact O-N 2.78Å; D191-N193 PolarHBondContact OD1-N 3.24Å; D191-F194 HydrophobicContact CB-CB 3.91Å; D191-F194 PolarHBondContact O-N 2.9Å
192	R	84.9	Confident	94.1	Very high	183 Å²	183	61.9 Å²	61.9	69%	0.691	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-15.5	-178.1	-64.8	-177.7	67.8	-163.4	1.6	113.7	H190	H190-R192 PolarHBondContact O-N 3.09Å
193	N	89.5	Confident	93.9	Very high	149 Å²	149	67.2 Å²	67.2	80%	0.797	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	0.3	-176.6	-61.9	-22.8	0	0	0	112.6	D191	D191-N193 PolarHBondContact O-N 2.78Å; D191-N193 PolarHBondContact OD1-N 3.24Å
194	F	93.8	Very high	93.9	Very high	9 Å²	9	70.1 Å²	70.1	4%	0.039	35%	0.352	C	S	.	.			trans	-93.3	131.3	-179	168.7	-110.5	0	0	0	111.7	A115 R188 D191 A196 F201	A115-F194 HydrophobicContact CB-CD1 3.97Å; A115-F194 HydrophobicContact CB-CE1 4Å; R188-F194 HydrophobicContact CB-CB 4.37Å; R188-F194 HydrophobicContact CB-CD1 3.51Å; R188-F194 HydrophobicContact CB-CD2 4.43Å; R188-F194 HydrophobicContact CB-CE1 3.85Å; R188-F194 HydrophobicContact CB-CG 3.83Å; R188-F194 HydrophobicContact CB-CZ 4.44Å; D191-F194 HydrophobicContact CB-CB 3.91Å; D191-F194 PolarHBondContact O-N 2.9Å; F194-A196 HydrophobicContact CE1-CB 4.42Å; F194-A196 HydrophobicContact CZ-CB 4.08Å; F194-F201 AromaticContact CE2-CD1 3.85Å; F194-F201 HydrophobicContact CE2-CD1 3.85Å; F194-F201 AromaticContact CE2-CD2 3.84Å; F194-F201 HydrophobicContact CE2-CD2 3.84Å; F194-F201 AromaticContact CE2-CE1 3.92Å; F194-F201 HydrophobicContact CE2-CE1 3.92Å; F194-F201 AromaticContact CE2-CE2 3.88Å; F194-F201 HydrophobicContact CE2-CE2 3.88Å; F194-F201 AromaticContact CE2-CG 3.82Å; F194-F201 HydrophobicContact CE2-CG 3.82Å; F194-F201 AromaticContact CE2-CZ 3.93Å; F194-F201 HydrophobicContact CE2-CZ 3.93Å; F194-F201 AromaticContact CZ-CD1 3.98Å; F194-F201 HydrophobicContact CZ-CD1 3.98Å; F194-F201 HydrophobicContact CZ-CD2 4.45Å; F194-F201 AromaticContact CZ-CE1 3.64Å; F194-F201 HydrophobicContact CZ-CE1 3.64Å; F194-F201 HydrophobicContact CZ-CE2 4.11Å; F194-F201 HydrophobicContact CZ-CG 4.39Å; F194-F201 AromaticContact CZ-CZ 3.7Å; F194-F201 HydrophobicContact CZ-CZ 3.7Å
195	H	95.5	Very high	93.9	Very high	47 Å²	47	69.1 Å²	69.1	22%	0.218	35%	0.347	C	S	.	.			trans	-127.9	133.1	165.8	-157.6	-103.4	0	0	0	110.5	A115 S117 S197 D198	A115-H195 PolarHBondContact O-CD2 3.26Å; S117-H195 PolarHBondContact O-CE1 2.81Å; S117-H195 PolarHBondContact O-NE2 2.85Å; S117-H195 PolarHBondContact OG-NE2 3.35Å; H195-S197 PolarHBondContact ND1-OG 3.05Å; H195-S197 PolarHBondContact O-N 3.43Å; H195-D198 PolarHBondContact N-OD2 3.45Å; H195-D198 VanDerWaalsContact O-CB 3.32Å; H195-D198 WeakPolarHBondContact O-CB 3.4Å; H195-D198 PolarHBondContact O-N 2.99Å
196	A	95.5	Very high	93.8	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-13.6	-173.1	0	0	0	0	0	113.5	A115 M116 L119 W181 F194 D198	A115-A196 VanDerWaalsContact O-CB 3.31Å; A115-A196 WeakPolarHBondContact O-CB 3.42Å; A115-A196 PolarHBondContact O-N 3.45Å; M116-A196 HydrophobicContact CE-CB 3.9Å; M116-A196 HydrophobicContact CG-CB 3.74Å; L119-A196 HydrophobicContact CD1-CB 4.39Å; W181-A196 HydrophobicContact CH2-CB 4.17Å; W181-A196 HydrophobicContact CZ2-CB 3.42Å; W181-A196 VanDerWaalsContact CZ2-CB 3.42Å; W181-A196 WeakPolarHBondContact CZ2-O 3.41Å; W181-A196 PolarHBondContact NE1-O 2.97Å; F194-A196 HydrophobicContact CE1-CB 4.42Å; F194-A196 HydrophobicContact CZ-CB 4.08Å; A196-D198 VanDerWaalsContact C-N 3.33Å
197	S	94.6	Very high	93.8	Very high	47 Å²	47	72.3 Å²	72.3	33%	0.329	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	3.2	172.4	73.9	0	0	0	0	114.7	H195 A199 L202	H195-S197 PolarHBondContact ND1-OG 3.05Å; H195-S197 PolarHBondContact O-N 3.43Å; S197-A199 PolarHBondContact O-N 3.32Å; S197-L202 WeakPolarHBondContact O-CD1 3.28Å
198	D	94.8	Very high	93.8	Very high	61 Å²	61	68.2 Å²	68.2	33%	0.326	35%	0.349	S	S	.	.			trans	-57.8	126.8	176.3	-69.5	-24	0	0	0	109.5	H195 A196 S200 F201 L202	H195-D198 PolarHBondContact N-OD2 3.45Å; H195-D198 VanDerWaalsContact O-CB 3.32Å; H195-D198 WeakPolarHBondContact O-CB 3.4Å; H195-D198 PolarHBondContact O-N 2.99Å; A196-D198 VanDerWaalsContact C-N 3.33Å; D198-S200 VanDerWaalsContact C-N 3.27Å; D198-S200 PolarHBondContact O-N 3.19Å; D198-F201 HydrophobicContact CB-CB 4.16Å; D198-F201 WeakPolarHBondContact O-CB 3.27Å; D198-F201 PolarHBondContact O-N 3.02Å; D198-L202 PolarHBondContact O-N 3.46Å
199	A	92.8	Very high	93.8	Very high	82 Å²	82	63.2 Å²	63.2	68%	0.678	33%	0.33	S	S	*	.	H	α-helix	trans	-60.9	-34.7	-168.5	0	0	0	0	0	113.3	S197 N203	S197-A199 PolarHBondContact O-N 3.32Å; A199-N203 VanDerWaalsContact O-CB 3.31Å; A199-N203 WeakPolarHBondContact O-CB 3.34Å; A199-N203 PolarHBondContact O-N 2.85Å
200	S	94.3	Very high	93.9	Very high	97 Å²	97	61 Å²	61	68%	0.678	32%	0.322	S	S	*	.	H	α-helix	trans	-62.6	-45.7	173.1	47.7	0	0	0	0	111.9	D198 N203 E204	D198-S200 VanDerWaalsContact C-N 3.27Å; D198-S200 PolarHBondContact O-N 3.19Å; S200-N203 PolarHBondContact O-N 3.08Å; S200-E204 PolarHBondContact O-N 3.32Å
201	F	95.9	Very high	94.1	Very high	13 Å²	13	58.6 Å²	58.6	6%	0.057	31%	0.312	C	S	.	.	H	α-helix	trans	-70.2	-41.5	-179.5	-170.3	-98.5	0	0	0	112	W181 E184 S185 F194 D198 N203 E204 F205	W181-F201 AromaticContact CD1-CD1 3.56Å; W181-F201 AromaticContact CD1-CE1 3.36Å; W181-F201 HydrophobicContact CG-CE1 4.23Å; W181-F201 AromaticContact NE1-CD1 3.53Å; W181-F201 AromaticContact NE1-CE1 3.57Å; E184-F201 HydrophobicContact CB-CE2 4.42Å; E184-F201 HydrophobicContact CB-CZ 4.05Å; S185-F201 VanDerWaalsContact OG-CE1 3.27Å; S185-F201 WeakPolarHBondContact OG-CE1 3.42Å; F194-F201 AromaticContact CE2-CD1 3.85Å; F194-F201 HydrophobicContact CE2-CD1 3.85Å; F194-F201 AromaticContact CE2-CD2 3.84Å; F194-F201 HydrophobicContact CE2-CD2 3.84Å; F194-F201 AromaticContact CE2-CE1 3.92Å; F194-F201 HydrophobicContact CE2-CE1 3.92Å; F194-F201 AromaticContact CE2-CE2 3.88Å; F194-F201 HydrophobicContact CE2-CE2 3.88Å; F194-F201 AromaticContact CE2-CG 3.82Å; F194-F201 HydrophobicContact CE2-CG 3.82Å; F194-F201 AromaticContact CE2-CZ 3.93Å; F194-F201 HydrophobicContact CE2-CZ 3.93Å; F194-F201 AromaticContact CZ-CD1 3.98Å; F194-F201 HydrophobicContact CZ-CD1 3.98Å; F194-F201 HydrophobicContact CZ-CD2 4.45Å; F194-F201 AromaticContact CZ-CE1 3.64Å; F194-F201 HydrophobicContact CZ-CE1 3.64Å; F194-F201 HydrophobicContact CZ-CE2 4.11Å; F194-F201 HydrophobicContact CZ-CG 4.39Å; F194-F201 AromaticContact CZ-CZ 3.7Å; F194-F201 HydrophobicContact CZ-CZ 3.7Å; D198-F201 HydrophobicContact CB-CB 4.16Å; D198-F201 WeakPolarHBondContact O-CB 3.27Å; D198-F201 PolarHBondContact O-N 3.02Å; F201-N203 VanDerWaalsContact C-N 3.28Å; F201-N203 PolarHBondContact O-N 3.42Å; F201-E204 PolarHBondContact O-N 3.37Å; F201-F205 HydrophobicContact CD1-CD2 4.32Å; F201-F205 HydrophobicContact CD2-CD2 4.32Å; F201-F205 AromaticContact CD2-CE2 3.8Å; F201-F205 HydrophobicContact CD2-CE2 3.8Å; F201-F205 HydrophobicContact CE1-CD2 4.05Å; F201-F205 HydrophobicContact CE1-CE2 4.18Å; F201-F205 HydrophobicContact CE2-CD2 4.1Å; F201-F205 AromaticContact CE2-CE2 3.41Å; F201-F205 HydrophobicContact CE2-CE2 3.41Å; F201-F205 VanDerWaalsContact CE2-CE2 3.41Å; F201-F205 HydrophobicContact CE2-CZ 4.35Å; F201-F205 HydrophobicContact CG-CD2 4.43Å; F201-F205 HydrophobicContact CG-CE2 4.36Å; F201-F205 AromaticContact CZ-CD2 3.94Å; F201-F205 HydrophobicContact CZ-CD2 3.94Å; F201-F205 AromaticContact CZ-CE2 3.61Å; F201-F205 HydrophobicContact CZ-CE2 3.61Å; F201-F205 VanDerWaalsContact O-CD2 3.27Å; F201-F205 WeakPolarHBondContact O-CD2 3.27Å; F201-F205 PolarHBondContact O-N 3.26Å
202	L	95.6	Very high	94	Very high	26 Å²	26	57.7 Å²	57.7	14%	0.136	32%	0.317	C	S	.	.	H	α-helix	trans	-58.7	-40.1	171.2	-75.9	173.1	0	0	0	112	V155 P175 V177 W181 S197 D198 K206	V155-L202 HydrophobicContact CG2-CD2 4.12Å; P175-L202 HydrophobicContact CB-CD1 4.48Å; P175-L202 HydrophobicContact CG-CD1 4.47Å; V177-L202 HydrophobicContact CG1-CD2 3.92Å; W181-L202 HydrophobicContact CZ2-CD2 4.2Å; S197-L202 WeakPolarHBondContact O-CD1 3.28Å; D198-L202 PolarHBondContact O-N 3.46Å; L202-K206 PolarHBondContact O-N 3.32Å; L202-K206 VanDerWaalsContact O-N 3.15Å
203	N	94.3	Very high	94.4	Very high	112 Å²	112	49.6 Å²	49.6	60%	0.599	29%	0.287	S	S	*	.	H	α-helix	trans	-71.7	-36.1	-179.7	-170.6	68.4	0	0	0	112.8	A199 S200 F201 F205 K206	A199-N203 VanDerWaalsContact O-CB 3.31Å; A199-N203 WeakPolarHBondContact O-CB 3.34Å; A199-N203 PolarHBondContact O-N 2.85Å; S200-N203 PolarHBondContact O-N 3.08Å; F201-N203 VanDerWaalsContact C-N 3.28Å; F201-N203 PolarHBondContact O-N 3.42Å; N203-F205 VanDerWaalsContact C-N 3.28Å; N203-F205 PolarHBondContact O-N 3.01Å; N203-K206 WeakPolarHBondContact O-CB 3.5Å; N203-K206 PolarHBondContact O-N 3.37Å
204	E	95.5	Very high	94.6	Very high	137 Å²	137	43.3 Å²	43.3	64%	0.64	25%	0.254	S	S	*	.	H	α-helix	trans	-57.9	-39.4	174.7	-172.8	-175.5	165.9	0	0	112.2	S200 F201	S200-E204 PolarHBondContact O-N 3.32Å; F201-E204 PolarHBondContact O-N 3.37Å
205	F	96.3	Very high	94.7	Very high	16 Å²	16	42.9 Å²	42.9	7%	0.07	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	14.1	-178.5	-59	-70.3	0	0	0	114.5	V177 T178 R180 W181 E184 F201 N203 C207	V177-F205 CarbonylContact C-O 3.54Å; V177-F205 VanDerWaalsContact CA-O 3.3Å; V177-F205 WeakPolarHBondContact CA-O 3.34Å; V177-F205 WeakPolarHBondContact CB-O 3.48Å; T178-F205 PolarHBondContact N-O 3.32Å; T178-F205 PolarHBondContact OG1-O 3.39Å; R180-F205 HydrophobicContact CB-CD1 3.91Å; R180-F205 HydrophobicContact CB-CE1 4.3Å; W181-F205 HydrophobicContact CB-CB 3.7Å; W181-F205 HydrophobicContact CB-CD2 4.44Å; W181-F205 HydrophobicContact CB-CG 4.11Å; W181-F205 HydrophobicContact CG-CB 4.41Å; E184-F205 HydrophobicContact CB-CE1 4.34Å; E184-F205 HydrophobicContact CB-CE2 4.21Å; E184-F205 HydrophobicContact CB-CZ 3.85Å; E184-F205 HydrophobicContact CG-CE1 3.68Å; E184-F205 HydrophobicContact CG-CE2 4.42Å; E184-F205 HydrophobicContact CG-CZ 3.61Å; F201-F205 HydrophobicContact CD1-CD2 4.32Å; F201-F205 HydrophobicContact CD2-CD2 4.32Å; F201-F205 AromaticContact CD2-CE2 3.8Å; F201-F205 HydrophobicContact CD2-CE2 3.8Å; F201-F205 HydrophobicContact CE1-CD2 4.05Å; F201-F205 HydrophobicContact CE1-CE2 4.18Å; F201-F205 HydrophobicContact CE2-CD2 4.1Å; F201-F205 AromaticContact CE2-CE2 3.41Å; F201-F205 HydrophobicContact CE2-CE2 3.41Å; F201-F205 VanDerWaalsContact CE2-CE2 3.41Å; F201-F205 HydrophobicContact CE2-CZ 4.35Å; F201-F205 HydrophobicContact CG-CD2 4.43Å; F201-F205 HydrophobicContact CG-CE2 4.36Å; F201-F205 AromaticContact CZ-CD2 3.94Å; F201-F205 HydrophobicContact CZ-CD2 3.94Å; F201-F205 AromaticContact CZ-CE2 3.61Å; F201-F205 HydrophobicContact CZ-CE2 3.61Å; F201-F205 VanDerWaalsContact O-CD2 3.27Å; F201-F205 WeakPolarHBondContact O-CD2 3.27Å; F201-F205 PolarHBondContact O-N 3.26Å; N203-F205 VanDerWaalsContact C-N 3.28Å; N203-F205 PolarHBondContact O-N 3.01Å; F205-C207 PolarHBondContact O-N 3.39Å
206	K	95.4	Very high	94.5	Very high	101 Å²	101	40.6 Å²	40.6	44%	0.439	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-53	137	178.6	-176.3	176.7	177	-178.8	0	111	L202 N203 P208 G287	L202-K206 PolarHBondContact O-N 3.32Å; L202-K206 VanDerWaalsContact O-N 3.15Å; N203-K206 WeakPolarHBondContact O-CB 3.5Å; N203-K206 PolarHBondContact O-N 3.37Å; K206-P208 VanDerWaalsContact O-CD 3.29Å; K206-P208 WeakPolarHBondContact O-CD 3.2Å; K206-G287 WeakPolarHBondContact CE-O 3.35Å
207	C	95.4	Very high	94.3	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.027	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-65.6	119.5	179.3	-171.8	0	0	0	0	110.6	I176 F205	I176-C207 HydrophobicContact CB-CB 4.17Å; I176-C207 HydrophobicContact CG2-CB 3.73Å; I176-C207 WeakPolarHBondContact O-CB 3.48Å; I176-C207 PolarHBondContact O-N 3.15Å; F205-C207 PolarHBondContact O-N 3.39Å
208	P	95.3	Very high	94	Very high	44 Å²	44	39.2 Å²	39.2	29%	0.286	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-61.4	145.2	178	-23.7	34.6	0	0	0	112.4	V161 K206 F210 L211 N235	V161-P208 WeakPolarHBondContact CG1-O 3.26Å; K206-P208 VanDerWaalsContact O-CD 3.29Å; K206-P208 WeakPolarHBondContact O-CD 3.2Å; P208-F210 PolarHBondContact O-N 2.65Å; P208-L211 HydrophobicContact CB-CB 4.36Å; P208-L211 PolarHBondContact O-N 2.99Å; P208-L211 VanDerWaalsContact O-N 3.16Å; P208-N235 WeakPolarHBondContact CB-O 3.42Å
209	A	94.4	Very high	93.2	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25	-170	0	0	0	0	0	114.6	N235 C289	A209-N235 HydrophobicContact CB-CB 4.43Å; A209-N235 PolarHBondContact N-O 2.97Å; A209-C289 WeakPolarHBondContact O-CA 3.28Å; A209-C289 VanDerWaalsContact O-CB 3.26Å; A209-C289 WeakPolarHBondContact O-CB 3.43Å; A209-C289 PolarHBondContact O-N 3.49Å
210	F	95.8	Very high	92.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	21.4	-179.4	-53.4	-47.3	0	0	0	113.7	P208 G212 L213 I215 N235 G237 W279 L280 V284	P208-F210 PolarHBondContact O-N 2.65Å; F210-G212 PolarHBondContact O-N 2.9Å; F210-L213 HydrophobicContact CB-CB 4.38Å; F210-L213 HydrophobicContact CB-CD1 4.21Å; F210-L213 HydrophobicContact CB-CG 4.5Å; F210-L213 HydrophobicContact CD1-CD1 4.04Å; F210-L213 WeakPolarHBondContact O-CB 3.4Å; F210-L213 PolarHBondContact O-N 3.17Å; F210-I215 HydrophobicContact CB-CD1 4.14Å; F210-I215 HydrophobicContact CD1-CD1 4.17Å; F210-I215 HydrophobicContact CD2-CD1 4.34Å; F210-I215 HydrophobicContact CG-CD1 3.97Å; F210-N235 HydrophobicContact CD2-CB 3.57Å; F210-N235 HydrophobicContact CE2-CB 3.92Å; F210-N235 HydrophobicContact CG-CB 4.44Å; F210-N235 PolarHBondContact N-O 3.39Å; F210-G237 VanDerWaalsContact O-CA 3.28Å; F210-G237 WeakPolarHBondContact O-CA 3.48Å; F210-W279 AromaticContact CD1-CH2 4Å; F210-W279 HydrophobicContact CD1-CH2 4Å; F210-W279 HydrophobicContact CD1-CZ2 4.42Å; F210-W279 AromaticContact CE1-CH2 3.91Å; F210-W279 HydrophobicContact CE1-CH2 3.91Å; F210-W279 HydrophobicContact CE1-CZ2 4.23Å; F210-W279 HydrophobicContact CE1-CZ3 4.14Å; F210-L280 HydrophobicContact CE1-CD2 4.14Å; F210-L280 HydrophobicContact CE2-CD2 3.91Å; F210-L280 HydrophobicContact CZ-CB 4.43Å; F210-L280 HydrophobicContact CZ-CD2 3.61Å; F210-V284 HydrophobicContact CE2-CG2 3.47Å; F210-V284 VanDerWaalsContact CE2-CG2 3.47Å; F210-V284 HydrophobicContact CZ-CG2 3.67Å
211	L	94.5	Very high	91.6	Very high	42 Å²	42	36.5 Å²	36.5	22%	0.22	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	123.4	-179.3	-175.9	69.5	0	0	0	111.7	Q159 E160 V161 T178 P208 L213	Q159-L211 VanDerWaalsContact O-CD2 3.26Å; Q159-L211 WeakPolarHBondContact O-CD2 3.5Å; Q159-L211 WeakPolarHBondContact O-CG 3.49Å; E160-L211 WeakPolarHBondContact CA-O 3.33Å; V161-L211 HydrophobicContact CG1-CB 4.15Å; V161-L211 PolarHBondContact N-O 3.17Å; T178-L211 HydrophobicContact CG2-CD2 4.05Å; P208-L211 HydrophobicContact CB-CB 4.36Å; P208-L211 PolarHBondContact O-N 2.99Å; P208-L211 VanDerWaalsContact O-N 3.16Å; L211-L213 VanDerWaalsContact C-N 3.33Å
212	G	89.6	Confident	90.5	Very high	39 Å²	39	43.2 Å²	43.2	40%	0.402	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-9.6	-177.8	0	0	0	0	0	114.9	F210	F210-G212 PolarHBondContact O-N 2.9Å
213	L	94.2	Very high	89.4	Confident	13 Å²	13	49.3 Å²	49.3	7%	0.068	28%	0.281	C	S	.	.			trans	-86.4	131.3	-178	-53.9	-172.9	0	0	0	111.9	V161 F210 L211 I215 K238 W279	V161-L213 HydrophobicContact CG2-CD1 3.67Å; V161-L213 HydrophobicContact CG2-CD2 3.78Å; V161-L213 HydrophobicContact CG2-CG 3.6Å; F210-L213 HydrophobicContact CB-CB 4.38Å; F210-L213 HydrophobicContact CB-CD1 4.21Å; F210-L213 HydrophobicContact CB-CG 4.5Å; F210-L213 HydrophobicContact CD1-CD1 4.04Å; F210-L213 WeakPolarHBondContact O-CB 3.4Å; F210-L213 PolarHBondContact O-N 3.17Å; L211-L213 VanDerWaalsContact C-N 3.33Å; L213-I215 HydrophobicContact CB-CD1 4.12Å; L213-I215 HydrophobicContact CB-CG1 3.95Å; L213-I215 HydrophobicContact CD1-CD1 4.43Å; L213-K238 PolarHBondContact O-N 3.08Å; L213-W279 HydrophobicContact CD1-CH2 3.78Å; L213-W279 HydrophobicContact CD1-CZ2 4.05Å
214	T	93.9	Very high	88.9	Confident	17 Å²	17	46.7 Å²	46.7	10%	0.104	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.4	162.3	-58.5	0	0	0	0	109.7	K238 E247 T249 H250	T214-K238 CarbonylContact C-O 3.55Å; T214-K238 VanDerWaalsContact CA-O 3.31Å; T214-K238 WeakPolarHBondContact CA-O 3.47Å; T214-K238 HydrophobicContact CG2-CB 4.44Å; T214-K238 HydrophobicContact CG2-CD 4.15Å; T214-K238 HydrophobicContact CG2-CG 4.38Å; T214-E247 VanDerWaalsContact CB-O 3.26Å; T214-E247 WeakPolarHBondContact CB-O 3.48Å; T214-E247 HydrophobicContact CG2-CG 4.39Å; T214-T249 PolarHBondContact N-OG1 3.25Å; T214-T249 VanDerWaalsContact N-OG1 3.07Å; T214-T249 PolarHBondContact O-N 3.4Å; T214-T249 PolarHBondContact O-OG1 3.11Å; T214-H250 PolarHBondContact O-N 2.86Å
215	I	94.8	Very high	88.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.4	-167.3	-53	177.5	0	0	0	109.8	F210 L213 I232 K238 S240 H250 V252 W279 L280	F210-I215 HydrophobicContact CB-CD1 4.14Å; F210-I215 HydrophobicContact CD1-CD1 4.17Å; F210-I215 HydrophobicContact CD2-CD1 4.34Å; F210-I215 HydrophobicContact CG-CD1 3.97Å; L213-I215 HydrophobicContact CB-CD1 4.12Å; L213-I215 HydrophobicContact CB-CG1 3.95Å; L213-I215 HydrophobicContact CD1-CD1 4.43Å; I215-I232 HydrophobicContact CB-CD1 3.94Å; I215-I232 HydrophobicContact CB-CG2 4.34Å; I215-I232 HydrophobicContact CD1-CD1 4.38Å; I215-I232 HydrophobicContact CD1-CG1 4.09Å; I215-I232 HydrophobicContact CD1-CG2 3.99Å; I215-I232 HydrophobicContact CG1-CG2 4.44Å; I215-I232 HydrophobicContact CG2-CD1 3.67Å; I215-I232 HydrophobicContact CG2-CG1 4.48Å; I215-K238 PolarHBondContact N-O 3.01Å; I215-S240 PolarHBondContact O-N 3.24Å; I215-H250 HydrophobicContact CB-CB 4.42Å; I215-H250 HydrophobicContact CG1-CB 4.12Å; I215-H250 HydrophobicContact CG2-CB 4.17Å; I215-V252 HydrophobicContact CG2-CG2 3.64Å; I215-W279 HydrophobicContact CD1-CH2 4.01Å; I215-W279 HydrophobicContact CD1-CZ3 4Å; I215-L280 HydrophobicContact CD1-CD2 4.12Å; I215-L280 HydrophobicContact CG2-CD2 4.47Å
216	T	91.6	Very high	87.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.5	175.6	-64.2	0	0	0	0	110.6	S240 A242 L243 H250 L251 V252 K260	T216-S240 WeakPolarHBondContact CA-O 3.47Å; T216-S240 PolarHBondContact OG1-O 3.49Å; T216-A242 PolarHBondContact OG1-O 3.28Å; T216-L243 HydrophobicContact CG2-CB 4.17Å; T216-H250 PolarHBondContact N-O 2.94Å; T216-L251 HydrophobicContact CG2-CD1 4.09Å; T216-L251 CarbonylContact O-C 3.58Å; T216-L251 WeakPolarHBondContact O-CA 3.42Å; T216-V252 PolarHBondContact O-N 2.97Å; T216-K260 HydrophobicContact CG2-CD 3.94Å
217	V	92	Very high	87.2	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	151.3	172.9	-62.6	0	0	0	0	113.2	L220 R225 I228 F239 V252 K260	V217-L220 HydrophobicContact CB-CD1 4.25Å; V217-L220 HydrophobicContact CG1-CD1 4.31Å; V217-R225 HydrophobicContact CG2-CG 3.89Å; V217-I228 HydrophobicContact CG1-CG2 3.62Å; V217-F239 HydrophobicContact CG1-CE2 4.19Å; V217-F239 HydrophobicContact CG2-CE2 3.77Å; V217-F239 HydrophobicContact CG2-CZ 3.97Å; V217-V252 CarbonylContact C-O 3.43Å; V217-V252 WeakPolarHBondContact CA-O 3.48Å; V217-V252 HydrophobicContact CG1-CB 4.08Å; V217-V252 HydrophobicContact CG1-CG1 4.48Å; V217-K260 WeakPolarHBondContact O-CD 3.15Å; V217-K260 PolarHBondContact O-NZ 3.21Å
218	S	87.1	Confident	86.9	Confident	16 Å²	16	49.9 Å²	49.9	11%	0.112	27%	0.274	C	S	.	.			trans	-136.3	146.6	173.2	-171.9	0	0	0	0	111.5	L220 V252	S218-L220 VanDerWaalsContact C-N 3.33Å; S218-L220 PolarHBondContact O-N 3.41Å; S218-V252 PolarHBondContact N-O 3.16Å
219	G	78.9	Confident	86.7	Confident	74 Å²	74	52.5 Å²	52.5	76%	0.763	28%	0.278	S	S	*	.	S	Bend	trans	77.7	6.7	173.2	0	0	0	0	0	116.5
220	L	78.5	Confident	86.4	Confident	29 Å²	29	55.3 Å²	55.3	15%	0.152	29%	0.293	C	S	.	.			trans	-105.5	144.5	-177.2	-61	179.2	0	0	0	113.4	V217 S218 R225 I228	V217-L220 HydrophobicContact CB-CD1 4.25Å; V217-L220 HydrophobicContact CG1-CD1 4.31Å; S218-L220 VanDerWaalsContact C-N 3.33Å; S218-L220 PolarHBondContact O-N 3.41Å; L220-R225 PolarHBondContact O-NH2 3.28Å; L220-I228 HydrophobicContact CD1-CD1 3.33Å
221	P	75.4	Confident	86.3	Confident	81 Å²	81	57.1 Å²	57.1	53%	0.526	30%	0.303	S	S	.	.			trans	-65.2	171	176	29.5	-35.3	0	0	0	112.2	E224 R225	P221-E224 HydrophobicContact CG-CB 3.92Å; P221-R225 VanDerWaalsContact O-CB 3.28Å; P221-R225 WeakPolarHBondContact O-CB 3.49Å; P221-R225 PolarHBondContact O-N 3.44Å
222	M	71.2	Confident	86.2	Confident	153 Å²	153	55.1 Å²	55.1	75%	0.754	29%	0.292	S	S	*	.	H	α-helix	trans	-75.5	-34.6	-168.2	-171.6	150.3	163.5	0	0	113.6	T226	M222-T226 PolarHBondContact O-N 3.41Å; M222-T226 PolarHBondContact O-OG1 2.98Å
223	E	74.3	Confident	86.4	Confident	155 Å²	155	56.2 Å²	56.2	72%	0.724	29%	0.293	S	S	*	.	H	α-helix	trans	-64.3	-50.6	172.5	-60.4	87.6	-171.3	0	0	110.8	R225 T226 R227	E223-R225 VanDerWaalsContact C-N 3.28Å; E223-R225 PolarHBondContact O-N 3.3Å; E223-T226 WeakPolarHBondContact O-CA 3.3Å; E223-T226 VanDerWaalsContact O-CB 3.27Å; E223-T226 WeakPolarHBondContact O-CB 3.37Å; E223-T226 PolarHBondContact O-N 3.36Å; E223-R227 PolarHBondContact O-N 3.44Å
224	E	81.9	Confident	86.4	Confident	56 Å²	56	62.1 Å²	62.1	26%	0.262	33%	0.325	S	S	.	.	H	α-helix	trans	-63.8	-34.5	-178.1	-168.2	52.2	-136.2	0	0	112.4	P221 T226 R227 I228 Y281	P221-E224 HydrophobicContact CG-CB 3.92Å; E224-T226 VanDerWaalsContact C-N 3.27Å; E224-T226 PolarHBondContact O-N 3.35Å; E224-R227 PolarHBondContact O-N 3.18Å; E224-I228 HydrophobicContact CG-CD1 4.05Å; E224-I228 WeakPolarHBondContact O-CB 3.35Å; E224-I228 WeakPolarHBondContact O-CG1 3.46Å; E224-I228 PolarHBondContact O-N 2.82Å; E224-Y281 PolarHBondContact OE1-OH 3.39Å
225	R	81.3	Confident	86.4	Confident	99 Å²	99	62.9 Å²	62.9	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-61.1	-36	172.4	-175.9	175.6	-49.9	-178.8	11.1	112.8	V217 L220 P221 E223 R229 F239	V217-R225 HydrophobicContact CG2-CG 3.89Å; L220-R225 PolarHBondContact O-NH2 3.28Å; P221-R225 VanDerWaalsContact O-CB 3.28Å; P221-R225 WeakPolarHBondContact O-CB 3.49Å; P221-R225 PolarHBondContact O-N 3.44Å; E223-R225 VanDerWaalsContact C-N 3.28Å; E223-R225 PolarHBondContact O-N 3.3Å; R225-R229 VanDerWaalsContact O-CB 3.29Å; R225-R229 WeakPolarHBondContact O-CB 3.36Å; R225-R229 PolarHBondContact O-N 3.02Å; R225-F239 HydrophobicContact CG-CE2 4.45Å; R225-F239 HydrophobicContact CG-CZ 3.81Å
226	T	81.1	Confident	86.3	Confident	57 Å²	57	64.5 Å²	64.5	35%	0.35	35%	0.345	S	S	.	.	H	α-helix	trans	-68.5	-49.3	176.4	-59.6	0	0	0	0	109.8	M222 E223 E224 I228 R229 D230	M222-T226 PolarHBondContact O-N 3.41Å; M222-T226 PolarHBondContact O-OG1 2.98Å; E223-T226 WeakPolarHBondContact O-CA 3.3Å; E223-T226 VanDerWaalsContact O-CB 3.27Å; E223-T226 WeakPolarHBondContact O-CB 3.37Å; E223-T226 PolarHBondContact O-N 3.36Å; E224-T226 VanDerWaalsContact C-N 3.27Å; E224-T226 PolarHBondContact O-N 3.35Å; T226-I228 PolarHBondContact O-N 2.95Å; T226-R229 WeakPolarHBondContact O-CB 3.39Å; T226-R229 PolarHBondContact O-N 3.38Å; T226-D230 VanDerWaalsContact O-CG 3.28Å; T226-D230 PolarHBondContact O-N 3.47Å
227	R	89.2	Confident	86.3	Confident	170 Å²	170	64.9 Å²	64.9	64%	0.642	35%	0.349	S	S	*	.	H	α-helix	trans	-54.7	-47.8	175.1	-175.1	-177.4	176	104.1	0.8	112.3	E223 E224 D230 L231	E223-R227 PolarHBondContact O-N 3.44Å; E224-R227 PolarHBondContact O-N 3.18Å; R227-D230 PolarHBondContact O-N 2.85Å; R227-L231 WeakPolarHBondContact O-CB 3.49Å; R227-L231 PolarHBondContact O-N 3.49Å
228	I	90.1	Very high	86.2	Confident	0 Å²	0	70 Å²	70	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-69.8	-38.4	179.8	-73.1	170.9	0	0	0	112.5	V217 L220 E224 T226 D230 L231 I232 L280 Y281	V217-I228 HydrophobicContact CG1-CG2 3.62Å; L220-I228 HydrophobicContact CD1-CD1 3.33Å; E224-I228 HydrophobicContact CG-CD1 4.05Å; E224-I228 WeakPolarHBondContact O-CB 3.35Å; E224-I228 WeakPolarHBondContact O-CG1 3.46Å; E224-I228 PolarHBondContact O-N 2.82Å; T226-I228 PolarHBondContact O-N 2.95Å; I228-D230 VanDerWaalsContact C-N 3.29Å; I228-D230 PolarHBondContact O-N 3.07Å; I228-L231 PolarHBondContact O-N 2.88Å; I228-I232 HydrophobicContact CG2-CD1 3.52Å; I228-I232 HydrophobicContact CG2-CG1 4.29Å; I228-I232 WeakPolarHBondContact O-CB 3.43Å; I228-I232 WeakPolarHBondContact O-CD1 3.17Å; I228-I232 VanDerWaalsContact O-CG1 3.28Å; I228-I232 WeakPolarHBondContact O-CG1 3.49Å; I228-I232 PolarHBondContact O-N 3.16Å; I228-L280 HydrophobicContact CG1-CD1 4.49Å; I228-L280 HydrophobicContact CG2-CD1 3.52Å; I228-Y281 WeakPolarHBondContact CD1-OH 3.15Å; I228-Y281 WeakPolarHBondContact CG1-OH 3.34Å
229	R	90	Very high	86.4	Confident	98 Å²	98	71.1 Å²	71.1	37%	0.37	37%	0.374	S	S	.	.	H	α-helix	trans	-54.8	-49.8	172.6	173.5	-164.1	73.5	-162.2	-2.2	110.2	R225 T226 I232 C233 F239	R225-R229 VanDerWaalsContact O-CB 3.29Å; R225-R229 WeakPolarHBondContact O-CB 3.36Å; R225-R229 PolarHBondContact O-N 3.02Å; T226-R229 WeakPolarHBondContact O-CB 3.39Å; T226-R229 PolarHBondContact O-N 3.38Å; R229-I232 PolarHBondContact O-N 2.97Å; R229-C233 WeakPolarHBondContact O-CB 3.49Å; R229-C233 PolarHBondContact O-N 2.7Å; R229-C233 PolarHBondContact O-SG 2.98Å; R229-F239 HydrophobicContact CB-CB 4.27Å; R229-F239 HydrophobicContact CB-CD1 3.96Å; R229-F239 HydrophobicContact CB-CD2 3.81Å; R229-F239 HydrophobicContact CB-CE1 4.21Å; R229-F239 HydrophobicContact CB-CE2 4.04Å; R229-F239 HydrophobicContact CB-CG 3.75Å; R229-F239 HydrophobicContact CB-CZ 4.24Å; R229-F239 HydrophobicContact CG-CB 3.78Å; R229-F239 HydrophobicContact CG-CD1 3.62Å; R229-F239 HydrophobicContact CG-CD2 4.21Å; R229-F239 HydrophobicContact CG-CE1 4.22Å; R229-F239 HydrophobicContact CG-CG 3.61Å
230	D	89	Confident	86.8	Confident	61 Å²	61	68.3 Å²	68.3	33%	0.326	34%	0.343	S	S	.	.	H	α-helix	trans	-69.9	-38.7	-175.5	-60.2	-17.7	0	0	0	110.6	T226 R227 I228 I232 C233 N234	T226-D230 VanDerWaalsContact O-CG 3.28Å; T226-D230 PolarHBondContact O-N 3.47Å; R227-D230 PolarHBondContact O-N 2.85Å; I228-D230 VanDerWaalsContact C-N 3.29Å; I228-D230 PolarHBondContact O-N 3.07Å; D230-I232 PolarHBondContact O-N 3.09Å; D230-C233 PolarHBondContact O-N 3.29Å; D230-N234 VanDerWaalsContact O-CB 3.22Å; D230-N234 WeakPolarHBondContact O-CB 3.48Å; D230-N234 PolarHBondContact O-N 3.28Å; D230-N234 PolarHBondContact O-ND2 2.82Å
231	L	93.7	Very high	87	Confident	39 Å²	39	69.2 Å²	69.2	20%	0.204	36%	0.359	C	S	.	.	H	α-helix	trans	-55.9	-45.5	170.5	-175.1	72	0	0	0	112.6	R227 I228 N235 L280 Y281 V284	R227-L231 WeakPolarHBondContact O-CB 3.49Å; R227-L231 PolarHBondContact O-N 3.49Å; I228-L231 PolarHBondContact O-N 2.88Å; L231-N235 WeakPolarHBondContact O-CB 3.37Å; L231-N235 PolarHBondContact O-N 3.4Å; L231-N235 PolarHBondContact O-ND2 3.11Å; L231-L280 HydrophobicContact CD2-CB 4.39Å; L231-Y281 HydrophobicContact CD2-CD1 3.68Å; L231-Y281 HydrophobicContact CD2-CE1 3.66Å; L231-V284 HydrophobicContact CD1-CB 4.31Å; L231-V284 HydrophobicContact CD1-CG1 4Å; L231-V284 HydrophobicContact CD1-CG2 3.93Å; L231-V284 HydrophobicContact CD2-CG2 4.4Å; L231-V284 HydrophobicContact CG-CG2 4.01Å
232	I	92.8	Very high	87.3	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-66.3	-50.5	179.4	-73.4	160.3	0	0	0	110.9	I215 I228 R229 D230 N235 G236 G237 F239 L280	I215-I232 HydrophobicContact CB-CD1 3.94Å; I215-I232 HydrophobicContact CB-CG2 4.34Å; I215-I232 HydrophobicContact CD1-CD1 4.38Å; I215-I232 HydrophobicContact CD1-CG1 4.09Å; I215-I232 HydrophobicContact CD1-CG2 3.99Å; I215-I232 HydrophobicContact CG1-CG2 4.44Å; I215-I232 HydrophobicContact CG2-CD1 3.67Å; I215-I232 HydrophobicContact CG2-CG1 4.48Å; I228-I232 HydrophobicContact CG2-CD1 3.52Å; I228-I232 HydrophobicContact CG2-CG1 4.29Å; I228-I232 WeakPolarHBondContact O-CB 3.43Å; I228-I232 WeakPolarHBondContact O-CD1 3.17Å; I228-I232 VanDerWaalsContact O-CG1 3.28Å; I228-I232 WeakPolarHBondContact O-CG1 3.49Å; I228-I232 PolarHBondContact O-N 3.16Å; R229-I232 PolarHBondContact O-N 2.97Å; D230-I232 PolarHBondContact O-N 3.09Å; I232-N235 CarbonylContact O-C 3.37Å; I232-N235 PolarHBondContact O-N 3.36Å; I232-N235 VanDerWaalsContact O-N 3.15Å; I232-G236 PolarHBondContact O-N 3.37Å; I232-G237 PolarHBondContact O-N 3.28Å; I232-F239 HydrophobicContact CD1-CD2 3.95Å; I232-F239 HydrophobicContact CG2-CB 4.35Å; I232-L280 HydrophobicContact CD1-CD1 4.21Å; I232-L280 HydrophobicContact CD1-CD2 4.14Å; I232-L280 HydrophobicContact CG1-CD1 4.45Å; I232-L280 HydrophobicContact CG1-CD2 3.79Å
233	C	93.2	Very high	87.9	Confident	62 Å²	62	61.9 Å²	61.9	42%	0.419	33%	0.325	S	S	.	.	H	α-helix	trans	-62.8	-43.5	-178.2	-68.7	0	0	0	0	112	R229 D230 N235 G236 G237	R229-C233 WeakPolarHBondContact O-CB 3.49Å; R229-C233 PolarHBondContact O-N 2.7Å; R229-C233 PolarHBondContact O-SG 2.98Å; D230-C233 PolarHBondContact O-N 3.29Å; C233-N235 PolarHBondContact O-N 3.09Å; C233-G236 PolarHBondContact O-N 2.98Å; C233-G236 VanDerWaalsContact O-N 3.1Å; C233-G237 WeakPolarHBondContact CA-O 3.24Å
234	N	94.2	Very high	88.3	Confident	137 Å²	137	55.6 Å²	55.6	73%	0.733	30%	0.297	S	S	*	.	H	α-helix	trans	-66	-18.6	178.1	-67.6	-12.3	0	0	0	113	D230	D230-N234 VanDerWaalsContact O-CB 3.22Å; D230-N234 WeakPolarHBondContact O-CB 3.48Å; D230-N234 PolarHBondContact O-N 3.28Å; D230-N234 PolarHBondContact O-ND2 2.82Å
235	N	94.4	Very high	87.9	Confident	33 Å²	33	56.4 Å²	56.4	18%	0.176	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	20.8	176.1	-74.2	-86.9	0	0	0	113.1	P208 A209 F210 L231 I232 C233 G237 V284	P208-N235 WeakPolarHBondContact CB-O 3.42Å; A209-N235 HydrophobicContact CB-CB 4.43Å; A209-N235 PolarHBondContact N-O 2.97Å; F210-N235 HydrophobicContact CD2-CB 3.57Å; F210-N235 HydrophobicContact CE2-CB 3.92Å; F210-N235 HydrophobicContact CG-CB 4.44Å; F210-N235 PolarHBondContact N-O 3.39Å; L231-N235 WeakPolarHBondContact O-CB 3.37Å; L231-N235 PolarHBondContact O-N 3.4Å; L231-N235 PolarHBondContact O-ND2 3.11Å; I232-N235 CarbonylContact O-C 3.37Å; I232-N235 PolarHBondContact O-N 3.36Å; I232-N235 VanDerWaalsContact O-N 3.15Å; C233-N235 PolarHBondContact O-N 3.09Å; N235-G237 PolarHBondContact O-N 3.16Å; N235-V284 HydrophobicContact CB-CG2 4.24Å; N235-V284 WeakPolarHBondContact ND2-CG2 3.4Å
236	G	91.4	Very high	87.7	Confident	34 Å²	34	55.7 Å²	55.7	35%	0.351	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	6.2	171.3	0	0	0	0	0	115.9	I232 C233	I232-G236 PolarHBondContact O-N 3.37Å; C233-G236 PolarHBondContact O-N 2.98Å; C233-G236 VanDerWaalsContact O-N 3.1Å
237	G	91.7	Very high	87.9	Confident	8 Å²	8	55.2 Å²	55.2	8%	0.082	30%	0.298	C	S	.	.			trans	-91.2	160.1	175.5	0	0	0	0	0	112.8	F210 I232 C233 N235	F210-G237 VanDerWaalsContact O-CA 3.28Å; F210-G237 WeakPolarHBondContact O-CA 3.48Å; I232-G237 PolarHBondContact O-N 3.28Å; C233-G237 WeakPolarHBondContact CA-O 3.24Å; N235-G237 PolarHBondContact O-N 3.16Å
238	K	91.6	Very high	87.9	Confident	108 Å²	108	47.4 Å²	47.4	47%	0.47	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.9	174	-175.4	-173.4	-178.4	-171.5	0	109.9	L213 T214 I215 E247	L213-K238 PolarHBondContact O-N 3.08Å; T214-K238 CarbonylContact C-O 3.55Å; T214-K238 VanDerWaalsContact CA-O 3.31Å; T214-K238 WeakPolarHBondContact CA-O 3.47Å; T214-K238 HydrophobicContact CG2-CB 4.44Å; T214-K238 HydrophobicContact CG2-CD 4.15Å; T214-K238 HydrophobicContact CG2-CG 4.38Å; I215-K238 PolarHBondContact N-O 3.01Å; K238-E247 IonicContact NZ-OE1 2.94Å; K238-E247 PolarHBondContact NZ-OE1 3.18Å
239	F	91	Very high	87.9	Confident	39 Å²	39	49.4 Å²	49.4	17%	0.171	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	133.2	169	179.7	-94.1	0	0	0	111.3	V217 R225 R229 I232	V217-F239 HydrophobicContact CG1-CE2 4.19Å; V217-F239 HydrophobicContact CG2-CE2 3.77Å; V217-F239 HydrophobicContact CG2-CZ 3.97Å; R225-F239 HydrophobicContact CG-CE2 4.45Å; R225-F239 HydrophobicContact CG-CZ 3.81Å; R229-F239 HydrophobicContact CB-CB 4.27Å; R229-F239 HydrophobicContact CB-CD1 3.96Å; R229-F239 HydrophobicContact CB-CD2 3.81Å; R229-F239 HydrophobicContact CB-CE1 4.21Å; R229-F239 HydrophobicContact CB-CE2 4.04Å; R229-F239 HydrophobicContact CB-CG 3.75Å; R229-F239 HydrophobicContact CB-CZ 4.24Å; R229-F239 HydrophobicContact CG-CB 3.78Å; R229-F239 HydrophobicContact CG-CD1 3.62Å; R229-F239 HydrophobicContact CG-CD2 4.21Å; R229-F239 HydrophobicContact CG-CE1 4.22Å; R229-F239 HydrophobicContact CG-CG 3.61Å; I232-F239 HydrophobicContact CD1-CD2 3.95Å; I232-F239 HydrophobicContact CG2-CB 4.35Å
240	S	86.8	Confident	88.1	Confident	16 Å²	16	44.9 Å²	44.9	11%	0.112	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.3	168.2	-177.4	0	0	0	0	111.7	I215 T216 A242	I215-S240 PolarHBondContact O-N 3.24Å; T216-S240 WeakPolarHBondContact CA-O 3.47Å; T216-S240 PolarHBondContact OG1-O 3.49Å; S240-A242 VanDerWaalsContact C-N 3.27Å; S240-A242 WeakPolarHBondContact CB-O 3.29Å; S240-A242 PolarHBondContact O-N 2.97Å; S240-A242 PolarHBondContact OG-N 2.97Å; S240-A242 PolarHBondContact OG-O 3.07Å
241	G	81.6	Confident	88.3	Confident	47 Å²	47	42 Å²	42	49%	0.485	25%	0.249	S	C	.	.	S	Bend	trans	-69.7	-25.1	171.8	0	0	0	0	0	113.1	K260	G241-K260 PolarHBondContact O-NZ 3.08Å
242	A	83.3	Confident	88.3	Confident	50 Å²	50	40.2 Å²	40.2	41%	0.413	24%	0.24	S	C	.	.	S	Bend	trans	-107.5	139.3	-179.7	0	0	0	0	0	111.2	T216 S240 V244	T216-A242 PolarHBondContact OG1-O 3.28Å; S240-A242 VanDerWaalsContact C-N 3.27Å; S240-A242 WeakPolarHBondContact CB-O 3.29Å; S240-A242 PolarHBondContact O-N 2.97Å; S240-A242 PolarHBondContact OG-N 2.97Å; S240-A242 PolarHBondContact OG-O 3.07Å; A242-V244 HydrophobicContact CB-CG2 4.11Å; A242-V244 PolarHBondContact O-N 3.06Å
243	L	82.3	Confident	88.2	Confident	30 Å²	30	40.3 Å²	40.3	16%	0.157	24%	0.241	C	C	.	.			trans	-82	111.2	171.7	173.7	62.7	0	0	0	108.3	T216 T248 L251 K260 A263 A264 W267	T216-L243 HydrophobicContact CG2-CB 4.17Å; L243-T248 HydrophobicContact CD1-CG2 3.77Å; L243-L251 HydrophobicContact CD2-CD2 4.49Å; L243-K260 HydrophobicContact CB-CD 4.35Å; L243-K260 HydrophobicContact CB-CG 4.19Å; L243-K260 HydrophobicContact CD2-CB 3.91Å; L243-K260 HydrophobicContact CD2-CG 4.39Å; L243-K260 WeakPolarHBondContact CD2-O 3.29Å; L243-A263 HydrophobicContact CD2-CB 4Å; L243-A264 HydrophobicContact CD1-CB 4.49Å; L243-A264 HydrophobicContact CD2-CB 3.92Å; L243-W267 HydrophobicContact CD1-CH2 3.72Å; L243-W267 HydrophobicContact CD1-CZ3 3.73Å; L243-W267 HydrophobicContact CD2-CH2 4.18Å; L243-W267 HydrophobicContact CG-CH2 3.53Å; L243-W267 HydrophobicContact CG-CZ2 4.22Å; L243-W267 HydrophobicContact CG-CZ3 4.06Å
244	V	83.1	Confident	88	Confident	23 Å²	23	40.2 Å²	40.2	14%	0.139	24%	0.236	C	C	.	.			trans	-120.3	124.3	-173.3	-179	0	0	0	0	110.2	A242 E247 T248 D669 V670	A242-V244 HydrophobicContact CB-CG2 4.11Å; A242-V244 PolarHBondContact O-N 3.06Å; V244-E247 HydrophobicContact CB-CB 4.09Å; V244-E247 HydrophobicContact CG1-CB 3.87Å; V244-E247 PolarHBondContact O-N 2.86Å; V244-T248 PolarHBondContact N-OG1 3.43Å; V244-T248 WeakPolarHBondContact O-CB 3.46Å; V244-T248 PolarHBondContact O-N 3.13Å; V244-T248 PolarHBondContact O-OG1 3Å; V244-D669 HydrophobicContact CG1-CB 4.46Å; V244-V670 HydrophobicContact CG1-CG2 4.41Å; V244-V670 HydrophobicContact CG2-CG2 4.13Å
245	Q	74.4	Confident	87.5	Confident	74 Å²	74	41 Å²	41	35%	0.346	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	135.9	-176.7	-163.3	174.1	3.3	0	0	110.9	E247 W267	Q245-E247 PolarHBondContact O-N 2.68Å; Q245-W267 VanDerWaalsContact CA-CZ3 3.44Å; Q245-W267 HydrophobicContact CB-CD2 4.14Å; Q245-W267 HydrophobicContact CB-CE3 4.14Å; Q245-W267 HydrophobicContact CB-CH2 3.61Å; Q245-W267 HydrophobicContact CB-CZ2 3.6Å; Q245-W267 HydrophobicContact CB-CZ3 3.88Å; Q245-W267 HydrophobicContact CG-CD2 3.68Å; Q245-W267 HydrophobicContact CG-CE3 3.81Å; Q245-W267 HydrophobicContact CG-CG 4.16Å; Q245-W267 HydrophobicContact CG-CH2 4.21Å; Q245-W267 HydrophobicContact CG-CZ2 4.1Å; Q245-W267 HydrophobicContact CG-CZ3 4.07Å
246	N	77.2	Confident	87.1	Confident	83 Å²	83	43.6 Å²	43.6	44%	0.444	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	-6.3	-174.4	-39.6	-71.5	0	0	0	116.1	N270	N246-N270 PolarHBondContact OD1-ND2 3.15Å
247	E	85.9	Confident	86.7	Confident	47 Å²	47	45 Å²	45	22%	0.22	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-46.2	171	-175.5	-173.4	174.3	0	0	111.2	T214 K238 V244 Q245 T249	T214-E247 VanDerWaalsContact CB-O 3.26Å; T214-E247 WeakPolarHBondContact CB-O 3.48Å; T214-E247 HydrophobicContact CG2-CG 4.39Å; K238-E247 IonicContact NZ-OE1 2.94Å; K238-E247 PolarHBondContact NZ-OE1 3.18Å; V244-E247 HydrophobicContact CB-CB 4.09Å; V244-E247 HydrophobicContact CG1-CB 3.87Å; V244-E247 PolarHBondContact O-N 2.86Å; Q245-E247 PolarHBondContact O-N 2.68Å; E247-T249 PolarHBondContact O-N 2.83Å
248	T	87.2	Confident	86.3	Confident	6 Å²	6	47 Å²	47	4%	0.037	28%	0.276	C	S	.	.			trans	-70	128.7	176	-55.5	0	0	0	0	109.5	L243 V244 H250 V272	L243-T248 HydrophobicContact CD1-CG2 3.77Å; V244-T248 PolarHBondContact N-OG1 3.43Å; V244-T248 WeakPolarHBondContact O-CB 3.46Å; V244-T248 PolarHBondContact O-N 3.13Å; V244-T248 PolarHBondContact O-OG1 3Å; T248-H250 WeakPolarHBondContact CG2-O 3.39Å; T248-V272 HydrophobicContact CG2-CG1 4.4Å; T248-V272 HydrophobicContact CG2-CG2 4.38Å; T248-V272 WeakPolarHBondContact O-CG2 3.48Å
249	T	91	Very high	85.9	Confident	42 Å²	42	50.3 Å²	50.3	26%	0.258	29%	0.294	S	S	.	.			trans	-94.5	-37.8	174.5	62.1	0	0	0	0	111.2	T214 E247 H273	T214-T249 PolarHBondContact N-OG1 3.25Å; T214-T249 VanDerWaalsContact N-OG1 3.07Å; T214-T249 PolarHBondContact O-N 3.4Å; T214-T249 PolarHBondContact O-OG1 3.11Å; E247-T249 PolarHBondContact O-N 2.83Å; T249-H273 PolarHBondContact O-N 3.32Å
250	H	93.6	Very high	85.7	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.019	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.2	-173	-69.6	72.2	0	0	0	111.9	T214 I215 T216 T248 H273 W279 E292	T214-H250 PolarHBondContact O-N 2.86Å; I215-H250 HydrophobicContact CB-CB 4.42Å; I215-H250 HydrophobicContact CG1-CB 4.12Å; I215-H250 HydrophobicContact CG2-CB 4.17Å; T216-H250 PolarHBondContact N-O 2.94Å; T248-H250 WeakPolarHBondContact CG2-O 3.39Å; H250-H273 CarbonylContact C-O 3.59Å; H250-H273 WeakPolarHBondContact CA-O 3.17Å; H250-W279 AromaticContact CD2-CH2 3.33Å; H250-W279 WeakPolarHBondContact CD2-CH2 3.47Å; H250-W279 AromaticContact CD2-CZ2 3.56Å; H250-W279 AromaticContact CD2-CZ3 3.83Å; H250-W279 AromaticContact CG-CH2 3.81Å; H250-W279 AromaticContact NE2-CH2 3.58Å; H250-W279 AromaticContact NE2-CZ2 3.41Å; H250-W279 WeakPolarHBondContact NE2-CZ2 3.31Å; H250-E292 IonicContact CE1-OE1 3.08Å; H250-E292 WeakPolarHBondContact NE2-CG 3.3Å; H250-E292 IonicContact NE2-OE1 2.66Å; H250-E292 PolarHBondContact NE2-OE1 3.28Å
251	L	93.6	Very high	85.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	113.3	166.5	176.8	66.4	0	0	0	108.7	T216 L243 K260 A264 V272 H273 I274 V275	T216-L251 HydrophobicContact CG2-CD1 4.09Å; T216-L251 CarbonylContact O-C 3.58Å; T216-L251 WeakPolarHBondContact O-CA 3.42Å; L243-L251 HydrophobicContact CD2-CD2 4.49Å; L251-K260 HydrophobicContact CD1-CB 4.13Å; L251-K260 HydrophobicContact CD1-CD 4.38Å; L251-K260 HydrophobicContact CD2-CB 4.35Å; L251-A264 HydrophobicContact CB-CB 4.49Å; L251-A264 HydrophobicContact CD2-CB 3.59Å; L251-V272 HydrophobicContact CB-CG1 3.64Å; L251-V272 VanDerWaalsContact N-CG1 3.27Å; L251-H273 PolarHBondContact N-O 2.92Å; L251-I274 HydrophobicContact CB-CG1 4.43Å; L251-I274 HydrophobicContact CD2-CG1 4.47Å; L251-I274 WeakPolarHBondContact O-CA 3.46Å; L251-V275 PolarHBondContact O-N 3.21Å
252	V	93.6	Very high	85.9	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	116.8	174.8	-178.5	0	0	0	0	109.1	I215 T216 V217 S218 V275 L280	I215-V252 HydrophobicContact CG2-CG2 3.64Å; T216-V252 PolarHBondContact O-N 2.97Å; V217-V252 CarbonylContact C-O 3.43Å; V217-V252 WeakPolarHBondContact CA-O 3.48Å; V217-V252 HydrophobicContact CG1-CB 4.08Å; V217-V252 HydrophobicContact CG1-CG1 4.48Å; S218-V252 PolarHBondContact N-O 3.16Å; V252-V275 CarbonylContact C-O 3.48Å; V252-V275 VanDerWaalsContact CA-O 3.27Å; V252-V275 WeakPolarHBondContact CA-O 3.48Å; V252-V275 HydrophobicContact CG2-CG2 4.01Å; V252-L280 HydrophobicContact CG1-CD1 4.08Å; V252-L280 HydrophobicContact CG2-CD1 3.96Å; V252-L280 HydrophobicContact CG2-CD2 4.47Å; V252-L280 HydrophobicContact CG2-CG 4.1Å
253	A	91	Very high	85.9	Confident	2 Å²	2	51.7 Å²	51.7	2%	0.017	29%	0.288	C	S	.	.			trans	-153.4	128.5	178.6	0	0	0	0	0	110.8	V275 L297	A253-V275 PolarHBondContact N-O 3.45Å; A253-L297 HydrophobicContact CB-CD1 4.38Å; A253-L297 WeakPolarHBondContact O-CD1 3.21Å
254	D	88.1	Confident	86.1	Confident	61 Å²	61	50.3 Å²	50.3	33%	0.326	28%	0.281	S	S	.	.	S	Bend	trans	-89.4	-9.1	179.9	-64.8	-47.2	0	0	0	114	R276 S277	D254-R276 WeakPolarHBondContact OD1-CA 3.49Å; D254-R276 WeakPolarHBondContact OD1-CB 3.3Å; D254-S277 PolarHBondContact OD1-N 2.63Å; D254-S277 PolarHBondContact OD1-OG 3.48Å; D254-S277 VanDerWaalsContact OD2-CB 3.32Å; D254-S277 WeakPolarHBondContact OD2-CB 3.13Å; D254-S277 PolarHBondContact OD2-OG 3.32Å
255	K	85.8	Confident	86.2	Confident	153 Å²	153	52.1 Å²	52.1	67%	0.665	29%	0.294	S	S	*	.	S	Bend	trans	-133.7	139.5	178	-63.6	-178.3	-178	178.9	0	109.5	S257	K255-S257 WeakPolarHBondContact CB-OG 3.37Å; K255-S257 PolarHBondContact O-N 3.21Å
256	P	86	Confident	86.6	Confident	88 Å²	88	58.1 Å²	58.1	57%	0.571	31%	0.314	S	S	*	.	S	Bend	trans	-74.6	62.8	178.4	32.8	-36.8	0	0	0	111.4	Y261 L297	P256-Y261 HydrophobicContact CB-CD1 4.27Å; P256-Y261 HydrophobicContact CB-CE1 3.61Å; P256-Y261 HydrophobicContact CB-CE2 3.88Å; P256-Y261 WeakPolarHBondContact CB-OH 3.48Å; P256-L297 HydrophobicContact CB-CD1 4.4Å
257	S	82.8	Confident	86.5	Confident	63 Å²	63	56.1 Å²	56.1	44%	0.441	30%	0.3	S	S	.	.			trans	-149.3	157.8	-166	68.3	0	0	0	0	112.7	K255 Y261	K255-S257 WeakPolarHBondContact CB-OG 3.37Å; K255-S257 PolarHBondContact O-N 3.21Å; S257-Y261 VanDerWaalsContact O-CB 3.31Å; S257-Y261 WeakPolarHBondContact O-CB 3.34Å
258	G	81.8	Confident	85.6	Confident	49 Å²	49	60.5 Å²	60.5	51%	0.505	33%	0.33	S	S	.	.	H	α-helix	trans	85.1	161.7	179.6	0	0	0	0	0	114.4	K260 Y261 A262	G258-K260 VanDerWaalsContact C-N 3.32Å; G258-K260 PolarHBondContact O-N 3.48Å; G258-Y261 PolarHBondContact O-N 2.7Å; G258-A262 PolarHBondContact O-N 3.43Å; G258-A262 VanDerWaalsContact O-N 3.1Å
259	Q	83.3	Confident	83.8	Confident	179 Å²	179	64.6 Å²	64.6	84%	0.836	36%	0.355	S	S	*	.	H	α-helix	trans	-60.4	-37.7	-171.9	-65.5	176.4	-3.3	0	0	113.1	A262 A263	Q259-A262 PolarHBondContact O-N 3.34Å; Q259-A263 WeakPolarHBondContact O-CB 3.3Å; Q259-A263 PolarHBondContact O-N 3.38Å
260	K	86.5	Confident	82.3	Confident	46 Å²	46	67.6 Å²	67.6	20%	0.2	37%	0.369	C	S	.	.	H	α-helix	trans	-64.2	-46.4	177.7	-67.9	-173.8	178.2	-170.1	0	112.3	T216 V217 G241 L243 L251 G258 A262 A263 A264	T216-K260 HydrophobicContact CG2-CD 3.94Å; V217-K260 WeakPolarHBondContact O-CD 3.15Å; V217-K260 PolarHBondContact O-NZ 3.21Å; G241-K260 PolarHBondContact O-NZ 3.08Å; L243-K260 HydrophobicContact CB-CD 4.35Å; L243-K260 HydrophobicContact CB-CG 4.19Å; L243-K260 HydrophobicContact CD2-CB 3.91Å; L243-K260 HydrophobicContact CD2-CG 4.39Å; L243-K260 WeakPolarHBondContact CD2-O 3.29Å; L251-K260 HydrophobicContact CD1-CB 4.13Å; L251-K260 HydrophobicContact CD1-CD 4.38Å; L251-K260 HydrophobicContact CD2-CB 4.35Å; G258-K260 VanDerWaalsContact C-N 3.32Å; G258-K260 PolarHBondContact O-N 3.48Å; K260-A262 VanDerWaalsContact C-N 3.35Å; K260-A262 PolarHBondContact O-N 3.37Å; K260-A263 PolarHBondContact O-N 3.24Å; K260-A264 WeakPolarHBondContact O-CB 3.41Å; K260-A264 PolarHBondContact O-N 3.16Å
261	Y	88.3	Confident	81.5	Confident	58 Å²	58	75.1 Å²	75.1	23%	0.227	40%	0.402	C	S	.	.	H	α-helix	trans	-60.7	-46	176.2	175.2	-93.6	0	0	0	111.1	P256 S257 G258 A263 A264 S265 I274 L297	P256-Y261 HydrophobicContact CB-CD1 4.27Å; P256-Y261 HydrophobicContact CB-CE1 3.61Å; P256-Y261 HydrophobicContact CB-CE2 3.88Å; P256-Y261 WeakPolarHBondContact CB-OH 3.48Å; S257-Y261 VanDerWaalsContact O-CB 3.31Å; S257-Y261 WeakPolarHBondContact O-CB 3.34Å; G258-Y261 PolarHBondContact O-N 2.7Å; Y261-A263 VanDerWaalsContact C-N 3.31Å; Y261-A263 PolarHBondContact O-N 2.87Å; Y261-A264 PolarHBondContact O-N 3.2Å; Y261-S265 VanDerWaalsContact O-CB 3.25Å; Y261-S265 WeakPolarHBondContact O-CB 3.38Å; Y261-S265 PolarHBondContact O-N 3.22Å; Y261-S265 PolarHBondContact O-OG 3.27Å; Y261-I274 HydrophobicContact CD2-CD1 4.18Å; Y261-I274 HydrophobicContact CD2-CG2 3.93Å; Y261-I274 HydrophobicContact CE2-CD1 4.09Å; Y261-I274 HydrophobicContact CE2-CG2 3.96Å; Y261-L297 HydrophobicContact CD2-CD1 3.93Å; Y261-L297 HydrophobicContact CE2-CD1 3.62Å
262	A	84.7	Confident	81.1	Confident	40 Å²	40	75.3 Å²	75.3	33%	0.331	40%	0.403	S	S	.	.	H	α-helix	trans	-62.9	-34.8	177.9	0	0	0	0	0	113	G258 Q259 K260 R266	G258-A262 PolarHBondContact O-N 3.43Å; G258-A262 VanDerWaalsContact O-N 3.1Å; Q259-A262 PolarHBondContact O-N 3.34Å; K260-A262 VanDerWaalsContact C-N 3.35Å; K260-A262 PolarHBondContact O-N 3.37Å; A262-R266 WeakPolarHBondContact O-CD 3.35Å; A262-R266 VanDerWaalsContact O-CG 3.25Å; A262-R266 WeakPolarHBondContact O-CG 3.47Å; A262-R266 PolarHBondContact O-NE 3.33Å
263	A	84.4	Confident	80.9	Confident	36 Å²	36	79.2 Å²	79.2	30%	0.298	42%	0.421	S	S	.	.	H	α-helix	trans	-71.5	-53.2	175	0	0	0	0	0	112	L243 Q259 K260 Y261 S265 R266 W267	L243-A263 HydrophobicContact CD2-CB 4Å; Q259-A263 WeakPolarHBondContact O-CB 3.3Å; Q259-A263 PolarHBondContact O-N 3.38Å; K260-A263 PolarHBondContact O-N 3.24Å; Y261-A263 VanDerWaalsContact C-N 3.31Å; Y261-A263 PolarHBondContact O-N 2.87Å; A263-S265 VanDerWaalsContact C-N 3.28Å; A263-S265 PolarHBondContact O-N 3.49Å; A263-R266 PolarHBondContact O-N 3.45Å; A263-W267 PolarHBondContact O-NE1 3.49Å
264	A	85.9	Confident	80.9	Confident	2 Å²	2	80.3 Å²	80.3	2%	0.017	43%	0.427	C	S	.	.	H	α-helix	trans	-59.1	-39.2	179.5	0	0	0	0	0	112.3	L243 L251 K260 Y261 R266 W267 V272 I274	L243-A264 HydrophobicContact CD1-CB 4.49Å; L243-A264 HydrophobicContact CD2-CB 3.92Å; L251-A264 HydrophobicContact CB-CB 4.49Å; L251-A264 HydrophobicContact CD2-CB 3.59Å; K260-A264 WeakPolarHBondContact O-CB 3.41Å; K260-A264 PolarHBondContact O-N 3.16Å; Y261-A264 PolarHBondContact O-N 3.2Å; A264-R266 PolarHBondContact O-N 3.14Å; A264-W267 PolarHBondContact O-N 3.2Å; A264-W267 VanDerWaalsContact O-N 3.14Å; A264-V272 HydrophobicContact CB-CB 4.39Å; A264-V272 HydrophobicContact CB-CG1 4.46Å; A264-I274 HydrophobicContact CB-CD1 3.9Å; A264-I274 HydrophobicContact CB-CG1 4.16Å
265	S	84.8	Confident	81.1	Confident	60 Å²	60	77.4 Å²	77.4	42%	0.42	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.5	178.8	-57.2	0	0	0	0	113.8	Y261 A263 I274	Y261-S265 VanDerWaalsContact O-CB 3.25Å; Y261-S265 WeakPolarHBondContact O-CB 3.38Å; Y261-S265 PolarHBondContact O-N 3.22Å; Y261-S265 PolarHBondContact O-OG 3.27Å; A263-S265 VanDerWaalsContact C-N 3.28Å; A263-S265 PolarHBondContact O-N 3.49Å; S265-I274 WeakPolarHBondContact OG-CD1 3.48Å
266	R	82.8	Confident	81.4	Confident	201 Å²	201	71.8 Å²	71.8	76%	0.758	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-9.8	176.5	-69.4	170.2	-171.4	-170.5	2.2	113.1	A262 A263 A264 V268	A262-R266 WeakPolarHBondContact O-CD 3.35Å; A262-R266 VanDerWaalsContact O-CG 3.25Å; A262-R266 WeakPolarHBondContact O-CG 3.47Å; A262-R266 PolarHBondContact O-NE 3.33Å; A263-R266 PolarHBondContact O-N 3.45Å; A264-R266 PolarHBondContact O-N 3.14Å; R266-V268 PolarHBondContact O-N 3.15Å
267	W	76.2	Confident	81.6	Confident	40 Å²	40	68.6 Å²	68.6	15%	0.152	37%	0.366	C	S	.	.			trans	-81.8	104.6	-177.2	-64.2	-12.1	0	0	0	110.9	L243 Q245 A263 A264 V272	L243-W267 HydrophobicContact CD1-CH2 3.72Å; L243-W267 HydrophobicContact CD1-CZ3 3.73Å; L243-W267 HydrophobicContact CD2-CH2 4.18Å; L243-W267 HydrophobicContact CG-CH2 3.53Å; L243-W267 HydrophobicContact CG-CZ2 4.22Å; L243-W267 HydrophobicContact CG-CZ3 4.06Å; Q245-W267 VanDerWaalsContact CA-CZ3 3.44Å; Q245-W267 HydrophobicContact CB-CD2 4.14Å; Q245-W267 HydrophobicContact CB-CE3 4.14Å; Q245-W267 HydrophobicContact CB-CH2 3.61Å; Q245-W267 HydrophobicContact CB-CZ2 3.6Å; Q245-W267 HydrophobicContact CB-CZ3 3.88Å; Q245-W267 HydrophobicContact CG-CD2 3.68Å; Q245-W267 HydrophobicContact CG-CE3 3.81Å; Q245-W267 HydrophobicContact CG-CG 4.16Å; Q245-W267 HydrophobicContact CG-CH2 4.21Å; Q245-W267 HydrophobicContact CG-CZ2 4.1Å; Q245-W267 HydrophobicContact CG-CZ3 4.07Å; A263-W267 PolarHBondContact O-NE1 3.49Å; A264-W267 PolarHBondContact O-N 3.2Å; A264-W267 VanDerWaalsContact O-N 3.14Å; W267-V272 HydrophobicContact CE3-CB 4.44Å; W267-V272 HydrophobicContact CE3-CG2 3.57Å; W267-V272 HydrophobicContact CZ3-CG2 3.56Å
268	V	65.8	Low	81.9	Confident	139 Å²	139	66.3 Å²	66.3	84%	0.842	35%	0.348	S	S	*	.			trans	-81	-35.6	176.1	-172.4	0	0	0	0	111.2	R266	R266-V268 PolarHBondContact O-N 3.15Å
269	T	49.3	Very low	82.5	Confident	92 Å²	92	64 Å²	64	56%	0.564	32%	0.324	S	S	*	.	S	Bend	trans	-93.9	135.6	176.1	49.7	0	0	0	0	110.8	K271	T269-K271 PolarHBondContact O-N 2.95Å
270	N	60.8	Low	83	Confident	105 Å²	105	55.5 Å²	55.5	56%	0.561	28%	0.284	S	S	*	.	S	Bend	trans	46.6	57.8	-173.1	-66.7	-29.2	0	0	0	111.9	N246 V272	N246-N270 PolarHBondContact OD1-ND2 3.15Å; N270-V272 PolarHBondContact O-N 3.45Å
271	K	75.2	Confident	83.2	Confident	163 Å²	163	57.3 Å²	57.3	71%	0.709	29%	0.291	S	S	*	.			trans	-56.5	118.7	-175.7	-176.5	178.3	179.4	-178.1	0	110.7	T269	T269-K271 PolarHBondContact O-N 2.95Å
272	V	85.7	Confident	83.3	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.018	29%	0.29	C	S	.	.			trans	-66.6	135.9	173.2	169	0	0	0	0	110	T248 L251 A264 W267 N270 I274	T248-V272 HydrophobicContact CG2-CG1 4.4Å; T248-V272 HydrophobicContact CG2-CG2 4.38Å; T248-V272 WeakPolarHBondContact O-CG2 3.48Å; L251-V272 HydrophobicContact CB-CG1 3.64Å; L251-V272 VanDerWaalsContact N-CG1 3.27Å; A264-V272 HydrophobicContact CB-CB 4.39Å; A264-V272 HydrophobicContact CB-CG1 4.46Å; W267-V272 HydrophobicContact CE3-CB 4.44Å; W267-V272 HydrophobicContact CE3-CG2 3.57Å; W267-V272 HydrophobicContact CZ3-CG2 3.56Å; N270-V272 PolarHBondContact O-N 3.45Å; V272-I274 PolarHBondContact O-N 3Å
273	H	90.2	Very high	83.7	Confident	83 Å²	83	55 Å²	55	38%	0.384	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	108.2	171.8	-67.4	-107.4	0	0	0	108.9	T249 H250 L251 V275 E292	T249-H273 PolarHBondContact O-N 3.32Å; H250-H273 CarbonylContact C-O 3.59Å; H250-H273 WeakPolarHBondContact CA-O 3.17Å; L251-H273 PolarHBondContact N-O 2.92Å; H273-V275 HydrophobicContact CB-CG1 4.47Å; H273-E292 HydrophobicContact CB-CB 4.06Å; H273-E292 HydrophobicContact CB-CG 3.88Å; H273-E292 IonicContact CE1-OE2 3.22Å; H273-E292 WeakPolarHBondContact ND1-CB 3.37Å; H273-E292 WeakPolarHBondContact ND1-CG 3.25Å; H273-E292 IonicContact ND1-OE2 2.73Å; H273-E292 PolarHBondContact ND1-OE2 3.05Å
274	I	91.2	Very high	84.1	Confident	26 Å²	26	55 Å²	55	13%	0.133	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	108.6	175	-53.4	178	0	0	0	108.1	L251 Y261 A264 S265 V272 S296 L297	L251-I274 HydrophobicContact CB-CG1 4.43Å; L251-I274 HydrophobicContact CD2-CG1 4.47Å; L251-I274 WeakPolarHBondContact O-CA 3.46Å; Y261-I274 HydrophobicContact CD2-CD1 4.18Å; Y261-I274 HydrophobicContact CD2-CG2 3.93Å; Y261-I274 HydrophobicContact CE2-CD1 4.09Å; Y261-I274 HydrophobicContact CE2-CG2 3.96Å; A264-I274 HydrophobicContact CB-CD1 3.9Å; A264-I274 HydrophobicContact CB-CG1 4.16Å; S265-I274 WeakPolarHBondContact OG-CD1 3.48Å; V272-I274 PolarHBondContact O-N 3Å; I274-S296 PolarHBondContact O-OG 2.86Å; I274-L297 HydrophobicContact CG2-CD1 3.91Å; I274-L297 HydrophobicContact CG2-CG 4.49Å
275	V	91.8	Very high	84.4	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	155.4	-175.2	-63.3	0	0	0	0	111	L251 V252 A253 H273 W279 E292 F295	L251-V275 PolarHBondContact O-N 3.21Å; V252-V275 CarbonylContact C-O 3.48Å; V252-V275 VanDerWaalsContact CA-O 3.27Å; V252-V275 WeakPolarHBondContact CA-O 3.48Å; V252-V275 HydrophobicContact CG2-CG2 4.01Å; A253-V275 PolarHBondContact N-O 3.45Å; H273-V275 HydrophobicContact CB-CG1 4.47Å; V275-W279 HydrophobicContact CB-CB 4.15Å; V275-W279 HydrophobicContact CB-CD2 4.44Å; V275-W279 HydrophobicContact CB-CG 4.27Å; V275-W279 HydrophobicContact CG1-CG 4.43Å; V275-W279 HydrophobicContact CG2-CB 4.32Å; V275-W279 HydrophobicContact CG2-CD2 3.97Å; V275-W279 HydrophobicContact CG2-CE3 3.64Å; V275-W279 HydrophobicContact CG2-CG 4.28Å; V275-W279 HydrophobicContact CG2-CZ3 4.23Å; V275-E292 HydrophobicContact CG1-CB 3.69Å; V275-E292 HydrophobicContact CG1-CG 4.26Å; V275-F295 VanDerWaalsContact CA-O 3.3Å; V275-F295 WeakPolarHBondContact CA-O 3.47Å
276	R	92.3	Very high	84.6	Confident	35 Å²	35	63.7 Å²	63.7	13%	0.132	31%	0.308	C	S	.	.			trans	-75.4	166	168.9	-66.5	-177.2	-45.8	-136.1	9.1	111.6	D254 D278 W279 F295 L297 Y363	D254-R276 WeakPolarHBondContact OD1-CA 3.49Å; D254-R276 WeakPolarHBondContact OD1-CB 3.3Å; R276-D278 VanDerWaalsContact C-N 3.29Å; R276-D278 WeakPolarHBondContact CB-OD1 3.37Å; R276-D278 IonicContact CZ-OD1 2.78Å; R276-D278 IonicContact CZ-OD2 3.42Å; R276-D278 IonicContact NE-OD1 3.02Å; R276-D278 PolarHBondContact NE-OD1 3.37Å; R276-D278 IonicContact NE-OD2 2.69Å; R276-D278 IonicContact NH2-OD1 3.52Å; R276-D278 PolarHBondContact NH2-OD1 2.93Å; R276-D278 IonicContact NH2-OD2 3.37Å; R276-D278 PolarHBondContact NH2-OD2 2.95Å; R276-D278 PolarHBondContact O-N 2.83Å; R276-W279 WeakPolarHBondContact O-CB 3.3Å; R276-W279 PolarHBondContact O-N 3.5Å; R276-F295 PolarHBondContact N-O 2.95Å; R276-F295 VanDerWaalsContact N-O 3.07Å; R276-L297 HydrophobicContact CG-CD2 3.83Å; R276-L297 HydrophobicContact CG-CG 4.38Å; R276-Y363 PolarHBondContact NE-OH 3.12Å; R276-Y363 VanDerWaalsContact NH1-CE2 3.31Å; R276-Y363 VanDerWaalsContact NH2-CE2 3.33Å
277	S	90.6	Very high	84.9	Confident	21 Å²	21	54.9 Å²	54.9	15%	0.147	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.9	178.5	61	0	0	0	0	113.5	D254 W279 L280 Y281	D254-S277 PolarHBondContact OD1-N 2.63Å; D254-S277 PolarHBondContact OD1-OG 3.48Å; D254-S277 VanDerWaalsContact OD2-CB 3.32Å; D254-S277 WeakPolarHBondContact OD2-CB 3.13Å; D254-S277 PolarHBondContact OD2-OG 3.32Å; S277-W279 PolarHBondContact O-N 2.86Å; S277-L280 WeakPolarHBondContact O-CB 3.39Å; S277-L280 PolarHBondContact O-N 2.83Å; S277-Y281 WeakPolarHBondContact O-CD2 3.43Å
278	D	89.3	Confident	85.7	Confident	15 Å²	15	53.6 Å²	53.6	8%	0.08	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-28.1	175.7	73.2	-45.5	0	0	0	113.2	R276 L280 K282 F295 Y363	R276-D278 VanDerWaalsContact C-N 3.29Å; R276-D278 WeakPolarHBondContact CB-OD1 3.37Å; R276-D278 IonicContact CZ-OD1 2.78Å; R276-D278 IonicContact CZ-OD2 3.42Å; R276-D278 IonicContact NE-OD1 3.02Å; R276-D278 PolarHBondContact NE-OD1 3.37Å; R276-D278 IonicContact NE-OD2 2.69Å; R276-D278 IonicContact NH2-OD1 3.52Å; R276-D278 PolarHBondContact NH2-OD1 2.93Å; R276-D278 IonicContact NH2-OD2 3.37Å; R276-D278 PolarHBondContact NH2-OD2 2.95Å; R276-D278 PolarHBondContact O-N 2.83Å; D278-L280 VanDerWaalsContact C-N 3.33Å; D278-L280 PolarHBondContact O-N 3.22Å; D278-K282 VanDerWaalsContact O-CB 3.3Å; D278-K282 WeakPolarHBondContact O-CB 3.41Å; D278-K282 VanDerWaalsContact O-CG 3.31Å; D278-K282 WeakPolarHBondContact O-CG 3.44Å; D278-K282 PolarHBondContact O-N 3.21Å; D278-F295 HydrophobicContact CB-CE1 4.44Å; D278-F295 VanDerWaalsContact OD2-CE1 3.3Å; D278-F295 WeakPolarHBondContact OD2-CE1 3.47Å; D278-Y363 HydrophobicContact CB-CE1 4.5Å; D278-Y363 VanDerWaalsContact CG-OH 3.28Å; D278-Y363 PolarHBondContact OD1-OH 3.45Å; D278-Y363 PolarHBondContact OD2-OH 2.92Å
279	W	93.9	Very high	87	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-40.5	172.4	172.3	80.8	0	0	0	112.6	F210 L213 I215 H250 V275 R276 S277 S283 L290 F295	F210-W279 AromaticContact CD1-CH2 4Å; F210-W279 HydrophobicContact CD1-CH2 4Å; F210-W279 HydrophobicContact CD1-CZ2 4.42Å; F210-W279 AromaticContact CE1-CH2 3.91Å; F210-W279 HydrophobicContact CE1-CH2 3.91Å; F210-W279 HydrophobicContact CE1-CZ2 4.23Å; F210-W279 HydrophobicContact CE1-CZ3 4.14Å; L213-W279 HydrophobicContact CD1-CH2 3.78Å; L213-W279 HydrophobicContact CD1-CZ2 4.05Å; I215-W279 HydrophobicContact CD1-CH2 4.01Å; I215-W279 HydrophobicContact CD1-CZ3 4Å; H250-W279 AromaticContact CD2-CH2 3.33Å; H250-W279 WeakPolarHBondContact CD2-CH2 3.47Å; H250-W279 AromaticContact CD2-CZ2 3.56Å; H250-W279 AromaticContact CD2-CZ3 3.83Å; H250-W279 AromaticContact CG-CH2 3.81Å; H250-W279 AromaticContact NE2-CH2 3.58Å; H250-W279 AromaticContact NE2-CZ2 3.41Å; H250-W279 WeakPolarHBondContact NE2-CZ2 3.31Å; V275-W279 HydrophobicContact CB-CB 4.15Å; V275-W279 HydrophobicContact CB-CD2 4.44Å; V275-W279 HydrophobicContact CB-CG 4.27Å; V275-W279 HydrophobicContact CG1-CG 4.43Å; V275-W279 HydrophobicContact CG2-CB 4.32Å; V275-W279 HydrophobicContact CG2-CD2 3.97Å; V275-W279 HydrophobicContact CG2-CE3 3.64Å; V275-W279 HydrophobicContact CG2-CG 4.28Å; V275-W279 HydrophobicContact CG2-CZ3 4.23Å; R276-W279 WeakPolarHBondContact O-CB 3.3Å; R276-W279 PolarHBondContact O-N 3.5Å; S277-W279 PolarHBondContact O-N 2.86Å; W279-S283 WeakPolarHBondContact O-CB 3.29Å; W279-S283 PolarHBondContact O-N 3.25Å; W279-S283 PolarHBondContact O-OG 3.09Å; W279-L290 PolarHBondContact NE1-O 3.29Å; W279-F295 VanDerWaalsContact CA-CE1 3.48Å; W279-F295 HydrophobicContact CB-CB 4.23Å; W279-F295 HydrophobicContact CB-CD1 3.61Å; W279-F295 HydrophobicContact CB-CE1 4.07Å; W279-F295 HydrophobicContact CB-CG 3.9Å; W279-F295 AromaticContact CD1-CD2 3.91Å; W279-F295 AromaticContact CD1-CG 3.99Å; W279-F295 HydrophobicContact CG-CD1 4.48Å; W279-F295 HydrophobicContact CG-CG 4.35Å
280	L	93.4	Very high	88.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-57.7	177.8	-74.6	174.2	0	0	0	110.4	F210 I215 I228 L231 I232 V252 S277 D278 K282 S283 V284	F210-L280 HydrophobicContact CE1-CD2 4.14Å; F210-L280 HydrophobicContact CE2-CD2 3.91Å; F210-L280 HydrophobicContact CZ-CB 4.43Å; F210-L280 HydrophobicContact CZ-CD2 3.61Å; I215-L280 HydrophobicContact CD1-CD2 4.12Å; I215-L280 HydrophobicContact CG2-CD2 4.47Å; I228-L280 HydrophobicContact CG1-CD1 4.49Å; I228-L280 HydrophobicContact CG2-CD1 3.52Å; L231-L280 HydrophobicContact CD2-CB 4.39Å; I232-L280 HydrophobicContact CD1-CD1 4.21Å; I232-L280 HydrophobicContact CD1-CD2 4.14Å; I232-L280 HydrophobicContact CG1-CD1 4.45Å; I232-L280 HydrophobicContact CG1-CD2 3.79Å; V252-L280 HydrophobicContact CG1-CD1 4.08Å; V252-L280 HydrophobicContact CG2-CD1 3.96Å; V252-L280 HydrophobicContact CG2-CD2 4.47Å; V252-L280 HydrophobicContact CG2-CG 4.1Å; S277-L280 WeakPolarHBondContact O-CB 3.39Å; S277-L280 PolarHBondContact O-N 2.83Å; D278-L280 VanDerWaalsContact C-N 3.33Å; D278-L280 PolarHBondContact O-N 3.22Å; L280-K282 VanDerWaalsContact C-N 3.35Å; L280-K282 PolarHBondContact O-N 3.14Å; L280-S283 PolarHBondContact O-N 2.8Å; L280-V284 WeakPolarHBondContact O-CG2 3.48Å; L280-V284 PolarHBondContact O-N 2.92Å
281	Y	91.6	Very high	90.1	Very high	85 Å²	85	40.4 Å²	40.4	33%	0.333	20%	0.2	S	C	.	.	H	α-helix	trans	-62.4	-41.7	-174.5	-55.9	-66.5	0	0	0	111.9	E224 I228 L231 S277 V284 N285	E224-Y281 PolarHBondContact OE1-OH 3.39Å; I228-Y281 WeakPolarHBondContact CD1-OH 3.15Å; I228-Y281 WeakPolarHBondContact CG1-OH 3.34Å; L231-Y281 HydrophobicContact CD2-CD1 3.68Å; L231-Y281 HydrophobicContact CD2-CE1 3.66Å; S277-Y281 WeakPolarHBondContact O-CD2 3.43Å; Y281-V284 PolarHBondContact O-N 2.86Å; Y281-N285 VanDerWaalsContact O-CB 3.3Å; Y281-N285 WeakPolarHBondContact O-CB 3.39Å; Y281-N285 PolarHBondContact O-N 2.9Å
282	K	90.6	Very high	90.7	Very high	48 Å²	48	33.9 Å²	33.9	21%	0.209	17%	0.172	C	C	.	.	H	α-helix	trans	-69.8	-36	178.3	-67.2	-174.4	-176.2	-175.7	0	112.5	D278 L280 N285 K286 L290 F295 S366	D278-K282 VanDerWaalsContact O-CB 3.3Å; D278-K282 WeakPolarHBondContact O-CB 3.41Å; D278-K282 VanDerWaalsContact O-CG 3.31Å; D278-K282 WeakPolarHBondContact O-CG 3.44Å; D278-K282 PolarHBondContact O-N 3.21Å; L280-K282 VanDerWaalsContact C-N 3.35Å; L280-K282 PolarHBondContact O-N 3.14Å; K282-N285 PolarHBondContact O-N 2.87Å; K282-K286 WeakPolarHBondContact O-CB 3.36Å; K282-K286 PolarHBondContact O-N 3.35Å; K282-L290 HydrophobicContact CB-CD1 3.59Å; K282-F295 HydrophobicContact CB-CE1 4.44Å; K282-F295 HydrophobicContact CB-CZ 4.04Å; K282-F295 HydrophobicContact CD-CE1 3.92Å; K282-F295 HydrophobicContact CD-CZ 3.81Å; K282-F295 HydrophobicContact CG-CZ 4.48Å; K282-S366 WeakPolarHBondContact CE-O 3.42Å; K282-S366 PolarHBondContact NZ-O 3Å; K282-S366 PolarHBondContact NZ-OG 3.27Å
283	S	92.2	Very high	90.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.7	-41.5	174.6	-62.4	0	0	0	0	112.2	W279 L280 G287 C288 L290	W279-S283 WeakPolarHBondContact O-CB 3.29Å; W279-S283 PolarHBondContact O-N 3.25Å; W279-S283 PolarHBondContact O-OG 3.09Å; L280-S283 PolarHBondContact O-N 2.8Å; S283-G287 PolarHBondContact O-N 3.04Å; S283-C288 CarbonylContact C-O 3.47Å; S283-C288 VanDerWaalsContact CA-O 3.28Å; S283-C288 WeakPolarHBondContact CA-O 3.37Å; S283-C288 VanDerWaalsContact CB-O 3.3Å; S283-C288 WeakPolarHBondContact CB-O 3.36Å; S283-C288 PolarHBondContact O-N 3.44Å; S283-L290 WeakPolarHBondContact OG-CB 3.41Å; S283-L290 PolarHBondContact OG-N 3.27Å; S283-L290 VanDerWaalsContact OG-N 3.15Å
284	V	92.9	Very high	90.3	Very high	36 Å²	36	40 Å²	40	22%	0.218	20%	0.199	C	C	.	.	H	α-helix	trans	-65.1	-45.7	173.7	176.2	0	0	0	0	111.2	F210 L231 N235 L280 Y281 K286 G287	F210-V284 HydrophobicContact CE2-CG2 3.47Å; F210-V284 VanDerWaalsContact CE2-CG2 3.47Å; F210-V284 HydrophobicContact CZ-CG2 3.67Å; L231-V284 HydrophobicContact CD1-CB 4.31Å; L231-V284 HydrophobicContact CD1-CG1 4Å; L231-V284 HydrophobicContact CD1-CG2 3.93Å; L231-V284 HydrophobicContact CD2-CG2 4.4Å; L231-V284 HydrophobicContact CG-CG2 4.01Å; N235-V284 HydrophobicContact CB-CG2 4.24Å; N235-V284 WeakPolarHBondContact ND2-CG2 3.4Å; L280-V284 WeakPolarHBondContact O-CG2 3.48Å; L280-V284 PolarHBondContact O-N 2.92Å; Y281-V284 PolarHBondContact O-N 2.86Å; V284-K286 VanDerWaalsContact C-N 3.32Å; V284-K286 PolarHBondContact O-N 3.4Å; V284-G287 WeakPolarHBondContact O-CA 3.22Å; V284-G287 PolarHBondContact O-N 2.76Å
285	N	92.2	Very high	90.2	Very high	151 Å²	151	39.5 Å²	39.5	81%	0.807	20%	0.196	S	C	*	.	H	α-helix	trans	-63.3	-35.7	-178.9	-167.6	62.3	0	0	0	112.9	Y281 K282 G287	Y281-N285 VanDerWaalsContact O-CB 3.3Å; Y281-N285 WeakPolarHBondContact O-CB 3.39Å; Y281-N285 PolarHBondContact O-N 2.9Å; K282-N285 PolarHBondContact O-N 2.87Å; N285-G287 VanDerWaalsContact C-N 3.33Å
286	K	88.7	Confident	89.8	Confident	94 Å²	94	41.2 Å²	41.2	41%	0.409	21%	0.208	S	C	.	.	H	α-helix	trans	-77.9	-18.7	171.5	-162.3	176	175.4	-179.5	0	112.8	K282 V284 C288 L290	K282-K286 WeakPolarHBondContact O-CB 3.36Å; K282-K286 PolarHBondContact O-N 3.35Å; V284-K286 VanDerWaalsContact C-N 3.32Å; V284-K286 PolarHBondContact O-N 3.4Å; K286-C288 VanDerWaalsContact CD-SG 3.57Å; K286-L290 HydrophobicContact CD-CD2 3.72Å
287	G	90.1	Very high	88.9	Confident	17 Å²	17	40.7 Å²	40.7	18%	0.175	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	31.7	-176.3	0	0	0	0	0	113.8	K206 S283 V284 N285	K206-G287 WeakPolarHBondContact CE-O 3.35Å; S283-G287 PolarHBondContact O-N 3.04Å; V284-G287 WeakPolarHBondContact O-CA 3.22Å; V284-G287 PolarHBondContact O-N 2.76Å; N285-G287 VanDerWaalsContact C-N 3.33Å
288	C	93.2	Very high	87.2	Confident	13 Å²	13	44 Å²	44	9%	0.088	24%	0.236	C	C	.	.	S	Bend	trans	-158.7	155.8	177.4	65.5	0	0	0	0	111.4	Y166 V170 S283 K286 L290	Y166-C288 WeakPolarHBondContact OH-CA 3.28Å; Y166-C288 WeakPolarHBondContact OH-CB 3.19Å; V170-C288 VanDerWaalsContact CG1-SG 3.56Å; V170-C288 HydrophobicContact CG2-CB 3.88Å; S283-C288 CarbonylContact C-O 3.47Å; S283-C288 VanDerWaalsContact CA-O 3.28Å; S283-C288 WeakPolarHBondContact CA-O 3.37Å; S283-C288 VanDerWaalsContact CB-O 3.3Å; S283-C288 WeakPolarHBondContact CB-O 3.36Å; S283-C288 PolarHBondContact O-N 3.44Å; K286-C288 VanDerWaalsContact CD-SG 3.57Å; C288-L290 PolarHBondContact O-N 3.25Å
289	C	92	Very high	85	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-66.2	119.2	174.5	-165.7	0	0	0	0	111.3	V161 Y166 H167 A209	V161-C289 HydrophobicContact CB-CB 3.67Å; V161-C289 HydrophobicContact CG1-CB 4.31Å; V161-C289 HydrophobicContact CG2-CB 3.6Å; Y166-C289 HydrophobicContact CE1-CB 3.67Å; Y166-C289 PolarHBondContact OH-N 2.87Å; H167-C289 PolarHBondContact CE1-O 3.08Å; H167-C289 PolarHBondContact ND1-O 3.1Å; A209-C289 WeakPolarHBondContact O-CA 3.28Å; A209-C289 VanDerWaalsContact O-CB 3.26Å; A209-C289 WeakPolarHBondContact O-CB 3.43Å; A209-C289 PolarHBondContact O-N 3.49Å
290	L	87.8	Confident	82.1	Confident	24 Å²	24	50.9 Å²	50.9	13%	0.126	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-81.1	147.2	171.3	-66.9	173.9	0	0	0	110.8	W279 K282 S283 K286 C288 E292 F295	W279-L290 PolarHBondContact NE1-O 3.29Å; K282-L290 HydrophobicContact CB-CD1 3.59Å; S283-L290 WeakPolarHBondContact OG-CB 3.41Å; S283-L290 PolarHBondContact OG-N 3.27Å; S283-L290 VanDerWaalsContact OG-N 3.15Å; K286-L290 HydrophobicContact CD-CD2 3.72Å; C288-L290 PolarHBondContact O-N 3.25Å; L290-E292 PolarHBondContact O-N 2.97Å; L290-F295 HydrophobicContact CB-CD2 4.37Å; L290-F295 HydrophobicContact CB-CE2 3.75Å; L290-F295 HydrophobicContact CB-CZ 4.49Å; L290-F295 HydrophobicContact CD1-CE2 3.69Å; L290-F295 HydrophobicContact CD1-CZ 3.67Å; L290-F295 HydrophobicContact CG-CE2 4.33Å
291	P	86.7	Confident	79	Confident	35 Å²	35	55.1 Å²	55.1	23%	0.227	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-59.6	132.5	178.2	-21.1	31.6	0	0	0	111.8	H167 I293 Y294 F295	H167-P291 HydrophobicContact CB-CG 4.41Å; P291-I293 HydrophobicContact CB-CG2 4.38Å; P291-I293 PolarHBondContact O-N 3.02Å; P291-I293 VanDerWaalsContact O-N 3.09Å; P291-Y294 HydrophobicContact CB-CD2 4.18Å; P291-Y294 HydrophobicContact CB-CE2 3.86Å; P291-Y294 HydrophobicContact CG-CE2 3.97Å; P291-Y294 WeakPolarHBondContact O-CD2 3.27Å; P291-F295 WeakPolarHBondContact O-CD2 3.3Å
292	E	88.8	Confident	75.9	Confident	25 Å²	25	56.4 Å²	56.4	12%	0.117	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-12.8	-167.8	-54.1	80.9	-172.6	0	0	114	H250 H273 V275 L290 Y294 F295 S296	H250-E292 IonicContact CE1-OE1 3.08Å; H250-E292 WeakPolarHBondContact NE2-CG 3.3Å; H250-E292 IonicContact NE2-OE1 2.66Å; H250-E292 PolarHBondContact NE2-OE1 3.28Å; H273-E292 HydrophobicContact CB-CB 4.06Å; H273-E292 HydrophobicContact CB-CG 3.88Å; H273-E292 IonicContact CE1-OE2 3.22Å; H273-E292 WeakPolarHBondContact ND1-CB 3.37Å; H273-E292 WeakPolarHBondContact ND1-CG 3.25Å; H273-E292 IonicContact ND1-OE2 2.73Å; H273-E292 PolarHBondContact ND1-OE2 3.05Å; V275-E292 HydrophobicContact CG1-CB 3.69Å; V275-E292 HydrophobicContact CG1-CG 4.26Å; L290-E292 PolarHBondContact O-N 2.97Å; E292-Y294 VanDerWaalsContact C-N 3.33Å; E292-Y294 PolarHBondContact O-N 3.41Å; E292-F295 CarbonylContact O-C 3.54Å; E292-F295 WeakPolarHBondContact O-CB 3.4Å; E292-S296 PolarHBondContact O-N 3.09Å
293	I	85	Confident	72.9	Confident	121 Å²	121	59 Å²	59	62%	0.621	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-28	-171.9	-167.1	163	0	0	0	113.9	P291 S296	P291-I293 HydrophobicContact CB-CG2 4.38Å; P291-I293 PolarHBondContact O-N 3.02Å; P291-I293 VanDerWaalsContact O-N 3.09Å; I293-S296 WeakPolarHBondContact O-CB 3.24Å; I293-S296 PolarHBondContact O-N 3.02Å
294	Y	81.4	Confident	69.8	Low	93 Å²	93	65.6 Å²	65.6	37%	0.365	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-44.3	-159.6	-63.4	-83.8	0	0	0	120.5	P291 E292 D397	P291-Y294 HydrophobicContact CB-CD2 4.18Å; P291-Y294 HydrophobicContact CB-CE2 3.86Å; P291-Y294 HydrophobicContact CG-CE2 3.97Å; P291-Y294 WeakPolarHBondContact O-CD2 3.27Å; E292-Y294 VanDerWaalsContact C-N 3.33Å; E292-Y294 PolarHBondContact O-N 3.41Å; Y294-D397 VanDerWaalsContact CE1-OD2 3.25Å; Y294-D397 WeakPolarHBondContact CE1-OD2 3.36Å; Y294-D397 VanDerWaalsContact CZ-OD2 3.28Å; Y294-D397 PolarHBondContact OH-OD2 3.42Å
295	F	89.1	Confident	66.5	Low	16 Å²	16	76.4 Å²	76.4	7%	0.07	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	cis	76.1	-37.1	34.6	-59	-48	0	0	0	116.8	V275 R276 D278 W279 K282 L290 P291 E292	V275-F295 VanDerWaalsContact CA-O 3.3Å; V275-F295 WeakPolarHBondContact CA-O 3.47Å; R276-F295 PolarHBondContact N-O 2.95Å; R276-F295 VanDerWaalsContact N-O 3.07Å; D278-F295 HydrophobicContact CB-CE1 4.44Å; D278-F295 VanDerWaalsContact OD2-CE1 3.3Å; D278-F295 WeakPolarHBondContact OD2-CE1 3.47Å; W279-F295 VanDerWaalsContact CA-CE1 3.48Å; W279-F295 HydrophobicContact CB-CB 4.23Å; W279-F295 HydrophobicContact CB-CD1 3.61Å; W279-F295 HydrophobicContact CB-CE1 4.07Å; W279-F295 HydrophobicContact CB-CG 3.9Å; W279-F295 AromaticContact CD1-CD2 3.91Å; W279-F295 AromaticContact CD1-CG 3.99Å; W279-F295 HydrophobicContact CG-CD1 4.48Å; W279-F295 HydrophobicContact CG-CG 4.35Å; K282-F295 HydrophobicContact CB-CE1 4.44Å; K282-F295 HydrophobicContact CB-CZ 4.04Å; K282-F295 HydrophobicContact CD-CE1 3.92Å; K282-F295 HydrophobicContact CD-CZ 3.81Å; K282-F295 HydrophobicContact CG-CZ 4.48Å; L290-F295 HydrophobicContact CB-CD2 4.37Å; L290-F295 HydrophobicContact CB-CE2 3.75Å; L290-F295 HydrophobicContact CB-CZ 4.49Å; L290-F295 HydrophobicContact CD1-CE2 3.69Å; L290-F295 HydrophobicContact CD1-CZ 3.67Å; L290-F295 HydrophobicContact CG-CE2 4.33Å; P291-F295 WeakPolarHBondContact O-CD2 3.3Å; E292-F295 CarbonylContact O-C 3.54Å; E292-F295 WeakPolarHBondContact O-CB 3.4Å
296	S	83.8	Confident	63.2	Low	36 Å²	36	74.2 Å²	74.2	25%	0.252	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-82.7	140.8	172.4	-167.9	0	0	0	0	113.2	I274 E292 I293 A298 S299	I274-S296 PolarHBondContact O-OG 2.86Å; E292-S296 PolarHBondContact O-N 3.09Å; I293-S296 WeakPolarHBondContact O-CB 3.24Å; I293-S296 PolarHBondContact O-N 3.02Å; S296-A298 PolarHBondContact O-N 2.92Å; S296-A298 VanDerWaalsContact O-N 3.14Å; S296-S299 PolarHBondContact O-N 2.89Å
297	L	73.1	Confident	60.2	Low	25 Å²	25	75 Å²	75	13%	0.131	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-60.1	-20.3	174.3	-79.3	178.4	0	0	0	114.1	A253 P256 Y261 I274 R276 S299	A253-L297 HydrophobicContact CB-CD1 4.38Å; A253-L297 WeakPolarHBondContact O-CD1 3.21Å; P256-L297 HydrophobicContact CB-CD1 4.4Å; Y261-L297 HydrophobicContact CD2-CD1 3.93Å; Y261-L297 HydrophobicContact CE2-CD1 3.62Å; I274-L297 HydrophobicContact CG2-CD1 3.91Å; I274-L297 HydrophobicContact CG2-CG 4.49Å; R276-L297 HydrophobicContact CG-CD2 3.83Å; R276-L297 HydrophobicContact CG-CG 4.38Å; L297-S299 VanDerWaalsContact C-N 3.3Å; L297-S299 PolarHBondContact O-N 3.18Å
298	A	56.3	Low	57.3	Low	89 Å²	89	80.9 Å²	80.9	74%	0.736	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-76.1	-10.6	-178.9	0	0	0	0	0	114.4	S296 M300	S296-A298 PolarHBondContact O-N 2.92Å; S296-A298 VanDerWaalsContact O-N 3.14Å; A298-M300 PolarHBondContact O-N 3.22Å; A298-M300 VanDerWaalsContact O-N 3.1Å
299	S	42.2	Very low	54.2	Low	33 Å²	33	85.6 Å²	85.6	23%	0.231	50%	0.503	C	S	.	.	G	3₁₀ helix	trans	-80.3	20.6	-178.6	-156.2	0	0	0	0	113.8	S296 L297 E390 K394	S296-S299 PolarHBondContact O-N 2.89Å; L297-S299 VanDerWaalsContact C-N 3.3Å; L297-S299 PolarHBondContact O-N 3.18Å; S299-E390 PolarHBondContact OG-OE1 2.66Å; S299-K394 PolarHBondContact OG-NZ 3.15Å
300	M	34.1	Very low	51	Low	128 Å²	128	94.2 Å²	94.2	63%	0.631	55%	0.548	S	S	*	.	S	Bend	trans	-102.2	126.9	173.4	-66.6	-65.5	-79	0	0	109.7	A298 A302	A298-M300 PolarHBondContact O-N 3.22Å; A298-M300 VanDerWaalsContact O-N 3.1Å; M300-A302 PolarHBondContact O-N 3.08Å
301	P	28	Very low	47.9	Very low	89 Å²	89	96.1 Å²	96.1	58%	0.578	57%	0.573	S	S	*	*			trans	-61.7	137.1	172.4	-16.5	28.9	0	0	0	110.2	S303	P301-S303 VanDerWaalsContact C-N 3.26Å; P301-S303 PolarHBondContact O-N 2.94Å
302	A	25.6	Very low	45	Very low	111 Å²	111	102.8 Å²	102.8	92%	0.917	61%	0.605	S	S	*	*			trans	-71.4	80.3	174.9	0	0	0	0	0	110.8	M300 N304	M300-A302 PolarHBondContact O-N 3.08Å; A302-N304 PolarHBondContact O-N 2.77Å
303	S	27.8	Very low	42	Very low	103 Å²	103	105.9 Å²	105.9	72%	0.72	63%	0.629	S	S	*	*			trans	-71.7	111	174.1	-171.2	0	0	0	0	110.6	P301	P301-S303 VanDerWaalsContact C-N 3.26Å; P301-S303 PolarHBondContact O-N 2.94Å
304	N	27.2	Very low	39.1	Very low	139 Å²	139	110.3 Å²	110.3	74%	0.743	64%	0.638	S	S	*	*			trans	55.8	84.9	159.4	-63.3	-9.2	0	0	0	118.2	A302	A302-N304 PolarHBondContact O-N 2.77Å
305	R	23.3	Very low	36.5	Very low	262 Å²	262	113.9 Å²	113.9	99%	0.989	66%	0.663	S	S	*	*			trans	-78.5	98.9	132.2	-73	-175.9	178.3	-176.3	-0.4	108.4
306	S	24	Very low	33.3	Very low	106 Å²	106	119.7 Å²	119.7	74%	0.741	69%	0.694	S	S	*	*			trans	-133.7	132.3	160	-170.4	0	0	0	0	109
307	S	26	Very low	30.6	Very low	111 Å²	111	126.3 Å²	126.3	78%	0.776	72%	0.722	S	S	*	*			trans	-101.3	123.5	-171.9	-43.6	0	0	0	0	110
308	T	27.7	Very low	28.2	Very low	139 Å²	139	134 Å²	134	85%	0.853	75%	0.754	S	S	*	*			trans	-165	140.8	140.9	13.7	0	0	0	0	111.2
309	P	28	Very low	26.5	Very low	113 Å²	113	138.2 Å²	138.2	73%	0.734	76%	0.759	S	S	*	*			trans	-95.1	150.2	175.2	37	-32.4	0	0	0	111.8
310	L	25.9	Very low	25.6	Very low	181 Å²	181	140.7 Å²	140.7	95%	0.948	78%	0.776	S	S	*	*			trans	170.4	145.2	131.5	-91.1	161.2	0	0	0	110.1
311	G	22.8	Very low	25	Very low	64 Å²	64	143.7 Å²	143.7	66%	0.66	78%	0.782	S	S	*	*			trans	-90.6	-170.7	-164.5	0	0	0	0	0	117.4
312	I	25.9	Very low	24.7	Very low	175 Å²	175	147.8 Å²	147.8	90%	0.897	79%	0.791	S	S	*	*			trans	77.6	118.2	158.7	-57.9	167.7	0	0	0	113.9
313	S	25.3	Very low	24.6	Very low	89 Å²	89	150.5 Å²	150.5	62%	0.622	78%	0.784	S	S	*	*			cis	174.4	158.6	12.1	176.7	0	0	0	0	110.3
314	R	24.8	Very low	24.5	Very low	215 Å²	215	156.2 Å²	156.2	81%	0.811	79%	0.791	S	S	*	*			trans	63.6	111.5	157.4	-77.1	162.5	-177	173	0.4	120.4
315	L	25.7	Very low	24.5	Very low	168 Å²	168	155.6 Å²	155.6	88%	0.88	80%	0.795	S	S	*	*				-150.6	146.7	85.8	-137.3	81	0	0	0	111.1
316	D	23	Very low	24.5	Very low	137 Å²	137	150.5 Å²	150.5	73%	0.733	78%	0.782	S	S	*	*			trans	-75.3	149.8	175.3	-55.1	-77.8	0	0	0	112.1
317	Q	26.7	Very low	24.3	Very low	176 Å²	176	152.5 Å²	152.5	82%	0.822	78%	0.78	S	S	*	*				178.4	143.9	108	-97.7	178	12.2	0	0	114.8
318	F	22.7	Very low	24.3	Very low	187 Å²	187	151.6 Å²	151.6	82%	0.82	77%	0.773	S	S	*	*			trans	68.7	95.7	159.9	-89.2	-92.5	0	0	0	120.8
319	E	21	Very low	24.1	Very low	176 Å²	176	152.5 Å²	152.5	82%	0.822	77%	0.767	S	S	*	*			trans	-61.8	159.7	145.7	-61.9	-179.9	119.5	0	0	112.5
320	S	23.1	Very low	24	Very low	86 Å²	86	154.4 Å²	154.4	60%	0.601	77%	0.771	S	S	*	*				118.1	126.4	124.6	81.4	0	0	0	0	119.3
321	Y	21.8	Very low	24	Very low	191 Å²	191	150.1 Å²	150.1	75%	0.749	76%	0.756	S	S	*	*			trans	63.6	165	160.3	-51.3	-74.8	0	0	0	118.8
322	F	21.8	Very low	24.3	Very low	174 Å²	174	155 Å²	155	76%	0.763	77%	0.767	S	S	*	*			cis	-137.4	155.9	6.2	-96.6	-71.7	0	0	0	114
323	H	23	Very low	24.5	Very low	168 Å²	168	150.4 Å²	150.4	78%	0.778	76%	0.763	S	S	*	*			trans	3.3	146.9	138	-104	-33	0	0	0	121.9
324	Y	25.5	Very low	24.6	Very low	223 Å²	223	153.9 Å²	153.9	88%	0.875	77%	0.774	S	S	*	*			trans	-58.2	153.3	158.8	-77.2	-95.5	0	0	0	114.3
325	P	27.7	Very low	25	Very low	126 Å²	126	152.2 Å²	152.2	82%	0.818	78%	0.78	S	S	*	*			trans	-128.6	167.7	150	36.2	-23	0	0	0	114.5
326	H	21.5	Very low	25.1	Very low	155 Å²	155	147.3 Å²	147.3	72%	0.718	77%	0.77	S	S	*	*			trans	-113.1	150.5	-178.4	-153.3	-108.7	0	0	0	111
327	E	21.2	Very low	25.4	Very low	149 Å²	149	146.8 Å²	146.8	70%	0.696	78%	0.778	S	S	*	*			trans	52.2	106.3	154.1	-85.8	171.6	172.9	0	0	123.7
328	S	25.1	Very low	25.6	Very low	91 Å²	91	144 Å²	144	64%	0.636	78%	0.777	S	S	*	*				84	140.8	109.6	84	0	0	0	0	123.6
329	H	23.8	Very low	25.8	Very low	158 Å²	158	141.3 Å²	141.3	73%	0.731	78%	0.776	S	S	*	*			trans	80.8	109.5	151.7	-69.8	-59.9	0	0	0	123.2
330	L	25.4	Very low	26.3	Very low	154 Å²	154	138.7 Å²	138.7	81%	0.806	78%	0.778	S	S	*	*			trans	70.6	144.2	140.1	-53.7	169	0	0	0	118.1
331	S	26.7	Very low	26.5	Very low	90 Å²	90	143.5 Å²	143.5	63%	0.629	79%	0.79	S	S	*	*			cis	-169.5	155.7	-17	-110.5	0	0	0	0	110.9
332	N	27.6	Very low	26.6	Very low	166 Å²	166	138.4 Å²	138.4	89%	0.888	80%	0.796	S	S	*	*			trans	70.3	136.6	156.5	-60.9	4.4	0	0	0	120.9
333	G	31.3	Very low	26.8	Very low	79 Å²	79	134 Å²	134	81%	0.814	80%	0.799	S	S	*	*			trans	158.8	92.3	167	0	0	0	0	0	113.1
334	D	27.8	Very low	26.9	Very low	162 Å²	162	134.1 Å²	134.1	87%	0.866	81%	0.806	S	S	*	*			trans	-66.2	144.2	179.6	-79.2	-57	0	0	0	114.5
335	L	32.2	Very low	27.1	Very low	180 Å²	180	129.5 Å²	129.5	94%	0.942	80%	0.8	S	S	*	*				-164.1	141.6	121.4	-129	72.2	0	0	0	110.5
336	G	28.7	Very low	27	Very low	65 Å²	65	129.1 Å²	129.1	67%	0.67	80%	0.801	S	S	*	*			trans	-120.4	-144.4	-164.8	0	0	0	0	0	117
337	S	29.6	Very low	27.2	Very low	126 Å²	126	129.8 Å²	129.8	88%	0.881	81%	0.809	S	S	*	*			trans	80.5	140.8	-170	84.7	0	0	0	0	114.5
338	S	31	Very low	27.4	Very low	117 Å²	117	127.3 Å²	127.3	82%	0.818	81%	0.814	S	S	*	*			cis	-152	165.9	-0.3	46.9	0	0	0	0	112.2
339	V	25.6	Very low	27.5	Very low	132 Å²	132	131 Å²	131	80%	0.8	82%	0.821	S	S	*	*			trans	-92.2	141.9	178.9	171.3	0	0	0	0	110.9
340	S	32.7	Very low	27.7	Very low	121 Å²	121	128.6 Å²	128.6	85%	0.846	82%	0.822	S	S	*	*			trans	-147.4	141	154	48.9	0	0	0	0	112
341	Q	26	Very low	27.9	Very low	186 Å²	186	125.7 Å²	125.7	87%	0.869	81%	0.814	S	S	*	*			trans	-95.3	160.2	-171	-62.1	170	-28.4	0	0	112.9
342	G	24.1	Very low	28.3	Very low	84 Å²	84	126.5 Å²	126.5	87%	0.866	81%	0.811	S	S	*	*			trans	82.9	116.9	132.5	0	0	0	0	0	118.7
343	G	27.1	Very low	28.9	Very low	81 Å²	81	123.5 Å²	123.5	84%	0.835	79%	0.794	S	S	*	*			trans	-163.9	114.4	166.4	0	0	0	0	0	111.3
344	N	24.2	Very low	29.4	Very low	172 Å²	172	123.9 Å²	123.9	92%	0.92	78%	0.784	S	S	*	*			trans	-82.9	156	-179.2	-93.5	-23.6	0	0	0	113.1
345	V	29.1	Very low	30.4	Very low	125 Å²	125	118.2 Å²	118.2	76%	0.758	76%	0.76	S	S	*	*			trans	-37	135.5	178.1	-177.1	0	0	0	0	115.9	L347	V345-L347 HydrophobicContact CG1-CB 4.31Å
346	S	26.3	Very low	31.2	Very low	118 Å²	118	110 Å²	110	83%	0.825	72%	0.717	S	S	*	*			trans	-123.1	122.3	151.8	63.7	0	0	0	0	110.6	A348	S346-A348 PolarHBondContact O-N 3.48Å
347	L	25.2	Very low	32.3	Very low	170 Å²	170	107 Å²	107	89%	0.89	69%	0.686	S	S	*	*			trans	-102.6	69.4	-168	-166.2	93.9	0	0	0	111.5	V345	V345-L347 HydrophobicContact CG1-CB 4.31Å
348	A	25.3	Very low	33.4	Very low	96 Å²	96	103 Å²	103	79%	0.793	66%	0.658	S	S	*	*			trans	-156.4	84.8	175.2	0	0	0	0	0	111.7	S346	S346-A348 PolarHBondContact O-N 3.48Å
349	Q	28.6	Very low	34.3	Very low	169 Å²	169	99.3 Å²	99.3	79%	0.79	63%	0.632	S	S	*	*			trans	-140.6	115.7	169.6	-140.1	162.1	14.4	0	0	112.2
350	S	27	Very low	35.2	Very low	107 Å²	107	96.8 Å²	96.8	75%	0.748	62%	0.62	S	S	*	*			trans	-53.5	157.4	174.6	33.5	0	0	0	0	112.6	N352	S350-N352 PolarHBondContact O-N 3.09Å
351	C	29.2	Very low	35.9	Very low	94 Å²	94	95.4 Å²	95.4	64%	0.635	60%	0.6	S	S	*	*			trans	-57	84.9	-165.6	-45.7	0	0	0	0	114.3	L353	C351-L353 PolarHBondContact O-N 2.99Å
352	N	35.8	Very low	36.8	Very low	106 Å²	106	87 Å²	87	57%	0.567	56%	0.561	S	S	*	*			trans	-90.7	96.7	174	-133.9	-13	0	0	0	109.4	S350 S354 A355	S350-N352 PolarHBondContact O-N 3.09Å; N352-S354 PolarHBondContact O-N 3.34Å; N352-S354 PolarHBondContact OD1-OG 3.18Å; N352-A355 PolarHBondContact O-N 3.01Å
353	L	40.5	Very low	37.7	Very low	103 Å²	103	86.7 Å²	86.7	54%	0.539	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-62.6	-8.8	-177.4	-143.3	75	0	0	0	113.4	C351 A355 L388	C351-L353 PolarHBondContact O-N 2.99Å; L353-A355 VanDerWaalsContact C-N 3.3Å; L353-A355 PolarHBondContact O-N 3.44Å; L353-L388 HydrophobicContact CD1-CD1 4.15Å; L353-L388 HydrophobicContact CD1-CD2 4.09Å; L353-L388 HydrophobicContact CD2-CD1 3.79Å; L353-L388 HydrophobicContact CG-CD1 4Å
354	S	42.4	Very low	38.4	Very low	87 Å²	87	89.3 Å²	89.3	61%	0.608	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-70	-13	176.2	50.6	0	0	0	0	115.1	N352 L356	N352-S354 PolarHBondContact O-N 3.34Å; N352-S354 PolarHBondContact OD1-OG 3.18Å; S354-L356 VanDerWaalsContact C-N 3.32Å
355	A	47	Very low	39.2	Very low	44 Å²	44	83.6 Å²	83.6	36%	0.364	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-74.8	-20.7	179.1	0	0	0	0	0	114.1	N352 L353 K449	N352-A355 PolarHBondContact O-N 3.01Å; L353-A355 VanDerWaalsContact C-N 3.3Å; L353-A355 PolarHBondContact O-N 3.44Å; A355-K449 PolarHBondContact O-NZ 3.37Å
356	L	51	Low	39.9	Very low	6 Å²	6	78.7 Å²	78.7	3%	0.031	47%	0.465	C	S	.	.	S	Bend	trans	-75.9	124	171.5	-94.7	148.5	0	0	0	109.1	S354 S358 L388 L392 I395 F441 V445	S354-L356 VanDerWaalsContact C-N 3.32Å; L356-S358 PolarHBondContact O-N 2.78Å; L356-L388 HydrophobicContact CD1-CD1 4.35Å; L356-L388 HydrophobicContact CD1-CD2 3.56Å; L356-L388 HydrophobicContact CD1-CG 3.8Å; L356-L392 HydrophobicContact CD2-CD2 3.96Å; L356-I395 HydrophobicContact CD2-CD1 4.11Å; L356-F441 HydrophobicContact CD1-CD2 3.91Å; L356-F441 HydrophobicContact CD1-CE2 3.78Å; L356-F441 HydrophobicContact CD1-CZ 4.48Å; L356-F441 HydrophobicContact CD2-CD2 4.38Å; L356-F441 HydrophobicContact CG-CD2 3.92Å; L356-F441 HydrophobicContact CG-CE2 3.78Å; L356-V445 HydrophobicContact CD2-CG2 3.79Å; L356-V445 HydrophobicContact CG-CG2 4.27Å
357	P	50.9	Low	40.3	Very low	3 Å²	3	76.9 Å²	76.9	2%	0.019	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-55.8	132.6	177.9	24.6	-34.4	0	0	0	110	E361 L362 M365 I395	P357-E361 HydrophobicContact CB-CB 3.84Å; P357-L362 HydrophobicContact CB-CD2 4.19Å; P357-L362 HydrophobicContact CB-CG 4Å; P357-L362 HydrophobicContact CG-CD2 3.61Å; P357-L362 HydrophobicContact CG-CG 3.83Å; P357-M365 HydrophobicContact CB-SD 4.19Å; P357-I395 HydrophobicContact CG-CD1 4.2Å
358	S	52.3	Low	40.9	Very low	41 Å²	41	73.9 Å²	73.9	29%	0.287	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-59.1	163.2	176.1	63.7	0	0	0	0	111.1	L356 S360 E361 L362	L356-S358 PolarHBondContact O-N 2.78Å; S358-S360 PolarHBondContact O-N 3.37Å; S358-E361 WeakPolarHBondContact CB-OE2 3.49Å; S358-E361 PolarHBondContact N-OE2 3.16Å; S358-E361 PolarHBondContact O-N 2.84Å; S358-E361 VanDerWaalsContact O-N 3.14Å; S358-E361 WeakPolarHBondContact OG-CG 3.29Å; S358-E361 PolarHBondContact OG-N 3.01Å; S358-E361 VanDerWaalsContact OG-N 3.14Å; S358-E361 PolarHBondContact OG-OE2 3.29Å; S358-L362 WeakPolarHBondContact O-CB 3.43Å; S358-L362 PolarHBondContact O-N 3.25Å
359	S	51	Low	41.5	Very low	40 Å²	40	74.7 Å²	74.7	28%	0.28	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.5	174.6	-58.5	0	0	0	0	113	Y363	S359-Y363 PolarHBondContact O-N 3.47Å
360	S	44.4	Very low	42.4	Very low	79 Å²	79	70.7 Å²	70.7	55%	0.552	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-46.3	174.4	-54.1	0	0	0	0	112.3	S358 L362 Y363 E364	S358-S360 PolarHBondContact O-N 3.37Å; S360-L362 PolarHBondContact O-N 2.92Å; S360-Y363 WeakPolarHBondContact O-CA 3.47Å; S360-Y363 WeakPolarHBondContact O-CB 3.04Å; S360-Y363 PolarHBondContact O-N 2.95Å; S360-E364 PolarHBondContact O-N 3.44Å
361	E	46.8	Very low	43.7	Very low	92 Å²	92	66.1 Å²	66.1	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-64	-41.7	176.3	-71.4	159.9	112.2	0	0	111.3	P357 S358 Y363 E364 M365	P357-E361 HydrophobicContact CB-CB 3.84Å; S358-E361 WeakPolarHBondContact CB-OE2 3.49Å; S358-E361 PolarHBondContact N-OE2 3.16Å; S358-E361 PolarHBondContact O-N 2.84Å; S358-E361 VanDerWaalsContact O-N 3.14Å; S358-E361 WeakPolarHBondContact OG-CG 3.29Å; S358-E361 PolarHBondContact OG-N 3.01Å; S358-E361 VanDerWaalsContact OG-N 3.14Å; S358-E361 PolarHBondContact OG-OE2 3.29Å; E361-Y363 PolarHBondContact O-N 3.45Å; E361-E364 PolarHBondContact O-N 3.33Å; E361-M365 HydrophobicContact CB-SD 4.26Å; E361-M365 WeakPolarHBondContact O-CB 3.32Å; E361-M365 WeakPolarHBondContact O-CG 3.45Å; E361-M365 PolarHBondContact O-N 2.68Å; E361-M365 VanDerWaalsContact O-SD 3.42Å
362	L	45.6	Very low	45.5	Very low	9 Å²	9	67.6 Å²	67.6	5%	0.047	39%	0.386	C	S	.	.	H	α-helix	trans	-57.8	-30.5	170.7	-76.2	173.6	0	0	0	112.1	P357 S358 S360 S366 I395 F398 F448	P357-L362 HydrophobicContact CB-CD2 4.19Å; P357-L362 HydrophobicContact CB-CG 4Å; P357-L362 HydrophobicContact CG-CD2 3.61Å; P357-L362 HydrophobicContact CG-CG 3.83Å; S358-L362 WeakPolarHBondContact O-CB 3.43Å; S358-L362 PolarHBondContact O-N 3.25Å; S360-L362 PolarHBondContact O-N 2.92Å; L362-S366 WeakPolarHBondContact O-CB 3.16Å; L362-S366 PolarHBondContact O-N 3.28Å; L362-S366 PolarHBondContact O-OG 3.16Å; L362-I395 HydrophobicContact CD2-CD1 4.21Å; L362-I395 HydrophobicContact CD2-CG1 3.74Å; L362-F398 HydrophobicContact CD2-CD2 4.49Å; L362-F398 HydrophobicContact CD2-CE2 4.44Å; L362-F448 HydrophobicContact CD2-CE1 4.07Å
363	Y	43.3	Very low	47.7	Very low	78 Å²	78	63.2 Å²	63.2	31%	0.306	36%	0.363	S	S	.	.	H	α-helix	trans	-69	-54.9	175.3	-152.7	-53.3	0	0	0	110.3	R276 D278 S359 S360 E361 M365 S366 S367	R276-Y363 PolarHBondContact NE-OH 3.12Å; R276-Y363 VanDerWaalsContact NH1-CE2 3.31Å; R276-Y363 VanDerWaalsContact NH2-CE2 3.33Å; D278-Y363 HydrophobicContact CB-CE1 4.5Å; D278-Y363 VanDerWaalsContact CG-OH 3.28Å; D278-Y363 PolarHBondContact OD1-OH 3.45Å; D278-Y363 PolarHBondContact OD2-OH 2.92Å; S359-Y363 PolarHBondContact O-N 3.47Å; S360-Y363 WeakPolarHBondContact O-CA 3.47Å; S360-Y363 WeakPolarHBondContact O-CB 3.04Å; S360-Y363 PolarHBondContact O-N 2.95Å; E361-Y363 PolarHBondContact O-N 3.45Å; Y363-M365 VanDerWaalsContact C-N 3.34Å; Y363-M365 PolarHBondContact O-N 2.76Å; Y363-S366 PolarHBondContact O-N 3.37Å; Y363-S366 VanDerWaalsContact O-N 3.11Å; Y363-S366 PolarHBondContact O-OG 2.94Å; Y363-S367 PolarHBondContact O-N 3.18Å; Y363-S367 VanDerWaalsContact O-N 3.17Å; Y363-S367 PolarHBondContact O-OG 3.19Å
364	E	41.4	Very low	49.8	Very low	137 Å²	137	58.3 Å²	58.3	64%	0.64	34%	0.338	S	S	*	.	H	α-helix	trans	-60.4	-40.7	-179.4	-72	-174.9	137.3	0	0	112.6	S360 E361 S367 T368	S360-E364 PolarHBondContact O-N 3.44Å; E361-E364 PolarHBondContact O-N 3.33Å; E364-S367 VanDerWaalsContact C-OG 3.3Å; E364-S367 VanDerWaalsContact CA-OG 3.32Å; E364-S367 WeakPolarHBondContact CA-OG 3.25Å; E364-S367 PolarHBondContact O-N 3Å; E364-S367 PolarHBondContact O-OG 3.44Å; E364-T368 PolarHBondContact O-N 2.97Å; E364-T368 PolarHBondContact O-OG1 3.41Å
365	M	41.1	Very low	51.4	Low	52 Å²	52	57.8 Å²	57.8	26%	0.256	33%	0.333	S	S	.	.	H	α-helix	trans	-67.1	-37.6	175.8	-63.2	161.7	86.9	0	0	111	P357 E361 Y363 S367 T368 L369 F448 K449	P357-M365 HydrophobicContact CB-SD 4.19Å; E361-M365 HydrophobicContact CB-SD 4.26Å; E361-M365 WeakPolarHBondContact O-CB 3.32Å; E361-M365 WeakPolarHBondContact O-CG 3.45Å; E361-M365 PolarHBondContact O-N 2.68Å; E361-M365 VanDerWaalsContact O-SD 3.42Å; Y363-M365 VanDerWaalsContact C-N 3.34Å; Y363-M365 PolarHBondContact O-N 2.76Å; M365-S367 PolarHBondContact O-N 3.15Å; M365-T368 PolarHBondContact O-N 2.89Å; M365-T368 PolarHBondContact O-OG1 3.21Å; M365-T368 VanDerWaalsContact O-OG1 3.14Å; M365-L369 PolarHBondContact O-N 3.47Å; M365-F448 HydrophobicContact CB-CE1 4.14Å; M365-F448 HydrophobicContact CB-CZ 3.97Å; M365-F448 HydrophobicContact CE-CD1 4.04Å; M365-F448 HydrophobicContact CE-CE1 3.59Å; M365-F448 HydrophobicContact CE-CZ 4.44Å; M365-F448 HydrophobicContact SD-CE1 4.18Å; M365-K449 HydrophobicContact CE-CG 3.87Å
366	S	42.6	Very low	53.1	Low	22 Å²	22	60.6 Å²	60.6	15%	0.154	34%	0.341	C	S	.	.	H	α-helix	trans	-71.4	-10.4	174.7	80.4	0	0	0	0	115.2	K282 L362 Y363	K282-S366 WeakPolarHBondContact CE-O 3.42Å; K282-S366 PolarHBondContact NZ-O 3Å; K282-S366 PolarHBondContact NZ-OG 3.27Å; L362-S366 WeakPolarHBondContact O-CB 3.16Å; L362-S366 PolarHBondContact O-N 3.28Å; L362-S366 PolarHBondContact O-OG 3.16Å; Y363-S366 PolarHBondContact O-N 3.37Å; Y363-S366 VanDerWaalsContact O-N 3.11Å; Y363-S366 PolarHBondContact O-OG 2.94Å
367	S	34.6	Very low	54.9	Low	79 Å²	79	60.4 Å²	60.4	55%	0.552	34%	0.34	S	S	*	.	H	α-helix	trans	-91.8	-14.9	172.4	27	0	0	0	0	113.4	Y363 E364 M365	Y363-S367 PolarHBondContact O-N 3.18Å; Y363-S367 VanDerWaalsContact O-N 3.17Å; Y363-S367 PolarHBondContact O-OG 3.19Å; E364-S367 VanDerWaalsContact C-OG 3.3Å; E364-S367 VanDerWaalsContact CA-OG 3.32Å; E364-S367 WeakPolarHBondContact CA-OG 3.25Å; E364-S367 PolarHBondContact O-N 3Å; E364-S367 PolarHBondContact O-OG 3.44Å; M365-S367 PolarHBondContact O-N 3.15Å
368	T	38.5	Very low	56.7	Low	107 Å²	107	61.2 Å²	61.2	66%	0.656	34%	0.344	S	S	*	.	H	α-helix	trans	-106.3	-47.5	-174.6	44	0	0	0	0	112.9	E364 M365	E364-T368 PolarHBondContact O-N 2.97Å; E364-T368 PolarHBondContact O-OG1 3.41Å; M365-T368 PolarHBondContact O-N 2.89Å; M365-T368 PolarHBondContact O-OG1 3.21Å; M365-T368 VanDerWaalsContact O-OG1 3.14Å
369	L	38.3	Very low	58.6	Low	113 Å²	113	59.2 Å²	59.2	59%	0.592	33%	0.33	S	S	*	.			trans	-147.6	118.6	-178.3	-70.6	171.4	0	0	0	112.6	M365 S371	M365-L369 PolarHBondContact O-N 3.47Å; L369-S371 PolarHBondContact O-N 2.97Å
370	S	47.7	Very low	60.6	Low	86 Å²	86	58.5 Å²	58.5	60%	0.601	32%	0.321	S	S	*	.			trans	-87.6	93.7	160	63	0	0	0	0	109	F372	S370-F372 PolarHBondContact O-N 3.05Å
371	S	53.6	Low	62.8	Low	11 Å²	11	55 Å²	55	8%	0.077	30%	0.296	C	S	.	.			trans	-77.5	105	179.4	60.3	0	0	0	0	111	L369 C373 F398 C399	L369-S371 PolarHBondContact O-N 2.97Å; S371-C373 PolarHBondContact O-N 3.28Å; S371-C373 PolarHBondContact O-SG 3.23Å; S371-F398 VanDerWaalsContact O-O 3.05Å; S371-C399 CarbonylContact O-C 3.55Å; S371-C399 VanDerWaalsContact O-C 3.3Å; S371-C399 WeakPolarHBondContact O-CA 3.31Å
372	F	67.9	Low	64.8	Low	124 Å²	124	53 Å²	53	54%	0.544	29%	0.285	S	S	.	.			trans	-70.8	60.4	166.4	-82.7	-92.7	0	0	0	110.9	S370 C399	S370-F372 PolarHBondContact O-N 3.05Å; F372-C399 CarbonylContact C-O 3.51Å
373	C	80.3	Confident	66.7	Low	14 Å²	14	53.8 Å²	53.8	10%	0.095	30%	0.295	C	S	.	.			trans	-90.2	-15.5	-173.9	59.6	0	0	0	0	113.6	S371 P375 C399 S451 R453	S371-C373 PolarHBondContact O-N 3.28Å; S371-C373 PolarHBondContact O-SG 3.23Å; C373-P375 VanDerWaalsContact C-CD 3.42Å; C373-C399 PolarHBondContact N-O 3.49Å; C373-C399 VanDerWaalsContact N-O 3.15Å; C373-S451 VanDerWaalsContact CB-C 3.49Å; C373-S451 WeakPolarHBondContact CB-O 3.41Å; C373-R453 WeakPolarHBondContact O-CB 3.3Å
374	L	85.4	Confident	68.8	Low	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.282	C	S	.	.			trans	-129.4	42.2	-180	-59.1	177.3	0	0	0	113.2	D376 C377 I379 C399 A401 W443 L444 R453	L374-D376 PolarHBondContact O-N 2.72Å; L374-D376 VanDerWaalsContact O-N 3.15Å; L374-C377 HydrophobicContact CB-CB 3.97Å; L374-C377 WeakPolarHBondContact O-CB 3.28Å; L374-C377 PolarHBondContact O-N 3.15Å; L374-C377 VanDerWaalsContact O-N 3.09Å; L374-I379 HydrophobicContact CD1-CD1 4.23Å; L374-C399 HydrophobicContact CB-CB 3.95Å; L374-C399 HydrophobicContact CD1-CB 3.76Å; L374-C399 HydrophobicContact CG-CB 3.98Å; L374-C399 PolarHBondContact N-O 2.6Å; L374-A401 HydrophobicContact CB-CB 3.9Å; L374-A401 WeakPolarHBondContact O-CA 3.16Å; L374-A401 WeakPolarHBondContact O-CB 3.46Å; L374-W443 HydrophobicContact CD1-CH2 3.71Å; L374-W443 HydrophobicContact CD1-CZ2 4.31Å; L374-W443 HydrophobicContact CD1-CZ3 4.02Å; L374-W443 HydrophobicContact CD2-CH2 3.72Å; L374-W443 HydrophobicContact CD2-CZ2 3.67Å; L374-W443 HydrophobicContact CG-CH2 4.36Å; L374-L444 HydrophobicContact CD1-CD1 3.91Å; L374-R453 HydrophobicContact CD2-CB 3.73Å; L374-R453 HydrophobicContact CD2-CG 3.6Å
375	P	75.1	Confident	70.7	Confident	77 Å²	77	47.9 Å²	47.9	50%	0.5	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.9	-168.8	31.5	-37.7	0	0	0	114.5	C373 G400	C373-P375 VanDerWaalsContact C-CD 3.42Å; P375-G400 WeakPolarHBondContact CA-O 3.3Å
376	D	84.7	Confident	72.1	Confident	103 Å²	103	49 Å²	49	55%	0.551	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-1.1	-179.9	63.9	-43.2	0	0	0	113	L374 R453	L374-D376 PolarHBondContact O-N 2.72Å; L374-D376 VanDerWaalsContact O-N 3.15Å; D376-R453 IonicContact OD1-NH1 2.7Å; D376-R453 PolarHBondContact OD1-NH1 3.15Å; D376-R453 IonicContact OD2-NH1 3.22Å; D376-R453 PolarHBondContact OD2-NH1 3.2Å
377	C	87.3	Confident	73.7	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.007	31%	0.307	C	S	.	.			trans	-92.2	121.3	-174.8	-63.9	0	0	0	0	111.9	L374 I379 A401 I402 T412 H413	L374-C377 HydrophobicContact CB-CB 3.97Å; L374-C377 WeakPolarHBondContact O-CB 3.28Å; L374-C377 PolarHBondContact O-N 3.15Å; L374-C377 VanDerWaalsContact O-N 3.09Å; C377-I379 HydrophobicContact CB-CD1 4.12Å; C377-I379 HydrophobicContact CB-CG1 3.98Å; C377-A401 HydrophobicContact CB-CB 4.14Å; C377-A401 WeakPolarHBondContact O-CA 3.5Å; C377-A401 WeakPolarHBondContact O-CB 3.45Å; C377-I402 PolarHBondContact O-N 3.29Å; C377-T412 WeakPolarHBondContact CA-OG1 3.04Å; C377-H413 VanDerWaalsContact SG-CE1 3.59Å
378	K	89	Confident	75.7	Confident	20 Å²	20	48.5 Å²	48.5	9%	0.087	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116.1	164.1	-149.1	-179.2	-177.3	172.8	0	109.5	I402 A404 S410 T412 H413	K378-I402 CarbonylContact C-O 3.51Å; K378-I402 WeakPolarHBondContact CA-O 3.3Å; K378-I402 HydrophobicContact CD-CG2 4.46Å; K378-I402 HydrophobicContact CG-CB 4.02Å; K378-I402 HydrophobicContact CG-CG2 3.81Å; K378-A404 HydrophobicContact CG-CB 4.25Å; K378-S410 VanDerWaalsContact CB-O 3.32Å; K378-S410 WeakPolarHBondContact CB-O 3.1Å; K378-S410 WeakPolarHBondContact CD-O 3.37Å; K378-S410 WeakPolarHBondContact CD-OG 3.47Å; K378-S410 PolarHBondContact NZ-OG 3.01Å; K378-T412 HydrophobicContact CB-CG2 4.4Å; K378-T412 PolarHBondContact N-OG1 3.33Å; K378-T412 PolarHBondContact O-N 3.33Å; K378-T412 PolarHBondContact O-OG1 3.07Å; K378-H413 PolarHBondContact O-N 3.29Å
379	I	91.7	Very high	77.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.7	-163.7	-54.2	176.6	0	0	0	110.5	L374 C377 V381 I396 A401 I402 A404 H413 V415 W443 L444	L374-I379 HydrophobicContact CD1-CD1 4.23Å; C377-I379 HydrophobicContact CB-CD1 4.12Å; C377-I379 HydrophobicContact CB-CG1 3.98Å; I379-V381 HydrophobicContact CG2-CG2 4.4Å; I379-I396 HydrophobicContact CB-CD1 3.96Å; I379-I396 HydrophobicContact CB-CG1 4.38Å; I379-I396 HydrophobicContact CD1-CG1 4.07Å; I379-I396 HydrophobicContact CD1-CG2 4.49Å; I379-I396 HydrophobicContact CG2-CD1 3.76Å; I379-I396 HydrophobicContact CG2-CG1 4.33Å; I379-A401 HydrophobicContact CD1-CB 3.5Å; I379-A401 HydrophobicContact CG1-CB 4.17Å; I379-I402 PolarHBondContact N-O 3.23Å; I379-A404 PolarHBondContact O-N 2.91Å; I379-H413 WeakPolarHBondContact CA-O 3.39Å; I379-H413 HydrophobicContact CG1-CB 4.17Å; I379-H413 HydrophobicContact CG2-CB 4.4Å; I379-V415 HydrophobicContact CG2-CB 4.32Å; I379-V415 HydrophobicContact CG2-CG2 3.6Å; I379-W443 HydrophobicContact CD1-CH2 4.32Å; I379-W443 HydrophobicContact CD1-CZ3 3.91Å; I379-L444 HydrophobicContact CD1-CD1 4.13Å
380	W	92.8	Very high	79.5	Confident	25 Å²	25	47.7 Å²	47.7	10%	0.095	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.8	168.8	-175.7	32.5	0	0	0	110.1	Y382 A404 D405 A407 T411 H413 L414 V415 L428 F433	W380-Y382 AromaticContact CE2-CD2 3.75Å; W380-Y382 AromaticContact CH2-CD2 3.94Å; W380-Y382 HydrophobicContact CH2-CD2 3.94Å; W380-Y382 HydrophobicContact CH2-CE2 4.27Å; W380-Y382 HydrophobicContact CH2-CG 4.37Å; W380-Y382 AromaticContact CZ2-CD2 3.29Å; W380-Y382 HydrophobicContact CZ2-CD2 3.29Å; W380-Y382 AromaticContact CZ2-CE2 3.77Å; W380-Y382 HydrophobicContact CZ2-CE2 3.77Å; W380-Y382 HydrophobicContact CZ2-CG 4.02Å; W380-A404 HydrophobicContact CB-CB 4.09Å; W380-A404 VanDerWaalsContact CD1-O 3.23Å; W380-D405 PolarHBondContact NE1-O 3.17Å; W380-D405 VanDerWaalsContact NE1-O 3.16Å; W380-A407 HydrophobicContact CE3-CB 3.96Å; W380-A407 HydrophobicContact CH2-CB 4.44Å; W380-A407 HydrophobicContact CZ3-CB 3.67Å; W380-T411 HydrophobicContact CB-CG2 3.79Å; W380-H413 PolarHBondContact N-O 3.04Å; W380-L414 HydrophobicContact CB-CD1 4.21Å; W380-L414 HydrophobicContact CD2-CD1 3.87Å; W380-L414 HydrophobicContact CE3-CD1 3.54Å; W380-L414 HydrophobicContact CE3-CD2 4.14Å; W380-L414 HydrophobicContact CE3-CG 4.36Å; W380-L414 HydrophobicContact CG-CD1 4.17Å; W380-L414 HydrophobicContact CZ3-CD1 4.23Å; W380-L414 HydrophobicContact CZ3-CD2 4.25Å; W380-L414 WeakPolarHBondContact O-CA 3.08Å; W380-V415 PolarHBondContact O-N 2.9Å; W380-L428 HydrophobicContact CH2-CD2 3.67Å; W380-L428 HydrophobicContact CZ3-CD2 3.67Å; W380-F433 HydrophobicContact CE3-CE1 4.36Å; W380-F433 HydrophobicContact CZ3-CE1 4.09Å; W380-F433 HydrophobicContact CZ3-CZ 4.04Å
381	V	90.7	Very high	81.1	Confident	6 Å²	6	46.4 Å²	46.4	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.8	178.8	179	0	0	0	0	109	I379 F384 R389 L392 F393 I396 V415	I379-V381 HydrophobicContact CG2-CG2 4.4Å; V381-F384 HydrophobicContact CG1-CD2 3.43Å; V381-F384 VanDerWaalsContact CG1-CD2 3.43Å; V381-F384 HydrophobicContact CG1-CE2 3.82Å; V381-F384 HydrophobicContact CG1-CG 4.31Å; V381-R389 HydrophobicContact CG1-CG 4.19Å; V381-L392 HydrophobicContact CG1-CB 4.19Å; V381-L392 HydrophobicContact CG1-CD1 3.68Å; V381-L392 HydrophobicContact CG2-CB 4.44Å; V381-F393 HydrophobicContact CB-CE1 4.37Å; V381-F393 HydrophobicContact CG2-CD1 4.47Å; V381-F393 HydrophobicContact CG2-CE1 4.19Å; V381-I396 HydrophobicContact CG2-CD1 3.43Å; V381-I396 VanDerWaalsContact CG2-CD1 3.43Å; V381-V415 HydrophobicContact CG2-CB 4.39Å
382	Y	88.8	Confident	82.5	Confident	48 Å²	48	45.9 Å²	45.9	19%	0.188	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145.8	-172.7	-165	-93.1	0	0	0	113.7	W380 F384 V415 L416 N417 D424 L428	W380-Y382 AromaticContact CE2-CD2 3.75Å; W380-Y382 AromaticContact CH2-CD2 3.94Å; W380-Y382 HydrophobicContact CH2-CD2 3.94Å; W380-Y382 HydrophobicContact CH2-CE2 4.27Å; W380-Y382 HydrophobicContact CH2-CG 4.37Å; W380-Y382 AromaticContact CZ2-CD2 3.29Å; W380-Y382 HydrophobicContact CZ2-CD2 3.29Å; W380-Y382 AromaticContact CZ2-CE2 3.77Å; W380-Y382 HydrophobicContact CZ2-CE2 3.77Å; W380-Y382 HydrophobicContact CZ2-CG 4.02Å; Y382-F384 VanDerWaalsContact O-CD2 3.25Å; Y382-F384 WeakPolarHBondContact O-CD2 3.49Å; Y382-F384 VanDerWaalsContact O-CE2 3.27Å; Y382-F384 WeakPolarHBondContact O-CE2 3.47Å; Y382-V415 PolarHBondContact N-O 3.14Å; Y382-L416 HydrophobicContact CD1-CD1 4.49Å; Y382-N417 PolarHBondContact O-N 3.03Å; Y382-N417 VanDerWaalsContact O-N 3.13Å; Y382-D424 HydrophobicContact CE1-CB 3.96Å; Y382-L428 HydrophobicContact CD1-CD1 3.99Å; Y382-L428 HydrophobicContact CD1-CD2 4.04Å; Y382-L428 HydrophobicContact CD1-CG 4.33Å; Y382-L428 HydrophobicContact CE1-CD1 4Å; Y382-L428 HydrophobicContact CE1-CD2 4.16Å; Y382-L428 HydrophobicContact CE1-CG 4.11Å; Y382-L428 HydrophobicContact CG-CD2 4.41Å
383	G	86.6	Confident	83.3	Confident	26 Å²	26	43.1 Å²	43.1	27%	0.268	23%	0.231	S	C	.	.	S	Bend	trans	85.5	8.2	179.8	0	0	0	0	0	115.9	N417	G383-N417 VanDerWaalsContact O-CB 3.3Å; G383-N417 WeakPolarHBondContact O-CB 3.27Å; G383-N417 PolarHBondContact O-ND2 3.05Å
384	F	86	Confident	83.3	Confident	6 Å²	6	44.2 Å²	44.2	3%	0.026	23%	0.234	C	C	.	.			trans	-104.6	147.1	-178.1	-60.5	-85.3	0	0	0	113	V381 Y382 L388 R389 L392 V415 L416 N417 F441	V381-F384 HydrophobicContact CG1-CD2 3.43Å; V381-F384 VanDerWaalsContact CG1-CD2 3.43Å; V381-F384 HydrophobicContact CG1-CE2 3.82Å; V381-F384 HydrophobicContact CG1-CG 4.31Å; Y382-F384 VanDerWaalsContact O-CD2 3.25Å; Y382-F384 WeakPolarHBondContact O-CD2 3.49Å; Y382-F384 VanDerWaalsContact O-CE2 3.27Å; Y382-F384 WeakPolarHBondContact O-CE2 3.47Å; F384-L388 HydrophobicContact CB-CB 4.29Å; F384-L388 HydrophobicContact CD1-CB 4.35Å; F384-L388 HydrophobicContact CD1-CD2 3.68Å; F384-L388 HydrophobicContact CE1-CD2 4.16Å; F384-R389 HydrophobicContact CB-CB 4.28Å; F384-R389 PolarHBondContact O-NE 2.94Å; F384-R389 PolarHBondContact O-NH2 2.96Å; F384-L392 HydrophobicContact CD1-CD1 3.77Å; F384-L392 HydrophobicContact CD2-CD1 3.78Å; F384-L392 HydrophobicContact CE1-CD1 3.78Å; F384-L392 HydrophobicContact CE2-CD1 3.8Å; F384-L392 HydrophobicContact CG-CD1 3.75Å; F384-L392 HydrophobicContact CZ-CD1 3.79Å; F384-V415 HydrophobicContact CE2-CG1 3.99Å; F384-V415 HydrophobicContact CZ-CG1 4.11Å; F384-L416 VanDerWaalsContact CZ-C 3.48Å; F384-L416 WeakPolarHBondContact CZ-O 3.21Å; F384-N417 HydrophobicContact CD1-CB 3.95Å; F384-N417 HydrophobicContact CD2-CB 4.28Å; F384-N417 HydrophobicContact CE1-CB 3.7Å; F384-N417 HydrophobicContact CE2-CB 4.05Å; F384-N417 VanDerWaalsContact CE2-N 3.33Å; F384-N417 HydrophobicContact CG-CB 4.26Å; F384-N417 HydrophobicContact CZ-CB 3.76Å; F384-N417 VanDerWaalsContact CZ-N 3.27Å; F384-F441 HydrophobicContact CE1-CB 4.2Å; F384-F441 HydrophobicContact CE1-CD1 4.32Å; F384-F441 HydrophobicContact CE1-CG 4.45Å; F384-F441 HydrophobicContact CZ-CB 3.89Å
385	D	81.7	Confident	83.1	Confident	85 Å²	85	44.2 Å²	44.2	46%	0.455	23%	0.234	S	C	.	.			trans	-61.9	166.6	168.8	70.3	72.3	0	0	0	112.1	T387 L388 R389	D385-T387 VanDerWaalsContact C-N 3.3Å; D385-T387 PolarHBondContact O-N 3.11Å; D385-T387 WeakPolarHBondContact OD1-CA 3.48Å; D385-T387 WeakPolarHBondContact OD1-CB 3.44Å; D385-T387 PolarHBondContact OD1-N 2.69Å; D385-L388 PolarHBondContact OD1-N 2.85Å; D385-R389 WeakPolarHBondContact O-CB 3.45Å; D385-R389 PolarHBondContact O-N 2.99Å
386	A	71.4	Confident	83.6	Confident	77 Å²	77	40.6 Å²	40.6	64%	0.636	21%	0.21	S	C	*	.	H	α-helix	trans	-60.6	-36.6	-175.8	0	0	0	0	0	113.3	E390	A386-E390 WeakPolarHBondContact O-CB 3.31Å; A386-E390 PolarHBondContact O-N 3.11Å
387	T	75.9	Confident	83.3	Confident	80 Å²	80	38.9 Å²	38.9	49%	0.491	20%	0.201	S	C	.	.	H	α-helix	trans	-75.9	-42.7	-175.9	-49.2	0	0	0	0	111.6	D385 R391	D385-T387 VanDerWaalsContact C-N 3.3Å; D385-T387 PolarHBondContact O-N 3.11Å; D385-T387 WeakPolarHBondContact OD1-CA 3.48Å; D385-T387 WeakPolarHBondContact OD1-CB 3.44Å; D385-T387 PolarHBondContact OD1-N 2.69Å; T387-R391 PolarHBondContact O-N 3.1Å
388	L	76.9	Confident	82.8	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-66.8	-40.7	173.4	-119.9	81.6	0	0	0	111.6	L353 L356 F384 D385 E390 R391 L392	L353-L388 HydrophobicContact CD1-CD1 4.15Å; L353-L388 HydrophobicContact CD1-CD2 4.09Å; L353-L388 HydrophobicContact CD2-CD1 3.79Å; L353-L388 HydrophobicContact CG-CD1 4Å; L356-L388 HydrophobicContact CD1-CD1 4.35Å; L356-L388 HydrophobicContact CD1-CD2 3.56Å; L356-L388 HydrophobicContact CD1-CG 3.8Å; F384-L388 HydrophobicContact CB-CB 4.29Å; F384-L388 HydrophobicContact CD1-CB 4.35Å; F384-L388 HydrophobicContact CD1-CD2 3.68Å; F384-L388 HydrophobicContact CE1-CD2 4.16Å; D385-L388 PolarHBondContact OD1-N 2.85Å; L388-E390 PolarHBondContact O-N 2.9Å; L388-R391 WeakPolarHBondContact O-CB 3.39Å; L388-R391 PolarHBondContact O-N 3.45Å; L388-R391 VanDerWaalsContact O-N 3.16Å; L388-L392 WeakPolarHBondContact O-CG 3.45Å; L388-L392 PolarHBondContact O-N 2.79Å
389	R	81.4	Confident	82.2	Confident	109 Å²	109	40.7 Å²	40.7	41%	0.411	21%	0.209	S	C	.	.	H	α-helix	trans	-61.8	-41.6	179.1	-165.7	-170.8	-49.1	-168	2.9	111.8	V381 F384 D385 R391 L392 F393	V381-R389 HydrophobicContact CG1-CG 4.19Å; F384-R389 HydrophobicContact CB-CB 4.28Å; F384-R389 PolarHBondContact O-NE 2.94Å; F384-R389 PolarHBondContact O-NH2 2.96Å; D385-R389 WeakPolarHBondContact O-CB 3.45Å; D385-R389 PolarHBondContact O-N 2.99Å; R389-R391 VanDerWaalsContact C-N 3.33Å; R389-R391 PolarHBondContact O-N 3.43Å; R389-L392 PolarHBondContact O-N 2.97Å; R389-F393 HydrophobicContact CG-CD2 4.08Å; R389-F393 HydrophobicContact CG-CE2 3.61Å; R389-F393 HydrophobicContact CG-CZ 4.2Å; R389-F393 VanDerWaalsContact O-CD2 3.3Å; R389-F393 WeakPolarHBondContact O-CD2 3.48Å; R389-F393 PolarHBondContact O-N 3.47Å
390	E	75.9	Confident	81.2	Confident	93 Å²	93	41.8 Å²	41.8	44%	0.435	22%	0.22	S	C	.	.	H	α-helix	trans	-61.9	-38.5	174.1	-163.1	-164.4	159	0	0	112.2	S299 A386 L388 K394	S299-E390 PolarHBondContact OG-OE1 2.66Å; A386-E390 WeakPolarHBondContact O-CB 3.31Å; A386-E390 PolarHBondContact O-N 3.11Å; L388-E390 PolarHBondContact O-N 2.9Å; E390-K394 WeakPolarHBondContact O-CG 3.28Å; E390-K394 PolarHBondContact O-N 3.01Å; E390-K394 IonicContact OE1-NZ 3.57Å; E390-K394 PolarHBondContact OE1-NZ 3.35Å
391	R	79.9	Confident	80.7	Confident	59 Å²	59	40.9 Å²	40.9	22%	0.223	22%	0.218	C	C	.	.	H	α-helix	trans	-66.6	-43	174	-67.3	-179.7	-172.4	179.7	5.2	112.2	T387 L388 R389 K394 I395	T387-R391 PolarHBondContact O-N 3.1Å; L388-R391 WeakPolarHBondContact O-CB 3.39Å; L388-R391 PolarHBondContact O-N 3.45Å; L388-R391 VanDerWaalsContact O-N 3.16Å; R389-R391 VanDerWaalsContact C-N 3.33Å; R389-R391 PolarHBondContact O-N 3.43Å; R391-K394 PolarHBondContact O-N 3.37Å; R391-I395 WeakPolarHBondContact O-CG1 3.44Å; R391-I395 PolarHBondContact O-N 2.97Å; R391-I395 VanDerWaalsContact O-N 3.15Å
392	L	84.5	Confident	80.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-41.5	178.6	-69.2	168.9	0	0	0	111.5	L356 V381 F384 L388 R389 K394 I395 I396 F441 L444	L356-L392 HydrophobicContact CD2-CD2 3.96Å; V381-L392 HydrophobicContact CG1-CB 4.19Å; V381-L392 HydrophobicContact CG1-CD1 3.68Å; V381-L392 HydrophobicContact CG2-CB 4.44Å; F384-L392 HydrophobicContact CD1-CD1 3.77Å; F384-L392 HydrophobicContact CD2-CD1 3.78Å; F384-L392 HydrophobicContact CE1-CD1 3.78Å; F384-L392 HydrophobicContact CE2-CD1 3.8Å; F384-L392 HydrophobicContact CG-CD1 3.75Å; F384-L392 HydrophobicContact CZ-CD1 3.79Å; L388-L392 WeakPolarHBondContact O-CG 3.45Å; L388-L392 PolarHBondContact O-N 2.79Å; R389-L392 PolarHBondContact O-N 2.97Å; L392-K394 VanDerWaalsContact C-N 3.35Å; L392-K394 PolarHBondContact O-N 3.39Å; L392-I395 PolarHBondContact O-N 3.01Å; L392-I395 VanDerWaalsContact O-N 3.12Å; L392-I396 WeakPolarHBondContact O-CG1 3.19Å; L392-I396 PolarHBondContact O-N 3.26Å; L392-F441 HydrophobicContact CD2-CB 3.95Å; L392-L444 HydrophobicContact CB-CD2 4.47Å; L392-L444 HydrophobicContact CD2-CD2 4.03Å
393	F	82.8	Confident	79.9	Confident	67 Å²	67	43.2 Å²	43.2	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-61.3	-39.5	173.5	-73.2	-46.2	0	0	0	112.8	V381 R389 I395 I396 D397 S403	V381-F393 HydrophobicContact CB-CE1 4.37Å; V381-F393 HydrophobicContact CG2-CD1 4.47Å; V381-F393 HydrophobicContact CG2-CE1 4.19Å; R389-F393 HydrophobicContact CG-CD2 4.08Å; R389-F393 HydrophobicContact CG-CE2 3.61Å; R389-F393 HydrophobicContact CG-CZ 4.2Å; R389-F393 VanDerWaalsContact O-CD2 3.3Å; R389-F393 WeakPolarHBondContact O-CD2 3.48Å; R389-F393 PolarHBondContact O-N 3.47Å; F393-I395 VanDerWaalsContact C-N 3.29Å; F393-I395 PolarHBondContact O-N 2.82Å; F393-I396 HydrophobicContact CD1-CD1 4.02Å; F393-I396 WeakPolarHBondContact O-CB 3.49Å; F393-I396 PolarHBondContact O-N 3.47Å; F393-D397 PolarHBondContact O-N 3.06Å; F393-S403 VanDerWaalsContact CD1-OG 3.24Å; F393-S403 WeakPolarHBondContact CD1-OG 3.47Å
394	K	80.4	Confident	79.7	Confident	37 Å²	37	42.3 Å²	42.3	16%	0.161	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-38.1	172.8	-71.8	172.5	-174.7	170.5	0	112.2	S299 E390 R391 L392 F398	S299-K394 PolarHBondContact OG-NZ 3.15Å; E390-K394 WeakPolarHBondContact O-CG 3.28Å; E390-K394 PolarHBondContact O-N 3.01Å; E390-K394 IonicContact OE1-NZ 3.57Å; E390-K394 PolarHBondContact OE1-NZ 3.35Å; R391-K394 PolarHBondContact O-N 3.37Å; L392-K394 VanDerWaalsContact C-N 3.35Å; L392-K394 PolarHBondContact O-N 3.39Å; K394-F398 HydrophobicContact CB-CE2 4.35Å; K394-F398 WeakPolarHBondContact O-CD2 3.43Å; K394-F398 VanDerWaalsContact O-CG 3.29Å; K394-F398 WeakPolarHBondContact O-CG 3.17Å; K394-F398 PolarHBondContact O-N 3.26Å
395	I	82.7	Confident	79.3	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-70.4	-39.3	176.3	-60.4	172.6	0	0	0	111.3	L356 P357 L362 R391 L392 F393 F398 C399 L444 V445 F448	L356-I395 HydrophobicContact CD2-CD1 4.11Å; P357-I395 HydrophobicContact CG-CD1 4.2Å; L362-I395 HydrophobicContact CD2-CD1 4.21Å; L362-I395 HydrophobicContact CD2-CG1 3.74Å; R391-I395 WeakPolarHBondContact O-CG1 3.44Å; R391-I395 PolarHBondContact O-N 2.97Å; R391-I395 VanDerWaalsContact O-N 3.15Å; L392-I395 PolarHBondContact O-N 3.01Å; L392-I395 VanDerWaalsContact O-N 3.12Å; F393-I395 VanDerWaalsContact C-N 3.29Å; F393-I395 PolarHBondContact O-N 2.82Å; I395-F398 PolarHBondContact O-N 2.94Å; I395-C399 WeakPolarHBondContact O-CB 3.1Å; I395-C399 PolarHBondContact O-N 3.44Å; I395-C399 PolarHBondContact O-SG 3.04Å; I395-L444 HydrophobicContact CB-CD2 4.31Å; I395-L444 HydrophobicContact CB-CG 4.32Å; I395-L444 HydrophobicContact CG2-CD1 3.99Å; I395-L444 HydrophobicContact CG2-CD2 4.26Å; I395-L444 HydrophobicContact CG2-CG 3.72Å; I395-V445 HydrophobicContact CD1-CG2 3.93Å; I395-F448 HydrophobicContact CG2-CB 3.67Å; I395-F448 HydrophobicContact CG2-CD1 4.2Å; I395-F448 HydrophobicContact CG2-CG 3.9Å
396	I	85.3	Confident	79.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.6	-50.7	173.5	-70.2	170.5	0	0	0	110.3	I379 V381 L392 F393 F398 C399 G400 A401 L444	I379-I396 HydrophobicContact CB-CD1 3.96Å; I379-I396 HydrophobicContact CB-CG1 4.38Å; I379-I396 HydrophobicContact CD1-CG1 4.07Å; I379-I396 HydrophobicContact CD1-CG2 4.49Å; I379-I396 HydrophobicContact CG2-CD1 3.76Å; I379-I396 HydrophobicContact CG2-CG1 4.33Å; V381-I396 HydrophobicContact CG2-CD1 3.43Å; V381-I396 VanDerWaalsContact CG2-CD1 3.43Å; L392-I396 WeakPolarHBondContact O-CG1 3.19Å; L392-I396 PolarHBondContact O-N 3.26Å; F393-I396 HydrophobicContact CD1-CD1 4.02Å; F393-I396 WeakPolarHBondContact O-CB 3.49Å; F393-I396 PolarHBondContact O-N 3.47Å; I396-F398 PolarHBondContact O-N 2.91Å; I396-C399 PolarHBondContact O-N 3.47Å; I396-C399 VanDerWaalsContact O-N 3.16Å; I396-G400 PolarHBondContact O-N 2.97Å; I396-A401 HydrophobicContact CG2-CB 3.8Å; I396-A401 WeakPolarHBondContact CG2-O 3.35Å; I396-A401 PolarHBondContact O-N 3.48Å; I396-L444 HydrophobicContact CD1-CD2 4.25Å; I396-L444 HydrophobicContact CG1-CD1 4.02Å; I396-L444 HydrophobicContact CG1-CD2 3.67Å
397	D	76.9	Confident	79.6	Confident	67 Å²	67	43.1 Å²	43.1	36%	0.358	23%	0.231	S	C	.	.	H	α-helix	trans	-59.8	-43.8	176.7	-78.1	-13.2	0	0	0	111.9	Y294 F393 C399 G400	Y294-D397 VanDerWaalsContact CE1-OD2 3.25Å; Y294-D397 WeakPolarHBondContact CE1-OD2 3.36Å; Y294-D397 VanDerWaalsContact CZ-OD2 3.28Å; Y294-D397 PolarHBondContact OH-OD2 3.42Å; F393-D397 PolarHBondContact O-N 3.06Å; D397-C399 VanDerWaalsContact C-N 3.28Å; D397-C399 PolarHBondContact O-N 3.16Å; D397-G400 PolarHBondContact O-N 2.88Å; D397-G400 VanDerWaalsContact O-N 3.13Å
398	F	77.7	Confident	79.8	Confident	60 Å²	60	41.7 Å²	41.7	26%	0.263	22%	0.224	S	C	.	.	H	α-helix	trans	-66.8	-26.3	177.6	-70.2	-43.8	0	0	0	113.9	L362 S371 K394 I395 I396 G400 F448	L362-F398 HydrophobicContact CD2-CD2 4.49Å; L362-F398 HydrophobicContact CD2-CE2 4.44Å; S371-F398 VanDerWaalsContact O-O 3.05Å; K394-F398 HydrophobicContact CB-CE2 4.35Å; K394-F398 WeakPolarHBondContact O-CD2 3.43Å; K394-F398 VanDerWaalsContact O-CG 3.29Å; K394-F398 WeakPolarHBondContact O-CG 3.17Å; K394-F398 PolarHBondContact O-N 3.26Å; I395-F398 PolarHBondContact O-N 2.94Å; I396-F398 PolarHBondContact O-N 2.91Å; F398-G400 VanDerWaalsContact C-N 3.28Å; F398-F448 HydrophobicContact CB-CD2 4.13Å; F398-F448 HydrophobicContact CB-CE2 3.64Å; F398-F448 HydrophobicContact CB-CZ 4.28Å; F398-F448 HydrophobicContact CD2-CE2 4.46Å; F398-F448 HydrophobicContact CD2-CZ 4.26Å; F398-F448 HydrophobicContact CG-CE2 4.31Å
399	C	77.1	Confident	79.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-7.5	174.8	-64.1	0	0	0	0	113.5	S371 F372 C373 L374 I395 I396 D397 A401	S371-C399 CarbonylContact O-C 3.55Å; S371-C399 VanDerWaalsContact O-C 3.3Å; S371-C399 WeakPolarHBondContact O-CA 3.31Å; F372-C399 CarbonylContact C-O 3.51Å; C373-C399 PolarHBondContact N-O 3.49Å; C373-C399 VanDerWaalsContact N-O 3.15Å; L374-C399 HydrophobicContact CB-CB 3.95Å; L374-C399 HydrophobicContact CD1-CB 3.76Å; L374-C399 HydrophobicContact CG-CB 3.98Å; L374-C399 PolarHBondContact N-O 2.6Å; I395-C399 WeakPolarHBondContact O-CB 3.1Å; I395-C399 PolarHBondContact O-N 3.44Å; I395-C399 PolarHBondContact O-SG 3.04Å; I396-C399 PolarHBondContact O-N 3.47Å; I396-C399 VanDerWaalsContact O-N 3.16Å; D397-C399 VanDerWaalsContact C-N 3.28Å; D397-C399 PolarHBondContact O-N 3.16Å; C399-A401 VanDerWaalsContact C-N 3.29Å
400	G	70.2	Confident	79.6	Confident	22 Å²	22	42.4 Å²	42.4	23%	0.227	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	76	12.1	-171.8	0	0	0	0	0	114.5	P375 I396 D397 F398	P375-G400 WeakPolarHBondContact CA-O 3.3Å; I396-G400 PolarHBondContact O-N 2.97Å; D397-G400 PolarHBondContact O-N 2.88Å; D397-G400 VanDerWaalsContact O-N 3.13Å; F398-G400 VanDerWaalsContact C-N 3.28Å
401	A	83.1	Confident	80.1	Confident	7 Å²	7	38.2 Å²	38.2	6%	0.058	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-84.3	161.7	179.8	0	0	0	0	0	112.2	L374 C377 I379 I396 C399	L374-A401 HydrophobicContact CB-CB 3.9Å; L374-A401 WeakPolarHBondContact O-CA 3.16Å; L374-A401 WeakPolarHBondContact O-CB 3.46Å; C377-A401 HydrophobicContact CB-CB 4.14Å; C377-A401 WeakPolarHBondContact O-CA 3.5Å; C377-A401 WeakPolarHBondContact O-CB 3.45Å; I379-A401 HydrophobicContact CD1-CB 3.5Å; I379-A401 HydrophobicContact CG1-CB 4.17Å; I396-A401 HydrophobicContact CG2-CB 3.8Å; I396-A401 WeakPolarHBondContact CG2-O 3.35Å; I396-A401 PolarHBondContact O-N 3.48Å; C399-A401 VanDerWaalsContact C-N 3.29Å
402	I	78.3	Confident	80.7	Confident	59 Å²	59	37.4 Å²	37.4	30%	0.303	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.7	-179.4	-63	174.2	0	0	0	109.8	C377 K378 I379 I500	C377-I402 PolarHBondContact O-N 3.29Å; K378-I402 CarbonylContact C-O 3.51Å; K378-I402 WeakPolarHBondContact CA-O 3.3Å; K378-I402 HydrophobicContact CD-CG2 4.46Å; K378-I402 HydrophobicContact CG-CB 4.02Å; K378-I402 HydrophobicContact CG-CG2 3.81Å; I379-I402 PolarHBondContact N-O 3.23Å; I402-I500 HydrophobicContact CD1-CD1 4.02Å; I402-I500 HydrophobicContact CG2-CD1 3.68Å
403	S	83.1	Confident	81.1	Confident	43 Å²	43	37.4 Å²	37.4	30%	0.301	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	135.1	171.4	-62.3	0	0	0	0	111.5	F393	F393-S403 VanDerWaalsContact CD1-OG 3.24Å; F393-S403 WeakPolarHBondContact CD1-OG 3.47Å
404	A	81.8	Confident	81.7	Confident	7 Å²	7	34.2 Å²	34.2	6%	0.058	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.3	172.9	0	0	0	0	0	111.8	K378 I379 W380 T411	K378-A404 HydrophobicContact CG-CB 4.25Å; I379-A404 PolarHBondContact O-N 2.91Å; W380-A404 HydrophobicContact CB-CB 4.09Å; W380-A404 VanDerWaalsContact CD1-O 3.23Å; A404-T411 HydrophobicContact CB-CG2 4.34Å
405	D	78.3	Confident	82.3	Confident	127 Å²	127	32.4 Å²	32.4	68%	0.679	21%	0.213	S	C	*	.	S	Bend	trans	-78.1	-22.7	179.3	-54.2	-35.1	0	0	0	113	W380 Q503	W380-D405 PolarHBondContact NE1-O 3.17Å; W380-D405 VanDerWaalsContact NE1-O 3.16Å; D405-Q503 PolarHBondContact OD2-NE2 3.42Å
406	G	81	Confident	82.7	Confident	24 Å²	24	32.4 Å²	32.4	25%	0.247	21%	0.213	C	C	.	.	S	Bend	trans	-166.7	173.9	-171.2	0	0	0	0	0	113.8	S408 T411	G406-S408 PolarHBondContact O-N 3.3Å; G406-T411 PolarHBondContact O-OG1 2.96Å
407	A	78	Confident	82.9	Confident	34 Å²	34	34.1 Å²	34.1	28%	0.281	22%	0.222	S	C	.	.			trans	-66.4	127.5	167.7	0	0	0	0	0	110.8	W380 C431 F433	W380-A407 HydrophobicContact CE3-CB 3.96Å; W380-A407 HydrophobicContact CH2-CB 4.44Å; W380-A407 HydrophobicContact CZ3-CB 3.67Å; A407-C431 HydrophobicContact CB-CB 3.62Å; A407-F433 HydrophobicContact CB-CE1 3.83Å; A407-F433 HydrophobicContact CB-CZ 4.39Å
408	S	80.8	Confident	83.2	Confident	51 Å²	51	33.4 Å²	33.4	36%	0.357	22%	0.218	S	C	.	.			trans	-148.1	165	176.3	73.6	0	0	0	0	108.9	G406 S410 T411	G406-S408 PolarHBondContact O-N 3.3Å; S408-S410 PolarHBondContact O-N 3.45Å; S408-S410 PolarHBondContact OG-N 3.44Å; S408-S410 PolarHBondContact OG-OG 3.23Å; S408-T411 PolarHBondContact N-OG1 2.84Å; S408-T411 WeakPolarHBondContact O-CB 3.3Å; S408-T411 PolarHBondContact O-N 2.84Å; S408-T411 PolarHBondContact O-OG1 2.82Å; S408-T411 PolarHBondContact OG-N 2.83Å; S408-T411 PolarHBondContact OG-OG1 2.77Å
409	A	75.7	Confident	83.2	Confident	96 Å²	96	34.7 Å²	34.7	79%	0.793	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.2	172.7	0	0	0	0	0	113.3
410	S	78.7	Confident	83.2	Confident	37 Å²	37	36.1 Å²	36.1	26%	0.259	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-4.2	176	72.5	0	0	0	0	114.8	K378 S408 T412	K378-S410 VanDerWaalsContact CB-O 3.32Å; K378-S410 WeakPolarHBondContact CB-O 3.1Å; K378-S410 WeakPolarHBondContact CD-O 3.37Å; K378-S410 WeakPolarHBondContact CD-OG 3.47Å; K378-S410 PolarHBondContact NZ-OG 3.01Å; S408-S410 PolarHBondContact O-N 3.45Å; S408-S410 PolarHBondContact OG-N 3.44Å; S408-S410 PolarHBondContact OG-OG 3.23Å; S410-T412 PolarHBondContact O-N 3.32Å
411	T	86.5	Confident	83.7	Confident	6 Å²	6	39.1 Å²	39.1	4%	0.037	25%	0.251	C	S	.	.			trans	-85.9	94.3	-172.3	-54.4	0	0	0	0	110.8	W380 A404 G406 S408 H413 C436	W380-T411 HydrophobicContact CB-CG2 3.79Å; A404-T411 HydrophobicContact CB-CG2 4.34Å; G406-T411 PolarHBondContact O-OG1 2.96Å; S408-T411 PolarHBondContact N-OG1 2.84Å; S408-T411 WeakPolarHBondContact O-CB 3.3Å; S408-T411 PolarHBondContact O-N 2.84Å; S408-T411 PolarHBondContact O-OG1 2.82Å; S408-T411 PolarHBondContact OG-N 2.83Å; S408-T411 PolarHBondContact OG-OG1 2.77Å; T411-H413 WeakPolarHBondContact CG2-O 3.4Å; T411-H413 PolarHBondContact O-N 3.14Å; T411-C436 WeakPolarHBondContact O-CB 3.43Å; T411-C436 PolarHBondContact O-SG 3.44Å
412	T	91.4	Very high	83.4	Confident	41 Å²	41	46.8 Å²	46.8	25%	0.252	29%	0.285	S	S	.	.			trans	-65.3	-34.6	-177.6	65.5	0	0	0	0	114	C377 K378 S410 C436 H437	C377-T412 WeakPolarHBondContact CA-OG1 3.04Å; K378-T412 HydrophobicContact CB-CG2 4.4Å; K378-T412 PolarHBondContact N-OG1 3.33Å; K378-T412 PolarHBondContact O-N 3.33Å; K378-T412 PolarHBondContact O-OG1 3.07Å; S410-T412 PolarHBondContact O-N 3.32Å; T412-C436 CarbonylContact O-C 3.58Å; T412-C436 WeakPolarHBondContact O-CA 3.38Å; T412-H437 PolarHBondContact O-N 2.76Å
413	H	93.8	Very high	83.3	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	142.7	-174.3	-66.8	79.5	0	0	0	111.5	C377 K378 I379 W380 T411 C436 H437 W443 E456	C377-H413 VanDerWaalsContact SG-CE1 3.59Å; K378-H413 PolarHBondContact O-N 3.29Å; I379-H413 WeakPolarHBondContact CA-O 3.39Å; I379-H413 HydrophobicContact CG1-CB 4.17Å; I379-H413 HydrophobicContact CG2-CB 4.4Å; W380-H413 PolarHBondContact N-O 3.04Å; T411-H413 WeakPolarHBondContact CG2-O 3.4Å; T411-H413 PolarHBondContact O-N 3.14Å; H413-C436 VanDerWaalsContact C-SG 3.55Å; H413-H437 CarbonylContact C-O 3.6Å; H413-H437 WeakPolarHBondContact CA-O 3.37Å; H413-W443 HydrophobicContact CB-CZ3 4.44Å; H413-W443 AromaticContact CD2-CH2 3.45Å; H413-W443 VanDerWaalsContact CD2-CH2 3.45Å; H413-W443 WeakPolarHBondContact CD2-CH2 3.46Å; H413-W443 AromaticContact CD2-CZ2 3.71Å; H413-W443 AromaticContact CD2-CZ3 3.78Å; H413-W443 AromaticContact CE1-CH2 3.82Å; H413-W443 AromaticContact CG-CH2 3.83Å; H413-W443 AromaticContact NE2-CH2 3.47Å; H413-W443 WeakPolarHBondContact NE2-CH2 3.35Å; H413-W443 AromaticContact NE2-CZ2 3.4Å; H413-W443 WeakPolarHBondContact NE2-CZ2 3.41Å; H413-E456 VanDerWaalsContact NE2-CG 3.35Å; H413-E456 WeakPolarHBondContact NE2-CG 3.44Å; H413-E456 IonicContact NE2-OE1 2.62Å; H413-E456 PolarHBondContact NE2-OE1 2.91Å
414	L	94.4	Very high	83.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	107.7	167.9	172	51.9	0	0	0	108.2	W380 L416 L428 F433 H437 I438 V439	W380-L414 HydrophobicContact CB-CD1 4.21Å; W380-L414 HydrophobicContact CD2-CD1 3.87Å; W380-L414 HydrophobicContact CE3-CD1 3.54Å; W380-L414 HydrophobicContact CE3-CD2 4.14Å; W380-L414 HydrophobicContact CE3-CG 4.36Å; W380-L414 HydrophobicContact CG-CD1 4.17Å; W380-L414 HydrophobicContact CZ3-CD1 4.23Å; W380-L414 HydrophobicContact CZ3-CD2 4.25Å; W380-L414 WeakPolarHBondContact O-CA 3.08Å; L414-L416 HydrophobicContact CD1-CD1 3.69Å; L414-L416 HydrophobicContact CD2-CD1 3.6Å; L414-L416 HydrophobicContact CG-CD1 3.55Å; L414-L416 PolarHBondContact O-N 2.88Å; L414-L428 HydrophobicContact CD2-CD2 4.18Å; L414-F433 HydrophobicContact CD2-CD1 4.24Å; L414-F433 HydrophobicContact CD2-CE1 3.45Å; L414-F433 VanDerWaalsContact CD2-CE1 3.45Å; L414-F433 HydrophobicContact CD2-CE2 4.26Å; L414-F433 HydrophobicContact CD2-CZ 3.45Å; L414-F433 VanDerWaalsContact CD2-CZ 3.45Å; L414-H437 PolarHBondContact N-O 3.05Å; L414-I438 HydrophobicContact CB-CG1 4.33Å; L414-I438 HydrophobicContact CB-CG2 4.44Å; L414-I438 HydrophobicContact CD2-CG1 4.43Å; L414-I438 HydrophobicContact CD2-CG2 4.28Å; L414-I438 HydrophobicContact CG-CG2 4.27Å; L414-I438 WeakPolarHBondContact O-CA 3.08Å; L414-V439 PolarHBondContact O-N 3.16Å
415	V	93.9	Very high	83.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	107.2	169.5	173.1	0	0	0	0	107.5	I379 W380 V381 Y382 F384 V439 F441 W443 L444	I379-V415 HydrophobicContact CG2-CB 4.32Å; I379-V415 HydrophobicContact CG2-CG2 3.6Å; W380-V415 PolarHBondContact O-N 2.9Å; V381-V415 HydrophobicContact CG2-CB 4.39Å; Y382-V415 PolarHBondContact N-O 3.14Å; F384-V415 HydrophobicContact CE2-CG1 3.99Å; F384-V415 HydrophobicContact CZ-CG1 4.11Å; V415-V439 WeakPolarHBondContact CA-O 3.36Å; V415-V439 HydrophobicContact CG2-CG2 4.02Å; V415-F441 HydrophobicContact CG1-CB 3.95Å; V415-W443 HydrophobicContact CG2-CE3 4.47Å; V415-L444 HydrophobicContact CG2-CB 4.49Å
416	L	91.5	Very high	83.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	146.2	177.8	-132	75.8	0	0	0	110.7	Y382 F384 L414 V420 L428 V439 H461 L463	Y382-L416 HydrophobicContact CD1-CD1 4.49Å; F384-L416 VanDerWaalsContact CZ-C 3.48Å; F384-L416 WeakPolarHBondContact CZ-O 3.21Å; L414-L416 HydrophobicContact CD1-CD1 3.69Å; L414-L416 HydrophobicContact CD2-CD1 3.6Å; L414-L416 HydrophobicContact CG-CD1 3.55Å; L414-L416 PolarHBondContact O-N 2.88Å; L416-V420 HydrophobicContact CD2-CG2 3.68Å; L416-V420 HydrophobicContact CG-CG2 3.88Å; L416-L428 HydrophobicContact CD1-CD1 3.96Å; L416-L428 HydrophobicContact CD2-CD1 4.41Å; L416-V439 PolarHBondContact N-O 3.18Å; L416-H461 HydrophobicContact CB-CB 4.48Å; L416-H461 WeakPolarHBondContact CD2-ND1 3.36Å; L416-L463 HydrophobicContact CD2-CD1 4.04Å
417	N	88.5	Confident	83.3	Confident	35 Å²	35	51.4 Å²	51.4	19%	0.187	30%	0.298	C	S	.	.			trans	-66.3	143.5	164.2	-171.9	4.7	0	0	0	109.8	Y382 G383 F384 T419 V420 H461	Y382-N417 PolarHBondContact O-N 3.03Å; Y382-N417 VanDerWaalsContact O-N 3.13Å; G383-N417 VanDerWaalsContact O-CB 3.3Å; G383-N417 WeakPolarHBondContact O-CB 3.27Å; G383-N417 PolarHBondContact O-ND2 3.05Å; F384-N417 HydrophobicContact CD1-CB 3.95Å; F384-N417 HydrophobicContact CD2-CB 4.28Å; F384-N417 HydrophobicContact CE1-CB 3.7Å; F384-N417 HydrophobicContact CE2-CB 4.05Å; F384-N417 VanDerWaalsContact CE2-N 3.33Å; F384-N417 HydrophobicContact CG-CB 4.26Å; F384-N417 HydrophobicContact CZ-CB 3.76Å; F384-N417 VanDerWaalsContact CZ-N 3.27Å; N417-T419 PolarHBondContact ND2-O 3.07Å; N417-T419 PolarHBondContact ND2-OG1 3.41Å; N417-T419 PolarHBondContact O-N 3.34Å; N417-V420 VanDerWaalsContact O-CG2 3.24Å; N417-V420 WeakPolarHBondContact O-CG2 3.15Å; N417-H461 PolarHBondContact O-NE2 3.2Å
418	D	82.9	Confident	83.7	Confident	52 Å²	52	49.8 Å²	49.8	28%	0.278	28%	0.284	S	S	.	.	S	Bend	trans	-58.8	-28.9	178.7	-64.1	-13.3	0	0	0	111.5	T440 R442	D418-T440 WeakPolarHBondContact OD1-CG2 3.36Å; D418-R442 IonicContact OD1-NH1 3.49Å; D418-R442 IonicContact OD2-CZ 2.85Å; D418-R442 IonicContact OD2-NH1 3.38Å; D418-R442 PolarHBondContact OD2-NH1 3.34Å; D418-R442 IonicContact OD2-NH2 3.49Å
419	T	78.9	Confident	84	Confident	87 Å²	87	51.3 Å²	51.3	53%	0.534	29%	0.285	S	S	.	.	S	Bend	trans	-111.5	120.9	174.1	55.3	0	0	0	0	110.6	N417	N417-T419 PolarHBondContact ND2-O 3.07Å; N417-T419 PolarHBondContact ND2-OG1 3.41Å; N417-T419 PolarHBondContact O-N 3.34Å
420	V	77.7	Confident	84.3	Confident	31 Å²	31	55.5 Å²	55.5	19%	0.188	29%	0.285	C	S	.	.			trans	-134	129.6	178	-175.8	0	0	0	0	110	L416 N417 D424 V425 L428 L463	L416-V420 HydrophobicContact CD2-CG2 3.68Å; L416-V420 HydrophobicContact CG-CG2 3.88Å; N417-V420 VanDerWaalsContact O-CG2 3.24Å; N417-V420 WeakPolarHBondContact O-CG2 3.15Å; V420-D424 HydrophobicContact CG1-CB 3.49Å; V420-D424 VanDerWaalsContact CG1-CB 3.49Å; V420-V425 HydrophobicContact CB-CG2 4.36Å; V420-V425 HydrophobicContact CG1-CG2 3.94Å; V420-L428 HydrophobicContact CG1-CD1 4.36Å; V420-L463 HydrophobicContact CB-CD1 4.34Å
421	D	79.4	Confident	84.5	Confident	85 Å²	85	55.2 Å²	55.2	46%	0.455	28%	0.283	S	S	.	.			trans	-61.1	147	176.8	-90	17.1	0	0	0	111.8	K423 D424 V425	D421-K423 HydrophobicContact CB-CB 4.45Å; D421-K423 PolarHBondContact O-N 2.79Å; D421-K423 VanDerWaalsContact O-N 3.09Å; D421-K423 IonicContact OD2-NZ 2.68Å; D421-K423 PolarHBondContact OD2-NZ 3.33Å; D421-D424 HydrophobicContact CB-CB 4.48Å; D421-D424 WeakPolarHBondContact O-CB 3.43Å; D421-D424 PolarHBondContact O-N 3.43Å; D421-V425 WeakPolarHBondContact O-CG2 3.41Å; D421-V425 PolarHBondContact O-N 2.89Å
422	E	76.9	Confident	84.4	Confident	167 Å²	167	58.3 Å²	58.3	78%	0.78	30%	0.299	S	S	*	.	H	α-helix	trans	-58.4	-27.6	175.5	-72.5	-154.8	122.9	0	0	113.7	V425 S426	E422-V425 PolarHBondContact O-N 3.4Å; E422-S426 WeakPolarHBondContact O-CB 3.44Å; E422-S426 PolarHBondContact O-N 3.09Å; E422-S426 PolarHBondContact O-OG 3.41Å
423	K	76.9	Confident	84	Confident	148 Å²	148	56.5 Å²	56.5	64%	0.643	29%	0.288	S	S	*	.	H	α-helix	trans	-59.2	-49.5	174.4	-50.1	167.7	-162.4	139.8	0	110.1	D421 S426 I427	D421-K423 HydrophobicContact CB-CB 4.45Å; D421-K423 PolarHBondContact O-N 2.79Å; D421-K423 VanDerWaalsContact O-N 3.09Å; D421-K423 IonicContact OD2-NZ 2.68Å; D421-K423 PolarHBondContact OD2-NZ 3.33Å; K423-S426 WeakPolarHBondContact O-CB 3.26Å; K423-S426 PolarHBondContact O-N 2.82Å; K423-I427 PolarHBondContact O-N 3.31Å; K423-I427 VanDerWaalsContact O-N 3.16Å
424	D	79.8	Confident	83.3	Confident	45 Å²	45	59 Å²	59	24%	0.241	30%	0.303	C	S	.	.	H	α-helix	trans	-69.4	-41.4	180	-77.8	5.7	0	0	0	111.1	Y382 V420 D421 S426 I427 L428	Y382-D424 HydrophobicContact CE1-CB 3.96Å; V420-D424 HydrophobicContact CG1-CB 3.49Å; V420-D424 VanDerWaalsContact CG1-CB 3.49Å; D421-D424 HydrophobicContact CB-CB 4.48Å; D421-D424 WeakPolarHBondContact O-CB 3.43Å; D421-D424 PolarHBondContact O-N 3.43Å; D424-S426 PolarHBondContact O-N 3.5Å; D424-I427 PolarHBondContact O-N 2.63Å; D424-I427 VanDerWaalsContact O-N 3.08Å; D424-L428 WeakPolarHBondContact O-CB 3.15Å; D424-L428 VanDerWaalsContact O-CG 3.29Å; D424-L428 WeakPolarHBondContact O-CG 3.42Å; D424-L428 PolarHBondContact O-N 3.46Å
425	V	82.8	Confident	82.6	Confident	14 Å²	14	65.9 Å²	65.9	9%	0.085	34%	0.34	C	S	.	.	H	α-helix	trans	-57.4	-35.5	171.3	179.6	0	0	0	0	111.4	V420 D421 E422 K429 L463	V420-V425 HydrophobicContact CB-CG2 4.36Å; V420-V425 HydrophobicContact CG1-CG2 3.94Å; D421-V425 WeakPolarHBondContact O-CG2 3.41Å; D421-V425 PolarHBondContact O-N 2.89Å; E422-V425 PolarHBondContact O-N 3.4Å; V425-K429 WeakPolarHBondContact O-CB 3.39Å; V425-K429 VanDerWaalsContact O-CG 3.28Å; V425-K429 WeakPolarHBondContact O-CG 3.38Å; V425-K429 PolarHBondContact O-N 3.22Å; V425-L463 HydrophobicContact CG2-CD1 3.75Å
426	S	79.5	Confident	82.4	Confident	62 Å²	62	66 Å²	66	43%	0.434	34%	0.341	S	S	.	.	H	α-helix	trans	-74.3	-26	178.2	-57.7	0	0	0	0	113.6	E422 K423 D424	E422-S426 WeakPolarHBondContact O-CB 3.44Å; E422-S426 PolarHBondContact O-N 3.09Å; E422-S426 PolarHBondContact O-OG 3.41Å; K423-S426 WeakPolarHBondContact O-CB 3.26Å; K423-S426 PolarHBondContact O-N 2.82Å; D424-S426 PolarHBondContact O-N 3.5Å
427	I	82.3	Confident	82.4	Confident	88 Å²	88	69.6 Å²	69.6	45%	0.451	36%	0.357	S	S	.	.	H	α-helix	trans	-73.9	-51.4	169	-64.7	163.8	0	0	0	109.5	K423 D424 K429 K430	K423-I427 PolarHBondContact O-N 3.31Å; K423-I427 VanDerWaalsContact O-N 3.16Å; D424-I427 PolarHBondContact O-N 2.63Å; D424-I427 VanDerWaalsContact O-N 3.08Å; I427-K429 VanDerWaalsContact C-N 3.3Å; I427-K429 PolarHBondContact O-N 3.37Å; I427-K430 WeakPolarHBondContact O-CB 3.38Å; I427-K430 PolarHBondContact O-N 3.45Å
428	L	85.8	Confident	82.7	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-59.4	-36.3	-178	-68.2	167.1	0	0	0	112.5	W380 Y382 L414 L416 V420 D424 K430 C431 F433 L467	W380-L428 HydrophobicContact CH2-CD2 3.67Å; W380-L428 HydrophobicContact CZ3-CD2 3.67Å; Y382-L428 HydrophobicContact CD1-CD1 3.99Å; Y382-L428 HydrophobicContact CD1-CD2 4.04Å; Y382-L428 HydrophobicContact CD1-CG 4.33Å; Y382-L428 HydrophobicContact CE1-CD1 4Å; Y382-L428 HydrophobicContact CE1-CD2 4.16Å; Y382-L428 HydrophobicContact CE1-CG 4.11Å; Y382-L428 HydrophobicContact CG-CD2 4.41Å; L414-L428 HydrophobicContact CD2-CD2 4.18Å; L416-L428 HydrophobicContact CD1-CD1 3.96Å; L416-L428 HydrophobicContact CD2-CD1 4.41Å; V420-L428 HydrophobicContact CG1-CD1 4.36Å; D424-L428 WeakPolarHBondContact O-CB 3.15Å; D424-L428 VanDerWaalsContact O-CG 3.29Å; D424-L428 WeakPolarHBondContact O-CG 3.42Å; D424-L428 PolarHBondContact O-N 3.46Å; L428-K430 PolarHBondContact O-N 3.41Å; L428-C431 WeakPolarHBondContact O-CB 3.37Å; L428-C431 PolarHBondContact O-N 2.61Å; L428-F433 HydrophobicContact CB-CE2 4.23Å; L428-F433 HydrophobicContact CB-CZ 4.47Å; L428-F433 HydrophobicContact CD2-CE2 4.5Å; L428-F433 HydrophobicContact CD2-CZ 3.93Å; L428-F433 WeakPolarHBondContact O-CE2 3.28Å; L428-L467 HydrophobicContact CB-CD1 4.37Å; L428-L467 HydrophobicContact CB-CD2 3.65Å; L428-L467 HydrophobicContact CD1-CD1 4.46Å
429	K	85.9	Confident	83.2	Confident	83 Å²	83	65.7 Å²	65.7	36%	0.361	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-19	173.6	-81.5	175.2	178.4	175.2	0	114.8	V425 I427 L467 A470	V425-K429 WeakPolarHBondContact O-CB 3.39Å; V425-K429 VanDerWaalsContact O-CG 3.28Å; V425-K429 WeakPolarHBondContact O-CG 3.38Å; V425-K429 PolarHBondContact O-N 3.22Å; I427-K429 VanDerWaalsContact C-N 3.3Å; I427-K429 PolarHBondContact O-N 3.37Å; K429-L467 HydrophobicContact CG-CD2 4.07Å; K429-A470 HydrophobicContact CB-CB 4.15Å; K429-A470 HydrophobicContact CD-CB 4.45Å; K429-A470 HydrophobicContact CG-CB 3.79Å
430	K	82.6	Confident	84	Confident	184 Å²	184	62.2 Å²	62.2	80%	0.8	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-8.5	177.7	-57.7	178.4	-178.3	-178.5	0	113	I427 L428	I427-K430 WeakPolarHBondContact O-CB 3.38Å; I427-K430 PolarHBondContact O-N 3.45Å; L428-K430 PolarHBondContact O-N 3.41Å
431	C	83.9	Confident	84.5	Confident	31 Å²	31	61.4 Å²	61.4	21%	0.209	31%	0.309	C	S	.	.	S	Bend	trans	-86.1	153.6	177.2	-62.7	0	0	0	0	111.2	A407 L428 F433	A407-C431 HydrophobicContact CB-CB 3.62Å; L428-C431 WeakPolarHBondContact O-CB 3.37Å; L428-C431 PolarHBondContact O-N 2.61Å; C431-F433 HydrophobicContact CB-CD2 4.43Å; C431-F433 HydrophobicContact CB-CE1 4.02Å; C431-F433 HydrophobicContact CB-CE2 3.76Å; C431-F433 HydrophobicContact CB-CZ 3.51Å
432	D	83	Confident	85.1	Confident	72 Å²	72	61.1 Å²	61.1	39%	0.385	30%	0.302	S	S	.	.			trans	-84.5	125.9	171	-162.4	-30.7	0	0	0	110.5	T434 S471 Q475	D432-T434 WeakPolarHBondContact OD1-CB 3.38Å; D432-T434 WeakPolarHBondContact OD1-CG2 3.26Å; D432-T434 PolarHBondContact OD1-N 2.73Å; D432-T434 PolarHBondContact OD1-OG1 3.12Å; D432-S471 WeakPolarHBondContact CA-OG 3.46Å; D432-S471 PolarHBondContact OD1-OG 3.32Å; D432-Q475 PolarHBondContact OD2-NE2 3.47Å
433	F	84.8	Confident	85.9	Confident	3 Å²	3	53.2 Å²	53.2	1%	0.013	27%	0.265	C	S	.	.			trans	-129.1	16.5	176.6	-60.5	-55.3	0	0	0	113.6	W380 A407 L414 L428 C431 N435 C436 I438 L467 K468 S471	W380-F433 HydrophobicContact CE3-CE1 4.36Å; W380-F433 HydrophobicContact CZ3-CE1 4.09Å; W380-F433 HydrophobicContact CZ3-CZ 4.04Å; A407-F433 HydrophobicContact CB-CE1 3.83Å; A407-F433 HydrophobicContact CB-CZ 4.39Å; L414-F433 HydrophobicContact CD2-CD1 4.24Å; L414-F433 HydrophobicContact CD2-CE1 3.45Å; L414-F433 VanDerWaalsContact CD2-CE1 3.45Å; L414-F433 HydrophobicContact CD2-CE2 4.26Å; L414-F433 HydrophobicContact CD2-CZ 3.45Å; L414-F433 VanDerWaalsContact CD2-CZ 3.45Å; L428-F433 HydrophobicContact CB-CE2 4.23Å; L428-F433 HydrophobicContact CB-CZ 4.47Å; L428-F433 HydrophobicContact CD2-CE2 4.5Å; L428-F433 HydrophobicContact CD2-CZ 3.93Å; L428-F433 WeakPolarHBondContact O-CE2 3.28Å; C431-F433 HydrophobicContact CB-CD2 4.43Å; C431-F433 HydrophobicContact CB-CE1 4.02Å; C431-F433 HydrophobicContact CB-CE2 3.76Å; C431-F433 HydrophobicContact CB-CZ 3.51Å; F433-N435 PolarHBondContact O-N 3.04Å; F433-C436 HydrophobicContact CB-CB 4.1Å; F433-C436 HydrophobicContact CD1-CB 3.96Å; F433-C436 PolarHBondContact O-N 3.06Å; F433-C436 VanDerWaalsContact O-N 3.14Å; F433-I438 HydrophobicContact CB-CD1 4Å; F433-I438 HydrophobicContact CD2-CD1 3.97Å; F433-I438 HydrophobicContact CG-CD1 3.93Å; F433-L467 HydrophobicContact CD2-CB 4.04Å; F433-L467 HydrophobicContact CE2-CB 4.33Å; F433-L467 HydrophobicContact CE2-CD1 4.39Å; F433-L467 HydrophobicContact CE2-CD2 4.44Å; F433-K468 HydrophobicContact CB-CG 4.42Å; F433-K468 WeakPolarHBondContact O-CE 3.42Å; F433-K468 PolarHBondContact O-NZ 3.32Å; F433-S471 PolarHBondContact N-OG 3.37Å; F433-S471 VanDerWaalsContact N-OG 3.15Å
434	T	77.4	Confident	86.6	Confident	52 Å²	52	46.1 Å²	46.1	32%	0.319	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-56.3	-179.8	45.6	0	0	0	0	111.5	D432 K468	D432-T434 WeakPolarHBondContact OD1-CB 3.38Å; D432-T434 WeakPolarHBondContact OD1-CG2 3.26Å; D432-T434 PolarHBondContact OD1-N 2.73Å; D432-T434 PolarHBondContact OD1-OG1 3.12Å; T434-K468 PolarHBondContact O-NZ 2.97Å
435	N	81	Confident	86.9	Confident	144 Å²	144	44.1 Å²	44.1	77%	0.77	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	17.5	178.5	-67	-21.6	0	0	0	114.8	F433	F433-N435 PolarHBondContact O-N 3.04Å
436	C	88.6	Confident	87.1	Confident	4 Å²	4	46 Å²	46	3%	0.027	23%	0.233	C	C	.	.			trans	-107.2	135.2	-176.9	-167.7	0	0	0	0	112.1	T411 T412 H413 F433 K468	T411-C436 WeakPolarHBondContact O-CB 3.43Å; T411-C436 PolarHBondContact O-SG 3.44Å; T412-C436 CarbonylContact O-C 3.58Å; T412-C436 WeakPolarHBondContact O-CA 3.38Å; H413-C436 VanDerWaalsContact C-SG 3.55Å; F433-C436 HydrophobicContact CB-CB 4.1Å; F433-C436 HydrophobicContact CD1-CB 3.96Å; F433-C436 PolarHBondContact O-N 3.06Å; F433-C436 VanDerWaalsContact O-N 3.14Å; C436-K468 WeakPolarHBondContact O-CE 3.16Å; C436-K468 PolarHBondContact O-NZ 2.8Å
437	H	92.6	Very high	87.6	Confident	75 Å²	75	43 Å²	43	35%	0.347	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	113.2	172.2	-70.1	-100	0	0	0	110.5	T412 H413 L414 V439 E456	T412-H437 PolarHBondContact O-N 2.76Å; H413-H437 CarbonylContact C-O 3.6Å; H413-H437 WeakPolarHBondContact CA-O 3.37Å; L414-H437 PolarHBondContact N-O 3.05Å; H437-V439 HydrophobicContact CB-CG1 4.49Å; H437-E456 HydrophobicContact CB-CB 4.2Å; H437-E456 HydrophobicContact CB-CG 4.03Å; H437-E456 WeakPolarHBondContact ND1-CB 3.32Å
438	I	93.7	Very high	87.7	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	109.7	179.5	-49.8	173.1	0	0	0	108.9	L414 F433 A460 H461 L467 K468	L414-I438 HydrophobicContact CB-CG1 4.33Å; L414-I438 HydrophobicContact CB-CG2 4.44Å; L414-I438 HydrophobicContact CD2-CG1 4.43Å; L414-I438 HydrophobicContact CD2-CG2 4.28Å; L414-I438 HydrophobicContact CG-CG2 4.27Å; L414-I438 WeakPolarHBondContact O-CA 3.08Å; F433-I438 HydrophobicContact CB-CD1 4Å; F433-I438 HydrophobicContact CD2-CD1 3.97Å; F433-I438 HydrophobicContact CG-CD1 3.93Å; I438-A460 WeakPolarHBondContact O-CA 3.39Å; I438-H461 HydrophobicContact CG2-CB 3.94Å; I438-H461 PolarHBondContact O-N 3.32Å; I438-L467 HydrophobicContact CD1-CB 3.67Å; I438-L467 HydrophobicContact CD1-CD1 3.96Å; I438-L467 HydrophobicContact CD1-CG 4.48Å; I438-L467 HydrophobicContact CG2-CD1 4.48Å; I438-K468 HydrophobicContact CD1-CG 4.33Å
439	V	94.9	Very high	87.5	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157.9	-169.6	-65.7	0	0	0	0	112	L414 V415 L416 H437 W443 E456 F459	L414-V439 PolarHBondContact O-N 3.16Å; V415-V439 WeakPolarHBondContact CA-O 3.36Å; V415-V439 HydrophobicContact CG2-CG2 4.02Å; L416-V439 PolarHBondContact N-O 3.18Å; H437-V439 HydrophobicContact CB-CG1 4.49Å; V439-W443 HydrophobicContact CB-CB 3.97Å; V439-W443 HydrophobicContact CB-CG 4.29Å; V439-W443 HydrophobicContact CG1-CB 4.48Å; V439-W443 HydrophobicContact CG1-CG 4.37Å; V439-W443 HydrophobicContact CG2-CB 4.04Å; V439-W443 HydrophobicContact CG2-CD2 4.09Å; V439-W443 HydrophobicContact CG2-CE3 3.85Å; V439-W443 HydrophobicContact CG2-CG 4.18Å; V439-E456 HydrophobicContact CG1-CB 3.99Å; V439-F459 WeakPolarHBondContact CA-O 3.43Å
440	T	93.8	Very high	87.4	Confident	15 Å²	15	42.9 Å²	42.9	9%	0.092	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	159.3	168.8	60.4	0	0	0	0	111.1	D418 R442 W443 F459	D418-T440 WeakPolarHBondContact OD1-CG2 3.36Å; T440-R442 PolarHBondContact O-N 2.79Å; T440-R442 VanDerWaalsContact O-N 3.08Å; T440-W443 WeakPolarHBondContact O-CB 3.15Å; T440-W443 PolarHBondContact O-N 2.83Å; T440-W443 VanDerWaalsContact O-N 3.1Å; T440-F459 PolarHBondContact N-O 3.43Å; T440-F459 PolarHBondContact OG1-O 3.14Å
441	F	89.9	Confident	87.4	Confident	13 Å²	13	36.7 Å²	36.7	6%	0.057	20%	0.198	C	C	.	.	H	α-helix	trans	-58.5	-22.1	174.3	77.7	-85.4	0	0	0	114	L356 F384 L392 V415 W443 L444 V445	L356-F441 HydrophobicContact CD1-CD2 3.91Å; L356-F441 HydrophobicContact CD1-CE2 3.78Å; L356-F441 HydrophobicContact CD1-CZ 4.48Å; L356-F441 HydrophobicContact CD2-CD2 4.38Å; L356-F441 HydrophobicContact CG-CD2 3.92Å; L356-F441 HydrophobicContact CG-CE2 3.78Å; F384-F441 HydrophobicContact CE1-CB 4.2Å; F384-F441 HydrophobicContact CE1-CD1 4.32Å; F384-F441 HydrophobicContact CE1-CG 4.45Å; F384-F441 HydrophobicContact CZ-CB 3.89Å; L392-F441 HydrophobicContact CD2-CB 3.95Å; V415-F441 HydrophobicContact CG1-CB 3.95Å; F441-W443 PolarHBondContact O-N 2.97Å; F441-L444 PolarHBondContact O-N 3.21Å; F441-V445 HydrophobicContact CD2-CG2 3.97Å; F441-V445 WeakPolarHBondContact O-CG2 3.15Å; F441-V445 PolarHBondContact O-N 2.97Å; F441-V445 VanDerWaalsContact O-N 3.11Å
442	R	91	Very high	87.6	Confident	80 Å²	80	37.4 Å²	37.4	30%	0.302	21%	0.206	S	C	.	.	H	α-helix	trans	-60.2	-31.7	176	-68.2	-179.5	174.5	78.4	-4.3	112.4	D418 T440 N446 F459	D418-R442 IonicContact OD1-NH1 3.49Å; D418-R442 IonicContact OD2-CZ 2.85Å; D418-R442 IonicContact OD2-NH1 3.38Å; D418-R442 PolarHBondContact OD2-NH1 3.34Å; D418-R442 IonicContact OD2-NH2 3.49Å; T440-R442 PolarHBondContact O-N 2.79Å; T440-R442 VanDerWaalsContact O-N 3.08Å; R442-N446 WeakPolarHBondContact O-CB 3.41Å; R442-N446 PolarHBondContact O-N 2.99Å; R442-F459 HydrophobicContact CB-CD1 4.05Å; R442-F459 HydrophobicContact CB-CE1 4.43Å
443	W	94.6	Very high	88	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.7	-50.7	174.6	175.7	72.2	0	0	0	111.9	L374 I379 H413 V415 V439 T440 F441 S447 R453 L454 E456 F459	L374-W443 HydrophobicContact CD1-CH2 3.71Å; L374-W443 HydrophobicContact CD1-CZ2 4.31Å; L374-W443 HydrophobicContact CD1-CZ3 4.02Å; L374-W443 HydrophobicContact CD2-CH2 3.72Å; L374-W443 HydrophobicContact CD2-CZ2 3.67Å; L374-W443 HydrophobicContact CG-CH2 4.36Å; I379-W443 HydrophobicContact CD1-CH2 4.32Å; I379-W443 HydrophobicContact CD1-CZ3 3.91Å; H413-W443 HydrophobicContact CB-CZ3 4.44Å; H413-W443 AromaticContact CD2-CH2 3.45Å; H413-W443 VanDerWaalsContact CD2-CH2 3.45Å; H413-W443 WeakPolarHBondContact CD2-CH2 3.46Å; H413-W443 AromaticContact CD2-CZ2 3.71Å; H413-W443 AromaticContact CD2-CZ3 3.78Å; H413-W443 AromaticContact CE1-CH2 3.82Å; H413-W443 AromaticContact CG-CH2 3.83Å; H413-W443 AromaticContact NE2-CH2 3.47Å; H413-W443 WeakPolarHBondContact NE2-CH2 3.35Å; H413-W443 AromaticContact NE2-CZ2 3.4Å; H413-W443 WeakPolarHBondContact NE2-CZ2 3.41Å; V415-W443 HydrophobicContact CG2-CE3 4.47Å; V439-W443 HydrophobicContact CB-CB 3.97Å; V439-W443 HydrophobicContact CB-CG 4.29Å; V439-W443 HydrophobicContact CG1-CB 4.48Å; V439-W443 HydrophobicContact CG1-CG 4.37Å; V439-W443 HydrophobicContact CG2-CB 4.04Å; V439-W443 HydrophobicContact CG2-CD2 4.09Å; V439-W443 HydrophobicContact CG2-CE3 3.85Å; V439-W443 HydrophobicContact CG2-CG 4.18Å; T440-W443 WeakPolarHBondContact O-CB 3.15Å; T440-W443 PolarHBondContact O-N 2.83Å; T440-W443 VanDerWaalsContact O-N 3.1Å; F441-W443 PolarHBondContact O-N 2.97Å; W443-S447 VanDerWaalsContact O-CB 3.28Å; W443-S447 WeakPolarHBondContact O-CB 3.22Å; W443-S447 PolarHBondContact O-N 3.43Å; W443-S447 PolarHBondContact O-OG 2.93Å; W443-R453 HydrophobicContact CZ2-CG 4.4Å; W443-L454 PolarHBondContact NE1-O 2.94Å; W443-E456 HydrophobicContact CZ2-CG 4.36Å; W443-F459 HydrophobicContact CB-CB 3.58Å; W443-F459 HydrophobicContact CB-CD1 4.49Å; W443-F459 HydrophobicContact CB-CD2 4.26Å; W443-F459 HydrophobicContact CB-CG 3.87Å; W443-F459 AromaticContact CD1-CD2 3.76Å; W443-F459 HydrophobicContact CG-CB 4.29Å; W443-F459 HydrophobicContact CG-CD2 4.43Å; W443-F459 HydrophobicContact CG-CG 4.48Å
444	L	91.6	Very high	88.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.8	-48	-177.6	176.1	65.8	0	0	0	110.7	L374 I379 L392 I395 I396 V415 F441 N446 S447 F448	L374-L444 HydrophobicContact CD1-CD1 3.91Å; I379-L444 HydrophobicContact CD1-CD1 4.13Å; L392-L444 HydrophobicContact CB-CD2 4.47Å; L392-L444 HydrophobicContact CD2-CD2 4.03Å; I395-L444 HydrophobicContact CB-CD2 4.31Å; I395-L444 HydrophobicContact CB-CG 4.32Å; I395-L444 HydrophobicContact CG2-CD1 3.99Å; I395-L444 HydrophobicContact CG2-CD2 4.26Å; I395-L444 HydrophobicContact CG2-CG 3.72Å; I396-L444 HydrophobicContact CD1-CD2 4.25Å; I396-L444 HydrophobicContact CG1-CD1 4.02Å; I396-L444 HydrophobicContact CG1-CD2 3.67Å; V415-L444 HydrophobicContact CG2-CB 4.49Å; F441-L444 PolarHBondContact O-N 3.21Å; L444-N446 VanDerWaalsContact C-N 3.34Å; L444-N446 PolarHBondContact O-N 2.84Å; L444-S447 PolarHBondContact O-N 3.24Å; L444-F448 WeakPolarHBondContact O-CB 3.3Å; L444-F448 PolarHBondContact O-N 2.99Å
445	V	85.9	Confident	89	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-40.8	178.6	175.7	0	0	0	0	111.6	L356 I395 F441 K449	L356-V445 HydrophobicContact CD2-CG2 3.79Å; L356-V445 HydrophobicContact CG-CG2 4.27Å; I395-V445 HydrophobicContact CD1-CG2 3.93Å; F441-V445 HydrophobicContact CD2-CG2 3.97Å; F441-V445 WeakPolarHBondContact O-CG2 3.15Å; F441-V445 PolarHBondContact O-N 2.97Å; F441-V445 VanDerWaalsContact O-N 3.11Å; V445-K449 HydrophobicContact CG1-CD 4.08Å; V445-K449 WeakPolarHBondContact O-CB 3.39Å; V445-K449 VanDerWaalsContact O-CG 3.32Å; V445-K449 WeakPolarHBondContact O-CG 3.36Å; V445-K449 PolarHBondContact O-N 3.28Å
446	N	87.4	Confident	89.6	Confident	54 Å²	54	35.7 Å²	35.7	29%	0.289	20%	0.196	S	C	.	.	H	α-helix	trans	-78.7	-32.9	-178.7	-67.8	-7.6	0	0	0	112.4	R442 L444 F448 K449 A450 L454 F459	R442-N446 WeakPolarHBondContact O-CB 3.41Å; R442-N446 PolarHBondContact O-N 2.99Å; L444-N446 VanDerWaalsContact C-N 3.34Å; L444-N446 PolarHBondContact O-N 2.84Å; N446-F448 VanDerWaalsContact C-N 3.32Å; N446-K449 PolarHBondContact O-N 3.43Å; N446-A450 VanDerWaalsContact O-CB 3.22Å; N446-A450 WeakPolarHBondContact O-CB 3.49Å; N446-A450 PolarHBondContact O-N 3.46Å; N446-L454 VanDerWaalsContact C-CD1 3.48Å; N446-L454 HydrophobicContact CB-CD1 3.52Å; N446-F459 HydrophobicContact CB-CE1 4.39Å; N446-F459 HydrophobicContact CB-CZ 4.26Å; N446-F459 WeakPolarHBondContact ND2-CE1 3.33Å
447	S	89.5	Confident	89.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-37.6	172.5	-59.1	0	0	0	0	111.6	W443 L444 S451 A452 L454	W443-S447 VanDerWaalsContact O-CB 3.28Å; W443-S447 WeakPolarHBondContact O-CB 3.22Å; W443-S447 PolarHBondContact O-N 3.43Å; W443-S447 PolarHBondContact O-OG 2.93Å; L444-S447 PolarHBondContact O-N 3.24Å; S447-S451 PolarHBondContact O-N 2.77Å; S447-A452 CarbonylContact C-O 3.45Å; S447-A452 VanDerWaalsContact CA-O 3.23Å; S447-A452 WeakPolarHBondContact CA-O 3.5Å; S447-A452 WeakPolarHBondContact CB-O 3.19Å; S447-A452 PolarHBondContact O-N 2.85Å; S447-A452 VanDerWaalsContact O-N 3.11Å; S447-L454 PolarHBondContact OG-N 2.59Å
448	F	84.3	Confident	89.6	Confident	8 Å²	8	40.7 Å²	40.7	4%	0.035	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-52.7	169.5	178.3	-121	0	0	0	111.9	L362 M365 I395 F398 L444 N446 A450 S451	L362-F448 HydrophobicContact CD2-CE1 4.07Å; M365-F448 HydrophobicContact CB-CE1 4.14Å; M365-F448 HydrophobicContact CB-CZ 3.97Å; M365-F448 HydrophobicContact CE-CD1 4.04Å; M365-F448 HydrophobicContact CE-CE1 3.59Å; M365-F448 HydrophobicContact CE-CZ 4.44Å; M365-F448 HydrophobicContact SD-CE1 4.18Å; I395-F448 HydrophobicContact CG2-CB 3.67Å; I395-F448 HydrophobicContact CG2-CD1 4.2Å; I395-F448 HydrophobicContact CG2-CG 3.9Å; F398-F448 HydrophobicContact CB-CD2 4.13Å; F398-F448 HydrophobicContact CB-CE2 3.64Å; F398-F448 HydrophobicContact CB-CZ 4.28Å; F398-F448 HydrophobicContact CD2-CE2 4.46Å; F398-F448 HydrophobicContact CD2-CZ 4.26Å; F398-F448 HydrophobicContact CG-CE2 4.31Å; L444-F448 WeakPolarHBondContact O-CB 3.3Å; L444-F448 PolarHBondContact O-N 2.99Å; N446-F448 VanDerWaalsContact C-N 3.32Å; F448-A450 VanDerWaalsContact C-N 3.27Å; F448-A450 PolarHBondContact O-N 3.02Å; F448-S451 PolarHBondContact O-N 3.39Å
449	K	82.2	Confident	89.6	Confident	107 Å²	107	42.5 Å²	42.5	47%	0.465	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-35	178.7	-75.2	174.1	179.9	178.2	0	113.1	A355 M365 V445 N446 S451	A355-K449 PolarHBondContact O-NZ 3.37Å; M365-K449 HydrophobicContact CE-CG 3.87Å; V445-K449 HydrophobicContact CG1-CD 4.08Å; V445-K449 WeakPolarHBondContact O-CB 3.39Å; V445-K449 VanDerWaalsContact O-CG 3.32Å; V445-K449 WeakPolarHBondContact O-CG 3.36Å; V445-K449 PolarHBondContact O-N 3.28Å; N446-K449 PolarHBondContact O-N 3.43Å; K449-S451 VanDerWaalsContact C-N 3.33Å
450	A	83.8	Confident	89.5	Confident	52 Å²	52	44.7 Å²	44.7	43%	0.43	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.8	176.1	0	0	0	0	0	113.7	N446 F448 A452 L454	N446-A450 VanDerWaalsContact O-CB 3.22Å; N446-A450 WeakPolarHBondContact O-CB 3.49Å; N446-A450 PolarHBondContact O-N 3.46Å; F448-A450 VanDerWaalsContact C-N 3.27Å; F448-A450 PolarHBondContact O-N 3.02Å; A450-A452 PolarHBondContact O-N 3.1Å; A450-A452 VanDerWaalsContact O-N 3.13Å; A450-L454 HydrophobicContact CB-CD1 4.45Å; A450-L454 HydrophobicContact CB-CD2 4.06Å; A450-L454 HydrophobicContact CB-CG 4.38Å
451	S	82.1	Confident	89.4	Confident	55 Å²	55	44.4 Å²	44.4	39%	0.385	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	26.6	-170.1	-64.6	0	0	0	0	114.2	C373 S447 F448 K449	C373-S451 VanDerWaalsContact CB-C 3.49Å; C373-S451 WeakPolarHBondContact CB-O 3.41Å; S447-S451 PolarHBondContact O-N 2.77Å; F448-S451 PolarHBondContact O-N 3.39Å; K449-S451 VanDerWaalsContact C-N 3.33Å
452	A	86.9	Confident	89.4	Confident	45 Å²	45	49.3 Å²	49.3	37%	0.372	30%	0.298	S	S	.	.	S	Bend	trans	-151.2	147.3	-174.6	0	0	0	0	0	110.9	S447 A450 L454	S447-A452 CarbonylContact C-O 3.45Å; S447-A452 VanDerWaalsContact CA-O 3.23Å; S447-A452 WeakPolarHBondContact CA-O 3.5Å; S447-A452 WeakPolarHBondContact CB-O 3.19Å; S447-A452 PolarHBondContact O-N 2.85Å; S447-A452 VanDerWaalsContact O-N 3.11Å; A450-A452 PolarHBondContact O-N 3.1Å; A450-A452 VanDerWaalsContact O-N 3.13Å; A452-L454 PolarHBondContact O-N 3.41Å; A452-L454 VanDerWaalsContact O-N 3.12Å
453	R	91.5	Very high	89.3	Confident	95 Å²	95	47.1 Å²	47.1	36%	0.358	29%	0.293	S	S	.	.			trans	-64.7	110.6	174.3	-176.5	165.9	175.5	177.6	-5.7	110.2	C373 L374 D376 W443 E456	C373-R453 WeakPolarHBondContact O-CB 3.3Å; L374-R453 HydrophobicContact CD2-CB 3.73Å; L374-R453 HydrophobicContact CD2-CG 3.6Å; D376-R453 IonicContact OD1-NH1 2.7Å; D376-R453 PolarHBondContact OD1-NH1 3.15Å; D376-R453 IonicContact OD2-NH1 3.22Å; D376-R453 PolarHBondContact OD2-NH1 3.2Å; W443-R453 HydrophobicContact CZ2-CG 4.4Å; R453-E456 IonicContact CZ-OE1 3.57Å; R453-E456 VanDerWaalsContact CZ-OE1 3.22Å; R453-E456 IonicContact NE-OE1 3.88Å; R453-E456 PolarHBondContact NE-OE1 3.43Å; R453-E456 IonicContact NH2-OE1 3.45Å; R453-E456 PolarHBondContact NH2-OE1 2.97Å
454	L	91.5	Very high	89	Confident	52 Å²	52	48.2 Å²	48.2	27%	0.272	30%	0.3	S	S	.	.			trans	-80.5	149.4	173.6	-60.6	179.2	0	0	0	110.7	W443 N446 S447 A450 A452 E456 F459	W443-L454 PolarHBondContact NE1-O 2.94Å; N446-L454 VanDerWaalsContact C-CD1 3.48Å; N446-L454 HydrophobicContact CB-CD1 3.52Å; S447-L454 PolarHBondContact OG-N 2.59Å; A450-L454 HydrophobicContact CB-CD1 4.45Å; A450-L454 HydrophobicContact CB-CD2 4.06Å; A450-L454 HydrophobicContact CB-CG 4.38Å; A452-L454 PolarHBondContact O-N 3.41Å; A452-L454 VanDerWaalsContact O-N 3.12Å; L454-E456 PolarHBondContact O-N 3.29Å; L454-F459 HydrophobicContact CB-CE2 3.85Å; L454-F459 HydrophobicContact CD1-CE2 3.95Å; L454-F459 HydrophobicContact CD1-CZ 3.92Å
455	A	92.6	Very high	88.7	Confident	63 Å²	63	56.3 Å²	56.3	52%	0.521	34%	0.338	S	S	.	.			trans	-61.5	121.6	-179.8	0	0	0	0	0	111.4	A458	A455-A458 PolarHBondContact O-N 3.33Å
456	E	93.4	Very high	88.7	Confident	26 Å²	26	61.8 Å²	61.8	12%	0.121	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-58	-37	-176.5	-53.4	79.2	-177.8	0	0	114	H413 H437 V439 W443 R453 L454 A458 F459 A460	H413-E456 VanDerWaalsContact NE2-CG 3.35Å; H413-E456 WeakPolarHBondContact NE2-CG 3.44Å; H413-E456 IonicContact NE2-OE1 2.62Å; H413-E456 PolarHBondContact NE2-OE1 2.91Å; H437-E456 HydrophobicContact CB-CB 4.2Å; H437-E456 HydrophobicContact CB-CG 4.03Å; H437-E456 WeakPolarHBondContact ND1-CB 3.32Å; V439-E456 HydrophobicContact CG1-CB 3.99Å; W443-E456 HydrophobicContact CZ2-CG 4.36Å; R453-E456 IonicContact CZ-OE1 3.57Å; R453-E456 VanDerWaalsContact CZ-OE1 3.22Å; R453-E456 IonicContact NE-OE1 3.88Å; R453-E456 PolarHBondContact NE-OE1 3.43Å; R453-E456 IonicContact NH2-OE1 3.45Å; R453-E456 PolarHBondContact NH2-OE1 2.97Å; L454-E456 PolarHBondContact O-N 3.29Å; E456-A458 PolarHBondContact O-N 3.16Å; E456-F459 CarbonylContact O-C 3.55Å; E456-F459 PolarHBondContact O-N 3.29Å; E456-A460 PolarHBondContact O-N 3.18Å; E456-A460 VanDerWaalsContact O-N 3.12Å
457	P	90.5	Very high	88.6	Confident	103 Å²	103	59.3 Å²	59.3	67%	0.669	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-57.9	-32.1	179.8	-27.5	36.6	0	0	0	114.1	F459 A460	P457-F459 PolarHBondContact O-N 3.33Å; P457-A460 PolarHBondContact O-N 3.14Å
458	A	90	Very high	88.4	Confident	81 Å²	81	62.2 Å²	62.2	67%	0.669	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-69.6	-12.7	178.6	0	0	0	0	0	113.5	A455 E456	A455-A458 PolarHBondContact O-N 3.33Å; E456-A458 PolarHBondContact O-N 3.16Å
459	F	93.9	Very high	88.4	Confident	40 Å²	40	64.8 Å²	64.8	18%	0.175	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-128.8	13.3	-177	-58.6	-82.8	0	0	0	113	V439 T440 R442 W443 N446 L454 E456 P457 H461	V439-F459 WeakPolarHBondContact CA-O 3.43Å; T440-F459 PolarHBondContact N-O 3.43Å; T440-F459 PolarHBondContact OG1-O 3.14Å; R442-F459 HydrophobicContact CB-CD1 4.05Å; R442-F459 HydrophobicContact CB-CE1 4.43Å; W443-F459 HydrophobicContact CB-CB 3.58Å; W443-F459 HydrophobicContact CB-CD1 4.49Å; W443-F459 HydrophobicContact CB-CD2 4.26Å; W443-F459 HydrophobicContact CB-CG 3.87Å; W443-F459 AromaticContact CD1-CD2 3.76Å; W443-F459 HydrophobicContact CG-CB 4.29Å; W443-F459 HydrophobicContact CG-CD2 4.43Å; W443-F459 HydrophobicContact CG-CG 4.48Å; N446-F459 HydrophobicContact CB-CE1 4.39Å; N446-F459 HydrophobicContact CB-CZ 4.26Å; N446-F459 WeakPolarHBondContact ND2-CE1 3.33Å; L454-F459 HydrophobicContact CB-CE2 3.85Å; L454-F459 HydrophobicContact CD1-CE2 3.95Å; L454-F459 HydrophobicContact CD1-CZ 3.92Å; E456-F459 CarbonylContact O-C 3.55Å; E456-F459 PolarHBondContact O-N 3.29Å; P457-F459 PolarHBondContact O-N 3.33Å; F459-H461 PolarHBondContact O-N 3.07Å
460	A	92.2	Very high	88.3	Confident	48 Å²	48	60.7 Å²	60.7	40%	0.397	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-56.3	133.3	-178.1	0	0	0	0	0	111.3	I438 E456 P457	I438-A460 WeakPolarHBondContact O-CA 3.39Å; E456-A460 PolarHBondContact O-N 3.18Å; E456-A460 VanDerWaalsContact O-N 3.12Å; P457-A460 PolarHBondContact O-N 3.14Å
461	H	93.2	Very high	87.8	Confident	8 Å²	8	58.4 Å²	58.4	4%	0.037	35%	0.347	C	S	.	.			trans	-69.2	142	179.2	-167.1	-96.9	0	0	0	110.5	L416 N417 I438 F459 L463 S464	L416-H461 HydrophobicContact CB-CB 4.48Å; L416-H461 WeakPolarHBondContact CD2-ND1 3.36Å; N417-H461 PolarHBondContact O-NE2 3.2Å; I438-H461 HydrophobicContact CG2-CB 3.94Å; I438-H461 PolarHBondContact O-N 3.32Å; F459-H461 PolarHBondContact O-N 3.07Å; H461-L463 WeakPolarHBondContact ND1-CB 3.44Å; H461-L463 PolarHBondContact ND1-N 3.4Å; H461-L463 PolarHBondContact O-N 2.88Å; H461-S464 WeakPolarHBondContact O-CB 3.49Å; H461-S464 PolarHBondContact O-N 3.44Å
462	P	88.6	Confident	87.3	Confident	116 Å²	116	60.8 Å²	60.8	75%	0.753	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.6	178.9	-29.6	36.2	0	0	0	114.6	S464	P462-S464 VanDerWaalsContact C-N 3.3Å; P462-S464 PolarHBondContact O-N 3.03Å
463	L	88.9	Confident	86.5	Confident	35 Å²	35	65.8 Å²	65.8	18%	0.183	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.8	176	-61.3	174.9	0	0	0	114.6	L416 V420 V425 H461 Q465 K466 L467	L416-L463 HydrophobicContact CD2-CD1 4.04Å; V420-L463 HydrophobicContact CB-CD1 4.34Å; V425-L463 HydrophobicContact CG2-CD1 3.75Å; H461-L463 WeakPolarHBondContact ND1-CB 3.44Å; H461-L463 PolarHBondContact ND1-N 3.4Å; H461-L463 PolarHBondContact O-N 2.88Å; L463-Q465 PolarHBondContact O-N 2.89Å; L463-K466 HydrophobicContact CD2-CD 4.3Å; L463-K466 PolarHBondContact O-N 2.74Å; L463-L467 HydrophobicContact CB-CD1 4.1Å; L463-L467 HydrophobicContact CB-CG 4.33Å; L463-L467 WeakPolarHBondContact O-CG 3.28Å; L463-L467 PolarHBondContact O-N 2.75Å
464	S	88.5	Confident	85.2	Confident	22 Å²	22	63.2 Å²	63.2	15%	0.154	37%	0.367	C	S	.	.	H	α-helix	trans	-55.2	-53.1	-172.7	-178.6	0	0	0	0	112.9	H461 P462 K466 L467 K468	H461-S464 WeakPolarHBondContact O-CB 3.49Å; H461-S464 PolarHBondContact O-N 3.44Å; P462-S464 VanDerWaalsContact C-N 3.3Å; P462-S464 PolarHBondContact O-N 3.03Å; S464-K466 VanDerWaalsContact C-N 3.32Å; S464-K466 PolarHBondContact O-N 3Å; S464-L467 PolarHBondContact O-N 3.45Å; S464-K468 WeakPolarHBondContact O-CB 3.49Å; S464-K468 WeakPolarHBondContact O-CG 3.47Å; S464-K468 PolarHBondContact O-N 3.44Å
465	Q	85.3	Confident	83.6	Confident	171 Å²	171	64.8 Å²	64.8	80%	0.799	37%	0.373	S	S	*	.	H	α-helix	trans	-61.2	-38.8	175.3	-81.3	-176.3	-21	0	0	112.5	L463 S469	L463-Q465 PolarHBondContact O-N 2.89Å; Q465-S469 VanDerWaalsContact O-CB 3.3Å; Q465-S469 WeakPolarHBondContact O-CB 3.4Å; Q465-S469 PolarHBondContact O-N 3.41Å; Q465-S469 PolarHBondContact O-OG 3.29Å
466	K	86.2	Confident	81.8	Confident	117 Å²	117	65.6 Å²	65.6	51%	0.509	37%	0.374	S	S	.	.	H	α-helix	trans	-70.4	-32.5	-176.9	-161	175.3	-173.6	179.1	0	112.2	L463 S464 S469 A470	L463-K466 HydrophobicContact CD2-CD 4.3Å; L463-K466 PolarHBondContact O-N 2.74Å; S464-K466 VanDerWaalsContact C-N 3.32Å; S464-K466 PolarHBondContact O-N 3Å; K466-S469 PolarHBondContact O-OG 3.45Å; K466-A470 WeakPolarHBondContact O-CB 3.27Å; K466-A470 PolarHBondContact O-N 3.07Å
467	L	86.2	Confident	79.6	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.01	40%	0.403	C	S	.	.	H	α-helix	trans	-80.2	-44.9	175.6	-70.8	172.9	0	0	0	111.7	L428 K429 F433 I438 L463 S464 S469 A470 S471	L428-L467 HydrophobicContact CB-CD1 4.37Å; L428-L467 HydrophobicContact CB-CD2 3.65Å; L428-L467 HydrophobicContact CD1-CD1 4.46Å; K429-L467 HydrophobicContact CG-CD2 4.07Å; F433-L467 HydrophobicContact CD2-CB 4.04Å; F433-L467 HydrophobicContact CE2-CB 4.33Å; F433-L467 HydrophobicContact CE2-CD1 4.39Å; F433-L467 HydrophobicContact CE2-CD2 4.44Å; I438-L467 HydrophobicContact CD1-CB 3.67Å; I438-L467 HydrophobicContact CD1-CD1 3.96Å; I438-L467 HydrophobicContact CD1-CG 4.48Å; I438-L467 HydrophobicContact CG2-CD1 4.48Å; L463-L467 HydrophobicContact CB-CD1 4.1Å; L463-L467 HydrophobicContact CB-CG 4.33Å; L463-L467 WeakPolarHBondContact O-CG 3.28Å; L463-L467 PolarHBondContact O-N 2.75Å; S464-L467 PolarHBondContact O-N 3.45Å; L467-S469 PolarHBondContact O-N 3.16Å; L467-A470 PolarHBondContact O-N 2.85Å; L467-S471 PolarHBondContact O-N 2.74Å
468	K	85.7	Confident	77.3	Confident	60 Å²	60	76.9 Å²	76.9	26%	0.261	41%	0.409	S	S	.	.	H	α-helix	trans	-62.5	-41.8	176.5	-71	-162.4	174.9	-140.8	0	113.1	F433 T434 C436 I438 S464 A470 S471 I472	F433-K468 HydrophobicContact CB-CG 4.42Å; F433-K468 WeakPolarHBondContact O-CE 3.42Å; F433-K468 PolarHBondContact O-NZ 3.32Å; T434-K468 PolarHBondContact O-NZ 2.97Å; C436-K468 WeakPolarHBondContact O-CE 3.16Å; C436-K468 PolarHBondContact O-NZ 2.8Å; I438-K468 HydrophobicContact CD1-CG 4.33Å; S464-K468 WeakPolarHBondContact O-CB 3.49Å; S464-K468 WeakPolarHBondContact O-CG 3.47Å; S464-K468 PolarHBondContact O-N 3.44Å; K468-A470 PolarHBondContact O-N 3.07Å; K468-S471 WeakPolarHBondContact O-CB 3.45Å; K468-S471 PolarHBondContact O-N 2.88Å; K468-I472 WeakPolarHBondContact O-CG1 3.47Å; K468-I472 PolarHBondContact O-N 3.25Å
469	S	82.7	Confident	74.7	Confident	62 Å²	62	78.2 Å²	78.2	43%	0.434	41%	0.409	S	S	.	.	H	α-helix	trans	-67.1	-33.4	176.6	54.1	0	0	0	0	113.3	Q465 K466 L467 K473	Q465-S469 VanDerWaalsContact O-CB 3.3Å; Q465-S469 WeakPolarHBondContact O-CB 3.4Å; Q465-S469 PolarHBondContact O-N 3.41Å; Q465-S469 PolarHBondContact O-OG 3.29Å; K466-S469 PolarHBondContact O-OG 3.45Å; L467-S469 PolarHBondContact O-N 3.16Å; S469-K473 PolarHBondContact O-N 2.94Å; S469-K473 VanDerWaalsContact O-N 3.16Å
470	A	79.9	Confident	71.8	Confident	21 Å²	21	83.6 Å²	83.6	17%	0.174	44%	0.44	C	S	.	.	H	α-helix	trans	-67.6	-42.8	171.9	0	0	0	0	0	112.2	K429 K466 L467 K468 I472 K473 A474	K429-A470 HydrophobicContact CB-CB 4.15Å; K429-A470 HydrophobicContact CD-CB 4.45Å; K429-A470 HydrophobicContact CG-CB 3.79Å; K466-A470 WeakPolarHBondContact O-CB 3.27Å; K466-A470 PolarHBondContact O-N 3.07Å; L467-A470 PolarHBondContact O-N 2.85Å; K468-A470 PolarHBondContact O-N 3.07Å; A470-I472 PolarHBondContact O-N 2.98Å; A470-K473 PolarHBondContact O-N 3.47Å; A470-A474 PolarHBondContact O-N 3.27Å
471	S	73.3	Confident	68.7	Low	5 Å²	5	89.3 Å²	89.3	4%	0.035	46%	0.458	C	S	.	.	H	α-helix	trans	-58.1	-44.3	175.3	-175.4	0	0	0	0	112	D432 F433 L467 K468 A474 Q475	D432-S471 WeakPolarHBondContact CA-OG 3.46Å; D432-S471 PolarHBondContact OD1-OG 3.32Å; F433-S471 PolarHBondContact N-OG 3.37Å; F433-S471 VanDerWaalsContact N-OG 3.15Å; L467-S471 PolarHBondContact O-N 2.74Å; K468-S471 WeakPolarHBondContact O-CB 3.45Å; K468-S471 PolarHBondContact O-N 2.88Å; S471-A474 PolarHBondContact O-N 3.29Å; S471-Q475 PolarHBondContact O-N 3.38Å
472	I	72.5	Confident	65.5	Low	104 Å²	104	99.1 Å²	99.1	53%	0.533	50%	0.501	S	S	.	.	H	α-helix	trans	-65.6	-41.7	177.6	-67.3	159.7	0	0	0	111.2	K468 A470 A474 Q475 S476	K468-I472 WeakPolarHBondContact O-CG1 3.47Å; K468-I472 PolarHBondContact O-N 3.25Å; A470-I472 PolarHBondContact O-N 2.98Å; I472-A474 PolarHBondContact O-N 3.43Å; I472-Q475 PolarHBondContact O-N 3.39Å; I472-S476 PolarHBondContact O-N 2.82Å; I472-S476 VanDerWaalsContact O-N 3.08Å
473	K	69.1	Low	62.6	Low	150 Å²	150	99.8 Å²	99.8	65%	0.652	50%	0.503	S	S	*	.	H	α-helix	trans	-61.4	-42.9	174.9	-79.7	-170.8	170.4	-167.7	0	112.5	S469 A470 Q475 S476 E477	S469-K473 PolarHBondContact O-N 2.94Å; S469-K473 VanDerWaalsContact O-N 3.16Å; A470-K473 PolarHBondContact O-N 3.47Å; K473-Q475 VanDerWaalsContact C-N 3.27Å; K473-Q475 PolarHBondContact O-N 3.06Å; K473-S476 WeakPolarHBondContact O-CB 3.29Å; K473-S476 PolarHBondContact O-N 2.97Å; K473-S476 VanDerWaalsContact O-N 3.1Å; K473-E477 PolarHBondContact O-N 3.05Å; K473-E477 VanDerWaalsContact O-N 3.1Å
474	A	65.5	Low	59.5	Low	41 Å²	41	103.3 Å²	103.3	34%	0.339	53%	0.53	S	S	.	.	H	α-helix	trans	-64.5	-27.7	178.4	0	0	0	0	0	113.6	A470 S471 I472	A470-A474 PolarHBondContact O-N 3.27Å; S471-A474 PolarHBondContact O-N 3.29Å; I472-A474 PolarHBondContact O-N 3.43Å
475	Q	57.8	Low	56.5	Low	86 Å²	86	111.3 Å²	111.3	40%	0.402	57%	0.565	S	S	.	*	H	α-helix	trans	-76.7	-35.4	171.2	-71.2	-177.7	-12	0	0	112.3	D432 S471 I472 K473 E477 R478 T479	D432-Q475 PolarHBondContact OD2-NE2 3.47Å; S471-Q475 PolarHBondContact O-N 3.38Å; I472-Q475 PolarHBondContact O-N 3.39Å; K473-Q475 VanDerWaalsContact C-N 3.27Å; K473-Q475 PolarHBondContact O-N 3.06Å; Q475-E477 VanDerWaalsContact C-N 3.3Å; Q475-E477 PolarHBondContact O-N 2.89Å; Q475-R478 PolarHBondContact O-N 3.26Å; Q475-T479 PolarHBondContact O-OG1 2.82Å
476	S	54.7	Low	53.6	Low	79 Å²	79	109 Å²	109	55%	0.552	57%	0.565	S	S	*	*	H	α-helix	trans	-66.6	-26.6	175.3	-176	0	0	0	0	113.9	I472 K473 T479	I472-S476 PolarHBondContact O-N 2.82Å; I472-S476 VanDerWaalsContact O-N 3.08Å; K473-S476 WeakPolarHBondContact O-CB 3.29Å; K473-S476 PolarHBondContact O-N 2.97Å; K473-S476 VanDerWaalsContact O-N 3.1Å; S476-T479 PolarHBondContact O-OG1 3.1Å
477	E	47.5	Very low	50.6	Low	156 Å²	156	108.1 Å²	108.1	73%	0.729	58%	0.58	S	S	*	*	H	α-helix	trans	-84.2	-20.5	177.8	-72.3	172.8	179.2	0	0	112.7	K473 Q475	K473-E477 PolarHBondContact O-N 3.05Å; K473-E477 VanDerWaalsContact O-N 3.1Å; Q475-E477 VanDerWaalsContact C-N 3.3Å; Q475-E477 PolarHBondContact O-N 2.89Å
478	R	40.8	Very low	47.8	Very low	210 Å²	210	112.9 Å²	112.9	79%	0.792	62%	0.619	S	S	*	*	S	Bend	trans	-85.6	-9.6	178.1	-75.6	-177.4	177.2	-178.2	0.7	114.8	Q475	Q475-R478 PolarHBondContact O-N 3.26Å
479	T	35.4	Very low	45	Very low	109 Å²	109	117.8 Å²	117.8	67%	0.669	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	3.9	-171.4	20.5	0	0	0	0	114.6	Q475 S476	Q475-T479 PolarHBondContact O-OG1 2.82Å; S476-T479 PolarHBondContact O-OG1 3.1Å
480	N	33	Very low	42.3	Very low	153 Å²	153	119.6 Å²	119.6	82%	0.818	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	1.6	178.4	-85.4	-13.8	0	0	0	115.1
481	E	27.4	Very low	39.9	Very low	169 Å²	169	122 Å²	122	79%	0.79	68%	0.682	S	S	*	*	S	Bend	trans	-124.9	139.7	169.3	-69.9	-170.7	149.7	0	0	110.8
482	F	26.9	Very low	38	Very low	213 Å²	213	124.6 Å²	124.6	93%	0.934	70%	0.7	S	S	*	*			trans	71.2	101.6	-177.5	-89.1	-93.7	0	0	0	118.9
483	V	26.8	Very low	36.1	Very low	131 Å²	131	124.7 Å²	124.7	79%	0.794	71%	0.708	S	S	*	*			trans	-82.8	144.8	162	170	0	0	0	0	109.9
484	S	25.1	Very low	34.7	Very low	108 Å²	108	122.4 Å²	122.4	76%	0.755	70%	0.698	S	S	*	*			trans	82.9	90.8	171.3	-54.9	0	0	0	0	119
485	Q	23.9	Very low	33.4	Very low	191 Å²	191	125.9 Å²	125.9	89%	0.893	71%	0.707	S	S	*	*				-163	155.1	111.5	-103.6	-177.8	13.7	0	0	110.7
486	P	25	Very low	32.4	Very low	122 Å²	122	122.8 Å²	122.8	79%	0.792	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-78.2	153.6	-167.3	31.2	-35.1	0	0	0	113.8
487	A	24.2	Very low	31.7	Very low	99 Å²	99	121.3 Å²	121.3	82%	0.818	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-63.8	134.9	-171	0	0	0	0	0	114.5
488	A	25.7	Very low	31.5	Very low	101 Å²	101	118 Å²	118	84%	0.835	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-90.4	136.1	162.1	0	0	0	0	0	110.1
489	N	27.6	Very low	31.4	Very low	164 Å²	164	110.6 Å²	110.6	88%	0.877	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-75.6	163.4	-177	-82.6	-38.4	0	0	0	113.5
490	A	26.7	Very low	31.8	Very low	100 Å²	100	107.3 Å²	107.3	83%	0.826	62%	0.624	S	S	*	*			trans	-43.2	132	-173.6	0	0	0	0	0	116.6
491	S	29.2	Very low	32.2	Very low	70 Å²	70	100.6 Å²	100.6	49%	0.49	59%	0.589	S	S	.	*			trans	-62.6	129.5	173.5	52.1	0	0	0	0	112.5	E495	S491-E495 WeakPolarHBondContact CB-OE2 3.49Å
492	S	33	Very low	32.8	Very low	60 Å²	60	95.6 Å²	95.6	42%	0.42	57%	0.573	S	S	.	*			trans	-92.2	166.9	-179.1	78	0	0	0	0	113	K494 E495	S492-K494 PolarHBondContact O-N 3.49Å; S492-E495 PolarHBondContact O-N 3.37Å
493	P	33.4	Very low	33.4	Very low	107 Å²	107	90.4 Å²	90.4	70%	0.695	55%	0.551	S	S	*	*	H	α-helix	trans	-54.8	-19.5	178.5	-28	36.1	0	0	0	115.6
494	K	38.6	Very low	34	Very low	102 Å²	102	89.8 Å²	89.8	44%	0.443	54%	0.535	S	S	.	.	H	α-helix	trans	-58.4	-46.9	175.1	-82.8	-172.9	168.1	-172.4	0	112.6	T151 E152 S492 A496 I497 E498	T151-K494 WeakPolarHBondContact CG2-O 3.32Å; E152-K494 IonicContact OE1-NZ 2.65Å; E152-K494 PolarHBondContact OE1-NZ 3.01Å; S492-K494 PolarHBondContact O-N 3.49Å; K494-A496 VanDerWaalsContact C-N 3.26Å; K494-A496 PolarHBondContact O-N 3.15Å; K494-I497 PolarHBondContact O-N 3.45Å; K494-E498 PolarHBondContact O-N 2.98Å
495	E	38.8	Very low	34.4	Very low	113 Å²	113	86.1 Å²	86.1	53%	0.528	51%	0.512	S	S	.	.	H	α-helix	trans	-64.6	-33.2	-173.3	-68	174.3	-174.3	0	0	112.1	S491 S492 I497 E498 S499	S491-E495 WeakPolarHBondContact CB-OE2 3.49Å; S492-E495 PolarHBondContact O-N 3.37Å; E495-I497 PolarHBondContact O-N 2.91Å; E495-E498 PolarHBondContact O-N 2.9Å; E495-S499 PolarHBondContact O-N 3.33Å
496	A	36.7	Very low	34.8	Very low	21 Å²	21	81 Å²	81	17%	0.174	50%	0.502	C	S	.	.	H	α-helix	trans	-66.8	-34.3	178.7	0	0	0	0	0	113.2	K494	K494-A496 VanDerWaalsContact C-N 3.26Å; K494-A496 PolarHBondContact O-N 3.15Å
497	I	39.6	Very low	35.2	Very low	48 Å²	48	81.8 Å²	81.8	25%	0.246	50%	0.495	C	S	.	.	H	α-helix	trans	-79.4	-33.3	176	-53	169.2	0	0	0	109.7	T151 V172 K494 E495 S499 I500 L501	T151-I497 VanDerWaalsContact CG2-C 3.49Å; T151-I497 HydrophobicContact CG2-CB 3.54Å; T151-I497 HydrophobicContact CG2-CG2 3.7Å; V172-I497 HydrophobicContact CG1-CG2 3.99Å; K494-I497 PolarHBondContact O-N 3.45Å; E495-I497 PolarHBondContact O-N 2.91Å; I497-S499 VanDerWaalsContact C-N 3.3Å; I497-S499 PolarHBondContact O-N 3.18Å; I497-I500 PolarHBondContact O-N 3.41Å; I497-L501 HydrophobicContact CG2-CD1 3.93Å; I497-L501 HydrophobicContact CG2-CG 4.4Å; I497-L501 WeakPolarHBondContact O-CB 3.23Å; I497-L501 WeakPolarHBondContact O-CG 3.35Å; I497-L501 PolarHBondContact O-N 3.46Å
498	E	42.9	Very low	35.2	Very low	88 Å²	88	83.6 Å²	83.6	41%	0.411	49%	0.491	S	S	.	.	H	α-helix	trans	-67.6	-32.1	178	-157.5	155.6	-138.7	0	0	111.8	T151 K494 E495 L501 S502	T151-E498 HydrophobicContact CG2-CB 3.65Å; T151-E498 HydrophobicContact CG2-CG 4.29Å; K494-E498 PolarHBondContact O-N 2.98Å; E495-E498 PolarHBondContact O-N 2.9Å; E498-L501 PolarHBondContact O-N 2.81Å; E498-S502 VanDerWaalsContact O-CB 3.29Å; E498-S502 WeakPolarHBondContact O-CB 3.36Å; E498-S502 PolarHBondContact O-N 3.17Å; E498-S502 PolarHBondContact O-OG 2.78Å
499	S	40.1	Very low	35.2	Very low	53 Å²	53	85.9 Å²	85.9	37%	0.371	49%	0.485	S	S	.	.	H	α-helix	trans	-62.4	-41.5	169	170.2	0	0	0	0	113.5	E495 I497 S502 Q503	E495-S499 PolarHBondContact O-N 3.33Å; I497-S499 VanDerWaalsContact C-N 3.3Å; I497-S499 PolarHBondContact O-N 3.18Å; S499-S502 WeakPolarHBondContact CA-OG 3.4Å; S499-S502 PolarHBondContact O-OG 2.96Å; S499-S502 VanDerWaalsContact O-OG 3.08Å; S499-Q503 PolarHBondContact O-N 2.85Å; S499-Q503 VanDerWaalsContact O-N 3.16Å
500	I	42.6	Very low	35.1	Very low	40 Å²	40	83.1 Å²	83.1	21%	0.205	48%	0.476	C	S	.	.	H	α-helix	trans	-69	-42.8	177.6	-61.9	165.3	0	0	0	109.8	I402 I497 Q503 Y504	I402-I500 HydrophobicContact CD1-CD1 4.02Å; I402-I500 HydrophobicContact CG2-CD1 3.68Å; I497-I500 PolarHBondContact O-N 3.41Å; I500-Q503 PolarHBondContact O-N 2.98Å; I500-Y504 HydrophobicContact CG2-CD2 4.42Å; I500-Y504 HydrophobicContact CG2-CE2 3.96Å; I500-Y504 WeakPolarHBondContact O-CD2 3.34Å
501	L	41.2	Very low	35	Very low	12 Å²	12	84.3 Å²	84.3	6%	0.063	48%	0.478	C	S	.	.	H	α-helix	trans	-71.3	-32.6	-178.2	-70.2	174.7	0	0	0	112.9	L149 T151 A168 I497 E498 Y504 A505	L149-L501 HydrophobicContact CB-CD2 4.18Å; L149-L501 HydrophobicContact CD2-CD2 3.65Å; L149-L501 HydrophobicContact CG-CD1 4.46Å; L149-L501 HydrophobicContact CG-CD2 3.75Å; L149-L501 VanDerWaalsContact O-CB 3.3Å; L149-L501 WeakPolarHBondContact O-CB 3.27Å; L149-L501 WeakPolarHBondContact O-CD1 3.38Å; T151-L501 HydrophobicContact CG2-CD1 4.01Å; A168-L501 HydrophobicContact CB-CD2 4.02Å; I497-L501 HydrophobicContact CG2-CD1 3.93Å; I497-L501 HydrophobicContact CG2-CG 4.4Å; I497-L501 WeakPolarHBondContact O-CB 3.23Å; I497-L501 WeakPolarHBondContact O-CG 3.35Å; I497-L501 PolarHBondContact O-N 3.46Å; E498-L501 PolarHBondContact O-N 2.81Å; L501-Y504 PolarHBondContact O-N 2.86Å; L501-A505 PolarHBondContact O-N 2.94Å
502	S	40.8	Very low	34.8	Very low	65 Å²	65	85.6 Å²	85.6	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-73.4	-32.6	173.2	51.2	0	0	0	0	113.4	E498 S499 Y504 A505 A506	E498-S502 VanDerWaalsContact O-CB 3.29Å; E498-S502 WeakPolarHBondContact O-CB 3.36Å; E498-S502 PolarHBondContact O-N 3.17Å; E498-S502 PolarHBondContact O-OG 2.78Å; S499-S502 WeakPolarHBondContact CA-OG 3.4Å; S499-S502 PolarHBondContact O-OG 2.96Å; S499-S502 VanDerWaalsContact O-OG 3.08Å; S502-Y504 PolarHBondContact O-N 3.41Å; S502-A505 WeakPolarHBondContact O-CB 3.36Å; S502-A505 PolarHBondContact O-N 2.9Å; S502-A506 PolarHBondContact O-N 2.83Å
503	Q	39.6	Very low	34.5	Very low	104 Å²	104	89.4 Å²	89.4	49%	0.486	51%	0.513	S	S	.	.	H	α-helix	trans	-56.1	-30.1	168.7	-85.3	-176.6	-24	0	0	112.6	D405 S499 I500	D405-Q503 PolarHBondContact OD2-NE2 3.42Å; S499-Q503 PolarHBondContact O-N 2.85Å; S499-Q503 VanDerWaalsContact O-N 3.16Å; I500-Q503 PolarHBondContact O-N 2.98Å
504	Y	38.4	Very low	34.1	Very low	117 Å²	117	93 Å²	93	46%	0.459	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-8.1	174.9	-61.6	-61.1	0	0	0	114.8	K164 I500 L501 S502	K164-Y504 HydrophobicContact CD-CD1 4.07Å; K164-Y504 HydrophobicContact CD-CE1 4.49Å; I500-Y504 HydrophobicContact CG2-CD2 4.42Å; I500-Y504 HydrophobicContact CG2-CE2 3.96Å; I500-Y504 WeakPolarHBondContact O-CD2 3.34Å; L501-Y504 PolarHBondContact O-N 2.86Å; S502-Y504 PolarHBondContact O-N 3.41Å
505	A	34	Very low	33.5	Very low	31 Å²	31	94.2 Å²	94.2	26%	0.256	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-29	176.6	0	0	0	0	0	112.9	V148 L501 S502 Q507	V148-A505 HydrophobicContact CG1-CB 3.69Å; V148-A505 HydrophobicContact CG2-CB 4.16Å; L501-A505 PolarHBondContact O-N 2.94Å; S502-A505 WeakPolarHBondContact O-CB 3.36Å; S502-A505 PolarHBondContact O-N 2.9Å; A505-Q507 PolarHBondContact O-N 2.91Å
506	A	33.2	Very low	33	Very low	85 Å²	85	92.8 Å²	92.8	70%	0.702	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	4.9	-172.8	0	0	0	0	0	116	S502	S502-A506 PolarHBondContact O-N 2.83Å
507	Q	32.1	Very low	32.3	Very low	137 Å²	137	96.9 Å²	96.9	64%	0.64	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-1.8	-178.9	-60.7	-161	-40.6	0	0	114.6	A505	A505-Q507 PolarHBondContact O-N 2.91Å
508	D	26	Very low	31.6	Very low	138 Å²	138	100.7 Å²	100.7	74%	0.738	61%	0.607	S	S	*	*	S	Bend	trans	-124.4	2.6	-173.6	-92	-31.9	0	0	0	115.4
509	E	25.7	Very low	30.8	Very low	148 Å²	148	100.2 Å²	100.2	69%	0.692	63%	0.627	S	S	*	*			trans	-104.6	128.3	-179.2	-91.2	-69.4	145.2	0	0	113.1
510	P	24.7	Very low	30	Very low	106 Å²	106	107 Å²	107	69%	0.688	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-83.7	127.5	167.5	32.8	-30.1	0	0	0	111.1	A512	P510-A512 PolarHBondContact O-N 2.84Å
511	S	23.9	Very low	29.3	Very low	126 Å²	126	112 Å²	112	88%	0.881	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-46.4	120.1	-170.9	-47.3	0	0	0	0	115.6
512	A	26	Very low	28.7	Very low	96 Å²	96	117 Å²	117	79%	0.793	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-85.3	133.6	169.6	0	0	0	0	0	111.5	P510	P510-A512 PolarHBondContact O-N 2.84Å
513	V	25.3	Very low	28	Very low	141 Å²	141	120.5 Å²	120.5	86%	0.855	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-91.8	132.9	174.3	177.4	0	0	0	0	109.4
514	Q	26.4	Very low	27.3	Very low	182 Å²	182	119.2 Å²	119.2	85%	0.85	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-79.3	149.9	178	-74.9	-170.6	-16.3	0	0	112.8
515	P	25.1	Very low	27	Very low	128 Å²	128	119.5 Å²	119.5	83%	0.831	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-84.1	130.6	179.4	33.2	-33.2	0	0	0	112.6
516	G	28	Very low	26.5	Very low	82 Å²	82	123 Å²	123	85%	0.845	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-92.2	139.8	169.4	0	0	0	0	0	112.1
517	S	23.3	Very low	26.3	Very low	107 Å²	107	124.1 Å²	124.1	75%	0.748	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-94.4	134.7	-169.8	53.6	0	0	0	0	114.9
518	T	23.3	Very low	25.8	Very low	128 Å²	128	123.6 Å²	123.6	79%	0.785	77%	0.77	S	S	*	*			trans	44.8	114.2	142.1	58.8	0	0	0	0	120.5
519	G	26.8	Very low	25.6	Very low	79 Å²	79	125 Å²	125	81%	0.814	78%	0.775	S	S	*	*			trans	-125.3	123.7	150.7	0	0	0	0	0	109.9
520	Y	23.2	Very low	25.5	Very low	196 Å²	196	126.5 Å²	126.5	77%	0.769	78%	0.782	S	S	*	*			trans	-74.6	144.3	-179.4	-75.8	-106	0	0	0	112.5
521	V	28.1	Very low	25.4	Very low	143 Å²	143	127.5 Å²	127.5	87%	0.867	79%	0.785	S	S	*	*				-149.5	136.4	120	-153.6	0	0	0	0	109.4
522	N	27.9	Very low	25.3	Very low	117 Å²	117	126.3 Å²	126.3	63%	0.626	78%	0.777	S	S	*	*			trans	-87.2	-179.1	170.5	-46	-15.3	0	0	0	109.4
523	D	26.1	Very low	25.2	Very low	140 Å²	140	130.4 Å²	130.4	75%	0.749	78%	0.777	S	S	*	*			cis	-160.6	167.4	0.3	-139.5	-36.1	0	0	0	110.6
524	A	26.3	Very low	25.1	Very low	76 Å²	76	130.7 Å²	130.7	63%	0.628	77%	0.774	S	S	*	*			trans	36.3	145	151.2	0	0	0	0	0	122.2
525	T	30.5	Very low	25.1	Very low	124 Å²	124	127 Å²	127	76%	0.761	76%	0.764	S	S	*	*			cis	-162.4	140	38.2	-43.6	0	0	0	0	113.1
526	S	25.2	Very low	25	Very low	105 Å²	105	127.4 Å²	127.4	73%	0.734	76%	0.764	S	S	*	*			trans	17.6	142	154.6	-44.6	0	0	0	0	121.9
527	S	28.2	Very low	24.9	Very low	108 Å²	108	131.2 Å²	131.2	76%	0.755	76%	0.764	S	S	*	*			cis	-166.5	134.6	48.8	-51.5	0	0	0	0	116.1
528	T	22.5	Very low	25	Very low	125 Å²	125	130 Å²	130	77%	0.767	76%	0.755	S	S	*	*			trans	51.7	105.9	136.6	-37.3	0	0	0	0	124.4
529	M	21.2	Very low	25.2	Very low	169 Å²	169	130.6 Å²	130.6	83%	0.833	76%	0.759	S	S	*	*			trans	58.4	109	142.8	-60.6	-177	78	0	0	123.4
530	Q	23	Very low	25.5	Very low	179 Å²	179	133 Å²	133	84%	0.836	75%	0.749	S	S	*	*				-175.4	132.9	98.9	-99.1	-168	-10.1	0	0	114.4
531	V	22.6	Very low	26.1	Very low	126 Å²	126	128.2 Å²	128.2	76%	0.764	74%	0.744	S	S	*	*			trans	40.7	92.8	143.1	-169.3	0	0	0	0	120.1
532	S	21.4	Very low	26.7	Very low	101 Å²	101	126.2 Å²	126.2	71%	0.706	74%	0.743	S	S	*	*				152.1	140.2	124.7	-75.3	0	0	0	0	114.5
533	K	23.7	Very low	27.5	Very low	183 Å²	183	125.1 Å²	125.1	80%	0.796	73%	0.731	S	S	*	*			trans	45.7	107.2	153.6	-62.6	176.3	179.6	176.8	0	117.9
534	N	24.4	Very low	29	Very low	147 Å²	147	125.5 Å²	125.5	79%	0.786	73%	0.728	S	S	*	*				-174.7	133.3	101.8	-92.9	-19.7	0	0	0	115
535	V	26.1	Very low	31.3	Very low	105 Å²	105	125.1 Å²	125.1	64%	0.636	72%	0.715	S	S	*	*			trans	45.3	93.8	135.4	-167.5	0	0	0	0	118.3	L537	V535-L537 HydrophobicContact CG1-CB 4.12Å; V535-L537 HydrophobicContact CG1-CD1 3.76Å; V535-L537 HydrophobicContact CG1-CG 3.68Å; V535-L537 PolarHBondContact O-N 2.83Å; V535-L537 VanDerWaalsContact O-N 3.16Å
536	T	23.9	Very low	33.9	Very low	136 Å²	136	120.2 Å²	120.2	83%	0.834	69%	0.685	S	S	*	*			trans	-76.4	90.9	153.5	-42.1	0	0	0	0	109.3	S538	T536-S538 PolarHBondContact O-N 3.43Å; T536-S538 VanDerWaalsContact O-N 3.14Å
537	L	24.9	Very low	37.1	Very low	161 Å²	161	115.2 Å²	115.2	84%	0.843	65%	0.65	S	S	*	*			trans	-75	95.4	172	-110.1	153.9	0	0	0	109.3	V535	V535-L537 HydrophobicContact CG1-CB 4.12Å; V535-L537 HydrophobicContact CG1-CD1 3.76Å; V535-L537 HydrophobicContact CG1-CG 3.68Å; V535-L537 PolarHBondContact O-N 2.83Å; V535-L537 VanDerWaalsContact O-N 3.16Å
538	S	26.1	Very low	40	Very low	82 Å²	82	116.2 Å²	116.2	57%	0.573	65%	0.647	S	S	*	*			trans	-122.6	101.4	171.3	58.3	0	0	0	0	110.8	T536 Q540	T536-S538 PolarHBondContact O-N 3.43Å; T536-S538 VanDerWaalsContact O-N 3.14Å; S538-Q540 PolarHBondContact O-N 3.25Å
539	T	28	Very low	43	Very low	141 Å²	141	113.3 Å²	113.3	87%	0.865	64%	0.642	S	S	*	*			trans	43.1	64	156.6	55.3	0	0	0	0	116.8
540	Q	31.4	Very low	46.4	Very low	130 Å²	130	105.7 Å²	105.7	61%	0.607	61%	0.605	S	S	*	*			trans	-83.3	106.3	156.1	-83.8	-174.2	-33	0	0	109.6	S538 A542	S538-Q540 PolarHBondContact O-N 3.25Å; Q540-A542 PolarHBondContact O-N 2.79Å
541	S	35.9	Very low	49.8	Very low	94 Å²	94	98.6 Å²	98.6	66%	0.657	58%	0.575	S	S	*	*			trans	-75.7	103	170.7	58	0	0	0	0	110.8	Y543	S541-Y543 VanDerWaalsContact C-N 3.29Å; S541-Y543 WeakPolarHBondContact O-CD2 3.21Å; S541-Y543 PolarHBondContact O-N 2.97Å
542	A	41.5	Very low	53.2	Low	102 Å²	102	92.6 Å²	92.6	84%	0.843	54%	0.539	S	S	*	.	S	Bend	trans	45.7	33.2	151.1	0	0	0	0	0	119.1	Q540	Q540-A542 PolarHBondContact O-N 2.79Å
543	Y	44	Very low	56.5	Low	94 Å²	94	92.5 Å²	92.5	37%	0.369	52%	0.523	S	S	.	.			trans	-93.5	122.2	152.3	-64.9	-80.9	0	0	0	106.5	S541 R571 L612	S541-Y543 VanDerWaalsContact C-N 3.29Å; S541-Y543 WeakPolarHBondContact O-CD2 3.21Å; S541-Y543 PolarHBondContact O-N 2.97Å; Y543-R571 WeakPolarHBondContact CB-O 3.42Å; Y543-R571 HydrophobicContact CD1-CG 4.43Å; Y543-R571 HydrophobicContact CD2-CG 3.57Å; Y543-R571 HydrophobicContact CE1-CG 4.46Å; Y543-R571 HydrophobicContact CE2-CG 3.6Å; Y543-R571 HydrophobicContact CG-CG 4.02Å; Y543-L612 HydrophobicContact CE1-CD1 4.5Å
544	E	57.7	Low	59.8	Low	148 Å²	148	84.6 Å²	84.6	69%	0.692	49%	0.489	S	S	*	.			trans	-55.4	144.2	161.5	-66.8	-176.1	134.8	0	0	107.7	V546	E544-V546 WeakPolarHBondContact O-CG2 3.35Å; E544-V546 PolarHBondContact O-N 3.15Å
545	N	75.1	Confident	62.7	Low	68 Å²	68	79.4 Å²	79.4	36%	0.364	46%	0.461	S	S	.	.			trans	-75.5	71.6	-179.2	-73.1	-64.2	0	0	0	110	F547 N548 L572 G573	N545-F547 PolarHBondContact O-N 3.02Å; N545-F547 VanDerWaalsContact O-N 3.14Å; N545-N548 HydrophobicContact CB-CB 3.82Å; N545-N548 WeakPolarHBondContact O-CB 3.33Å; N545-N548 PolarHBondContact O-N 2.7Å; N545-L572 CarbonylContact C-O 3.59Å; N545-G573 WeakPolarHBondContact OD1-CA 3.38Å
546	V	85.8	Confident	65.3	Low	21 Å²	21	76.7 Å²	76.7	13%	0.127	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-35.1	-177.9	178.6	0	0	0	0	111.8	E544 L572 N615 S616 I617	E544-V546 WeakPolarHBondContact O-CG2 3.35Å; E544-V546 PolarHBondContact O-N 3.15Å; V546-L572 HydrophobicContact CB-CB 4.42Å; V546-L572 HydrophobicContact CB-CD2 3.91Å; V546-L572 HydrophobicContact CG2-CD2 3.81Å; V546-L572 PolarHBondContact N-O 3.21Å; V546-L572 VanDerWaalsContact N-O 3.14Å; V546-N615 VanDerWaalsContact CG2-C 3.43Å; V546-N615 WeakPolarHBondContact CG2-O 3.47Å; V546-S616 VanDerWaalsContact CG1-C 3.41Å; V546-I617 HydrophobicContact CG1-CB 4.49Å; V546-I617 HydrophobicContact CG1-CG1 3.6Å; V546-I617 VanDerWaalsContact O-CD1 3.3Å; V546-I617 WeakPolarHBondContact O-CD1 3.34Å; V546-I617 WeakPolarHBondContact O-CG1 3.39Å
547	F	91.6	Very high	68.2	Low	0 Å²	0	72 Å²	72	0%	0	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	24.3	178	-67.4	-21.1	0	0	0	113.1	N545 G549 V550 F552 L572 W607 I608 C611 I617	N545-F547 PolarHBondContact O-N 3.02Å; N545-F547 VanDerWaalsContact O-N 3.14Å; F547-G549 PolarHBondContact O-N 3.02Å; F547-V550 HydrophobicContact CB-CB 4.08Å; F547-V550 HydrophobicContact CB-CG2 4.38Å; F547-V550 VanDerWaalsContact O-CB 3.26Å; F547-V550 WeakPolarHBondContact O-CB 3.39Å; F547-V550 PolarHBondContact O-N 2.93Å; F547-F552 HydrophobicContact CB-CE2 4.1Å; F547-F552 HydrophobicContact CD1-CZ 4.24Å; F547-F552 AromaticContact CD2-CE2 3.63Å; F547-F552 HydrophobicContact CD2-CE2 3.63Å; F547-F552 AromaticContact CD2-CZ 3.62Å; F547-F552 HydrophobicContact CD2-CZ 3.62Å; F547-F552 HydrophobicContact CE1-CZ 4.29Å; F547-F552 HydrophobicContact CE2-CE2 4.14Å; F547-F552 AromaticContact CE2-CZ 3.67Å; F547-F552 HydrophobicContact CE2-CZ 3.67Å; F547-F552 AromaticContact CG-CE2 3.89Å; F547-F552 HydrophobicContact CG-CE2 3.89Å; F547-F552 AromaticContact CG-CZ 3.92Å; F547-F552 HydrophobicContact CG-CZ 3.92Å; F547-F552 HydrophobicContact CZ-CZ 4.01Å; F547-L572 HydrophobicContact CB-CB 4.24Å; F547-L572 WeakPolarHBondContact CB-O 3.44Å; F547-L572 HydrophobicContact CD2-CB 3.51Å; F547-L572 HydrophobicContact CD2-CD1 3.81Å; F547-L572 HydrophobicContact CD2-CG 4.33Å; F547-L572 HydrophobicContact CE2-CB 4.06Å; F547-L572 HydrophobicContact CE2-CD1 3.41Å; F547-L572 VanDerWaalsContact CE2-CD1 3.41Å; F547-L572 HydrophobicContact CE2-CG 4.39Å; F547-L572 HydrophobicContact CG-CB 3.96Å; F547-L572 HydrophobicContact CZ-CD1 3.92Å; F547-L572 PolarHBondContact N-O 3.26Å; F547-W607 AromaticContact CE1-CH2 3.82Å; F547-W607 HydrophobicContact CE1-CH2 3.82Å; F547-W607 HydrophobicContact CE1-CZ2 4.47Å; F547-W607 HydrophobicContact CE1-CZ3 4.05Å; F547-W607 HydrophobicContact CZ-CE3 4.43Å; F547-W607 HydrophobicContact CZ-CH2 4.11Å; F547-W607 AromaticContact CZ-CZ3 3.86Å; F547-W607 HydrophobicContact CZ-CZ3 3.86Å; F547-I608 HydrophobicContact CE2-CD1 3.88Å; F547-I608 HydrophobicContact CZ-CD1 4.01Å; F547-C611 HydrophobicContact CE1-CB 4.02Å; F547-C611 HydrophobicContact CZ-CB 3.66Å; F547-I617 HydrophobicContact CD1-CD1 4.46Å; F547-I617 HydrophobicContact CD1-CG1 4.17Å; F547-I617 HydrophobicContact CE1-CG1 4.23Å
548	N	88.4	Confident	70.7	Confident	128 Å²	128	66.7 Å²	66.7	68%	0.684	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	127.9	177.4	-166.7	11.6	0	0	0	111.4	N545 V550	N545-N548 HydrophobicContact CB-CB 3.82Å; N545-N548 WeakPolarHBondContact O-CB 3.33Å; N545-N548 PolarHBondContact O-N 2.7Å; N548-V550 PolarHBondContact O-N 3.3Å
549	G	86.3	Confident	73.2	Confident	64 Å²	64	67.7 Å²	67.7	66%	0.66	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	3.9	-176.3	0	0	0	0	0	115.4	F547	F547-G549 PolarHBondContact O-N 3.02Å
550	V	93.1	Very high	75.6	Confident	10 Å²	10	61.8 Å²	61.8	6%	0.061	37%	0.368	C	S	.	.			trans	-90.4	124.4	177.8	-177.8	0	0	0	0	110	F547 N548 F552 I575 K582 Y583	F547-V550 HydrophobicContact CB-CB 4.08Å; F547-V550 HydrophobicContact CB-CG2 4.38Å; F547-V550 VanDerWaalsContact O-CB 3.26Å; F547-V550 WeakPolarHBondContact O-CB 3.39Å; F547-V550 PolarHBondContact O-N 2.93Å; N548-V550 PolarHBondContact O-N 3.3Å; V550-F552 HydrophobicContact CB-CE2 3.98Å; V550-F552 HydrophobicContact CB-CZ 4.48Å; V550-F552 HydrophobicContact CG1-CD2 4.13Å; V550-F552 HydrophobicContact CG1-CE1 4.39Å; V550-F552 HydrophobicContact CG1-CE2 3.4Å; V550-F552 VanDerWaalsContact CG1-CE2 3.4Å; V550-F552 HydrophobicContact CG1-CZ 3.56Å; V550-I575 PolarHBondContact O-N 3.2Å; V550-K582 HydrophobicContact CG1-CD 4.32Å; V550-Y583 HydrophobicContact CG1-CD2 3.4Å; V550-Y583 VanDerWaalsContact CG1-CD2 3.4Å; V550-Y583 HydrophobicContact CG1-CE2 3.5Å
551	S	93.3	Very high	78	Confident	30 Å²	30	57 Å²	57	21%	0.21	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.8	178.6	62.7	0	0	0	0	112.7	I575 P581 K582 Y583	S551-I575 CarbonylContact C-O 3.53Å; S551-I575 WeakPolarHBondContact CA-O 3.21Å; S551-P581 WeakPolarHBondContact OG-CA 3.47Å; S551-K582 PolarHBondContact O-N 3.49Å; S551-K582 PolarHBondContact OG-N 2.62Å; S551-Y583 PolarHBondContact O-N 2.88Å
552	F	94.8	Very high	80.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147	-174.4	-69.5	-86.5	0	0	0	111.7	F547 V550 I569 I575 I576 T577 Y583 V585 W607 I608	F547-F552 HydrophobicContact CB-CE2 4.1Å; F547-F552 HydrophobicContact CD1-CZ 4.24Å; F547-F552 AromaticContact CD2-CE2 3.63Å; F547-F552 HydrophobicContact CD2-CE2 3.63Å; F547-F552 AromaticContact CD2-CZ 3.62Å; F547-F552 HydrophobicContact CD2-CZ 3.62Å; F547-F552 HydrophobicContact CE1-CZ 4.29Å; F547-F552 HydrophobicContact CE2-CE2 4.14Å; F547-F552 AromaticContact CE2-CZ 3.67Å; F547-F552 HydrophobicContact CE2-CZ 3.67Å; F547-F552 AromaticContact CG-CE2 3.89Å; F547-F552 HydrophobicContact CG-CE2 3.89Å; F547-F552 AromaticContact CG-CZ 3.92Å; F547-F552 HydrophobicContact CG-CZ 3.92Å; F547-F552 HydrophobicContact CZ-CZ 4.01Å; V550-F552 HydrophobicContact CB-CE2 3.98Å; V550-F552 HydrophobicContact CB-CZ 4.48Å; V550-F552 HydrophobicContact CG1-CD2 4.13Å; V550-F552 HydrophobicContact CG1-CE1 4.39Å; V550-F552 HydrophobicContact CG1-CE2 3.4Å; V550-F552 VanDerWaalsContact CG1-CE2 3.4Å; V550-F552 HydrophobicContact CG1-CZ 3.56Å; F552-I569 HydrophobicContact CB-CD1 4.19Å; F552-I569 HydrophobicContact CB-CG2 4.4Å; F552-I569 HydrophobicContact CD1-CD1 4.14Å; F552-I569 HydrophobicContact CD2-CG2 3.43Å; F552-I569 VanDerWaalsContact CD2-CG2 3.43Å; F552-I569 HydrophobicContact CE2-CG2 3.81Å; F552-I569 HydrophobicContact CG-CD1 4.04Å; F552-I569 HydrophobicContact CG-CG2 3.98Å; F552-I575 PolarHBondContact N-O 3.42Å; F552-I576 CarbonylContact O-C 3.55Å; F552-I576 WeakPolarHBondContact O-CA 3.46Å; F552-T577 PolarHBondContact O-N 3.11Å; F552-Y583 WeakPolarHBondContact CA-O 3.41Å; F552-Y583 HydrophobicContact CD1-CD2 4.37Å; F552-Y583 AromaticContact CE1-CD2 3.7Å; F552-Y583 HydrophobicContact CE1-CD2 3.7Å; F552-Y583 HydrophobicContact CE1-CG 4.1Å; F552-Y583 AromaticContact CZ-CD2 3.93Å; F552-Y583 HydrophobicContact CZ-CD2 3.93Å; F552-V585 HydrophobicContact CD1-CG2 3.71Å; F552-V585 HydrophobicContact CE1-CG2 4.45Å; F552-W607 AromaticContact CE1-CZ3 3.94Å; F552-W607 HydrophobicContact CE1-CZ3 3.94Å; F552-W607 HydrophobicContact CZ-CZ3 4.15Å; F552-I608 HydrophobicContact CD1-CD1 4.36Å; F552-I608 HydrophobicContact CE1-CD1 3.66Å; F552-I608 HydrophobicContact CZ-CD1 4.13Å
553	R	90.9	Very high	82.4	Confident	98 Å²	98	55.5 Å²	55.5	37%	0.37	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139	162.2	-174	176.9	-179.7	-169.6	1.3	108.4	L555 T577 P578 P581 Y583 L584 V585	R553-L555 HydrophobicContact CG-CG 4.49Å; R553-T577 WeakPolarHBondContact CB-O 3.41Å; R553-P578 PolarHBondContact NE-O 2.98Å; R553-P581 HydrophobicContact CB-CB 3.7Å; R553-P581 HydrophobicContact CB-CG 3.6Å; R553-Y583 PolarHBondContact N-O 3.03Å; R553-L584 HydrophobicContact CB-CD1 3.83Å; R553-L584 HydrophobicContact CG-CD1 4.04Å; R553-V585 PolarHBondContact O-N 3.29Å
554	L	91.9	Very high	84.7	Confident	17 Å²	17	56 Å²	56	9%	0.089	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.4	-178	-61.4	86.5	0	0	0	108.8	F557 L565 I569 I576 V585	L554-F557 HydrophobicContact CB-CD2 4.17Å; L554-F557 HydrophobicContact CB-CE2 4.33Å; L554-L565 HydrophobicContact CD2-CB 3.39Å; L554-L565 HydrophobicContact CD2-CD1 4.16Å; L554-L565 HydrophobicContact CD2-CG 4.41Å; L554-I569 HydrophobicContact CD1-CD1 4.08Å; L554-I569 HydrophobicContact CD2-CD1 4.13Å; L554-I569 HydrophobicContact CG-CD1 4.33Å; L554-I576 HydrophobicContact CD1-CD1 4.46Å; L554-I576 HydrophobicContact CD1-CG1 4.14Å; L554-I576 HydrophobicContact CD1-CG2 3.86Å; L554-V585 WeakPolarHBondContact CA-O 3.31Å; L554-V585 HydrophobicContact CG-CB 4.1Å; L554-V585 HydrophobicContact CG-CG2 4.2Å
555	L	86.1	Confident	86.3	Confident	39 Å²	39	49.2 Å²	49.2	20%	0.204	29%	0.286	C	S	.	.			trans	-135.3	148.8	177.7	-61.6	179.2	0	0	0	111	R553 F557 L584 V585 T586 P587 L592 A594	R553-L555 HydrophobicContact CG-CG 4.49Å; L555-F557 WeakPolarHBondContact O-CD2 3.26Å; L555-F557 WeakPolarHBondContact O-CE2 3.31Å; L555-L584 HydrophobicContact CD1-CD1 3.81Å; L555-L584 HydrophobicContact CD1-CD2 4.37Å; L555-L584 HydrophobicContact CG-CD1 4.02Å; L555-V585 PolarHBondContact N-O 2.93Å; L555-T586 HydrophobicContact CB-CG2 4.26Å; L555-P587 WeakPolarHBondContact O-CD 3.36Å; L555-L592 HydrophobicContact CB-CD1 3.72Å; L555-A594 HydrophobicContact CD1-CB 4.01Å
556	G	80.9	Confident	87.2	Confident	47 Å²	47	46.9 Å²	46.9	49%	0.485	28%	0.276	S	S	.	.	S	Bend	trans	79.2	22.9	174	0	0	0	0	0	115.2	P587	G556-P587 WeakPolarHBondContact O-CG 3.18Å
557	F	84.6	Confident	87.6	Confident	38 Å²	38	51.3 Å²	51.3	17%	0.167	29%	0.293	C	S	.	.			trans	-118	149.4	176	-55.3	-66.6	0	0	0	111	L554 L555 T561 L562 L565 V585 P587 P605	L554-F557 HydrophobicContact CB-CD2 4.17Å; L554-F557 HydrophobicContact CB-CE2 4.33Å; L555-F557 WeakPolarHBondContact O-CD2 3.26Å; L555-F557 WeakPolarHBondContact O-CE2 3.31Å; F557-T561 HydrophobicContact CB-CG2 4.28Å; F557-T561 HydrophobicContact CD1-CG2 3.93Å; F557-T561 HydrophobicContact CG-CG2 4.3Å; F557-L562 HydrophobicContact CB-CB 4.27Å; F557-L565 HydrophobicContact CD1-CD1 4.21Å; F557-L565 HydrophobicContact CD2-CD1 3.99Å; F557-L565 HydrophobicContact CE1-CD1 4.05Å; F557-L565 HydrophobicContact CE2-CD1 3.8Å; F557-L565 HydrophobicContact CG-CD1 4.18Å; F557-L565 HydrophobicContact CZ-CD1 3.83Å; F557-V585 HydrophobicContact CE2-CB 4.26Å; F557-V585 HydrophobicContact CE2-CG1 3.95Å; F557-V585 WeakPolarHBondContact CE2-O 3.49Å; F557-V585 HydrophobicContact CZ-CG1 4.01Å; F557-P587 HydrophobicContact CD1-CG 4.14Å; F557-P587 HydrophobicContact CE1-CG 3.81Å; F557-P587 HydrophobicContact CZ-CG 4.42Å; F557-P605 HydrophobicContact CE1-CG 3.54Å; F557-P605 HydrophobicContact CZ-CG 3.53Å
558	N	78.2	Confident	87.7	Confident	49 Å²	49	51.9 Å²	51.9	26%	0.262	30%	0.296	S	S	.	.			trans	-72.3	161.3	167.5	60.1	12.2	0	0	0	111.5	N129 A560 T561 L562	N129-N558 PolarHBondContact OD1-ND2 3.11Å; N558-A560 VanDerWaalsContact C-N 3.3Å; N558-A560 PolarHBondContact O-N 3.48Å; N558-T561 PolarHBondContact O-N 3.37Å; N558-T561 WeakPolarHBondContact OD1-CB 3.48Å; N558-T561 PolarHBondContact OD1-N 2.69Å; N558-T561 VanDerWaalsContact OD1-N 3.12Å; N558-T561 PolarHBondContact OD1-OG1 2.88Å; N558-L562 WeakPolarHBondContact O-CB 3.39Å; N558-L562 PolarHBondContact O-N 3.23Å
559	S	78	Confident	88	Confident	103 Å²	103	45.8 Å²	45.8	72%	0.72	26%	0.263	S	S	*	.	H	α-helix	trans	-48.5	-47.4	-175.8	-179.3	0	0	0	0	113.2	T561 L562 E563	S559-T561 PolarHBondContact O-N 3.45Å; S559-L562 PolarHBondContact O-N 2.64Å; S559-E563 WeakPolarHBondContact O-CB 3.5Å; S559-E563 PolarHBondContact O-N 2.94Å
560	A	78.7	Confident	88.3	Confident	18 Å²	18	47.7 Å²	47.7	15%	0.149	26%	0.255	C	S	.	.	H	α-helix	trans	-68.8	-35	-177.6	0	0	0	0	0	113.4	R128 D132 N558 K564	R128-A560 PolarHBondContact NH1-O 2.9Å; R128-A560 VanDerWaalsContact NH2-C 3.25Å; R128-A560 PolarHBondContact NH2-O 2.78Å; D132-A560 WeakPolarHBondContact OD2-CB 3.46Å; N558-A560 VanDerWaalsContact C-N 3.3Å; N558-A560 PolarHBondContact O-N 3.48Å; A560-K564 PolarHBondContact O-N 2.84Å; A560-K564 VanDerWaalsContact O-N 3.16Å
561	T	80.9	Confident	88.2	Confident	29 Å²	29	53.2 Å²	53.2	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-75.5	-36.8	175.3	-58.8	0	0	0	0	111.5	R128 F557 N558 S559 K564 L565	R128-T561 VanDerWaalsContact NH1-CA 3.3Å; R128-T561 PolarHBondContact NH1-OG1 2.95Å; F557-T561 HydrophobicContact CB-CG2 4.28Å; F557-T561 HydrophobicContact CD1-CG2 3.93Å; F557-T561 HydrophobicContact CG-CG2 4.3Å; N558-T561 PolarHBondContact O-N 3.37Å; N558-T561 WeakPolarHBondContact OD1-CB 3.48Å; N558-T561 PolarHBondContact OD1-N 2.69Å; N558-T561 VanDerWaalsContact OD1-N 3.12Å; N558-T561 PolarHBondContact OD1-OG1 2.88Å; S559-T561 PolarHBondContact O-N 3.45Å; T561-K564 PolarHBondContact O-N 2.81Å; T561-L565 HydrophobicContact CG2-CD1 4Å; T561-L565 HydrophobicContact CG2-CG 4.46Å; T561-L565 WeakPolarHBondContact O-CB 3.44Å; T561-L565 WeakPolarHBondContact O-CG 3.17Å; T561-L565 PolarHBondContact O-N 3.31Å
562	L	82.4	Confident	88.2	Confident	66 Å²	66	51.8 Å²	51.8	35%	0.346	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-52.9	172.1	-166.1	149	0	0	0	110.2	F557 N558 S559 K564 L565 C566	F557-L562 HydrophobicContact CB-CB 4.27Å; N558-L562 WeakPolarHBondContact O-CB 3.39Å; N558-L562 PolarHBondContact O-N 3.23Å; S559-L562 PolarHBondContact O-N 2.64Å; L562-K564 VanDerWaalsContact C-N 3.32Å; L562-K564 PolarHBondContact O-N 2.74Å; L562-L565 PolarHBondContact O-N 2.94Å; L562-L565 VanDerWaalsContact O-N 3.16Å; L562-C566 VanDerWaalsContact CD2-SG 3.56Å; L562-C566 WeakPolarHBondContact O-CB 3.28Å; L562-C566 PolarHBondContact O-N 3.14Å; L562-C566 PolarHBondContact O-SG 3.23Å
563	E	88.6	Confident	88	Confident	98 Å²	98	52.5 Å²	52.5	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-54.1	-45	176.5	-169.1	-158.4	178.9	0	0	112.3	S559 C566 K567	S559-E563 WeakPolarHBondContact O-CB 3.5Å; S559-E563 PolarHBondContact O-N 2.94Å; E563-C566 PolarHBondContact O-N 3.14Å; E563-K567 WeakPolarHBondContact O-CG 2.89Å; E563-K567 PolarHBondContact O-N 3.45Å; E563-K567 VanDerWaalsContact OE1-CE 3.27Å; E563-K567 WeakPolarHBondContact OE1-CE 3.39Å; E563-K567 IonicContact OE1-NZ 3.82Å; E563-K567 PolarHBondContact OE1-NZ 3.03Å
564	K	90.6	Very high	88.2	Confident	105 Å²	105	48 Å²	48	46%	0.457	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-50	177	178.2	167.2	-179.2	165.4	0	111.7	A560 T561 L562 C566 K567 D568	A560-K564 PolarHBondContact O-N 2.84Å; A560-K564 VanDerWaalsContact O-N 3.16Å; T561-K564 PolarHBondContact O-N 2.81Å; L562-K564 VanDerWaalsContact C-N 3.32Å; L562-K564 PolarHBondContact O-N 2.74Å; K564-C566 VanDerWaalsContact C-N 3.28Å; K564-C566 PolarHBondContact O-N 2.76Å; K564-K567 PolarHBondContact O-N 2.93Å; K564-D568 WeakPolarHBondContact CE-OD2 3.34Å; K564-D568 WeakPolarHBondContact CG-OD2 3.36Å; K564-D568 WeakPolarHBondContact O-CB 3.4Å; K564-D568 VanDerWaalsContact O-CG 3.27Å; K564-D568 PolarHBondContact O-N 2.72Å
565	L	92.9	Very high	88.2	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-35	179.5	-72.7	170.1	0	0	0	111.8	L554 F557 T561 L562 D568 I569 P605 I608	L554-L565 HydrophobicContact CD2-CB 3.39Å; L554-L565 HydrophobicContact CD2-CD1 4.16Å; L554-L565 HydrophobicContact CD2-CG 4.41Å; F557-L565 HydrophobicContact CD1-CD1 4.21Å; F557-L565 HydrophobicContact CD2-CD1 3.99Å; F557-L565 HydrophobicContact CE1-CD1 4.05Å; F557-L565 HydrophobicContact CE2-CD1 3.8Å; F557-L565 HydrophobicContact CG-CD1 4.18Å; F557-L565 HydrophobicContact CZ-CD1 3.83Å; T561-L565 HydrophobicContact CG2-CD1 4Å; T561-L565 HydrophobicContact CG2-CG 4.46Å; T561-L565 WeakPolarHBondContact O-CB 3.44Å; T561-L565 WeakPolarHBondContact O-CG 3.17Å; T561-L565 PolarHBondContact O-N 3.31Å; L562-L565 PolarHBondContact O-N 2.94Å; L562-L565 VanDerWaalsContact O-N 3.16Å; L565-D568 PolarHBondContact O-N 3.46Å; L565-I569 WeakPolarHBondContact O-CB 3.1Å; L565-I569 WeakPolarHBondContact O-CD1 3.24Å; L565-I569 WeakPolarHBondContact O-CG1 3.22Å; L565-I569 PolarHBondContact O-N 3.44Å; L565-P605 HydrophobicContact CD1-CB 4.37Å; L565-P605 HydrophobicContact CD1-CG 4.1Å; L565-P605 HydrophobicContact CD2-CB 4.06Å; L565-I608 HydrophobicContact CD2-CB 4.5Å; L565-I608 HydrophobicContact CD2-CG2 4.39Å
566	C	93.5	Very high	88.5	Confident	20 Å²	20	53.3 Å²	53.3	14%	0.135	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-48.1	173.1	-67.4	0	0	0	0	111.3	L562 E563 K564 I569 Q570 I576	L562-C566 VanDerWaalsContact CD2-SG 3.56Å; L562-C566 WeakPolarHBondContact O-CB 3.28Å; L562-C566 PolarHBondContact O-N 3.14Å; L562-C566 PolarHBondContact O-SG 3.23Å; E563-C566 PolarHBondContact O-N 3.14Å; K564-C566 VanDerWaalsContact C-N 3.28Å; K564-C566 PolarHBondContact O-N 2.76Å; C566-I569 PolarHBondContact O-N 3.22Å; C566-Q570 VanDerWaalsContact O-CB 3.3Å; C566-Q570 WeakPolarHBondContact O-CB 3.5Å; C566-Q570 WeakPolarHBondContact O-CG 3.35Å; C566-Q570 PolarHBondContact O-N 3.2Å; C566-I576 HydrophobicContact CB-CD1 3.54Å; C566-I576 VanDerWaalsContact SG-CD1 3.54Å
567	K	93.3	Very high	88.8	Confident	113 Å²	113	52.7 Å²	52.7	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-42.5	176	-70.9	175	-174.7	174.8	0	112.3	E563 K564 Q570 R571	E563-K567 WeakPolarHBondContact O-CG 2.89Å; E563-K567 PolarHBondContact O-N 3.45Å; E563-K567 VanDerWaalsContact OE1-CE 3.27Å; E563-K567 WeakPolarHBondContact OE1-CE 3.39Å; E563-K567 IonicContact OE1-NZ 3.82Å; E563-K567 PolarHBondContact OE1-NZ 3.03Å; K564-K567 PolarHBondContact O-N 2.93Å; K567-Q570 PolarHBondContact O-N 3.3Å; K567-R571 VanDerWaalsContact O-CB 3.23Å; K567-R571 WeakPolarHBondContact O-CB 3.46Å; K567-R571 PolarHBondContact O-N 2.95Å
568	D	93.8	Very high	88.6	Confident	12 Å²	12	55.6 Å²	55.6	6%	0.064	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-40.8	178.4	-68.7	-19.7	0	0	0	111.2	K564 L565 I608 L612	K564-D568 WeakPolarHBondContact CE-OD2 3.34Å; K564-D568 WeakPolarHBondContact CG-OD2 3.36Å; K564-D568 WeakPolarHBondContact O-CB 3.4Å; K564-D568 VanDerWaalsContact O-CG 3.27Å; K564-D568 PolarHBondContact O-N 2.72Å; L565-D568 PolarHBondContact O-N 3.46Å; D568-I608 HydrophobicContact CB-CG2 4.17Å; D568-L612 HydrophobicContact CB-CD2 4.06Å
569	I	94.5	Very high	88.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.4	-46.5	175.4	-71.7	164.8	0	0	0	111.7	F552 L554 L565 C566 R571 L572 G573 G574 I576 V585 I608	F552-I569 HydrophobicContact CB-CD1 4.19Å; F552-I569 HydrophobicContact CB-CG2 4.4Å; F552-I569 HydrophobicContact CD1-CD1 4.14Å; F552-I569 HydrophobicContact CD2-CG2 3.43Å; F552-I569 VanDerWaalsContact CD2-CG2 3.43Å; F552-I569 HydrophobicContact CE2-CG2 3.81Å; F552-I569 HydrophobicContact CG-CD1 4.04Å; F552-I569 HydrophobicContact CG-CG2 3.98Å; L554-I569 HydrophobicContact CD1-CD1 4.08Å; L554-I569 HydrophobicContact CD2-CD1 4.13Å; L554-I569 HydrophobicContact CG-CD1 4.33Å; L565-I569 WeakPolarHBondContact O-CB 3.1Å; L565-I569 WeakPolarHBondContact O-CD1 3.24Å; L565-I569 WeakPolarHBondContact O-CG1 3.22Å; L565-I569 PolarHBondContact O-N 3.44Å; C566-I569 PolarHBondContact O-N 3.22Å; I569-R571 VanDerWaalsContact C-N 3.32Å; I569-R571 PolarHBondContact O-N 3.35Å; I569-L572 PolarHBondContact O-N 3.46Å; I569-L572 VanDerWaalsContact O-N 3.15Å; I569-G573 PolarHBondContact O-N 3.26Å; I569-G574 PolarHBondContact O-N 3.22Å; I569-I576 HydrophobicContact CG2-CG1 4.36Å; I569-V585 HydrophobicContact CD1-CG2 4.22Å; I569-I608 HydrophobicContact CD1-CD1 4.37Å; I569-I608 HydrophobicContact CG1-CD1 4.07Å; I569-I608 HydrophobicContact CG1-CG2 3.96Å
570	Q	93	Very high	89	Confident	105 Å²	105	63.4 Å²	63.4	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-64.3	-36.2	179.6	-75.2	170	-22.3	0	0	112.1	C566 K567 L572 G573 I576	C566-Q570 VanDerWaalsContact O-CB 3.3Å; C566-Q570 WeakPolarHBondContact O-CB 3.5Å; C566-Q570 WeakPolarHBondContact O-CG 3.35Å; C566-Q570 PolarHBondContact O-N 3.2Å; K567-Q570 PolarHBondContact O-N 3.3Å; Q570-L572 PolarHBondContact O-N 2.91Å; Q570-G573 PolarHBondContact O-N 2.8Å; Q570-I576 HydrophobicContact CG-CD1 4.26Å
571	R	91.4	Very high	89.5	Confident	125 Å²	125	63.2 Å²	63.2	47%	0.472	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-29.4	174.4	177.1	176	-80.9	167.8	-7.4	112.8	Y543 K567 I569 L612	Y543-R571 WeakPolarHBondContact CB-O 3.42Å; Y543-R571 HydrophobicContact CD1-CG 4.43Å; Y543-R571 HydrophobicContact CD2-CG 3.57Å; Y543-R571 HydrophobicContact CE1-CG 4.46Å; Y543-R571 HydrophobicContact CE2-CG 3.6Å; Y543-R571 HydrophobicContact CG-CG 4.02Å; K567-R571 VanDerWaalsContact O-CB 3.23Å; K567-R571 WeakPolarHBondContact O-CB 3.46Å; K567-R571 PolarHBondContact O-N 2.95Å; I569-R571 VanDerWaalsContact C-N 3.32Å; I569-R571 PolarHBondContact O-N 3.35Å; R571-L612 HydrophobicContact CG-CD1 4.13Å
572	L	92.3	Very high	90	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	3.8	174.4	-68.7	167.3	0	0	0	113.3	N545 V546 F547 I569 Q570 C611 L612	N545-L572 CarbonylContact C-O 3.59Å; V546-L572 HydrophobicContact CB-CB 4.42Å; V546-L572 HydrophobicContact CB-CD2 3.91Å; V546-L572 HydrophobicContact CG2-CD2 3.81Å; V546-L572 PolarHBondContact N-O 3.21Å; V546-L572 VanDerWaalsContact N-O 3.14Å; F547-L572 HydrophobicContact CB-CB 4.24Å; F547-L572 WeakPolarHBondContact CB-O 3.44Å; F547-L572 HydrophobicContact CD2-CB 3.51Å; F547-L572 HydrophobicContact CD2-CD1 3.81Å; F547-L572 HydrophobicContact CD2-CG 4.33Å; F547-L572 HydrophobicContact CE2-CB 4.06Å; F547-L572 HydrophobicContact CE2-CD1 3.41Å; F547-L572 VanDerWaalsContact CE2-CD1 3.41Å; F547-L572 HydrophobicContact CE2-CG 4.39Å; F547-L572 HydrophobicContact CG-CB 3.96Å; F547-L572 HydrophobicContact CZ-CD1 3.92Å; F547-L572 PolarHBondContact N-O 3.26Å; I569-L572 PolarHBondContact O-N 3.46Å; I569-L572 VanDerWaalsContact O-N 3.15Å; Q570-L572 PolarHBondContact O-N 2.91Å; L572-C611 HydrophobicContact CD1-CB 4.23Å; L572-L612 HydrophobicContact CD1-CB 4.01Å; L572-L612 HydrophobicContact CD1-CD1 4.19Å; L572-L612 HydrophobicContact CD2-CD1 4.12Å; L572-L612 HydrophobicContact CG-CD1 3.94Å
573	G	91.9	Very high	90.6	Very high	15 Å²	15	64.6 Å²	64.6	16%	0.155	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	10.8	-179.3	0	0	0	0	0	115.3	N545 I569 Q570	N545-G573 WeakPolarHBondContact OD1-CA 3.38Å; I569-G573 PolarHBondContact O-N 3.26Å; Q570-G573 PolarHBondContact O-N 2.8Å
574	G	93.7	Very high	90.8	Very high	5 Å²	5	60.5 Å²	60.5	5%	0.052	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-80	146.9	178.6	0	0	0	0	0	113.3	I569	I569-G574 PolarHBondContact O-N 3.22Å
575	I	92.9	Very high	90.9	Very high	103 Å²	103	55.5 Å²	55.5	53%	0.528	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.6	-177.6	-60.3	171.6	0	0	0	110.1	V550 S551 F552	V550-I575 PolarHBondContact O-N 3.2Å; S551-I575 CarbonylContact C-O 3.53Å; S551-I575 WeakPolarHBondContact CA-O 3.21Å; F552-I575 PolarHBondContact N-O 3.42Å
576	I	92.2	Very high	90.9	Very high	63 Å²	63	55.2 Å²	55.2	32%	0.323	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.9	177.3	-57.3	159.1	0	0	0	109.1	F552 L554 C566 I569 Q570	F552-I576 CarbonylContact O-C 3.55Å; F552-I576 WeakPolarHBondContact O-CA 3.46Å; L554-I576 HydrophobicContact CD1-CD1 4.46Å; L554-I576 HydrophobicContact CD1-CG1 4.14Å; L554-I576 HydrophobicContact CD1-CG2 3.86Å; C566-I576 HydrophobicContact CB-CD1 3.54Å; C566-I576 VanDerWaalsContact SG-CD1 3.54Å; I569-I576 HydrophobicContact CG2-CG1 4.36Å; Q570-I576 HydrophobicContact CG-CD1 4.26Å
577	T	88.2	Confident	90.7	Very high	34 Å²	34	56.1 Å²	56.1	21%	0.209	28%	0.281	C	S	.	.			trans	-134.3	140.9	-176.6	179.3	0	0	0	0	112.2	F552 R553 K579 P581	F552-T577 PolarHBondContact O-N 3.11Å; R553-T577 WeakPolarHBondContact CB-O 3.41Å; T577-K579 VanDerWaalsContact C-N 3.33Å; T577-K579 WeakPolarHBondContact CG2-O 3.28Å; T577-K579 PolarHBondContact OG1-N 3.12Å; T577-K579 VanDerWaalsContact OG1-N 3.15Å; T577-K579 PolarHBondContact OG1-O 3.43Å; T577-P581 HydrophobicContact CG2-CB 3.94Å
578	P	79.4	Confident	90.6	Very high	100 Å²	100	51.8 Å²	51.8	65%	0.649	26%	0.262	S	S	*	.	S	Bend	trans	-75.7	-19.7	170.6	31.2	-34.9	0	0	0	113.2	R553	R553-P578 PolarHBondContact NE-O 2.98Å
579	K	81.2	Confident	90.5	Very high	164 Å²	164	52.7 Å²	52.7	71%	0.713	27%	0.267	S	S	*	.	S	Bend	trans	-126	141.8	-175.4	-64.5	-174.3	179.2	-175.6	0	111.4	T577	T577-K579 VanDerWaalsContact C-N 3.33Å; T577-K579 WeakPolarHBondContact CG2-O 3.28Å; T577-K579 PolarHBondContact OG1-N 3.12Å; T577-K579 VanDerWaalsContact OG1-N 3.15Å; T577-K579 PolarHBondContact OG1-O 3.43Å
580	N	82.8	Confident	90.3	Very high	152 Å²	152	52.8 Å²	52.8	81%	0.813	27%	0.268	S	S	*	.	S	Bend	trans	45.6	54.7	174.2	-53.9	1.4	0	0	0	114.6
581	P	90.2	Very high	90.2	Very high	14 Å²	14	50.9 Å²	50.9	9%	0.091	26%	0.256	C	S	.	.			trans	-69.5	148.9	171.6	34.4	-38.1	0	0	0	111	S551 R553 T577 V600	S551-P581 WeakPolarHBondContact OG-CA 3.47Å; R553-P581 HydrophobicContact CB-CB 3.7Å; R553-P581 HydrophobicContact CB-CG 3.6Å; T577-P581 HydrophobicContact CG2-CB 3.94Å; P581-V600 HydrophobicContact CG-CG1 4.08Å
582	K	91.5	Very high	89.8	Confident	108 Å²	108	48 Å²	48	47%	0.47	25%	0.25	S	C	.	.	S	Bend	trans	-70.7	-39.8	166.8	-178.5	177	174.4	-167.7	0	111	V550 S551	V550-K582 HydrophobicContact CG1-CD 4.32Å; S551-K582 PolarHBondContact O-N 3.49Å; S551-K582 PolarHBondContact OG-N 2.62Å
583	Y	93.9	Very high	89.2	Confident	16 Å²	16	52.3 Å²	52.3	6%	0.063	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.9	-179.8	-64.6	-59.2	0	0	0	112.7	V550 S551 F552 R553 E601 V603 W607 L620	V550-Y583 HydrophobicContact CG1-CD2 3.4Å; V550-Y583 VanDerWaalsContact CG1-CD2 3.4Å; V550-Y583 HydrophobicContact CG1-CE2 3.5Å; S551-Y583 PolarHBondContact O-N 2.88Å; F552-Y583 WeakPolarHBondContact CA-O 3.41Å; F552-Y583 HydrophobicContact CD1-CD2 4.37Å; F552-Y583 AromaticContact CE1-CD2 3.7Å; F552-Y583 HydrophobicContact CE1-CD2 3.7Å; F552-Y583 HydrophobicContact CE1-CG 4.1Å; F552-Y583 AromaticContact CZ-CD2 3.93Å; F552-Y583 HydrophobicContact CZ-CD2 3.93Å; R553-Y583 PolarHBondContact N-O 3.03Å; Y583-E601 WeakPolarHBondContact CA-O 3.36Å; Y583-E601 HydrophobicContact CD1-CB 3.87Å; Y583-E601 HydrophobicContact CD1-CG 4.13Å; Y583-E601 HydrophobicContact CE1-CB 4.01Å; Y583-E601 HydrophobicContact CE1-CG 4.02Å; Y583-E601 WeakPolarHBondContact CE1-OE2 3.26Å; Y583-V603 HydrophobicContact CD1-CG1 3.52Å; Y583-V603 HydrophobicContact CE1-CG1 4.11Å; Y583-V603 HydrophobicContact CG-CG1 4.03Å; Y583-V603 HydrophobicContact CG-CG2 4.47Å; Y583-W607 HydrophobicContact CD2-CH2 4.11Å; Y583-W607 HydrophobicContact CD2-CZ3 4.19Å; Y583-W607 AromaticContact CE2-CH2 3.77Å; Y583-W607 HydrophobicContact CE2-CH2 3.77Å; Y583-W607 HydrophobicContact CE2-CZ3 4.31Å; Y583-L620 HydrophobicContact CE1-CD1 3.95Å
584	L	92.7	Very high	88.2	Confident	11 Å²	11	54.3 Å²	54.3	6%	0.058	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	106.2	172.5	-168.4	62.3	0	0	0	109.4	R553 L555 T586 A595 V600 E601 L602 V603	R553-L584 HydrophobicContact CB-CD1 3.83Å; R553-L584 HydrophobicContact CG-CD1 4.04Å; L555-L584 HydrophobicContact CD1-CD1 3.81Å; L555-L584 HydrophobicContact CD1-CD2 4.37Å; L555-L584 HydrophobicContact CG-CD1 4.02Å; L584-T586 HydrophobicContact CD2-CG2 4.42Å; L584-T586 HydrophobicContact CG-CG2 4.06Å; L584-A595 HydrophobicContact CD2-CB 4.49Å; L584-V600 HydrophobicContact CB-CB 4.48Å; L584-V600 HydrophobicContact CB-CG1 3.7Å; L584-E601 PolarHBondContact N-O 3.04Å; L584-L602 HydrophobicContact CB-CD2 4.12Å; L584-L602 HydrophobicContact CD2-CD2 3.99Å; L584-L602 HydrophobicContact CG-CD2 4.2Å; L584-L602 WeakPolarHBondContact O-CA 3.49Å; L584-V603 PolarHBondContact O-N 2.91Å
585	V	94	Very high	87.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	121.3	177.4	-161.8	0	0	0	0	108.8	F552 R553 L554 L555 F557 I569 V603 I608	F552-V585 HydrophobicContact CD1-CG2 3.71Å; F552-V585 HydrophobicContact CE1-CG2 4.45Å; R553-V585 PolarHBondContact O-N 3.29Å; L554-V585 WeakPolarHBondContact CA-O 3.31Å; L554-V585 HydrophobicContact CG-CB 4.1Å; L554-V585 HydrophobicContact CG-CG2 4.2Å; L555-V585 PolarHBondContact N-O 2.93Å; F557-V585 HydrophobicContact CE2-CB 4.26Å; F557-V585 HydrophobicContact CE2-CG1 3.95Å; F557-V585 WeakPolarHBondContact CE2-O 3.49Å; F557-V585 HydrophobicContact CZ-CG1 4.01Å; I569-V585 HydrophobicContact CD1-CG2 4.22Å; V585-V603 WeakPolarHBondContact CA-O 3.24Å; V585-V603 HydrophobicContact CB-CG2 4.38Å; V585-V603 HydrophobicContact CG2-CG2 3.89Å; V585-I608 HydrophobicContact CG1-CG1 4.45Å
586	T	91.9	Very high	86.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.285	C	S	.	.			trans	-141.4	160.8	178.4	57.2	0	0	0	0	111	L555 L584 T590 A595 L602 V603 P605 S628	L555-T586 HydrophobicContact CB-CG2 4.26Å; L584-T586 HydrophobicContact CD2-CG2 4.42Å; L584-T586 HydrophobicContact CG-CG2 4.06Å; T586-T590 HydrophobicContact CG2-CG2 4.46Å; T586-A595 HydrophobicContact CG2-CB 4.45Å; T586-L602 HydrophobicContact CG2-CD2 4.02Å; T586-V603 PolarHBondContact N-O 2.91Å; T586-P605 VanDerWaalsContact O-CD 3.27Å; T586-P605 WeakPolarHBondContact O-CD 3.45Å; T586-S628 PolarHBondContact O-OG 2.8Å; T586-S628 WeakPolarHBondContact OG1-CB 3.3Å
587	P	90.4	Very high	84.8	Confident	39 Å²	39	53.6 Å²	53.6	25%	0.253	30%	0.297	S	S	.	.			trans	-48.6	143.6	168.1	-27.6	35	0	0	0	111.7	L555 G556 F557 L589 T590 S628	L555-P587 WeakPolarHBondContact O-CD 3.36Å; G556-P587 WeakPolarHBondContact O-CG 3.18Å; F557-P587 HydrophobicContact CD1-CG 4.14Å; F557-P587 HydrophobicContact CE1-CG 3.81Å; F557-P587 HydrophobicContact CZ-CG 4.42Å; P587-L589 CarbonylContact O-C 3.59Å; P587-L589 PolarHBondContact O-N 3.15Å; P587-T590 PolarHBondContact O-N 3Å; P587-S628 PolarHBondContact O-OG 3.15Å
588	L	91.4	Very high	83.5	Confident	21 Å²	21	58.2 Å²	58.2	11%	0.11	33%	0.325	C	S	.	.	S	Bend	trans	-49	-41.2	-172.2	176.4	67.8	0	0	0	113.3	L625 R627 S628 Y629 A655 M659	L588-L625 HydrophobicContact CD1-CD2 4.23Å; L588-L625 HydrophobicContact CD2-CD2 3.79Å; L588-R627 VanDerWaalsContact CD1-O 3.26Å; L588-R627 WeakPolarHBondContact CD1-O 3.47Å; L588-S628 WeakPolarHBondContact O-CA 3.46Å; L588-Y629 HydrophobicContact CD1-CE2 4.48Å; L588-Y629 PolarHBondContact O-N 3.43Å; L588-A655 HydrophobicContact CD2-CB 3.61Å; L588-M659 HydrophobicContact CD1-SD 4.07Å; L588-M659 HydrophobicContact CD2-CG 3.66Å; L588-M659 HydrophobicContact CD2-SD 3.82Å; L588-M659 HydrophobicContact CG-CG 3.86Å; L588-M659 HydrophobicContact CG-SD 3.73Å
589	L	91.1	Very high	83.4	Confident	31 Å²	31	62 Å²	62	16%	0.162	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.4	162.9	-168.7	74.9	0	0	0	107.6	P587 Y629 L631 I715	P587-L589 CarbonylContact O-C 3.59Å; P587-L589 PolarHBondContact O-N 3.15Å; L589-Y629 WeakPolarHBondContact CA-O 3.3Å; L589-L631 HydrophobicContact CD1-CB 3.81Å; L589-L631 HydrophobicContact CD1-CD2 4.25Å; L589-L631 HydrophobicContact CD2-CD2 4.41Å; L589-L631 HydrophobicContact CG-CB 4.43Å; L589-I715 HydrophobicContact CD1-CD1 4.27Å; L589-I715 HydrophobicContact CD1-CG2 3.65Å
590	T	90.4	Very high	83.6	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.5	-177	-179.6	0	0	0	0	111.5	T586 P587 L592 A595 Y629 Y630 L631	T586-T590 HydrophobicContact CG2-CG2 4.46Å; P587-T590 PolarHBondContact O-N 3Å; T590-L592 PolarHBondContact OG1-N 3.24Å; T590-A595 HydrophobicContact CG2-CB 3.51Å; T590-Y629 PolarHBondContact N-O 3.14Å; T590-Y630 WeakPolarHBondContact O-CA 3.34Å; T590-Y630 WeakPolarHBondContact O-CD2 3.47Å; T590-L631 PolarHBondContact O-N 3.28Å; T590-L631 VanDerWaalsContact O-N 3.09Å
591	R	90.7	Very high	83.9	Confident	64 Å²	64	52.3 Å²	52.3	24%	0.242	29%	0.289	C	S	.	.			trans	-96.8	-2.4	175.3	-55.9	-51.6	-159.8	-167.9	3.3	113.1	P593 L631 P632 E633 K636 G662	R591-P593 WeakPolarHBondContact O-CD 3.48Å; R591-L631 WeakPolarHBondContact CD-O 3.34Å; R591-L631 PolarHBondContact NH1-O 3.49Å; R591-P632 PolarHBondContact NH1-O 3.39Å; R591-E633 IonicContact CZ-OE1 2.7Å; R591-E633 IonicContact CZ-OE2 3.89Å; R591-E633 VanDerWaalsContact NE-CD 3.35Å; R591-E633 IonicContact NE-OE1 3.81Å; R591-E633 IonicContact NE-OE2 3.55Å; R591-E633 PolarHBondContact NE-OE2 3.45Å; R591-E633 IonicContact NH2-OE1 3.57Å; R591-E633 PolarHBondContact NH2-OE1 2.98Å; R591-E633 IonicContact NH2-OE2 3.9Å; R591-E633 PolarHBondContact NH2-OE2 2.87Å; R591-K636 VanDerWaalsContact NH2-NZ 3.2Å; R591-G662 PolarHBondContact NH2-O 3.33Å
592	L	84	Confident	84	Confident	64 Å²	64	53 Å²	53	34%	0.335	29%	0.292	S	S	.	.			trans	-77.3	121.8	-172.9	-64.9	177.5	0	0	0	111.2	L555 T590 A594 A595 Y630	L555-L592 HydrophobicContact CB-CD1 3.72Å; T590-L592 PolarHBondContact OG1-N 3.24Å; L592-A594 PolarHBondContact O-N 3.29Å; L592-A594 VanDerWaalsContact O-N 3.11Å; L592-A595 WeakPolarHBondContact O-CB 3.42Å; L592-A595 PolarHBondContact O-N 2.96Å; L592-Y630 VanDerWaalsContact C-CE2 3.47Å; L592-Y630 VanDerWaalsContact O-CD2 3.24Å; L592-Y630 WeakPolarHBondContact O-CD2 3.25Å; L592-Y630 VanDerWaalsContact O-CE2 3.22Å; L592-Y630 WeakPolarHBondContact O-CE2 3.5Å
593	P	79.5	Confident	84.2	Confident	92 Å²	92	47.8 Å²	47.8	60%	0.597	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-59.5	-24.3	177.6	-26	36	0	0	0	114	R591 A595 A596	R591-P593 WeakPolarHBondContact O-CD 3.48Å; P593-A595 PolarHBondContact O-N 3.47Å; P593-A595 VanDerWaalsContact O-N 3.13Å; P593-A596 WeakPolarHBondContact O-CB 3.27Å; P593-A596 PolarHBondContact O-N 3.14Å
594	A	70.8	Confident	84.2	Confident	57 Å²	57	47 Å²	47	47%	0.471	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-64	-10.5	171.8	0	0	0	0	0	114.2	L555 L592	L555-A594 HydrophobicContact CD1-CB 4.01Å; L592-A594 PolarHBondContact O-N 3.29Å; L592-A594 VanDerWaalsContact O-N 3.11Å
595	A	72.6	Confident	84.2	Confident	5 Å²	5	47.6 Å²	47.6	4%	0.041	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-98.7	1.2	170	0	0	0	0	0	113	L584 T586 T590 L592 P593 D597 L602 Y630	L584-A595 HydrophobicContact CD2-CB 4.49Å; T586-A595 HydrophobicContact CG2-CB 4.45Å; T590-A595 HydrophobicContact CG2-CB 3.51Å; L592-A595 WeakPolarHBondContact O-CB 3.42Å; L592-A595 PolarHBondContact O-N 2.96Å; P593-A595 PolarHBondContact O-N 3.47Å; P593-A595 VanDerWaalsContact O-N 3.13Å; A595-D597 VanDerWaalsContact C-N 3.3Å; A595-L602 HydrophobicContact CB-CD1 4.3Å; A595-L602 HydrophobicContact CB-CD2 3.77Å; A595-L602 WeakPolarHBondContact O-CD1 3.39Å; A595-Y630 HydrophobicContact CB-CD2 4.35Å; A595-Y630 WeakPolarHBondContact O-CB 3.37Å
596	A	70	Confident	84.1	Confident	45 Å²	45	49.5 Å²	49.5	37%	0.372	28%	0.28	S	S	.	.	S	Bend	trans	-79.4	-17.7	170.1	0	0	0	0	0	112.4	P593 Y630	P593-A596 WeakPolarHBondContact O-CB 3.27Å; P593-A596 PolarHBondContact O-N 3.14Å; A596-Y630 HydrophobicContact CB-CD1 3.62Å; A596-Y630 HydrophobicContact CB-CE1 3.47Å; A596-Y630 VanDerWaalsContact CB-CE1 3.47Å; A596-Y630 HydrophobicContact CB-CG 4.27Å
597	D	64.3	Low	84.3	Confident	106 Å²	106	49.6 Å²	49.6	57%	0.567	28%	0.281	S	S	*	.			trans	-72.8	124.4	-176.1	-160.4	-14.8	0	0	0	110.9	A595 E599	A595-D597 VanDerWaalsContact C-N 3.3Å; D597-E599 PolarHBondContact O-N 3.47Å
598	T	60.1	Low	84.5	Confident	130 Å²	130	47.7 Å²	47.7	80%	0.798	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.4	-163.3	43.4	0	0	0	0	114.9
599	E	77.5	Confident	84.5	Confident	179 Å²	179	52 Å²	52	84%	0.836	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-15.8	-173.4	-61.2	-162.2	159.8	0	0	114.4	D597	D597-E599 PolarHBondContact O-N 3.47Å
600	V	85.5	Confident	84.6	Confident	42 Å²	42	52.8 Å²	52.8	26%	0.255	29%	0.291	S	S	.	.	S	Bend	trans	-114.9	132.8	-177.1	-174.3	0	0	0	0	111.3	P581 L584 L602	P581-V600 HydrophobicContact CG-CG1 4.08Å; L584-V600 HydrophobicContact CB-CB 4.48Å; L584-V600 HydrophobicContact CB-CG1 3.7Å; V600-L602 PolarHBondContact O-N 3.29Å
601	E	89.6	Confident	84.8	Confident	72 Å²	72	52.6 Å²	52.6	34%	0.336	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	118.7	-176.1	-172.8	156	-141.6	0	0	111.8	Y583 L584 L620 R627	Y583-E601 WeakPolarHBondContact CA-O 3.36Å; Y583-E601 HydrophobicContact CD1-CB 3.87Å; Y583-E601 HydrophobicContact CD1-CG 4.13Å; Y583-E601 HydrophobicContact CE1-CB 4.01Å; Y583-E601 HydrophobicContact CE1-CG 4.02Å; Y583-E601 WeakPolarHBondContact CE1-OE2 3.26Å; L584-E601 PolarHBondContact N-O 3.04Å; E601-L620 HydrophobicContact CG-CD1 3.81Å; E601-L620 WeakPolarHBondContact OE1-CD1 3.28Å; E601-R627 IonicContact OE1-CZ 2.89Å; E601-R627 IonicContact OE1-NH1 4Å; E601-R627 PolarHBondContact OE1-NH1 2.82Å; E601-R627 IonicContact OE1-NH2 2.61Å; E601-R627 PolarHBondContact OE1-NH2 2.9Å
602	L	92	Very high	84.8	Confident	27 Å²	27	51.1 Å²	51.1	14%	0.141	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.4	-179.3	-78.2	163.2	0	0	0	112.2	L584 T586 A595 V600 R627 S628	L584-L602 HydrophobicContact CB-CD2 4.12Å; L584-L602 HydrophobicContact CD2-CD2 3.99Å; L584-L602 HydrophobicContact CG-CD2 4.2Å; L584-L602 WeakPolarHBondContact O-CA 3.49Å; T586-L602 HydrophobicContact CG2-CD2 4.02Å; A595-L602 HydrophobicContact CB-CD1 4.3Å; A595-L602 HydrophobicContact CB-CD2 3.77Å; A595-L602 WeakPolarHBondContact O-CD1 3.39Å; V600-L602 PolarHBondContact O-N 3.29Å; L602-R627 WeakPolarHBondContact O-CA 3.42Å; L602-S628 WeakPolarHBondContact CB-O 3.18Å; L602-S628 PolarHBondContact O-N 2.58Å
603	V	95.1	Very high	85.1	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	150.3	178.2	-54.9	0	0	0	0	111.5	Y583 L584 V585 T586 W607 L620 F626 S628	Y583-V603 HydrophobicContact CD1-CG1 3.52Å; Y583-V603 HydrophobicContact CE1-CG1 4.11Å; Y583-V603 HydrophobicContact CG-CG1 4.03Å; Y583-V603 HydrophobicContact CG-CG2 4.47Å; L584-V603 PolarHBondContact O-N 2.91Å; V585-V603 WeakPolarHBondContact CA-O 3.24Å; V585-V603 HydrophobicContact CB-CG2 4.38Å; V585-V603 HydrophobicContact CG2-CG2 3.89Å; T586-V603 PolarHBondContact N-O 2.91Å; V603-W607 HydrophobicContact CB-CD2 4.38Å; V603-W607 HydrophobicContact CB-CE3 3.84Å; V603-W607 HydrophobicContact CB-CZ3 4.4Å; V603-W607 HydrophobicContact CG1-CD2 4.44Å; V603-W607 HydrophobicContact CG1-CE3 4.01Å; V603-W607 HydrophobicContact CG1-CZ3 4.22Å; V603-W607 HydrophobicContact CG2-CE3 3.96Å; V603-W607 HydrophobicContact CG2-CZ3 4.28Å; V603-L620 HydrophobicContact CB-CD2 4.46Å; V603-L620 HydrophobicContact CG1-CD1 4.07Å; V603-L620 HydrophobicContact CG1-CD2 3.73Å; V603-F626 WeakPolarHBondContact CA-O 3.36Å; V603-S628 PolarHBondContact O-OG 3.44Å
604	S	94	Very high	85.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.298	C	S	.	.			trans	-96.4	159.8	-178.7	94	0	0	0	0	112.5	I606 W607 I608 L625 F626 S628	S604-I606 PolarHBondContact O-N 2.95Å; S604-I606 VanDerWaalsContact O-N 3.12Å; S604-I606 WeakPolarHBondContact OG-CB 3.42Å; S604-I606 PolarHBondContact OG-N 2.74Å; S604-W607 WeakPolarHBondContact O-CB 3.38Å; S604-W607 PolarHBondContact O-N 2.67Å; S604-W607 VanDerWaalsContact O-N 3.11Å; S604-W607 PolarHBondContact OG-N 3.26Å; S604-I608 PolarHBondContact O-N 3.28Å; S604-L625 WeakPolarHBondContact CB-O 3.49Å; S604-L625 PolarHBondContact OG-O 2.78Å; S604-F626 PolarHBondContact N-O 3.18Å; S604-S628 VanDerWaalsContact CA-OG 3.24Å; S604-S628 WeakPolarHBondContact CA-OG 3.36Å; S604-S628 WeakPolarHBondContact CB-OG 3.49Å; S604-S628 PolarHBondContact N-OG 3.05Å
605	P	93.2	Very high	86.6	Confident	22 Å²	22	51.6 Å²	51.6	14%	0.143	29%	0.288	C	S	.	.	H	α-helix	trans	-55.1	-21.9	166.6	-30	37.2	0	0	0	114.9	F557 L565 T586 K609	F557-P605 HydrophobicContact CE1-CG 3.54Å; F557-P605 HydrophobicContact CZ-CG 3.53Å; L565-P605 HydrophobicContact CD1-CB 4.37Å; L565-P605 HydrophobicContact CD1-CG 4.1Å; L565-P605 HydrophobicContact CD2-CB 4.06Å; T586-P605 VanDerWaalsContact O-CD 3.27Å; T586-P605 WeakPolarHBondContact O-CD 3.45Å; P605-K609 VanDerWaalsContact O-CG 3.28Å; P605-K609 WeakPolarHBondContact O-CG 3.43Å; P605-K609 PolarHBondContact O-N 3.04Å
606	I	92.4	Very high	87.5	Confident	41 Å²	41	54 Å²	54	21%	0.21	30%	0.304	C	S	.	.	H	α-helix	trans	-74.9	-37	179.1	-58.4	172	0	0	0	109.7	S604 K609 N610 L625 F626 A655	S604-I606 PolarHBondContact O-N 2.95Å; S604-I606 VanDerWaalsContact O-N 3.12Å; S604-I606 WeakPolarHBondContact OG-CB 3.42Å; S604-I606 PolarHBondContact OG-N 2.74Å; I606-K609 PolarHBondContact O-N 3.41Å; I606-N610 WeakPolarHBondContact O-CB 3.26Å; I606-N610 PolarHBondContact O-N 2.86Å; I606-L625 HydrophobicContact CD1-CB 4.06Å; I606-L625 HydrophobicContact CD1-CD1 4.18Å; I606-L625 HydrophobicContact CG2-CB 4.35Å; I606-F626 HydrophobicContact CG2-CD1 4.38Å; I606-F626 HydrophobicContact CG2-CE1 4.39Å; I606-A655 HydrophobicContact CD1-CB 3.94Å
607	W	95.4	Very high	88.5	Confident	1 Å²	1	55.9 Å²	55.9	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-62.9	-49.6	173.7	-174.6	66.9	0	0	0	112	F547 F552 Y583 V603 S604 K609 N610 C611 I617 A618 L620 F626	F547-W607 AromaticContact CE1-CH2 3.82Å; F547-W607 HydrophobicContact CE1-CH2 3.82Å; F547-W607 HydrophobicContact CE1-CZ2 4.47Å; F547-W607 HydrophobicContact CE1-CZ3 4.05Å; F547-W607 HydrophobicContact CZ-CE3 4.43Å; F547-W607 HydrophobicContact CZ-CH2 4.11Å; F547-W607 AromaticContact CZ-CZ3 3.86Å; F547-W607 HydrophobicContact CZ-CZ3 3.86Å; F552-W607 AromaticContact CE1-CZ3 3.94Å; F552-W607 HydrophobicContact CE1-CZ3 3.94Å; F552-W607 HydrophobicContact CZ-CZ3 4.15Å; Y583-W607 HydrophobicContact CD2-CH2 4.11Å; Y583-W607 HydrophobicContact CD2-CZ3 4.19Å; Y583-W607 AromaticContact CE2-CH2 3.77Å; Y583-W607 HydrophobicContact CE2-CH2 3.77Å; Y583-W607 HydrophobicContact CE2-CZ3 4.31Å; V603-W607 HydrophobicContact CB-CD2 4.38Å; V603-W607 HydrophobicContact CB-CE3 3.84Å; V603-W607 HydrophobicContact CB-CZ3 4.4Å; V603-W607 HydrophobicContact CG1-CD2 4.44Å; V603-W607 HydrophobicContact CG1-CE3 4.01Å; V603-W607 HydrophobicContact CG1-CZ3 4.22Å; V603-W607 HydrophobicContact CG2-CE3 3.96Å; V603-W607 HydrophobicContact CG2-CZ3 4.28Å; S604-W607 WeakPolarHBondContact O-CB 3.38Å; S604-W607 PolarHBondContact O-N 2.67Å; S604-W607 VanDerWaalsContact O-N 3.11Å; S604-W607 PolarHBondContact OG-N 3.26Å; W607-K609 VanDerWaalsContact C-N 3.29Å; W607-K609 PolarHBondContact O-N 3.41Å; W607-N610 WeakPolarHBondContact O-CB 3.5Å; W607-N610 PolarHBondContact O-N 3.43Å; W607-C611 PolarHBondContact O-N 3.41Å; W607-C611 PolarHBondContact O-SG 2.92Å; W607-I617 HydrophobicContact CH2-CG2 4.33Å; W607-I617 HydrophobicContact CZ2-CG2 3.68Å; W607-A618 PolarHBondContact NE1-O 2.89Å; W607-L620 HydrophobicContact CD2-CD2 3.76Å; W607-L620 HydrophobicContact CG-CD2 3.78Å; W607-L620 HydrophobicContact CZ2-CD2 4.12Å; W607-L620 HydrophobicContact CZ2-CG 4.35Å; W607-F626 HydrophobicContact CB-CB 3.87Å; W607-F626 HydrophobicContact CB-CD1 4.07Å; W607-F626 HydrophobicContact CB-CG 4.15Å; W607-F626 WeakPolarHBondContact CB-O 3.12Å; W607-F626 AromaticContact CD1-CD2 3.86Å; W607-F626 AromaticContact CD1-CG 3.6Å; W607-F626 HydrophobicContact CG-CB 4.02Å; W607-F626 HydrophobicContact CG-CG 4.27Å
608	I	94.9	Very high	89.7	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-55.9	-44.6	177	-57.7	-62.5	0	0	0	111.2	F547 F552 L565 D568 I569 V585 S604 C611 L612	F547-I608 HydrophobicContact CE2-CD1 3.88Å; F547-I608 HydrophobicContact CZ-CD1 4.01Å; F552-I608 HydrophobicContact CD1-CD1 4.36Å; F552-I608 HydrophobicContact CE1-CD1 3.66Å; F552-I608 HydrophobicContact CZ-CD1 4.13Å; L565-I608 HydrophobicContact CD2-CB 4.5Å; L565-I608 HydrophobicContact CD2-CG2 4.39Å; D568-I608 HydrophobicContact CB-CG2 4.17Å; I569-I608 HydrophobicContact CD1-CD1 4.37Å; I569-I608 HydrophobicContact CG1-CD1 4.07Å; I569-I608 HydrophobicContact CG1-CG2 3.96Å; V585-I608 HydrophobicContact CG1-CG1 4.45Å; S604-I608 PolarHBondContact O-N 3.28Å; I608-C611 PolarHBondContact O-N 3.25Å; I608-L612 WeakPolarHBondContact O-CB 3.46Å; I608-L612 PolarHBondContact O-N 3.38Å
609	K	92.2	Very high	91.2	Very high	110 Å²	110	49 Å²	49	48%	0.478	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-37.2	175.9	-74.1	173.1	-177.1	178.2	0	113.1	P605 I606 W607 L612 A613	P605-K609 VanDerWaalsContact O-CG 3.28Å; P605-K609 WeakPolarHBondContact O-CG 3.43Å; P605-K609 PolarHBondContact O-N 3.04Å; I606-K609 PolarHBondContact O-N 3.41Å; W607-K609 VanDerWaalsContact C-N 3.29Å; W607-K609 PolarHBondContact O-N 3.41Å; K609-L612 PolarHBondContact O-N 3.07Å; K609-A613 WeakPolarHBondContact O-CB 3.43Å; K609-A613 PolarHBondContact O-N 2.94Å
610	N	92.6	Very high	91.8	Very high	48 Å²	48	41.1 Å²	41.1	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-67.4	-46.1	177.2	-170.4	-86.6	0	0	0	110.8	I606 W607 L612 A613 N614 A618 F626	I606-N610 WeakPolarHBondContact O-CB 3.26Å; I606-N610 PolarHBondContact O-N 2.86Å; W607-N610 WeakPolarHBondContact O-CB 3.5Å; W607-N610 PolarHBondContact O-N 3.43Å; N610-L612 VanDerWaalsContact C-N 3.27Å; N610-L612 PolarHBondContact O-N 2.91Å; N610-A613 PolarHBondContact O-N 2.88Å; N610-N614 PolarHBondContact ND2-ND2 3.3Å; N610-N614 WeakPolarHBondContact O-CB 3.45Å; N610-N614 PolarHBondContact O-N 3.09Å; N610-N614 PolarHBondContact O-ND2 3.13Å; N610-N614 PolarHBondContact OD1-ND2 3.03Å; N610-A618 WeakPolarHBondContact OD1-CB 3.31Å; N610-F626 HydrophobicContact CB-CE1 3.73Å; N610-F626 HydrophobicContact CB-CZ 3.98Å
611	C	94.2	Very high	91.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-37	174.8	-60.3	0	0	0	0	112.3	F547 L572 W607 I608 N615 S616 A618	F547-C611 HydrophobicContact CE1-CB 4.02Å; F547-C611 HydrophobicContact CZ-CB 3.66Å; L572-C611 HydrophobicContact CD1-CB 4.23Å; W607-C611 PolarHBondContact O-N 3.41Å; W607-C611 PolarHBondContact O-SG 2.92Å; I608-C611 PolarHBondContact O-N 3.25Å; C611-N615 VanDerWaalsContact O-CA 3.28Å; C611-N615 WeakPolarHBondContact O-CA 3.43Å; C611-N615 PolarHBondContact O-N 3.49Å; C611-S616 WeakPolarHBondContact CA-O 3.32Å; C611-S616 VanDerWaalsContact CB-O 3.3Å; C611-S616 WeakPolarHBondContact CB-O 3.17Å; C611-S616 PolarHBondContact O-N 2.94Å; C611-S616 PolarHBondContact SG-O 3.48Å; C611-A618 PolarHBondContact SG-N 3.34Å; C611-A618 VanDerWaalsContact SG-N 3.4Å
612	L	91	Very high	91.5	Very high	33 Å²	33	45 Å²	45	17%	0.173	27%	0.27	C	S	.	.	H	α-helix	trans	-68.6	-41.9	175.6	-175.8	66.2	0	0	0	112.9	Y543 D568 R571 L572 I608 K609 N610	Y543-L612 HydrophobicContact CE1-CD1 4.5Å; D568-L612 HydrophobicContact CB-CD2 4.06Å; R571-L612 HydrophobicContact CG-CD1 4.13Å; L572-L612 HydrophobicContact CD1-CB 4.01Å; L572-L612 HydrophobicContact CD1-CD1 4.19Å; L572-L612 HydrophobicContact CD2-CD1 4.12Å; L572-L612 HydrophobicContact CG-CD1 3.94Å; I608-L612 WeakPolarHBondContact O-CB 3.46Å; I608-L612 PolarHBondContact O-N 3.38Å; K609-L612 PolarHBondContact O-N 3.07Å; N610-L612 VanDerWaalsContact C-N 3.27Å; N610-L612 PolarHBondContact O-N 2.91Å
613	A	90.5	Very high	91.4	Very high	82 Å²	82	44.7 Å²	44.7	68%	0.678	27%	0.27	S	S	*	.	H	α-helix	trans	-71	-35.8	-179.8	0	0	0	0	0	112.6	K609 N610	K609-A613 WeakPolarHBondContact O-CB 3.43Å; K609-A613 PolarHBondContact O-N 2.94Å; N610-A613 PolarHBondContact O-N 2.88Å
614	N	91.1	Very high	91.1	Very high	94 Å²	94	46.2 Å²	46.2	50%	0.503	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	2.3	-176.3	-62.4	-29.3	0	0	0	113.6	N610 S616	N610-N614 PolarHBondContact ND2-ND2 3.3Å; N610-N614 WeakPolarHBondContact O-CB 3.45Å; N610-N614 PolarHBondContact O-N 3.09Å; N610-N614 PolarHBondContact O-ND2 3.13Å; N610-N614 PolarHBondContact OD1-ND2 3.03Å; N614-S616 PolarHBondContact O-N 3.29Å; N614-S616 VanDerWaalsContact O-N 3.09Å; N614-S616 PolarHBondContact O-OG 2.88Å
615	N	89.6	Confident	91	Very high	47 Å²	47	46.4 Å²	46.4	25%	0.251	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.8	44.3	-173	-165.1	67	0	0	0	113.8	V546 C611	V546-N615 VanDerWaalsContact CG2-C 3.43Å; V546-N615 WeakPolarHBondContact CG2-O 3.47Å; C611-N615 VanDerWaalsContact O-CA 3.28Å; C611-N615 WeakPolarHBondContact O-CA 3.43Å; C611-N615 PolarHBondContact O-N 3.49Å
616	S	91.8	Very high	91	Very high	56 Å²	56	46.3 Å²	46.3	39%	0.392	28%	0.279	S	S	.	.	S	Bend	trans	-157.6	151.5	-174.5	47.1	0	0	0	0	111.3	V546 C611 N614 A618	V546-S616 VanDerWaalsContact CG1-C 3.41Å; C611-S616 WeakPolarHBondContact CA-O 3.32Å; C611-S616 VanDerWaalsContact CB-O 3.3Å; C611-S616 WeakPolarHBondContact CB-O 3.17Å; C611-S616 PolarHBondContact O-N 2.94Å; C611-S616 PolarHBondContact SG-O 3.48Å; N614-S616 PolarHBondContact O-N 3.29Å; N614-S616 VanDerWaalsContact O-N 3.09Å; N614-S616 PolarHBondContact O-OG 2.88Å; S616-A618 PolarHBondContact O-N 3.31Å; S616-A618 VanDerWaalsContact O-N 3.16Å
617	I	91.2	Very high	91.1	Very high	83 Å²	83	48 Å²	48	43%	0.426	28%	0.282	S	S	.	.			trans	-73.5	108.2	175.3	-57.4	-174	0	0	0	108.5	V546 F547 W607	V546-I617 HydrophobicContact CG1-CB 4.49Å; V546-I617 HydrophobicContact CG1-CG1 3.6Å; V546-I617 VanDerWaalsContact O-CD1 3.3Å; V546-I617 WeakPolarHBondContact O-CD1 3.34Å; V546-I617 WeakPolarHBondContact O-CG1 3.39Å; F547-I617 HydrophobicContact CD1-CD1 4.46Å; F547-I617 HydrophobicContact CD1-CG1 4.17Å; F547-I617 HydrophobicContact CE1-CG1 4.23Å; W607-I617 HydrophobicContact CH2-CG2 4.33Å; W607-I617 HydrophobicContact CZ2-CG2 3.68Å
618	A	89.6	Confident	90.9	Very high	8 Å²	8	48.1 Å²	48.1	7%	0.066	28%	0.283	C	S	.	.			trans	-68.3	137.7	173.7	0	0	0	0	0	111	W607 N610 C611 S616 L620 F626	W607-A618 PolarHBondContact NE1-O 2.89Å; N610-A618 WeakPolarHBondContact OD1-CB 3.31Å; C611-A618 PolarHBondContact SG-N 3.34Å; C611-A618 VanDerWaalsContact SG-N 3.4Å; S616-A618 PolarHBondContact O-N 3.31Å; S616-A618 VanDerWaalsContact O-N 3.16Å; A618-L620 PolarHBondContact O-N 3.22Å; A618-F626 HydrophobicContact CB-CD2 4.4Å; A618-F626 HydrophobicContact CB-CE2 3.9Å; A618-F626 HydrophobicContact CB-CZ 4.3Å
619	P	92.1	Very high	90.8	Very high	84 Å²	84	49 Å²	49	55%	0.545	29%	0.287	S	S	.	.			trans	-66.6	130	175	28.5	-34.5	0	0	0	110.4	D621 G622 F626	P619-D621 WeakPolarHBondContact CB-OD1 3.25Å; P619-D621 PolarHBondContact O-N 3.25Å; P619-G622 PolarHBondContact O-N 3.29Å; P619-F626 WeakPolarHBondContact O-CD2 3.38Å
620	L	90.4	Very high	90.8	Very high	13 Å²	13	45.6 Å²	45.6	7%	0.068	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-11.7	-171.1	-74.8	173.1	0	0	0	114.7	Y583 E601 V603 W607 A618 F626 R627	Y583-L620 HydrophobicContact CE1-CD1 3.95Å; E601-L620 HydrophobicContact CG-CD1 3.81Å; E601-L620 WeakPolarHBondContact OE1-CD1 3.28Å; V603-L620 HydrophobicContact CB-CD2 4.46Å; V603-L620 HydrophobicContact CG1-CD1 4.07Å; V603-L620 HydrophobicContact CG1-CD2 3.73Å; W607-L620 HydrophobicContact CD2-CD2 3.76Å; W607-L620 HydrophobicContact CG-CD2 3.78Å; W607-L620 HydrophobicContact CZ2-CD2 4.12Å; W607-L620 HydrophobicContact CZ2-CG 4.35Å; A618-L620 PolarHBondContact O-N 3.22Å; L620-F626 HydrophobicContact CD2-CB 4.15Å; L620-R627 HydrophobicContact CB-CG 4.38Å; L620-R627 PolarHBondContact O-NE 3Å
621	D	85.1	Confident	90.9	Very high	137 Å²	137	43.3 Å²	43.3	73%	0.733	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-13.8	171.3	54.1	-31.3	0	0	0	112.9	P619 S623	P619-D621 WeakPolarHBondContact CB-OD1 3.25Å; P619-D621 PolarHBondContact O-N 3.25Å; D621-S623 PolarHBondContact O-N 3.39Å
622	G	83.1	Confident	90.7	Very high	58 Å²	58	44.1 Å²	44.1	60%	0.598	26%	0.264	S	S	*	.	S	Bend	trans	-67.9	-15.5	177.9	0	0	0	0	0	115.1	P619	P619-G622 PolarHBondContact O-N 3.29Å
623	S	89.1	Confident	90.6	Very high	21 Å²	21	48 Å²	48	15%	0.147	28%	0.281	C	S	.	.			trans	-154.8	138	167.9	-178.6	0	0	0	0	110.9	D621 L625 F626	D621-S623 PolarHBondContact O-N 3.39Å; S623-L625 PolarHBondContact O-N 2.78Å; S623-L625 VanDerWaalsContact O-N 3.15Å; S623-L625 PolarHBondContact OG-N 2.95Å; S623-F626 WeakPolarHBondContact O-CB 3.25Å; S623-F626 PolarHBondContact O-N 3.09Å; S623-F626 VanDerWaalsContact O-N 3.09Å
624	P	88.7	Confident	90.7	Very high	32 Å²	32	49.2 Å²	49.2	21%	0.208	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-59.3	-25.3	171.2	27	-36.2	0	0	0	112.3	F626 Y629 V712	P624-F626 PolarHBondContact O-N 3.24Å; P624-Y629 WeakPolarHBondContact O-CE2 3.35Å; P624-Y629 PolarHBondContact O-OH 2.78Å; P624-V712 HydrophobicContact CB-CG2 3.61Å
625	L	92	Very high	90.9	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-75.9	-7.2	179.6	-62	-167.8	0	0	0	114	L588 S604 I606 S623 E652 A655 L656	L588-L625 HydrophobicContact CD1-CD2 4.23Å; L588-L625 HydrophobicContact CD2-CD2 3.79Å; S604-L625 WeakPolarHBondContact CB-O 3.49Å; S604-L625 PolarHBondContact OG-O 2.78Å; I606-L625 HydrophobicContact CD1-CB 4.06Å; I606-L625 HydrophobicContact CD1-CD1 4.18Å; I606-L625 HydrophobicContact CG2-CB 4.35Å; S623-L625 PolarHBondContact O-N 2.78Å; S623-L625 VanDerWaalsContact O-N 3.15Å; S623-L625 PolarHBondContact OG-N 2.95Å; L625-E652 HydrophobicContact CD1-CB 3.89Å; L625-E652 HydrophobicContact CD1-CG 3.69Å; L625-A655 HydrophobicContact CD1-CB 3.74Å; L625-A655 HydrophobicContact CD2-CB 3.89Å; L625-A655 HydrophobicContact CG-CB 4.47Å; L625-L656 HydrophobicContact CD2-CD2 3.93Å; L625-L656 HydrophobicContact CD2-CG 4.24Å
626	F	94.4	Very high	91.2	Very high	21 Å²	21	48.6 Å²	48.6	9%	0.092	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-82.2	-24.7	178.2	-66.3	-19	0	0	0	113.6	V603 S604 I606 W607 N610 A618 P619 L620 S623 P624	V603-F626 WeakPolarHBondContact CA-O 3.36Å; S604-F626 PolarHBondContact N-O 3.18Å; I606-F626 HydrophobicContact CG2-CD1 4.38Å; I606-F626 HydrophobicContact CG2-CE1 4.39Å; W607-F626 HydrophobicContact CB-CB 3.87Å; W607-F626 HydrophobicContact CB-CD1 4.07Å; W607-F626 HydrophobicContact CB-CG 4.15Å; W607-F626 WeakPolarHBondContact CB-O 3.12Å; W607-F626 AromaticContact CD1-CD2 3.86Å; W607-F626 AromaticContact CD1-CG 3.6Å; W607-F626 HydrophobicContact CG-CB 4.02Å; W607-F626 HydrophobicContact CG-CG 4.27Å; N610-F626 HydrophobicContact CB-CE1 3.73Å; N610-F626 HydrophobicContact CB-CZ 3.98Å; A618-F626 HydrophobicContact CB-CD2 4.4Å; A618-F626 HydrophobicContact CB-CE2 3.9Å; A618-F626 HydrophobicContact CB-CZ 4.3Å; P619-F626 WeakPolarHBondContact O-CD2 3.38Å; L620-F626 HydrophobicContact CD2-CB 4.15Å; S623-F626 WeakPolarHBondContact O-CB 3.25Å; S623-F626 PolarHBondContact O-N 3.09Å; S623-F626 VanDerWaalsContact O-N 3.09Å; P624-F626 PolarHBondContact O-N 3.24Å
627	R	93.5	Very high	91.5	Very high	75 Å²	75	46.8 Å²	46.8	28%	0.283	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-92.7	150.7	174.7	-65.8	179.1	174	-78.5	-0.7	110	L588 E601 L602 L620 Y629	L588-R627 VanDerWaalsContact CD1-O 3.26Å; L588-R627 WeakPolarHBondContact CD1-O 3.47Å; E601-R627 IonicContact OE1-CZ 2.89Å; E601-R627 IonicContact OE1-NH1 4Å; E601-R627 PolarHBondContact OE1-NH1 2.82Å; E601-R627 IonicContact OE1-NH2 2.61Å; E601-R627 PolarHBondContact OE1-NH2 2.9Å; L602-R627 WeakPolarHBondContact O-CA 3.42Å; L620-R627 HydrophobicContact CB-CG 4.38Å; L620-R627 PolarHBondContact O-NE 3Å; R627-Y629 HydrophobicContact CB-CE1 4.27Å
628	S	92.7	Very high	91.8	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.035	24%	0.243	C	C	.	.			trans	-101.7	150.7	166.9	-68.9	0	0	0	0	110.4	T586 P587 L588 L602 V603 S604	T586-S628 PolarHBondContact O-OG 2.8Å; T586-S628 WeakPolarHBondContact OG1-CB 3.3Å; P587-S628 PolarHBondContact O-OG 3.15Å; L588-S628 WeakPolarHBondContact O-CA 3.46Å; L602-S628 WeakPolarHBondContact CB-O 3.18Å; L602-S628 PolarHBondContact O-N 2.58Å; V603-S628 PolarHBondContact O-OG 3.44Å; S604-S628 VanDerWaalsContact CA-OG 3.24Å; S604-S628 WeakPolarHBondContact CA-OG 3.36Å; S604-S628 WeakPolarHBondContact CB-OG 3.49Å; S604-S628 PolarHBondContact N-OG 3.05Å
629	Y	92.7	Very high	92.1	Very high	17 Å²	17	45.4 Å²	45.4	7%	0.067	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.5	-172.5	-57	-74.6	0	0	0	110.8	L588 L589 T590 P624 R627 M659 V712 I715 R716	L588-Y629 HydrophobicContact CD1-CE2 4.48Å; L588-Y629 PolarHBondContact O-N 3.43Å; L589-Y629 WeakPolarHBondContact CA-O 3.3Å; T590-Y629 PolarHBondContact N-O 3.14Å; P624-Y629 WeakPolarHBondContact O-CE2 3.35Å; P624-Y629 PolarHBondContact O-OH 2.78Å; R627-Y629 HydrophobicContact CB-CE1 4.27Å; Y629-M659 HydrophobicContact CD2-SD 3.74Å; Y629-M659 HydrophobicContact CE2-SD 3.9Å; Y629-V712 HydrophobicContact CD1-CG1 4.43Å; Y629-V712 HydrophobicContact CE1-CG1 3.56Å; Y629-V712 HydrophobicContact CE2-CG1 4.49Å; Y629-V712 HydrophobicContact CE2-CG2 4.18Å; Y629-V712 WeakPolarHBondContact OH-CG1 3.35Å; Y629-I715 HydrophobicContact CG-CG2 4.4Å; Y629-R716 HydrophobicContact CD1-CG 3.76Å; Y629-R716 HydrophobicContact CE1-CG 3.96Å
630	Y	92.1	Very high	92.3	Very high	40 Å²	40	44.9 Å²	44.9	16%	0.157	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.2	170.9	175.4	-111.6	0	0	0	110.8	T590 L592 A595 A596 P632	T590-Y630 WeakPolarHBondContact O-CA 3.34Å; T590-Y630 WeakPolarHBondContact O-CD2 3.47Å; L592-Y630 VanDerWaalsContact C-CE2 3.47Å; L592-Y630 VanDerWaalsContact O-CD2 3.24Å; L592-Y630 WeakPolarHBondContact O-CD2 3.25Å; L592-Y630 VanDerWaalsContact O-CE2 3.22Å; L592-Y630 WeakPolarHBondContact O-CE2 3.5Å; A595-Y630 HydrophobicContact CB-CD2 4.35Å; A595-Y630 WeakPolarHBondContact O-CB 3.37Å; A596-Y630 HydrophobicContact CB-CD1 3.62Å; A596-Y630 HydrophobicContact CB-CE1 3.47Å; A596-Y630 VanDerWaalsContact CB-CE1 3.47Å; A596-Y630 HydrophobicContact CB-CG 4.27Å; Y630-P632 HydrophobicContact CE1-CG 3.86Å
631	L	93.2	Very high	92.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.271	C	S	.	.			trans	-144.2	117.2	171.8	-177.7	68.4	0	0	0	108.1	L589 T590 R591 E635 P637 A663 I715 R718	L589-L631 HydrophobicContact CD1-CB 3.81Å; L589-L631 HydrophobicContact CD1-CD2 4.25Å; L589-L631 HydrophobicContact CD2-CD2 4.41Å; L589-L631 HydrophobicContact CG-CB 4.43Å; T590-L631 PolarHBondContact O-N 3.28Å; T590-L631 VanDerWaalsContact O-N 3.09Å; R591-L631 WeakPolarHBondContact CD-O 3.34Å; R591-L631 PolarHBondContact NH1-O 3.49Å; L631-E635 HydrophobicContact CD1-CB 3.79Å; L631-E635 WeakPolarHBondContact CD1-OE2 3.07Å; L631-E635 HydrophobicContact CG-CB 4.41Å; L631-P637 HydrophobicContact CD1-CG 4.28Å; L631-P637 HydrophobicContact CD2-CG 4.36Å; L631-A663 HydrophobicContact CD2-CB 4.13Å; L631-I715 HydrophobicContact CB-CG2 4.16Å; L631-I715 HydrophobicContact CD2-CG2 4.36Å; L631-R718 HydrophobicContact CD1-CG 4.12Å
632	P	91.4	Very high	93.2	Very high	16 Å²	16	38.4 Å²	38.4	10%	0.104	24%	0.24	C	C	.	.			trans	-52.6	152.6	172.4	-28	34.9	0	0	0	113.8	R591 Y630 S634 E635	R591-P632 PolarHBondContact NH1-O 3.39Å; Y630-P632 HydrophobicContact CE1-CG 3.86Å; P632-S634 VanDerWaalsContact C-N 3.27Å; P632-S634 PolarHBondContact O-N 3.47Å; P632-E635 HydrophobicContact CB-CB 4.4Å; P632-E635 HydrophobicContact CB-CG 4.09Å; P632-E635 VanDerWaalsContact CD-OE2 3.32Å; P632-E635 WeakPolarHBondContact CD-OE2 3.45Å; P632-E635 HydrophobicContact CG-CG 4.21Å; P632-E635 PolarHBondContact O-N 3.25Å
633	E	88.2	Confident	93.9	Very high	114 Å²	114	35.6 Å²	35.6	53%	0.533	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.7	179.5	-163.9	61.1	-109.4	0	0	112.5	R591 E635 K636	R591-E633 IonicContact CZ-OE1 2.7Å; R591-E633 IonicContact CZ-OE2 3.89Å; R591-E633 VanDerWaalsContact NE-CD 3.35Å; R591-E633 IonicContact NE-OE1 3.81Å; R591-E633 IonicContact NE-OE2 3.55Å; R591-E633 PolarHBondContact NE-OE2 3.45Å; R591-E633 IonicContact NH2-OE1 3.57Å; R591-E633 PolarHBondContact NH2-OE1 2.98Å; R591-E633 IonicContact NH2-OE2 3.9Å; R591-E633 PolarHBondContact NH2-OE2 2.87Å; E633-E635 VanDerWaalsContact C-N 3.29Å; E633-E635 PolarHBondContact O-N 3.06Å; E633-K636 WeakPolarHBondContact O-CE 3.37Å; E633-K636 PolarHBondContact O-NZ 3.49Å; E633-K636 IonicContact OE1-NZ 3.95Å; E633-K636 PolarHBondContact OE1-NZ 3.16Å
634	S	92.6	Very high	94.2	Very high	109 Å²	109	34.6 Å²	34.6	76%	0.762	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.2	175	49.3	0	0	0	0	114	P632	P632-S634 VanDerWaalsContact C-N 3.27Å; P632-S634 PolarHBondContact O-N 3.47Å
635	E	94.3	Very high	94.5	Very high	50 Å²	50	33.1 Å²	33.1	23%	0.234	20%	0.195	C	C	.	.			trans	-94.4	114.4	-174.9	-69	178	-167.4	0	0	110.7	L631 P632 E633 P637 R718	L631-E635 HydrophobicContact CD1-CB 3.79Å; L631-E635 WeakPolarHBondContact CD1-OE2 3.07Å; L631-E635 HydrophobicContact CG-CB 4.41Å; P632-E635 HydrophobicContact CB-CB 4.4Å; P632-E635 HydrophobicContact CB-CG 4.09Å; P632-E635 VanDerWaalsContact CD-OE2 3.32Å; P632-E635 WeakPolarHBondContact CD-OE2 3.45Å; P632-E635 HydrophobicContact CG-CG 4.21Å; P632-E635 PolarHBondContact O-N 3.25Å; E633-E635 VanDerWaalsContact C-N 3.29Å; E633-E635 PolarHBondContact O-N 3.06Å; E635-P637 VanDerWaalsContact C-CD 3.42Å; E635-P637 WeakPolarHBondContact O-CD 3.34Å; E635-R718 IonicContact OE1-CZ 3.76Å; E635-R718 IonicContact OE1-NH1 3.19Å; E635-R718 PolarHBondContact OE1-NH1 3.4Å; E635-R718 VanDerWaalsContact OE2-CB 3.27Å; E635-R718 WeakPolarHBondContact OE2-CB 3.46Å; E635-R718 WeakPolarHBondContact OE2-CD 3.31Å; E635-R718 WeakPolarHBondContact OE2-CG 3.26Å; E635-R718 IonicContact OE2-CZ 3.33Å; E635-R718 IonicContact OE2-NE 3.55Å; E635-R718 IonicContact OE2-NH1 2.7Å
636	K	97	Very high	94.4	Very high	78 Å²	78	33.7 Å²	33.7	34%	0.339	20%	0.199	S	C	.	.			trans	-119.4	66.3	180	-57.8	-57.5	-179.8	-154.3	0	110.8	R591 E633 L638 A639 G662 A663	R591-K636 VanDerWaalsContact NH2-NZ 3.2Å; E633-K636 WeakPolarHBondContact O-CE 3.37Å; E633-K636 PolarHBondContact O-NZ 3.49Å; E633-K636 IonicContact OE1-NZ 3.95Å; E633-K636 PolarHBondContact OE1-NZ 3.16Å; K636-L638 PolarHBondContact O-N 3.27Å; K636-A639 HydrophobicContact CB-CB 4.07Å; K636-A639 VanDerWaalsContact O-CB 3.28Å; K636-A639 WeakPolarHBondContact O-CB 3.47Å; K636-A639 PolarHBondContact O-N 2.88Å; K636-G662 PolarHBondContact NZ-O 3.4Å; K636-A663 CarbonylContact C-O 3.53Å; K636-A663 WeakPolarHBondContact CA-O 3.44Å
637	P	97.3	Very high	94.2	Very high	18 Å²	18	35 Å²	35	12%	0.117	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.9	-172.4	25	-35.6	0	0	0	114.5	L631 E635 A663 R720	L631-P637 HydrophobicContact CD1-CG 4.28Å; L631-P637 HydrophobicContact CD2-CG 4.36Å; E635-P637 VanDerWaalsContact C-CD 3.42Å; E635-P637 WeakPolarHBondContact O-CD 3.34Å; P637-A663 WeakPolarHBondContact CD-O 3.33Å; P637-A663 HydrophobicContact CG-CB 4.19Å; P637-R720 WeakPolarHBondContact O-CB 3.39Å; P637-R720 PolarHBondContact O-N 3.06Å
638	L	97.7	Very high	93.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	18.9	177.3	-61.4	-178.2	0	0	0	113.3	K636 G640 C641 L643 A663 G664 A665 W710 L711 C714 R720	K636-L638 PolarHBondContact O-N 3.27Å; L638-G640 PolarHBondContact O-N 3.1Å; L638-C641 HydrophobicContact CB-CB 4.26Å; L638-C641 VanDerWaalsContact O-CB 3.22Å; L638-C641 WeakPolarHBondContact O-CB 3.48Å; L638-C641 PolarHBondContact O-N 3.3Å; L638-L643 HydrophobicContact CD1-CD1 4.27Å; L638-A663 HydrophobicContact CB-CB 4.3Å; L638-A663 HydrophobicContact CD1-CB 4.03Å; L638-A663 HydrophobicContact CG-CB 4.19Å; L638-A663 PolarHBondContact N-O 2.95Å; L638-G664 CarbonylContact O-C 3.14Å; L638-A665 HydrophobicContact CB-CB 3.83Å; L638-A665 HydrophobicContact CD1-CB 4.37Å; L638-A665 WeakPolarHBondContact O-CA 3.33Å; L638-W710 HydrophobicContact CD1-CZ3 4.3Å; L638-W710 HydrophobicContact CD2-CH2 3.59Å; L638-W710 HydrophobicContact CD2-CZ2 4.06Å; L638-W710 HydrophobicContact CD2-CZ3 4.11Å; L638-L711 HydrophobicContact CD1-CD1 3.51Å; L638-C714 HydrophobicContact CD1-CB 4.34Å; L638-C714 HydrophobicContact CD2-CB 3.85Å; L638-C714 HydrophobicContact CG-CB 4.15Å; L638-R720 HydrophobicContact CD2-CB 4.39Å; L638-R720 HydrophobicContact CD2-CG 4.03Å
639	A	96.7	Very high	93.1	Very high	62 Å²	62	38 Å²	38	51%	0.512	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	134.5	170.5	0	0	0	0	0	111.4	K636 C641 G664	K636-A639 HydrophobicContact CB-CB 4.07Å; K636-A639 VanDerWaalsContact O-CB 3.28Å; K636-A639 WeakPolarHBondContact O-CB 3.47Å; K636-A639 PolarHBondContact O-N 2.88Å; A639-C641 PolarHBondContact O-N 3.28Å; A639-G664 WeakPolarHBondContact CA-O 3.33Å
640	G	95.8	Very high	92.3	Very high	73 Å²	73	41.3 Å²	41.3	75%	0.753	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	-3.9	-176	0	0	0	0	0	115.5	L638	L638-G640 PolarHBondContact O-N 3.1Å
641	C	97.5	Very high	91.7	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.007	27%	0.268	C	S	.	.			trans	-83.5	142.8	172.9	-58.9	0	0	0	0	111.3	L638 A639 L643 A665 K666 T683	L638-C641 HydrophobicContact CB-CB 4.26Å; L638-C641 VanDerWaalsContact O-CB 3.22Å; L638-C641 WeakPolarHBondContact O-CB 3.48Å; L638-C641 PolarHBondContact O-N 3.3Å; A639-C641 PolarHBondContact O-N 3.28Å; C641-L643 HydrophobicContact CB-CD2 4.36Å; C641-A665 HydrophobicContact CB-CB 4.37Å; C641-A665 WeakPolarHBondContact O-CA 3.45Å; C641-K666 PolarHBondContact O-N 3.28Å; C641-T683 WeakPolarHBondContact CA-OG1 3.4Å
642	V	97.9	Very high	91.3	Very high	12 Å²	12	47 Å²	47	7%	0.073	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	108.8	173.4	-179.6	0	0	0	0	107.1	K666 Q668 L680 A681 T682 T683 H684	V642-K666 CarbonylContact C-O 3.3Å; V642-K666 WeakPolarHBondContact CA-O 3.03Å; V642-K666 HydrophobicContact CG2-CB 4.41Å; V642-Q668 HydrophobicContact CG1-CG 3.96Å; V642-L680 HydrophobicContact CG1-CB 4.01Å; V642-L680 HydrophobicContact CG2-CB 3.93Å; V642-L680 HydrophobicContact CG2-CD1 3.96Å; V642-A681 WeakPolarHBondContact CB-O 3.39Å; V642-T682 WeakPolarHBondContact O-CG2 3.29Å; V642-T683 HydrophobicContact CB-CG2 4.34Å; V642-T683 PolarHBondContact N-OG1 2.91Å; V642-T683 PolarHBondContact O-N 3.25Å; V642-T683 PolarHBondContact O-OG1 3.23Å; V642-H684 PolarHBondContact O-N 3.04Å
643	L	97.8	Very high	91.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.4	-176.8	-54.9	-172.5	0	0	0	111.1	L638 C641 F645 A660 A665 K666 V667 Q668 H684 I686 W710 L711	L638-L643 HydrophobicContact CD1-CD1 4.27Å; C641-L643 HydrophobicContact CB-CD2 4.36Å; L643-F645 HydrophobicContact CB-CE2 4.38Å; L643-F645 HydrophobicContact CD1-CZ 4.44Å; L643-A660 HydrophobicContact CD1-CB 3.77Å; L643-A665 HydrophobicContact CD1-CB 4.04Å; L643-A665 HydrophobicContact CG-CB 4Å; L643-K666 PolarHBondContact N-O 3.49Å; L643-V667 WeakPolarHBondContact O-CA 3.28Å; L643-Q668 PolarHBondContact O-N 2.94Å; L643-H684 WeakPolarHBondContact CA-O 3.43Å; L643-H684 HydrophobicContact CD2-CB 3.74Å; L643-I686 HydrophobicContact CD1-CG1 4.37Å; L643-W710 HydrophobicContact CD1-CZ3 4.29Å; L643-W710 HydrophobicContact CD2-CH2 4.22Å; L643-W710 HydrophobicContact CD2-CZ3 3.83Å; L643-L711 HydrophobicContact CD1-CD1 4.47Å
644	C	95.2	Very high	90.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.4	165.3	-176.7	0	0	0	0	108.9	Q668 L671 T682 H684 L685 I686 K694	C644-Q668 WeakPolarHBondContact CA-O 3.27Å; C644-L671 HydrophobicContact CB-CD1 4.41Å; C644-T682 HydrophobicContact CB-CG2 3.63Å; C644-H684 PolarHBondContact N-O 3.48Å; C644-H684 VanDerWaalsContact N-O 3.16Å; C644-L685 HydrophobicContact CB-CD1 4.04Å; C644-I686 PolarHBondContact O-N 3.16Å; C644-K694 PolarHBondContact SG-NZ 3.29Å
645	F	94	Very high	90.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	137.5	175	-70.4	-83	0	0	0	111.1	L643 F648 R653 L656 A660 V667 I686 K694 L711	L643-F645 HydrophobicContact CB-CE2 4.38Å; L643-F645 HydrophobicContact CD1-CZ 4.44Å; F645-F648 HydrophobicContact CB-CD2 4.19Å; F645-F648 AromaticContact CD1-CD2 3.94Å; F645-F648 HydrophobicContact CD1-CD2 3.94Å; F645-F648 HydrophobicContact CD1-CE2 4.09Å; F645-R653 PolarHBondContact O-NH2 3.23Å; F645-L656 HydrophobicContact CD1-CB 4.17Å; F645-L656 HydrophobicContact CD1-CD1 4.31Å; F645-L656 HydrophobicContact CE1-CB 3.64Å; F645-L656 HydrophobicContact CE1-CD1 4.29Å; F645-L656 HydrophobicContact CE1-CG 4.47Å; F645-L656 HydrophobicContact CZ-CB 3.94Å; F645-A660 HydrophobicContact CE2-CB 4.18Å; F645-A660 HydrophobicContact CZ-CB 4.05Å; F645-V667 HydrophobicContact CD2-CG1 3.69Å; F645-V667 HydrophobicContact CE2-CG1 3.73Å; F645-V667 HydrophobicContact CE2-CG2 4.03Å; F645-I686 WeakPolarHBondContact CA-O 3.42Å; F645-I686 HydrophobicContact CD1-CB 3.68Å; F645-I686 HydrophobicContact CD1-CG1 4.34Å; F645-I686 HydrophobicContact CD1-CG2 3.96Å; F645-I686 HydrophobicContact CE1-CB 3.69Å; F645-I686 HydrophobicContact CE1-CG1 3.95Å; F645-I686 HydrophobicContact CE1-CG2 3.8Å; F645-I686 HydrophobicContact CZ-CG1 4.44Å; F645-K694 PolarHBondContact O-NZ 3.36Å; F645-K694 VanDerWaalsContact O-NZ 3.07Å; F645-L711 HydrophobicContact CE1-CD2 4.21Å; F645-L711 HydrophobicContact CZ-CD2 3.96Å
646	S	90.5	Very high	90.7	Very high	16 Å²	16	40.2 Å²	40.2	11%	0.112	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.6	178.5	-169	0	0	0	0	111.3	F648 I686 L687	S646-F648 WeakPolarHBondContact O-CD2 3.48Å; S646-F648 VanDerWaalsContact O-CE2 3.29Å; S646-F648 WeakPolarHBondContact O-CE2 3.26Å; S646-F648 PolarHBondContact O-N 3.48Å; S646-F648 VanDerWaalsContact O-N 3.17Å; S646-I686 PolarHBondContact N-O 3.3Å; S646-L687 WeakPolarHBondContact O-CA 3.37Å
647	Q	89.5	Confident	90.5	Very high	50 Å²	50	37.5 Å²	37.5	23%	0.234	23%	0.229	C	C	.	.	S	Bend	trans	66.2	1.4	177.8	-51.5	160.1	16.4	0	0	117.1	H649 H688 S689 Q691	Q647-H649 PolarHBondContact O-CE1 3.32Å; Q647-H649 PolarHBondContact O-ND1 3.37Å; Q647-H688 HydrophobicContact CB-CB 4.06Å; Q647-S689 PolarHBondContact NE2-O 3.43Å; Q647-S689 PolarHBondContact OE1-O 2.92Å; Q647-S689 PolarHBondContact OE1-OG 3.5Å; Q647-Q691 PolarHBondContact NE2-O 2.91Å
648	F	86	Confident	90.2	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.035	25%	0.251	C	S	.	.			trans	-90.4	143.6	169.8	-54	-72.3	0	0	0	110.8	F645 S646 E652 R653 L656 I686 L687 H688 T708	F645-F648 HydrophobicContact CB-CD2 4.19Å; F645-F648 AromaticContact CD1-CD2 3.94Å; F645-F648 HydrophobicContact CD1-CD2 3.94Å; F645-F648 HydrophobicContact CD1-CE2 4.09Å; S646-F648 WeakPolarHBondContact O-CD2 3.48Å; S646-F648 VanDerWaalsContact O-CE2 3.29Å; S646-F648 WeakPolarHBondContact O-CE2 3.26Å; S646-F648 PolarHBondContact O-N 3.48Å; S646-F648 VanDerWaalsContact O-N 3.17Å; F648-E652 HydrophobicContact CB-CG 4.25Å; F648-E652 HydrophobicContact CD1-CG 4Å; F648-R653 HydrophobicContact CB-CB 4.08Å; F648-R653 HydrophobicContact CB-CG 4.31Å; F648-R653 WeakPolarHBondContact O-CD 3.47Å; F648-L656 HydrophobicContact CB-CD1 4.23Å; F648-L656 HydrophobicContact CD1-CD1 3.62Å; F648-L656 HydrophobicContact CD2-CD1 3.9Å; F648-L656 HydrophobicContact CE1-CD1 3.9Å; F648-L656 HydrophobicContact CE2-CD1 4.17Å; F648-L656 HydrophobicContact CG-CD1 3.61Å; F648-L656 HydrophobicContact CZ-CD1 4.18Å; F648-I686 HydrophobicContact CE2-CG2 4.06Å; F648-I686 HydrophobicContact CZ-CG2 4.38Å; F648-L687 VanDerWaalsContact CZ-C 3.47Å; F648-H688 HydrophobicContact CD1-CB 4.44Å; F648-H688 HydrophobicContact CE1-CB 3.83Å; F648-H688 HydrophobicContact CZ-CB 4.02Å; F648-T708 HydrophobicContact CE1-CG2 3.64Å; F648-T708 HydrophobicContact CE2-CG2 4.27Å; F648-T708 HydrophobicContact CZ-CG2 3.43Å; F648-T708 VanDerWaalsContact CZ-CG2 3.43Å
649	H	78.3	Confident	90.1	Very high	134 Å²	134	42.6 Å²	42.6	62%	0.62	25%	0.251	S	S	*	.			trans	-120.6	149.1	-172.4	-58.5	91.3	0	0	0	112.5	Q647 T651 E652 R653	Q647-H649 PolarHBondContact O-CE1 3.32Å; Q647-H649 PolarHBondContact O-ND1 3.37Å; H649-T651 PolarHBondContact O-N 3.02Å; H649-E652 PolarHBondContact O-N 2.73Å; H649-E652 VanDerWaalsContact O-N 3.07Å; H649-R653 PolarHBondContact O-N 3.07Å
650	S	75.4	Confident	90.1	Very high	87 Å²	87	39.7 Å²	39.7	61%	0.608	23%	0.227	S	C	*	.	H	α-helix	trans	41.1	-116.7	168.8	-53.3	0	0	0	0	114.2	E652 R653 I654	S650-E652 VanDerWaalsContact C-N 3.35Å; S650-E652 PolarHBondContact O-N 3.04Å; S650-R653 PolarHBondContact O-N 2.78Å; S650-I654 WeakPolarHBondContact O-CG1 3.34Å; S650-I654 PolarHBondContact O-N 2.97Å; S650-I654 VanDerWaalsContact O-N 3.14Å
651	T	79.2	Confident	90.1	Very high	94 Å²	94	41 Å²	41	58%	0.577	22%	0.216	S	C	*	.	H	α-helix	trans	-58.1	-40.3	-176.8	-44.8	0	0	0	0	113.6	H649 I654 A655	H649-T651 PolarHBondContact O-N 3.02Å; T651-I654 PolarHBondContact O-N 3.33Å; T651-A655 VanDerWaalsContact O-CB 3.25Å; T651-A655 WeakPolarHBondContact O-CB 3.47Å; T651-A655 PolarHBondContact O-N 3.5Å
652	E	84.7	Confident	89.9	Confident	64 Å²	64	41.6 Å²	41.6	30%	0.299	22%	0.222	S	C	.	.	H	α-helix	trans	-66.1	-43.8	-179.1	172.9	179.2	-132.5	0	0	110.7	L625 F648 H649 S650 I654 A655 L656	L625-E652 HydrophobicContact CD1-CB 3.89Å; L625-E652 HydrophobicContact CD1-CG 3.69Å; F648-E652 HydrophobicContact CB-CG 4.25Å; F648-E652 HydrophobicContact CD1-CG 4Å; H649-E652 PolarHBondContact O-N 2.73Å; H649-E652 VanDerWaalsContact O-N 3.07Å; S650-E652 VanDerWaalsContact C-N 3.35Å; S650-E652 PolarHBondContact O-N 3.04Å; E652-I654 PolarHBondContact O-N 2.7Å; E652-A655 WeakPolarHBondContact O-CB 3.44Å; E652-A655 PolarHBondContact O-N 3.03Å; E652-L656 HydrophobicContact CG-CD1 3.99Å; E652-L656 WeakPolarHBondContact O-CG 3.43Å; E652-L656 PolarHBondContact O-N 2.69Å
653	R	87.5	Confident	89.9	Confident	42 Å²	42	41 Å²	41	16%	0.158	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-43.2	177.8	-163.7	177.6	-165.5	-111.5	-16.2	112.3	F645 F648 H649 S650 S657 D669	F645-R653 PolarHBondContact O-NH2 3.23Å; F648-R653 HydrophobicContact CB-CB 4.08Å; F648-R653 HydrophobicContact CB-CG 4.31Å; F648-R653 WeakPolarHBondContact O-CD 3.47Å; H649-R653 PolarHBondContact O-N 3.07Å; S650-R653 PolarHBondContact O-N 2.78Å; R653-S657 VanDerWaalsContact O-CB 3.31Å; R653-S657 WeakPolarHBondContact O-CB 3.48Å; R653-S657 PolarHBondContact O-N 2.94Å; R653-S657 PolarHBondContact O-OG 3.31Å; R653-D669 IonicContact CZ-OD1 2.79Å; R653-D669 VanDerWaalsContact CZ-OD1 3.22Å; R653-D669 IonicContact CZ-OD2 3.69Å; R653-D669 IonicContact NH1-OD1 2.83Å; R653-D669 PolarHBondContact NH1-OD1 3.09Å; R653-D669 IonicContact NH1-OD2 3.03Å; R653-D669 PolarHBondContact NH1-OD2 3.15Å; R653-D669 IonicContact NH2-OD1 2.76Å; R653-D669 PolarHBondContact NH2-OD1 3.19Å; R653-D669 IonicContact NH2-OD2 3.51Å
654	I	85	Confident	89.8	Confident	101 Å²	101	42.2 Å²	42.2	52%	0.518	23%	0.23	S	C	.	.	H	α-helix	trans	-63.6	-46.9	176.4	-66.3	165.7	0	0	0	110.2	S650 T651 E652 S657 Q658	S650-I654 WeakPolarHBondContact O-CG1 3.34Å; S650-I654 PolarHBondContact O-N 2.97Å; S650-I654 VanDerWaalsContact O-N 3.14Å; T651-I654 PolarHBondContact O-N 3.33Å; E652-I654 PolarHBondContact O-N 2.7Å; I654-S657 PolarHBondContact O-N 2.71Å; I654-Q658 HydrophobicContact CG2-CG 4.45Å; I654-Q658 WeakPolarHBondContact O-CG 3.35Å; I654-Q658 PolarHBondContact O-N 2.83Å
655	A	87.9	Confident	90	Very high	5 Å²	5	42.5 Å²	42.5	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-51.6	179.5	0	0	0	0	0	112.6	L588 I606 L625 T651 E652 S657 Q658 M659	L588-A655 HydrophobicContact CD2-CB 3.61Å; I606-A655 HydrophobicContact CD1-CB 3.94Å; L625-A655 HydrophobicContact CD1-CB 3.74Å; L625-A655 HydrophobicContact CD2-CB 3.89Å; L625-A655 HydrophobicContact CG-CB 4.47Å; T651-A655 VanDerWaalsContact O-CB 3.25Å; T651-A655 WeakPolarHBondContact O-CB 3.47Å; T651-A655 PolarHBondContact O-N 3.5Å; E652-A655 WeakPolarHBondContact O-CB 3.44Å; E652-A655 PolarHBondContact O-N 3.03Å; A655-S657 VanDerWaalsContact C-N 3.31Å; A655-S657 PolarHBondContact O-N 3.33Å; A655-Q658 PolarHBondContact O-N 3.01Å; A655-M659 WeakPolarHBondContact O-CG 3.33Å; A655-M659 PolarHBondContact O-N 2.83Å
656	L	93.4	Very high	90.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-39.5	176.3	-67.7	170.7	0	0	0	112.1	L625 F645 F648 E652 M659 A660 T708 L711	L625-L656 HydrophobicContact CD2-CD2 3.93Å; L625-L656 HydrophobicContact CD2-CG 4.24Å; F645-L656 HydrophobicContact CD1-CB 4.17Å; F645-L656 HydrophobicContact CD1-CD1 4.31Å; F645-L656 HydrophobicContact CE1-CB 3.64Å; F645-L656 HydrophobicContact CE1-CD1 4.29Å; F645-L656 HydrophobicContact CE1-CG 4.47Å; F645-L656 HydrophobicContact CZ-CB 3.94Å; F648-L656 HydrophobicContact CB-CD1 4.23Å; F648-L656 HydrophobicContact CD1-CD1 3.62Å; F648-L656 HydrophobicContact CD2-CD1 3.9Å; F648-L656 HydrophobicContact CE1-CD1 3.9Å; F648-L656 HydrophobicContact CE2-CD1 4.17Å; F648-L656 HydrophobicContact CG-CD1 3.61Å; F648-L656 HydrophobicContact CZ-CD1 4.18Å; E652-L656 HydrophobicContact CG-CD1 3.99Å; E652-L656 WeakPolarHBondContact O-CG 3.43Å; E652-L656 PolarHBondContact O-N 2.69Å; L656-M659 HydrophobicContact CD2-CE 3.97Å; L656-M659 PolarHBondContact O-N 3.48Å; L656-A660 WeakPolarHBondContact O-CB 3.34Å; L656-A660 PolarHBondContact O-N 2.82Å; L656-T708 HydrophobicContact CD1-CG2 3.79Å; L656-T708 HydrophobicContact CD2-CG2 3.8Å; L656-T708 HydrophobicContact CG-CG2 4.48Å; L656-L711 HydrophobicContact CD2-CD2 4.36Å
657	S	93.6	Very high	90.3	Very high	20 Å²	20	49.7 Å²	49.7	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-41.7	177.3	-58	0	0	0	0	112.1	R653 I654 A655 A660 I661	R653-S657 VanDerWaalsContact O-CB 3.31Å; R653-S657 WeakPolarHBondContact O-CB 3.48Å; R653-S657 PolarHBondContact O-N 2.94Å; R653-S657 PolarHBondContact O-OG 3.31Å; I654-S657 PolarHBondContact O-N 2.71Å; A655-S657 VanDerWaalsContact C-N 3.31Å; A655-S657 PolarHBondContact O-N 3.33Å; S657-A660 PolarHBondContact O-N 3.2Å; S657-I661 WeakPolarHBondContact O-CB 3.47Å; S657-I661 VanDerWaalsContact O-CG1 3.26Å; S657-I661 WeakPolarHBondContact O-CG1 3.32Å; S657-I661 PolarHBondContact O-N 2.88Å
658	Q	90.9	Very high	90.5	Very high	125 Å²	125	48.6 Å²	48.6	58%	0.584	26%	0.26	S	S	*	.	H	α-helix	trans	-64.5	-40.6	175.9	-75.2	177.6	-17.8	0	0	112.2	I654 A655 G662	I654-Q658 HydrophobicContact CG2-CG 4.45Å; I654-Q658 WeakPolarHBondContact O-CG 3.35Å; I654-Q658 PolarHBondContact O-N 2.83Å; A655-Q658 PolarHBondContact O-N 3.01Å; Q658-G662 PolarHBondContact O-N 3.26Å
659	M	94.9	Very high	90.5	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-46.8	173.3	-66.7	-160.8	-37.9	0	0	111.6	L588 Y629 A655 L656 G662 A663 L711 V712 I715	L588-M659 HydrophobicContact CD1-SD 4.07Å; L588-M659 HydrophobicContact CD2-CG 3.66Å; L588-M659 HydrophobicContact CD2-SD 3.82Å; L588-M659 HydrophobicContact CG-CG 3.86Å; L588-M659 HydrophobicContact CG-SD 3.73Å; Y629-M659 HydrophobicContact CD2-SD 3.74Å; Y629-M659 HydrophobicContact CE2-SD 3.9Å; A655-M659 WeakPolarHBondContact O-CG 3.33Å; A655-M659 PolarHBondContact O-N 2.83Å; L656-M659 HydrophobicContact CD2-CE 3.97Å; L656-M659 PolarHBondContact O-N 3.48Å; M659-G662 PolarHBondContact O-N 3.31Å; M659-A663 VanDerWaalsContact O-CB 3.31Å; M659-A663 WeakPolarHBondContact O-CB 3.48Å; M659-A663 PolarHBondContact O-N 3.44Å; M659-L711 HydrophobicContact CB-CD2 4.37Å; M659-L711 HydrophobicContact CE-CD2 3.87Å; M659-L711 HydrophobicContact CE-CG 4.09Å; M659-V712 HydrophobicContact CE-CG2 4.14Å; M659-I715 HydrophobicContact CB-CD1 3.8Å; M659-I715 HydrophobicContact CE-CD1 4.41Å; M659-I715 HydrophobicContact SD-CD1 4.48Å
660	A	96.8	Very high	91	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-46.8	178.3	0	0	0	0	0	113.1	L643 F645 L656 S657 A663 G664 A665 V667 L711	L643-A660 HydrophobicContact CD1-CB 3.77Å; F645-A660 HydrophobicContact CE2-CB 4.18Å; F645-A660 HydrophobicContact CZ-CB 4.05Å; L656-A660 WeakPolarHBondContact O-CB 3.34Å; L656-A660 PolarHBondContact O-N 2.82Å; S657-A660 PolarHBondContact O-N 3.2Å; A660-A663 CarbonylContact O-C 3.6Å; A660-A663 PolarHBondContact O-N 2.87Å; A660-G664 PolarHBondContact O-N 2.96Å; A660-A665 HydrophobicContact CB-CB 4.26Å; A660-A665 VanDerWaalsContact O-CB 3.32Å; A660-A665 WeakPolarHBondContact O-CB 3.5Å; A660-A665 PolarHBondContact O-N 3.46Å; A660-V667 HydrophobicContact CB-CG2 3.57Å; A660-L711 HydrophobicContact CB-CD1 4.06Å; A660-L711 HydrophobicContact CB-CD2 4.27Å
661	I	95.8	Very high	91.7	Very high	102 Å²	102	42.6 Å²	42.6	52%	0.523	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-45.3	176.5	-67.8	164.9	0	0	0	110.5	S657 A663 G664 V667	S657-I661 WeakPolarHBondContact O-CB 3.47Å; S657-I661 VanDerWaalsContact O-CG1 3.26Å; S657-I661 WeakPolarHBondContact O-CG1 3.32Å; S657-I661 PolarHBondContact O-N 2.88Å; I661-A663 PolarHBondContact O-N 3.01Å; I661-G664 PolarHBondContact O-N 2.9Å; I661-V667 HydrophobicContact CD1-CB 4.45Å; I661-V667 HydrophobicContact CD1-CG2 4.41Å; I661-V667 HydrophobicContact CG1-CB 4.25Å; I661-V667 HydrophobicContact CG1-CG2 3.8Å
662	G	93.6	Very high	92.3	Very high	13 Å²	13	39.3 Å²	39.3	13%	0.134	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-29.9	177.3	0	0	0	0	0	113.7	R591 K636 Q658 M659 G664	R591-G662 PolarHBondContact NH2-O 3.33Å; K636-G662 PolarHBondContact NZ-O 3.4Å; Q658-G662 PolarHBondContact O-N 3.26Å; M659-G662 PolarHBondContact O-N 3.31Å; G662-G664 VanDerWaalsContact C-N 3.27Å; G662-G664 PolarHBondContact O-N 3.12Å
663	A	97.2	Very high	92.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-1.1	171.7	0	0	0	0	0	114.6	L631 K636 P637 L638 M659 A660 I661 I715	L631-A663 HydrophobicContact CD2-CB 4.13Å; K636-A663 CarbonylContact C-O 3.53Å; K636-A663 WeakPolarHBondContact CA-O 3.44Å; P637-A663 WeakPolarHBondContact CD-O 3.33Å; P637-A663 HydrophobicContact CG-CB 4.19Å; L638-A663 HydrophobicContact CB-CB 4.3Å; L638-A663 HydrophobicContact CD1-CB 4.03Å; L638-A663 HydrophobicContact CG-CB 4.19Å; L638-A663 PolarHBondContact N-O 2.95Å; M659-A663 VanDerWaalsContact O-CB 3.31Å; M659-A663 WeakPolarHBondContact O-CB 3.48Å; M659-A663 PolarHBondContact O-N 3.44Å; A660-A663 CarbonylContact O-C 3.6Å; A660-A663 PolarHBondContact O-N 2.87Å; I661-A663 PolarHBondContact O-N 3.01Å; A663-I715 HydrophobicContact CB-CD1 4.28Å; A663-I715 HydrophobicContact CB-CG1 3.87Å
664	G	97	Very high	92.7	Very high	24 Å²	24	47.4 Å²	47.4	25%	0.247	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	4.3	177.3	0	0	0	0	0	115.6	L638 A639 A660 I661 G662	L638-G664 CarbonylContact O-C 3.14Å; A639-G664 WeakPolarHBondContact CA-O 3.33Å; A660-G664 PolarHBondContact O-N 2.96Å; I661-G664 PolarHBondContact O-N 2.9Å; G662-G664 VanDerWaalsContact C-N 3.27Å; G662-G664 PolarHBondContact O-N 3.12Å
665	A	97.8	Very high	92.9	Very high	6 Å²	6	46.5 Å²	46.5	5%	0.05	24%	0.243	C	C	.	.			trans	-74.3	152.5	171.5	0	0	0	0	0	111.2	L638 C641 L643 A660	L638-A665 HydrophobicContact CB-CB 3.83Å; L638-A665 HydrophobicContact CD1-CB 4.37Å; L638-A665 WeakPolarHBondContact O-CA 3.33Å; C641-A665 HydrophobicContact CB-CB 4.37Å; C641-A665 WeakPolarHBondContact O-CA 3.45Å; L643-A665 HydrophobicContact CD1-CB 4.04Å; L643-A665 HydrophobicContact CG-CB 4Å; A660-A665 HydrophobicContact CB-CB 4.26Å; A660-A665 VanDerWaalsContact O-CB 3.32Å; A660-A665 WeakPolarHBondContact O-CB 3.5Å; A660-A665 PolarHBondContact O-N 3.46Å
666	K	97.1	Very high	92.5	Very high	130 Å²	130	53.2 Å²	53.2	57%	0.565	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	139.3	159.5	-64.2	-178.7	179.8	-179.1	0	108.3	C641 V642 L643 L680	C641-K666 PolarHBondContact O-N 3.28Å; V642-K666 CarbonylContact C-O 3.3Å; V642-K666 WeakPolarHBondContact CA-O 3.03Å; V642-K666 HydrophobicContact CG2-CB 4.41Å; L643-K666 PolarHBondContact N-O 3.49Å; K666-L680 HydrophobicContact CB-CD1 4.46Å; K666-L680 HydrophobicContact CD-CD1 3.32Å
667	V	95	Very high	92.1	Very high	37 Å²	37	60 Å²	60	22%	0.224	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.1	178.5	179.7	0	0	0	0	109.2	L643 F645 A660 I661	L643-V667 WeakPolarHBondContact O-CA 3.28Å; F645-V667 HydrophobicContact CD2-CG1 3.69Å; F645-V667 HydrophobicContact CE2-CG1 3.73Å; F645-V667 HydrophobicContact CE2-CG2 4.03Å; A660-V667 HydrophobicContact CB-CG2 3.57Å; I661-V667 HydrophobicContact CD1-CB 4.45Å; I661-V667 HydrophobicContact CD1-CG2 4.41Å; I661-V667 HydrophobicContact CG1-CB 4.25Å; I661-V667 HydrophobicContact CG1-CG2 3.8Å
668	Q	92.9	Very high	91.5	Very high	28 Å²	28	67 Å²	67	13%	0.131	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	153	177.2	61.5	-177.8	51.8	0	0	112.2	V642 L643 C644 V670 L680 T682	V642-Q668 HydrophobicContact CG1-CG 3.96Å; L643-Q668 PolarHBondContact O-N 2.94Å; C644-Q668 WeakPolarHBondContact CA-O 3.27Å; Q668-V670 WeakPolarHBondContact CG-O 3.44Å; Q668-V670 PolarHBondContact NE2-O 3.24Å; Q668-L680 PolarHBondContact NE2-O 3.38Å; Q668-L680 VanDerWaalsContact OE1-N 3.14Å; Q668-L680 PolarHBondContact OE1-O 3.07Å; Q668-T682 PolarHBondContact NE2-OG1 2.98Å
669	D	87	Confident	91.2	Very high	40 Å²	40	64 Å²	64	21%	0.214	33%	0.33	C	S	.	.	S	Bend	trans	-83.8	-22.3	-177.3	-81.4	8.7	0	0	0	113.6	V244 R653 K694	V244-D669 HydrophobicContact CG1-CB 4.46Å; R653-D669 IonicContact CZ-OD1 2.79Å; R653-D669 VanDerWaalsContact CZ-OD1 3.22Å; R653-D669 IonicContact CZ-OD2 3.69Å; R653-D669 IonicContact NH1-OD1 2.83Å; R653-D669 PolarHBondContact NH1-OD1 3.09Å; R653-D669 IonicContact NH1-OD2 3.03Å; R653-D669 PolarHBondContact NH1-OD2 3.15Å; R653-D669 IonicContact NH2-OD1 2.76Å; R653-D669 PolarHBondContact NH2-OD1 3.19Å; R653-D669 IonicContact NH2-OD2 3.51Å; D669-K694 WeakPolarHBondContact O-CE 3.01Å; D669-K694 PolarHBondContact O-NZ 3.06Å
670	V	87.7	Confident	91	Very high	43 Å²	43	66.5 Å²	66.5	26%	0.261	34%	0.344	S	S	.	.	S	Bend	trans	-93.8	127.6	179.7	-176.8	0	0	0	0	109.6	V244 Q668 I679	V244-V670 HydrophobicContact CG1-CG2 4.41Å; V244-V670 HydrophobicContact CG2-CG2 4.13Å; Q668-V670 WeakPolarHBondContact CG-O 3.44Å; Q668-V670 PolarHBondContact NE2-O 3.24Å; V670-I679 HydrophobicContact CB-CD1 4.4Å; V670-I679 HydrophobicContact CB-CG2 4.39Å; V670-I679 HydrophobicContact CG1-CD1 4.35Å; V670-I679 HydrophobicContact CG1-CG2 4.42Å; V670-I679 HydrophobicContact CG2-CD1 4.29Å
671	L	91.5	Very high	90.9	Very high	20 Å²	20	67.9 Å²	67.9	11%	0.105	36%	0.355	C	S	.	.			trans	-77.3	120.7	164.6	179	75.1	0	0	0	107.9	C644 T682 L685 K694 A698 W701	C644-L671 HydrophobicContact CB-CD1 4.41Å; L671-T682 HydrophobicContact CD1-CG2 3.81Å; L671-L685 HydrophobicContact CD1-CB 4.41Å; L671-L685 HydrophobicContact CD1-CD1 4.32Å; L671-K694 HydrophobicContact CB-CG 4.27Å; L671-K694 HydrophobicContact CD2-CB 4.28Å; L671-K694 WeakPolarHBondContact CD2-O 3.46Å; L671-A698 HydrophobicContact CD1-CB 4.24Å; L671-A698 HydrophobicContact CD2-CB 3.94Å; L671-W701 HydrophobicContact CD2-CE3 4.14Å; L671-W701 HydrophobicContact CD2-CZ3 3.88Å; L671-W701 HydrophobicContact CG-CE3 4.15Å; L671-W701 HydrophobicContact CG-CZ3 3.76Å
672	S	91.7	Very high	91	Very high	25 Å²	25	63.4 Å²	63.4	18%	0.175	33%	0.332	C	S	.	.			trans	-130.2	139.6	178.8	-171.4	0	0	0	0	112	F674 T682	S672-F674 PolarHBondContact OG-N 3.19Å; S672-F674 PolarHBondContact OG-O 2.95Å; S672-T682 PolarHBondContact N-OG1 3.25Å; S672-T682 PolarHBondContact O-N 3.44Å; S672-T682 PolarHBondContact O-OG1 3.34Å
673	R	90.3	Very high	91.1	Very high	140 Å²	140	65.3 Å²	65.3	53%	0.528	34%	0.341	S	S	.	.	S	Bend	trans	-78.2	-29.2	173.1	-171.2	176.1	-178.8	-166.8	0.4	113	W701	R673-W701 HydrophobicContact CB-CD2 3.82Å; R673-W701 HydrophobicContact CB-CE3 3.78Å; R673-W701 HydrophobicContact CB-CG 4.21Å; R673-W701 HydrophobicContact CB-CZ3 4.19Å; R673-W701 HydrophobicContact CG-CB 4.35Å; R673-W701 HydrophobicContact CG-CD2 4.3Å; R673-W701 HydrophobicContact CG-CG 4.16Å
674	F	89	Confident	91.1	Very high	136 Å²	136	66 Å²	66	60%	0.596	35%	0.345	S	S	*	.	S	Bend	trans	-130	147.9	-173.3	-56.8	-67.7	0	0	0	110.5	S672 K676	S672-F674 PolarHBondContact OG-N 3.19Å; S672-F674 PolarHBondContact OG-O 2.95Å; F674-K676 PolarHBondContact O-N 3.17Å
675	S	89.2	Confident	91.1	Very high	82 Å²	82	64.9 Å²	64.9	57%	0.573	33%	0.333	S	S	*	.			trans	-74.3	120.9	168.6	-60.6	0	0	0	0	108.7	I679 A681	S675-I679 CarbonylContact C-O 3.51Å; S675-I679 WeakPolarHBondContact CA-O 3.47Å; S675-A681 PolarHBondContact OG-N 2.85Å
676	K	80.1	Confident	91.1	Very high	146 Å²	146	64.6 Å²	64.6	64%	0.635	33%	0.33	S	S	*	.	B	Isolated β-bridge	trans	-149.4	135.3	175.5	-173.6	179.4	173.7	177.2	0	109.3	F674 N678 I679	F674-K676 PolarHBondContact O-N 3.17Å; K676-N678 PolarHBondContact O-N 2.76Å; K676-I679 PolarHBondContact N-O 3.26Å; K676-I679 PolarHBondContact O-N 2.7Å; K676-I679 VanDerWaalsContact O-O 3.07Å
677	D	84.7	Confident	91	Very high	142 Å²	142	58.4 Å²	58.4	76%	0.759	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-136.5	-175.5	-46	-41.9	0	0	0	110.1	I679	D677-I679 PolarHBondContact O-N 3.32Å
678	N	82.4	Confident	90.7	Very high	167 Å²	167	62.7 Å²	62.7	89%	0.893	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	13.1	176.3	-71	-27.5	0	0	0	114.3	K676	K676-N678 PolarHBondContact O-N 2.76Å
679	I	83.8	Confident	90.5	Very high	62 Å²	62	62.5 Å²	62.5	32%	0.318	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-110.5	127	179.3	-57.5	176	0	0	0	108.9	V670 S675 K676 D677	V670-I679 HydrophobicContact CB-CD1 4.4Å; V670-I679 HydrophobicContact CB-CG2 4.39Å; V670-I679 HydrophobicContact CG1-CD1 4.35Å; V670-I679 HydrophobicContact CG1-CG2 4.42Å; V670-I679 HydrophobicContact CG2-CD1 4.29Å; S675-I679 CarbonylContact C-O 3.51Å; S675-I679 WeakPolarHBondContact CA-O 3.47Å; K676-I679 PolarHBondContact N-O 3.26Å; K676-I679 PolarHBondContact O-N 2.7Å; K676-I679 VanDerWaalsContact O-O 3.07Å; D677-I679 PolarHBondContact O-N 3.32Å
680	L	90.9	Very high	90.8	Very high	54 Å²	54	63.6 Å²	63.6	28%	0.283	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-93	155.6	179.1	-60.2	173.9	0	0	0	111.1	V642 K666 Q668 T682	V642-L680 HydrophobicContact CG1-CB 4.01Å; V642-L680 HydrophobicContact CG2-CB 3.93Å; V642-L680 HydrophobicContact CG2-CD1 3.96Å; K666-L680 HydrophobicContact CB-CD1 4.46Å; K666-L680 HydrophobicContact CD-CD1 3.32Å; Q668-L680 PolarHBondContact NE2-O 3.38Å; Q668-L680 VanDerWaalsContact OE1-N 3.14Å; Q668-L680 PolarHBondContact OE1-O 3.07Å; L680-T682 PolarHBondContact O-N 2.93Å
681	A	94.5	Very high	90.8	Very high	29 Å²	29	67.4 Å²	67.4	24%	0.24	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-58.2	124	166	0	0	0	0	0	109.5	V642 S675	V642-A681 WeakPolarHBondContact CB-O 3.39Å; S675-A681 PolarHBondContact OG-N 2.85Å
682	T	97	Very high	90.6	Very high	8 Å²	8	68.1 Å²	68.1	5%	0.049	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-73.9	126.3	178.9	-52.5	0	0	0	0	109.5	V642 C644 Q668 L671 S672 L680 H684 V703	V642-T682 WeakPolarHBondContact O-CG2 3.29Å; C644-T682 HydrophobicContact CB-CG2 3.63Å; Q668-T682 PolarHBondContact NE2-OG1 2.98Å; L671-T682 HydrophobicContact CD1-CG2 3.81Å; S672-T682 PolarHBondContact N-OG1 3.25Å; S672-T682 PolarHBondContact O-N 3.44Å; S672-T682 PolarHBondContact O-OG1 3.34Å; L680-T682 PolarHBondContact O-N 2.93Å; T682-H684 VanDerWaalsContact CG2-O 3.28Å; T682-H684 WeakPolarHBondContact CG2-O 3.16Å; T682-V703 HydrophobicContact CG2-CG1 4.47Å
683	T	97	Very high	90.4	Very high	52 Å²	52	72.2 Å²	72.2	32%	0.319	38%	0.379	S	S	.	.	S	Bend	trans	-92.7	-28.1	-179.9	67.4	0	0	0	0	113	C641 V642 P704	C641-T683 WeakPolarHBondContact CA-OG1 3.4Å; V642-T683 HydrophobicContact CB-CG2 4.34Å; V642-T683 PolarHBondContact N-OG1 2.91Å; V642-T683 PolarHBondContact O-N 3.25Å; V642-T683 PolarHBondContact O-OG1 3.23Å; T683-P704 WeakPolarHBondContact O-CD 3.32Å
684	H	97.6	Very high	90.5	Very high	15 Å²	15	68.3 Å²	68.3	7%	0.069	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	142.8	172.8	-43	70.5	0	0	0	110.5	V642 L643 C644 T682 L706 W710	V642-H684 PolarHBondContact O-N 3.04Å; L643-H684 WeakPolarHBondContact CA-O 3.43Å; L643-H684 HydrophobicContact CD2-CB 3.74Å; C644-H684 PolarHBondContact N-O 3.48Å; C644-H684 VanDerWaalsContact N-O 3.16Å; T682-H684 VanDerWaalsContact CG2-O 3.28Å; T682-H684 WeakPolarHBondContact CG2-O 3.16Å; H684-L706 HydrophobicContact CB-CD1 4.39Å; H684-W710 AromaticContact CD2-CH2 3.83Å; H684-W710 AromaticContact CD2-CZ2 3.83Å; H684-W710 AromaticContact CE1-CH2 3.87Å; H684-W710 AromaticContact CG-CH2 3.89Å; H684-W710 AromaticContact ND1-CH2 3.89Å; H684-W710 AromaticContact NE2-CH2 3.83Å; H684-W710 AromaticContact NE2-CZ2 3.66Å
685	L	97.1	Very high	90.7	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120	170.4	177	69.9	0	0	0	108.6	C644 L671 L687 K694 A698 V703 P704 C705 L706	C644-L685 HydrophobicContact CB-CD1 4.04Å; L671-L685 HydrophobicContact CD1-CB 4.41Å; L671-L685 HydrophobicContact CD1-CD1 4.32Å; L685-L687 HydrophobicContact CD2-CD1 4.21Å; L685-L687 HydrophobicContact CD2-CD2 4.35Å; L685-L687 HydrophobicContact CG-CD2 4.24Å; L685-K694 HydrophobicContact CD1-CB 4.22Å; L685-K694 HydrophobicContact CD1-CD 4.38Å; L685-K694 HydrophobicContact CD2-CB 4.17Å; L685-A698 HydrophobicContact CB-CB 4.12Å; L685-A698 HydrophobicContact CD2-CB 3.62Å; L685-A698 HydrophobicContact CG-CB 4.49Å; L685-V703 HydrophobicContact CB-CG1 4.45Å; L685-P704 PolarHBondContact N-O 3.39Å; L685-C705 CarbonylContact O-C 3.43Å; L685-C705 WeakPolarHBondContact O-CA 3.24Å; L685-L706 PolarHBondContact O-N 2.81Å
686	I	96.4	Very high	90.9	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.4	171.4	-47.5	-56.6	0	0	0	108.6	L643 C644 F645 S646 F648 L706 T708 W710	L643-I686 HydrophobicContact CD1-CG1 4.37Å; C644-I686 PolarHBondContact O-N 3.16Å; F645-I686 WeakPolarHBondContact CA-O 3.42Å; F645-I686 HydrophobicContact CD1-CB 3.68Å; F645-I686 HydrophobicContact CD1-CG1 4.34Å; F645-I686 HydrophobicContact CD1-CG2 3.96Å; F645-I686 HydrophobicContact CE1-CB 3.69Å; F645-I686 HydrophobicContact CE1-CG1 3.95Å; F645-I686 HydrophobicContact CE1-CG2 3.8Å; F645-I686 HydrophobicContact CZ-CG1 4.44Å; S646-I686 PolarHBondContact N-O 3.3Å; F648-I686 HydrophobicContact CE2-CG2 4.06Å; F648-I686 HydrophobicContact CZ-CG2 4.38Å; I686-L706 WeakPolarHBondContact CA-O 3.41Å; I686-L706 HydrophobicContact CD1-CB 3.98Å; I686-L706 HydrophobicContact CD1-CD1 4.44Å; I686-T708 HydrophobicContact CG2-CG2 4.16Å; I686-W710 HydrophobicContact CD1-CE3 3.78Å; I686-W710 HydrophobicContact CD1-CZ3 4.12Å
687	L	94.5	Very high	91.5	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	155.4	-174.8	69.9	171.8	0	0	0	112.8	S646 F648 L685 S689 Y695 C705 L706 F728	S646-L687 WeakPolarHBondContact O-CA 3.37Å; F648-L687 VanDerWaalsContact CZ-C 3.47Å; L685-L687 HydrophobicContact CD2-CD1 4.21Å; L685-L687 HydrophobicContact CD2-CD2 4.35Å; L685-L687 HydrophobicContact CG-CD2 4.24Å; L687-S689 VanDerWaalsContact CD1-O 3.24Å; L687-S689 WeakPolarHBondContact CD1-O 3.28Å; L687-Y695 HydrophobicContact CD1-CD2 3.52Å; L687-Y695 HydrophobicContact CD1-CE2 4.46Å; L687-Y695 HydrophobicContact CD1-CG 3.9Å; L687-C705 HydrophobicContact CD2-CB 3.86Å; L687-L706 PolarHBondContact N-O 3.2Å; L687-F728 HydrophobicContact CD2-CD2 3.74Å; L687-F728 HydrophobicContact CD2-CE2 3.61Å; L687-F728 HydrophobicContact CG-CD2 4.05Å; L687-F728 HydrophobicContact CG-CE2 3.67Å; L687-F728 WeakPolarHBondContact O-CE2 3.32Å; L687-F728 WeakPolarHBondContact O-CZ 3.37Å
688	H	89.2	Confident	91.9	Very high	127 Å²	127	54.9 Å²	54.9	59%	0.588	29%	0.29	S	S	*	.	S	Bend	trans	-79.8	-37	-178.1	-174.6	77.3	0	0	0	112.9	Q647 F648 F728	Q647-H688 HydrophobicContact CB-CB 4.06Å; F648-H688 HydrophobicContact CD1-CB 4.44Å; F648-H688 HydrophobicContact CE1-CB 3.83Å; F648-H688 HydrophobicContact CZ-CB 4.02Å; H688-F728 WeakPolarHBondContact O-CZ 3.46Å
689	S	89.9	Confident	92.5	Very high	24 Å²	24	50 Å²	50	17%	0.168	27%	0.266	C	S	.	.	S	Bend	trans	-147.5	153.3	-177.7	59.6	0	0	0	0	111.2	Q647 L687 Q691	Q647-S689 PolarHBondContact NE2-O 3.43Å; Q647-S689 PolarHBondContact OE1-O 2.92Å; Q647-S689 PolarHBondContact OE1-OG 3.5Å; L687-S689 VanDerWaalsContact CD1-O 3.24Å; L687-S689 WeakPolarHBondContact CD1-O 3.28Å; S689-Q691 VanDerWaalsContact C-N 3.26Å; S689-Q691 PolarHBondContact O-N 3.12Å; S689-Q691 WeakPolarHBondContact OG-CG 3.38Å; S689-Q691 PolarHBondContact OG-NE2 3.47Å
690	P	91.8	Very high	93	Very high	63 Å²	63	56.6 Å²	56.6	41%	0.409	29%	0.287	S	S	.	.	S	Bend	trans	-78.8	64.1	-171.6	31.4	-34.3	0	0	0	113.5	Y695 F728	P690-Y695 HydrophobicContact CB-CD1 4.44Å; P690-Y695 HydrophobicContact CB-CD2 4.48Å; P690-Y695 HydrophobicContact CB-CE1 3.89Å; P690-Y695 HydrophobicContact CB-CE2 3.93Å; P690-Y695 VanDerWaalsContact O-CD1 3.32Å; P690-Y695 WeakPolarHBondContact O-CD1 3.35Å; P690-Y695 VanDerWaalsContact O-CE1 3.26Å; P690-Y695 WeakPolarHBondContact O-CE1 3.22Å; P690-F728 HydrophobicContact CB-CB 3.75Å; P690-F728 HydrophobicContact CB-CD1 4.06Å; P690-F728 HydrophobicContact CB-CG 3.96Å; P690-F728 HydrophobicContact CG-CB 4.36Å; P690-F728 HydrophobicContact CG-CD1 3.96Å; P690-F728 HydrophobicContact CG-CG 4.36Å
691	Q	88.4	Confident	93.1	Very high	122 Å²	122	57.8 Å²	57.8	57%	0.57	29%	0.288	S	S	*	.			trans	-151.5	171.3	-174.6	57.9	175.9	-15	0	0	114	Q647 S689 Y695	Q647-Q691 PolarHBondContact NE2-O 2.91Å; S689-Q691 VanDerWaalsContact C-N 3.26Å; S689-Q691 PolarHBondContact O-N 3.12Å; S689-Q691 WeakPolarHBondContact OG-CG 3.38Å; S689-Q691 PolarHBondContact OG-NE2 3.47Å; Q691-Y695 WeakPolarHBondContact O-CB 3.27Å
692	G	86.5	Confident	93.1	Very high	35 Å²	35	63.6 Å²	63.6	36%	0.361	32%	0.315	S	S	.	.	H	α-helix	trans	79.6	169.6	-178.8	0	0	0	0	0	113.9	K694 Y695 R696	G692-K694 PolarHBondContact O-N 3.45Å; G692-Y695 WeakPolarHBondContact O-CB 3.23Å; G692-Y695 PolarHBondContact O-N 2.84Å; G692-Y695 VanDerWaalsContact O-N 3.16Å; G692-R696 PolarHBondContact O-N 3.46Å; G692-R696 VanDerWaalsContact O-N 3.14Å
693	D	88.4	Confident	93	Very high	112 Å²	112	64 Å²	64	60%	0.599	32%	0.317	S	S	*	.	H	α-helix	trans	-70.8	-32.2	-165.8	-57.1	-42.6	0	0	0	113.2	Y695 R696 S697	D693-Y695 PolarHBondContact O-N 2.83Å; D693-R696 PolarHBondContact O-N 3.12Å; D693-R696 IonicContact OD1-NH1 3.28Å; D693-R696 PolarHBondContact OD1-NH1 3.36Å; D693-S697 VanDerWaalsContact O-CB 3.32Å; D693-S697 WeakPolarHBondContact O-CB 3.41Å; D693-S697 PolarHBondContact O-N 2.72Å; D693-S697 PolarHBondContact O-OG 3.38Å; D693-S697 VanDerWaalsContact O-OG 3.07Å
694	K	91.3	Very high	92.9	Very high	57 Å²	57	63.1 Å²	63.1	25%	0.248	31%	0.312	C	S	.	.	H	α-helix	trans	-58.4	-44.8	170.9	-75.3	-175.7	173.6	-173	0	111.8	C644 F645 D669 L671 L685 G692 S697 A698	C644-K694 PolarHBondContact SG-NZ 3.29Å; F645-K694 PolarHBondContact O-NZ 3.36Å; F645-K694 VanDerWaalsContact O-NZ 3.07Å; D669-K694 WeakPolarHBondContact O-CE 3.01Å; D669-K694 PolarHBondContact O-NZ 3.06Å; L671-K694 HydrophobicContact CB-CG 4.27Å; L671-K694 HydrophobicContact CD2-CB 4.28Å; L671-K694 WeakPolarHBondContact CD2-O 3.46Å; L685-K694 HydrophobicContact CD1-CB 4.22Å; L685-K694 HydrophobicContact CD1-CD 4.38Å; L685-K694 HydrophobicContact CD2-CB 4.17Å; G692-K694 PolarHBondContact O-N 3.45Å; K694-S697 PolarHBondContact O-N 2.84Å; K694-A698 VanDerWaalsContact O-CB 3.24Å; K694-A698 WeakPolarHBondContact O-CB 3.5Å; K694-A698 PolarHBondContact O-N 2.86Å
695	Y	94.3	Very high	92.9	Very high	26 Å²	26	62.9 Å²	62.9	10%	0.102	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-51.4	177.3	174.3	-111.5	0	0	0	111.1	L687 P690 Q691 G692 D693 S697 A698 V699 C705	L687-Y695 HydrophobicContact CD1-CD2 3.52Å; L687-Y695 HydrophobicContact CD1-CE2 4.46Å; L687-Y695 HydrophobicContact CD1-CG 3.9Å; P690-Y695 HydrophobicContact CB-CD1 4.44Å; P690-Y695 HydrophobicContact CB-CD2 4.48Å; P690-Y695 HydrophobicContact CB-CE1 3.89Å; P690-Y695 HydrophobicContact CB-CE2 3.93Å; P690-Y695 VanDerWaalsContact O-CD1 3.32Å; P690-Y695 WeakPolarHBondContact O-CD1 3.35Å; P690-Y695 VanDerWaalsContact O-CE1 3.26Å; P690-Y695 WeakPolarHBondContact O-CE1 3.22Å; Q691-Y695 WeakPolarHBondContact O-CB 3.27Å; G692-Y695 WeakPolarHBondContact O-CB 3.23Å; G692-Y695 PolarHBondContact O-N 2.84Å; G692-Y695 VanDerWaalsContact O-N 3.16Å; D693-Y695 PolarHBondContact O-N 2.83Å; Y695-S697 VanDerWaalsContact C-N 3.29Å; Y695-S697 PolarHBondContact O-N 2.85Å; Y695-A698 PolarHBondContact O-N 3Å; Y695-A698 VanDerWaalsContact O-N 3.13Å; Y695-V699 HydrophobicContact CD2-CG2 3.99Å; Y695-V699 HydrophobicContact CE1-CG2 4.19Å; Y695-V699 HydrophobicContact CE2-CG2 3.61Å; Y695-V699 HydrophobicContact CG-CG2 4.46Å; Y695-V699 WeakPolarHBondContact O-CG2 3.49Å; Y695-V699 PolarHBondContact O-N 3.38Å; Y695-C705 HydrophobicContact CD2-CB 3.82Å; Y695-C705 HydrophobicContact CE2-CB 3.79Å
696	R	93.5	Very high	92.9	Very high	162 Å²	162	62.9 Å²	62.9	61%	0.611	31%	0.312	S	S	*	.	H	α-helix	trans	-56.8	-40.6	178.4	-67.2	170.8	173.8	165.3	-6.6	112.7	G692 D693 R700	G692-R696 PolarHBondContact O-N 3.46Å; G692-R696 VanDerWaalsContact O-N 3.14Å; D693-R696 PolarHBondContact O-N 3.12Å; D693-R696 IonicContact OD1-NH1 3.28Å; D693-R696 PolarHBondContact OD1-NH1 3.36Å; R696-R700 WeakPolarHBondContact O-CB 3.32Å; R696-R700 PolarHBondContact O-N 3.19Å
697	S	92.1	Very high	92.8	Very high	36 Å²	36	65.1 Å²	65.1	25%	0.252	32%	0.324	S	S	.	.	H	α-helix	trans	-69.9	-43.5	175.8	-66.9	0	0	0	0	112.3	D693 K694 Y695 R700 W701	D693-S697 VanDerWaalsContact O-CB 3.32Å; D693-S697 WeakPolarHBondContact O-CB 3.41Å; D693-S697 PolarHBondContact O-N 2.72Å; D693-S697 PolarHBondContact O-OG 3.38Å; D693-S697 VanDerWaalsContact O-OG 3.07Å; K694-S697 PolarHBondContact O-N 2.84Å; Y695-S697 VanDerWaalsContact C-N 3.29Å; Y695-S697 PolarHBondContact O-N 2.85Å; S697-R700 PolarHBondContact O-N 3.39Å; S697-W701 WeakPolarHBondContact O-CB 3.49Å; S697-W701 VanDerWaalsContact O-CD2 3.31Å; S697-W701 PolarHBondContact O-N 3.26Å
698	A	94.5	Very high	92.7	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-44.9	179.5	0	0	0	0	0	112	L671 L685 K694 Y695 R700 W701 N702 V703 C705	L671-A698 HydrophobicContact CD1-CB 4.24Å; L671-A698 HydrophobicContact CD2-CB 3.94Å; L685-A698 HydrophobicContact CB-CB 4.12Å; L685-A698 HydrophobicContact CD2-CB 3.62Å; L685-A698 HydrophobicContact CG-CB 4.49Å; K694-A698 VanDerWaalsContact O-CB 3.24Å; K694-A698 WeakPolarHBondContact O-CB 3.5Å; K694-A698 PolarHBondContact O-N 2.86Å; Y695-A698 PolarHBondContact O-N 3Å; Y695-A698 VanDerWaalsContact O-N 3.13Å; A698-R700 PolarHBondContact O-N 3.31Å; A698-W701 CarbonylContact O-C 3.56Å; A698-W701 PolarHBondContact O-N 2.91Å; A698-N702 PolarHBondContact O-N 3.22Å; A698-V703 HydrophobicContact CB-CB 4Å; A698-V703 HydrophobicContact CB-CG1 4.37Å; A698-V703 PolarHBondContact O-N 3.46Å; A698-C705 WeakPolarHBondContact CB-SG 3.34Å
699	V	93.9	Very high	92.9	Very high	64 Å²	64	62.6 Å²	62.6	39%	0.388	32%	0.32	S	S	.	.	H	α-helix	trans	-56.2	-48.9	171.7	172.7	0	0	0	0	110.8	Y695 W701 N702	Y695-V699 HydrophobicContact CD2-CG2 3.99Å; Y695-V699 HydrophobicContact CE1-CG2 4.19Å; Y695-V699 HydrophobicContact CE2-CG2 3.61Å; Y695-V699 HydrophobicContact CG-CG2 4.46Å; Y695-V699 WeakPolarHBondContact O-CG2 3.49Å; Y695-V699 PolarHBondContact O-N 3.38Å; V699-W701 PolarHBondContact O-N 2.7Å; V699-N702 PolarHBondContact O-N 3.05Å; V699-N702 VanDerWaalsContact O-N 3.11Å
700	R	93.6	Very high	93.1	Very high	202 Å²	202	61.5 Å²	61.5	76%	0.762	31%	0.312	S	S	*	.	H	α-helix	trans	-61.5	-26.3	176.7	-170.9	-175.4	-62.9	-179.5	-0.2	113.5	R696 S697 A698	R696-R700 WeakPolarHBondContact O-CB 3.32Å; R696-R700 PolarHBondContact O-N 3.19Å; S697-R700 PolarHBondContact O-N 3.39Å; A698-R700 PolarHBondContact O-N 3.31Å
701	W	93.3	Very high	93.4	Very high	79 Å²	79	58.5 Å²	58.5	30%	0.299	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	4.7	-179.8	-58.8	-16.1	0	0	0	113.3	L671 R673 S697 A698 V699 V703	L671-W701 HydrophobicContact CD2-CE3 4.14Å; L671-W701 HydrophobicContact CD2-CZ3 3.88Å; L671-W701 HydrophobicContact CG-CE3 4.15Å; L671-W701 HydrophobicContact CG-CZ3 3.76Å; R673-W701 HydrophobicContact CB-CD2 3.82Å; R673-W701 HydrophobicContact CB-CE3 3.78Å; R673-W701 HydrophobicContact CB-CG 4.21Å; R673-W701 HydrophobicContact CB-CZ3 4.19Å; R673-W701 HydrophobicContact CG-CB 4.35Å; R673-W701 HydrophobicContact CG-CD2 4.3Å; R673-W701 HydrophobicContact CG-CG 4.16Å; S697-W701 WeakPolarHBondContact O-CB 3.49Å; S697-W701 VanDerWaalsContact O-CD2 3.31Å; S697-W701 PolarHBondContact O-N 3.26Å; A698-W701 CarbonylContact O-C 3.56Å; A698-W701 PolarHBondContact O-N 2.91Å; V699-W701 PolarHBondContact O-N 2.7Å; W701-V703 HydrophobicContact CB-CG2 4.07Å; W701-V703 PolarHBondContact O-N 3.28Å
702	N	94.3	Very high	93.6	Very high	151 Å²	151	53 Å²	53	81%	0.807	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	37.3	-173.6	-157.3	31.7	0	0	0	113.4	A698 V699	A698-N702 PolarHBondContact O-N 3.22Å; V699-N702 PolarHBondContact O-N 3.05Å; V699-N702 VanDerWaalsContact O-N 3.11Å
703	V	95.3	Very high	94	Very high	17 Å²	17	53 Å²	53	10%	0.103	26%	0.259	C	S	.	.			trans	-90.9	120.8	173	175.4	0	0	0	0	108.2	T682 L685 A698 W701 C705	T682-V703 HydrophobicContact CG2-CG1 4.47Å; L685-V703 HydrophobicContact CB-CG1 4.45Å; A698-V703 HydrophobicContact CB-CB 4Å; A698-V703 HydrophobicContact CB-CG1 4.37Å; A698-V703 PolarHBondContact O-N 3.46Å; W701-V703 HydrophobicContact CB-CG2 4.07Å; W701-V703 PolarHBondContact O-N 3.28Å; V703-C705 PolarHBondContact O-N 3.14Å; V703-C705 PolarHBondContact O-SG 3.16Å
704	P	95.9	Very high	94.4	Very high	33 Å²	33	47.7 Å²	47.7	21%	0.214	23%	0.231	C	C	.	.			trans	-49.6	126	177.7	-31	35.6	0	0	0	113.1	T683 L685 L706	T683-P704 WeakPolarHBondContact O-CD 3.32Å; L685-P704 PolarHBondContact N-O 3.39Å; P704-L706 HydrophobicContact CB-CD1 4.35Å; P704-L706 HydrophobicContact CB-CD2 3.97Å; P704-L706 HydrophobicContact CB-CG 4.13Å
705	C	96.7	Very high	94.6	Very high	10 Å²	10	45 Å²	45	7%	0.068	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	100.4	-177.9	-69.7	0	0	0	0	109.3	L685 L687 Y695 A698 V703 A727 F728	L685-C705 CarbonylContact O-C 3.43Å; L685-C705 WeakPolarHBondContact O-CA 3.24Å; L687-C705 HydrophobicContact CD2-CB 3.86Å; Y695-C705 HydrophobicContact CD2-CB 3.82Å; Y695-C705 HydrophobicContact CE2-CB 3.79Å; A698-C705 WeakPolarHBondContact CB-SG 3.34Å; V703-C705 PolarHBondContact O-N 3.14Å; V703-C705 PolarHBondContact O-SG 3.16Å; C705-A727 WeakPolarHBondContact O-CA 3.16Å; C705-F728 WeakPolarHBondContact O-CD2 3.2Å; C705-F728 PolarHBondContact O-N 3.09Å; C705-F728 VanDerWaalsContact O-N 3.1Å
706	L	96.8	Very high	94.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.7	-163	-46.7	-179.1	0	0	0	113.1	H684 L685 I686 L687 P704 W710 H723 Y726 A727	H684-L706 HydrophobicContact CB-CD1 4.39Å; L685-L706 PolarHBondContact O-N 2.81Å; I686-L706 WeakPolarHBondContact CA-O 3.41Å; I686-L706 HydrophobicContact CD1-CB 3.98Å; I686-L706 HydrophobicContact CD1-CD1 4.44Å; L687-L706 PolarHBondContact N-O 3.2Å; P704-L706 HydrophobicContact CB-CD1 4.35Å; P704-L706 HydrophobicContact CB-CD2 3.97Å; P704-L706 HydrophobicContact CB-CG 4.13Å; L706-W710 HydrophobicContact CB-CB 4.29Å; L706-W710 HydrophobicContact CD1-CB 4.11Å; L706-W710 HydrophobicContact CD1-CD2 3.47Å; L706-W710 VanDerWaalsContact CD1-CD2 3.47Å; L706-W710 HydrophobicContact CD1-CE3 3.89Å; L706-W710 HydrophobicContact CD1-CG 3.57Å; L706-W710 HydrophobicContact CD1-CZ2 4.41Å; L706-H723 HydrophobicContact CD1-CB 3.76Å; L706-H723 HydrophobicContact CD2-CB 3.88Å; L706-H723 WeakPolarHBondContact CD2-O 3.4Å; L706-H723 HydrophobicContact CG-CB 4.49Å; L706-Y726 WeakPolarHBondContact CA-O 3.48Å; L706-A727 HydrophobicContact CD2-CB 3.97Å
707	N	93.9	Very high	94.5	Very high	46 Å²	46	47 Å²	47	25%	0.246	24%	0.236	C	C	.	.			trans	-74.3	170.6	168.9	67.7	50.4	0	0	0	112.1	S709 W710 Y726 F728	N707-S709 PolarHBondContact O-N 2.77Å; N707-S709 WeakPolarHBondContact OD1-CA 3.2Å; N707-S709 WeakPolarHBondContact OD1-CB 3.5Å; N707-S709 PolarHBondContact OD1-N 2.88Å; N707-S709 PolarHBondContact OD1-OG 2.99Å; N707-W710 PolarHBondContact O-N 3.07Å; N707-Y726 PolarHBondContact N-O 3.15Å; N707-Y726 PolarHBondContact ND2-O 2.86Å; N707-F728 HydrophobicContact CB-CE2 4.04Å; N707-F728 HydrophobicContact CB-CZ 3.86Å
708	T	93.3	Very high	94.6	Very high	21 Å²	21	50.2 Å²	50.2	13%	0.129	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-22.1	-179	44.2	0	0	0	0	114.6	F648 L656 I686 W710 L711 V712	F648-T708 HydrophobicContact CE1-CG2 3.64Å; F648-T708 HydrophobicContact CE2-CG2 4.27Å; F648-T708 HydrophobicContact CZ-CG2 3.43Å; F648-T708 VanDerWaalsContact CZ-CG2 3.43Å; L656-T708 HydrophobicContact CD1-CG2 3.79Å; L656-T708 HydrophobicContact CD2-CG2 3.8Å; L656-T708 HydrophobicContact CG-CG2 4.48Å; I686-T708 HydrophobicContact CG2-CG2 4.16Å; T708-W710 PolarHBondContact O-N 3.38Å; T708-L711 PolarHBondContact O-N 3.45Å; T708-V712 PolarHBondContact O-N 3.47Å
709	S	92.3	Very high	94.7	Very high	54 Å²	54	56.6 Å²	56.6	38%	0.378	27%	0.271	S	S	.	.	H	α-helix	trans	-66.6	-28	-176.9	-51.4	0	0	0	0	111.9	N707 L711 V712 D713	N707-S709 PolarHBondContact O-N 2.77Å; N707-S709 WeakPolarHBondContact OD1-CA 3.2Å; N707-S709 WeakPolarHBondContact OD1-CB 3.5Å; N707-S709 PolarHBondContact OD1-N 2.88Å; N707-S709 PolarHBondContact OD1-OG 2.99Å; S709-L711 PolarHBondContact O-N 3.46Å; S709-V712 PolarHBondContact O-N 2.84Å; S709-D713 WeakPolarHBondContact O-CB 3.4Å; S709-D713 PolarHBondContact O-N 3.02Å
710	W	96.1	Very high	94.8	Very high	1 Å²	1	60.8 Å²	60.8	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-44.8	173.5	179.2	78.1	0	0	0	112.4	L638 L643 H684 I686 L706 N707 T708 D713 C714 R720 V721 Y726	L638-W710 HydrophobicContact CD1-CZ3 4.3Å; L638-W710 HydrophobicContact CD2-CH2 3.59Å; L638-W710 HydrophobicContact CD2-CZ2 4.06Å; L638-W710 HydrophobicContact CD2-CZ3 4.11Å; L643-W710 HydrophobicContact CD1-CZ3 4.29Å; L643-W710 HydrophobicContact CD2-CH2 4.22Å; L643-W710 HydrophobicContact CD2-CZ3 3.83Å; H684-W710 AromaticContact CD2-CH2 3.83Å; H684-W710 AromaticContact CD2-CZ2 3.83Å; H684-W710 AromaticContact CE1-CH2 3.87Å; H684-W710 AromaticContact CG-CH2 3.89Å; H684-W710 AromaticContact ND1-CH2 3.89Å; H684-W710 AromaticContact NE2-CH2 3.83Å; H684-W710 AromaticContact NE2-CZ2 3.66Å; I686-W710 HydrophobicContact CD1-CE3 3.78Å; I686-W710 HydrophobicContact CD1-CZ3 4.12Å; L706-W710 HydrophobicContact CB-CB 4.29Å; L706-W710 HydrophobicContact CD1-CB 4.11Å; L706-W710 HydrophobicContact CD1-CD2 3.47Å; L706-W710 VanDerWaalsContact CD1-CD2 3.47Å; L706-W710 HydrophobicContact CD1-CE3 3.89Å; L706-W710 HydrophobicContact CD1-CG 3.57Å; L706-W710 HydrophobicContact CD1-CZ2 4.41Å; N707-W710 PolarHBondContact O-N 3.07Å; T708-W710 PolarHBondContact O-N 3.38Å; W710-D713 PolarHBondContact O-N 3.46Å; W710-C714 VanDerWaalsContact CE2-SG 3.57Å; W710-C714 WeakPolarHBondContact O-CB 3.46Å; W710-C714 PolarHBondContact O-N 3.25Å; W710-C714 PolarHBondContact O-SG 3.06Å; W710-R720 HydrophobicContact CZ2-CG 3.86Å; W710-V721 PolarHBondContact NE1-O 3.28Å; W710-Y726 HydrophobicContact CB-CD1 3.87Å; W710-Y726 HydrophobicContact CB-CD2 4.04Å; W710-Y726 HydrophobicContact CB-CE1 4.48Å; W710-Y726 HydrophobicContact CB-CG 3.6Å; W710-Y726 AromaticContact CD1-CD2 3.6Å; W710-Y726 HydrophobicContact CG-CD2 4.23Å; W710-Y726 HydrophobicContact CG-CG 4.26Å; W710-Y726 VanDerWaalsContact N-CD1 3.27Å
711	L	96.1	Very high	94.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-43.8	177.5	170.1	61.1	0	0	0	110.7	L638 L643 F645 L656 M659 A660 T708 S709 C714 I715	L638-L711 HydrophobicContact CD1-CD1 3.51Å; L643-L711 HydrophobicContact CD1-CD1 4.47Å; F645-L711 HydrophobicContact CE1-CD2 4.21Å; F645-L711 HydrophobicContact CZ-CD2 3.96Å; L656-L711 HydrophobicContact CD2-CD2 4.36Å; M659-L711 HydrophobicContact CB-CD2 4.37Å; M659-L711 HydrophobicContact CE-CD2 3.87Å; M659-L711 HydrophobicContact CE-CG 4.09Å; A660-L711 HydrophobicContact CB-CD1 4.06Å; A660-L711 HydrophobicContact CB-CD2 4.27Å; T708-L711 PolarHBondContact O-N 3.45Å; S709-L711 PolarHBondContact O-N 3.46Å; L711-C714 PolarHBondContact O-N 2.96Å; L711-I715 HydrophobicContact CD1-CD1 3.93Å; L711-I715 HydrophobicContact CG-CD1 4.22Å; L711-I715 WeakPolarHBondContact O-CD1 3.43Å; L711-I715 WeakPolarHBondContact O-CG1 3.31Å; L711-I715 PolarHBondContact O-N 2.85Å
712	V	94.5	Very high	94.9	Very high	7 Å²	7	53.4 Å²	53.4	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-60.4	-48.9	176.7	166.5	0	0	0	0	111.3	P624 Y629 M659 T708 S709 I715 R716	P624-V712 HydrophobicContact CB-CG2 3.61Å; Y629-V712 HydrophobicContact CD1-CG1 4.43Å; Y629-V712 HydrophobicContact CE1-CG1 3.56Å; Y629-V712 HydrophobicContact CE2-CG1 4.49Å; Y629-V712 HydrophobicContact CE2-CG2 4.18Å; Y629-V712 WeakPolarHBondContact OH-CG1 3.35Å; M659-V712 HydrophobicContact CE-CG2 4.14Å; T708-V712 PolarHBondContact O-N 3.47Å; S709-V712 PolarHBondContact O-N 2.84Å; V712-I715 WeakPolarHBondContact O-CB 3.24Å; V712-I715 PolarHBondContact O-N 2.64Å; V712-I715 VanDerWaalsContact O-N 3.12Å; V712-R716 HydrophobicContact CG1-CG 4.13Å; V712-R716 WeakPolarHBondContact O-CG 3.5Å; V712-R716 PolarHBondContact O-N 3.1Å
713	D	94.6	Very high	94.7	Very high	36 Å²	36	49.8 Å²	49.8	19%	0.193	24%	0.239	C	C	.	.	H	α-helix	trans	-73.1	-29.8	-176.7	-71.4	-17.4	0	0	0	112.1	S709 W710 I715 R716 C717 V721 Y726	S709-D713 WeakPolarHBondContact O-CB 3.4Å; S709-D713 PolarHBondContact O-N 3.02Å; W710-D713 PolarHBondContact O-N 3.46Å; D713-I715 VanDerWaalsContact C-N 3.26Å; D713-I715 PolarHBondContact O-N 3.19Å; D713-R716 PolarHBondContact O-N 3.38Å; D713-C717 VanDerWaalsContact O-CB 3.23Å; D713-C717 WeakPolarHBondContact O-CB 3.3Å; D713-C717 PolarHBondContact O-N 3.31Å; D713-V721 HydrophobicContact CB-CG2 4.18Å; D713-Y726 HydrophobicContact CB-CE1 4.37Å; D713-Y726 VanDerWaalsContact CB-OH 3.3Å; D713-Y726 WeakPolarHBondContact CB-OH 3.26Å; D713-Y726 VanDerWaalsContact OD2-CE1 3.31Å; D713-Y726 WeakPolarHBondContact OD2-CE1 3.4Å; D713-Y726 PolarHBondContact OD2-OH 2.88Å
714	C	96.4	Very high	94.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-38.6	167.6	-73.2	0	0	0	0	112.5	L638 W710 L711 R718 K719 V721	L638-C714 HydrophobicContact CD1-CB 4.34Å; L638-C714 HydrophobicContact CD2-CB 3.85Å; L638-C714 HydrophobicContact CG-CB 4.15Å; W710-C714 VanDerWaalsContact CE2-SG 3.57Å; W710-C714 WeakPolarHBondContact O-CB 3.46Å; W710-C714 PolarHBondContact O-N 3.25Å; W710-C714 PolarHBondContact O-SG 3.06Å; L711-C714 PolarHBondContact O-N 2.96Å; C714-R718 PolarHBondContact O-N 3.38Å; C714-K719 VanDerWaalsContact CA-O 3.27Å; C714-K719 WeakPolarHBondContact CA-O 3.32Å; C714-K719 PolarHBondContact O-N 2.83Å; C714-V721 PolarHBondContact SG-N 3.28Å; C714-V721 VanDerWaalsContact SG-N 3.38Å
715	I	95.1	Very high	94.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-73.7	-50.8	177.3	-68.4	165.1	0	0	0	110.3	L589 Y629 L631 M659 A663 L711 V712 D713 C717 R718	L589-I715 HydrophobicContact CD1-CD1 4.27Å; L589-I715 HydrophobicContact CD1-CG2 3.65Å; Y629-I715 HydrophobicContact CG-CG2 4.4Å; L631-I715 HydrophobicContact CB-CG2 4.16Å; L631-I715 HydrophobicContact CD2-CG2 4.36Å; M659-I715 HydrophobicContact CB-CD1 3.8Å; M659-I715 HydrophobicContact CE-CD1 4.41Å; M659-I715 HydrophobicContact SD-CD1 4.48Å; A663-I715 HydrophobicContact CB-CD1 4.28Å; A663-I715 HydrophobicContact CB-CG1 3.87Å; L711-I715 HydrophobicContact CD1-CD1 3.93Å; L711-I715 HydrophobicContact CG-CD1 4.22Å; L711-I715 WeakPolarHBondContact O-CD1 3.43Å; L711-I715 WeakPolarHBondContact O-CG1 3.31Å; L711-I715 PolarHBondContact O-N 2.85Å; V712-I715 WeakPolarHBondContact O-CB 3.24Å; V712-I715 PolarHBondContact O-N 2.64Å; V712-I715 VanDerWaalsContact O-N 3.12Å; D713-I715 VanDerWaalsContact C-N 3.26Å; D713-I715 PolarHBondContact O-N 3.19Å; I715-C717 PolarHBondContact O-N 2.9Å; I715-R718 PolarHBondContact O-N 3.13Å; I715-R718 VanDerWaalsContact O-N 3.12Å
716	R	92	Very high	94	Very high	160 Å²	160	56.1 Å²	56.1	60%	0.604	29%	0.29	S	S	*	.	H	α-helix	trans	-60.9	-44.3	-178.9	-69.6	178.4	72.7	178.8	4	112.9	Y629 V712 D713 R718	Y629-R716 HydrophobicContact CD1-CG 3.76Å; Y629-R716 HydrophobicContact CE1-CG 3.96Å; V712-R716 HydrophobicContact CG1-CG 4.13Å; V712-R716 WeakPolarHBondContact O-CG 3.5Å; V712-R716 PolarHBondContact O-N 3.1Å; D713-R716 PolarHBondContact O-N 3.38Å; R716-R718 VanDerWaalsContact C-N 3.27Å
717	C	93.5	Very high	93.7	Very high	69 Å²	69	58.1 Å²	58.1	47%	0.466	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.4	178.4	-64.6	0	0	0	0	113.1	D713 I715 K719 V721	D713-C717 VanDerWaalsContact O-CB 3.23Å; D713-C717 WeakPolarHBondContact O-CB 3.3Å; D713-C717 PolarHBondContact O-N 3.31Å; I715-C717 PolarHBondContact O-N 2.9Å; C717-K719 HydrophobicContact CB-CG 4.09Å; C717-K719 WeakPolarHBondContact O-CG 3.24Å; C717-K719 PolarHBondContact O-N 2.94Å; C717-V721 HydrophobicContact CB-CG1 4.01Å
718	R	94.6	Very high	93.2	Very high	105 Å²	105	58.2 Å²	58.2	40%	0.396	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	26.2	176.7	-56.5	167.1	173.2	-151.3	25	114	L631 E635 C714 I715 R716	L631-R718 HydrophobicContact CD1-CG 4.12Å; E635-R718 IonicContact OE1-CZ 3.76Å; E635-R718 IonicContact OE1-NH1 3.19Å; E635-R718 PolarHBondContact OE1-NH1 3.4Å; E635-R718 VanDerWaalsContact OE2-CB 3.27Å; E635-R718 WeakPolarHBondContact OE2-CB 3.46Å; E635-R718 WeakPolarHBondContact OE2-CD 3.31Å; E635-R718 WeakPolarHBondContact OE2-CG 3.26Å; E635-R718 IonicContact OE2-CZ 3.33Å; E635-R718 IonicContact OE2-NE 3.55Å; E635-R718 IonicContact OE2-NH1 2.7Å; C714-R718 PolarHBondContact O-N 3.38Å; I715-R718 PolarHBondContact O-N 3.13Å; I715-R718 VanDerWaalsContact O-N 3.12Å; R716-R718 VanDerWaalsContact C-N 3.27Å
719	K	96	Very high	92	Very high	134 Å²	134	62.2 Å²	62.2	58%	0.583	33%	0.333	S	S	*	.	S	Bend	trans	-150.7	151.6	-179.8	70.4	-173.2	-177.5	177.5	0	109.1	C714 C717 V721	C714-K719 VanDerWaalsContact CA-O 3.27Å; C714-K719 WeakPolarHBondContact CA-O 3.32Å; C714-K719 PolarHBondContact O-N 2.83Å; C717-K719 HydrophobicContact CB-CG 4.09Å; C717-K719 WeakPolarHBondContact O-CG 3.24Å; C717-K719 PolarHBondContact O-N 2.94Å; K719-V721 HydrophobicContact CG-CG1 4.38Å; K719-V721 PolarHBondContact O-N 3.2Å
720	R	95.9	Very high	90	Very high	152 Å²	152	64.1 Å²	64.1	57%	0.574	35%	0.347	S	S	*	.			trans	-63.4	107.4	169.5	-167.4	171.9	69.6	-172.7	3.5	109.3	P637 L638 W710	P637-R720 WeakPolarHBondContact O-CB 3.39Å; P637-R720 PolarHBondContact O-N 3.06Å; L638-R720 HydrophobicContact CD2-CB 4.39Å; L638-R720 HydrophobicContact CD2-CG 4.03Å; W710-R720 HydrophobicContact CZ2-CG 3.86Å
721	V	95.8	Very high	87.3	Confident	21 Å²	21	72.5 Å²	72.5	13%	0.127	39%	0.386	C	S	.	.			trans	-75	157.2	174.6	-60.3	0	0	0	0	110.2	W710 D713 C714 C717 K719 Y726	W710-V721 PolarHBondContact NE1-O 3.28Å; D713-V721 HydrophobicContact CB-CG2 4.18Å; C714-V721 PolarHBondContact SG-N 3.28Å; C714-V721 VanDerWaalsContact SG-N 3.38Å; C717-V721 HydrophobicContact CB-CG1 4.01Å; K719-V721 HydrophobicContact CG-CG1 4.38Å; K719-V721 PolarHBondContact O-N 3.2Å; V721-Y726 HydrophobicContact CG2-CE2 3.74Å
722	D	94	Very high	84.2	Confident	104 Å²	104	76.1 Å²	76.1	56%	0.556	42%	0.423	S	S	*	.			trans	-61.7	150.4	174.4	-177.9	55.8	0	0	0	111.1	A724 Y726	D722-A724 WeakPolarHBondContact OD2-CB 3.39Å; D722-A724 PolarHBondContact OD2-N 3.27Å; D722-Y726 VanDerWaalsContact O-CD2 3.26Å; D722-Y726 WeakPolarHBondContact O-CD2 3.48Å; D722-Y726 VanDerWaalsContact O-CE2 3.24Å; D722-Y726 WeakPolarHBondContact O-CE2 3.38Å
723	H	90.8	Very high	81	Confident	75 Å²	75	79.9 Å²	79.9	35%	0.347	46%	0.463	S	S	.	.	S	Bend	trans	-96.9	-14.7	-170.2	64.2	-79.8	0	0	0	113.7	L706 A725 Y726 A727	L706-H723 HydrophobicContact CD1-CB 3.76Å; L706-H723 HydrophobicContact CD2-CB 3.88Å; L706-H723 WeakPolarHBondContact CD2-O 3.4Å; L706-H723 HydrophobicContact CG-CB 4.49Å; H723-A725 PolarHBondContact O-N 3.45Å; H723-Y726 PolarHBondContact O-N 3.29Å; H723-Y726 VanDerWaalsContact O-N 3.09Å; H723-A727 PolarHBondContact O-N 3.02Å
724	A	88.9	Confident	77.8	Confident	67 Å²	67	86.5 Å²	86.5	55%	0.554	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-61.2	-41.5	-173.6	0	0	0	0	0	112.6	D722 Y726 A727	D722-A724 WeakPolarHBondContact OD2-CB 3.39Å; D722-A724 PolarHBondContact OD2-N 3.27Å; A724-Y726 PolarHBondContact O-N 3.11Å; A724-Y726 VanDerWaalsContact O-N 3.12Å; A724-A727 PolarHBondContact O-N 3.19Å
725	A	89.5	Confident	74.5	Confident	90 Å²	90	93.2 Å²	93.2	74%	0.744	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-67.9	-7.9	179.1	0	0	0	0	0	114.7	H723	H723-A725 PolarHBondContact O-N 3.45Å
726	Y	93.3	Very high	71.1	Confident	37 Å²	37	101.9 Å²	101.9	15%	0.145	57%	0.572	C	S	.	*	G	3₁₀ helix	trans	-120.8	-3.8	-175.8	-52.6	-90.3	0	0	0	113.1	L706 N707 W710 D713 V721 D722 H723 A724	L706-Y726 WeakPolarHBondContact CA-O 3.48Å; N707-Y726 PolarHBondContact N-O 3.15Å; N707-Y726 PolarHBondContact ND2-O 2.86Å; W710-Y726 HydrophobicContact CB-CD1 3.87Å; W710-Y726 HydrophobicContact CB-CD2 4.04Å; W710-Y726 HydrophobicContact CB-CE1 4.48Å; W710-Y726 HydrophobicContact CB-CG 3.6Å; W710-Y726 AromaticContact CD1-CD2 3.6Å; W710-Y726 HydrophobicContact CG-CD2 4.23Å; W710-Y726 HydrophobicContact CG-CG 4.26Å; W710-Y726 VanDerWaalsContact N-CD1 3.27Å; D713-Y726 HydrophobicContact CB-CE1 4.37Å; D713-Y726 VanDerWaalsContact CB-OH 3.3Å; D713-Y726 WeakPolarHBondContact CB-OH 3.26Å; D713-Y726 VanDerWaalsContact OD2-CE1 3.31Å; D713-Y726 WeakPolarHBondContact OD2-CE1 3.4Å; D713-Y726 PolarHBondContact OD2-OH 2.88Å; V721-Y726 HydrophobicContact CG2-CE2 3.74Å; D722-Y726 VanDerWaalsContact O-CD2 3.26Å; D722-Y726 WeakPolarHBondContact O-CD2 3.48Å; D722-Y726 VanDerWaalsContact O-CE2 3.24Å; D722-Y726 WeakPolarHBondContact O-CE2 3.38Å; H723-Y726 PolarHBondContact O-N 3.29Å; H723-Y726 VanDerWaalsContact O-N 3.09Å; A724-Y726 PolarHBondContact O-N 3.11Å; A724-Y726 VanDerWaalsContact O-N 3.12Å
727	A	91.2	Very high	68.1	Low	42 Å²	42	99.7 Å²	99.7	35%	0.347	58%	0.578	S	S	.	*	B	Isolated β-bridge	trans	-73.1	141.7	179	0	0	0	0	0	110.8	C705 L706 H723 A724 S729	C705-A727 WeakPolarHBondContact O-CA 3.16Å; L706-A727 HydrophobicContact CD2-CB 3.97Å; H723-A727 PolarHBondContact O-N 3.02Å; A724-A727 PolarHBondContact O-N 3.19Å; A727-S729 PolarHBondContact O-N 3.39Å
728	F	84	Confident	64.8	Low	48 Å²	48	102.8 Å²	102.8	21%	0.211	60%	0.595	C	S	.	*	P	Polyproline II helix	trans	-76	117.5	168.5	-66.3	-87	0	0	0	109.8	L687 H688 P690 C705 N707 S730	L687-F728 HydrophobicContact CD2-CD2 3.74Å; L687-F728 HydrophobicContact CD2-CE2 3.61Å; L687-F728 HydrophobicContact CG-CD2 4.05Å; L687-F728 HydrophobicContact CG-CE2 3.67Å; L687-F728 WeakPolarHBondContact O-CE2 3.32Å; L687-F728 WeakPolarHBondContact O-CZ 3.37Å; H688-F728 WeakPolarHBondContact O-CZ 3.46Å; P690-F728 HydrophobicContact CB-CB 3.75Å; P690-F728 HydrophobicContact CB-CD1 4.06Å; P690-F728 HydrophobicContact CB-CG 3.96Å; P690-F728 HydrophobicContact CG-CB 4.36Å; P690-F728 HydrophobicContact CG-CD1 3.96Å; P690-F728 HydrophobicContact CG-CG 4.36Å; C705-F728 WeakPolarHBondContact O-CD2 3.2Å; C705-F728 PolarHBondContact O-N 3.09Å; C705-F728 VanDerWaalsContact O-N 3.1Å; N707-F728 HydrophobicContact CB-CE2 4.04Å; N707-F728 HydrophobicContact CB-CZ 3.86Å; F728-S730 PolarHBondContact O-N 3.12Å
729	S	67.6	Low	61.6	Low	104 Å²	104	107 Å²	107	73%	0.727	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-52.6	135.6	175.2	-54.5	0	0	0	0	111.3	A727 E731	A727-S729 PolarHBondContact O-N 3.39Å; S729-E731 PolarHBondContact O-N 3.35Å
730	S	50.8	Low	58.3	Low	94 Å²	94	107.4 Å²	107.4	66%	0.657	63%	0.633	S	S	*	*			trans	-86.7	17.1	-174	-169.4	0	0	0	0	113.9	F728	F728-S730 PolarHBondContact O-N 3.12Å
731	E	39	Very low	55	Low	178 Å²	178	103.6 Å²	103.6	83%	0.832	64%	0.641	S	S	*	*			trans	-105.4	128.6	-174	-64.5	-167.6	162.3	0	0	112	S729	S729-E731 PolarHBondContact O-N 3.35Å
732	G	31	Very low	51.6	Low	75 Å²	75	108.8 Å²	108.8	77%	0.773	67%	0.673	S	S	*	*			trans	53.1	107.1	151.6	0	0	0	0	0	118.2	Q734	G732-Q734 PolarHBondContact O-N 3.17Å
733	G	27.9	Very low	48.4	Very low	87 Å²	87	111.7 Å²	111.7	90%	0.897	69%	0.688	S	S	*	*			trans	-66.9	118.9	162.8	0	0	0	0	0	111.1
734	Q	26.6	Very low	45.2	Very low	174 Å²	174	112.4 Å²	112.4	81%	0.813	71%	0.707	S	S	*	*			trans	-148.7	120.2	159.3	-116.1	171.4	-9.4	0	0	110.7	G732	G732-Q734 PolarHBondContact O-N 3.17Å
735	D	26.6	Very low	42.3	Very low	141 Å²	141	116.1 Å²	116.1	75%	0.754	72%	0.723	S	S	*	*			trans	43.3	108	152.3	-51.5	-30.8	0	0	0	120.4	P737	D735-P737 WeakPolarHBondContact O-CD 3.4Å
736	M	24.7	Very low	39.1	Very low	182 Å²	182	117.8 Å²	117.8	90%	0.897	72%	0.724	S	S	*	*			trans	-82.9	114.3	148.8	-82.9	-74	-63.2	0	0	109.2
737	P	28.1	Very low	36	Very low	114 Å²	114	121.5 Å²	121.5	74%	0.74	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-79.5	129.8	169.6	-8.3	26.8	0	0	0	110.2	D735	D735-P737 WeakPolarHBondContact O-CD 3.4Å
738	T	25.4	Very low	32.8	Very low	135 Å²	135	128.5 Å²	128.5	83%	0.828	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-63.6	151.9	171.4	38.7	0	0	0	0	112.7	T740	T738-T740 PolarHBondContact O-N 3.36Å
739	Q	26.6	Very low	30	Very low	194 Å²	194	134.1 Å²	134.1	91%	0.907	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-58.2	128.3	177.4	-66	176.6	-12.2	0	0	113.4
740	T	26.8	Very low	27.9	Very low	141 Å²	141	138.5 Å²	138.5	87%	0.865	82%	0.818	S	S	*	*			trans	-156.1	135.8	146.7	47.2	0	0	0	0	111.6	T738	T738-T740 PolarHBondContact O-N 3.36Å
741	G	25.3	Very low	26.7	Very low	72 Å²	72	141.9 Å²	141.9	74%	0.742	83%	0.828	S	S	*	*			trans	89.8	79	137.6	0	0	0	0	0	120.3
742	V	25.5	Very low	26.1	Very low	131 Å²	131	139 Å²	139	79%	0.794	82%	0.822	S	S	*	*			trans	18	114.7	135.2	-160.1	0	0	0	0	118.9
743	N	27.2	Very low	25.8	Very low	164 Å²	164	144.8 Å²	144.8	88%	0.877	83%	0.826	S	S	*	*				-173.2	155.3	110.9	-102.7	-45	0	0	0	113.6
744	A	24	Very low	25.7	Very low	90 Å²	90	149.6 Å²	149.6	74%	0.744	83%	0.828	S	S	*	*			trans	-92.9	142.3	-170.3	0	0	0	0	0	113.7
745	T	26.6	Very low	25.7	Very low	145 Å²	145	145.9 Å²	145.9	89%	0.89	83%	0.826	S	S	*	*			trans	-146.2	133.6	147	-13.1	0	0	0	0	111.6
746	T	23.5	Very low	25.7	Very low	125 Å²	125	144.9 Å²	144.9	77%	0.767	83%	0.826	S	S	*	*			trans	-67.3	132.1	-176.3	-52.9	0	0	0	0	112.3
747	S	27.5	Very low	25.8	Very low	116 Å²	116	142.1 Å²	142.1	81%	0.811	82%	0.821	S	S	*	*			trans	-147.8	114.1	162.1	-76.2	0	0	0	0	109.7
748	Q	23.1	Very low	25.8	Very low	188 Å²	188	142.1 Å²	142.1	88%	0.879	82%	0.824	S	S	*	*			trans	-74.6	124.3	-177.7	-65.2	174.9	-8.5	0	0	110.6
749	L	26.3	Very low	25.9	Very low	167 Å²	167	142 Å²	142	87%	0.874	82%	0.823	S	S	*	*			trans	-125.5	119.1	164.9	-104.5	158.5	0	0	0	109.8	I751	L749-I751 PolarHBondContact O-N 2.97Å
750	K	22.8	Very low	25.9	Very low	195 Å²	195	143.2 Å²	143.2	85%	0.848	82%	0.819	S	S	*	*			trans	-65.8	118	-177.4	-70.6	169.2	174.8	171.8	0	110.1	T752	K750-T752 PolarHBondContact O-N 3.45Å
751	I	26.4	Very low	26.1	Very low	166 Å²	166	144 Å²	144	85%	0.851	82%	0.816	S	S	*	*			trans	-88.8	102.5	161.5	-62.7	179.7	0	0	0	108.1	L749 K753	L749-I751 PolarHBondContact O-N 2.97Å; I751-K753 PolarHBondContact O-N 3.32Å
752	T	25.5	Very low	26.6	Very low	117 Å²	117	152.8 Å²	152.8	72%	0.718	84%	0.835	S	S	*	*			trans	-67.6	120.3	174.2	-52.9	0	0	0	0	109.6	K750 M754	K750-T752 PolarHBondContact O-N 3.45Å; T752-M754 PolarHBondContact O-N 3.49Å; T752-M754 VanDerWaalsContact O-N 3.17Å
753	K	24.5	Very low	26.7	Very low	197 Å²	197	153.9 Å²	153.9	86%	0.857	84%	0.837	S	S	*	*			trans	-60.9	115.7	168.2	-70.7	-177.4	175.8	-178.1	0	109	I751	I751-K753 PolarHBondContact O-N 3.32Å
754	M	26.5	Very low	26.6	Very low	188 Å²	188	153.3 Å²	153.3	93%	0.926	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-76	128.2	163.2	-76	-161.7	176.1	0	0	109.4	T752	T752-M754 PolarHBondContact O-N 3.49Å; T752-M754 VanDerWaalsContact O-N 3.17Å
755	A	27.4	Very low	26.8	Very low	95 Å²	95	156.8 Å²	156.8	79%	0.785	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-77.9	145	-175.3	0	0	0	0	0	112.3
756	T	26	Very low	26.8	Very low	121 Å²	121	157.5 Å²	157.5	74%	0.742	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-66.4	133	163.3	42.8	0	0	0	0	110.6	S758	T756-S758 PolarHBondContact O-N 3.48Å
757	P	27.4	Very low	27	Very low	124 Å²	124	159.6 Å²	159.6	81%	0.805	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-76.3	118	172.9	30.1	-31.9	0	0	0	110.4	V759	P757-V759 PolarHBondContact O-N 3.29Å
758	S	28.2	Very low	27	Very low	113 Å²	113	162.5 Å²	162.5	79%	0.79	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-69.3	116.7	175.3	-52.1	0	0	0	0	111	T756 R760	T756-S758 PolarHBondContact O-N 3.48Å; S758-R760 PolarHBondContact O-N 3.24Å
759	V	27.1	Very low	27.2	Very low	134 Å²	134	160.6 Å²	160.6	81%	0.812	84%	0.84	S	S	*	*			trans	-73.9	109	164.8	177.3	0	0	0	0	107.8	P757	P757-V759 PolarHBondContact O-N 3.29Å
760	R	25.9	Very low	27.3	Very low	218 Å²	218	160.2 Å²	160.2	82%	0.823	84%	0.838	S	S	*	*			trans	-73.5	126	164.7	-82.2	-175.4	172.3	176.7	-2.5	108.6	S758	S758-R760 PolarHBondContact O-N 3.24Å
761	I	30.8	Very low	27.7	Very low	158 Å²	158	157.3 Å²	157.3	81%	0.81	84%	0.837	S	S	*	*			trans	-73.4	129.8	163.8	-60.9	171.5	0	0	0	107.5
762	F	36.6	Very low	27.8	Very low	256 Å²	256	156.5 Å²	156.5	100%	1.123	84%	0.836	S	S	*	*			trans	-123.9	0	155	-99.4	-71.2	0	0	0	106.7

Retrieved 762 of 762 residues in 861 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).