A0A077ZG40_TRITR Loading...

5 nucleotid domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG40, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 594 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37	Very low	34.8	Very low	247 Å²	247	139.5 Å²	139.5	100%	1.217	71%	0.707	S	S	*	*				0	79.3	0	-72.6	-167.4	-102.5	0	0	109.3
2	L	32.3	Very low	34.6	Very low	151 Å²	151	146.9 Å²	146.9	79%	0.791	72%	0.72	S	S	*	*			trans	-81.6	120.3	179.6	-77.5	157.3	0	0	0	108.9
3	G	33.5	Very low	34.3	Very low	52 Å²	52	141.9 Å²	141.9	54%	0.536	70%	0.699	S	S	.	*			trans	-66.1	149.9	-170.4	0	0	0	0	0	114.5	A5 Q6	G3-A5 PolarHBondContact O-N 3.03Å; G3-Q6 PolarHBondContact O-N 3.3Å; G3-Q6 VanDerWaalsContact O-N 3.12Å
4	S	41.4	Very low	34.1	Very low	97 Å²	97	136.1 Å²	136.1	68%	0.678	69%	0.685	S	S	*	*	H	α-helix	trans	-53.2	-21.3	-170.7	68.1	0	0	0	0	115.7	Q6 M7 K8	S4-Q6 PolarHBondContact O-N 3.06Å; S4-M7 PolarHBondContact O-N 3.08Å; S4-K8 PolarHBondContact O-N 3.26Å
5	A	40.4	Very low	33.7	Very low	80 Å²	80	132.3 Å²	132.3	66%	0.661	69%	0.693	S	S	*	*	H	α-helix	trans	-66	-34.3	178.5	0	0	0	0	0	113.4	G3	G3-A5 PolarHBondContact O-N 3.03Å
6	Q	38.1	Very low	33.5	Very low	130 Å²	130	134.9 Å²	134.9	61%	0.607	70%	0.697	S	S	*	*	H	α-helix	trans	-77.6	-28.9	178	-82.6	177.6	-14.5	0	0	112.4	G3 S4 K8 K9 Y10	G3-Q6 PolarHBondContact O-N 3.3Å; G3-Q6 VanDerWaalsContact O-N 3.12Å; S4-Q6 PolarHBondContact O-N 3.06Å; Q6-K8 VanDerWaalsContact C-N 3.32Å; Q6-K8 PolarHBondContact O-N 2.96Å; Q6-K9 PolarHBondContact O-N 2.64Å; Q6-Y10 PolarHBondContact O-N 3.32Å
7	M	31	Very low	33.3	Very low	137 Å²	137	137.5 Å²	137.5	68%	0.675	70%	0.696	S	S	*	*	H	α-helix	trans	-65	-36.3	175	-149	107.7	79	0	0	111.8	S4 K9 Y10 R11	S4-M7 PolarHBondContact O-N 3.08Å; M7-K9 VanDerWaalsContact C-N 3.27Å; M7-K9 PolarHBondContact O-N 2.96Å; M7-Y10 PolarHBondContact O-N 3.25Å; M7-R11 PolarHBondContact O-N 3.13Å
8	K	35	Very low	33.2	Very low	139 Å²	139	140.2 Å²	140.2	60%	0.604	70%	0.697	S	S	*	*	H	α-helix	trans	-64.6	-28.7	175.8	-80.5	-171.9	172	-174.1	0	113.4	S4 Q6	S4-K8 PolarHBondContact O-N 3.26Å; Q6-K8 VanDerWaalsContact C-N 3.32Å; Q6-K8 PolarHBondContact O-N 2.96Å
9	K	34.2	Very low	33.2	Very low	161 Å²	161	135.8 Å²	135.8	70%	0.7	69%	0.686	S	S	*	*	H	α-helix	trans	-72.7	-34.3	177.1	-154.9	175.1	-177.1	-179.5	0	111.8	Q6 M7	Q6-K9 PolarHBondContact O-N 2.64Å; M7-K9 VanDerWaalsContact C-N 3.27Å; M7-K9 PolarHBondContact O-N 2.96Å
10	Y	28.9	Very low	33.2	Very low	175 Å²	175	136.3 Å²	136.3	69%	0.686	68%	0.683	S	S	*	*	H	α-helix	trans	-69.9	-32.3	178.6	-126.1	-93.5	0	0	0	113.2	Q6 M7	Q6-Y10 PolarHBondContact O-N 3.32Å; M7-Y10 PolarHBondContact O-N 3.25Å
11	R	31.3	Very low	33.1	Very low	165 Å²	165	138.9 Å²	138.9	62%	0.623	69%	0.693	S	S	*	*	H	α-helix	trans	-75.2	-34.2	-179.8	-81.9	-173.8	171.1	178.3	-3.7	114.2	M7 D13 A14	M7-R11 PolarHBondContact O-N 3.13Å; R11-D13 PolarHBondContact O-N 2.75Å; R11-A14 WeakPolarHBondContact O-CB 3.13Å; R11-A14 PolarHBondContact O-N 3.02Å
12	R	32.6	Very low	33.2	Very low	229 Å²	229	130.2 Å²	130.2	86%	0.864	65%	0.649	S	S	*	*	H	α-helix	trans	-65.2	-21.6	176.9	-92.7	-174.6	-176.5	170.3	3	113.9
13	D	30.9	Very low	33.4	Very low	82 Å²	82	128.9 Å²	128.9	44%	0.439	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.3	-6.6	-179.9	-72.5	-28.4	0	0	0	113.8	R11 G15 K16	R11-D13 PolarHBondContact O-N 2.75Å; D13-G15 VanDerWaalsContact C-N 3.27Å; D13-G15 PolarHBondContact O-N 3.12Å; D13-K16 PolarHBondContact O-N 3.29Å; D13-K16 VanDerWaalsContact O-N 3.1Å
14	A	31.2	Very low	33.5	Very low	61 Å²	61	134.1 Å²	134.1	50%	0.504	66%	0.657	S	S	.	*	G	3₁₀ helix	trans	-62.8	-32.8	178.8	0	0	0	0	0	112.6	R11 K16	R11-A14 WeakPolarHBondContact O-CB 3.13Å; R11-A14 PolarHBondContact O-N 3.02Å; A14-K16 PolarHBondContact O-N 3.18Å; A14-K16 VanDerWaalsContact O-N 3.14Å
15	G	28.2	Very low	33.6	Very low	78 Å²	78	135.2 Å²	135.2	80%	0.804	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-68.6	-7.5	176.4	0	0	0	0	0	115.1	D13	D13-G15 VanDerWaalsContact C-N 3.27Å; D13-G15 PolarHBondContact O-N 3.12Å
16	K	30.9	Very low	33.4	Very low	174 Å²	174	136.2 Å²	136.2	76%	0.757	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-109.6	-1.5	-178.2	-76.1	-176.3	179.5	169.9	0	115	D13 A14	D13-K16 PolarHBondContact O-N 3.29Å; D13-K16 VanDerWaalsContact O-N 3.1Å; A14-K16 PolarHBondContact O-N 3.18Å; A14-K16 VanDerWaalsContact O-N 3.14Å
17	R	29.1	Very low	33.6	Very low	180 Å²	180	133.2 Å²	133.2	68%	0.679	66%	0.655	S	S	*	*			trans	-103.8	8.9	-165.9	-102.7	-177.9	177.2	163.1	-0.6	118.3	A19	R17-A19 PolarHBondContact O-N 2.69Å
18	Y	31.8	Very low	34.2	Very low	185 Å²	185	135.5 Å²	135.5	73%	0.725	66%	0.661	S	S	*	*			trans	-85.5	22.2	169.2	-64	-74.6	0	0	0	114.1
19	A	32.8	Very low	34.8	Very low	58 Å²	58	135 Å²	135	48%	0.479	66%	0.659	S	S	.	*	S	Bend	trans	-90.6	97.3	157.9	0	0	0	0	0	106.6	R17 E21	R17-A19 PolarHBondContact O-N 2.69Å; A19-E21 PolarHBondContact O-N 2.86Å
20	F	32.8	Very low	36.1	Very low	145 Å²	145	129.4 Å²	129.4	64%	0.636	64%	0.639	S	S	*	*			trans	-51	111.8	163.8	-84.4	-94.6	0	0	0	107.6	F22	F20-F22 PolarHBondContact O-N 3.46Å; F20-F22 VanDerWaalsContact O-N 3.1Å
21	E	32.5	Very low	37.9	Very low	190 Å²	190	123.3 Å²	123.3	89%	0.888	62%	0.617	S	S	*	*			trans	-64.5	107.5	167.4	-86.2	178.4	159.4	0	0	106.6	A19	A19-E21 PolarHBondContact O-N 2.86Å
22	F	38.6	Very low	39.8	Very low	65 Å²	65	118 Å²	118	29%	0.285	60%	0.602	S	S	.	*			trans	-64	133.9	176.7	-93	-98.2	0	0	0	109.6	F20 F24 Y480	F20-F22 PolarHBondContact O-N 3.46Å; F20-F22 VanDerWaalsContact O-N 3.1Å; F22-F24 PolarHBondContact O-N 2.82Å; F22-F24 VanDerWaalsContact O-N 3.1Å; F22-Y480 HydrophobicContact CE1-CD1 4.48Å; F22-Y480 HydrophobicContact CE1-CE1 4.03Å; F22-Y480 HydrophobicContact CZ-CD1 4.31Å; F22-Y480 AromaticContact CZ-CE1 3.46Å; F22-Y480 HydrophobicContact CZ-CE1 3.46Å; F22-Y480 VanDerWaalsContact CZ-CE1 3.46Å; F22-Y480 HydrophobicContact CZ-CE2 4.38Å; F22-Y480 AromaticContact CZ-CZ 3.5Å; F22-Y480 VanDerWaalsContact CZ-CZ 3.5Å; F22-Y480 WeakPolarHBondContact CZ-OH 3.3Å
23	P	36.4	Very low	42.3	Very low	123 Å²	123	107.9 Å²	107.9	80%	0.799	57%	0.566	S	S	*	*	S	Bend	trans	-70.8	-5.2	-177	-15.6	29	0	0	0	114.6
24	F	36.6	Very low	45.1	Very low	162 Å²	162	107.8 Å²	107.8	71%	0.711	56%	0.559	S	S	*	*	S	Bend	trans	-135.5	143.5	175.3	-82.7	-99.2	0	0	0	107.5	F22	F22-F24 PolarHBondContact O-N 2.82Å; F22-F24 VanDerWaalsContact O-N 3.1Å
25	F	42.9	Very low	48.2	Very low	120 Å²	120	105 Å²	105	53%	0.526	54%	0.536	S	S	.	.			trans	107.2	114.1	171.8	-58.6	-74.3	0	0	0	117.8	F29 V30 Y479	F25-F29 HydrophobicContact CB-CB 4.38Å; F25-F29 HydrophobicContact CD1-CB 4.28Å; F25-V30 HydrophobicContact CB-CG2 4.13Å; F25-V30 WeakPolarHBondContact O-CG2 3.38Å; F25-Y479 HydrophobicContact CE2-CD1 4.43Å
26	C	36.3	Very low	51.4	Low	102 Å²	102	103 Å²	103	69%	0.689	51%	0.505	S	S	*	.			trans	-53.5	129.5	166.5	171.9	0	0	0	0	111.1	K28 F29	C26-K28 PolarHBondContact O-N 2.7Å; C26-F29 PolarHBondContact O-N 2.72Å
27	G	42.1	Very low	54.5	Low	66 Å²	66	96.6 Å²	96.6	68%	0.68	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-4.3	-159.4	0	0	0	0	0	120.3
28	K	44.3	Very low	57.6	Low	185 Å²	185	89.9 Å²	89.9	80%	0.804	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-34.4	169.1	-78.8	-170.4	175.2	-174.8	0	113.1	C26 V30	C26-K28 PolarHBondContact O-N 2.7Å; K28-V30 VanDerWaalsContact C-N 3.3Å; K28-V30 PolarHBondContact O-N 2.96Å
29	F	47.5	Very low	60.5	Low	130 Å²	130	84.6 Å²	84.6	57%	0.57	44%	0.437	S	S	*	.	S	Bend	trans	-78.9	-12.4	-178	-73.4	-82.4	0	0	0	113.4	F25 C26 L31 C33	F25-F29 HydrophobicContact CB-CB 4.38Å; F25-F29 HydrophobicContact CD1-CB 4.28Å; C26-F29 PolarHBondContact O-N 2.72Å; F29-L31 PolarHBondContact O-N 3.3Å; F29-C33 PolarHBondContact O-SG 2.81Å
30	V	61.1	Low	63.4	Low	43 Å²	43	82.4 Å²	82.4	26%	0.261	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-35.7	-170.2	-178.1	0	0	0	0	112.5	F25 K28	F25-V30 HydrophobicContact CB-CG2 4.13Å; F25-V30 WeakPolarHBondContact O-CG2 3.38Å; K28-V30 VanDerWaalsContact C-N 3.3Å; K28-V30 PolarHBondContact O-N 2.96Å
31	L	66.4	Low	66.3	Low	46 Å²	46	75.6 Å²	75.6	24%	0.241	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-40.5	-176.3	-66.5	177.5	0	0	0	111.9	F29 C33 R34 L388 T392	F29-L31 PolarHBondContact O-N 3.3Å; L31-C33 PolarHBondContact O-N 3.01Å; L31-R34 PolarHBondContact O-N 3.44Å; L31-L388 HydrophobicContact CB-CD1 4.45Å; L31-T392 WeakPolarHBondContact CD1-OG1 3.29Å
32	D	71.6	Confident	69.2	Low	55 Å²	55	69.8 Å²	69.8	29%	0.294	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.4	-179.9	-59.5	10.4	0	0	0	111.9	L385 H472 N476	D32-L385 HydrophobicContact CB-CD1 4.19Å; D32-L385 WeakPolarHBondContact OD1-CD1 3.45Å; D32-H472 PolarHBondContact O-CD2 2.97Å; D32-H472 VanDerWaalsContact O-CD2 3.29Å; D32-H472 PolarHBondContact O-NE2 2.76Å; D32-N476 PolarHBondContact O-ND2 3.49Å; D32-N476 PolarHBondContact O-OD1 3.1Å
33	C	83.7	Confident	71.9	Confident	16 Å²	16	66.8 Å²	66.8	11%	0.108	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-7.3	-179.8	-64.2	0	0	0	0	113.6	F29 L31 Y479	F29-C33 PolarHBondContact O-SG 2.81Å; L31-C33 PolarHBondContact O-N 3.01Å; C33-Y479 HydrophobicContact CB-CD1 4.32Å; C33-Y479 HydrophobicContact CB-CD2 3.42Å; C33-Y479 VanDerWaalsContact CB-CD2 3.42Å; C33-Y479 HydrophobicContact CB-CE1 4.47Å; C33-Y479 HydrophobicContact CB-CE2 3.58Å; C33-Y479 HydrophobicContact CB-CG 3.81Å; C33-Y479 WeakPolarHBondContact O-CD2 3.43Å; C33-Y479 WeakPolarHBondContact SG-CE2 3.3Å
34	R	90.4	Very high	74.7	Confident	79 Å²	79	63.1 Å²	63.1	30%	0.298	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-80.4	141.1	-169	-168.5	168.6	-176	173.2	2	112.6	L31 F36 N476	L31-R34 PolarHBondContact O-N 3.44Å; R34-F36 HydrophobicContact CB-CE2 4.22Å; R34-F36 HydrophobicContact CB-CZ 4.33Å; R34-F36 HydrophobicContact CG-CE2 4.3Å; R34-F36 HydrophobicContact CG-CZ 4.23Å; R34-N476 PolarHBondContact O-ND2 3.49Å
35	V	95.6	Very high	77.4	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.024	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-101.5	133.8	162.5	176.6	0	0	0	0	108.6	F378 L469 A471 N476 L477 Y480 F486	V35-F378 HydrophobicContact CG1-CE2 3.85Å; V35-F378 HydrophobicContact CG2-CE2 3.98Å; V35-F378 HydrophobicContact CG2-CZ 4.31Å; V35-L469 HydrophobicContact CG1-CB 3.97Å; V35-L469 HydrophobicContact CG1-CD1 4.35Å; V35-L469 HydrophobicContact CG1-CD2 4.25Å; V35-L469 HydrophobicContact CG1-CG 4.42Å; V35-A471 HydrophobicContact CG2-CB 4.3Å; V35-N476 HydrophobicContact CG2-CB 3.74Å; V35-L477 HydrophobicContact CG2-CD2 4.4Å; V35-Y480 HydrophobicContact CB-CE2 3.97Å; V35-Y480 HydrophobicContact CG2-CD2 4.25Å; V35-Y480 HydrophobicContact CG2-CE2 3.7Å; V35-Y480 PolarHBondContact N-OH 3.16Å; V35-F486 HydrophobicContact CB-CE1 3.77Å; V35-F486 HydrophobicContact CB-CZ 4.08Å; V35-F486 HydrophobicContact CG1-CD1 4.43Å; V35-F486 HydrophobicContact CG1-CE1 3.85Å; V35-F486 HydrophobicContact CG1-CZ 4.06Å; V35-F486 HydrophobicContact CG2-CZ 4.41Å
36	F	95.7	Very high	79.9	Confident	35 Å²	35	53.5 Å²	53.5	15%	0.154	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	146.4	178.6	-63.1	-93.1	0	0	0	110.5	R34 L384 L388 L469 Y470	R34-F36 HydrophobicContact CB-CE2 4.22Å; R34-F36 HydrophobicContact CB-CZ 4.33Å; R34-F36 HydrophobicContact CG-CE2 4.3Å; R34-F36 HydrophobicContact CG-CZ 4.23Å; F36-L384 HydrophobicContact CD2-CD2 3.68Å; F36-L384 HydrophobicContact CE2-CD2 3.66Å; F36-L384 HydrophobicContact CE2-CG 4.41Å; F36-L388 HydrophobicContact CE1-CD2 4.39Å; F36-L388 HydrophobicContact CE2-CD1 3.83Å; F36-L388 HydrophobicContact CZ-CD1 3.7Å; F36-L388 HydrophobicContact CZ-CD2 3.76Å; F36-L388 HydrophobicContact CZ-CG 4.35Å; F36-L469 CarbonylContact O-C 3.58Å; F36-L469 VanDerWaalsContact O-CA 3.28Å; F36-L469 WeakPolarHBondContact O-CA 3.22Å; F36-Y470 HydrophobicContact CB-CD1 3.84Å; F36-Y470 HydrophobicContact CB-CD2 4.07Å; F36-Y470 HydrophobicContact CB-CE1 3.38Å; F36-Y470 HydrophobicContact CB-CE2 3.64Å; F36-Y470 HydrophobicContact CB-CG 4.16Å; F36-Y470 HydrophobicContact CD2-CD2 4.49Å; F36-Y470 HydrophobicContact CD2-CE2 4.14Å; F36-Y470 HydrophobicContact CG-CE1 4.46Å; F36-Y470 AromaticContact CG-CE2 3.94Å; F36-Y470 HydrophobicContact CG-CE2 3.94Å; F36-Y470 AromaticContact CG-CZ 3.88Å; F36-Y470 PolarHBondContact N-O 3.39Å; F36-Y470 PolarHBondContact O-N 3.2Å
37	V	95.9	Very high	82.8	Confident	39 Å²	39	54 Å²	54	24%	0.236	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.9	-165.8	-170.6	0	0	0	0	109.7	R39 L469 F486 A488	V37-R39 WeakPolarHBondContact CG1-O 3.25Å; V37-L469 HydrophobicContact CB-CD2 4.17Å; V37-L469 HydrophobicContact CG1-CD2 3.92Å; V37-L469 HydrophobicContact CG2-CD2 3.89Å; V37-F486 HydrophobicContact CG1-CB 4.02Å; V37-F486 HydrophobicContact CG2-CB 3.8Å; V37-F486 HydrophobicContact CG2-CD1 3.58Å; V37-F486 HydrophobicContact CG2-CG 4.08Å; V37-A488 HydrophobicContact CG1-CB 4.14Å
38	N	94.7	Very high	85.4	Confident	39 Å²	39	51.5 Å²	51.5	21%	0.209	25%	0.252	C	S	.	.	S	Bend	trans	-98.3	-28.8	169.4	-64.9	-34.1	0	0	0	111.6	V463 A467 D468	N38-V463 PolarHBondContact ND2-O 2.89Å; N38-V463 VanDerWaalsContact ND2-O 3.09Å; N38-A467 VanDerWaalsContact CB-O 3.29Å; N38-A467 WeakPolarHBondContact CB-O 3.47Å; N38-A467 PolarHBondContact ND2-O 3.39Å; N38-A467 VanDerWaalsContact ND2-O 3.08Å; N38-D468 PolarHBondContact N-O 3.1Å
39	R	91.8	Very high	88	Confident	75 Å²	75	42.8 Å²	42.8	28%	0.283	21%	0.214	S	C	.	.	S	Bend	trans	-139.1	135.9	177.6	-63.4	-176.8	-166.4	60.1	24	110.4	V37 L41 R376 E464 R465 A467 D468	V37-R39 WeakPolarHBondContact CG1-O 3.25Å; R39-L41 PolarHBondContact O-N 3.31Å; R39-R376 PolarHBondContact O-NH2 3.03Å; R39-E464 PolarHBondContact NH1-O 3.49Å; R39-E464 PolarHBondContact NH2-O 3.46Å; R39-R465 VanDerWaalsContact CZ-O 3.32Å; R39-R465 PolarHBondContact NH1-O 2.68Å; R39-R465 VanDerWaalsContact NH2-C 3.31Å; R39-R465 PolarHBondContact NH2-O 2.84Å; R39-A467 PolarHBondContact NH1-O 2.81Å; R39-D468 HydrophobicContact CB-CB 4.2Å; R39-D468 VanDerWaalsContact CD-OD1 3.27Å; R39-D468 WeakPolarHBondContact CD-OD1 3.43Å; R39-D468 PolarHBondContact N-O 3.36Å; R39-D468 VanDerWaalsContact N-O 3.16Å; R39-D468 IonicContact NH1-OD1 3.2Å
40	S	94	Very high	90.3	Very high	12 Å²	12	36.6 Å²	36.6	8%	0.084	19%	0.187	C	C	.	.			trans	-59.6	133.6	-178.4	-58	0	0	0	0	111.4	R376 F486 A488 D570	S40-R376 VanDerWaalsContact O-CZ 3.28Å; S40-R376 PolarHBondContact O-NH1 2.89Å; S40-R376 PolarHBondContact O-NH2 3.32Å; S40-F486 CarbonylContact C-O 3.12Å; S40-F486 WeakPolarHBondContact CA-O 3.44Å; S40-F486 WeakPolarHBondContact CB-O 3.42Å; S40-A488 PolarHBondContact OG-N 2.98Å; S40-D570 WeakPolarHBondContact CB-OD1 3.4Å; S40-D570 PolarHBondContact OG-OD1 3.22Å
41	L	93.6	Very high	92.1	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	129.7	-175.8	-172.5	150	0	0	0	109.4	R39 L43 I46 L356 R376 L469 F486	R39-L41 PolarHBondContact O-N 3.31Å; L41-L43 HydrophobicContact CD2-CD2 3.72Å; L41-L43 HydrophobicContact CD2-CG 4.2Å; L41-I46 HydrophobicContact CD1-CD1 4.47Å; L41-I46 HydrophobicContact CD2-CD1 4.34Å; L41-I46 HydrophobicContact CD2-CG1 4.03Å; L41-L356 HydrophobicContact CD1-CD1 3.9Å; L41-R376 HydrophobicContact CD1-CB 3.49Å; L41-R376 VanDerWaalsContact CD1-CB 3.49Å; L41-R376 HydrophobicContact CD1-CG 3.71Å; L41-R376 HydrophobicContact CG-CG 4.47Å; L41-L469 HydrophobicContact CD1-CD1 4.2Å; L41-L469 HydrophobicContact CD1-CG 4.47Å; L41-L469 HydrophobicContact CD2-CD1 4.29Å; L41-F486 HydrophobicContact CB-CB 4.47Å; L41-F486 PolarHBondContact N-O 3.41Å; L41-F486 WeakPolarHBondContact O-CB 3.15Å; L41-F486 PolarHBondContact O-N 2.98Å
42	E	93.8	Very high	93.6	Very high	67 Å²	67	33 Å²	33	31%	0.313	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.6	173	-168.1	-179.9	170.9	0	0	110.4	G44 K45 F485	E42-G44 PolarHBondContact O-N 3.33Å; E42-K45 HydrophobicContact CB-CB 4.48Å; E42-K45 HydrophobicContact CB-CD 4.21Å; E42-K45 HydrophobicContact CB-CG 4.31Å; E42-K45 HydrophobicContact CG-CG 4.45Å; E42-K45 PolarHBondContact O-N 3.13Å; E42-K45 VanDerWaalsContact OE2-CD 3.27Å; E42-K45 WeakPolarHBondContact OE2-CD 3.45Å; E42-K45 WeakPolarHBondContact OE2-CE 3.34Å; E42-K45 IonicContact OE2-NZ 3.68Å; E42-K45 PolarHBondContact OE2-NZ 2.62Å; E42-F485 HydrophobicContact CB-CD2 3.79Å; E42-F485 HydrophobicContact CB-CE2 4.42Å; E42-F485 HydrophobicContact CG-CB 4.49Å; E42-F485 HydrophobicContact CG-CD2 4.28Å
43	L	95.8	Very high	94.8	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-64.3	-29.1	-179.7	-73	-179.2	0	0	0	112.1	L41 K45 I46 F49 L356 L477 F482 Y484 F486	L41-L43 HydrophobicContact CD2-CD2 3.72Å; L41-L43 HydrophobicContact CD2-CG 4.2Å; L43-K45 PolarHBondContact O-N 2.89Å; L43-I46 WeakPolarHBondContact O-CB 3.49Å; L43-I46 PolarHBondContact O-N 3.39Å; L43-F49 HydrophobicContact CD2-CE1 4.2Å; L43-F49 HydrophobicContact CD2-CZ 4.4Å; L43-L356 HydrophobicContact CD2-CD2 4.13Å; L43-L477 HydrophobicContact CD1-CD2 4.44Å; L43-F482 CarbonylContact C-O 3.59Å; L43-F482 WeakPolarHBondContact CB-O 3.36Å; L43-F482 HydrophobicContact CD1-CD1 4.22Å; L43-Y484 PolarHBondContact N-O 3.43Å; L43-F486 HydrophobicContact CD1-CE2 3.76Å; L43-F486 HydrophobicContact CD2-CE2 4.29Å; L43-F486 HydrophobicContact CG-CD2 4.25Å; L43-F486 HydrophobicContact CG-CE2 3.85Å
44	G	94.2	Very high	95.4	Very high	47 Å²	47	30.2 Å²	30.2	49%	0.485	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-63.5	-21.9	177.2	0	0	0	0	0	113.8	E42 F482	E42-G44 PolarHBondContact O-N 3.33Å; G44-F482 PolarHBondContact N-O 2.9Å
45	K	93.5	Very high	95.5	Very high	70 Å²	70	27.1 Å²	27.1	30%	0.304	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-87.6	-9.3	175.5	-70.3	178	170.9	139.8	0	113	E42 L43 R572	E42-K45 HydrophobicContact CB-CB 4.48Å; E42-K45 HydrophobicContact CB-CD 4.21Å; E42-K45 HydrophobicContact CB-CG 4.31Å; E42-K45 HydrophobicContact CG-CG 4.45Å; E42-K45 PolarHBondContact O-N 3.13Å; E42-K45 VanDerWaalsContact OE2-CD 3.27Å; E42-K45 WeakPolarHBondContact OE2-CD 3.45Å; E42-K45 WeakPolarHBondContact OE2-CE 3.34Å; E42-K45 IonicContact OE2-NZ 3.68Å; E42-K45 PolarHBondContact OE2-NZ 2.62Å; L43-K45 PolarHBondContact O-N 2.89Å; K45-R572 PolarHBondContact NZ-O 3.25Å
46	I	96.2	Very high	95.6	Very high	9 Å²	9	27 Å²	27	5%	0.046	14%	0.138	C	C	.	.			trans	-84.4	120	177.9	-56	-56.8	0	0	0	109.4	L41 L43 F48 F49 L356 R376	L41-I46 HydrophobicContact CD1-CD1 4.47Å; L41-I46 HydrophobicContact CD2-CD1 4.34Å; L41-I46 HydrophobicContact CD2-CG1 4.03Å; L43-I46 WeakPolarHBondContact O-CB 3.49Å; L43-I46 PolarHBondContact O-N 3.39Å; I46-F48 WeakPolarHBondContact CG2-O 3.3Å; I46-F49 HydrophobicContact CB-CE1 4.36Å; I46-F49 HydrophobicContact CB-CE2 4.32Å; I46-F49 HydrophobicContact CB-CZ 3.92Å; I46-F49 HydrophobicContact CG2-CD1 4.08Å; I46-F49 HydrophobicContact CG2-CD2 4.11Å; I46-F49 HydrophobicContact CG2-CE1 3.74Å; I46-F49 HydrophobicContact CG2-CE2 3.76Å; I46-F49 HydrophobicContact CG2-CG 4.26Å; I46-F49 HydrophobicContact CG2-CZ 3.56Å; I46-L356 HydrophobicContact CD1-CB 4.14Å; I46-L356 HydrophobicContact CG1-CB 4.2Å; I46-L356 HydrophobicContact CG2-CB 3.73Å; I46-R376 HydrophobicContact CD1-CB 4.4Å; I46-R376 HydrophobicContact CD1-CG 4.07Å
47	K	97	Very high	95.7	Very high	112 Å²	112	25.4 Å²	25.4	49%	0.487	13%	0.131	S	C	.	.			trans	-104.2	-16.3	176.9	-62.4	-179.2	-176.2	162.3	0	112.7	A260 K261 E354	K47-A260 CarbonylContact O-C 3.45Å; K47-A260 WeakPolarHBondContact O-CA 3.28Å; K47-K261 PolarHBondContact O-N 2.82Å; K47-E354 HydrophobicContact CB-CB 4.25Å; K47-E354 HydrophobicContact CD-CG 4.42Å; K47-E354 WeakPolarHBondContact CE-OE1 3.5Å; K47-E354 HydrophobicContact CG-CB 4.41Å; K47-E354 PolarHBondContact N-O 3.33Å; K47-E354 IonicContact NZ-OE1 3.26Å; K47-E354 PolarHBondContact NZ-OE1 3.25Å
48	F	97.7	Very high	95.8	Very high	14 Å²	14	23.6 Å²	23.6	6%	0.061	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	121.6	-177	-52.2	-92	0	0	0	110.6	I46 K261 F263 L348 A350 E354 V355 L356	I46-F48 WeakPolarHBondContact CG2-O 3.3Å; F48-K261 CarbonylContact C-O 3.56Å; F48-K261 VanDerWaalsContact CA-O 3.29Å; F48-K261 WeakPolarHBondContact CA-O 3.4Å; F48-K261 HydrophobicContact CD1-CB 3.82Å; F48-K261 HydrophobicContact CD1-CD 4.26Å; F48-K261 HydrophobicContact CE1-CB 4.23Å; F48-K261 HydrophobicContact CE1-CD 3.83Å; F48-K261 HydrophobicContact CE1-CG 4.48Å; F48-F263 HydrophobicContact CB-CE1 4.22Å; F48-L348 HydrophobicContact CD1-CD1 4.3Å; F48-L348 HydrophobicContact CD1-CD2 3.58Å; F48-L348 HydrophobicContact CD1-CG 3.7Å; F48-L348 HydrophobicContact CE1-CD1 4.2Å; F48-L348 HydrophobicContact CE1-CD2 4.03Å; F48-L348 HydrophobicContact CE1-CG 3.6Å; F48-L348 HydrophobicContact CG-CD2 4.35Å; F48-A350 HydrophobicContact CD1-CB 4.17Å; F48-A350 HydrophobicContact CD2-CB 3.78Å; F48-A350 HydrophobicContact CE1-CB 4.14Å; F48-A350 HydrophobicContact CE2-CB 3.8Å; F48-A350 HydrophobicContact CG-CB 3.98Å; F48-A350 HydrophobicContact CZ-CB 3.97Å; F48-E354 HydrophobicContact CD2-CB 4.21Å; F48-E354 HydrophobicContact CE2-CB 4.43Å; F48-E354 PolarHBondContact N-O 2.81Å; F48-V355 HydrophobicContact CB-CB 4.49Å; F48-V355 HydrophobicContact CB-CG1 4.4Å; F48-V355 HydrophobicContact CB-CG2 4.09Å; F48-V355 HydrophobicContact CD2-CG2 4.28Å; F48-V355 HydrophobicContact CG-CG2 4.46Å; F48-V355 CarbonylContact O-C 3.18Å; F48-V355 WeakPolarHBondContact O-CA 3.12Å; F48-L356 PolarHBondContact O-N 3.43Å
49	F	98.1	Very high	95.7	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113.7	172.6	-67.4	-87.9	0	0	0	109.5	L43 I46 F51 M255 A260 K261 T262 F263 L356 F482	L43-F49 HydrophobicContact CD2-CE1 4.2Å; L43-F49 HydrophobicContact CD2-CZ 4.4Å; I46-F49 HydrophobicContact CB-CE1 4.36Å; I46-F49 HydrophobicContact CB-CE2 4.32Å; I46-F49 HydrophobicContact CB-CZ 3.92Å; I46-F49 HydrophobicContact CG2-CD1 4.08Å; I46-F49 HydrophobicContact CG2-CD2 4.11Å; I46-F49 HydrophobicContact CG2-CE1 3.74Å; I46-F49 HydrophobicContact CG2-CE2 3.76Å; I46-F49 HydrophobicContact CG2-CG 4.26Å; I46-F49 HydrophobicContact CG2-CZ 3.56Å; F49-F51 HydrophobicContact CB-CE2 3.8Å; F49-F51 HydrophobicContact CB-CZ 4.36Å; F49-M255 HydrophobicContact CB-SD 3.8Å; F49-M255 HydrophobicContact CD1-CE 3.58Å; F49-M255 HydrophobicContact CD1-SD 3.87Å; F49-M255 HydrophobicContact CD2-CB 4.12Å; F49-M255 HydrophobicContact CD2-CG 4Å; F49-M255 HydrophobicContact CD2-SD 4.02Å; F49-M255 HydrophobicContact CE1-CE 3.86Å; F49-M255 HydrophobicContact CE1-SD 4.45Å; F49-M255 HydrophobicContact CE2-CB 4.39Å; F49-M255 HydrophobicContact CE2-CG 4.14Å; F49-M255 HydrophobicContact CG-CE 4Å; F49-M255 HydrophobicContact CG-CG 4.2Å; F49-M255 HydrophobicContact CG-SD 3.62Å; F49-M255 HydrophobicContact CZ-CG 4.46Å; F49-A260 HydrophobicContact CD2-CB 3.79Å; F49-A260 HydrophobicContact CE2-CB 3.64Å; F49-K261 PolarHBondContact N-O 2.67Å; F49-T262 HydrophobicContact CB-CG2 4.34Å; F49-T262 CarbonylContact O-C 3.36Å; F49-T262 VanDerWaalsContact O-CA 3.29Å; F49-T262 WeakPolarHBondContact O-CA 3.44Å; F49-F263 PolarHBondContact O-N 2.95Å; F49-L356 WeakPolarHBondContact CA-O 3.33Å; F49-L356 HydrophobicContact CD1-CB 4.1Å; F49-L356 HydrophobicContact CD1-CD2 4.04Å; F49-L356 HydrophobicContact CD1-CG 4.47Å; F49-L356 HydrophobicContact CE1-CB 4.26Å; F49-L356 HydrophobicContact CE1-CD2 3.8Å; F49-F482 HydrophobicContact CE1-CE1 4.45Å; F49-F482 AromaticContact CZ-CD1 3.98Å; F49-F482 HydrophobicContact CZ-CD1 3.98Å; F49-F482 HydrophobicContact CZ-CE1 4.24Å
50	G	96.6	Very high	95.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	140.8	176.7	0	0	0	0	0	111.4	F263 L356 Y357 V358	G50-F263 CarbonylContact C-O 3.46Å; G50-F263 VanDerWaalsContact CA-CE2 3.47Å; G50-F263 WeakPolarHBondContact CA-O 3.41Å; G50-L356 PolarHBondContact N-O 2.96Å; G50-Y357 WeakPolarHBondContact O-CA 3.3Å; G50-V358 PolarHBondContact O-N 3.5Å
51	F	98.2	Very high	95.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.9	-179.6	-65.8	-91.8	0	0	0	111.4	F49 T56 L57 L251 L252 M255 F263 L265 V358 C474	F49-F51 HydrophobicContact CB-CE2 3.8Å; F49-F51 HydrophobicContact CB-CZ 4.36Å; F51-T56 HydrophobicContact CD1-CG2 4.37Å; F51-L57 HydrophobicContact CB-CD1 3.78Å; F51-L57 HydrophobicContact CB-CD2 4.39Å; F51-L57 HydrophobicContact CB-CG 4.05Å; F51-L57 HydrophobicContact CD1-CD2 3.71Å; F51-L57 HydrophobicContact CD1-CG 4.21Å; F51-L57 HydrophobicContact CE1-CD2 4.2Å; F51-L57 HydrophobicContact CG-CD1 4.25Å; F51-L57 HydrophobicContact CG-CD2 4.13Å; F51-L57 HydrophobicContact CG-CG 4.33Å; F51-L251 HydrophobicContact CE1-CD2 4.3Å; F51-L251 HydrophobicContact CZ-CD2 4.36Å; F51-L252 HydrophobicContact CD2-CD2 4.19Å; F51-L252 HydrophobicContact CE2-CD2 3.73Å; F51-L252 HydrophobicContact CZ-CD2 4.16Å; F51-M255 HydrophobicContact CE2-SD 3.92Å; F51-M255 HydrophobicContact CZ-CE 3.81Å; F51-M255 HydrophobicContact CZ-SD 3.64Å; F51-F263 PolarHBondContact N-O 2.85Å; F51-L265 PolarHBondContact O-N 3.44Å; F51-V358 WeakPolarHBondContact CA-O 3.17Å; F51-V358 HydrophobicContact CD1-CB 3.69Å; F51-V358 HydrophobicContact CD1-CG1 4.07Å; F51-V358 HydrophobicContact CD1-CG2 3.95Å; F51-V358 HydrophobicContact CE1-CB 3.96Å; F51-V358 HydrophobicContact CE1-CG1 4.19Å; F51-V358 HydrophobicContact CE1-CG2 3.73Å; F51-V358 HydrophobicContact CG-CB 4.43Å; F51-V358 HydrophobicContact CZ-CG2 4.27Å; F51-C474 HydrophobicContact CE1-CB 4.21Å
52	D	97.2	Very high	95.3	Very high	13 Å²	13	26.6 Å²	26.6	7%	0.07	14%	0.142	C	C	.	.			trans	-70.5	160.6	152.1	-160.6	5.4	0	0	0	110.5	T56 L57 K301 V358	D52-T56 HydrophobicContact CB-CG2 4.37Å; D52-T56 VanDerWaalsContact O-CB 3.29Å; D52-T56 WeakPolarHBondContact O-CB 3.47Å; D52-T56 VanDerWaalsContact O-CG2 3.32Å; D52-T56 WeakPolarHBondContact O-CG2 3.39Å; D52-L57 WeakPolarHBondContact O-CG 3.19Å; D52-K301 IonicContact OD1-NZ 2.65Å; D52-K301 PolarHBondContact OD1-NZ 3.06Å; D52-K301 IonicContact OD2-NZ 3.87Å; D52-K301 PolarHBondContact OD2-NZ 3.04Å; D52-V358 PolarHBondContact N-O 3.44Å
53	M	97.9	Very high	94.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-89	-68.1	174.1	-175.1	-177.6	72.2	0	0	110.8	Y55 T56 L57 A58 L264 T266 Y272 T273 V276 M277	M53-Y55 PolarHBondContact O-N 2.98Å; M53-T56 PolarHBondContact O-N 3.46Å; M53-T56 VanDerWaalsContact O-N 3.16Å; M53-L57 PolarHBondContact O-N 3.4Å; M53-A58 HydrophobicContact CG-CB 4.12Å; M53-A58 PolarHBondContact O-N 2.77Å; M53-L264 HydrophobicContact CB-CD1 4.12Å; M53-T266 HydrophobicContact CB-CG2 4.47Å; M53-Y272 HydrophobicContact CE-CD1 3.89Å; M53-Y272 HydrophobicContact CE-CE1 3.87Å; M53-T273 HydrophobicContact SD-CG2 3.83Å; M53-V276 HydrophobicContact SD-CB 4.17Å; M53-V276 HydrophobicContact SD-CG1 4.03Å; M53-M277 HydrophobicContact CG-SD 3.8Å; M53-M277 HydrophobicContact SD-CG 3.97Å; M53-M277 HydrophobicContact SD-SD 3.96Å
54	D	95.3	Very high	94.7	Very high	14 Å²	14	27.1 Å²	27.1	8%	0.075	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-64.4	131.8	-169.5	-69.7	-61.2	0	0	0	110.8	T56 Y60 F173 S268	D54-T56 PolarHBondContact O-N 2.75Å; D54-T56 PolarHBondContact O-OG1 3.39Å; D54-Y60 HydrophobicContact CB-CE2 4.2Å; D54-Y60 WeakPolarHBondContact OD1-CE2 3.16Å; D54-Y60 PolarHBondContact OD1-OH 3.03Å; D54-F173 HydrophobicContact CB-CE2 3.94Å; D54-F173 HydrophobicContact CB-CZ 3.82Å; D54-S268 PolarHBondContact OD2-OG 2.84Å
55	Y	93.7	Very high	94.6	Very high	14 Å²	14	25.2 Å²	25.2	6%	0.055	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	7.5	-173.9	-70.2	-72.5	0	0	0	116.7	M53 A58 Y60 L172 F173	M53-Y55 PolarHBondContact O-N 2.98Å; Y55-A58 WeakPolarHBondContact CA-O 3.46Å; Y55-A58 PolarHBondContact N-O 3.48Å; Y55-Y60 AromaticContact CD1-CD2 3.98Å; Y55-Y60 HydrophobicContact CD1-CD2 3.98Å; Y55-Y60 HydrophobicContact CD2-CD2 4.02Å; Y55-Y60 HydrophobicContact CD2-CE2 4.37Å; Y55-Y60 AromaticContact CE1-CD2 3.8Å; Y55-Y60 HydrophobicContact CE1-CD2 3.8Å; Y55-Y60 HydrophobicContact CE1-CG 4.24Å; Y55-Y60 AromaticContact CE2-CD2 3.85Å; Y55-Y60 HydrophobicContact CE2-CD2 3.85Å; Y55-Y60 HydrophobicContact CE2-CE2 4.38Å; Y55-Y60 HydrophobicContact CG-CD2 4.09Å; Y55-Y60 AromaticContact CZ-CD2 3.73Å; Y55-L172 HydrophobicContact CD1-CB 3.81Å; Y55-L172 HydrophobicContact CD1-CD1 3.53Å; Y55-L172 HydrophobicContact CD1-CG 4.25Å; Y55-L172 HydrophobicContact CD2-CB 3.65Å; Y55-L172 HydrophobicContact CD2-CD1 4.29Å; Y55-L172 HydrophobicContact CE1-CB 3.76Å; Y55-L172 HydrophobicContact CE1-CD1 4.22Å; Y55-L172 HydrophobicContact CE2-CB 3.59Å; Y55-L172 HydrophobicContact CG-CB 3.75Å; Y55-L172 HydrophobicContact CG-CD1 3.56Å; Y55-L172 HydrophobicContact CG-CG 4.29Å; Y55-F173 AromaticContact CD2-CD2 3.88Å; Y55-F173 HydrophobicContact CD2-CD2 3.88Å; Y55-F173 HydrophobicContact CD2-CE1 4.28Å; Y55-F173 AromaticContact CD2-CE2 3.5Å; Y55-F173 HydrophobicContact CD2-CE2 3.5Å; Y55-F173 VanDerWaalsContact CD2-CE2 3.5Å; Y55-F173 HydrophobicContact CD2-CG 4.42Å; Y55-F173 AromaticContact CD2-CZ 3.72Å; Y55-F173 HydrophobicContact CD2-CZ 3.72Å; Y55-F173 AromaticContact CE2-CD1 3.73Å; Y55-F173 HydrophobicContact CE2-CD1 3.73Å; Y55-F173 AromaticContact CE2-CD2 3.7Å; Y55-F173 HydrophobicContact CE2-CD2 3.7Å; Y55-F173 AromaticContact CE2-CE1 3.61Å; Y55-F173 HydrophobicContact CE2-CE1 3.61Å; Y55-F173 AromaticContact CE2-CE2 3.58Å; Y55-F173 HydrophobicContact CE2-CE2 3.58Å; Y55-F173 AromaticContact CE2-CG 3.78Å; Y55-F173 HydrophobicContact CE2-CG 3.78Å; Y55-F173 AromaticContact CE2-CZ 3.53Å; Y55-F173 HydrophobicContact CE2-CZ 3.53Å
56	T	96.7	Very high	94.4	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-61.3	-180	-64.5	0	0	0	0	111.6	F51 D52 M53 D54 V358 G359 D360 V380 C474	F51-T56 HydrophobicContact CD1-CG2 4.37Å; D52-T56 HydrophobicContact CB-CG2 4.37Å; D52-T56 VanDerWaalsContact O-CB 3.29Å; D52-T56 WeakPolarHBondContact O-CB 3.47Å; D52-T56 VanDerWaalsContact O-CG2 3.32Å; D52-T56 WeakPolarHBondContact O-CG2 3.39Å; M53-T56 PolarHBondContact O-N 3.46Å; M53-T56 VanDerWaalsContact O-N 3.16Å; D54-T56 PolarHBondContact O-N 2.75Å; D54-T56 PolarHBondContact O-OG1 3.39Å; T56-V358 HydrophobicContact CG2-CB 4.38Å; T56-V358 HydrophobicContact CG2-CG1 3.9Å; T56-G359 WeakPolarHBondContact OG1-CA 3.48Å; T56-D360 PolarHBondContact OG1-N 2.95Å; T56-V380 HydrophobicContact CG2-CG2 4.19Å; T56-C474 PolarHBondContact O-SG 2.9Å
57	L	98.2	Very high	94.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-41.6	168.1	-63.9	176.1	0	0	0	110.2	F51 D52 M53 S59 I248 L264 M277 F292	F51-L57 HydrophobicContact CB-CD1 3.78Å; F51-L57 HydrophobicContact CB-CD2 4.39Å; F51-L57 HydrophobicContact CB-CG 4.05Å; F51-L57 HydrophobicContact CD1-CD2 3.71Å; F51-L57 HydrophobicContact CD1-CG 4.21Å; F51-L57 HydrophobicContact CE1-CD2 4.2Å; F51-L57 HydrophobicContact CG-CD1 4.25Å; F51-L57 HydrophobicContact CG-CD2 4.13Å; F51-L57 HydrophobicContact CG-CG 4.33Å; D52-L57 WeakPolarHBondContact O-CG 3.19Å; M53-L57 PolarHBondContact O-N 3.4Å; L57-S59 PolarHBondContact O-N 3.4Å; L57-I248 HydrophobicContact CD2-CG2 3.77Å; L57-I248 WeakPolarHBondContact O-CD1 3.43Å; L57-L264 HydrophobicContact CD1-CD1 3.84Å; L57-M277 HydrophobicContact CD1-CE 3.98Å; L57-F292 HydrophobicContact CD1-CE1 4.4Å; L57-F292 HydrophobicContact CD1-CZ 3.98Å
58	A	97.4	Very high	94.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-95.1	90.2	178	0	0	0	0	0	110.3	M53 Y55 I242 V276 L280	M53-A58 HydrophobicContact CG-CB 4.12Å; M53-A58 PolarHBondContact O-N 2.77Å; Y55-A58 WeakPolarHBondContact CA-O 3.46Å; Y55-A58 PolarHBondContact N-O 3.48Å; A58-I242 HydrophobicContact CB-CG2 4.48Å; A58-V276 HydrophobicContact CB-CG1 3.79Å; A58-L280 HydrophobicContact CB-CD1 3.7Å
59	S	93.2	Very high	93.9	Very high	38 Å²	38	19.1 Å²	19.1	27%	0.266	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	128.4	172.8	-56.9	0	0	0	0	110.9	L57 H243	L57-S59 PolarHBondContact O-N 3.4Å; S59-H243 PolarHBondContact O-N 2.84Å
60	Y	93.6	Very high	93.7	Very high	14 Å²	14	19.2 Å²	19.2	6%	0.055	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	145	178	-65.7	-86.9	0	0	0	111.8	D54 Y55 T62 Y65 F173 T234 Y241 I242 Y272	D54-Y60 HydrophobicContact CB-CE2 4.2Å; D54-Y60 WeakPolarHBondContact OD1-CE2 3.16Å; D54-Y60 PolarHBondContact OD1-OH 3.03Å; Y55-Y60 AromaticContact CD1-CD2 3.98Å; Y55-Y60 HydrophobicContact CD1-CD2 3.98Å; Y55-Y60 HydrophobicContact CD2-CD2 4.02Å; Y55-Y60 HydrophobicContact CD2-CE2 4.37Å; Y55-Y60 AromaticContact CE1-CD2 3.8Å; Y55-Y60 HydrophobicContact CE1-CD2 3.8Å; Y55-Y60 HydrophobicContact CE1-CG 4.24Å; Y55-Y60 AromaticContact CE2-CD2 3.85Å; Y55-Y60 HydrophobicContact CE2-CD2 3.85Å; Y55-Y60 HydrophobicContact CE2-CE2 4.38Å; Y55-Y60 HydrophobicContact CG-CD2 4.09Å; Y55-Y60 AromaticContact CZ-CD2 3.73Å; Y60-T62 PolarHBondContact O-N 3.1Å; Y60-Y65 AromaticContact CD1-CD1 3.59Å; Y60-Y65 HydrophobicContact CD1-CD1 3.59Å; Y60-Y65 AromaticContact CD1-CD2 3.77Å; Y60-Y65 HydrophobicContact CD1-CD2 3.77Å; Y60-Y65 AromaticContact CD1-CE1 3.43Å; Y60-Y65 HydrophobicContact CD1-CE1 3.43Å; Y60-Y65 VanDerWaalsContact CD1-CE1 3.43Å; Y60-Y65 AromaticContact CD1-CE2 3.62Å; Y60-Y65 HydrophobicContact CD1-CE2 3.62Å; Y60-Y65 AromaticContact CD1-CG 3.74Å; Y60-Y65 HydrophobicContact CD1-CG 3.74Å; Y60-Y65 AromaticContact CD1-CZ 3.43Å; Y60-Y65 VanDerWaalsContact CD1-CZ 3.43Å; Y60-Y65 HydrophobicContact CD2-CD1 4.38Å; Y60-Y65 HydrophobicContact CD2-CE1 4.08Å; Y60-Y65 HydrophobicContact CE1-CD1 4.41Å; Y60-Y65 HydrophobicContact CE1-CD2 4.38Å; Y60-Y65 AromaticContact CE1-CE1 3.8Å; Y60-Y65 HydrophobicContact CE1-CE1 3.8Å; Y60-Y65 AromaticContact CE1-CE2 3.78Å; Y60-Y65 HydrophobicContact CE1-CE2 3.78Å; Y60-Y65 AromaticContact CE1-CZ 3.42Å; Y60-Y65 VanDerWaalsContact CE1-CZ 3.42Å; Y60-Y65 HydrophobicContact CE2-CE1 4.4Å; Y60-Y65 AromaticContact CG-CD1 3.57Å; Y60-Y65 HydrophobicContact CG-CD1 3.57Å; Y60-Y65 AromaticContact CG-CE1 3.58Å; Y60-Y65 HydrophobicContact CG-CE1 3.58Å; Y60-Y65 HydrophobicContact CG-CG 4.05Å; Y60-F173 HydrophobicContact CE2-CE1 4.44Å; Y60-F173 HydrophobicContact CE2-CZ 4.12Å; Y60-T234 HydrophobicContact CE1-CG2 4.2Å; Y60-Y241 CarbonylContact C-O 3.4Å; Y60-Y241 VanDerWaalsContact CA-O 3.28Å; Y60-Y241 WeakPolarHBondContact CA-O 3.47Å; Y60-I242 HydrophobicContact CD1-CG1 3.95Å; Y60-I242 HydrophobicContact CE1-CD1 3.99Å; Y60-I242 HydrophobicContact CE1-CG1 3.85Å; Y60-Y272 PolarHBondContact OH-OH 3.49Å
61	K	91	Very high	93.7	Very high	73 Å²	73	24.4 Å²	24.4	32%	0.317	13%	0.131	S	C	.	.			trans	-81.4	113.9	-176.9	-66.7	-176.8	178	-177.7	0	111.1	A64 Y65 E239 R240 Y241 I242 H243	K61-A64 PolarHBondContact O-N 3.47Å; K61-Y65 WeakPolarHBondContact O-CB 3.44Å; K61-Y65 PolarHBondContact O-N 3.28Å; K61-E239 WeakPolarHBondContact CE-O 3.5Å; K61-E239 PolarHBondContact NZ-O 3.3Å; K61-R240 WeakPolarHBondContact CD-O 3.28Å; K61-Y241 PolarHBondContact N-O 3.04Å; K61-I242 WeakPolarHBondContact CE-O 3.5Å; K61-H243 HydrophobicContact CG-CB 4.29Å
62	T	85.5	Confident	93.6	Very high	66 Å²	66	24.8 Å²	24.8	41%	0.405	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	140	170.8	-66.4	0	0	0	0	111	Y60 E66	Y60-T62 PolarHBondContact O-N 3.1Å; T62-E66 WeakPolarHBondContact CB-OE1 3.35Å; T62-E66 VanDerWaalsContact CG2-OE1 3.3Å; T62-E66 WeakPolarHBondContact CG2-OE1 3.31Å; T62-E66 VanDerWaalsContact CG2-OE2 3.32Å; T62-E66 WeakPolarHBondContact CG2-OE2 3.18Å; T62-E66 PolarHBondContact OG1-OE1 3.32Å
63	P	86.1	Confident	93.5	Very high	50 Å²	50	24.5 Å²	24.5	33%	0.325	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.5	3.8	-2.1	37.6	-37	0	0	0	113.7	Y65 E66 T67 Y91 S93	P63-Y65 VanDerWaalsContact C-N 3.35Å; P63-Y65 PolarHBondContact O-N 2.8Å; P63-E66 PolarHBondContact O-N 2.92Å; P63-T67 VanDerWaalsContact O-CB 3.31Å; P63-T67 WeakPolarHBondContact O-CB 3.44Å; P63-T67 PolarHBondContact O-N 3.08Å; P63-T67 PolarHBondContact O-OG1 3.15Å; P63-Y91 HydrophobicContact CB-CD1 4.48Å; P63-Y91 HydrophobicContact CB-CE1 4.17Å; P63-S93 WeakPolarHBondContact CB-OG 3.39Å; P63-S93 WeakPolarHBondContact CG-OG 3.33Å
64	A	90.4	Very high	93.5	Very high	31 Å²	31	24.7 Å²	24.7	26%	0.256	13%	0.133	S	C	.	.	H	α-helix	trans	-58.1	-44.7	-171.9	0	0	0	0	0	112.7	K61 L68 Y241	K61-A64 PolarHBondContact O-N 3.47Å; A64-L68 PolarHBondContact O-N 3.41Å; A64-Y241 HydrophobicContact CB-CD1 4.28Å; A64-Y241 HydrophobicContact CB-CE1 4.33Å
65	Y	92.1	Very high	93.5	Very high	6 Å²	6	27.6 Å²	27.6	2%	0.024	15%	0.146	C	C	.	.	H	α-helix	trans	-73.5	-40.7	-179.2	-166.4	-116.4	0	0	0	113	Y60 K61 P63 T67 L68 G69 F173 M230 T234 Y241	Y60-Y65 AromaticContact CD1-CD1 3.59Å; Y60-Y65 HydrophobicContact CD1-CD1 3.59Å; Y60-Y65 AromaticContact CD1-CD2 3.77Å; Y60-Y65 HydrophobicContact CD1-CD2 3.77Å; Y60-Y65 AromaticContact CD1-CE1 3.43Å; Y60-Y65 HydrophobicContact CD1-CE1 3.43Å; Y60-Y65 VanDerWaalsContact CD1-CE1 3.43Å; Y60-Y65 AromaticContact CD1-CE2 3.62Å; Y60-Y65 HydrophobicContact CD1-CE2 3.62Å; Y60-Y65 AromaticContact CD1-CG 3.74Å; Y60-Y65 HydrophobicContact CD1-CG 3.74Å; Y60-Y65 AromaticContact CD1-CZ 3.43Å; Y60-Y65 VanDerWaalsContact CD1-CZ 3.43Å; Y60-Y65 HydrophobicContact CD2-CD1 4.38Å; Y60-Y65 HydrophobicContact CD2-CE1 4.08Å; Y60-Y65 HydrophobicContact CE1-CD1 4.41Å; Y60-Y65 HydrophobicContact CE1-CD2 4.38Å; Y60-Y65 AromaticContact CE1-CE1 3.8Å; Y60-Y65 HydrophobicContact CE1-CE1 3.8Å; Y60-Y65 AromaticContact CE1-CE2 3.78Å; Y60-Y65 HydrophobicContact CE1-CE2 3.78Å; Y60-Y65 AromaticContact CE1-CZ 3.42Å; Y60-Y65 VanDerWaalsContact CE1-CZ 3.42Å; Y60-Y65 HydrophobicContact CE2-CE1 4.4Å; Y60-Y65 AromaticContact CG-CD1 3.57Å; Y60-Y65 HydrophobicContact CG-CD1 3.57Å; Y60-Y65 AromaticContact CG-CE1 3.58Å; Y60-Y65 HydrophobicContact CG-CE1 3.58Å; Y60-Y65 HydrophobicContact CG-CG 4.05Å; K61-Y65 WeakPolarHBondContact O-CB 3.44Å; K61-Y65 PolarHBondContact O-N 3.28Å; P63-Y65 VanDerWaalsContact C-N 3.35Å; P63-Y65 PolarHBondContact O-N 2.8Å; Y65-T67 VanDerWaalsContact C-N 3.34Å; Y65-T67 PolarHBondContact O-N 3.19Å; Y65-L68 HydrophobicContact CD2-CD2 4.49Å; Y65-L68 WeakPolarHBondContact O-CB 3.5Å; Y65-L68 PolarHBondContact O-N 3.47Å; Y65-G69 PolarHBondContact O-N 2.95Å; Y65-F173 HydrophobicContact CE1-CD1 4.39Å; Y65-F173 AromaticContact CE1-CE1 3.94Å; Y65-F173 HydrophobicContact CE1-CE1 3.94Å; Y65-M230 HydrophobicContact CD1-CE 4.25Å; Y65-M230 HydrophobicContact CD2-CE 4.33Å; Y65-M230 HydrophobicContact CE1-CE 3.75Å; Y65-M230 HydrophobicContact CE2-CE 3.81Å; Y65-T234 HydrophobicContact CE2-CG2 4.07Å; Y65-T234 WeakPolarHBondContact CE2-OG1 3.36Å; Y65-Y241 AromaticContact CD2-CD1 3.92Å; Y65-Y241 HydrophobicContact CD2-CD1 3.92Å; Y65-Y241 HydrophobicContact CD2-CG 4.05Å
66	E	90.8	Very high	93.7	Very high	14 Å²	14	28.7 Å²	28.7	7%	0.065	15%	0.151	C	C	.	.	H	α-helix	trans	-62	-42.7	175.1	-65.1	159.3	-174	0	0	111.3	T62 P63 L68 G69 F70 Y91	T62-E66 WeakPolarHBondContact CB-OE1 3.35Å; T62-E66 VanDerWaalsContact CG2-OE1 3.3Å; T62-E66 WeakPolarHBondContact CG2-OE1 3.31Å; T62-E66 VanDerWaalsContact CG2-OE2 3.32Å; T62-E66 WeakPolarHBondContact CG2-OE2 3.18Å; T62-E66 PolarHBondContact OG1-OE1 3.32Å; P63-E66 PolarHBondContact O-N 2.92Å; E66-L68 VanDerWaalsContact C-N 3.32Å; E66-L68 PolarHBondContact O-N 3.14Å; E66-G69 PolarHBondContact O-N 3.04Å; E66-F70 WeakPolarHBondContact O-CB 3.45Å; E66-F70 PolarHBondContact O-N 2.82Å; E66-Y91 HydrophobicContact CB-CD1 4.38Å; E66-Y91 HydrophobicContact CB-CE1 3.7Å; E66-Y91 HydrophobicContact CB-CE2 4.49Å; E66-Y91 WeakPolarHBondContact OE2-CE1 3.35Å; E66-Y91 PolarHBondContact OE2-OH 3.23Å; E66-Y91 VanDerWaalsContact OE2-OH 3.05Å
67	T	92.3	Very high	93.7	Very high	56 Å²	56	28.6 Å²	28.6	34%	0.344	15%	0.151	S	C	.	.	H	α-helix	trans	-61.7	-40.3	176.4	-55.9	0	0	0	0	111.5	P63 Y65 R71 Y91	P63-T67 VanDerWaalsContact O-CB 3.31Å; P63-T67 WeakPolarHBondContact O-CB 3.44Å; P63-T67 PolarHBondContact O-N 3.08Å; P63-T67 PolarHBondContact O-OG1 3.15Å; Y65-T67 VanDerWaalsContact C-N 3.34Å; Y65-T67 PolarHBondContact O-N 3.19Å; T67-R71 WeakPolarHBondContact O-CB 3.34Å; T67-R71 PolarHBondContact O-N 3.48Å; T67-Y91 WeakPolarHBondContact OG1-CD1 3.4Å
68	L	94.5	Very high	93.7	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-50.6	174.4	173.8	64.5	0	0	0	110.7	A64 Y65 E66 R71 L72 M230 I233 Y241	A64-L68 PolarHBondContact O-N 3.41Å; Y65-L68 HydrophobicContact CD2-CD2 4.49Å; Y65-L68 WeakPolarHBondContact O-CB 3.5Å; Y65-L68 PolarHBondContact O-N 3.47Å; E66-L68 VanDerWaalsContact C-N 3.32Å; E66-L68 PolarHBondContact O-N 3.14Å; L68-R71 VanDerWaalsContact CD1-NH2 3.28Å; L68-R71 PolarHBondContact O-N 2.89Å; L68-L72 HydrophobicContact CD1-CD1 3.77Å; L68-L72 HydrophobicContact CD1-CG 4.04Å; L68-L72 HydrophobicContact CG-CD1 3.98Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.23Å; L68-L72 PolarHBondContact O-N 3.15Å; L68-M230 HydrophobicContact CD2-CG 4.24Å; L68-M230 HydrophobicContact CG-CG 4.47Å; L68-I233 HydrophobicContact CD1-CD1 4.13Å; L68-I233 HydrophobicContact CD1-CG2 3.98Å; L68-I233 HydrophobicContact CD2-CB 4.31Å; L68-I233 HydrophobicContact CD2-CG2 3.85Å; L68-Y241 HydrophobicContact CB-CE1 4.1Å; L68-Y241 HydrophobicContact CD2-CD1 4.47Å; L68-Y241 HydrophobicContact CD2-CE1 3.97Å; L68-Y241 HydrophobicContact CD2-CE2 4.05Å
69	G	93.8	Very high	93.7	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-58.8	-49.4	178.5	0	0	0	0	0	112.1	Y65 E66 R71 L72 V73	Y65-G69 PolarHBondContact O-N 2.95Å; E66-G69 PolarHBondContact O-N 3.04Å; G69-R71 PolarHBondContact O-N 2.57Å; G69-L72 PolarHBondContact O-N 3.42Å; G69-V73 VanDerWaalsContact O-CG2 3.26Å; G69-V73 WeakPolarHBondContact O-CG2 3.41Å; G69-V73 PolarHBondContact O-N 2.98Å
70	F	93.1	Very high	93.8	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.022	20%	0.195	C	C	.	.	H	α-helix	trans	-55	-50.6	178.1	-179.2	-97.5	0	0	0	112.4	E66 V73 I74 L89 Y91 P176 Y179 L180	E66-F70 WeakPolarHBondContact O-CB 3.45Å; E66-F70 PolarHBondContact O-N 2.82Å; F70-V73 PolarHBondContact O-N 3.41Å; F70-I74 HydrophobicContact CD1-CD1 3.84Å; F70-I74 HydrophobicContact CE1-CD1 3.25Å; F70-I74 HydrophobicContact CE1-CG1 4.42Å; F70-I74 HydrophobicContact CE2-CD1 4.1Å; F70-I74 HydrophobicContact CZ-CD1 3.42Å; F70-I74 VanDerWaalsContact CZ-CD1 3.42Å; F70-I74 HydrophobicContact CZ-CG1 4.49Å; F70-I74 WeakPolarHBondContact O-CG1 3.33Å; F70-I74 PolarHBondContact O-N 2.97Å; F70-I74 VanDerWaalsContact O-N 3.1Å; F70-L89 HydrophobicContact CE1-CB 4.24Å; F70-L89 HydrophobicContact CZ-CB 4.14Å; F70-Y91 HydrophobicContact CB-CD2 3.9Å; F70-Y91 HydrophobicContact CB-CG 4.24Å; F70-Y91 HydrophobicContact CD1-CD2 4.41Å; F70-Y91 AromaticContact CD2-CD2 3.9Å; F70-Y91 HydrophobicContact CD2-CD2 3.9Å; F70-Y91 AromaticContact CG-CD2 3.81Å; F70-Y91 HydrophobicContact CG-CD2 3.81Å; F70-Y91 HydrophobicContact CG-CG 4.27Å; F70-P176 HydrophobicContact CB-CB 4.14Å; F70-Y179 AromaticContact CD2-CD1 3.97Å; F70-Y179 HydrophobicContact CD2-CD1 3.97Å; F70-Y179 AromaticContact CE2-CD1 3.4Å; F70-Y179 HydrophobicContact CE2-CD1 3.4Å; F70-Y179 VanDerWaalsContact CE2-CD1 3.4Å; F70-Y179 AromaticContact CE2-CE1 3.98Å; F70-Y179 HydrophobicContact CE2-CE1 3.98Å; F70-Y179 HydrophobicContact CE2-CG 4.43Å; F70-Y179 AromaticContact CZ-CD1 3.81Å; F70-Y179 HydrophobicContact CZ-CD1 3.81Å; F70-Y179 AromaticContact CZ-CE1 3.89Å; F70-Y179 HydrophobicContact CZ-CE1 3.89Å; F70-L180 HydrophobicContact CD2-CB 4.05Å; F70-L180 HydrophobicContact CD2-CD1 4.45Å; F70-L180 HydrophobicContact CE2-CB 3.85Å; F70-L180 HydrophobicContact CE2-CD1 3.86Å; F70-L180 HydrophobicContact CE2-CG 4.45Å; F70-L180 HydrophobicContact CZ-CD1 4.4Å
71	R	95.5	Very high	93.8	Very high	108 Å²	108	38.7 Å²	38.7	41%	0.408	23%	0.225	S	C	.	.	H	α-helix	trans	-61.4	-47.1	179.8	-179.2	179.3	59	78.2	3.3	112	T67 L68 G69 V73 I74 E75	T67-R71 WeakPolarHBondContact O-CB 3.34Å; T67-R71 PolarHBondContact O-N 3.48Å; L68-R71 VanDerWaalsContact CD1-NH2 3.28Å; L68-R71 PolarHBondContact O-N 2.89Å; G69-R71 PolarHBondContact O-N 2.57Å; R71-V73 VanDerWaalsContact C-N 3.3Å; R71-V73 PolarHBondContact O-N 2.81Å; R71-I74 PolarHBondContact O-N 3.46Å; R71-E75 HydrophobicContact CG-CG 4.47Å; R71-E75 WeakPolarHBondContact CG-OE1 3.49Å; R71-E75 IonicContact CZ-OE1 2.88Å; R71-E75 VanDerWaalsContact NH1-CD 3.34Å; R71-E75 IonicContact NH1-OE1 3.52Å; R71-E75 PolarHBondContact NH1-OE1 3.32Å; R71-E75 IonicContact NH1-OE2 3.95Å; R71-E75 PolarHBondContact NH1-OE2 2.66Å; R71-E75 WeakPolarHBondContact O-CG 3.47Å; R71-E75 PolarHBondContact O-N 2.78Å
72	L	96.3	Very high	94	Very high	9 Å²	9	36 Å²	36	5%	0.047	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-35.9	-178.6	-70	176.2	0	0	0	112.4	L68 G69 E75 H76 V224 M230 I233	L68-L72 HydrophobicContact CD1-CD1 3.77Å; L68-L72 HydrophobicContact CD1-CG 4.04Å; L68-L72 HydrophobicContact CG-CD1 3.98Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.23Å; L68-L72 PolarHBondContact O-N 3.15Å; G69-L72 PolarHBondContact O-N 3.42Å; L72-E75 PolarHBondContact O-N 2.96Å; L72-H76 PolarHBondContact O-N 3.24Å; L72-V224 HydrophobicContact CB-CG1 3.78Å; L72-V224 HydrophobicContact CB-CG2 4.04Å; L72-V224 HydrophobicContact CD1-CG1 4.1Å; L72-M230 HydrophobicContact CD1-CB 3.57Å; L72-M230 HydrophobicContact CD1-CG 4Å; L72-I233 HydrophobicContact CD1-CD1 4.29Å; L72-I233 HydrophobicContact CD2-CD1 4.25Å
73	V	96.6	Very high	94.4	Very high	6 Å²	6	35.2 Å²	35.2	4%	0.036	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-42.2	176.3	179.1	0	0	0	0	110.5	G69 F70 R71 H76 L77 L180 A220 V221 V224	G69-V73 VanDerWaalsContact O-CG2 3.26Å; G69-V73 WeakPolarHBondContact O-CG2 3.41Å; G69-V73 PolarHBondContact O-N 2.98Å; F70-V73 PolarHBondContact O-N 3.41Å; R71-V73 VanDerWaalsContact C-N 3.3Å; R71-V73 PolarHBondContact O-N 2.81Å; V73-H76 PolarHBondContact O-N 3.2Å; V73-L77 HydrophobicContact CG1-CD1 4.33Å; V73-L77 HydrophobicContact CG1-CG 4.47Å; V73-L77 WeakPolarHBondContact O-CG 3.46Å; V73-L77 PolarHBondContact O-N 3.34Å; V73-L180 HydrophobicContact CB-CD2 3.96Å; V73-L180 HydrophobicContact CG1-CD2 3.25Å; V73-A220 HydrophobicContact CG1-CB 3.79Å; V73-V221 HydrophobicContact CG1-CG2 4.02Å; V73-V221 HydrophobicContact CG2-CG2 3.93Å; V73-V224 HydrophobicContact CG2-CB 4.15Å; V73-V224 HydrophobicContact CG2-CG1 4.36Å; V73-V224 HydrophobicContact CG2-CG2 3.91Å
74	I	96.5	Very high	94.8	Very high	4 Å²	4	38 Å²	38	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-47.1	174.3	-72	179.9	0	0	0	111.5	F70 R71 H76 L77 V78 L86 L87 L89 L180	F70-I74 HydrophobicContact CD1-CD1 3.84Å; F70-I74 HydrophobicContact CE1-CD1 3.25Å; F70-I74 HydrophobicContact CE1-CG1 4.42Å; F70-I74 HydrophobicContact CE2-CD1 4.1Å; F70-I74 HydrophobicContact CZ-CD1 3.42Å; F70-I74 VanDerWaalsContact CZ-CD1 3.42Å; F70-I74 HydrophobicContact CZ-CG1 4.49Å; F70-I74 WeakPolarHBondContact O-CG1 3.33Å; F70-I74 PolarHBondContact O-N 2.97Å; F70-I74 VanDerWaalsContact O-N 3.1Å; R71-I74 PolarHBondContact O-N 3.46Å; I74-H76 PolarHBondContact O-N 3.06Å; I74-L77 PolarHBondContact O-N 3.09Å; I74-L77 VanDerWaalsContact O-N 3.13Å; I74-V78 HydrophobicContact CG2-CG2 4.46Å; I74-V78 WeakPolarHBondContact O-CG2 3.39Å; I74-V78 PolarHBondContact O-N 3.43Å; I74-L86 HydrophobicContact CG2-CB 3.96Å; I74-L86 WeakPolarHBondContact CG2-O 3.24Å; I74-L87 HydrophobicContact CG2-CD2 4.08Å; I74-L89 HydrophobicContact CD1-CB 3.89Å; I74-L89 HydrophobicContact CD1-CD1 4.28Å; I74-L180 HydrophobicContact CD1-CD1 4.06Å; I74-L180 HydrophobicContact CG1-CD1 3.66Å
75	E	96.8	Very high	94.9	Very high	76 Å²	76	41.3 Å²	41.3	36%	0.355	23%	0.232	S	C	.	.	H	α-helix	trans	-56.3	-40.9	176.9	-74.5	170	-173.1	0	0	111.2	R71 L72 S79 L87	R71-E75 HydrophobicContact CG-CG 4.47Å; R71-E75 WeakPolarHBondContact CG-OE1 3.49Å; R71-E75 IonicContact CZ-OE1 2.88Å; R71-E75 VanDerWaalsContact NH1-CD 3.34Å; R71-E75 IonicContact NH1-OE1 3.52Å; R71-E75 PolarHBondContact NH1-OE1 3.32Å; R71-E75 IonicContact NH1-OE2 3.95Å; R71-E75 PolarHBondContact NH1-OE2 2.66Å; R71-E75 WeakPolarHBondContact O-CG 3.47Å; R71-E75 PolarHBondContact O-N 2.78Å; L72-E75 PolarHBondContact O-N 2.96Å; E75-S79 PolarHBondContact O-N 3.28Å; E75-L87 HydrophobicContact CG-CD2 3.9Å
76	H	97.2	Very high	95	Very high	36 Å²	36	41.1 Å²	41.1	17%	0.167	23%	0.231	C	C	.	.	H	α-helix	trans	-68.2	-42.8	175.7	-169	70.8	0	0	0	112.7	L72 V73 I74 V78 S79 I80 A220 Y223 V224	L72-H76 PolarHBondContact O-N 3.24Å; V73-H76 PolarHBondContact O-N 3.2Å; I74-H76 PolarHBondContact O-N 3.06Å; H76-V78 VanDerWaalsContact C-N 3.32Å; H76-V78 PolarHBondContact O-N 2.76Å; H76-S79 WeakPolarHBondContact O-CB 3.48Å; H76-S79 PolarHBondContact O-N 2.83Å; H76-S79 VanDerWaalsContact O-N 3.1Å; H76-S79 PolarHBondContact O-OG 2.84Å; H76-I80 PolarHBondContact O-N 2.82Å; H76-I80 VanDerWaalsContact O-N 3.16Å; H76-A220 HydrophobicContact CB-CB 4.47Å; H76-Y223 AromaticContact CE1-CD1 3.43Å; H76-Y223 VanDerWaalsContact CE1-CD1 3.43Å; H76-Y223 WeakPolarHBondContact CE1-CD1 3.25Å; H76-Y223 AromaticContact CE1-CD2 3.93Å; H76-Y223 AromaticContact CE1-CE1 3.68Å; H76-Y223 AromaticContact CE1-CG 3.57Å; H76-Y223 AromaticContact CG-CD1 3.82Å; H76-Y223 AromaticContact ND1-CD1 3.34Å; H76-Y223 VanDerWaalsContact ND1-CD1 3.34Å; H76-Y223 WeakPolarHBondContact ND1-CD1 3.41Å; H76-Y223 AromaticContact ND1-CE1 3.45Å; H76-Y223 WeakPolarHBondContact ND1-CE1 3.4Å; H76-Y223 AromaticContact ND1-CG 3.97Å; H76-Y223 AromaticContact NE2-CD1 3.95Å; H76-Y223 AromaticContact NE2-CG 3.81Å; H76-V224 HydrophobicContact CB-CG2 4.48Å
77	L	97.6	Very high	95.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-44	175.8	-72.9	173.3	0	0	0	111.6	V73 I74 S79 I80 G81 Y82 L180 L184 D216 V217 A220	V73-L77 HydrophobicContact CG1-CD1 4.33Å; V73-L77 HydrophobicContact CG1-CG 4.47Å; V73-L77 WeakPolarHBondContact O-CG 3.46Å; V73-L77 PolarHBondContact O-N 3.34Å; I74-L77 PolarHBondContact O-N 3.09Å; I74-L77 VanDerWaalsContact O-N 3.13Å; L77-S79 VanDerWaalsContact C-N 3.3Å; L77-S79 PolarHBondContact O-N 3.3Å; L77-I80 HydrophobicContact CD2-CD1 4.2Å; L77-I80 WeakPolarHBondContact O-CG1 3.46Å; L77-I80 PolarHBondContact O-N 3.02Å; L77-G81 PolarHBondContact O-N 3.46Å; L77-Y82 HydrophobicContact CB-CD2 4.14Å; L77-Y82 HydrophobicContact CB-CG 4.16Å; L77-Y82 HydrophobicContact CD2-CD2 4.14Å; L77-Y82 HydrophobicContact CD2-CE2 4.04Å; L77-Y82 WeakPolarHBondContact O-CB 3.15Å; L77-Y82 WeakPolarHBondContact O-CD2 3.36Å; L77-Y82 PolarHBondContact O-N 3.39Å; L77-L180 HydrophobicContact CD1-CD1 4.43Å; L77-L180 HydrophobicContact CD1-CD2 4.05Å; L77-L184 HydrophobicContact CD1-CD2 4.35Å; L77-D216 HydrophobicContact CD2-CB 4.24Å; L77-V217 HydrophobicContact CD1-CG2 4.15Å; L77-V217 HydrophobicContact CD2-CG2 4.42Å; L77-A220 HydrophobicContact CD2-CB 3.9Å; L77-A220 HydrophobicContact CG-CB 4.12Å
78	V	97.8	Very high	95.2	Very high	24 Å²	24	49.6 Å²	49.6	15%	0.145	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-39.5	175.9	174	0	0	0	0	110.9	I74 H76 I80 G81 P83 N84 L86 L87	I74-V78 HydrophobicContact CG2-CG2 4.46Å; I74-V78 WeakPolarHBondContact O-CG2 3.39Å; I74-V78 PolarHBondContact O-N 3.43Å; H76-V78 VanDerWaalsContact C-N 3.32Å; H76-V78 PolarHBondContact O-N 2.76Å; V78-I80 PolarHBondContact O-N 2.81Å; V78-G81 PolarHBondContact O-N 3Å; V78-P83 WeakPolarHBondContact CG2-O 3.29Å; V78-N84 VanDerWaalsContact CG1-OD1 3.29Å; V78-N84 WeakPolarHBondContact CG1-OD1 3.1Å; V78-L86 HydrophobicContact CG2-CB 4.2Å; V78-L87 HydrophobicContact CG1-CD1 4.47Å; V78-L87 HydrophobicContact CG2-CD2 4.37Å; V78-L87 HydrophobicContact CG2-CG 4.14Å
79	S	96.8	Very high	95	Very high	86 Å²	86	51.9 Å²	51.9	60%	0.601	28%	0.281	S	S	*	.	H	α-helix	trans	-62.7	-25.2	177.5	80.8	0	0	0	0	114.2	E75 H76 L77	E75-S79 PolarHBondContact O-N 3.28Å; H76-S79 WeakPolarHBondContact O-CB 3.48Å; H76-S79 PolarHBondContact O-N 2.83Å; H76-S79 VanDerWaalsContact O-N 3.1Å; H76-S79 PolarHBondContact O-OG 2.84Å; L77-S79 VanDerWaalsContact C-N 3.3Å; L77-S79 PolarHBondContact O-N 3.3Å
80	I	96	Very high	94.7	Very high	88 Å²	88	59.6 Å²	59.6	45%	0.451	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	5.1	176.5	67	169	0	0	0	113.3	H76 L77 V78 Y82 D216	H76-I80 PolarHBondContact O-N 2.82Å; H76-I80 VanDerWaalsContact O-N 3.16Å; L77-I80 HydrophobicContact CD2-CD1 4.2Å; L77-I80 WeakPolarHBondContact O-CG1 3.46Å; L77-I80 PolarHBondContact O-N 3.02Å; V78-I80 PolarHBondContact O-N 2.81Å; I80-Y82 HydrophobicContact CD1-CD2 4.34Å; I80-Y82 HydrophobicContact CD1-CE2 4.19Å; I80-Y82 HydrophobicContact CG1-CD2 4.1Å; I80-Y82 HydrophobicContact CG1-CE2 4.41Å; I80-D216 HydrophobicContact CD1-CB 4.27Å
81	G	93.6	Very high	94.3	Very high	67 Å²	67	60.3 Å²	60.3	69%	0.691	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.6	6	170.7	0	0	0	0	0	116.1	L77 V78	L77-G81 PolarHBondContact O-N 3.46Å; V78-G81 PolarHBondContact O-N 3Å
82	Y	95	Very high	93.3	Very high	16 Å²	16	57 Å²	57	6%	0.063	31%	0.31	C	S	.	.			trans	-70.4	154.9	170.7	-77.1	-107.5	0	0	0	111.5	L77 I80 L86 L184 M208 D216	L77-Y82 HydrophobicContact CB-CD2 4.14Å; L77-Y82 HydrophobicContact CB-CG 4.16Å; L77-Y82 HydrophobicContact CD2-CD2 4.14Å; L77-Y82 HydrophobicContact CD2-CE2 4.04Å; L77-Y82 WeakPolarHBondContact O-CB 3.15Å; L77-Y82 WeakPolarHBondContact O-CD2 3.36Å; L77-Y82 PolarHBondContact O-N 3.39Å; I80-Y82 HydrophobicContact CD1-CD2 4.34Å; I80-Y82 HydrophobicContact CD1-CE2 4.19Å; I80-Y82 HydrophobicContact CG1-CD2 4.1Å; I80-Y82 HydrophobicContact CG1-CE2 4.41Å; Y82-L86 HydrophobicContact CD1-CD1 4Å; Y82-L86 HydrophobicContact CG-CD1 4.24Å; Y82-L184 HydrophobicContact CD1-CD1 4.24Å; Y82-L184 HydrophobicContact CE1-CD1 4.35Å; Y82-L184 HydrophobicContact CE1-CD2 4.04Å; Y82-M208 HydrophobicContact CE1-CE 3.86Å; Y82-D216 HydrophobicContact CE2-CB 3.94Å; Y82-D216 WeakPolarHBondContact CE2-OD2 3.32Å; Y82-D216 WeakPolarHBondContact OH-CB 3.49Å; Y82-D216 PolarHBondContact OH-OD2 3.09Å
83	P	92.8	Very high	92	Very high	51 Å²	51	57.7 Å²	57.7	33%	0.331	32%	0.315	S	S	.	.			trans	-60.5	142.3	-175.1	-23.4	34.2	0	0	0	114	V78 E85 L86 Y187	V78-P83 WeakPolarHBondContact CG2-O 3.29Å; P83-E85 WeakPolarHBondContact CB-OE2 3.47Å; P83-E85 PolarHBondContact O-N 3.22Å; P83-L86 WeakPolarHBondContact O-CB 3.37Å; P83-L86 WeakPolarHBondContact O-CG 3.24Å; P83-L86 PolarHBondContact O-N 3.42Å; P83-L86 VanDerWaalsContact O-N 3.12Å; P83-Y187 HydrophobicContact CG-CE1 4.26Å
84	N	94.8	Very high	90.1	Very high	108 Å²	108	61.1 Å²	61.1	58%	0.578	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-63.9	-23	-178.1	-78.4	-68.8	0	0	0	113.1	V78 L86 L87	V78-N84 VanDerWaalsContact CG1-OD1 3.29Å; V78-N84 WeakPolarHBondContact CG1-OD1 3.1Å; N84-L86 PolarHBondContact O-N 2.99Å; N84-L86 VanDerWaalsContact O-N 3.17Å; N84-L87 VanDerWaalsContact O-CB 3.31Å; N84-L87 WeakPolarHBondContact O-CB 3.29Å; N84-L87 WeakPolarHBondContact O-CG 3.35Å; N84-L87 PolarHBondContact O-N 3.16Å
85	E	93.5	Very high	87.8	Confident	100 Å²	100	65.6 Å²	65.6	47%	0.467	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-57.1	-27.1	175.3	-66.1	75.9	-171.2	0	0	111.9	P83 L87 Q88 Y187	P83-E85 WeakPolarHBondContact CB-OE2 3.47Å; P83-E85 PolarHBondContact O-N 3.22Å; E85-L87 PolarHBondContact O-N 3.44Å; E85-Q88 VanDerWaalsContact O-CB 3.31Å; E85-Q88 WeakPolarHBondContact O-CB 3.37Å; E85-Q88 PolarHBondContact O-N 2.99Å; E85-Y187 HydrophobicContact CB-CE2 4.06Å; E85-Y187 WeakPolarHBondContact CB-OH 3.33Å
86	L	94.1	Very high	85	Confident	2 Å²	2	66 Å²	66	1%	0.01	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-60.3	-27.3	175.6	-63.6	-174.2	0	0	0	112.7	I74 V78 Y82 P83 N84 Q88 L89 L184 Y187	I74-L86 HydrophobicContact CG2-CB 3.96Å; I74-L86 WeakPolarHBondContact CG2-O 3.24Å; V78-L86 HydrophobicContact CG2-CB 4.2Å; Y82-L86 HydrophobicContact CD1-CD1 4Å; Y82-L86 HydrophobicContact CG-CD1 4.24Å; P83-L86 WeakPolarHBondContact O-CB 3.37Å; P83-L86 WeakPolarHBondContact O-CG 3.24Å; P83-L86 PolarHBondContact O-N 3.42Å; P83-L86 VanDerWaalsContact O-N 3.12Å; N84-L86 PolarHBondContact O-N 2.99Å; N84-L86 VanDerWaalsContact O-N 3.17Å; L86-Q88 PolarHBondContact O-N 3.36Å; L86-Q88 VanDerWaalsContact O-N 3.13Å; L86-L89 HydrophobicContact CB-CD1 4.47Å; L86-L89 HydrophobicContact CD2-CD1 3.75Å; L86-L89 VanDerWaalsContact O-CB 3.3Å; L86-L89 WeakPolarHBondContact O-CB 3.43Å; L86-L89 WeakPolarHBondContact O-CG 3.15Å; L86-L89 PolarHBondContact O-N 3.23Å; L86-L184 HydrophobicContact CD1-CD1 3.84Å; L86-L184 HydrophobicContact CD2-CD1 3.9Å; L86-Y187 HydrophobicContact CD2-CD1 3.53Å; L86-Y187 HydrophobicContact CD2-CD2 4.09Å; L86-Y187 HydrophobicContact CD2-CE1 3.76Å; L86-Y187 HydrophobicContact CD2-CE2 4.28Å; L86-Y187 HydrophobicContact CD2-CG 3.71Å; L86-Y187 HydrophobicContact CG-CE1 4.46Å
87	L	94.9	Very high	82.3	Confident	93 Å²	93	67.1 Å²	67.1	49%	0.487	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-62.8	-17.7	175.4	-65.1	167.9	0	0	0	112.8	I74 E75 V78 N84 E85	I74-L87 HydrophobicContact CG2-CD2 4.08Å; E75-L87 HydrophobicContact CG-CD2 3.9Å; V78-L87 HydrophobicContact CG1-CD1 4.47Å; V78-L87 HydrophobicContact CG2-CD2 4.37Å; V78-L87 HydrophobicContact CG2-CG 4.14Å; N84-L87 VanDerWaalsContact O-CB 3.31Å; N84-L87 WeakPolarHBondContact O-CB 3.29Å; N84-L87 WeakPolarHBondContact O-CG 3.35Å; N84-L87 PolarHBondContact O-N 3.16Å; E85-L87 PolarHBondContact O-N 3.44Å
88	Q	92.6	Very high	79.4	Confident	156 Å²	156	78.8 Å²	78.8	73%	0.729	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-83.9	-14.4	176.7	-55.3	178.1	13.5	0	0	112.5	E85 L86 Q90	E85-Q88 VanDerWaalsContact O-CB 3.31Å; E85-Q88 WeakPolarHBondContact O-CB 3.37Å; E85-Q88 PolarHBondContact O-N 2.99Å; L86-Q88 PolarHBondContact O-N 3.36Å; L86-Q88 VanDerWaalsContact O-N 3.13Å; Q88-Q90 PolarHBondContact O-N 3.02Å
89	L	90.3	Very high	76.7	Confident	52 Å²	52	86.9 Å²	86.9	27%	0.272	45%	0.45	S	S	.	.			trans	-64.5	128.3	175.9	-65	176.7	0	0	0	109.5	F70 I74 L86	F70-L89 HydrophobicContact CE1-CB 4.24Å; F70-L89 HydrophobicContact CZ-CB 4.14Å; I74-L89 HydrophobicContact CD1-CB 3.89Å; I74-L89 HydrophobicContact CD1-CD1 4.28Å; L86-L89 HydrophobicContact CB-CD1 4.47Å; L86-L89 HydrophobicContact CD2-CD1 3.75Å; L86-L89 VanDerWaalsContact O-CB 3.3Å; L86-L89 WeakPolarHBondContact O-CB 3.43Å; L86-L89 WeakPolarHBondContact O-CG 3.15Å; L86-L89 PolarHBondContact O-N 3.23Å
90	Q	86.8	Confident	73.7	Confident	165 Å²	165	85.6 Å²	85.6	77%	0.771	45%	0.45	S	S	*	.			trans	-103.3	139.3	175.8	-64.1	-174	0.6	0	0	109.6	Q88 D92 Y179	Q88-Q90 PolarHBondContact O-N 3.02Å; Q90-D92 PolarHBondContact O-N 3.34Å; Q90-Y179 WeakPolarHBondContact O-CE1 3.33Å
91	Y	84.6	Confident	70.7	Confident	20 Å²	20	91.1 Å²	91.1	8%	0.078	47%	0.471	C	S	.	.			trans	-66.9	106.8	169.5	-175.3	-106.9	0	0	0	108.6	P63 E66 T67 F70 S93 P176 Y179	P63-Y91 HydrophobicContact CB-CD1 4.48Å; P63-Y91 HydrophobicContact CB-CE1 4.17Å; E66-Y91 HydrophobicContact CB-CD1 4.38Å; E66-Y91 HydrophobicContact CB-CE1 3.7Å; E66-Y91 HydrophobicContact CB-CE2 4.49Å; E66-Y91 WeakPolarHBondContact OE2-CE1 3.35Å; E66-Y91 PolarHBondContact OE2-OH 3.23Å; E66-Y91 VanDerWaalsContact OE2-OH 3.05Å; T67-Y91 WeakPolarHBondContact OG1-CD1 3.4Å; F70-Y91 HydrophobicContact CB-CD2 3.9Å; F70-Y91 HydrophobicContact CB-CG 4.24Å; F70-Y91 HydrophobicContact CD1-CD2 4.41Å; F70-Y91 AromaticContact CD2-CD2 3.9Å; F70-Y91 HydrophobicContact CD2-CD2 3.9Å; F70-Y91 AromaticContact CG-CD2 3.81Å; F70-Y91 HydrophobicContact CG-CD2 3.81Å; F70-Y91 HydrophobicContact CG-CG 4.27Å; Y91-S93 PolarHBondContact O-N 3.13Å; Y91-P176 HydrophobicContact CE2-CB 4.33Å; Y91-Y179 AromaticContact CD2-CD1 3.69Å; Y91-Y179 HydrophobicContact CD2-CD1 3.69Å; Y91-Y179 HydrophobicContact CD2-CE1 4.37Å; Y91-Y179 HydrophobicContact CD2-CG 4.23Å; Y91-Y179 HydrophobicContact CE2-CD1 4.07Å; Y91-Y179 HydrophobicContact CE2-CG 4.14Å
92	D	75.4	Confident	68.1	Low	39 Å²	39	92.1 Å²	92.1	21%	0.209	46%	0.464	C	S	.	.			trans	-90.9	95.8	179.1	-167.7	6.6	0	0	0	110	Q90 T94 L111 Y179	Q90-D92 PolarHBondContact O-N 3.34Å; D92-T94 VanDerWaalsContact CG-O 3.28Å; D92-T94 VanDerWaalsContact OD1-C 3.23Å; D92-T94 VanDerWaalsContact OD1-CA 3.28Å; D92-T94 WeakPolarHBondContact OD1-CA 3.41Å; D92-T94 PolarHBondContact OD1-N 3.15Å; D92-T94 PolarHBondContact OD1-OG1 2.79Å; D92-T94 VanDerWaalsContact OD2-O 3.13Å; D92-L111 WeakPolarHBondContact O-CD1 3.13Å; D92-Y179 HydrophobicContact CB-CE2 4.5Å; D92-Y179 WeakPolarHBondContact CB-OH 3.18Å
93	S	67.5	Low	65.4	Low	22 Å²	22	100.3 Å²	100.3	15%	0.154	50%	0.502	C	S	.	.			trans	-80.3	-8	167.4	62.5	0	0	0	0	112.3	P63 Y91 V110 L111	P63-S93 WeakPolarHBondContact CB-OG 3.39Å; P63-S93 WeakPolarHBondContact CG-OG 3.33Å; Y91-S93 PolarHBondContact O-N 3.13Å; S93-V110 CarbonylContact O-C 3.54Å; S93-V110 WeakPolarHBondContact O-CA 3.42Å; S93-V110 PolarHBondContact O-N 3.01Å; S93-L111 PolarHBondContact O-N 3.25Å
94	T	58.5	Low	62.7	Low	78 Å²	78	102 Å²	102	48%	0.479	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-113.8	100.8	-171.6	48.8	0	0	0	0	111.7	D92 P96	D92-T94 VanDerWaalsContact CG-O 3.28Å; D92-T94 VanDerWaalsContact OD1-C 3.23Å; D92-T94 VanDerWaalsContact OD1-CA 3.28Å; D92-T94 WeakPolarHBondContact OD1-CA 3.41Å; D92-T94 PolarHBondContact OD1-N 3.15Å; D92-T94 PolarHBondContact OD1-OG1 2.79Å; D92-T94 VanDerWaalsContact OD2-O 3.13Å; T94-P96 WeakPolarHBondContact O-CD 3.31Å
95	F	47.2	Very low	59.8	Low	99 Å²	99	107 Å²	107	43%	0.434	53%	0.525	S	S	.	.			trans	-56.5	125.9	-178.9	-162.4	-102.3	0	0	0	113.4	S97 L111 I445	F95-S97 PolarHBondContact O-N 2.76Å; F95-L111 HydrophobicContact CD2-CD1 4.19Å; F95-I445 HydrophobicContact CE2-CB 4.05Å; F95-I445 HydrophobicContact CE2-CD1 3.61Å; F95-I445 HydrophobicContact CE2-CG1 3.67Å; F95-I445 HydrophobicContact CZ-CD1 4.25Å; F95-I445 HydrophobicContact CZ-CG1 4.06Å
96	P	38.9	Very low	57.3	Low	84 Å²	84	106.6 Å²	106.6	55%	0.545	53%	0.531	S	S	.	.			trans	-76.9	105.3	173.8	12.9	-5.7	0	0	0	110.6	T94 R98	T94-P96 WeakPolarHBondContact O-CD 3.31Å; P96-R98 PolarHBondContact O-N 3.38Å
97	S	38.9	Very low	54.9	Low	60 Å²	60	112.4 Å²	112.4	42%	0.42	55%	0.553	S	S	.	*			trans	-62.4	86.3	172.2	164	0	0	0	0	112	F95 Y99 R107	F95-S97 PolarHBondContact O-N 2.76Å; S97-Y99 PolarHBondContact OG-O 3.5Å; S97-R107 PolarHBondContact OG-NH1 3.14Å
98	R	37.4	Very low	52.3	Low	244 Å²	244	116.3 Å²	116.3	92%	0.921	57%	0.566	S	S	*	*			trans	-76	-7.2	162.1	-84.6	-156.6	-92.6	-150.4	-2.4	113.8	P96	P96-R98 PolarHBondContact O-N 3.38Å
99	Y	40.4	Very low	50	Low	195 Å²	195	113.2 Å²	113.2	77%	0.765	55%	0.55	S	S	*	*	S	Bend	trans	-88.8	115	171.5	-91.1	-94.4	0	0	0	110.6	S97 R107	S97-Y99 PolarHBondContact OG-O 3.5Å; Y99-R107 PolarHBondContact O-NH1 2.84Å
100	G	35.3	Very low	47.9	Very low	58 Å²	58	113.1 Å²	113.1	60%	0.598	55%	0.552	S	S	*	*			trans	-45.5	157.9	-166.1	0	0	0	0	0	117.8	V102	G100-V102 PolarHBondContact O-N 2.82Å
101	K	32.3	Very low	45.9	Very low	205 Å²	205	106.2 Å²	106.2	89%	0.891	52%	0.52	S	S	*	.			trans	-24.7	96.2	172.5	-68.7	176.7	174.3	-179.5	0	113.8
102	V	38.1	Very low	44.4	Very low	88 Å²	88	108 Å²	108	53%	0.533	53%	0.528	S	S	.	.			trans	-120.1	107.5	155.3	-174	0	0	0	0	105	G100 C104	G100-V102 PolarHBondContact O-N 2.82Å; V102-C104 PolarHBondContact O-N 3.28Å
103	E	38.1	Very low	43.6	Very low	188 Å²	188	106.4 Å²	106.4	88%	0.879	52%	0.52	S	S	*	.			trans	-71	24.1	-170.1	-66.7	-173.5	154.8	0	0	114.8	W105	E103-W105 PolarHBondContact O-N 3.34Å
104	C	36.8	Very low	43.8	Very low	85 Å²	85	105.9 Å²	105.9	57%	0.574	52%	0.516	S	S	*	.	S	Bend	trans	-93.6	100.1	178.2	-59.1	0	0	0	0	109.6	V102	V102-C104 PolarHBondContact O-N 3.28Å
105	W	35.3	Very low	45.2	Very low	215 Å²	215	102.4 Å²	102.4	81%	0.814	49%	0.494	S	S	*	.	S	Bend	trans	76.4	147.2	167.8	-86.8	73.1	0	0	0	118.1	E103 R107	E103-W105 PolarHBondContact O-N 3.34Å; W105-R107 PolarHBondContact O-N 3.13Å
106	P	39.8	Very low	47.2	Very low	91 Å²	91	98 Å²	98	59%	0.591	48%	0.476	S	S	*	.			trans	-63	103.8	176.6	28	-33.9	0	0	0	108.2	K108	P106-K108 PolarHBondContact O-N 3.31Å
107	R	43.8	Very low	49.8	Very low	124 Å²	124	94.1 Å²	94.1	47%	0.468	45%	0.451	S	S	.	.			trans	-67.9	48.7	176.7	-69.6	-177.6	165.6	-177.8	-4.1	112.1	S97 Y99 W105 F109	S97-R107 PolarHBondContact OG-NH1 3.14Å; Y99-R107 PolarHBondContact O-NH1 2.84Å; W105-R107 PolarHBondContact O-N 3.13Å; R107-F109 PolarHBondContact O-N 3.5Å
108	K	40.3	Very low	52.5	Low	174 Å²	174	91.4 Å²	91.4	76%	0.757	43%	0.432	S	S	*	.			trans	-72	21.1	171.1	-122.5	-176.2	-175.2	-176.7	0	111.8	P106 V110	P106-K108 PolarHBondContact O-N 3.31Å; K108-V110 VanDerWaalsContact C-N 3.28Å; K108-V110 WeakPolarHBondContact O-CG2 3.25Å; K108-V110 PolarHBondContact O-N 3.01Å
109	F	44	Very low	55.3	Low	91 Å²	91	80 Å²	80	40%	0.399	39%	0.388	S	S	.	.			trans	-78.4	83.2	-169.8	-82.7	-81.7	0	0	0	110	R107 H386 I390	R107-F109 PolarHBondContact O-N 3.5Å; F109-H386 AromaticContact CD1-CE1 3.61Å; F109-H386 AromaticContact CE1-CE1 3.63Å; F109-H386 AromaticContact CE1-ND1 3.88Å; F109-I390 HydrophobicContact CE1-CD1 4.39Å
110	V	46.8	Very low	58	Low	50 Å²	50	70.7 Å²	70.7	30%	0.303	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	18.8	104.9	131.1	-161.8	0	0	0	0	113.3	S93 K108 F112	S93-V110 CarbonylContact O-C 3.54Å; S93-V110 WeakPolarHBondContact O-CA 3.42Å; S93-V110 PolarHBondContact O-N 3.01Å; K108-V110 VanDerWaalsContact C-N 3.28Å; K108-V110 WeakPolarHBondContact O-CG2 3.25Å; K108-V110 PolarHBondContact O-N 3.01Å; V110-F112 HydrophobicContact CB-CD2 3.88Å; V110-F112 HydrophobicContact CB-CE2 3.99Å; V110-F112 HydrophobicContact CG1-CD2 3.47Å; V110-F112 VanDerWaalsContact CG1-CD2 3.47Å; V110-F112 HydrophobicContact CG1-CE2 3.53Å; V110-F112 HydrophobicContact CG1-CG 4.03Å; V110-F112 HydrophobicContact CG1-CZ 4.13Å; V110-F112 PolarHBondContact O-N 3.19Å
111	L	45.2	Very low	60.9	Low	21 Å²	21	68.1 Å²	68.1	11%	0.11	33%	0.325	C	S	.	.			trans	-63.9	80.2	158.6	-143.3	152.9	0	0	0	106.7	D92 S93 F95 L113 Y179	D92-L111 WeakPolarHBondContact O-CD1 3.13Å; S93-L111 PolarHBondContact O-N 3.25Å; F95-L111 HydrophobicContact CD2-CD1 4.19Å; L111-L113 VanDerWaalsContact C-N 3.28Å; L111-L113 HydrophobicContact CD2-CD1 4.11Å; L111-L113 HydrophobicContact CD2-CD2 3.48Å; L111-L113 VanDerWaalsContact CD2-CD2 3.48Å; L111-L113 HydrophobicContact CD2-CG 3.47Å; L111-L113 VanDerWaalsContact CD2-CG 3.47Å; L111-L113 PolarHBondContact O-N 3.04Å; L111-Y179 HydrophobicContact CD1-CE2 4.42Å
112	F	52.9	Low	64	Low	56 Å²	56	61.2 Å²	61.2	25%	0.246	30%	0.297	C	S	.	.			trans	-70.2	97.9	163.4	-89.5	-75.4	0	0	0	105.6	V110 C114 E383 H386	V110-F112 HydrophobicContact CB-CD2 3.88Å; V110-F112 HydrophobicContact CB-CE2 3.99Å; V110-F112 HydrophobicContact CG1-CD2 3.47Å; V110-F112 VanDerWaalsContact CG1-CD2 3.47Å; V110-F112 HydrophobicContact CG1-CE2 3.53Å; V110-F112 HydrophobicContact CG1-CG 4.03Å; V110-F112 HydrophobicContact CG1-CZ 4.13Å; V110-F112 PolarHBondContact O-N 3.19Å; F112-C114 VanDerWaalsContact C-N 3.31Å; F112-C114 PolarHBondContact O-N 3.22Å; F112-E383 HydrophobicContact CD1-CG 4.05Å; F112-E383 HydrophobicContact CE1-CG 4.08Å; F112-H386 HydrophobicContact CE2-CB 4.29Å
113	L	59.3	Low	66.9	Low	7 Å²	7	59.5 Å²	59.5	4%	0.037	28%	0.281	C	S	.	.			trans	-64.7	106.5	158.1	-68	163.9	0	0	0	105.7	L111 R115 V175 T178 Y179	L111-L113 VanDerWaalsContact C-N 3.28Å; L111-L113 HydrophobicContact CD2-CD1 4.11Å; L111-L113 HydrophobicContact CD2-CD2 3.48Å; L111-L113 VanDerWaalsContact CD2-CD2 3.48Å; L111-L113 HydrophobicContact CD2-CG 3.47Å; L111-L113 VanDerWaalsContact CD2-CG 3.47Å; L111-L113 PolarHBondContact O-N 3.04Å; L113-R115 PolarHBondContact O-N 3.3Å; L113-V175 HydrophobicContact CB-CG1 4.11Å; L113-V175 VanDerWaalsContact CD1-O 3.29Å; L113-V175 WeakPolarHBondContact CD1-O 3.48Å; L113-T178 HydrophobicContact CB-CG2 4.07Å; L113-T178 HydrophobicContact CD1-CG2 4.16Å; L113-T178 HydrophobicContact CD2-CG2 3.86Å; L113-T178 HydrophobicContact CG-CG2 4.24Å; L113-Y179 VanDerWaalsContact CD1-CA 3.45Å; L113-Y179 HydrophobicContact CD1-CD2 4.13Å; L113-Y179 HydrophobicContact CD1-CG 4.13Å
114	C	70.9	Confident	69.7	Low	11 Å²	11	50.6 Å²	50.6	7%	0.074	24%	0.24	C	C	.	.			trans	-63.9	134.6	-177.8	-57.6	0	0	0	0	108.9	F112 G447 L449	F112-C114 VanDerWaalsContact C-N 3.31Å; F112-C114 PolarHBondContact O-N 3.22Å; C114-G447 PolarHBondContact SG-O 2.99Å; C114-L449 HydrophobicContact CB-CD1 3.88Å
115	R	86.8	Confident	72.6	Confident	5 Å²	5	46.7 Å²	46.7	2%	0.019	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	154.4	162.7	-70.8	-169.1	-73.9	170.6	-7.4	110.7	L113 L169 N170 L172 D360 V380 E383 L449 F459	L113-R115 PolarHBondContact O-N 3.3Å; R115-L169 CarbonylContact C-O 3.54Å; R115-L169 VanDerWaalsContact CA-O 3.31Å; R115-L169 WeakPolarHBondContact CA-O 2.9Å; R115-N170 VanDerWaalsContact CD-O 3.27Å; R115-N170 WeakPolarHBondContact CD-O 3.45Å; R115-L172 HydrophobicContact CG-CD2 4.49Å; R115-D360 PolarHBondContact NH1-O 3.25Å; R115-V380 PolarHBondContact NH2-O 2.57Å; R115-E383 WeakPolarHBondContact CG-OE1 3.42Å; R115-E383 IonicContact CZ-OE1 2.61Å; R115-E383 IonicContact CZ-OE2 3.35Å; R115-E383 IonicContact NE-OE1 3.9Å; R115-E383 PolarHBondContact NE-OE1 3.4Å; R115-E383 IonicContact NE-OE2 2.8Å; R115-E383 IonicContact NH2-OE1 2.99Å; R115-E383 IonicContact NH2-OE2 2.97Å; R115-E383 PolarHBondContact NH2-OE2 3.14Å; R115-L449 HydrophobicContact CB-CD1 4.21Å; R115-L449 WeakPolarHBondContact O-CD1 3.37Å; R115-F459 HydrophobicContact CB-CD2 4.12Å; R115-F459 HydrophobicContact CB-CE2 3.9Å
116	G	89.6	Confident	75.5	Confident	6 Å²	6	36.7 Å²	36.7	6%	0.062	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	6.7	175.6	0	0	0	0	0	115.5	L169 N170	G116-L169 PolarHBondContact N-O 3.2Å; G116-N170 WeakPolarHBondContact CA-OD1 3.36Å; G116-N170 PolarHBondContact N-OD1 2.65Å
117	L	93.6	Very high	78.2	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	144.5	164.6	-64.7	-178.8	0	0	0	110.4	K128 L169 T178 F446	L117-K128 HydrophobicContact CD2-CB 3.66Å; L117-K128 HydrophobicContact CD2-CD 4.44Å; L117-K128 HydrophobicContact CD2-CG 4.09Å; L117-L169 HydrophobicContact CB-CD1 4.31Å; L117-L169 WeakPolarHBondContact O-CB 3.31Å; L117-L169 PolarHBondContact O-N 3.29Å; L117-T178 HydrophobicContact CD1-CG2 4.03Å; L117-F446 HydrophobicContact CD1-CD1 4.34Å; L117-F446 HydrophobicContact CD1-CD2 3.71Å; L117-F446 HydrophobicContact CD1-CE1 4.32Å; L117-F446 HydrophobicContact CD1-CE2 3.71Å; L117-F446 HydrophobicContact CD1-CG 4.05Å; L117-F446 HydrophobicContact CD1-CZ 4.02Å; L117-F446 HydrophobicContact CD2-CD1 3.85Å; L117-F446 HydrophobicContact CD2-CE1 4.17Å; L117-F446 HydrophobicContact CD2-CG 4.07Å
118	W	95.5	Very high	80.6	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.015	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.1	177	-73.8	24	0	0	0	107.9	L126 L127 V129 I159 L161 V166 Y167 V168 F458	W118-L126 CarbonylContact O-C 3.49Å; W118-L127 HydrophobicContact CB-CB 4.22Å; W118-L127 PolarHBondContact N-O 2.83Å; W118-L127 PolarHBondContact O-N 3.06Å; W118-V129 HydrophobicContact CD2-CG1 4.32Å; W118-V129 HydrophobicContact CD2-CG2 3.53Å; W118-V129 HydrophobicContact CE3-CG1 4.19Å; W118-V129 HydrophobicContact CE3-CG2 3.91Å; W118-V129 HydrophobicContact CG-CG2 4.01Å; W118-V129 HydrophobicContact CH2-CG2 3.95Å; W118-V129 HydrophobicContact CZ2-CG2 3.6Å; W118-V129 HydrophobicContact CZ3-CG2 4.13Å; W118-I159 HydrophobicContact CE3-CG2 3.89Å; W118-I159 HydrophobicContact CZ3-CG2 3.91Å; W118-L161 HydrophobicContact CD2-CD1 4.41Å; W118-L161 HydrophobicContact CE3-CD1 4.41Å; W118-L161 HydrophobicContact CH2-CB 3.52Å; W118-L161 HydrophobicContact CH2-CD1 3.96Å; W118-L161 HydrophobicContact CH2-CD2 4.41Å; W118-L161 HydrophobicContact CH2-CG 4.16Å; W118-L161 HydrophobicContact CZ2-CB 4.12Å; W118-L161 HydrophobicContact CZ2-CD1 3.91Å; W118-L161 HydrophobicContact CZ2-CD2 4.18Å; W118-L161 HydrophobicContact CZ2-CG 4.29Å; W118-L161 HydrophobicContact CZ3-CB 3.98Å; W118-L161 HydrophobicContact CZ3-CD1 4.18Å; W118-V166 HydrophobicContact CB-CG1 3.72Å; W118-V166 HydrophobicContact CD2-CG1 3.6Å; W118-V166 HydrophobicContact CE3-CB 4.43Å; W118-V166 HydrophobicContact CE3-CG1 3.52Å; W118-V166 HydrophobicContact CE3-CG2 4.23Å; W118-V166 HydrophobicContact CG-CG1 3.71Å; W118-V166 HydrophobicContact CZ3-CG1 4.36Å; W118-Y167 CarbonylContact C-O 3.32Å; W118-Y167 WeakPolarHBondContact CA-O 3.3Å; W118-V168 HydrophobicContact CG-CG2 4.39Å; W118-F458 HydrophobicContact CZ2-CD1 4.08Å; W118-F458 AromaticContact CZ2-CD2 3.79Å; W118-F458 HydrophobicContact CZ2-CD2 3.79Å; W118-F458 HydrophobicContact CZ2-CE1 4.12Å; W118-F458 AromaticContact CZ2-CE2 3.86Å; W118-F458 HydrophobicContact CZ2-CE2 3.86Å; W118-F458 AromaticContact CZ2-CG 3.91Å; W118-F458 HydrophobicContact CZ2-CG 3.91Å; W118-F458 HydrophobicContact CZ2-CZ 4.01Å; W118-F458 AromaticContact NE1-CD1 3.41Å; W118-F458 AromaticContact NE1-CE1 3.78Å; W118-F458 AromaticContact NE1-CG 3.85Å
119	F	96.1	Very high	83.3	Confident	3 Å²	3	18.5 Å²	18.5	1%	0.013	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	112.8	168.8	-172.3	-98.8	0	0	0	109	N121 N125 L126 V166 Y167 L169 L181 V185 Y214	F119-N121 HydrophobicContact CD1-CB 4.14Å; F119-N121 HydrophobicContact CE1-CB 4.06Å; F119-N121 PolarHBondContact O-N 3.04Å; F119-N125 WeakPolarHBondContact CA-O 3.09Å; F119-L126 HydrophobicContact CB-CD2 4.29Å; F119-L126 HydrophobicContact CD2-CD2 3.81Å; F119-L126 HydrophobicContact CD2-CG 4.21Å; F119-V166 WeakPolarHBondContact O-CA 3.3Å; F119-Y167 PolarHBondContact N-O 2.94Å; F119-Y167 PolarHBondContact O-N 2.85Å; F119-L169 HydrophobicContact CB-CD1 4.15Å; F119-L181 HydrophobicContact CB-CD1 4.34Å; F119-L181 HydrophobicContact CD1-CD1 4.29Å; F119-L181 HydrophobicContact CD2-CB 4.13Å; F119-L181 HydrophobicContact CD2-CD1 3.92Å; F119-L181 HydrophobicContact CD2-CG 4.47Å; F119-L181 HydrophobicContact CE1-CD2 4.25Å; F119-L181 HydrophobicContact CE2-CB 3.88Å; F119-L181 HydrophobicContact CE2-CD1 4.29Å; F119-L181 HydrophobicContact CE2-CD2 4.28Å; F119-L181 HydrophobicContact CE2-CG 4.38Å; F119-L181 HydrophobicContact CG-CD1 3.9Å; F119-L181 HydrophobicContact CZ-CB 4.46Å; F119-L181 HydrophobicContact CZ-CD2 4.04Å; F119-V185 HydrophobicContact CZ-CG2 4.49Å; F119-Y214 AromaticContact CD1-CD2 3.77Å; F119-Y214 HydrophobicContact CD1-CD2 3.77Å; F119-Y214 HydrophobicContact CD1-CG 4.12Å; F119-Y214 HydrophobicContact CE1-CD2 4.05Å; F119-Y214 HydrophobicContact CE1-CG 4.06Å
120	D	97.9	Very high	85.8	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	104	170.8	176.8	16	0	0	0	109.2	I122 Y123 G124 N125 L127 Y154 I159 R165	D120-I122 PolarHBondContact O-N 3.08Å; D120-I122 PolarHBondContact OD1-N 2.72Å; D120-I122 VanDerWaalsContact OD1-N 3.15Å; D120-Y123 PolarHBondContact O-N 2.81Å; D120-Y123 WeakPolarHBondContact OD2-CD2 3.09Å; D120-G124 WeakPolarHBondContact O-CA 3.39Å; D120-G124 PolarHBondContact O-N 2.83Å; D120-N125 HydrophobicContact CB-CB 4.49Å; D120-N125 PolarHBondContact N-O 2.91Å; D120-N125 PolarHBondContact O-N 2.78Å; D120-L127 HydrophobicContact CB-CD1 4.17Å; D120-Y154 WeakPolarHBondContact OD2-CE1 3.3Å; D120-Y154 VanDerWaalsContact OD2-CZ 3.31Å; D120-Y154 PolarHBondContact OD2-OH 2.98Å; D120-I159 HydrophobicContact CB-CD1 4.31Å; D120-R165 WeakPolarHBondContact OD1-CG 3.16Å; D120-R165 IonicContact OD1-CZ 2.82Å; D120-R165 IonicContact OD1-NE 3.38Å; D120-R165 PolarHBondContact OD1-NE 3.17Å; D120-R165 IonicContact OD1-NH2 2.84Å; D120-R165 PolarHBondContact OD1-NH2 3.32Å; D120-R165 IonicContact OD2-CZ 2.86Å; D120-R165 IonicContact OD2-NE 2.94Å; D120-R165 IonicContact OD2-NH2 3.65Å; D120-R165 PolarHBondContact OD2-NH2 3.48Å
121	N	97	Very high	88.1	Confident	4 Å²	4	14.1 Å²	14.1	2%	0.021	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-8.4	-175.2	71.9	28.6	0	0	0	113.6	F119 E164 R165 Y210 H211 Y214	F119-N121 HydrophobicContact CD1-CB 4.14Å; F119-N121 HydrophobicContact CE1-CB 4.06Å; F119-N121 PolarHBondContact O-N 3.04Å; N121-E164 PolarHBondContact ND2-O 3.42Å; N121-R165 PolarHBondContact N-O 2.88Å; N121-R165 PolarHBondContact ND2-O 2.82Å; N121-R165 PolarHBondContact OD1-O 3.14Å; N121-Y210 CarbonylContact O-C 3.56Å; N121-H211 PolarHBondContact ND2-ND1 2.9Å; N121-H211 WeakPolarHBondContact O-CA 3.4Å; N121-H211 WeakPolarHBondContact O-CB 3.48Å; N121-H211 PolarHBondContact O-N 2.92Å; N121-H211 PolarHBondContact OD1-ND1 2.91Å; N121-Y214 HydrophobicContact CB-CD1 3.83Å; N121-Y214 HydrophobicContact CB-CG 4.03Å
122	I	97.3	Very high	90.5	Very high	61 Å²	61	21.8 Å²	21.8	31%	0.313	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-47.9	174.7	-64.2	-178.1	0	0	0	110.6	D120 R165 T199	D120-I122 PolarHBondContact O-N 3.08Å; D120-I122 PolarHBondContact OD1-N 2.72Å; D120-I122 VanDerWaalsContact OD1-N 3.15Å; I122-R165 HydrophobicContact CD1-CB 4.49Å; I122-R165 HydrophobicContact CD1-CG 3.83Å; I122-R165 HydrophobicContact CG1-CG 3.98Å; I122-T199 HydrophobicContact CG2-CG2 3.95Å; I122-T199 VanDerWaalsContact O-CA 3.27Å; I122-T199 WeakPolarHBondContact O-CA 3.36Å
123	Y	98	Very high	92.5	Very high	52 Å²	52	19.2 Å²	19.2	20%	0.204	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-1.4	-175	-58	-40.4	0	0	0	114.2	D120 N125 H140 L153 Y154 T198 T199 Y210	D120-Y123 PolarHBondContact O-N 2.81Å; D120-Y123 WeakPolarHBondContact OD2-CD2 3.09Å; Y123-N125 VanDerWaalsContact C-N 3.32Å; Y123-N125 VanDerWaalsContact CB-ND2 3.35Å; Y123-N125 WeakPolarHBondContact CB-ND2 3.29Å; Y123-N125 PolarHBondContact O-N 2.83Å; Y123-N125 PolarHBondContact O-OD1 3.48Å; Y123-H140 PolarHBondContact O-CE1 3.23Å; Y123-H140 PolarHBondContact O-ND1 2.84Å; Y123-H140 VanDerWaalsContact O-ND1 3.13Å; Y123-L153 HydrophobicContact CD1-CD2 4.49Å; Y123-L153 HydrophobicContact CD2-CB 4.06Å; Y123-L153 HydrophobicContact CD2-CD2 4.4Å; Y123-L153 HydrophobicContact CE2-CB 4.04Å; Y123-L153 HydrophobicContact CE2-CD2 4.45Å; Y123-L153 WeakPolarHBondContact CE2-O 3.49Å; Y123-L153 HydrophobicContact CG-CD2 4.44Å; Y123-Y154 AromaticContact CD2-CE1 3.85Å; Y123-Y154 HydrophobicContact CD2-CE1 3.85Å; Y123-Y154 HydrophobicContact CD2-CE2 4.46Å; Y123-Y154 AromaticContact CD2-CZ 3.73Å; Y123-Y154 HydrophobicContact CE2-CE1 4.16Å; Y123-T198 HydrophobicContact CD1-CG2 3.76Å; Y123-T198 WeakPolarHBondContact CD1-O 3.03Å; Y123-T198 HydrophobicContact CE1-CG2 3.79Å; Y123-T199 HydrophobicContact CD1-CG2 4.2Å; Y123-T199 HydrophobicContact CE1-CG2 4.22Å; Y123-Y210 WeakPolarHBondContact O-CD2 3.45Å; Y123-Y210 WeakPolarHBondContact O-CE2 3.4Å
124	G	97.1	Very high	94.4	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.01	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	30.8	179.6	0	0	0	0	0	113.2	D120 H140	D120-G124 WeakPolarHBondContact O-CA 3.39Å; D120-G124 PolarHBondContact O-N 2.83Å; G124-H140 PolarHBondContact O-ND1 2.91Å
125	N	97.5	Very high	95.7	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.011	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.4	-173.9	-65.9	-32.8	0	0	0	112	F119 D120 Y123 L127 A139 H140 Y154	F119-N125 WeakPolarHBondContact CA-O 3.09Å; D120-N125 HydrophobicContact CB-CB 4.49Å; D120-N125 PolarHBondContact N-O 2.91Å; D120-N125 PolarHBondContact O-N 2.78Å; Y123-N125 VanDerWaalsContact C-N 3.32Å; Y123-N125 VanDerWaalsContact CB-ND2 3.35Å; Y123-N125 WeakPolarHBondContact CB-ND2 3.29Å; Y123-N125 PolarHBondContact O-N 2.83Å; Y123-N125 PolarHBondContact O-OD1 3.48Å; N125-L127 HydrophobicContact CB-CD2 3.98Å; N125-L127 HydrophobicContact CB-CG 4.33Å; N125-A139 CarbonylContact C-O 3.33Å; N125-A139 VanDerWaalsContact CA-O 3.3Å; N125-A139 WeakPolarHBondContact CA-O 3.46Å; N125-H140 VanDerWaalsContact OD1-CB 3.27Å; N125-H140 WeakPolarHBondContact OD1-CB 3.43Å; N125-H140 PolarHBondContact OD1-ND1 3.35Å; N125-Y154 WeakPolarHBondContact CB-OH 3.47Å; N125-Y154 PolarHBondContact ND2-OH 3.16Å
126	L	95.8	Very high	96	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.026	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.4	163.6	-73.2	171.7	0	0	0	109.3	W118 F119 G138 A139 L169 T178 A182 F446	W118-L126 CarbonylContact O-C 3.49Å; F119-L126 HydrophobicContact CB-CD2 4.29Å; F119-L126 HydrophobicContact CD2-CD2 3.81Å; F119-L126 HydrophobicContact CD2-CG 4.21Å; L126-G138 CarbonylContact O-C 3.59Å; L126-G138 WeakPolarHBondContact O-CA 3.26Å; L126-A139 PolarHBondContact N-O 2.93Å; L126-A139 PolarHBondContact O-N 2.92Å; L126-L169 HydrophobicContact CD2-CD1 3.64Å; L126-T178 HydrophobicContact CD1-CG2 3.99Å; L126-T178 HydrophobicContact CD2-CG2 3.99Å; L126-A182 HydrophobicContact CD1-CB 3.86Å; L126-F446 HydrophobicContact CB-CZ 3.88Å; L126-F446 HydrophobicContact CD1-CZ 4.4Å
127	L	96.6	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.5	-176.2	-54.3	177.3	0	0	0	109.9	W118 D120 N125 V129 I135 V137 Y154 I159	W118-L127 HydrophobicContact CB-CB 4.22Å; W118-L127 PolarHBondContact N-O 2.83Å; W118-L127 PolarHBondContact O-N 3.06Å; D120-L127 HydrophobicContact CB-CD1 4.17Å; N125-L127 HydrophobicContact CB-CD2 3.98Å; N125-L127 HydrophobicContact CB-CG 4.33Å; L127-V129 HydrophobicContact CB-CG1 4Å; L127-I135 HydrophobicContact CD1-CD1 4.09Å; L127-I135 HydrophobicContact CD1-CG1 4.37Å; L127-I135 HydrophobicContact CD2-CD1 4.34Å; L127-I135 HydrophobicContact CD2-CG2 4.17Å; L127-V137 WeakPolarHBondContact CA-O 3.32Å; L127-Y154 HydrophobicContact CD1-CE1 3.91Å; L127-Y154 HydrophobicContact CD1-CE2 4.35Å; L127-Y154 HydrophobicContact CD2-CE2 4.02Å; L127-I159 HydrophobicContact CD1-CD1 3.96Å; L127-I159 HydrophobicContact CD1-CG2 4.03Å
128	K	95.4	Very high	96.3	Very high	6 Å²	6	24 Å²	24	3%	0.026	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119.8	162.7	-169.9	169.1	176.9	178.7	0	107.6	L117 L136 V137 F446 G447 S448 R451 T457	L117-K128 HydrophobicContact CD2-CB 3.66Å; L117-K128 HydrophobicContact CD2-CD 4.44Å; L117-K128 HydrophobicContact CD2-CG 4.09Å; K128-L136 WeakPolarHBondContact O-CA 3.34Å; K128-L136 WeakPolarHBondContact O-CB 3.29Å; K128-L136 PolarHBondContact O-N 2.91Å; K128-V137 HydrophobicContact CB-CB 4.03Å; K128-V137 PolarHBondContact N-O 2.51Å; K128-V137 PolarHBondContact O-N 2.78Å; K128-F446 HydrophobicContact CB-CD1 4.23Å; K128-F446 HydrophobicContact CD-CB 4.26Å; K128-F446 VanDerWaalsContact CD-O 3.28Å; K128-F446 WeakPolarHBondContact CD-O 3.41Å; K128-F446 PolarHBondContact NZ-O 2.91Å; K128-G447 PolarHBondContact NZ-O 2.94Å; K128-S448 WeakPolarHBondContact CE-O 3.21Å; K128-S448 PolarHBondContact NZ-O 2.87Å; K128-R451 PolarHBondContact NZ-O 3.16Å; K128-R451 VanDerWaalsContact NZ-O 3.1Å; K128-T457 HydrophobicContact CD-CG2 4.37Å; K128-T457 HydrophobicContact CG-CG2 4.31Å
129	V	97.1	Very high	96.2	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	160.7	-175.4	-53.9	0	0	0	0	111.6	W118 L127 N134 I135 I159 T457 F458	W118-V129 HydrophobicContact CD2-CG1 4.32Å; W118-V129 HydrophobicContact CD2-CG2 3.53Å; W118-V129 HydrophobicContact CE3-CG1 4.19Å; W118-V129 HydrophobicContact CE3-CG2 3.91Å; W118-V129 HydrophobicContact CG-CG2 4.01Å; W118-V129 HydrophobicContact CH2-CG2 3.95Å; W118-V129 HydrophobicContact CZ2-CG2 3.6Å; W118-V129 HydrophobicContact CZ3-CG2 4.13Å; L127-V129 HydrophobicContact CB-CG1 4Å; V129-N134 CarbonylContact C-O 3.56Å; V129-N134 VanDerWaalsContact CA-O 3.24Å; V129-N134 WeakPolarHBondContact CA-O 3.42Å; V129-N134 WeakPolarHBondContact CB-O 3.36Å; V129-I135 HydrophobicContact CG1-CG1 4.17Å; V129-I159 HydrophobicContact CG1-CG2 4.11Å; V129-T457 CarbonylContact O-C 3.54Å; V129-F458 HydrophobicContact CG2-CB 3.89Å; V129-F458 HydrophobicContact CG2-CG 4.48Å; V129-F458 PolarHBondContact O-N 2.99Å
130	D	96.2	Very high	96.2	Very high	8 Å²	8	24 Å²	24	4%	0.043	12%	0.115	C	C	.	.			trans	-85	177.5	170.5	81.9	4.4	0	0	0	111.6	Y132 G133 N134 L136 R455	D130-Y132 PolarHBondContact O-N 2.84Å; D130-Y132 VanDerWaalsContact O-N 3.08Å; D130-Y132 WeakPolarHBondContact OD1-CA 3.28Å; D130-Y132 WeakPolarHBondContact OD1-CB 3.29Å; D130-Y132 PolarHBondContact OD1-N 3.19Å; D130-G133 PolarHBondContact O-N 3.43Å; D130-G133 VanDerWaalsContact O-N 3.16Å; D130-G133 PolarHBondContact OD1-N 3.37Å; D130-G133 VanDerWaalsContact OD1-N 3.09Å; D130-N134 PolarHBondContact N-O 2.84Å; D130-N134 PolarHBondContact OD1-N 2.93Å; D130-N134 PolarHBondContact OD1-ND2 3.05Å; D130-N134 WeakPolarHBondContact OD2-CB 3.28Å; D130-N134 PolarHBondContact OD2-ND2 3.34Å; D130-L136 HydrophobicContact CB-CD1 4.08Å; D130-L136 HydrophobicContact CB-CD2 4.15Å; D130-L136 HydrophobicContact CB-CG 4.23Å; D130-R455 IonicContact OD2-NH1 2.91Å
131	P	94.7	Very high	95.8	Very high	42 Å²	42	24.3 Å²	24.3	27%	0.273	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.6	-177.2	-26.5	38.2	0	0	0	114.9	Q456 S461	P131-Q456 WeakPolarHBondContact CD-O 3.48Å; P131-S461 WeakPolarHBondContact CB-OG 3.46Å; P131-S461 WeakPolarHBondContact CG-OG 3.01Å
132	Y	95.1	Very high	95.5	Very high	182 Å²	182	28.2 Å²	28.2	71%	0.714	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-12.2	-176	-53.1	-71.3	0	0	0	112	D130 F158	D130-Y132 PolarHBondContact O-N 2.84Å; D130-Y132 VanDerWaalsContact O-N 3.08Å; D130-Y132 WeakPolarHBondContact OD1-CA 3.28Å; D130-Y132 WeakPolarHBondContact OD1-CB 3.29Å; D130-Y132 PolarHBondContact OD1-N 3.19Å; Y132-F158 WeakPolarHBondContact O-CE2 3.39Å
133	G	96.2	Very high	95.2	Very high	1 Å²	1	30 Å²	30	1%	0.01	15%	0.145	C	C	.	.	S	Bend	trans	98.9	10.4	-176.2	0	0	0	0	0	113.9	D130 F158 I159	D130-G133 PolarHBondContact O-N 3.43Å; D130-G133 VanDerWaalsContact O-N 3.16Å; D130-G133 PolarHBondContact OD1-N 3.37Å; D130-G133 VanDerWaalsContact OD1-N 3.09Å; G133-F158 WeakPolarHBondContact O-CA 3.39Å; G133-I159 WeakPolarHBondContact CA-O 3.47Å; G133-I159 PolarHBondContact O-N 3.44Å
134	N	97.8	Very high	94.9	Very high	48 Å²	48	31.6 Å²	31.6	26%	0.257	15%	0.153	S	C	.	.	B	Isolated β-bridge	trans	-75.1	132.1	171.7	-52.6	-69.2	0	0	0	109.7	V129 D130 L136	V129-N134 CarbonylContact C-O 3.56Å; V129-N134 VanDerWaalsContact CA-O 3.24Å; V129-N134 WeakPolarHBondContact CA-O 3.42Å; V129-N134 WeakPolarHBondContact CB-O 3.36Å; D130-N134 PolarHBondContact N-O 2.84Å; D130-N134 PolarHBondContact OD1-N 2.93Å; D130-N134 PolarHBondContact OD1-ND2 3.05Å; D130-N134 WeakPolarHBondContact OD2-CB 3.28Å; D130-N134 PolarHBondContact OD2-ND2 3.34Å; N134-L136 PolarHBondContact O-N 3.26Å
135	I	97.6	Very high	94.9	Very high	16 Å²	16	33 Å²	33	8%	0.082	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	119.6	-179.2	-59.1	168.8	0	0	0	109.1	L127 V129 I150 Y154 K157 I159	L127-I135 HydrophobicContact CD1-CD1 4.09Å; L127-I135 HydrophobicContact CD1-CG1 4.37Å; L127-I135 HydrophobicContact CD2-CD1 4.34Å; L127-I135 HydrophobicContact CD2-CG2 4.17Å; V129-I135 HydrophobicContact CG1-CG1 4.17Å; I135-I150 HydrophobicContact CB-CG2 4.2Å; I135-I150 HydrophobicContact CD1-CG2 3.94Å; I135-I150 HydrophobicContact CG2-CD1 4.06Å; I135-I150 HydrophobicContact CG2-CG2 4.07Å; I135-Y154 HydrophobicContact CD1-CD1 3.77Å; I135-Y154 HydrophobicContact CD1-CD2 3.46Å; I135-Y154 VanDerWaalsContact CD1-CD2 3.46Å; I135-Y154 HydrophobicContact CD1-CE1 4.34Å; I135-Y154 HydrophobicContact CD1-CE2 4.06Å; I135-Y154 HydrophobicContact CD1-CG 3.29Å; I135-K157 PolarHBondContact N-O 2.94Å; I135-I159 HydrophobicContact CD1-CG2 4.34Å; I135-I159 HydrophobicContact CG1-CG2 4.1Å
136	L	95.1	Very high	94.8	Very high	37 Å²	37	35.9 Å²	35.9	19%	0.194	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-44.9	176.7	-57.2	173.9	0	0	0	110.5	K128 D130 N134 R455 T457	K128-L136 WeakPolarHBondContact O-CA 3.34Å; K128-L136 WeakPolarHBondContact O-CB 3.29Å; K128-L136 PolarHBondContact O-N 2.91Å; D130-L136 HydrophobicContact CB-CD1 4.08Å; D130-L136 HydrophobicContact CB-CD2 4.15Å; D130-L136 HydrophobicContact CB-CG 4.23Å; N134-L136 PolarHBondContact O-N 3.26Å; L136-R455 HydrophobicContact CD2-CB 4.02Å; L136-R455 HydrophobicContact CD2-CG 4.4Å; L136-T457 HydrophobicContact CD1-CG2 4.45Å
137	V	93.1	Very high	94.6	Very high	29 Å²	29	40 Å²	40	18%	0.176	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	139.8	179.6	-173.7	0	0	0	0	108.6	L127 K128 F144 F446	L127-V137 WeakPolarHBondContact CA-O 3.32Å; K128-V137 HydrophobicContact CB-CB 4.03Å; K128-V137 PolarHBondContact N-O 2.51Å; K128-V137 PolarHBondContact O-N 2.78Å; V137-F144 HydrophobicContact CG1-CD1 3.58Å; V137-F144 HydrophobicContact CG1-CE1 3.54Å; V137-F446 HydrophobicContact CB-CD1 4.27Å; V137-F446 HydrophobicContact CG1-CD1 3.95Å; V137-F446 HydrophobicContact CG1-CE1 4.15Å
138	G	95	Very high	94.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	142.9	173.5	0	0	0	0	0	111	L126 L145	L126-G138 CarbonylContact O-C 3.59Å; L126-G138 WeakPolarHBondContact O-CA 3.26Å; G138-L145 PolarHBondContact O-N 3.1Å
139	A	94	Very high	94.6	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.017	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.9	172.5	0	0	0	0	0	110.7	N125 L126 D143 F144 F446	N125-A139 CarbonylContact C-O 3.33Å; N125-A139 VanDerWaalsContact CA-O 3.3Å; N125-A139 WeakPolarHBondContact CA-O 3.46Å; L126-A139 PolarHBondContact N-O 2.93Å; L126-A139 PolarHBondContact O-N 2.92Å; A139-D143 CarbonylContact C-O 3.52Å; A139-D143 VanDerWaalsContact CA-O 3.3Å; A139-D143 WeakPolarHBondContact CA-O 3.33Å; A139-F144 HydrophobicContact CB-CD1 4.28Å; A139-F144 HydrophobicContact CB-CE1 4.27Å; A139-F144 HydrophobicContact CB-CG 4.45Å; A139-F144 HydrophobicContact CB-CZ 4.39Å; A139-F446 HydrophobicContact CB-CE1 4.23Å; A139-F446 HydrophobicContact CB-CZ 3.77Å
140	H	95	Very high	94.6	Very high	7 Å²	7	45.2 Å²	45.2	3%	0.032	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112.7	172.5	-170.7	82.4	0	0	0	108.5	Y123 G124 N125 F142 D143 L145 V185 D189 R196 Y210	Y123-H140 PolarHBondContact O-CE1 3.23Å; Y123-H140 PolarHBondContact O-ND1 2.84Å; Y123-H140 VanDerWaalsContact O-ND1 3.13Å; G124-H140 PolarHBondContact O-ND1 2.91Å; N125-H140 VanDerWaalsContact OD1-CB 3.27Å; N125-H140 WeakPolarHBondContact OD1-CB 3.43Å; N125-H140 PolarHBondContact OD1-ND1 3.35Å; H140-F142 PolarHBondContact O-N 3.23Å; H140-F142 VanDerWaalsContact O-N 3.12Å; H140-D143 PolarHBondContact N-O 2.95Å; H140-D143 PolarHBondContact O-N 3.15Å; H140-L145 HydrophobicContact CB-CD2 4.01Å; H140-V185 WeakPolarHBondContact NE2-CG1 3.34Å; H140-D189 IonicContact CD2-OD2 3.26Å; H140-D189 PolarHBondContact CD2-OD2 3.47Å; H140-D189 IonicContact NE2-OD2 3.94Å; H140-D189 PolarHBondContact NE2-OD2 3.2Å; H140-R196 PolarHBondContact CD2-NH2 2.99Å; H140-R196 PolarHBondContact NE2-NE 3.33Å; H140-R196 PolarHBondContact NE2-NH2 3.34Å; H140-Y210 AromaticContact CE1-CE2 3.72Å; H140-Y210 AromaticContact CE1-CZ 3.51Å; H140-Y210 PolarHBondContact CE1-OH 3.29Å; H140-Y210 AromaticContact NE2-CZ 3.77Å; H140-Y210 PolarHBondContact NE2-OH 3.48Å
141	G	91.3	Very high	94.6	Very high	5 Å²	5	50 Å²	50	5%	0.052	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	-118	-163.7	0	0	0	0	0	110.6	A182	G141-A182 VanDerWaalsContact CA-O 3.25Å; G141-A182 WeakPolarHBondContact CA-O 3.46Å
142	F	89.8	Confident	94.7	Very high	87 Å²	87	52.1 Å²	52.1	38%	0.382	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-0.6	175.4	-57.9	-47.5	0	0	0	114.4	H140 Y179 A182 S183 N186	H140-F142 PolarHBondContact O-N 3.23Å; H140-F142 VanDerWaalsContact O-N 3.12Å; F142-Y179 HydrophobicContact CE1-CD2 4.43Å; F142-Y179 AromaticContact CE1-CE2 3.88Å; F142-Y179 HydrophobicContact CE1-CE2 3.88Å; F142-Y179 HydrophobicContact CZ-CE2 4.07Å; F142-A182 HydrophobicContact CD1-CB 4.22Å; F142-A182 HydrophobicContact CE1-CB 3.92Å; F142-S183 WeakPolarHBondContact CZ-OG 3.3Å; F142-N186 HydrophobicContact CD2-CB 3.75Å; F142-N186 HydrophobicContact CE2-CB 3.94Å; F142-N186 HydrophobicContact CG-CB 4.38Å
143	D	91.7	Very high	94.8	Very high	99 Å²	99	45.3 Å²	45.3	53%	0.529	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120	-178.6	-69.2	-37.5	0	0	0	111.1	A139 H140	A139-D143 CarbonylContact C-O 3.52Å; A139-D143 VanDerWaalsContact CA-O 3.3Å; A139-D143 WeakPolarHBondContact CA-O 3.33Å; H140-D143 PolarHBondContact N-O 2.95Å; H140-D143 PolarHBondContact O-N 3.15Å
144	F	91.9	Very high	94.9	Very high	85 Å²	85	45.4 Å²	45.4	37%	0.373	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	130.3	175.2	-77.9	-98	0	0	0	111	V137 A139 I445 F446	V137-F144 HydrophobicContact CG1-CD1 3.58Å; V137-F144 HydrophobicContact CG1-CE1 3.54Å; A139-F144 HydrophobicContact CB-CD1 4.28Å; A139-F144 HydrophobicContact CB-CE1 4.27Å; A139-F144 HydrophobicContact CB-CG 4.45Å; A139-F144 HydrophobicContact CB-CZ 4.39Å; F144-I445 HydrophobicContact CE2-CD1 3.4Å; F144-I445 VanDerWaalsContact CE2-CD1 3.4Å; F144-I445 HydrophobicContact CE2-CG1 3.6Å; F144-I445 HydrophobicContact CZ-CB 4.36Å; F144-I445 HydrophobicContact CZ-CD1 3.67Å; F144-I445 HydrophobicContact CZ-CG1 3.52Å; F144-I445 HydrophobicContact CZ-CG2 4.37Å; F144-F446 HydrophobicContact CE1-CD1 4.2Å; F144-F446 HydrophobicContact CE1-CE1 4.05Å; F144-F446 HydrophobicContact CE1-CZ 4.33Å; F144-F446 HydrophobicContact CZ-CE1 4.49Å; F144-F446 HydrophobicContact CZ-CE2 4.41Å; F144-F446 HydrophobicContact CZ-CZ 4.36Å
145	L	95.7	Very high	94.7	Very high	31 Å²	31	47.7 Å²	47.7	16%	0.162	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-74.1	130.8	-178.7	-60.8	178.4	0	0	0	110.4	G138 H140 A149 I150	G138-L145 PolarHBondContact O-N 3.1Å; H140-L145 HydrophobicContact CB-CD2 4.01Å; L145-A149 HydrophobicContact CB-CB 4.32Å; L145-A149 HydrophobicContact CD2-CB 4.34Å; L145-I150 HydrophobicContact CB-CD1 4.24Å; L145-I150 HydrophobicContact CB-CG1 3.64Å; L145-I150 HydrophobicContact CD1-CG1 4.26Å
146	S	95.4	Very high	94.5	Very high	62 Å²	62	53.9 Å²	53.9	43%	0.434	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-66.9	158.6	170.9	76.1	0	0	0	0	110.6	A148 A149 I150	S146-A148 PolarHBondContact O-N 3.01Å; S146-A148 VanDerWaalsContact O-N 3.13Å; S146-A149 PolarHBondContact O-N 3.12Å; S146-A149 PolarHBondContact OG-N 3.01Å; S146-A149 VanDerWaalsContact OG-N 3.16Å; S146-I150 WeakPolarHBondContact O-CG1 3.35Å; S146-I150 PolarHBondContact O-N 3.36Å
147	P	92.2	Very high	94.6	Very high	90 Å²	90	55.6 Å²	55.6	58%	0.584	33%	0.326	S	S	*	.	H	α-helix	trans	-54.9	-33.3	175.3	-27.8	35.7	0	0	0	113.7	E151 K157	P147-E151 WeakPolarHBondContact O-CB 3.36Å; P147-E151 PolarHBondContact O-N 2.86Å; P147-K157 WeakPolarHBondContact O-CE 3.35Å
148	A	95	Very high	94.8	Very high	71 Å²	71	58.3 Å²	58.3	59%	0.587	34%	0.335	S	S	*	.	H	α-helix	trans	-71.7	-39.6	176.7	0	0	0	0	0	112.1	S146 E151 A152	S146-A148 PolarHBondContact O-N 3.01Å; S146-A148 VanDerWaalsContact O-N 3.13Å; A148-E151 PolarHBondContact O-N 3.33Å; A148-A152 WeakPolarHBondContact O-CB 3.27Å; A148-A152 PolarHBondContact O-N 3.13Å
149	A	96.6	Very high	94.9	Very high	35 Å²	35	58.5 Å²	58.5	29%	0.289	34%	0.336	S	S	.	.	H	α-helix	trans	-66.2	-40.7	175.5	0	0	0	0	0	111.7	L145 S146 E151 A152 L153	L145-A149 HydrophobicContact CB-CB 4.32Å; L145-A149 HydrophobicContact CD2-CB 4.34Å; S146-A149 PolarHBondContact O-N 3.12Å; S146-A149 PolarHBondContact OG-N 3.01Å; S146-A149 VanDerWaalsContact OG-N 3.16Å; A149-E151 VanDerWaalsContact C-N 3.35Å; A149-A152 PolarHBondContact O-N 3.42Å; A149-L153 PolarHBondContact O-N 3.4Å
150	I	97.7	Very high	94.9	Very high	12 Å²	12	65.5 Å²	65.5	6%	0.062	37%	0.369	C	S	.	.	H	α-helix	trans	-60.6	-46.8	173.2	-65.4	174.4	0	0	0	110	I135 L145 S146 A152 L153 Y154 K157	I135-I150 HydrophobicContact CB-CG2 4.2Å; I135-I150 HydrophobicContact CD1-CG2 3.94Å; I135-I150 HydrophobicContact CG2-CD1 4.06Å; I135-I150 HydrophobicContact CG2-CG2 4.07Å; L145-I150 HydrophobicContact CB-CD1 4.24Å; L145-I150 HydrophobicContact CB-CG1 3.64Å; L145-I150 HydrophobicContact CD1-CG1 4.26Å; S146-I150 WeakPolarHBondContact O-CG1 3.35Å; S146-I150 PolarHBondContact O-N 3.36Å; I150-A152 VanDerWaalsContact C-N 3.31Å; I150-A152 PolarHBondContact O-N 3.37Å; I150-L153 PolarHBondContact O-N 3.48Å; I150-Y154 HydrophobicContact CG2-CD2 4.04Å; I150-Y154 WeakPolarHBondContact O-CA 3.49Å; I150-Y154 WeakPolarHBondContact O-CB 3.21Å; I150-Y154 WeakPolarHBondContact O-CD2 3.46Å; I150-Y154 PolarHBondContact O-N 2.92Å; I150-K157 HydrophobicContact CG2-CB 4.15Å; I150-K157 HydrophobicContact CG2-CG 3.99Å
151	E	96.1	Very high	94.9	Very high	108 Å²	108	69 Å²	69	51%	0.505	39%	0.387	S	S	.	.	H	α-helix	trans	-66.8	-31.3	-177.3	-165.2	160.9	171.9	0	0	113.2	P147 A148 A149 K157	P147-E151 WeakPolarHBondContact O-CB 3.36Å; P147-E151 PolarHBondContact O-N 2.86Å; A148-E151 PolarHBondContact O-N 3.33Å; A149-E151 VanDerWaalsContact C-N 3.35Å; E151-K157 HydrophobicContact CB-CG 4.47Å; E151-K157 WeakPolarHBondContact OE2-CE 3.42Å; E151-K157 IonicContact OE2-NZ 3.68Å; E151-K157 PolarHBondContact OE2-NZ 2.73Å
152	A	96.5	Very high	95	Very high	86 Å²	86	71 Å²	71	71%	0.711	40%	0.4	S	S	*	.	H	α-helix	trans	-68.5	-34.5	174.4	0	0	0	0	0	113.2	A148 A149 I150	A148-A152 WeakPolarHBondContact O-CB 3.27Å; A148-A152 PolarHBondContact O-N 3.13Å; A149-A152 PolarHBondContact O-N 3.42Å; I150-A152 VanDerWaalsContact C-N 3.31Å; I150-A152 PolarHBondContact O-N 3.37Å
153	L	97.3	Very high	94.8	Very high	39 Å²	39	75.6 Å²	75.6	20%	0.204	42%	0.423	C	S	.	.	H	α-helix	trans	-92.1	-32.8	-179.4	-64.3	176.9	0	0	0	112.9	Y123 A149 I150 T198	Y123-L153 HydrophobicContact CD1-CD2 4.49Å; Y123-L153 HydrophobicContact CD2-CB 4.06Å; Y123-L153 HydrophobicContact CD2-CD2 4.4Å; Y123-L153 HydrophobicContact CE2-CB 4.04Å; Y123-L153 HydrophobicContact CE2-CD2 4.45Å; Y123-L153 WeakPolarHBondContact CE2-O 3.49Å; Y123-L153 HydrophobicContact CG-CD2 4.44Å; A149-L153 PolarHBondContact O-N 3.4Å; I150-L153 PolarHBondContact O-N 3.48Å; L153-T198 HydrophobicContact CD2-CG2 3.6Å
154	Y	97.9	Very high	94.9	Very high	3 Å²	3	78.6 Å²	78.6	1%	0.012	43%	0.434	C	S	.	.	S	Bend	trans	-126.5	93.9	-173.3	-54.3	-78.2	0	0	0	109.2	D120 Y123 N125 L127 I135 I150 N156 K157 I159	D120-Y154 WeakPolarHBondContact OD2-CE1 3.3Å; D120-Y154 VanDerWaalsContact OD2-CZ 3.31Å; D120-Y154 PolarHBondContact OD2-OH 2.98Å; Y123-Y154 AromaticContact CD2-CE1 3.85Å; Y123-Y154 HydrophobicContact CD2-CE1 3.85Å; Y123-Y154 HydrophobicContact CD2-CE2 4.46Å; Y123-Y154 AromaticContact CD2-CZ 3.73Å; Y123-Y154 HydrophobicContact CE2-CE1 4.16Å; N125-Y154 WeakPolarHBondContact CB-OH 3.47Å; N125-Y154 PolarHBondContact ND2-OH 3.16Å; L127-Y154 HydrophobicContact CD1-CE1 3.91Å; L127-Y154 HydrophobicContact CD1-CE2 4.35Å; L127-Y154 HydrophobicContact CD2-CE2 4.02Å; I135-Y154 HydrophobicContact CD1-CD1 3.77Å; I135-Y154 HydrophobicContact CD1-CD2 3.46Å; I135-Y154 VanDerWaalsContact CD1-CD2 3.46Å; I135-Y154 HydrophobicContact CD1-CE1 4.34Å; I135-Y154 HydrophobicContact CD1-CE2 4.06Å; I135-Y154 HydrophobicContact CD1-CG 3.29Å; I150-Y154 HydrophobicContact CG2-CD2 4.04Å; I150-Y154 WeakPolarHBondContact O-CA 3.49Å; I150-Y154 WeakPolarHBondContact O-CB 3.21Å; I150-Y154 WeakPolarHBondContact O-CD2 3.46Å; I150-Y154 PolarHBondContact O-N 2.92Å; Y154-N156 PolarHBondContact O-N 3.1Å; Y154-K157 WeakPolarHBondContact O-CA 3.39Å; Y154-K157 PolarHBondContact O-N 2.76Å; Y154-I159 HydrophobicContact CD1-CB 4.29Å; Y154-I159 HydrophobicContact CD1-CD1 4.42Å; Y154-I159 HydrophobicContact CE1-CD1 3.96Å
155	P	93.9	Very high	95	Very high	97 Å²	97	77.6 Å²	77.6	63%	0.63	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-51	134.6	175.2	-27.5	35.4	0	0	0	111.2	K157 F158	P155-K157 PolarHBondContact O-N 3.46Å; P155-K157 VanDerWaalsContact O-N 3.16Å; P155-F158 PolarHBondContact O-N 3.36Å
156	N	93.8	Very high	95.1	Very high	146 Å²	146	76.4 Å²	76.4	78%	0.781	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	60.2	15.7	-174.3	-53.4	-51	0	0	0	115.4	Y154 F158	Y154-N156 PolarHBondContact O-N 3.1Å; N156-F158 HydrophobicContact CB-CB 4.4Å; N156-F158 PolarHBondContact O-N 3.24Å
157	K	96.1	Very high	95	Very high	73 Å²	73	76.3 Å²	76.3	32%	0.317	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	55.3	36.7	-175.5	-56.3	177.2	179.8	155.3	0	111.8	I135 P147 I150 E151 Y154 P155	I135-K157 PolarHBondContact N-O 2.94Å; P147-K157 WeakPolarHBondContact O-CE 3.35Å; I150-K157 HydrophobicContact CG2-CB 4.15Å; I150-K157 HydrophobicContact CG2-CG 3.99Å; E151-K157 HydrophobicContact CB-CG 4.47Å; E151-K157 WeakPolarHBondContact OE2-CE 3.42Å; E151-K157 IonicContact OE2-NZ 3.68Å; E151-K157 PolarHBondContact OE2-NZ 2.73Å; Y154-K157 WeakPolarHBondContact O-CA 3.39Å; Y154-K157 PolarHBondContact O-N 2.76Å; P155-K157 PolarHBondContact O-N 3.46Å; P155-K157 VanDerWaalsContact O-N 3.16Å
158	F	97.2	Very high	95.1	Very high	85 Å²	85	73.3 Å²	73.3	37%	0.373	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-125.7	143.4	-172.3	177	-88.2	0	0	0	110.5	Y132 G133 P155 N156 Q160	Y132-F158 WeakPolarHBondContact O-CE2 3.39Å; G133-F158 WeakPolarHBondContact O-CA 3.39Å; P155-F158 PolarHBondContact O-N 3.36Å; N156-F158 HydrophobicContact CB-CB 4.4Å; N156-F158 PolarHBondContact O-N 3.24Å; F158-Q160 HydrophobicContact CE1-CB 4.09Å
159	I	97.2	Very high	95	Very high	6 Å²	6	70 Å²	70	3%	0.031	37%	0.365	C	S	.	.			trans	-137.5	131.6	170.5	-173.8	173.4	0	0	0	109.7	W118 D120 L127 V129 G133 I135 Y154 V166	W118-I159 HydrophobicContact CE3-CG2 3.89Å; W118-I159 HydrophobicContact CZ3-CG2 3.91Å; D120-I159 HydrophobicContact CB-CD1 4.31Å; L127-I159 HydrophobicContact CD1-CD1 3.96Å; L127-I159 HydrophobicContact CD1-CG2 4.03Å; V129-I159 HydrophobicContact CG1-CG2 4.11Å; G133-I159 WeakPolarHBondContact CA-O 3.47Å; G133-I159 PolarHBondContact O-N 3.44Å; I135-I159 HydrophobicContact CD1-CG2 4.34Å; I135-I159 HydrophobicContact CG1-CG2 4.1Å; Y154-I159 HydrophobicContact CD1-CB 4.29Å; Y154-I159 HydrophobicContact CD1-CD1 4.42Å; Y154-I159 HydrophobicContact CE1-CD1 3.96Å; I159-V166 HydrophobicContact CD1-CG2 3.53Å; I159-V166 HydrophobicContact CG1-CG2 4.12Å
160	Q	95.4	Very high	94.5	Very high	149 Å²	149	68.8 Å²	68.8	70%	0.696	35%	0.354	S	S	*	.			trans	-80.3	135.9	174.2	-174.8	171.2	1.4	0	0	110.2	F158 S162	F158-Q160 HydrophobicContact CE1-CB 4.09Å; Q160-S162 PolarHBondContact O-N 3.17Å; Q160-S162 VanDerWaalsContact O-N 3.14Å
161	L	94.3	Very high	94	Very high	79 Å²	79	69.6 Å²	69.6	41%	0.414	36%	0.359	S	S	.	.			trans	-66.4	112.3	171	-173.2	56.2	0	0	0	109.6	W118 V166 V168 F458	W118-L161 HydrophobicContact CD2-CD1 4.41Å; W118-L161 HydrophobicContact CE3-CD1 4.41Å; W118-L161 HydrophobicContact CH2-CB 3.52Å; W118-L161 HydrophobicContact CH2-CD1 3.96Å; W118-L161 HydrophobicContact CH2-CD2 4.41Å; W118-L161 HydrophobicContact CH2-CG 4.16Å; W118-L161 HydrophobicContact CZ2-CB 4.12Å; W118-L161 HydrophobicContact CZ2-CD1 3.91Å; W118-L161 HydrophobicContact CZ2-CD2 4.18Å; W118-L161 HydrophobicContact CZ2-CG 4.29Å; W118-L161 HydrophobicContact CZ3-CB 3.98Å; W118-L161 HydrophobicContact CZ3-CD1 4.18Å; L161-V166 HydrophobicContact CD1-CB 4.08Å; L161-V166 HydrophobicContact CD1-CG1 3.76Å; L161-V168 HydrophobicContact CD1-CG2 3.61Å; L161-F458 HydrophobicContact CD2-CZ 3.99Å
162	S	93.3	Very high	93.6	Very high	48 Å²	48	65.1 Å²	65.1	34%	0.336	34%	0.339	S	S	.	.			trans	-131	129.7	171.3	171.2	0	0	0	0	108.5	Q160 E164 R165 V166	Q160-S162 PolarHBondContact O-N 3.17Å; Q160-S162 VanDerWaalsContact O-N 3.14Å; S162-E164 PolarHBondContact O-N 3.2Å; S162-E164 PolarHBondContact OG-N 3.18Å; S162-R165 PolarHBondContact O-N 3.4Å; S162-R165 VanDerWaalsContact O-N 3.15Å; S162-V166 PolarHBondContact O-N 3.2Å
163	E	86.9	Confident	93.1	Very high	184 Å²	184	63.3 Å²	63.3	86%	0.86	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.7	-179	-64.9	-177.9	179.3	0	0	112.7
164	E	92.2	Very high	92.5	Very high	162 Å²	162	61.6 Å²	61.6	76%	0.757	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-33.2	178.3	-62.6	178.2	175.8	0	0	112.7	N121 S162	N121-E164 PolarHBondContact ND2-O 3.42Å; S162-E164 PolarHBondContact O-N 3.2Å; S162-E164 PolarHBondContact OG-N 3.18Å
165	R	95.5	Very high	91.9	Very high	63 Å²	63	61.8 Å²	61.8	24%	0.238	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-41	-172.1	175.6	174.4	-178.1	172.6	1.1	113.2	D120 N121 I122 S162	D120-R165 WeakPolarHBondContact OD1-CG 3.16Å; D120-R165 IonicContact OD1-CZ 2.82Å; D120-R165 IonicContact OD1-NE 3.38Å; D120-R165 PolarHBondContact OD1-NE 3.17Å; D120-R165 IonicContact OD1-NH2 2.84Å; D120-R165 PolarHBondContact OD1-NH2 3.32Å; D120-R165 IonicContact OD2-CZ 2.86Å; D120-R165 IonicContact OD2-NE 2.94Å; D120-R165 IonicContact OD2-NH2 3.65Å; D120-R165 PolarHBondContact OD2-NH2 3.48Å; N121-R165 PolarHBondContact N-O 2.88Å; N121-R165 PolarHBondContact ND2-O 2.82Å; N121-R165 PolarHBondContact OD1-O 3.14Å; I122-R165 HydrophobicContact CD1-CB 4.49Å; I122-R165 HydrophobicContact CD1-CG 3.83Å; I122-R165 HydrophobicContact CG1-CG 3.98Å; S162-R165 PolarHBondContact O-N 3.4Å; S162-R165 VanDerWaalsContact O-N 3.15Å
166	V	97	Very high	91.7	Very high	6 Å²	6	57.7 Å²	57.7	4%	0.036	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.5	-169.4	175.2	0	0	0	0	109.1	W118 F119 I159 L161 S162 V168	W118-V166 HydrophobicContact CB-CG1 3.72Å; W118-V166 HydrophobicContact CD2-CG1 3.6Å; W118-V166 HydrophobicContact CE3-CB 4.43Å; W118-V166 HydrophobicContact CE3-CG1 3.52Å; W118-V166 HydrophobicContact CE3-CG2 4.23Å; W118-V166 HydrophobicContact CG-CG1 3.71Å; W118-V166 HydrophobicContact CZ3-CG1 4.36Å; F119-V166 WeakPolarHBondContact O-CA 3.3Å; I159-V166 HydrophobicContact CD1-CG2 3.53Å; I159-V166 HydrophobicContact CG1-CG2 4.12Å; L161-V166 HydrophobicContact CD1-CB 4.08Å; L161-V166 HydrophobicContact CD1-CG1 3.76Å; S162-V166 PolarHBondContact O-N 3.2Å; V166-V168 HydrophobicContact CG1-CG2 4.32Å
167	Y	94.2	Very high	91.5	Very high	60 Å²	60	51 Å²	51	24%	0.235	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.1	166.3	-173.9	-93.1	0	0	0	110.8	W118 F119 L169 Y214 R218	W118-Y167 CarbonylContact C-O 3.32Å; W118-Y167 WeakPolarHBondContact CA-O 3.3Å; F119-Y167 PolarHBondContact N-O 2.94Å; F119-Y167 PolarHBondContact O-N 2.85Å; Y167-L169 HydrophobicContact CD1-CD2 3.83Å; Y167-L169 HydrophobicContact CD1-CG 3.91Å; Y167-L169 HydrophobicContact CE1-CD2 3.77Å; Y167-L169 HydrophobicContact CE1-CG 4.1Å; Y167-Y214 WeakPolarHBondContact CB-OH 3.13Å; Y167-Y214 HydrophobicContact CD1-CE2 4.36Å; Y167-Y214 HydrophobicContact CD2-CE2 4.35Å; Y167-Y214 WeakPolarHBondContact CD2-OH 3.27Å; Y167-Y214 AromaticContact CG-CE2 3.83Å; Y167-Y214 HydrophobicContact CG-CE2 3.83Å; Y167-Y214 AromaticContact CG-CZ 3.92Å; Y167-Y214 VanDerWaalsContact CG-OH 3.31Å; Y167-R218 VanDerWaalsContact CE2-CZ 3.46Å; Y167-R218 VanDerWaalsContact CZ-NH1 3.31Å; Y167-R218 PolarHBondContact OH-NH1 3.44Å
168	V	93.6	Very high	91.3	Very high	28 Å²	28	47.6 Å²	47.6	17%	0.17	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	113	178.8	-170.3	0	0	0	0	109.9	W118 L161 V166 N170 F458	W118-V168 HydrophobicContact CG-CG2 4.39Å; L161-V168 HydrophobicContact CD1-CG2 3.61Å; V166-V168 HydrophobicContact CG1-CG2 4.32Å; V168-N170 VanDerWaalsContact C-N 3.28Å; V168-N170 HydrophobicContact CG1-CB 4.2Å; V168-N170 VanDerWaalsContact CG1-CG 3.44Å; V168-N170 VanDerWaalsContact CG1-ND2 3.33Å; V168-N170 WeakPolarHBondContact CG1-ND2 3.4Å; V168-N170 PolarHBondContact O-N 2.68Å; V168-F458 HydrophobicContact CG1-CD1 4.48Å; V168-F458 HydrophobicContact CG1-CE1 4.21Å
169	L	91.8	Very high	90.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	72.9	-178.1	-64.5	150.6	0	0	0	110.3	R115 G116 L117 F119 L126 Y167 E177 T178 L181	R115-L169 CarbonylContact C-O 3.54Å; R115-L169 VanDerWaalsContact CA-O 3.31Å; R115-L169 WeakPolarHBondContact CA-O 2.9Å; G116-L169 PolarHBondContact N-O 3.2Å; L117-L169 HydrophobicContact CB-CD1 4.31Å; L117-L169 WeakPolarHBondContact O-CB 3.31Å; L117-L169 PolarHBondContact O-N 3.29Å; F119-L169 HydrophobicContact CB-CD1 4.15Å; L126-L169 HydrophobicContact CD2-CD1 3.64Å; Y167-L169 HydrophobicContact CD1-CD2 3.83Å; Y167-L169 HydrophobicContact CD1-CG 3.91Å; Y167-L169 HydrophobicContact CE1-CD2 3.77Å; Y167-L169 HydrophobicContact CE1-CG 4.1Å; L169-E177 HydrophobicContact CD2-CG 4.26Å; L169-T178 HydrophobicContact CD1-CG2 3.95Å; L169-T178 WeakPolarHBondContact CD1-OG1 3.45Å; L169-L181 HydrophobicContact CD2-CD1 4.38Å
170	N	87.5	Confident	90.7	Very high	11 Å²	11	44.6 Å²	44.6	6%	0.059	22%	0.216	C	C	.	.			trans	-104.3	-2.4	-168.2	-100.1	-9.2	0	0	0	115	R115 G116 V168 Q462	R115-N170 VanDerWaalsContact CD-O 3.27Å; R115-N170 WeakPolarHBondContact CD-O 3.45Å; G116-N170 WeakPolarHBondContact CA-OD1 3.36Å; G116-N170 PolarHBondContact N-OD1 2.65Å; V168-N170 VanDerWaalsContact C-N 3.28Å; V168-N170 HydrophobicContact CG1-CB 4.2Å; V168-N170 VanDerWaalsContact CG1-CG 3.44Å; V168-N170 VanDerWaalsContact CG1-ND2 3.33Å; V168-N170 WeakPolarHBondContact CG1-ND2 3.4Å; V168-N170 PolarHBondContact O-N 2.68Å; N170-Q462 PolarHBondContact ND2-OE1 2.96Å
171	T	86.7	Confident	90.6	Very high	29 Å²	29	37.6 Å²	37.6	18%	0.178	18%	0.184	C	C	.	.	S	Bend	trans	-102.5	150.9	178.6	62.3	0	0	0	0	110.2	F173 S174 H361	T171-F173 PolarHBondContact O-N 3.42Å; T171-S174 PolarHBondContact N-OG 3.31Å; T171-S174 PolarHBondContact O-N 3.24Å; T171-S174 PolarHBondContact O-OG 3.17Å; T171-S174 VanDerWaalsContact OG1-CB 3.25Å; T171-S174 WeakPolarHBondContact OG1-CB 3.32Å; T171-S174 PolarHBondContact OG1-N 2.95Å; T171-S174 PolarHBondContact OG1-OG 3.39Å; T171-H361 WeakPolarHBondContact CG2-CE1 3.47Å; T171-H361 VanDerWaalsContact CG2-ND1 3.3Å; T171-H361 WeakPolarHBondContact CG2-ND1 3.46Å
172	L	87.5	Confident	90.5	Very high	14 Å²	14	34.1 Å²	34.1	7%	0.073	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-66.1	-27	172.3	-72.9	163.2	0	0	0	111.3	Y55 R115 S174 V175 D360 P382 E383	Y55-L172 HydrophobicContact CD1-CB 3.81Å; Y55-L172 HydrophobicContact CD1-CD1 3.53Å; Y55-L172 HydrophobicContact CD1-CG 4.25Å; Y55-L172 HydrophobicContact CD2-CB 3.65Å; Y55-L172 HydrophobicContact CD2-CD1 4.29Å; Y55-L172 HydrophobicContact CE1-CB 3.76Å; Y55-L172 HydrophobicContact CE1-CD1 4.22Å; Y55-L172 HydrophobicContact CE2-CB 3.59Å; Y55-L172 HydrophobicContact CG-CB 3.75Å; Y55-L172 HydrophobicContact CG-CD1 3.56Å; Y55-L172 HydrophobicContact CG-CG 4.29Å; R115-L172 HydrophobicContact CG-CD2 4.49Å; L172-S174 VanDerWaalsContact C-N 3.25Å; L172-S174 PolarHBondContact O-N 3.38Å; L172-V175 WeakPolarHBondContact O-CB 3.42Å; L172-V175 VanDerWaalsContact O-CG2 3.32Å; L172-V175 WeakPolarHBondContact O-CG2 3.46Å; L172-V175 PolarHBondContact O-N 2.91Å; L172-D360 HydrophobicContact CD1-CB 4.26Å; L172-P382 HydrophobicContact CD1-CG 3.91Å; L172-E383 WeakPolarHBondContact CD2-OE1 3.46Å
173	F	86.6	Confident	90.5	Very high	48 Å²	48	32 Å²	32	21%	0.211	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-63.9	-25.4	169.2	-67	-74.6	0	0	0	114.1	D54 Y55 Y60 Y65 T171 V175 P176 H225	D54-F173 HydrophobicContact CB-CE2 3.94Å; D54-F173 HydrophobicContact CB-CZ 3.82Å; Y55-F173 AromaticContact CD2-CD2 3.88Å; Y55-F173 HydrophobicContact CD2-CD2 3.88Å; Y55-F173 HydrophobicContact CD2-CE1 4.28Å; Y55-F173 AromaticContact CD2-CE2 3.5Å; Y55-F173 HydrophobicContact CD2-CE2 3.5Å; Y55-F173 VanDerWaalsContact CD2-CE2 3.5Å; Y55-F173 HydrophobicContact CD2-CG 4.42Å; Y55-F173 AromaticContact CD2-CZ 3.72Å; Y55-F173 HydrophobicContact CD2-CZ 3.72Å; Y55-F173 AromaticContact CE2-CD1 3.73Å; Y55-F173 HydrophobicContact CE2-CD1 3.73Å; Y55-F173 AromaticContact CE2-CD2 3.7Å; Y55-F173 HydrophobicContact CE2-CD2 3.7Å; Y55-F173 AromaticContact CE2-CE1 3.61Å; Y55-F173 HydrophobicContact CE2-CE1 3.61Å; Y55-F173 AromaticContact CE2-CE2 3.58Å; Y55-F173 HydrophobicContact CE2-CE2 3.58Å; Y55-F173 AromaticContact CE2-CG 3.78Å; Y55-F173 HydrophobicContact CE2-CG 3.78Å; Y55-F173 AromaticContact CE2-CZ 3.53Å; Y55-F173 HydrophobicContact CE2-CZ 3.53Å; Y60-F173 HydrophobicContact CE2-CE1 4.44Å; Y60-F173 HydrophobicContact CE2-CZ 4.12Å; Y65-F173 HydrophobicContact CE1-CD1 4.39Å; Y65-F173 AromaticContact CE1-CE1 3.94Å; Y65-F173 HydrophobicContact CE1-CE1 3.94Å; T171-F173 PolarHBondContact O-N 3.42Å; F173-V175 VanDerWaalsContact C-N 3.33Å; F173-P176 WeakPolarHBondContact O-CD 3.35Å; F173-H225 AromaticContact CD1-CD2 3.75Å; F173-H225 AromaticContact CD1-NE2 3.43Å; F173-H225 WeakPolarHBondContact CD1-NE2 3.36Å
174	S	84.5	Confident	90.8	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.014	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-84.5	-3.6	179.8	70.2	0	0	0	0	114.3	T171 L172 E177 T178	T171-S174 PolarHBondContact N-OG 3.31Å; T171-S174 PolarHBondContact O-N 3.24Å; T171-S174 PolarHBondContact O-OG 3.17Å; T171-S174 VanDerWaalsContact OG1-CB 3.25Å; T171-S174 WeakPolarHBondContact OG1-CB 3.32Å; T171-S174 PolarHBondContact OG1-N 2.95Å; T171-S174 PolarHBondContact OG1-OG 3.39Å; L172-S174 VanDerWaalsContact C-N 3.25Å; L172-S174 PolarHBondContact O-N 3.38Å; S174-E177 WeakPolarHBondContact O-CB 3.48Å; S174-E177 PolarHBondContact O-N 3.2Å; S174-T178 PolarHBondContact O-N 3.1Å; S174-T178 PolarHBondContact O-OG1 3.14Å
175	V	85.6	Confident	90.9	Very high	7 Å²	7	15.6 Å²	15.6	4%	0.042	8%	0.075	C	C	.	.	H	α-helix	trans	-58.1	-54.1	176.8	173.1	0	0	0	0	111.7	L113 L172 F173 E177 T178 Y179	L113-V175 HydrophobicContact CB-CG1 4.11Å; L113-V175 VanDerWaalsContact CD1-O 3.29Å; L113-V175 WeakPolarHBondContact CD1-O 3.48Å; L172-V175 WeakPolarHBondContact O-CB 3.42Å; L172-V175 VanDerWaalsContact O-CG2 3.32Å; L172-V175 WeakPolarHBondContact O-CG2 3.46Å; L172-V175 PolarHBondContact O-N 2.91Å; F173-V175 VanDerWaalsContact C-N 3.33Å; V175-E177 VanDerWaalsContact C-N 3.28Å; V175-E177 PolarHBondContact O-N 3.15Å; V175-T178 WeakPolarHBondContact O-CB 3.33Å; V175-T178 PolarHBondContact O-N 3.33Å; V175-Y179 PolarHBondContact O-N 3.44Å
176	P	88.2	Confident	90.8	Very high	12 Å²	12	14.6 Å²	14.6	8%	0.078	7%	0.074	C	C	.	.	H	α-helix	trans	-64.4	-32.5	175.8	24.9	-35.1	0	0	0	112.8	F70 Y91 F173 T178 Y179 L180	F70-P176 HydrophobicContact CB-CB 4.14Å; Y91-P176 HydrophobicContact CE2-CB 4.33Å; F173-P176 WeakPolarHBondContact O-CD 3.35Å; P176-T178 VanDerWaalsContact C-N 3.33Å; P176-T178 PolarHBondContact O-N 3.27Å; P176-Y179 PolarHBondContact O-N 2.96Å; P176-L180 WeakPolarHBondContact O-CB 3.39Å; P176-L180 PolarHBondContact O-N 2.9Å
177	E	91.3	Very high	90.7	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.019	8%	0.082	C	C	.	.	H	α-helix	trans	-62.3	-40.8	175.1	177.7	177.6	-159.7	0	0	111.6	L169 S174 V175 Y179 L180 L181 V217 R218 V221	L169-E177 HydrophobicContact CD2-CG 4.26Å; S174-E177 WeakPolarHBondContact O-CB 3.48Å; S174-E177 PolarHBondContact O-N 3.2Å; V175-E177 VanDerWaalsContact C-N 3.28Å; V175-E177 PolarHBondContact O-N 3.15Å; E177-Y179 VanDerWaalsContact C-N 3.27Å; E177-Y179 PolarHBondContact O-N 3.25Å; E177-L180 PolarHBondContact O-N 2.93Å; E177-L181 HydrophobicContact CG-CD1 4.06Å; E177-L181 HydrophobicContact CG-CG 4.37Å; E177-L181 WeakPolarHBondContact O-CG 3.46Å; E177-L181 PolarHBondContact O-N 3.18Å; E177-V217 HydrophobicContact CG-CG1 3.99Å; E177-R218 VanDerWaalsContact CD-CZ 3.48Å; E177-R218 IonicContact OE1-CZ 3.03Å; E177-R218 IonicContact OE1-NE 3.47Å; E177-R218 IonicContact OE1-NH1 3.93Å; E177-R218 PolarHBondContact OE1-NH1 3.05Å; E177-R218 IonicContact OE1-NH2 3.58Å; E177-R218 PolarHBondContact OE1-NH2 2.67Å; E177-R218 IonicContact OE2-CZ 3.21Å; E177-R218 IonicContact OE2-NH1 3.59Å; E177-R218 PolarHBondContact OE2-NH1 2.78Å; E177-R218 IonicContact OE2-NH2 3.56Å; E177-R218 PolarHBondContact OE2-NH2 2.85Å; E177-V221 HydrophobicContact CB-CG2 4.09Å; E177-V221 HydrophobicContact CG-CG2 3.99Å
178	T	90.7	Very high	90.6	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.012	7%	0.073	C	C	.	.	H	α-helix	trans	-58.8	-43.4	176.8	-55.7	0	0	0	0	110.5	L113 L117 L126 L169 S174 V175 P176 A182	L113-T178 HydrophobicContact CB-CG2 4.07Å; L113-T178 HydrophobicContact CD1-CG2 4.16Å; L113-T178 HydrophobicContact CD2-CG2 3.86Å; L113-T178 HydrophobicContact CG-CG2 4.24Å; L117-T178 HydrophobicContact CD1-CG2 4.03Å; L126-T178 HydrophobicContact CD1-CG2 3.99Å; L126-T178 HydrophobicContact CD2-CG2 3.99Å; L169-T178 HydrophobicContact CD1-CG2 3.95Å; L169-T178 WeakPolarHBondContact CD1-OG1 3.45Å; S174-T178 PolarHBondContact O-N 3.1Å; S174-T178 PolarHBondContact O-OG1 3.14Å; V175-T178 WeakPolarHBondContact O-CB 3.33Å; V175-T178 PolarHBondContact O-N 3.33Å; P176-T178 VanDerWaalsContact C-N 3.33Å; P176-T178 PolarHBondContact O-N 3.27Å; T178-A182 PolarHBondContact O-N 2.82Å
179	Y	90	Very high	90.7	Very high	26 Å²	26	14 Å²	14	10%	0.102	7%	0.071	C	C	.	.	H	α-helix	trans	-66.7	-42.6	178.6	-169.3	-118.2	0	0	0	110.8	F70 Q90 Y91 D92 L111 L113 F142 V175 P176 E177 A182 S183	F70-Y179 AromaticContact CD2-CD1 3.97Å; F70-Y179 HydrophobicContact CD2-CD1 3.97Å; F70-Y179 AromaticContact CE2-CD1 3.4Å; F70-Y179 HydrophobicContact CE2-CD1 3.4Å; F70-Y179 VanDerWaalsContact CE2-CD1 3.4Å; F70-Y179 AromaticContact CE2-CE1 3.98Å; F70-Y179 HydrophobicContact CE2-CE1 3.98Å; F70-Y179 HydrophobicContact CE2-CG 4.43Å; F70-Y179 AromaticContact CZ-CD1 3.81Å; F70-Y179 HydrophobicContact CZ-CD1 3.81Å; F70-Y179 AromaticContact CZ-CE1 3.89Å; F70-Y179 HydrophobicContact CZ-CE1 3.89Å; Q90-Y179 WeakPolarHBondContact O-CE1 3.33Å; Y91-Y179 AromaticContact CD2-CD1 3.69Å; Y91-Y179 HydrophobicContact CD2-CD1 3.69Å; Y91-Y179 HydrophobicContact CD2-CE1 4.37Å; Y91-Y179 HydrophobicContact CD2-CG 4.23Å; Y91-Y179 HydrophobicContact CE2-CD1 4.07Å; Y91-Y179 HydrophobicContact CE2-CG 4.14Å; D92-Y179 HydrophobicContact CB-CE2 4.5Å; D92-Y179 WeakPolarHBondContact CB-OH 3.18Å; L111-Y179 HydrophobicContact CD1-CE2 4.42Å; L113-Y179 VanDerWaalsContact CD1-CA 3.45Å; L113-Y179 HydrophobicContact CD1-CD2 4.13Å; L113-Y179 HydrophobicContact CD1-CG 4.13Å; F142-Y179 HydrophobicContact CE1-CD2 4.43Å; F142-Y179 AromaticContact CE1-CE2 3.88Å; F142-Y179 HydrophobicContact CE1-CE2 3.88Å; F142-Y179 HydrophobicContact CZ-CE2 4.07Å; V175-Y179 PolarHBondContact O-N 3.44Å; P176-Y179 PolarHBondContact O-N 2.96Å; E177-Y179 VanDerWaalsContact C-N 3.27Å; E177-Y179 PolarHBondContact O-N 3.25Å; Y179-A182 PolarHBondContact O-N 3.2Å; Y179-S183 WeakPolarHBondContact CE1-OG 3.15Å; Y179-S183 VanDerWaalsContact O-CB 3.3Å; Y179-S183 WeakPolarHBondContact O-CB 3.31Å; Y179-S183 PolarHBondContact O-N 3.17Å; Y179-S183 PolarHBondContact O-OG 2.73Å
180	L	92.6	Very high	90.7	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.016	10%	0.099	C	C	.	.	H	α-helix	trans	-63.1	-44.9	-179.6	179.3	62.3	0	0	0	111.5	F70 V73 I74 L77 P176 E177 A182 S183 L184 V217	F70-L180 HydrophobicContact CD2-CB 4.05Å; F70-L180 HydrophobicContact CD2-CD1 4.45Å; F70-L180 HydrophobicContact CE2-CB 3.85Å; F70-L180 HydrophobicContact CE2-CD1 3.86Å; F70-L180 HydrophobicContact CE2-CG 4.45Å; F70-L180 HydrophobicContact CZ-CD1 4.4Å; V73-L180 HydrophobicContact CB-CD2 3.96Å; V73-L180 HydrophobicContact CG1-CD2 3.25Å; I74-L180 HydrophobicContact CD1-CD1 4.06Å; I74-L180 HydrophobicContact CG1-CD1 3.66Å; L77-L180 HydrophobicContact CD1-CD1 4.43Å; L77-L180 HydrophobicContact CD1-CD2 4.05Å; P176-L180 WeakPolarHBondContact O-CB 3.39Å; P176-L180 PolarHBondContact O-N 2.9Å; E177-L180 PolarHBondContact O-N 2.93Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-A182 PolarHBondContact O-N 3.45Å; L180-S183 PolarHBondContact O-N 2.88Å; L180-L184 WeakPolarHBondContact O-CB 3.48Å; L180-L184 PolarHBondContact O-N 2.95Å; L180-V217 HydrophobicContact CD2-CG1 4Å
181	L	93.7	Very high	90.9	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-59.1	-46.6	175.8	-72.6	168	0	0	0	111.1	F119 L169 E177 L184 V185 Y214 V217	F119-L181 HydrophobicContact CB-CD1 4.34Å; F119-L181 HydrophobicContact CD1-CD1 4.29Å; F119-L181 HydrophobicContact CD2-CB 4.13Å; F119-L181 HydrophobicContact CD2-CD1 3.92Å; F119-L181 HydrophobicContact CD2-CG 4.47Å; F119-L181 HydrophobicContact CE1-CD2 4.25Å; F119-L181 HydrophobicContact CE2-CB 3.88Å; F119-L181 HydrophobicContact CE2-CD1 4.29Å; F119-L181 HydrophobicContact CE2-CD2 4.28Å; F119-L181 HydrophobicContact CE2-CG 4.38Å; F119-L181 HydrophobicContact CG-CD1 3.9Å; F119-L181 HydrophobicContact CZ-CB 4.46Å; F119-L181 HydrophobicContact CZ-CD2 4.04Å; L169-L181 HydrophobicContact CD2-CD1 4.38Å; E177-L181 HydrophobicContact CG-CD1 4.06Å; E177-L181 HydrophobicContact CG-CG 4.37Å; E177-L181 WeakPolarHBondContact O-CG 3.46Å; E177-L181 PolarHBondContact O-N 3.18Å; L181-L184 PolarHBondContact O-N 2.67Å; L181-V185 WeakPolarHBondContact O-CB 3.15Å; L181-V185 VanDerWaalsContact O-CG2 3.29Å; L181-V185 WeakPolarHBondContact O-CG2 3.43Å; L181-V185 PolarHBondContact O-N 3.33Å; L181-Y214 HydrophobicContact CD1-CD2 4.5Å; L181-Y214 HydrophobicContact CD2-CD2 4.32Å; L181-V217 HydrophobicContact CD2-CB 4Å; L181-V217 HydrophobicContact CD2-CG1 3.9Å; L181-V217 HydrophobicContact CD2-CG2 4.07Å; L181-V217 HydrophobicContact CG-CG1 4.18Å
182	A	92	Very high	91	Very high	7 Å²	7	24.1 Å²	24.1	6%	0.058	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-46.6	175.4	0	0	0	0	0	112.1	L126 G141 F142 T178 Y179 L180 L184 N186	L126-A182 HydrophobicContact CD1-CB 3.86Å; G141-A182 VanDerWaalsContact CA-O 3.25Å; G141-A182 WeakPolarHBondContact CA-O 3.46Å; F142-A182 HydrophobicContact CD1-CB 4.22Å; F142-A182 HydrophobicContact CE1-CB 3.92Å; T178-A182 PolarHBondContact O-N 2.82Å; Y179-A182 PolarHBondContact O-N 3.2Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-A182 PolarHBondContact O-N 3.45Å; A182-L184 VanDerWaalsContact C-N 3.33Å; A182-L184 PolarHBondContact O-N 2.85Å; A182-N186 VanDerWaalsContact O-CB 3.24Å; A182-N186 WeakPolarHBondContact O-CB 3.47Å; A182-N186 PolarHBondContact O-N 3.49Å
183	S	91.8	Very high	91	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.014	16%	0.157	C	C	.	.	H	α-helix	trans	-62.9	-40.8	-179.5	-58.5	0	0	0	0	111.7	F142 Y179 L180 N186 Y187	F142-S183 WeakPolarHBondContact CZ-OG 3.3Å; Y179-S183 WeakPolarHBondContact CE1-OG 3.15Å; Y179-S183 VanDerWaalsContact O-CB 3.3Å; Y179-S183 WeakPolarHBondContact O-CB 3.31Å; Y179-S183 PolarHBondContact O-N 3.17Å; Y179-S183 PolarHBondContact O-OG 2.73Å; L180-S183 PolarHBondContact O-N 2.88Å; S183-N186 PolarHBondContact O-N 3.48Å; S183-Y187 VanDerWaalsContact O-CB 3.23Å; S183-Y187 WeakPolarHBondContact O-CB 3.39Å; S183-Y187 PolarHBondContact O-N 2.8Å
184	L	94.1	Very high	91.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-74	-42.6	-177.5	-172.2	56	0	0	0	111.5	L77 Y82 L86 L180 L181 A182 N186 Y187 L188 V213 V217	L77-L184 HydrophobicContact CD1-CD2 4.35Å; Y82-L184 HydrophobicContact CD1-CD1 4.24Å; Y82-L184 HydrophobicContact CE1-CD1 4.35Å; Y82-L184 HydrophobicContact CE1-CD2 4.04Å; L86-L184 HydrophobicContact CD1-CD1 3.84Å; L86-L184 HydrophobicContact CD2-CD1 3.9Å; L180-L184 WeakPolarHBondContact O-CB 3.48Å; L180-L184 PolarHBondContact O-N 2.95Å; L181-L184 PolarHBondContact O-N 2.67Å; A182-L184 VanDerWaalsContact C-N 3.33Å; A182-L184 PolarHBondContact O-N 2.85Å; L184-N186 VanDerWaalsContact C-N 3.33Å; L184-N186 PolarHBondContact O-N 3.01Å; L184-Y187 HydrophobicContact CD1-CD1 4.46Å; L184-Y187 PolarHBondContact O-N 2.74Å; L184-L188 HydrophobicContact CD1-CD1 4.24Å; L184-L188 HydrophobicContact CD1-CG 4.18Å; L184-L188 HydrophobicContact CG-CD1 4.08Å; L184-L188 HydrophobicContact CG-CG 4.46Å; L184-L188 WeakPolarHBondContact O-CB 3.31Å; L184-L188 VanDerWaalsContact O-CG 3.22Å; L184-L188 WeakPolarHBondContact O-CG 3.24Å; L184-L188 PolarHBondContact O-N 3.05Å; L184-V213 HydrophobicContact CD2-CG1 3.37Å; L184-V213 HydrophobicContact CG-CG1 3.85Å; L184-V217 HydrophobicContact CD2-CG2 3.71Å
185	V	94.6	Very high	91.7	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-58.2	-48.9	170.8	169.8	0	0	0	0	110	F119 H140 L181 Y187 L188 D189 Y210	F119-V185 HydrophobicContact CZ-CG2 4.49Å; H140-V185 WeakPolarHBondContact NE2-CG1 3.34Å; L181-V185 WeakPolarHBondContact O-CB 3.15Å; L181-V185 VanDerWaalsContact O-CG2 3.29Å; L181-V185 WeakPolarHBondContact O-CG2 3.43Å; L181-V185 PolarHBondContact O-N 3.33Å; V185-Y187 VanDerWaalsContact C-N 3.35Å; V185-Y187 PolarHBondContact O-N 3.05Å; V185-L188 PolarHBondContact O-N 3.32Å; V185-D189 WeakPolarHBondContact O-CB 3.49Å; V185-D189 PolarHBondContact O-N 3.19Å; V185-Y210 HydrophobicContact CG1-CE1 4.03Å; V185-Y210 HydrophobicContact CG2-CD1 3.98Å; V185-Y210 HydrophobicContact CG2-CE1 4.25Å
186	N	93.7	Very high	92.1	Very high	42 Å²	42	39 Å²	39	23%	0.225	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-42.7	178	-175.8	85.2	0	0	0	112.4	F142 A182 S183 L184 N190	F142-N186 HydrophobicContact CD2-CB 3.75Å; F142-N186 HydrophobicContact CE2-CB 3.94Å; F142-N186 HydrophobicContact CG-CB 4.38Å; A182-N186 VanDerWaalsContact O-CB 3.24Å; A182-N186 WeakPolarHBondContact O-CB 3.47Å; A182-N186 PolarHBondContact O-N 3.49Å; S183-N186 PolarHBondContact O-N 3.48Å; L184-N186 VanDerWaalsContact C-N 3.33Å; L184-N186 PolarHBondContact O-N 3.01Å; N186-N190 WeakPolarHBondContact O-CB 3.48Å; N186-N190 PolarHBondContact O-N 3.48Å; N186-N190 PolarHBondContact O-ND2 3.25Å
187	Y	93.7	Very high	92.4	Very high	51 Å²	51	40.5 Å²	40.5	20%	0.2	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-50.3	177.6	172.1	-94.4	0	0	0	111.1	P83 E85 L86 S183 L184 V185 D189 N190 S191	P83-Y187 HydrophobicContact CG-CE1 4.26Å; E85-Y187 HydrophobicContact CB-CE2 4.06Å; E85-Y187 WeakPolarHBondContact CB-OH 3.33Å; L86-Y187 HydrophobicContact CD2-CD1 3.53Å; L86-Y187 HydrophobicContact CD2-CD2 4.09Å; L86-Y187 HydrophobicContact CD2-CE1 3.76Å; L86-Y187 HydrophobicContact CD2-CE2 4.28Å; L86-Y187 HydrophobicContact CD2-CG 3.71Å; L86-Y187 HydrophobicContact CG-CE1 4.46Å; S183-Y187 VanDerWaalsContact O-CB 3.23Å; S183-Y187 WeakPolarHBondContact O-CB 3.39Å; S183-Y187 PolarHBondContact O-N 2.8Å; L184-Y187 HydrophobicContact CD1-CD1 4.46Å; L184-Y187 PolarHBondContact O-N 2.74Å; V185-Y187 VanDerWaalsContact C-N 3.35Å; V185-Y187 PolarHBondContact O-N 3.05Å; Y187-D189 PolarHBondContact O-N 3.34Å; Y187-N190 PolarHBondContact O-N 3.43Å; Y187-S191 WeakPolarHBondContact CE1-OG 3.45Å; Y187-S191 WeakPolarHBondContact O-CB 3.04Å; Y187-S191 PolarHBondContact O-N 3.09Å; Y187-S191 PolarHBondContact O-OG 2.76Å
188	L	93.2	Very high	92.5	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-42	-176.9	-73	174.1	0	0	0	112.2	L184 V185 N190 S191 C194 I201 M208 V213	L184-L188 HydrophobicContact CD1-CD1 4.24Å; L184-L188 HydrophobicContact CD1-CG 4.18Å; L184-L188 HydrophobicContact CG-CD1 4.08Å; L184-L188 HydrophobicContact CG-CG 4.46Å; L184-L188 WeakPolarHBondContact O-CB 3.31Å; L184-L188 VanDerWaalsContact O-CG 3.22Å; L184-L188 WeakPolarHBondContact O-CG 3.24Å; L184-L188 PolarHBondContact O-N 3.05Å; V185-L188 PolarHBondContact O-N 3.32Å; L188-N190 VanDerWaalsContact C-N 3.3Å; L188-N190 PolarHBondContact O-N 3.06Å; L188-S191 PolarHBondContact O-N 3.43Å; L188-C194 VanDerWaalsContact O-CB 3.29Å; L188-C194 WeakPolarHBondContact O-CB 3.46Å; L188-I201 HydrophobicContact CB-CG1 4.25Å; L188-I201 HydrophobicContact CB-CG2 4.29Å; L188-M208 HydrophobicContact CD2-CE 4.42Å; L188-V213 HydrophobicContact CD1-CG1 4.19Å; L188-V213 HydrophobicContact CD1-CG2 3.75Å
189	D	94.4	Very high	92.8	Very high	23 Å²	23	47 Å²	47	12%	0.123	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-32.4	179.1	-92.2	11.2	0	0	0	113.9	H140 V185 Y187 R196 I201 Y210	H140-D189 IonicContact CD2-OD2 3.26Å; H140-D189 PolarHBondContact CD2-OD2 3.47Å; H140-D189 IonicContact NE2-OD2 3.94Å; H140-D189 PolarHBondContact NE2-OD2 3.2Å; V185-D189 WeakPolarHBondContact O-CB 3.49Å; V185-D189 PolarHBondContact O-N 3.19Å; Y187-D189 PolarHBondContact O-N 3.34Å; D189-R196 WeakPolarHBondContact OD2-CD 3.42Å; D189-R196 IonicContact OD2-CZ 3.95Å; D189-R196 IonicContact OD2-NE 3.69Å; D189-R196 PolarHBondContact OD2-NE 2.83Å; D189-R196 IonicContact OD2-NH1 3.69Å; D189-R196 IonicContact OD2-NH2 2.83Å; D189-I201 WeakPolarHBondContact OD1-CG2 3.4Å; D189-Y210 PolarHBondContact OD1-OH 3.42Å
190	N	92.3	Very high	93.1	Very high	110 Å²	110	45.8 Å²	45.8	59%	0.588	26%	0.256	S	S	*	.	H	α-helix	trans	-104.2	0.9	-175.3	-65.6	-72.7	0	0	0	113.1	N186 Y187 L188	N186-N190 WeakPolarHBondContact O-CB 3.48Å; N186-N190 PolarHBondContact O-N 3.48Å; N186-N190 PolarHBondContact O-ND2 3.25Å; Y187-N190 PolarHBondContact O-N 3.43Å; L188-N190 VanDerWaalsContact C-N 3.3Å; L188-N190 PolarHBondContact O-N 3.06Å
191	S	90.9	Very high	93.3	Very high	16 Å²	16	45.7 Å²	45.7	11%	0.112	26%	0.256	C	S	.	.	S	Bend	trans	-69.5	136.9	-179.7	-76.6	0	0	0	0	111.3	Y187 L188 G193 C194	Y187-S191 WeakPolarHBondContact CE1-OG 3.45Å; Y187-S191 WeakPolarHBondContact O-CB 3.04Å; Y187-S191 PolarHBondContact O-N 3.09Å; Y187-S191 PolarHBondContact O-OG 2.76Å; L188-S191 PolarHBondContact O-N 3.43Å; S191-G193 PolarHBondContact O-N 3.22Å; S191-C194 WeakPolarHBondContact O-CB 3.43Å; S191-C194 PolarHBondContact O-N 3.05Å; S191-C194 VanDerWaalsContact O-N 3.12Å
192	P	89	Confident	93.5	Very high	126 Å²	126	48 Å²	48	82%	0.818	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	132.4	176.8	-25	33.9	0	0	0	112.3	C194	P192-C194 VanDerWaalsContact C-N 3.27Å; P192-C194 PolarHBondContact O-N 2.91Å
193	G	88.7	Confident	93.4	Very high	58 Å²	58	51.3 Å²	51.3	60%	0.598	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	-15.1	-179.4	0	0	0	0	0	114.7	S191	S191-G193 PolarHBondContact O-N 3.22Å
194	C	90.9	Very high	93.3	Very high	23 Å²	23	54.5 Å²	54.5	16%	0.155	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	133.6	174.1	-65.2	0	0	0	0	111	L188 S191 P192 I201 T202	L188-C194 VanDerWaalsContact O-CB 3.29Å; L188-C194 WeakPolarHBondContact O-CB 3.46Å; S191-C194 WeakPolarHBondContact O-CB 3.43Å; S191-C194 PolarHBondContact O-N 3.05Å; S191-C194 VanDerWaalsContact O-N 3.12Å; P192-C194 VanDerWaalsContact C-N 3.27Å; P192-C194 PolarHBondContact O-N 2.91Å; C194-I201 HydrophobicContact CB-CB 4.45Å; C194-I201 HydrophobicContact CB-CD1 4.44Å; C194-T202 CarbonylContact C-O 3.57Å; C194-T202 WeakPolarHBondContact CA-O 3.17Å
195	K	94.3	Very high	93.2	Very high	161 Å²	161	62.5 Å²	62.5	70%	0.7	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.1	169.2	-66	-178.3	-176.4	175.3	0	108.9	I201 T202	K195-I201 WeakPolarHBondContact O-CA 3.29Å; K195-T202 PolarHBondContact N-O 2.74Å; K195-T202 PolarHBondContact O-N 2.67Å
196	R	94	Very high	93.1	Very high	142 Å²	142	66.8 Å²	66.8	54%	0.536	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	136.3	176.2	-175.3	-176.5	-176.2	-162	-6.8	111.5	H140 D189	H140-R196 PolarHBondContact CD2-NH2 2.99Å; H140-R196 PolarHBondContact NE2-NE 3.33Å; H140-R196 PolarHBondContact NE2-NH2 3.34Å; D189-R196 WeakPolarHBondContact OD2-CD 3.42Å; D189-R196 IonicContact OD2-CZ 3.95Å; D189-R196 IonicContact OD2-NE 3.69Å; D189-R196 PolarHBondContact OD2-NE 2.83Å; D189-R196 IonicContact OD2-NH1 3.69Å; D189-R196 IonicContact OD2-NH2 2.83Å
197	S	93.6	Very high	93.2	Very high	42 Å²	42	69.7 Å²	69.7	29%	0.294	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	173.2	167.6	72.5	0	0	0	0	109.6	T199 G200	S197-T199 PolarHBondContact O-N 3.26Å; S197-G200 CarbonylContact C-O 3.48Å; S197-G200 WeakPolarHBondContact CA-O 3.37Å; S197-G200 PolarHBondContact N-O 3.08Å; S197-G200 VanDerWaalsContact O-O 3.12Å; S197-G200 VanDerWaalsContact OG-C 3.32Å; S197-G200 PolarHBondContact OG-N 3.2Å; S197-G200 PolarHBondContact OG-O 3.34Å
198	T	94.7	Very high	93.2	Very high	88 Å²	88	68.9 Å²	68.9	54%	0.54	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.9	-179.6	-46.1	0	0	0	0	113.1	Y123 L153	Y123-T198 HydrophobicContact CD1-CG2 3.76Å; Y123-T198 WeakPolarHBondContact CD1-O 3.03Å; Y123-T198 HydrophobicContact CE1-CG2 3.79Å; L153-T198 HydrophobicContact CD2-CG2 3.6Å
199	T	97.2	Very high	93.4	Very high	55 Å²	55	69.9 Å²	69.9	34%	0.337	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	5.9	-172.3	55.6	0	0	0	0	114.5	I122 Y123 S197 S209 Y210	I122-T199 HydrophobicContact CG2-CG2 3.95Å; I122-T199 VanDerWaalsContact O-CA 3.27Å; I122-T199 WeakPolarHBondContact O-CA 3.36Å; Y123-T199 HydrophobicContact CD1-CG2 4.2Å; Y123-T199 HydrophobicContact CE1-CG2 4.22Å; S197-T199 PolarHBondContact O-N 3.26Å; T199-S209 CarbonylContact O-C 3.53Å; T199-S209 VanDerWaalsContact O-CA 3.32Å; T199-S209 WeakPolarHBondContact O-CA 3.33Å; T199-Y210 VanDerWaalsContact C-CE2 3.46Å; T199-Y210 WeakPolarHBondContact O-CD2 3.39Å; T199-Y210 PolarHBondContact O-N 3.35Å
200	G	96.7	Very high	93.6	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.6	-157.4	179.7	0	0	0	0	0	112.8	S197 M208	S197-G200 CarbonylContact C-O 3.48Å; S197-G200 WeakPolarHBondContact CA-O 3.37Å; S197-G200 PolarHBondContact N-O 3.08Å; S197-G200 VanDerWaalsContact O-O 3.12Å; S197-G200 VanDerWaalsContact OG-C 3.32Å; S197-G200 PolarHBondContact OG-N 3.2Å; S197-G200 PolarHBondContact OG-O 3.34Å; G200-M208 CarbonylContact C-O 3.56Å; G200-M208 WeakPolarHBondContact CA-O 3.38Å
201	I	96.4	Very high	93.8	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.6	179.2	63.2	96.5	0	0	0	111.2	L188 D189 C194 K195 L203 F207 M208	L188-I201 HydrophobicContact CB-CG1 4.25Å; L188-I201 HydrophobicContact CB-CG2 4.29Å; D189-I201 WeakPolarHBondContact OD1-CG2 3.4Å; C194-I201 HydrophobicContact CB-CB 4.45Å; C194-I201 HydrophobicContact CB-CD1 4.44Å; K195-I201 WeakPolarHBondContact O-CA 3.29Å; I201-L203 HydrophobicContact CD1-CB 4.36Å; I201-F207 VanDerWaalsContact O-CD2 3.32Å; I201-F207 WeakPolarHBondContact O-CD2 3.05Å; I201-M208 HydrophobicContact CD1-CB 4.04Å; I201-M208 HydrophobicContact CD1-CG 4.33Å; I201-M208 HydrophobicContact CD1-SD 4.17Å; I201-M208 HydrophobicContact CG1-CB 4.05Å; I201-M208 PolarHBondContact N-O 2.91Å; I201-M208 PolarHBondContact O-N 3.42Å
202	T	96.4	Very high	94.1	Very high	50 Å²	50	67.7 Å²	67.7	31%	0.307	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.7	170.3	-55.4	0	0	0	0	109.9	C194 K195 G204 L206	C194-T202 CarbonylContact C-O 3.57Å; C194-T202 WeakPolarHBondContact CA-O 3.17Å; K195-T202 PolarHBondContact N-O 2.74Å; K195-T202 PolarHBondContact O-N 2.67Å; T202-G204 WeakPolarHBondContact CG2-O 3.28Å; T202-L206 CarbonylContact C-O 3.54Å; T202-L206 VanDerWaalsContact CA-O 3.32Å; T202-L206 WeakPolarHBondContact CA-O 3.47Å
203	L	91.2	Very high	94.4	Very high	77 Å²	77	61.9 Å²	61.9	40%	0.403	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	102.6	174.7	177.9	61.9	0	0	0	108.7	I201 D205 L206	I201-L203 HydrophobicContact CD1-CB 4.36Å; L203-D205 PolarHBondContact O-N 2.97Å; L203-L206 PolarHBondContact N-O 2.79Å; L203-L206 WeakPolarHBondContact O-CB 3.31Å; L203-L206 PolarHBondContact O-N 3.1Å
204	G	90.3	Very high	94.8	Very high	69 Å²	69	60.4 Å²	60.4	71%	0.711	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-119.7	-171.6	0	0	0	0	0	111.5	T202	T202-G204 WeakPolarHBondContact CG2-O 3.28Å
205	D	90.9	Very high	95.1	Very high	169 Å²	169	63.2 Å²	63.2	90%	0.904	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-1.7	174.4	60	-22	0	0	0	113.7	L203	L203-D205 PolarHBondContact O-N 2.97Å
206	L	92	Very high	95.2	Very high	91 Å²	91	57.7 Å²	57.7	48%	0.476	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.1	176.8	179.8	65.5	0	0	0	111.1	T202 L203 M208	T202-L206 CarbonylContact C-O 3.54Å; T202-L206 VanDerWaalsContact CA-O 3.32Å; T202-L206 WeakPolarHBondContact CA-O 3.47Å; L203-L206 PolarHBondContact N-O 2.79Å; L203-L206 WeakPolarHBondContact O-CB 3.31Å; L203-L206 PolarHBondContact O-N 3.1Å; L206-M208 HydrophobicContact CD2-CG 4.03Å; L206-M208 HydrophobicContact CD2-SD 4.01Å; L206-M208 HydrophobicContact CG-CG 4.02Å
207	F	95.5	Very high	95.3	Very high	103 Å²	103	50.9 Å²	50.9	45%	0.452	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.6	167.1	176.4	-111	0	0	0	110.3	I201	I201-F207 VanDerWaalsContact O-CD2 3.32Å; I201-F207 WeakPolarHBondContact O-CD2 3.05Å
208	M	94.8	Very high	95.4	Very high	35 Å²	35	50.5 Å²	50.5	17%	0.172	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	107.8	174.5	-63.6	177.7	67	0	0	109.1	Y82 L188 G200 I201 L206 V213	Y82-M208 HydrophobicContact CE1-CE 3.86Å; L188-M208 HydrophobicContact CD2-CE 4.42Å; G200-M208 CarbonylContact C-O 3.56Å; G200-M208 WeakPolarHBondContact CA-O 3.38Å; I201-M208 HydrophobicContact CD1-CB 4.04Å; I201-M208 HydrophobicContact CD1-CG 4.33Å; I201-M208 HydrophobicContact CD1-SD 4.17Å; I201-M208 HydrophobicContact CG1-CB 4.05Å; I201-M208 PolarHBondContact N-O 2.91Å; I201-M208 PolarHBondContact O-N 3.42Å; L206-M208 HydrophobicContact CD2-CG 4.03Å; L206-M208 HydrophobicContact CD2-SD 4.01Å; L206-M208 HydrophobicContact CG-CG 4.02Å; M208-V213 HydrophobicContact CB-CG2 4.49Å; M208-V213 HydrophobicContact CE-CG2 4.03Å
209	S	97.7	Very high	95.4	Very high	29 Å²	29	52.6 Å²	52.6	20%	0.203	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	150.3	174.2	69.9	0	0	0	0	111.2	T199 H211 S212 V213	T199-S209 CarbonylContact O-C 3.53Å; T199-S209 VanDerWaalsContact O-CA 3.32Å; T199-S209 WeakPolarHBondContact O-CA 3.33Å; S209-H211 PolarHBondContact O-N 3.45Å; S209-S212 PolarHBondContact N-OG 2.97Å; S209-S212 PolarHBondContact O-N 3.07Å; S209-S212 PolarHBondContact O-OG 2.8Å; S209-S212 WeakPolarHBondContact OG-CB 3.17Å; S209-S212 PolarHBondContact OG-N 3.22Å; S209-S212 PolarHBondContact OG-OG 2.82Å; S209-V213 WeakPolarHBondContact O-CG2 3.3Å; S209-V213 PolarHBondContact O-N 2.99Å; S209-V213 VanDerWaalsContact O-N 3.07Å
210	Y	98	Very high	95.4	Very high	1 Å²	1	50 Å²	50	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-26.5	170.8	-59.1	-56.5	0	0	0	112.1	N121 Y123 H140 V185 D189 T199 Y214	N121-Y210 CarbonylContact O-C 3.56Å; Y123-Y210 WeakPolarHBondContact O-CD2 3.45Å; Y123-Y210 WeakPolarHBondContact O-CE2 3.4Å; H140-Y210 AromaticContact CE1-CE2 3.72Å; H140-Y210 AromaticContact CE1-CZ 3.51Å; H140-Y210 PolarHBondContact CE1-OH 3.29Å; H140-Y210 AromaticContact NE2-CZ 3.77Å; H140-Y210 PolarHBondContact NE2-OH 3.48Å; V185-Y210 HydrophobicContact CG1-CE1 4.03Å; V185-Y210 HydrophobicContact CG2-CD1 3.98Å; V185-Y210 HydrophobicContact CG2-CE1 4.25Å; D189-Y210 PolarHBondContact OD1-OH 3.42Å; T199-Y210 VanDerWaalsContact C-CE2 3.46Å; T199-Y210 WeakPolarHBondContact O-CD2 3.39Å; T199-Y210 PolarHBondContact O-N 3.35Å; Y210-Y214 VanDerWaalsContact O-CB 3.31Å; Y210-Y214 WeakPolarHBondContact O-CB 3.22Å; Y210-Y214 PolarHBondContact O-N 3.09Å
211	H	97.4	Very high	95.3	Very high	64 Å²	64	50.4 Å²	50.4	30%	0.296	27%	0.272	S	S	.	.	H	α-helix	trans	-65.1	-50.6	176.2	-175.5	88.7	0	0	0	111.5	N121 S209 V213 Y214 Q215	N121-H211 PolarHBondContact ND2-ND1 2.9Å; N121-H211 WeakPolarHBondContact O-CA 3.4Å; N121-H211 WeakPolarHBondContact O-CB 3.48Å; N121-H211 PolarHBondContact O-N 2.92Å; N121-H211 PolarHBondContact OD1-ND1 2.91Å; S209-H211 PolarHBondContact O-N 3.45Å; H211-V213 VanDerWaalsContact C-N 3.33Å; H211-V213 PolarHBondContact O-N 3.42Å; H211-Y214 PolarHBondContact O-N 2.81Å; H211-Q215 PolarHBondContact NE2-NE2 3.03Å; H211-Q215 VanDerWaalsContact NE2-NE2 3.11Å; H211-Q215 WeakPolarHBondContact O-CG 3.5Å; H211-Q215 PolarHBondContact O-N 2.99Å
212	S	96.3	Very high	95.1	Very high	37 Å²	37	53.6 Å²	53.6	26%	0.259	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-40.4	177.1	53	0	0	0	0	111.5	S209 Y214 Q215 D216	S209-S212 PolarHBondContact N-OG 2.97Å; S209-S212 PolarHBondContact O-N 3.07Å; S209-S212 PolarHBondContact O-OG 2.8Å; S209-S212 WeakPolarHBondContact OG-CB 3.17Å; S209-S212 PolarHBondContact OG-N 3.22Å; S209-S212 PolarHBondContact OG-OG 2.82Å; S212-Y214 VanDerWaalsContact C-N 3.35Å; S212-Y214 PolarHBondContact O-N 2.85Å; S212-Q215 PolarHBondContact O-N 3.1Å; S212-D216 PolarHBondContact O-N 3.46Å
213	V	96	Very high	95.1	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.024	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-45	175.4	173.5	0	0	0	0	111.3	L184 L188 M208 S209 H211 Q215 D216 V217	L184-V213 HydrophobicContact CD2-CG1 3.37Å; L184-V213 HydrophobicContact CG-CG1 3.85Å; L188-V213 HydrophobicContact CD1-CG1 4.19Å; L188-V213 HydrophobicContact CD1-CG2 3.75Å; M208-V213 HydrophobicContact CB-CG2 4.49Å; M208-V213 HydrophobicContact CE-CG2 4.03Å; S209-V213 WeakPolarHBondContact O-CG2 3.3Å; S209-V213 PolarHBondContact O-N 2.99Å; S209-V213 VanDerWaalsContact O-N 3.07Å; H211-V213 VanDerWaalsContact C-N 3.33Å; H211-V213 PolarHBondContact O-N 3.42Å; V213-Q215 PolarHBondContact O-N 3.33Å; V213-D216 PolarHBondContact O-N 3.16Å; V213-V217 WeakPolarHBondContact O-CG2 3.3Å; V213-V217 PolarHBondContact O-N 2.92Å
214	Y	96.6	Very high	95.2	Very high	28 Å²	28	52.7 Å²	52.7	11%	0.11	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-41.9	174.8	159.5	-99.7	0	0	0	112.7	F119 N121 Y167 L181 Y210 H211 S212 D216 V217 R218	F119-Y214 AromaticContact CD1-CD2 3.77Å; F119-Y214 HydrophobicContact CD1-CD2 3.77Å; F119-Y214 HydrophobicContact CD1-CG 4.12Å; F119-Y214 HydrophobicContact CE1-CD2 4.05Å; F119-Y214 HydrophobicContact CE1-CG 4.06Å; N121-Y214 HydrophobicContact CB-CD1 3.83Å; N121-Y214 HydrophobicContact CB-CG 4.03Å; Y167-Y214 WeakPolarHBondContact CB-OH 3.13Å; Y167-Y214 HydrophobicContact CD1-CE2 4.36Å; Y167-Y214 HydrophobicContact CD2-CE2 4.35Å; Y167-Y214 WeakPolarHBondContact CD2-OH 3.27Å; Y167-Y214 AromaticContact CG-CE2 3.83Å; Y167-Y214 HydrophobicContact CG-CE2 3.83Å; Y167-Y214 AromaticContact CG-CZ 3.92Å; Y167-Y214 VanDerWaalsContact CG-OH 3.31Å; L181-Y214 HydrophobicContact CD1-CD2 4.5Å; L181-Y214 HydrophobicContact CD2-CD2 4.32Å; Y210-Y214 VanDerWaalsContact O-CB 3.31Å; Y210-Y214 WeakPolarHBondContact O-CB 3.22Å; Y210-Y214 PolarHBondContact O-N 3.09Å; H211-Y214 PolarHBondContact O-N 2.81Å; S212-Y214 VanDerWaalsContact C-N 3.35Å; S212-Y214 PolarHBondContact O-N 2.85Å; Y214-D216 VanDerWaalsContact C-N 3.32Å; Y214-D216 PolarHBondContact O-N 3.13Å; Y214-V217 PolarHBondContact O-N 2.88Å; Y214-R218 WeakPolarHBondContact O-CB 3.49Å; Y214-R218 PolarHBondContact O-N 2.85Å
215	Q	96.8	Very high	95.2	Very high	82 Å²	82	50.9 Å²	50.9	38%	0.383	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-40.7	177	-73.8	-179.3	-33.7	0	0	111.9	H211 S212 V213 R218 K219	H211-Q215 PolarHBondContact NE2-NE2 3.03Å; H211-Q215 VanDerWaalsContact NE2-NE2 3.11Å; H211-Q215 WeakPolarHBondContact O-CG 3.5Å; H211-Q215 PolarHBondContact O-N 2.99Å; S212-Q215 PolarHBondContact O-N 3.1Å; V213-Q215 PolarHBondContact O-N 3.33Å; Q215-R218 PolarHBondContact O-N 3.33Å; Q215-K219 WeakPolarHBondContact O-CB 3.34Å; Q215-K219 VanDerWaalsContact O-CG 3.27Å; Q215-K219 WeakPolarHBondContact O-CG 3.43Å; Q215-K219 PolarHBondContact O-N 2.81Å
216	D	97.6	Very high	94.9	Very high	44 Å²	44	50 Å²	50	24%	0.235	23%	0.233	C	C	.	.	H	α-helix	trans	-67.2	-44.6	177.1	-67.6	-20.4	0	0	0	111.4	L77 I80 Y82 S212 V213 Y214 R218 K219 A220	L77-D216 HydrophobicContact CD2-CB 4.24Å; I80-D216 HydrophobicContact CD1-CB 4.27Å; Y82-D216 HydrophobicContact CE2-CB 3.94Å; Y82-D216 WeakPolarHBondContact CE2-OD2 3.32Å; Y82-D216 WeakPolarHBondContact OH-CB 3.49Å; Y82-D216 PolarHBondContact OH-OD2 3.09Å; S212-D216 PolarHBondContact O-N 3.46Å; V213-D216 PolarHBondContact O-N 3.16Å; Y214-D216 VanDerWaalsContact C-N 3.32Å; Y214-D216 PolarHBondContact O-N 3.13Å; D216-R218 VanDerWaalsContact C-N 3.34Å; D216-R218 PolarHBondContact O-N 3.49Å; D216-K219 PolarHBondContact O-N 3.5Å; D216-A220 VanDerWaalsContact O-CB 3.27Å; D216-A220 WeakPolarHBondContact O-CB 3.42Å; D216-A220 PolarHBondContact O-N 3.11Å
217	V	96.3	Very high	94.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.2	-45.7	174.5	171.8	0	0	0	0	110.9	L77 E177 L180 L181 L184 V213 Y214 K219 A220 V221	L77-V217 HydrophobicContact CD1-CG2 4.15Å; L77-V217 HydrophobicContact CD2-CG2 4.42Å; E177-V217 HydrophobicContact CG-CG1 3.99Å; L180-V217 HydrophobicContact CD2-CG1 4Å; L181-V217 HydrophobicContact CD2-CB 4Å; L181-V217 HydrophobicContact CD2-CG1 3.9Å; L181-V217 HydrophobicContact CD2-CG2 4.07Å; L181-V217 HydrophobicContact CG-CG1 4.18Å; L184-V217 HydrophobicContact CD2-CG2 3.71Å; V213-V217 WeakPolarHBondContact O-CG2 3.3Å; V213-V217 PolarHBondContact O-N 2.92Å; Y214-V217 PolarHBondContact O-N 2.88Å; V217-K219 PolarHBondContact O-N 2.83Å; V217-A220 WeakPolarHBondContact O-CB 3.43Å; V217-A220 PolarHBondContact O-N 3.1Å; V217-V221 HydrophobicContact CG1-CG2 4.26Å; V217-V221 WeakPolarHBondContact O-CB 3.32Å; V217-V221 VanDerWaalsContact O-CG2 3.28Å; V217-V221 WeakPolarHBondContact O-CG2 3.31Å; V217-V221 PolarHBondContact O-N 2.63Å
218	R	94.7	Very high	94.3	Very high	34 Å²	34	48.7 Å²	48.7	13%	0.128	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-49.6	178.4	178.5	58.4	59.8	-159.6	-14	111.4	Y167 E177 Y214 Q215 D216 A220 V221 D222	Y167-R218 VanDerWaalsContact CE2-CZ 3.46Å; Y167-R218 VanDerWaalsContact CZ-NH1 3.31Å; Y167-R218 PolarHBondContact OH-NH1 3.44Å; E177-R218 VanDerWaalsContact CD-CZ 3.48Å; E177-R218 IonicContact OE1-CZ 3.03Å; E177-R218 IonicContact OE1-NE 3.47Å; E177-R218 IonicContact OE1-NH1 3.93Å; E177-R218 PolarHBondContact OE1-NH1 3.05Å; E177-R218 IonicContact OE1-NH2 3.58Å; E177-R218 PolarHBondContact OE1-NH2 2.67Å; E177-R218 IonicContact OE2-CZ 3.21Å; E177-R218 IonicContact OE2-NH1 3.59Å; E177-R218 PolarHBondContact OE2-NH1 2.78Å; E177-R218 IonicContact OE2-NH2 3.56Å; E177-R218 PolarHBondContact OE2-NH2 2.85Å; Y214-R218 WeakPolarHBondContact O-CB 3.49Å; Y214-R218 PolarHBondContact O-N 2.85Å; Q215-R218 PolarHBondContact O-N 3.33Å; D216-R218 VanDerWaalsContact C-N 3.34Å; D216-R218 PolarHBondContact O-N 3.49Å; R218-A220 VanDerWaalsContact C-N 3.28Å; R218-A220 PolarHBondContact O-N 3.43Å; R218-V221 PolarHBondContact O-N 2.82Å; R218-D222 PolarHBondContact O-N 3.23Å
219	K	95.7	Very high	94.2	Very high	131 Å²	131	49.7 Å²	49.7	57%	0.57	24%	0.243	S	C	*	.	H	α-helix	trans	-60.5	-39.3	177.1	-72.4	170.6	-173.6	169.4	0	111.6	Q215 D216 V217 D222 Y223	Q215-K219 WeakPolarHBondContact O-CB 3.34Å; Q215-K219 VanDerWaalsContact O-CG 3.27Å; Q215-K219 WeakPolarHBondContact O-CG 3.43Å; Q215-K219 PolarHBondContact O-N 2.81Å; D216-K219 PolarHBondContact O-N 3.5Å; V217-K219 PolarHBondContact O-N 2.83Å; K219-D222 PolarHBondContact O-N 2.72Å; K219-Y223 VanDerWaalsContact O-CB 3.28Å; K219-Y223 WeakPolarHBondContact O-CB 3.25Å; K219-Y223 PolarHBondContact O-N 2.88Å
220	A	96.4	Very high	94	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-43.5	177.6	0	0	0	0	0	112	V73 H76 L77 D216 V217 R218 Y223 V224	V73-A220 HydrophobicContact CG1-CB 3.79Å; H76-A220 HydrophobicContact CB-CB 4.47Å; L77-A220 HydrophobicContact CD2-CB 3.9Å; L77-A220 HydrophobicContact CG-CB 4.12Å; D216-A220 VanDerWaalsContact O-CB 3.27Å; D216-A220 WeakPolarHBondContact O-CB 3.42Å; D216-A220 PolarHBondContact O-N 3.11Å; V217-A220 WeakPolarHBondContact O-CB 3.43Å; V217-A220 PolarHBondContact O-N 3.1Å; R218-A220 VanDerWaalsContact C-N 3.28Å; R218-A220 PolarHBondContact O-N 3.43Å; A220-Y223 PolarHBondContact O-N 2.75Å; A220-V224 WeakPolarHBondContact O-CB 3.41Å; A220-V224 VanDerWaalsContact O-CG2 3.28Å; A220-V224 WeakPolarHBondContact O-CG2 3.31Å; A220-V224 PolarHBondContact O-N 3.37Å
221	V	94.6	Very high	93.8	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.055	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-48.8	174.3	169.6	0	0	0	0	110.3	V73 E177 V217 R218 Y223 V224 H225	V73-V221 HydrophobicContact CG1-CG2 4.02Å; V73-V221 HydrophobicContact CG2-CG2 3.93Å; E177-V221 HydrophobicContact CB-CG2 4.09Å; E177-V221 HydrophobicContact CG-CG2 3.99Å; V217-V221 HydrophobicContact CG1-CG2 4.26Å; V217-V221 WeakPolarHBondContact O-CB 3.32Å; V217-V221 VanDerWaalsContact O-CG2 3.28Å; V217-V221 WeakPolarHBondContact O-CG2 3.31Å; V217-V221 PolarHBondContact O-N 2.63Å; R218-V221 PolarHBondContact O-N 2.82Å; V221-Y223 PolarHBondContact O-N 3.01Å; V221-V224 PolarHBondContact O-N 3.36Å; V221-H225 PolarHBondContact O-N 3.36Å; V221-H225 VanDerWaalsContact O-N 3.08Å; V221-H225 PolarHBondContact O-ND1 3.01Å
222	D	92.9	Very high	93.8	Very high	67 Å²	67	54.4 Å²	54.4	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-46.1	177.9	-70.2	-23	0	0	0	110.9	R218 K219 V224 H225 Y226	R218-D222 PolarHBondContact O-N 3.23Å; K219-D222 PolarHBondContact O-N 2.72Å; D222-V224 VanDerWaalsContact C-N 3.34Å; D222-V224 PolarHBondContact O-N 3.36Å; D222-H225 PolarHBondContact O-N 2.93Å; D222-Y226 HydrophobicContact CB-CD2 4.15Å; D222-Y226 HydrophobicContact CB-CE2 4.34Å; D222-Y226 WeakPolarHBondContact O-CB 3.43Å; D222-Y226 WeakPolarHBondContact O-CD2 3.45Å; D222-Y226 PolarHBondContact O-N 3.26Å
223	Y	95.4	Very high	93.8	Very high	103 Å²	103	54.3 Å²	54.3	40%	0.404	26%	0.255	S	S	.	.	H	α-helix	trans	-54.8	-49.6	175.5	178	-91.3	0	0	0	111.3	H76 K219 A220 V221 H225 Y226 H227 G228	H76-Y223 AromaticContact CE1-CD1 3.43Å; H76-Y223 VanDerWaalsContact CE1-CD1 3.43Å; H76-Y223 WeakPolarHBondContact CE1-CD1 3.25Å; H76-Y223 AromaticContact CE1-CD2 3.93Å; H76-Y223 AromaticContact CE1-CE1 3.68Å; H76-Y223 AromaticContact CE1-CG 3.57Å; H76-Y223 AromaticContact CG-CD1 3.82Å; H76-Y223 AromaticContact ND1-CD1 3.34Å; H76-Y223 VanDerWaalsContact ND1-CD1 3.34Å; H76-Y223 WeakPolarHBondContact ND1-CD1 3.41Å; H76-Y223 AromaticContact ND1-CE1 3.45Å; H76-Y223 WeakPolarHBondContact ND1-CE1 3.4Å; H76-Y223 AromaticContact ND1-CG 3.97Å; H76-Y223 AromaticContact NE2-CD1 3.95Å; H76-Y223 AromaticContact NE2-CG 3.81Å; K219-Y223 VanDerWaalsContact O-CB 3.28Å; K219-Y223 WeakPolarHBondContact O-CB 3.25Å; K219-Y223 PolarHBondContact O-N 2.88Å; A220-Y223 PolarHBondContact O-N 2.75Å; V221-Y223 PolarHBondContact O-N 3.01Å; Y223-H225 VanDerWaalsContact C-N 3.3Å; Y223-H225 PolarHBondContact O-N 3.19Å; Y223-Y226 PolarHBondContact O-N 2.91Å; Y223-H227 HydrophobicContact CD2-CB 3.85Å; Y223-H227 HydrophobicContact CE2-CB 3.82Å; Y223-H227 HydrophobicContact CG-CB 4.45Å; Y223-H227 CarbonylContact O-C 3.59Å; Y223-H227 WeakPolarHBondContact O-CA 3.32Å; Y223-H227 PolarHBondContact O-N 3.04Å; Y223-G228 PolarHBondContact O-N 3.41Å
224	V	93.8	Very high	93.9	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-37	-178.9	169.2	0	0	0	0	112.3	L72 V73 H76 A220 V221 D222 M230	L72-V224 HydrophobicContact CB-CG1 3.78Å; L72-V224 HydrophobicContact CB-CG2 4.04Å; L72-V224 HydrophobicContact CD1-CG1 4.1Å; V73-V224 HydrophobicContact CG2-CB 4.15Å; V73-V224 HydrophobicContact CG2-CG1 4.36Å; V73-V224 HydrophobicContact CG2-CG2 3.91Å; H76-V224 HydrophobicContact CB-CG2 4.48Å; A220-V224 WeakPolarHBondContact O-CB 3.41Å; A220-V224 VanDerWaalsContact O-CG2 3.28Å; A220-V224 WeakPolarHBondContact O-CG2 3.31Å; A220-V224 PolarHBondContact O-N 3.37Å; V221-V224 PolarHBondContact O-N 3.36Å; D222-V224 VanDerWaalsContact C-N 3.34Å; D222-V224 PolarHBondContact O-N 3.36Å; V224-M230 HydrophobicContact CG1-CB 3.81Å; V224-M230 HydrophobicContact CG1-CG 4.35Å; V224-M230 HydrophobicContact CG1-SD 3.73Å; V224-M230 WeakPolarHBondContact O-CB 3.43Å
225	H	89.1	Confident	93.9	Very high	32 Å²	32	54.5 Å²	54.5	15%	0.148	26%	0.258	C	S	.	.	H	α-helix	trans	-81.3	-30.4	-178.6	-71.9	92.3	0	0	0	114.2	F173 V221 D222 Y223 K231	F173-H225 AromaticContact CD1-CD2 3.75Å; F173-H225 AromaticContact CD1-NE2 3.43Å; F173-H225 WeakPolarHBondContact CD1-NE2 3.36Å; V221-H225 PolarHBondContact O-N 3.36Å; V221-H225 VanDerWaalsContact O-N 3.08Å; V221-H225 PolarHBondContact O-ND1 3.01Å; D222-H225 PolarHBondContact O-N 2.93Å; Y223-H225 VanDerWaalsContact C-N 3.3Å; Y223-H225 PolarHBondContact O-N 3.19Å; H225-K231 VanDerWaalsContact O-CE 3.3Å; H225-K231 WeakPolarHBondContact O-CE 3.15Å
226	Y	86.5	Confident	94	Very high	149 Å²	149	56.5 Å²	56.5	58%	0.584	27%	0.267	S	S	*	.	H	α-helix	trans	-103.3	-37.8	-176.3	-65.7	-68.4	0	0	0	114.3	D222 Y223	D222-Y226 HydrophobicContact CB-CD2 4.15Å; D222-Y226 HydrophobicContact CB-CE2 4.34Å; D222-Y226 WeakPolarHBondContact O-CB 3.43Å; D222-Y226 WeakPolarHBondContact O-CD2 3.45Å; D222-Y226 PolarHBondContact O-N 3.26Å; Y223-Y226 PolarHBondContact O-N 2.91Å
227	H	87.6	Confident	94	Very high	146 Å²	146	57.5 Å²	57.5	68%	0.676	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-19.5	-171.4	-59.1	-58.1	0	0	0	113.9	Y223	Y223-H227 HydrophobicContact CD2-CB 3.85Å; Y223-H227 HydrophobicContact CE2-CB 3.82Å; Y223-H227 HydrophobicContact CG-CB 4.45Å; Y223-H227 CarbonylContact O-C 3.59Å; Y223-H227 WeakPolarHBondContact O-CA 3.32Å; Y223-H227 PolarHBondContact O-N 3.04Å
228	G	87	Confident	94	Very high	22 Å²	22	59 Å²	59	23%	0.227	28%	0.28	C	S	.	.	S	Bend	trans	-77.4	178.2	-175.1	0	0	0	0	0	114	Y223 M230	Y223-G228 PolarHBondContact O-N 3.41Å; G228-M230 PolarHBondContact O-N 2.77Å
229	S	92.2	Very high	94.1	Very high	56 Å²	56	64.4 Å²	64.4	39%	0.392	31%	0.307	S	S	.	.	S	Bend	trans	-77.1	-5	-178.8	57.7	0	0	0	0	114	K231 K232 I233	S229-K231 PolarHBondContact O-N 2.83Å; S229-K232 WeakPolarHBondContact O-CB 3.12Å; S229-K232 PolarHBondContact O-N 3.24Å; S229-K232 VanDerWaalsContact O-N 3.13Å; S229-I233 VanDerWaalsContact O-CG1 3.3Å; S229-I233 WeakPolarHBondContact O-CG1 3.38Å; S229-I233 PolarHBondContact O-N 3.18Å
230	M	94	Very high	94.2	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.02	31%	0.308	C	S	.	.	H	α-helix	trans	-55.3	-55.4	-173.7	-170.3	172.5	-171.8	0	0	111.8	Y65 L68 L72 V224 G228 K232 I233 T234	Y65-M230 HydrophobicContact CD1-CE 4.25Å; Y65-M230 HydrophobicContact CD2-CE 4.33Å; Y65-M230 HydrophobicContact CE1-CE 3.75Å; Y65-M230 HydrophobicContact CE2-CE 3.81Å; L68-M230 HydrophobicContact CD2-CG 4.24Å; L68-M230 HydrophobicContact CG-CG 4.47Å; L72-M230 HydrophobicContact CD1-CB 3.57Å; L72-M230 HydrophobicContact CD1-CG 4Å; V224-M230 HydrophobicContact CG1-CB 3.81Å; V224-M230 HydrophobicContact CG1-CG 4.35Å; V224-M230 HydrophobicContact CG1-SD 3.73Å; V224-M230 WeakPolarHBondContact O-CB 3.43Å; G228-M230 PolarHBondContact O-N 2.77Å; M230-K232 VanDerWaalsContact C-N 3.3Å; M230-K232 PolarHBondContact O-N 3Å; M230-I233 PolarHBondContact O-N 3.49Å; M230-T234 PolarHBondContact O-N 2.87Å; M230-T234 PolarHBondContact O-OG1 3.25Å
231	K	93.9	Very high	94.2	Very high	56 Å²	56	66 Å²	66	24%	0.243	31%	0.309	C	S	.	.	H	α-helix	trans	-58.6	-41.5	178.4	-73.8	-172.4	176.4	-176.8	0	112.1	H225 S229 T234 L235 Y272	H225-K231 VanDerWaalsContact O-CE 3.3Å; H225-K231 WeakPolarHBondContact O-CE 3.15Å; S229-K231 PolarHBondContact O-N 2.83Å; K231-T234 WeakPolarHBondContact O-CB 3.34Å; K231-T234 PolarHBondContact O-N 3.48Å; K231-L235 VanDerWaalsContact O-CG 3.31Å; K231-L235 WeakPolarHBondContact O-CG 3.39Å; K231-L235 PolarHBondContact O-N 3.1Å; K231-Y272 HydrophobicContact CB-CD2 3.68Å; K231-Y272 HydrophobicContact CB-CE2 3.67Å; K231-Y272 HydrophobicContact CD-CD1 4.34Å; K231-Y272 HydrophobicContact CD-CD2 3.87Å; K231-Y272 HydrophobicContact CD-CE2 4.16Å; K231-Y272 HydrophobicContact CD-CG 3.97Å; K231-Y272 HydrophobicContact CG-CD2 3.84Å; K231-Y272 HydrophobicContact CG-CE2 3.68Å; K231-Y272 HydrophobicContact CG-CG 4.41Å
232	K	95.7	Very high	94.4	Very high	132 Å²	132	65.6 Å²	65.6	57%	0.574	31%	0.307	S	S	*	.	H	α-helix	trans	-60.7	-50.6	177	179.3	-179.7	171.9	-179.1	0	111.4	S229 M230 T234 L235 E236	S229-K232 WeakPolarHBondContact O-CB 3.12Å; S229-K232 PolarHBondContact O-N 3.24Å; S229-K232 VanDerWaalsContact O-N 3.13Å; M230-K232 VanDerWaalsContact C-N 3.3Å; M230-K232 PolarHBondContact O-N 3Å; K232-T234 VanDerWaalsContact C-N 3.27Å; K232-T234 PolarHBondContact O-N 2.85Å; K232-L235 PolarHBondContact O-N 3.32Å; K232-L235 VanDerWaalsContact O-N 3.16Å; K232-E236 WeakPolarHBondContact CE-OE1 3.01Å; K232-E236 IonicContact NZ-OE1 3.63Å; K232-E236 WeakPolarHBondContact O-CG 3.43Å; K232-E236 PolarHBondContact O-N 2.93Å
233	I	97.7	Very high	94.4	Very high	35 Å²	35	66.9 Å²	66.9	18%	0.179	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-38.8	178.8	-66.4	164.8	0	0	0	110.8	L68 L72 S229 M230 E236 N237 Y241	L68-I233 HydrophobicContact CD1-CD1 4.13Å; L68-I233 HydrophobicContact CD1-CG2 3.98Å; L68-I233 HydrophobicContact CD2-CB 4.31Å; L68-I233 HydrophobicContact CD2-CG2 3.85Å; L72-I233 HydrophobicContact CD1-CD1 4.29Å; L72-I233 HydrophobicContact CD2-CD1 4.25Å; S229-I233 VanDerWaalsContact O-CG1 3.3Å; S229-I233 WeakPolarHBondContact O-CG1 3.38Å; S229-I233 PolarHBondContact O-N 3.18Å; M230-I233 PolarHBondContact O-N 3.49Å; I233-E236 PolarHBondContact O-N 3.41Å; I233-N237 PolarHBondContact O-N 3.02Å; I233-N237 PolarHBondContact O-ND2 3.49Å; I233-Y241 HydrophobicContact CG2-CE2 3.95Å
234	T	96.9	Very high	94.4	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.9	-48.7	174.5	-52.1	0	0	0	0	111.5	Y60 Y65 M230 K231 K232 E236 N237 L238 I242	Y60-T234 HydrophobicContact CE1-CG2 4.2Å; Y65-T234 HydrophobicContact CE2-CG2 4.07Å; Y65-T234 WeakPolarHBondContact CE2-OG1 3.36Å; M230-T234 PolarHBondContact O-N 2.87Å; M230-T234 PolarHBondContact O-OG1 3.25Å; K231-T234 WeakPolarHBondContact O-CB 3.34Å; K231-T234 PolarHBondContact O-N 3.48Å; K232-T234 VanDerWaalsContact C-N 3.27Å; K232-T234 PolarHBondContact O-N 2.85Å; T234-E236 VanDerWaalsContact C-N 3.31Å; T234-E236 PolarHBondContact O-N 3.38Å; T234-N237 CarbonylContact O-C 3.54Å; T234-N237 PolarHBondContact O-N 3.36Å; T234-N237 VanDerWaalsContact O-N 3.09Å; T234-L238 WeakPolarHBondContact O-CA 3.46Å; T234-L238 PolarHBondContact O-N 3.49Å; T234-I242 HydrophobicContact CG2-CD1 4.1Å; T234-I242 HydrophobicContact CG2-CG1 4.24Å
235	L	97.3	Very high	94.4	Very high	37 Å²	37	67.4 Å²	67.4	19%	0.194	32%	0.315	C	S	.	.	H	α-helix	trans	-65.9	-33.5	-179.6	-67.4	-174.9	0	0	0	112.7	K231 K232 N237 L238 Y272 K275 V276	K231-L235 VanDerWaalsContact O-CG 3.31Å; K231-L235 WeakPolarHBondContact O-CG 3.39Å; K231-L235 PolarHBondContact O-N 3.1Å; K232-L235 PolarHBondContact O-N 3.32Å; K232-L235 VanDerWaalsContact O-N 3.16Å; L235-N237 PolarHBondContact O-N 3.29Å; L235-L238 HydrophobicContact CD2-CD2 4.01Å; L235-Y272 HydrophobicContact CD1-CD2 3.92Å; L235-Y272 HydrophobicContact CD2-CD2 3.76Å; L235-Y272 HydrophobicContact CD2-CE2 3.83Å; L235-Y272 HydrophobicContact CG-CD2 3.8Å; L235-Y272 HydrophobicContact CG-CE2 3.97Å; L235-K275 HydrophobicContact CD1-CB 4.23Å; L235-K275 HydrophobicContact CD1-CG 4.22Å; L235-K275 HydrophobicContact CD2-CB 3.56Å; L235-K275 HydrophobicContact CD2-CG 4.42Å; L235-K275 HydrophobicContact CG-CB 4.46Å; L235-V276 HydrophobicContact CD2-CG2 3.98Å
236	E	97.9	Very high	94.6	Very high	123 Å²	123	70.7 Å²	70.7	58%	0.575	34%	0.341	S	S	*	.	H	α-helix	trans	-71.1	-16.7	174.8	-71.3	169.9	178.1	0	0	112.7	K232 I233 T234	K232-E236 WeakPolarHBondContact CE-OE1 3.01Å; K232-E236 IonicContact NZ-OE1 3.63Å; K232-E236 WeakPolarHBondContact O-CG 3.43Å; K232-E236 PolarHBondContact O-N 2.93Å; I233-E236 PolarHBondContact O-N 3.41Å; T234-E236 VanDerWaalsContact C-N 3.31Å; T234-E236 PolarHBondContact O-N 3.38Å
237	N	97.7	Very high	95.1	Very high	66 Å²	66	66.7 Å²	66.7	35%	0.353	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141	46.5	-173.6	-59.4	-93.2	0	0	0	112.1	I233 T234 L235 E239 R240 Y241	I233-N237 PolarHBondContact O-N 3.02Å; I233-N237 PolarHBondContact O-ND2 3.49Å; T234-N237 CarbonylContact O-C 3.54Å; T234-N237 PolarHBondContact O-N 3.36Å; T234-N237 VanDerWaalsContact O-N 3.09Å; L235-N237 PolarHBondContact O-N 3.29Å; N237-E239 VanDerWaalsContact C-N 3.32Å; N237-E239 PolarHBondContact O-N 2.92Å; N237-R240 HydrophobicContact CB-CB 4.12Å; N237-R240 WeakPolarHBondContact O-CB 3.39Å; N237-R240 PolarHBondContact O-N 3.25Å; N237-Y241 HydrophobicContact CB-CD2 3.81Å; N237-Y241 HydrophobicContact CB-CE2 3.64Å; N237-Y241 WeakPolarHBondContact O-CD2 3.3Å; N237-Y241 PolarHBondContact O-N 2.9Å
238	L	97.7	Very high	95.6	Very high	32 Å²	32	60 Å²	60	17%	0.168	29%	0.294	C	S	.	.	H	α-helix	trans	-53.4	-45.1	-172.7	-73.5	162.4	0	0	0	113.2	T234 L235 R240 Y241 I242 V276 Y279	T234-L238 WeakPolarHBondContact O-CA 3.46Å; T234-L238 PolarHBondContact O-N 3.49Å; L235-L238 HydrophobicContact CD2-CD2 4.01Å; L238-R240 PolarHBondContact O-N 3.03Å; L238-Y241 PolarHBondContact O-N 3.4Å; L238-I242 HydrophobicContact CD2-CD1 3.69Å; L238-I242 HydrophobicContact CD2-CG1 4.49Å; L238-I242 PolarHBondContact O-N 3.49Å; L238-V276 HydrophobicContact CD2-CG2 4.31Å; L238-Y279 HydrophobicContact CB-CD1 4.22Å; L238-Y279 HydrophobicContact CB-CD2 4.09Å; L238-Y279 HydrophobicContact CB-CE1 4.37Å; L238-Y279 HydrophobicContact CB-CE2 4.26Å; L238-Y279 HydrophobicContact CB-CG 4.07Å; L238-Y279 HydrophobicContact CD1-CD2 4.44Å; L238-Y279 HydrophobicContact CD1-CG 4.17Å
239	E	97.1	Very high	96	Very high	146 Å²	146	60.2 Å²	60.2	68%	0.682	29%	0.292	S	S	*	.	H	α-helix	trans	-61.5	-33.6	178.8	-173.9	-179.7	-178.2	0	0	112.4	K61 N237 Y279	K61-E239 WeakPolarHBondContact CE-O 3.5Å; K61-E239 PolarHBondContact NZ-O 3.3Å; N237-E239 VanDerWaalsContact C-N 3.32Å; N237-E239 PolarHBondContact O-N 2.92Å; E239-Y279 WeakPolarHBondContact CA-OH 3.4Å
240	R	97	Very high	96.2	Very high	156 Å²	156	61.7 Å²	61.7	59%	0.589	29%	0.294	S	S	*	.	H	α-helix	trans	-71.1	-33.3	179.7	-178.2	176	175.8	167.6	-0.4	112.4	K61 N237 L238	K61-R240 WeakPolarHBondContact CD-O 3.28Å; N237-R240 HydrophobicContact CB-CB 4.12Å; N237-R240 WeakPolarHBondContact O-CB 3.39Å; N237-R240 PolarHBondContact O-N 3.25Å; L238-R240 PolarHBondContact O-N 3.03Å
241	Y	96.6	Very high	96.4	Very high	11 Å²	11	61.5 Å²	61.5	4%	0.043	29%	0.293	C	S	.	.	H	α-helix	trans	-111.5	-21.9	-168.2	-63.8	-60.3	0	0	0	114.8	Y60 K61 A64 Y65 L68 I233 N237 L238	Y60-Y241 CarbonylContact C-O 3.4Å; Y60-Y241 VanDerWaalsContact CA-O 3.28Å; Y60-Y241 WeakPolarHBondContact CA-O 3.47Å; K61-Y241 PolarHBondContact N-O 3.04Å; A64-Y241 HydrophobicContact CB-CD1 4.28Å; A64-Y241 HydrophobicContact CB-CE1 4.33Å; Y65-Y241 AromaticContact CD2-CD1 3.92Å; Y65-Y241 HydrophobicContact CD2-CD1 3.92Å; Y65-Y241 HydrophobicContact CD2-CG 4.05Å; L68-Y241 HydrophobicContact CB-CE1 4.1Å; L68-Y241 HydrophobicContact CD2-CD1 4.47Å; L68-Y241 HydrophobicContact CD2-CE1 3.97Å; L68-Y241 HydrophobicContact CD2-CE2 4.05Å; I233-Y241 HydrophobicContact CG2-CE2 3.95Å; N237-Y241 HydrophobicContact CB-CD2 3.81Å; N237-Y241 HydrophobicContact CB-CE2 3.64Å; N237-Y241 WeakPolarHBondContact O-CD2 3.3Å; N237-Y241 PolarHBondContact O-N 2.9Å; L238-Y241 PolarHBondContact O-N 3.4Å
242	I	97.6	Very high	96.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.7	-175.8	-55.9	-173.6	0	0	0	110	A58 Y60 K61 T234 L238 K244 V276 Y279 L280	A58-I242 HydrophobicContact CB-CG2 4.48Å; Y60-I242 HydrophobicContact CD1-CG1 3.95Å; Y60-I242 HydrophobicContact CE1-CD1 3.99Å; Y60-I242 HydrophobicContact CE1-CG1 3.85Å; K61-I242 WeakPolarHBondContact CE-O 3.5Å; T234-I242 HydrophobicContact CG2-CD1 4.1Å; T234-I242 HydrophobicContact CG2-CG1 4.24Å; L238-I242 HydrophobicContact CD2-CD1 3.69Å; L238-I242 HydrophobicContact CD2-CG1 4.49Å; L238-I242 PolarHBondContact O-N 3.49Å; I242-K244 PolarHBondContact O-N 3.45Å; I242-V276 HydrophobicContact CD1-CB 4.46Å; I242-V276 HydrophobicContact CD1-CG1 3.91Å; I242-V276 HydrophobicContact CD1-CG2 3.85Å; I242-Y279 HydrophobicContact CB-CD1 4.5Å; I242-Y279 HydrophobicContact CB-CE1 4.05Å; I242-Y279 HydrophobicContact CG2-CD1 4.35Å; I242-Y279 HydrophobicContact CG2-CE1 4.07Å; I242-Y279 PolarHBondContact O-OH 3.26Å; I242-L280 HydrophobicContact CG2-CD2 3.93Å
243	H	94.5	Very high	96.7	Very high	94 Å²	94	54.5 Å²	54.5	44%	0.435	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	115.9	171.9	-174.5	79	0	0	0	109.5	S59 K61 D245	S59-H243 PolarHBondContact O-N 2.84Å; K61-H243 HydrophobicContact CG-CB 4.29Å; H243-D245 PolarHBondContact O-N 2.65Å
244	K	94.4	Very high	96.7	Very high	101 Å²	101	57.8 Å²	57.8	44%	0.439	27%	0.274	S	S	.	.			trans	-87.3	106.6	173.4	-176.4	169.8	-178.6	161.9	0	109.1	I242 Y279 L280	I242-K244 PolarHBondContact O-N 3.45Å; K244-Y279 HydrophobicContact CB-CE1 3.9Å; K244-Y279 HydrophobicContact CD-CE2 4.3Å; K244-Y279 WeakPolarHBondContact CD-O 3.26Å; K244-Y279 WeakPolarHBondContact CE-O 3.13Å; K244-Y279 PolarHBondContact NZ-O 3.1Å; K244-L280 HydrophobicContact CB-CD2 4.41Å; K244-L280 HydrophobicContact CG-CD2 4.48Å
245	D	94	Very high	96.7	Very high	18 Å²	18	57.8 Å²	57.8	10%	0.096	27%	0.274	C	S	.	.			trans	-95.7	111	177	-171.4	-17	0	0	0	110.2	H243 R247 I248	H243-D245 PolarHBondContact O-N 2.65Å; D245-R247 PolarHBondContact O-N 3.16Å; D245-R247 WeakPolarHBondContact OD1-CB 3.08Å; D245-R247 VanDerWaalsContact OD1-CG 3.23Å; D245-R247 WeakPolarHBondContact OD1-CG 3.49Å; D245-R247 IonicContact OD1-CZ 3.55Å; D245-R247 PolarHBondContact OD1-N 3.27Å; D245-R247 IonicContact OD1-NE 3.99Å; D245-R247 PolarHBondContact OD1-NE 2.8Å; D245-R247 IonicContact OD1-NH2 2.81Å; D245-R247 IonicContact OD2-CZ 3.76Å; D245-R247 VanDerWaalsContact OD2-CZ 3.26Å; D245-R247 IonicContact OD2-NE 3.33Å; D245-R247 PolarHBondContact OD2-NE 2.99Å; D245-R247 IonicContact OD2-NH2 3.01Å; D245-R247 PolarHBondContact OD2-NH2 2.8Å; D245-I248 HydrophobicContact CB-CD1 3.87Å; D245-I248 HydrophobicContact CB-CG1 3.99Å; D245-I248 PolarHBondContact O-N 3.45Å; D245-I248 VanDerWaalsContact O-N 3.14Å
246	S	94.4	Very high	96.7	Very high	100 Å²	100	59.9 Å²	59.9	70%	0.699	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-10.9	-179.2	61.1	0	0	0	0	113.7
247	R	95.5	Very high	96.6	Very high	66 Å²	66	61.2 Å²	61.2	25%	0.249	29%	0.286	C	S	.	.	H	α-helix	trans	-79	-22.5	177.2	-59.9	177	-62.5	171.6	3	112.8	D245 M250 L251 C475 L478 Y479	D245-R247 PolarHBondContact O-N 3.16Å; D245-R247 WeakPolarHBondContact OD1-CB 3.08Å; D245-R247 VanDerWaalsContact OD1-CG 3.23Å; D245-R247 WeakPolarHBondContact OD1-CG 3.49Å; D245-R247 IonicContact OD1-CZ 3.55Å; D245-R247 PolarHBondContact OD1-N 3.27Å; D245-R247 IonicContact OD1-NE 3.99Å; D245-R247 PolarHBondContact OD1-NE 2.8Å; D245-R247 IonicContact OD1-NH2 2.81Å; D245-R247 IonicContact OD2-CZ 3.76Å; D245-R247 VanDerWaalsContact OD2-CZ 3.26Å; D245-R247 IonicContact OD2-NE 3.33Å; D245-R247 PolarHBondContact OD2-NE 2.99Å; D245-R247 IonicContact OD2-NH2 3.01Å; D245-R247 PolarHBondContact OD2-NH2 2.8Å; R247-M250 WeakPolarHBondContact O-CB 3.28Å; R247-M250 PolarHBondContact O-N 3.05Å; R247-L251 PolarHBondContact O-N 3.05Å; R247-C475 HydrophobicContact CB-CB 4.21Å; R247-L478 HydrophobicContact CB-CD1 3.65Å; R247-L478 HydrophobicContact CG-CD1 4.36Å; R247-Y479 PolarHBondContact NH1-OH 2.77Å
248	I	97.8	Very high	96.4	Very high	5 Å²	5	61.8 Å²	61.8	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-48.3	-175.4	-58.7	166	0	0	0	112.2	L57 D245 M250 L251 L252 L281	L57-I248 HydrophobicContact CD2-CG2 3.77Å; L57-I248 WeakPolarHBondContact O-CD1 3.43Å; D245-I248 HydrophobicContact CB-CD1 3.87Å; D245-I248 HydrophobicContact CB-CG1 3.99Å; D245-I248 PolarHBondContact O-N 3.45Å; D245-I248 VanDerWaalsContact O-N 3.14Å; I248-M250 VanDerWaalsContact C-N 3.28Å; I248-M250 PolarHBondContact O-N 3.23Å; I248-L251 WeakPolarHBondContact O-CB 3.31Å; I248-L251 PolarHBondContact O-N 2.93Å; I248-L251 VanDerWaalsContact O-N 3.15Å; I248-L252 HydrophobicContact CG2-CD1 4.05Å; I248-L252 HydrophobicContact CG2-CG 4.46Å; I248-L252 WeakPolarHBondContact O-CG 3.34Å; I248-L252 PolarHBondContact O-N 3.01Å; I248-L252 VanDerWaalsContact O-N 3.08Å; I248-L281 HydrophobicContact CB-CD2 4.07Å; I248-L281 HydrophobicContact CG2-CD2 3.62Å
249	P	97.2	Very high	96.3	Very high	27 Å²	27	63.4 Å²	63.4	18%	0.175	32%	0.317	C	S	.	.	H	α-helix	trans	-54.3	-44.8	174.2	-28.2	36.4	0	0	0	112.8	L251 L252 D253 L281 Y291	P249-L251 VanDerWaalsContact C-N 3.35Å; P249-L251 PolarHBondContact O-N 3.39Å; P249-L252 PolarHBondContact O-N 3.43Å; P249-D253 PolarHBondContact O-N 2.97Å; P249-L281 HydrophobicContact CG-CD2 3.83Å; P249-Y291 HydrophobicContact CB-CE1 3.98Å
250	M	96.5	Very high	96.3	Very high	87 Å²	87	56.9 Å²	56.9	43%	0.429	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-38.8	178.6	-174.4	-172.3	-57.3	0	0	112.4	R247 I248 R254 L478	R247-M250 WeakPolarHBondContact O-CB 3.28Å; R247-M250 PolarHBondContact O-N 3.05Å; I248-M250 VanDerWaalsContact C-N 3.28Å; I248-M250 PolarHBondContact O-N 3.23Å; M250-R254 WeakPolarHBondContact O-CB 3.37Å; M250-R254 WeakPolarHBondContact O-CG 3.37Å; M250-R254 PolarHBondContact O-N 2.94Å; M250-R254 PolarHBondContact SD-NH2 3.36Å; M250-L478 HydrophobicContact CG-CD2 4.12Å; M250-L478 HydrophobicContact SD-CD2 4.38Å
251	L	97.9	Very high	96.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.1	-49.8	175.6	177.4	72.5	0	0	0	110.7	F51 R247 I248 P249 R254 M255 C474 L477 L478 F482	F51-L251 HydrophobicContact CE1-CD2 4.3Å; F51-L251 HydrophobicContact CZ-CD2 4.36Å; R247-L251 PolarHBondContact O-N 3.05Å; I248-L251 WeakPolarHBondContact O-CB 3.31Å; I248-L251 PolarHBondContact O-N 2.93Å; I248-L251 VanDerWaalsContact O-N 3.15Å; P249-L251 VanDerWaalsContact C-N 3.35Å; P249-L251 PolarHBondContact O-N 3.39Å; L251-R254 PolarHBondContact O-N 2.97Å; L251-M255 HydrophobicContact CD1-CE 3.75Å; L251-M255 HydrophobicContact CD2-CE 4.39Å; L251-M255 HydrophobicContact CG-CE 3.97Å; L251-M255 HydrophobicContact CG-SD 4.32Å; L251-M255 WeakPolarHBondContact O-CG 3.45Å; L251-M255 PolarHBondContact O-N 3.16Å; L251-M255 VanDerWaalsContact O-N 3.1Å; L251-C474 HydrophobicContact CD2-CB 4.4Å; L251-L477 HydrophobicContact CD1-CB 3.83Å; L251-L478 HydrophobicContact CB-CD1 4.2Å; L251-L478 HydrophobicContact CB-CD2 4.09Å; L251-L478 HydrophobicContact CB-CG 4Å; L251-L478 HydrophobicContact CD1-CD2 4.13Å; L251-L478 HydrophobicContact CD1-CG 3.8Å; L251-F482 HydrophobicContact CD1-CZ 4.02Å
252	L	98.4	Very high	96.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-39.5	-178.5	-64.9	171	0	0	0	111.5	F51 I248 P249 M255 R256 T262 L281 Y291 F292	F51-L252 HydrophobicContact CD2-CD2 4.19Å; F51-L252 HydrophobicContact CE2-CD2 3.73Å; F51-L252 HydrophobicContact CZ-CD2 4.16Å; I248-L252 HydrophobicContact CG2-CD1 4.05Å; I248-L252 HydrophobicContact CG2-CG 4.46Å; I248-L252 WeakPolarHBondContact O-CG 3.34Å; I248-L252 PolarHBondContact O-N 3.01Å; I248-L252 VanDerWaalsContact O-N 3.08Å; P249-L252 PolarHBondContact O-N 3.43Å; L252-M255 PolarHBondContact O-N 2.83Å; L252-R256 VanDerWaalsContact O-CG 3.3Å; L252-R256 WeakPolarHBondContact O-CG 3.3Å; L252-R256 PolarHBondContact O-N 2.9Å; L252-R256 VanDerWaalsContact O-N 3.15Å; L252-T262 HydrophobicContact CD2-CG2 4.32Å; L252-L281 HydrophobicContact CD1-CD1 3.75Å; L252-L281 HydrophobicContact CD1-CD2 4.29Å; L252-Y291 HydrophobicContact CB-CD1 3.77Å; L252-Y291 HydrophobicContact CB-CG 4.4Å; L252-Y291 HydrophobicContact CD1-CD1 4.16Å; L252-Y291 HydrophobicContact CD1-CG 4.1Å; L252-F292 HydrophobicContact CD1-CE1 4.38Å; L252-F292 HydrophobicContact CD1-CZ 3.94Å; L252-F292 HydrophobicContact CD2-CE1 4.19Å
253	D	97	Very high	96.4	Very high	41 Å²	41	53.5 Å²	53.5	22%	0.219	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-47.8	177	-76.8	-22.1	0	0	0	112.6	P249 M255 R256 E257 R286	P249-D253 PolarHBondContact O-N 2.97Å; D253-M255 VanDerWaalsContact C-N 3.25Å; D253-M255 PolarHBondContact O-N 2.69Å; D253-R256 WeakPolarHBondContact O-CA 3.27Å; D253-R256 PolarHBondContact O-N 3.39Å; D253-E257 WeakPolarHBondContact O-CG 3.24Å; D253-E257 PolarHBondContact O-N 3.19Å; D253-R286 IonicContact OD1-CZ 3.97Å; D253-R286 IonicContact OD1-NH1 2.7Å; D253-R286 PolarHBondContact OD1-NH1 2.96Å; D253-R286 IonicContact OD1-NH2 3.9Å; D253-R286 PolarHBondContact OD1-NH2 3.35Å; D253-R286 IonicContact OD2-CZ 3.75Å; D253-R286 IonicContact OD2-NH1 2.82Å; D253-R286 PolarHBondContact OD2-NH1 2.8Å
254	R	97.6	Very high	96.6	Very high	103 Å²	103	49 Å²	49	39%	0.389	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-31.2	178.6	-71.1	-179.1	-179.6	-177.8	1.2	113.1	M250 L251 T258 F482	M250-R254 WeakPolarHBondContact O-CB 3.37Å; M250-R254 WeakPolarHBondContact O-CG 3.37Å; M250-R254 PolarHBondContact O-N 2.94Å; M250-R254 PolarHBondContact SD-NH2 3.36Å; L251-R254 PolarHBondContact O-N 2.97Å; R254-T258 WeakPolarHBondContact O-CG2 3.2Å; R254-F482 HydrophobicContact CB-CD2 4.17Å; R254-F482 HydrophobicContact CB-CE2 3.59Å
255	M	97.5	Very high	96.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65	-40.9	170.9	-75.5	173.4	173.2	0	0	111.5	F49 F51 L251 L252 D253 T258 A260 T262 L477 F482	F49-M255 HydrophobicContact CB-SD 3.8Å; F49-M255 HydrophobicContact CD1-CE 3.58Å; F49-M255 HydrophobicContact CD1-SD 3.87Å; F49-M255 HydrophobicContact CD2-CB 4.12Å; F49-M255 HydrophobicContact CD2-CG 4Å; F49-M255 HydrophobicContact CD2-SD 4.02Å; F49-M255 HydrophobicContact CE1-CE 3.86Å; F49-M255 HydrophobicContact CE1-SD 4.45Å; F49-M255 HydrophobicContact CE2-CB 4.39Å; F49-M255 HydrophobicContact CE2-CG 4.14Å; F49-M255 HydrophobicContact CG-CE 4Å; F49-M255 HydrophobicContact CG-CG 4.2Å; F49-M255 HydrophobicContact CG-SD 3.62Å; F49-M255 HydrophobicContact CZ-CG 4.46Å; F51-M255 HydrophobicContact CE2-SD 3.92Å; F51-M255 HydrophobicContact CZ-CE 3.81Å; F51-M255 HydrophobicContact CZ-SD 3.64Å; L251-M255 HydrophobicContact CD1-CE 3.75Å; L251-M255 HydrophobicContact CD2-CE 4.39Å; L251-M255 HydrophobicContact CG-CE 3.97Å; L251-M255 HydrophobicContact CG-SD 4.32Å; L251-M255 WeakPolarHBondContact O-CG 3.45Å; L251-M255 PolarHBondContact O-N 3.16Å; L251-M255 VanDerWaalsContact O-N 3.1Å; L252-M255 PolarHBondContact O-N 2.83Å; D253-M255 VanDerWaalsContact C-N 3.25Å; D253-M255 PolarHBondContact O-N 2.69Å; M255-T258 PolarHBondContact O-N 3.19Å; M255-T258 PolarHBondContact O-OG1 2.96Å; M255-A260 WeakPolarHBondContact O-CB 2.86Å; M255-T262 HydrophobicContact CB-CG2 4.15Å; M255-L477 HydrophobicContact CE-CD1 3.78Å; M255-F482 HydrophobicContact CE-CE1 3.53Å; M255-F482 HydrophobicContact CE-CZ 3.87Å; M255-F482 HydrophobicContact CG-CD1 4.11Å; M255-F482 HydrophobicContact CG-CE1 3.36Å; M255-F482 HydrophobicContact CG-CE2 4.23Å; M255-F482 HydrophobicContact CG-CZ 3.43Å; M255-F482 VanDerWaalsContact CG-CZ 3.43Å; M255-F482 HydrophobicContact SD-CE1 4.35Å
256	R	96	Very high	96.9	Very high	81 Å²	81	43.3 Å²	43.3	31%	0.306	23%	0.231	S	C	.	.	H	α-helix	trans	-74.1	-32.9	-179.6	-67.9	174.2	66.7	71.5	8.4	112.7	L252 D253 T258 G259 T262 D293	L252-R256 VanDerWaalsContact O-CG 3.3Å; L252-R256 WeakPolarHBondContact O-CG 3.3Å; L252-R256 PolarHBondContact O-N 2.9Å; L252-R256 VanDerWaalsContact O-N 3.15Å; D253-R256 WeakPolarHBondContact O-CA 3.27Å; D253-R256 PolarHBondContact O-N 3.39Å; R256-T258 PolarHBondContact O-N 3.1Å; R256-G259 WeakPolarHBondContact O-CA 3.47Å; R256-G259 PolarHBondContact O-N 3.33Å; R256-T262 HydrophobicContact CG-CG2 4.07Å; R256-T262 PolarHBondContact NH1-OG1 2.74Å; R256-D293 IonicContact CZ-OD1 3.91Å; R256-D293 IonicContact NH1-OD1 3.57Å; R256-D293 PolarHBondContact NH1-OD1 3.19Å; R256-D293 IonicContact NH1-OD2 3.13Å; R256-D293 PolarHBondContact NH1-OD2 3.34Å; R256-D293 IonicContact NH2-OD1 2.67Å
257	E	96.2	Very high	96.9	Very high	151 Å²	151	41 Å²	41	71%	0.706	21%	0.211	S	C	*	.	H	α-helix	trans	-59.2	-24.1	175.1	-74.9	168.2	-175.4	0	0	112.8	D253 G259	D253-E257 WeakPolarHBondContact O-CG 3.24Å; D253-E257 PolarHBondContact O-N 3.19Å; E257-G259 PolarHBondContact O-N 3.17Å
258	T	94.6	Very high	96.9	Very high	79 Å²	79	38.1 Å²	38.1	49%	0.485	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-5	174.9	72.6	0	0	0	0	113.1	R254 M255 R256 A260 F482	R254-T258 WeakPolarHBondContact O-CG2 3.2Å; M255-T258 PolarHBondContact O-N 3.19Å; M255-T258 PolarHBondContact O-OG1 2.96Å; R256-T258 PolarHBondContact O-N 3.1Å; T258-A260 VanDerWaalsContact C-N 3.33Å; T258-A260 PolarHBondContact OG1-N 3.08Å; T258-F482 HydrophobicContact CG2-CB 3.5Å; T258-F482 VanDerWaalsContact CG2-CB 3.5Å; T258-F482 HydrophobicContact CG2-CD2 4.35Å; T258-F482 HydrophobicContact CG2-CG 4.11Å
259	G	95.6	Very high	96.8	Very high	66 Å²	66	39.9 Å²	39.9	68%	0.68	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.5	1.1	-171.4	0	0	0	0	0	114.1	R256 E257	R256-G259 WeakPolarHBondContact O-CA 3.47Å; R256-G259 PolarHBondContact O-N 3.33Å; E257-G259 PolarHBondContact O-N 3.17Å
260	A	96.9	Very high	96.8	Very high	8 Å²	8	39 Å²	39	7%	0.066	21%	0.209	C	C	.	.			trans	-72.6	147.6	173.9	0	0	0	0	0	111.5	K47 F49 M255 T258	K47-A260 CarbonylContact O-C 3.45Å; K47-A260 WeakPolarHBondContact O-CA 3.28Å; F49-A260 HydrophobicContact CD2-CB 3.79Å; F49-A260 HydrophobicContact CE2-CB 3.64Å; M255-A260 WeakPolarHBondContact O-CB 2.86Å; T258-A260 VanDerWaalsContact C-N 3.33Å; T258-A260 PolarHBondContact OG1-N 3.08Å
261	K	97.3	Very high	96.7	Very high	94 Å²	94	40.3 Å²	40.3	41%	0.409	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	149.8	175	-69.1	-177.3	-177.3	176.9	0	111	K47 F48 F49 D293 L348	K47-K261 PolarHBondContact O-N 2.82Å; F48-K261 CarbonylContact C-O 3.56Å; F48-K261 VanDerWaalsContact CA-O 3.29Å; F48-K261 WeakPolarHBondContact CA-O 3.4Å; F48-K261 HydrophobicContact CD1-CB 3.82Å; F48-K261 HydrophobicContact CD1-CD 4.26Å; F48-K261 HydrophobicContact CE1-CB 4.23Å; F48-K261 HydrophobicContact CE1-CD 3.83Å; F48-K261 HydrophobicContact CE1-CG 4.48Å; F49-K261 PolarHBondContact N-O 2.67Å; K261-D293 WeakPolarHBondContact CA-OD2 3.41Å; K261-D293 HydrophobicContact CB-CB 4.29Å; K261-D293 VanDerWaalsContact CB-OD2 3.24Å; K261-D293 WeakPolarHBondContact CB-OD2 3.31Å; K261-D293 HydrophobicContact CD-CB 4.46Å; K261-D293 HydrophobicContact CG-CB 4.43Å; K261-L348 HydrophobicContact CD-CD1 4.32Å
262	T	98	Very high	96.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.2	-179.9	45.5	0	0	0	0	110.2	F49 L252 M255 R256 Y291 F292 D293	F49-T262 HydrophobicContact CB-CG2 4.34Å; F49-T262 CarbonylContact O-C 3.36Å; F49-T262 VanDerWaalsContact O-CA 3.29Å; F49-T262 WeakPolarHBondContact O-CA 3.44Å; L252-T262 HydrophobicContact CD2-CG2 4.32Å; M255-T262 HydrophobicContact CB-CG2 4.15Å; R256-T262 HydrophobicContact CG-CG2 4.07Å; R256-T262 PolarHBondContact NH1-OG1 2.74Å; T262-Y291 WeakPolarHBondContact CB-O 3.42Å; T262-Y291 PolarHBondContact OG1-O 3.49Å; T262-F292 CarbonylContact O-C 3.58Å; T262-D293 PolarHBondContact N-OD2 3.02Å; T262-D293 PolarHBondContact O-N 3.02Å
263	F	98	Very high	96.6	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149	174.1	68	-91.4	0	0	0	113.3	F48 F49 G50 F51 L265 A294 F344 L348 V355 Y357 W375	F48-F263 HydrophobicContact CB-CE1 4.22Å; F49-F263 PolarHBondContact O-N 2.95Å; G50-F263 CarbonylContact C-O 3.46Å; G50-F263 VanDerWaalsContact CA-CE2 3.47Å; G50-F263 WeakPolarHBondContact CA-O 3.41Å; F51-F263 PolarHBondContact N-O 2.85Å; F263-L265 HydrophobicContact CD2-CB 4.31Å; F263-L265 HydrophobicContact CE2-CB 4.26Å; F263-A294 CarbonylContact C-O 3.52Å; F263-A294 WeakPolarHBondContact CA-O 3.3Å; F263-A294 HydrophobicContact CB-CB 3.96Å; F263-A294 VanDerWaalsContact CB-O 3.29Å; F263-A294 WeakPolarHBondContact CB-O 3.48Å; F263-F344 HydrophobicContact CB-CZ 3.96Å; F263-F344 HydrophobicContact CD1-CE1 4.24Å; F263-F344 HydrophobicContact CD1-CZ 4.38Å; F263-F344 AromaticContact CD2-CE1 3.81Å; F263-F344 HydrophobicContact CD2-CE1 3.81Å; F263-F344 AromaticContact CD2-CZ 3.78Å; F263-F344 HydrophobicContact CD2-CZ 3.78Å; F263-F344 HydrophobicContact CE1-CE1 4.31Å; F263-F344 AromaticContact CE2-CE1 3.9Å; F263-F344 HydrophobicContact CE2-CE1 3.9Å; F263-F344 HydrophobicContact CE2-CZ 4.33Å; F263-F344 AromaticContact CG-CE1 3.99Å; F263-F344 HydrophobicContact CG-CE1 3.99Å; F263-F344 AromaticContact CG-CZ 3.8Å; F263-F344 HydrophobicContact CG-CZ 3.8Å; F263-F344 HydrophobicContact CZ-CE1 4.13Å; F263-L348 HydrophobicContact CD1-CD2 3.9Å; F263-L348 HydrophobicContact CE1-CD2 4.23Å; F263-V355 HydrophobicContact CE1-CG1 3.99Å; F263-V355 HydrophobicContact CZ-CG1 3.99Å; F263-Y357 HydrophobicContact CE2-CD2 4.24Å; F263-Y357 HydrophobicContact CE2-CE2 4.45Å; F263-Y357 HydrophobicContact CZ-CD2 4.35Å; F263-W375 HydrophobicContact CE2-CH2 4.15Å; F263-W375 HydrophobicContact CE2-CZ3 4.23Å; F263-W375 AromaticContact CZ-CH2 3.7Å; F263-W375 HydrophobicContact CZ-CH2 3.7Å; F263-W375 AromaticContact CZ-CZ3 3.8Å; F263-W375 HydrophobicContact CZ-CZ3 3.8Å
264	L	98.6	Very high	96.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.6	173.7	-172.6	69.1	0	0	0	109.6	M53 L57 T273 M277 W288 F292 A294 I295 V296	M53-L264 HydrophobicContact CB-CD1 4.12Å; L57-L264 HydrophobicContact CD1-CD1 3.84Å; L264-T273 HydrophobicContact CD2-CG2 3.76Å; L264-M277 HydrophobicContact CD2-CE 4.45Å; L264-M277 HydrophobicContact CD2-CG 4.26Å; L264-W288 HydrophobicContact CD2-CH2 4.28Å; L264-W288 HydrophobicContact CD2-CZ3 3.86Å; L264-F292 HydrophobicContact CB-CD1 3.99Å; L264-F292 HydrophobicContact CB-CE1 4.03Å; L264-F292 HydrophobicContact CB-CG 4.26Å; L264-F292 HydrophobicContact CB-CZ 4.35Å; L264-F292 HydrophobicContact CD1-CE1 4.44Å; L264-F292 HydrophobicContact CD1-CZ 4.35Å; L264-A294 PolarHBondContact N-O 3.17Å; L264-I295 HydrophobicContact CB-CG2 4.49Å; L264-I295 HydrophobicContact CD2-CG2 4.31Å; L264-V296 PolarHBondContact O-N 2.93Å
265	L	97.2	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	99.1	177.3	-180	68.5	0	0	0	110.5	F51 F263 V296 A299 K301 W304 F305 Y357	F51-L265 PolarHBondContact O-N 3.44Å; F263-L265 HydrophobicContact CD2-CB 4.31Å; F263-L265 HydrophobicContact CE2-CB 4.26Å; L265-V296 WeakPolarHBondContact CA-O 3.28Å; L265-V296 HydrophobicContact CD1-CB 3.67Å; L265-V296 HydrophobicContact CD1-CG1 3.64Å; L265-V296 HydrophobicContact CD1-CG2 4.45Å; L265-A299 HydrophobicContact CD1-CB 3.53Å; L265-A299 HydrophobicContact CG-CB 4.2Å; L265-K301 HydrophobicContact CD2-CD 4.12Å; L265-K301 HydrophobicContact CG-CD 4.19Å; L265-K301 PolarHBondContact O-NZ 3.37Å; L265-K301 VanDerWaalsContact O-NZ 3.09Å; L265-W304 HydrophobicContact CD1-CD2 3.78Å; L265-W304 VanDerWaalsContact CD1-CE2 3.5Å; L265-W304 HydrophobicContact CD1-CE3 4.22Å; L265-W304 HydrophobicContact CD1-CG 4.23Å; L265-W304 HydrophobicContact CD1-CH2 4.11Å; L265-W304 HydrophobicContact CD1-CZ2 3.68Å; L265-W304 HydrophobicContact CD1-CZ3 4.37Å; L265-W304 HydrophobicContact CD2-CD2 3.96Å; L265-W304 HydrophobicContact CD2-CE3 3.53Å; L265-W304 HydrophobicContact CD2-CH2 3.82Å; L265-W304 HydrophobicContact CD2-CZ2 4.24Å; L265-W304 HydrophobicContact CD2-CZ3 3.45Å; L265-W304 VanDerWaalsContact CD2-CZ3 3.45Å; L265-W304 HydrophobicContact CG-CD2 4.49Å; L265-F305 HydrophobicContact CD2-CE1 4.36Å; L265-F305 HydrophobicContact CD2-CE2 4.35Å; L265-F305 HydrophobicContact CD2-CZ 3.76Å; L265-Y357 HydrophobicContact CB-CE2 4.06Å; L265-Y357 HydrophobicContact CD2-CE2 3.91Å; L265-Y357 PolarHBondContact O-OH 2.95Å
266	T	97	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.			trans	-126.6	150.4	-174.8	-175.7	0	0	0	0	112.8	M53 S268 T273 V296 V297 D298 A299	M53-T266 HydrophobicContact CB-CG2 4.47Å; T266-S268 VanDerWaalsContact C-N 3.27Å; T266-S268 PolarHBondContact OG1-N 2.88Å; T266-S268 VanDerWaalsContact OG1-N 3.1Å; T266-T273 HydrophobicContact CG2-CG2 4.16Å; T266-V296 PolarHBondContact N-O 3.41Å; T266-V297 HydrophobicContact CG2-CB 4.43Å; T266-V297 HydrophobicContact CG2-CG1 4.07Å; T266-V297 CarbonylContact O-C 3.5Å; T266-V297 WeakPolarHBondContact O-CA 3.49Å; T266-D298 PolarHBondContact O-N 2.87Å; T266-D298 VanDerWaalsContact O-N 3.15Å; T266-A299 WeakPolarHBondContact O-CB 3.29Å; T266-A299 PolarHBondContact O-N 2.81Å
267	N	95.2	Very high	96.8	Very high	52 Å²	52	36.1 Å²	36.1	28%	0.278	20%	0.199	S	C	.	.	S	Bend	trans	-78.7	-11.9	169.2	-75.2	1	0	0	0	112.6	N300 K301	N267-N300 WeakPolarHBondContact OD1-CA 3.49Å; N267-N300 PolarHBondContact OD1-N 3.36Å; N267-K301 PolarHBondContact ND2-N 3.02Å; N267-K301 PolarHBondContact ND2-O 2.74Å; N267-K301 WeakPolarHBondContact OD1-CB 3.27Å; N267-K301 WeakPolarHBondContact OD1-CE 3.37Å; N267-K301 PolarHBondContact OD1-N 2.75Å
268	S	95.5	Very high	96.9	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.035	18%	0.18	C	C	.	.	S	Bend	trans	-74.1	143	179.1	-82	0	0	0	0	112.2	D54 T266 T273 V297 D298	D54-S268 PolarHBondContact OD2-OG 2.84Å; T266-S268 VanDerWaalsContact C-N 3.27Å; T266-S268 PolarHBondContact OG1-N 2.88Å; T266-S268 VanDerWaalsContact OG1-N 3.1Å; S268-T273 PolarHBondContact O-OG1 3.24Å; S268-V297 WeakPolarHBondContact O-CB 3.27Å; S268-D298 PolarHBondContact O-N 2.87Å
269	A	94.5	Very high	97	Very high	41 Å²	41	29.9 Å²	29.9	34%	0.339	17%	0.167	S	C	.	.			trans	-68.1	152.9	177.6	0	0	0	0	0	112.7	H271 Y272 T273 D298	A269-H271 PolarHBondContact O-N 3.47Å; A269-Y272 PolarHBondContact O-N 2.73Å; A269-Y272 VanDerWaalsContact O-N 3.13Å; A269-T273 PolarHBondContact O-N 3.37Å; A269-T273 PolarHBondContact O-OG1 2.99Å; A269-D298 WeakPolarHBondContact CA-OD1 3.46Å
270	Y	96.9	Very high	97.2	Very high	8 Å²	8	27 Å²	27	3%	0.031	14%	0.135	C	C	.	.	H	α-helix	trans	-51	-50	-172.4	-178.7	-104.4	0	0	0	114.5	Y272 T273 D274 R289 V297 I314 T316 A335	Y270-Y272 VanDerWaalsContact C-N 3.32Å; Y270-Y272 PolarHBondContact O-N 3.07Å; Y270-T273 PolarHBondContact O-N 2.85Å; Y270-D274 HydrophobicContact CE1-CB 4.34Å; Y270-D274 VanDerWaalsContact O-CB 3.31Å; Y270-D274 WeakPolarHBondContact O-CB 3.48Å; Y270-D274 PolarHBondContact O-N 3.4Å; Y270-R289 PolarHBondContact OH-NE 3.28Å; Y270-R289 PolarHBondContact OH-NH2 3.39Å; Y270-R289 VanDerWaalsContact OH-NH2 3.12Å; Y270-V297 HydrophobicContact CD2-CG1 4.44Å; Y270-I314 HydrophobicContact CD1-CG2 3.95Å; Y270-I314 HydrophobicContact CD2-CG2 4.01Å; Y270-I314 HydrophobicContact CE1-CG2 4.26Å; Y270-I314 HydrophobicContact CE2-CG2 4.33Å; Y270-I314 HydrophobicContact CG-CG2 3.79Å; Y270-T316 WeakPolarHBondContact OH-CB 3.48Å; Y270-T316 WeakPolarHBondContact OH-CG2 3.06Å; Y270-A335 HydrophobicContact CD2-CB 3.6Å; Y270-A335 HydrophobicContact CE2-CB 3.49Å; Y270-A335 VanDerWaalsContact CE2-CB 3.49Å
271	H	95.3	Very high	97.2	Very high	116 Å²	116	26.7 Å²	26.7	54%	0.537	13%	0.133	S	C	.	.	H	α-helix	trans	-61.2	-40.2	-176.9	177.6	-88	0	0	0	112.6	A269 K275	A269-H271 PolarHBondContact O-N 3.47Å; H271-K275 WeakPolarHBondContact O-CG 3.38Å; H271-K275 PolarHBondContact O-N 3.39Å
272	Y	96.1	Very high	97.2	Very high	11 Å²	11	24.6 Å²	24.6	4%	0.043	13%	0.126	C	C	.	.	H	α-helix	trans	-66.5	-48.6	176.5	-176.5	-100.3	0	0	0	110.7	M53 Y60 K231 L235 A269 Y270 D274 K275 V276	M53-Y272 HydrophobicContact CE-CD1 3.89Å; M53-Y272 HydrophobicContact CE-CE1 3.87Å; Y60-Y272 PolarHBondContact OH-OH 3.49Å; K231-Y272 HydrophobicContact CB-CD2 3.68Å; K231-Y272 HydrophobicContact CB-CE2 3.67Å; K231-Y272 HydrophobicContact CD-CD1 4.34Å; K231-Y272 HydrophobicContact CD-CD2 3.87Å; K231-Y272 HydrophobicContact CD-CE2 4.16Å; K231-Y272 HydrophobicContact CD-CG 3.97Å; K231-Y272 HydrophobicContact CG-CD2 3.84Å; K231-Y272 HydrophobicContact CG-CE2 3.68Å; K231-Y272 HydrophobicContact CG-CG 4.41Å; L235-Y272 HydrophobicContact CD1-CD2 3.92Å; L235-Y272 HydrophobicContact CD2-CD2 3.76Å; L235-Y272 HydrophobicContact CD2-CE2 3.83Å; L235-Y272 HydrophobicContact CG-CD2 3.8Å; L235-Y272 HydrophobicContact CG-CE2 3.97Å; A269-Y272 PolarHBondContact O-N 2.73Å; A269-Y272 VanDerWaalsContact O-N 3.13Å; Y270-Y272 VanDerWaalsContact C-N 3.32Å; Y270-Y272 PolarHBondContact O-N 3.07Å; Y272-D274 PolarHBondContact O-N 3.15Å; Y272-K275 PolarHBondContact O-N 3.44Å; Y272-V276 HydrophobicContact CD1-CG2 4.21Å; Y272-V276 HydrophobicContact CE1-CG2 3.83Å; Y272-V276 HydrophobicContact CE2-CG2 4.2Å; Y272-V276 WeakPolarHBondContact O-CG2 3.41Å; Y272-V276 PolarHBondContact O-N 3.33Å
273	T	97.8	Very high	96.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.6	-47.6	176.9	-59.3	0	0	0	0	111.6	M53 L264 T266 S268 A269 Y270 K275 V276 M277 W288 V297	M53-T273 HydrophobicContact SD-CG2 3.83Å; L264-T273 HydrophobicContact CD2-CG2 3.76Å; T266-T273 HydrophobicContact CG2-CG2 4.16Å; S268-T273 PolarHBondContact O-OG1 3.24Å; A269-T273 PolarHBondContact O-N 3.37Å; A269-T273 PolarHBondContact O-OG1 2.99Å; Y270-T273 PolarHBondContact O-N 2.85Å; T273-K275 PolarHBondContact O-N 3.32Å; T273-V276 PolarHBondContact O-N 3.05Å; T273-M277 HydrophobicContact CG2-CG 3.96Å; T273-M277 VanDerWaalsContact O-CB 3.24Å; T273-M277 WeakPolarHBondContact O-CB 3.29Å; T273-M277 WeakPolarHBondContact O-CG 3.34Å; T273-M277 PolarHBondContact O-N 3.37Å; T273-W288 HydrophobicContact CG2-CH2 4.07Å; T273-V297 HydrophobicContact CG2-CG1 4.05Å
274	D	97.6	Very high	96	Very high	26 Å²	26	36 Å²	36	14%	0.139	19%	0.19	C	C	.	.	H	α-helix	trans	-60.1	-44.1	-178.7	-171.9	60.9	0	0	0	111.7	Y270 Y272 T278 W288 R289	Y270-D274 HydrophobicContact CE1-CB 4.34Å; Y270-D274 VanDerWaalsContact O-CB 3.31Å; Y270-D274 WeakPolarHBondContact O-CB 3.48Å; Y270-D274 PolarHBondContact O-N 3.4Å; Y272-D274 PolarHBondContact O-N 3.15Å; D274-T278 WeakPolarHBondContact O-CB 3.38Å; D274-T278 PolarHBondContact O-N 3.37Å; D274-T278 PolarHBondContact O-OG1 3.3Å; D274-W288 HydrophobicContact CB-CZ2 4.33Å; D274-W288 PolarHBondContact OD1-NE1 3Å; D274-R289 IonicContact OD1-CZ 3.47Å; D274-R289 IonicContact OD1-NE 2.72Å; D274-R289 PolarHBondContact OD1-NE 2.84Å; D274-R289 IonicContact OD1-NH2 2.75Å; D274-R289 PolarHBondContact OD1-NH2 2.85Å; D274-R289 IonicContact OD2-NH2 3.59Å
275	K	97.8	Very high	95.5	Very high	99 Å²	99	43.9 Å²	43.9	43%	0.43	23%	0.233	S	C	.	.	H	α-helix	trans	-67.9	-44.2	177.8	-66.9	-65.7	-176.4	-172.9	0	112.9	L235 H271 Y272 T273 Y279	L235-K275 HydrophobicContact CD1-CB 4.23Å; L235-K275 HydrophobicContact CD1-CG 4.22Å; L235-K275 HydrophobicContact CD2-CB 3.56Å; L235-K275 HydrophobicContact CD2-CG 4.42Å; L235-K275 HydrophobicContact CG-CB 4.46Å; H271-K275 WeakPolarHBondContact O-CG 3.38Å; H271-K275 PolarHBondContact O-N 3.39Å; Y272-K275 PolarHBondContact O-N 3.44Å; T273-K275 PolarHBondContact O-N 3.32Å; K275-Y279 PolarHBondContact O-N 2.85Å; K275-Y279 VanDerWaalsContact O-N 3.1Å
276	V	98.6	Very high	95.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.7	-47.2	178.1	171.8	0	0	0	0	110.6	M53 A58 L235 L238 I242 Y272 T273 Y279 L280	M53-V276 HydrophobicContact SD-CB 4.17Å; M53-V276 HydrophobicContact SD-CG1 4.03Å; A58-V276 HydrophobicContact CB-CG1 3.79Å; L235-V276 HydrophobicContact CD2-CG2 3.98Å; L238-V276 HydrophobicContact CD2-CG2 4.31Å; I242-V276 HydrophobicContact CD1-CB 4.46Å; I242-V276 HydrophobicContact CD1-CG1 3.91Å; I242-V276 HydrophobicContact CD1-CG2 3.85Å; Y272-V276 HydrophobicContact CD1-CG2 4.21Å; Y272-V276 HydrophobicContact CE1-CG2 3.83Å; Y272-V276 HydrophobicContact CE2-CG2 4.2Å; Y272-V276 WeakPolarHBondContact O-CG2 3.41Å; Y272-V276 PolarHBondContact O-N 3.33Å; T273-V276 PolarHBondContact O-N 3.05Å; V276-Y279 WeakPolarHBondContact O-CB 3.28Å; V276-Y279 PolarHBondContact O-N 2.86Å; V276-L280 HydrophobicContact CG1-CD1 3.91Å; V276-L280 HydrophobicContact CG1-CG 4.45Å; V276-L280 WeakPolarHBondContact O-CG 3.46Å; V276-L280 PolarHBondContact O-N 3.01Å
277	M	98.5	Very high	95.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.6	-34.4	-178.1	-64.9	-54.9	-69.9	0	0	112.6	M53 L57 L264 T273 Y279 L280 L281 W288 F292	M53-M277 HydrophobicContact CG-SD 3.8Å; M53-M277 HydrophobicContact SD-CG 3.97Å; M53-M277 HydrophobicContact SD-SD 3.96Å; L57-M277 HydrophobicContact CD1-CE 3.98Å; L264-M277 HydrophobicContact CD2-CE 4.45Å; L264-M277 HydrophobicContact CD2-CG 4.26Å; T273-M277 HydrophobicContact CG2-CG 3.96Å; T273-M277 VanDerWaalsContact O-CB 3.24Å; T273-M277 WeakPolarHBondContact O-CB 3.29Å; T273-M277 WeakPolarHBondContact O-CG 3.34Å; T273-M277 PolarHBondContact O-N 3.37Å; M277-Y279 VanDerWaalsContact C-N 3.34Å; M277-L280 PolarHBondContact O-N 3.22Å; M277-L280 HydrophobicContact SD-CD1 4.23Å; M277-L281 HydrophobicContact CE-CD1 3.38Å; M277-L281 HydrophobicContact CE-CG 4.06Å; M277-L281 WeakPolarHBondContact O-CB 3.27Å; M277-L281 PolarHBondContact O-N 3.03Å; M277-W288 HydrophobicContact CB-CB 4.17Å; M277-W288 HydrophobicContact CB-CD2 3.34Å; M277-W288 HydrophobicContact CB-CE3 3.53Å; M277-W288 HydrophobicContact CB-CG 3.66Å; M277-W288 HydrophobicContact CB-CH2 4.31Å; M277-W288 HydrophobicContact CB-CZ2 4.2Å; M277-W288 HydrophobicContact CB-CZ3 4.01Å; M277-W288 HydrophobicContact CE-CE3 4.26Å; M277-W288 HydrophobicContact CG-CD2 4.25Å; M277-W288 HydrophobicContact CG-CE3 3.97Å; M277-W288 HydrophobicContact CG-CH2 4.33Å; M277-W288 HydrophobicContact CG-CZ3 4.01Å; M277-F292 HydrophobicContact CE-CE2 3.65Å; M277-F292 HydrophobicContact CE-CZ 3.71Å
278	T	97.6	Very high	95.4	Very high	48 Å²	48	47.6 Å²	47.6	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-57.2	-49.4	168.6	-63.4	0	0	0	0	110.1	D274 L280 D282	D274-T278 WeakPolarHBondContact O-CB 3.38Å; D274-T278 PolarHBondContact O-N 3.37Å; D274-T278 PolarHBondContact O-OG1 3.3Å; T278-L280 VanDerWaalsContact C-N 3.32Å; T278-L280 PolarHBondContact O-N 2.66Å; T278-D282 HydrophobicContact CG2-CB 4.04Å; T278-D282 VanDerWaalsContact O-CB 3.3Å; T278-D282 WeakPolarHBondContact O-CB 3.43Å; T278-D282 PolarHBondContact O-N 3.3Å
279	Y	98	Very high	95.5	Very high	52 Å²	52	49.5 Å²	49.5	20%	0.204	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-39.1	178.7	168.3	-103.7	0	0	0	113.1	L238 E239 I242 K244 K275 V276 M277	L238-Y279 HydrophobicContact CB-CD1 4.22Å; L238-Y279 HydrophobicContact CB-CD2 4.09Å; L238-Y279 HydrophobicContact CB-CE1 4.37Å; L238-Y279 HydrophobicContact CB-CE2 4.26Å; L238-Y279 HydrophobicContact CB-CG 4.07Å; L238-Y279 HydrophobicContact CD1-CD2 4.44Å; L238-Y279 HydrophobicContact CD1-CG 4.17Å; E239-Y279 WeakPolarHBondContact CA-OH 3.4Å; I242-Y279 HydrophobicContact CB-CD1 4.5Å; I242-Y279 HydrophobicContact CB-CE1 4.05Å; I242-Y279 HydrophobicContact CG2-CD1 4.35Å; I242-Y279 HydrophobicContact CG2-CE1 4.07Å; I242-Y279 PolarHBondContact O-OH 3.26Å; K244-Y279 HydrophobicContact CB-CE1 3.9Å; K244-Y279 HydrophobicContact CD-CE2 4.3Å; K244-Y279 WeakPolarHBondContact CD-O 3.26Å; K244-Y279 WeakPolarHBondContact CE-O 3.13Å; K244-Y279 PolarHBondContact NZ-O 3.1Å; K275-Y279 PolarHBondContact O-N 2.85Å; K275-Y279 VanDerWaalsContact O-N 3.1Å; V276-Y279 WeakPolarHBondContact O-CB 3.28Å; V276-Y279 PolarHBondContact O-N 2.86Å; M277-Y279 VanDerWaalsContact C-N 3.34Å
280	L	98	Very high	95.6	Very high	4 Å²	4	49 Å²	49	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-75.7	-43.6	-178.6	-68.7	175.2	0	0	0	113.4	A58 I242 K244 V276 M277 T278	A58-L280 HydrophobicContact CB-CD1 3.7Å; I242-L280 HydrophobicContact CG2-CD2 3.93Å; K244-L280 HydrophobicContact CB-CD2 4.41Å; K244-L280 HydrophobicContact CG-CD2 4.48Å; V276-L280 HydrophobicContact CG1-CD1 3.91Å; V276-L280 HydrophobicContact CG1-CG 4.45Å; V276-L280 WeakPolarHBondContact O-CG 3.46Å; V276-L280 PolarHBondContact O-N 3.01Å; M277-L280 PolarHBondContact O-N 3.22Å; M277-L280 HydrophobicContact SD-CD1 4.23Å; T278-L280 VanDerWaalsContact C-N 3.32Å; T278-L280 PolarHBondContact O-N 2.66Å
281	L	98.1	Very high	95.6	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-122.3	-19.5	-162.5	-56.1	-173.5	0	0	0	115.8	I248 P249 L252 M277 G283 W288 Y291 F292	I248-L281 HydrophobicContact CB-CD2 4.07Å; I248-L281 HydrophobicContact CG2-CD2 3.62Å; P249-L281 HydrophobicContact CG-CD2 3.83Å; L252-L281 HydrophobicContact CD1-CD1 3.75Å; L252-L281 HydrophobicContact CD1-CD2 4.29Å; M277-L281 HydrophobicContact CE-CD1 3.38Å; M277-L281 HydrophobicContact CE-CG 4.06Å; M277-L281 WeakPolarHBondContact O-CB 3.27Å; M277-L281 PolarHBondContact O-N 3.03Å; L281-G283 PolarHBondContact O-N 3.34Å; L281-W288 HydrophobicContact CB-CB 3.71Å; L281-W288 HydrophobicContact CD1-CB 4.31Å; L281-W288 HydrophobicContact CG-CB 4.5Å; L281-Y291 HydrophobicContact CB-CD2 4.06Å; L281-Y291 HydrophobicContact CB-CE2 3.87Å; L281-Y291 HydrophobicContact CD1-CD2 4.01Å; L281-Y291 HydrophobicContact CD1-CG 4.35Å; L281-Y291 WeakPolarHBondContact O-CE2 3.41Å; L281-F292 HydrophobicContact CD1-CE2 3.83Å; L281-F292 HydrophobicContact CD1-CZ 4.13Å
282	D	96.3	Very high	95.7	Very high	50 Å²	50	43.9 Å²	43.9	27%	0.267	22%	0.224	S	C	.	.			trans	-63.7	128.4	177.5	-82	29.3	0	0	0	109.2	T278 R286 N287 W288	T278-D282 HydrophobicContact CG2-CB 4.04Å; T278-D282 VanDerWaalsContact O-CB 3.3Å; T278-D282 WeakPolarHBondContact O-CB 3.43Å; T278-D282 PolarHBondContact O-N 3.3Å; D282-R286 WeakPolarHBondContact CA-O 3.39Å; D282-N287 PolarHBondContact OD2-ND2 3.14Å; D282-W288 WeakPolarHBondContact OD1-CA 3.38Å; D282-W288 WeakPolarHBondContact OD1-CB 3.39Å; D282-W288 PolarHBondContact OD1-N 3.44Å
283	G	89.7	Confident	95.8	Very high	43 Å²	43	45.7 Å²	45.7	44%	0.443	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-110.3	178.2	168.3	0	0	0	0	0	110.2	L281 N285 R286	L281-G283 PolarHBondContact O-N 3.34Å; G283-N285 PolarHBondContact O-N 3.48Å; G283-R286 PolarHBondContact N-O 3.27Å; G283-R286 PolarHBondContact O-N 2.95Å
284	E	82.5	Confident	95.7	Very high	197 Å²	197	45.8 Å²	45.8	92%	0.921	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-35.8	-174.5	-66.1	-177.8	168.3	0	0	114
285	N	86.5	Confident	95.8	Very high	166 Å²	166	44.6 Å²	44.6	89%	0.888	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.4	22.4	-178.2	-65.2	-52.6	0	0	0	113.5	G283	G283-N285 PolarHBondContact O-N 3.48Å
286	R	94.3	Very high	95.8	Very high	73 Å²	73	39.9 Å²	39.9	28%	0.275	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-141.2	119	-177.4	-171.9	173.1	-178.3	-175	0.5	111.7	D253 D282 G283 S290 Y291	D253-R286 IonicContact OD1-CZ 3.97Å; D253-R286 IonicContact OD1-NH1 2.7Å; D253-R286 PolarHBondContact OD1-NH1 2.96Å; D253-R286 IonicContact OD1-NH2 3.9Å; D253-R286 PolarHBondContact OD1-NH2 3.35Å; D253-R286 IonicContact OD2-CZ 3.75Å; D253-R286 IonicContact OD2-NH1 2.82Å; D253-R286 PolarHBondContact OD2-NH1 2.8Å; D282-R286 WeakPolarHBondContact CA-O 3.39Å; G283-R286 PolarHBondContact N-O 3.27Å; G283-R286 PolarHBondContact O-N 2.95Å; R286-S290 WeakPolarHBondContact CG-OG 3.3Å; R286-S290 PolarHBondContact NE-OG 3.47Å; R286-Y291 HydrophobicContact CG-CE2 4.17Å; R286-Y291 VanDerWaalsContact NH2-CD1 3.26Å
287	N	95.6	Very high	95.7	Very high	58 Å²	58	39.9 Å²	39.9	31%	0.31	21%	0.208	S	C	.	.			trans	-79.8	143	173.8	-177.2	-99.4	0	0	0	111.3	D282 R289 S290	D282-N287 PolarHBondContact OD2-ND2 3.14Å; N287-R289 PolarHBondContact O-N 2.96Å; N287-R289 VanDerWaalsContact O-N 3.13Å; N287-R289 VanDerWaalsContact OD1-CB 3.25Å; N287-R289 WeakPolarHBondContact OD1-CB 3.29Å; N287-R289 VanDerWaalsContact OD1-CG 3.22Å; N287-R289 WeakPolarHBondContact OD1-CG 3.4Å; N287-R289 PolarHBondContact OD1-N 2.99Å; N287-R289 VanDerWaalsContact OD1-N 3.08Å; N287-S290 VanDerWaalsContact O-CB 3.3Å; N287-S290 WeakPolarHBondContact O-CB 3.29Å; N287-S290 PolarHBondContact O-N 3.35Å; N287-S290 PolarHBondContact O-OG 3.45Å
288	W	97.8	Very high	95.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-57.9	-31	-175.7	72.5	-94.5	0	0	0	112.7	L264 T273 D274 M277 L281 D282 S290 Y291 F292 I295	L264-W288 HydrophobicContact CD2-CH2 4.28Å; L264-W288 HydrophobicContact CD2-CZ3 3.86Å; T273-W288 HydrophobicContact CG2-CH2 4.07Å; D274-W288 HydrophobicContact CB-CZ2 4.33Å; D274-W288 PolarHBondContact OD1-NE1 3Å; M277-W288 HydrophobicContact CB-CB 4.17Å; M277-W288 HydrophobicContact CB-CD2 3.34Å; M277-W288 HydrophobicContact CB-CE3 3.53Å; M277-W288 HydrophobicContact CB-CG 3.66Å; M277-W288 HydrophobicContact CB-CH2 4.31Å; M277-W288 HydrophobicContact CB-CZ2 4.2Å; M277-W288 HydrophobicContact CB-CZ3 4.01Å; M277-W288 HydrophobicContact CE-CE3 4.26Å; M277-W288 HydrophobicContact CG-CD2 4.25Å; M277-W288 HydrophobicContact CG-CE3 3.97Å; M277-W288 HydrophobicContact CG-CH2 4.33Å; M277-W288 HydrophobicContact CG-CZ3 4.01Å; L281-W288 HydrophobicContact CB-CB 3.71Å; L281-W288 HydrophobicContact CD1-CB 4.31Å; L281-W288 HydrophobicContact CG-CB 4.5Å; D282-W288 WeakPolarHBondContact OD1-CA 3.38Å; D282-W288 WeakPolarHBondContact OD1-CB 3.39Å; D282-W288 PolarHBondContact OD1-N 3.44Å; W288-S290 PolarHBondContact O-N 3.13Å; W288-S290 VanDerWaalsContact O-N 3.13Å; W288-Y291 WeakPolarHBondContact O-CD2 3.36Å; W288-Y291 PolarHBondContact O-N 3.21Å; W288-Y291 VanDerWaalsContact O-N 3.1Å; W288-F292 AromaticContact CE3-CD2 3.93Å; W288-F292 HydrophobicContact CE3-CD2 3.93Å; W288-F292 AromaticContact CE3-CE2 3.87Å; W288-F292 HydrophobicContact CE3-CE2 3.87Å; W288-F292 HydrophobicContact CZ3-CD2 4.04Å; W288-F292 HydrophobicContact CZ3-CE2 4.15Å; W288-I295 HydrophobicContact CE3-CD1 4.43Å; W288-I295 HydrophobicContact CH2-CD1 3.87Å; W288-I295 HydrophobicContact CH2-CG1 4.47Å; W288-I295 HydrophobicContact CH2-CG2 3.92Å; W288-I295 HydrophobicContact CZ3-CD1 3.68Å; W288-I295 HydrophobicContact CZ3-CG1 4.15Å; W288-I295 HydrophobicContact CZ3-CG2 4.26Å
289	R	97.2	Very high	95.5	Very high	45 Å²	45	40.6 Å²	40.6	17%	0.17	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-66.8	-14.2	179.2	-55.9	174.8	-153.7	140	5.9	112.6	Y270 D274 N287 Y291 I295 H333	Y270-R289 PolarHBondContact OH-NE 3.28Å; Y270-R289 PolarHBondContact OH-NH2 3.39Å; Y270-R289 VanDerWaalsContact OH-NH2 3.12Å; D274-R289 IonicContact OD1-CZ 3.47Å; D274-R289 IonicContact OD1-NE 2.72Å; D274-R289 PolarHBondContact OD1-NE 2.84Å; D274-R289 IonicContact OD1-NH2 2.75Å; D274-R289 PolarHBondContact OD1-NH2 2.85Å; D274-R289 IonicContact OD2-NH2 3.59Å; N287-R289 PolarHBondContact O-N 2.96Å; N287-R289 VanDerWaalsContact O-N 3.13Å; N287-R289 VanDerWaalsContact OD1-CB 3.25Å; N287-R289 WeakPolarHBondContact OD1-CB 3.29Å; N287-R289 VanDerWaalsContact OD1-CG 3.22Å; N287-R289 WeakPolarHBondContact OD1-CG 3.4Å; N287-R289 PolarHBondContact OD1-N 2.99Å; N287-R289 VanDerWaalsContact OD1-N 3.08Å; R289-Y291 VanDerWaalsContact C-N 3.33Å; R289-I295 HydrophobicContact CB-CD1 3.74Å; R289-I295 HydrophobicContact CG-CD1 3.85Å; R289-H333 HydrophobicContact CB-CB 4.2Å; R289-H333 WeakPolarHBondContact CD-O 3.25Å; R289-H333 PolarHBondContact O-ND1 3.2Å
290	S	96.7	Very high	95.3	Very high	29 Å²	29	42.2 Å²	42.2	20%	0.203	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-78.2	-14.8	174.8	71.7	0	0	0	0	114	R286 N287 W288 F292	R286-S290 WeakPolarHBondContact CG-OG 3.3Å; R286-S290 PolarHBondContact NE-OG 3.47Å; N287-S290 VanDerWaalsContact O-CB 3.3Å; N287-S290 WeakPolarHBondContact O-CB 3.29Å; N287-S290 PolarHBondContact O-N 3.35Å; N287-S290 PolarHBondContact O-OG 3.45Å; W288-S290 PolarHBondContact O-N 3.13Å; W288-S290 VanDerWaalsContact O-N 3.13Å; S290-F292 PolarHBondContact O-N 3.2Å
291	Y	97.9	Very high	95	Very high	13 Å²	13	42.7 Å²	42.7	5%	0.051	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-79.7	-6.2	174.6	-66.4	-87	0	0	0	113.1	P249 L252 T262 L281 R286 W288 R289	P249-Y291 HydrophobicContact CB-CE1 3.98Å; L252-Y291 HydrophobicContact CB-CD1 3.77Å; L252-Y291 HydrophobicContact CB-CG 4.4Å; L252-Y291 HydrophobicContact CD1-CD1 4.16Å; L252-Y291 HydrophobicContact CD1-CG 4.1Å; T262-Y291 WeakPolarHBondContact CB-O 3.42Å; T262-Y291 PolarHBondContact OG1-O 3.49Å; L281-Y291 HydrophobicContact CB-CD2 4.06Å; L281-Y291 HydrophobicContact CB-CE2 3.87Å; L281-Y291 HydrophobicContact CD1-CD2 4.01Å; L281-Y291 HydrophobicContact CD1-CG 4.35Å; L281-Y291 WeakPolarHBondContact O-CE2 3.41Å; R286-Y291 HydrophobicContact CG-CE2 4.17Å; R286-Y291 VanDerWaalsContact NH2-CD1 3.26Å; W288-Y291 WeakPolarHBondContact O-CD2 3.36Å; W288-Y291 PolarHBondContact O-N 3.21Å; W288-Y291 VanDerWaalsContact O-N 3.1Å; R289-Y291 VanDerWaalsContact C-N 3.33Å
292	F	98	Very high	94.6	Very high	5 Å²	5	44.7 Å²	44.7	2%	0.022	24%	0.237	C	C	.	.			trans	-128.9	131.6	-173.8	-57.5	-77.5	0	0	0	111.1	L57 L252 T262 L264 M277 L281 W288 S290 A294 I295	L57-F292 HydrophobicContact CD1-CE1 4.4Å; L57-F292 HydrophobicContact CD1-CZ 3.98Å; L252-F292 HydrophobicContact CD1-CE1 4.38Å; L252-F292 HydrophobicContact CD1-CZ 3.94Å; L252-F292 HydrophobicContact CD2-CE1 4.19Å; T262-F292 CarbonylContact O-C 3.58Å; L264-F292 HydrophobicContact CB-CD1 3.99Å; L264-F292 HydrophobicContact CB-CE1 4.03Å; L264-F292 HydrophobicContact CB-CG 4.26Å; L264-F292 HydrophobicContact CB-CZ 4.35Å; L264-F292 HydrophobicContact CD1-CE1 4.44Å; L264-F292 HydrophobicContact CD1-CZ 4.35Å; M277-F292 HydrophobicContact CE-CE2 3.65Å; M277-F292 HydrophobicContact CE-CZ 3.71Å; L281-F292 HydrophobicContact CD1-CE2 3.83Å; L281-F292 HydrophobicContact CD1-CZ 4.13Å; W288-F292 AromaticContact CE3-CD2 3.93Å; W288-F292 HydrophobicContact CE3-CD2 3.93Å; W288-F292 AromaticContact CE3-CE2 3.87Å; W288-F292 HydrophobicContact CE3-CE2 3.87Å; W288-F292 HydrophobicContact CZ3-CD2 4.04Å; W288-F292 HydrophobicContact CZ3-CE2 4.15Å; S290-F292 PolarHBondContact O-N 3.2Å; F292-A294 VanDerWaalsContact C-N 3.3Å; F292-I295 HydrophobicContact CB-CD1 4.25Å; F292-I295 HydrophobicContact CB-CG1 3.71Å; F292-I295 HydrophobicContact CD2-CG1 4.39Å; F292-I295 HydrophobicContact CG-CG1 4.26Å
293	D	96.8	Very high	94.4	Very high	48 Å²	48	44.7 Å²	44.7	26%	0.257	24%	0.237	S	C	.	.	S	Bend	trans	-76.1	-23.3	171.1	-56.2	-73.9	0	0	0	111.8	R256 K261 T262	R256-D293 IonicContact CZ-OD1 3.91Å; R256-D293 IonicContact NH1-OD1 3.57Å; R256-D293 PolarHBondContact NH1-OD1 3.19Å; R256-D293 IonicContact NH1-OD2 3.13Å; R256-D293 PolarHBondContact NH1-OD2 3.34Å; R256-D293 IonicContact NH2-OD1 2.67Å; K261-D293 WeakPolarHBondContact CA-OD2 3.41Å; K261-D293 HydrophobicContact CB-CB 4.29Å; K261-D293 VanDerWaalsContact CB-OD2 3.24Å; K261-D293 WeakPolarHBondContact CB-OD2 3.31Å; K261-D293 HydrophobicContact CD-CB 4.46Å; K261-D293 HydrophobicContact CG-CB 4.43Å; T262-D293 PolarHBondContact N-OD2 3.02Å; T262-D293 PolarHBondContact O-N 3.02Å
294	A	97.1	Very high	94.6	Very high	2 Å²	2	42.6 Å²	42.6	2%	0.017	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	141.6	173.9	0	0	0	0	0	111.7	F263 L264 F292 L330 F344 L348	F263-A294 CarbonylContact C-O 3.52Å; F263-A294 WeakPolarHBondContact CA-O 3.3Å; F263-A294 HydrophobicContact CB-CB 3.96Å; F263-A294 VanDerWaalsContact CB-O 3.29Å; F263-A294 WeakPolarHBondContact CB-O 3.48Å; L264-A294 PolarHBondContact N-O 3.17Å; F292-A294 VanDerWaalsContact C-N 3.3Å; A294-L330 HydrophobicContact CB-CD1 3.84Å; A294-F344 HydrophobicContact CB-CE2 3.7Å; A294-F344 HydrophobicContact CB-CZ 3.78Å; A294-L348 HydrophobicContact CB-CD1 4.49Å
295	I	98.3	Very high	94.9	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	119.4	180	-62.8	163.4	0	0	0	107.9	L264 W288 R289 F292 V297 A335 Y336	L264-I295 HydrophobicContact CB-CG2 4.49Å; L264-I295 HydrophobicContact CD2-CG2 4.31Å; W288-I295 HydrophobicContact CE3-CD1 4.43Å; W288-I295 HydrophobicContact CH2-CD1 3.87Å; W288-I295 HydrophobicContact CH2-CG1 4.47Å; W288-I295 HydrophobicContact CH2-CG2 3.92Å; W288-I295 HydrophobicContact CZ3-CD1 3.68Å; W288-I295 HydrophobicContact CZ3-CG1 4.15Å; W288-I295 HydrophobicContact CZ3-CG2 4.26Å; R289-I295 HydrophobicContact CB-CD1 3.74Å; R289-I295 HydrophobicContact CG-CD1 3.85Å; F292-I295 HydrophobicContact CB-CD1 4.25Å; F292-I295 HydrophobicContact CB-CG1 3.71Å; F292-I295 HydrophobicContact CD2-CG1 4.39Å; F292-I295 HydrophobicContact CG-CG1 4.26Å; I295-V297 HydrophobicContact CG2-CG1 4.34Å; I295-A335 HydrophobicContact CB-CB 4.2Å; I295-A335 HydrophobicContact CG2-CB 3.8Å; I295-Y336 PolarHBondContact O-N 3.12Å
296	V	98.1	Very high	94.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.7	177.2	-175.3	0	0	0	0	109.4	L264 L265 T266 A299 F311 Y336 G338 F344	L264-V296 PolarHBondContact O-N 2.93Å; L265-V296 WeakPolarHBondContact CA-O 3.28Å; L265-V296 HydrophobicContact CD1-CB 3.67Å; L265-V296 HydrophobicContact CD1-CG1 3.64Å; L265-V296 HydrophobicContact CD1-CG2 4.45Å; T266-V296 PolarHBondContact N-O 3.41Å; V296-A299 HydrophobicContact CG1-CB 4.32Å; V296-F311 HydrophobicContact CG2-CE2 4.17Å; V296-Y336 CarbonylContact C-O 3.44Å; V296-Y336 VanDerWaalsContact CA-O 3.29Å; V296-Y336 WeakPolarHBondContact CA-O 3.36Å; V296-G338 WeakPolarHBondContact CG1-O 3.48Å; V296-F344 HydrophobicContact CG2-CD2 3.79Å; V296-F344 HydrophobicContact CG2-CE2 3.55Å; V296-F344 HydrophobicContact CG2-CZ 4.39Å
297	V	97.8	Very high	94.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	170.9	174.5	-62.1	0	0	0	0	109.9	T266 S268 Y270 T273 I295 A299 I314 Y336 A337 G338	T266-V297 HydrophobicContact CG2-CB 4.43Å; T266-V297 HydrophobicContact CG2-CG1 4.07Å; T266-V297 CarbonylContact O-C 3.5Å; T266-V297 WeakPolarHBondContact O-CA 3.49Å; S268-V297 WeakPolarHBondContact O-CB 3.27Å; Y270-V297 HydrophobicContact CD2-CG1 4.44Å; T273-V297 HydrophobicContact CG2-CG1 4.05Å; I295-V297 HydrophobicContact CG2-CG1 4.34Å; V297-A299 PolarHBondContact O-N 3.13Å; V297-I314 HydrophobicContact CG2-CD1 4.35Å; V297-I314 HydrophobicContact CG2-CG1 4.05Å; V297-Y336 VanDerWaalsContact CG2-O 3.25Å; V297-Y336 WeakPolarHBondContact CG2-O 3.24Å; V297-Y336 PolarHBondContact N-O 3.06Å; V297-A337 HydrophobicContact CG2-CB 4.17Å; V297-A337 VanDerWaalsContact O-CA 3.27Å; V297-A337 WeakPolarHBondContact O-CA 3.38Å; V297-G338 PolarHBondContact O-N 2.88Å
298	D	95.9	Very high	94.4	Very high	64 Å²	64	28.3 Å²	28.3	34%	0.342	15%	0.153	S	C	.	.	S	Bend	trans	46.2	36.4	179.2	-62.5	-60.6	0	0	0	113	T266 S268 A269 N300 A337 G338	T266-D298 PolarHBondContact O-N 2.87Å; T266-D298 VanDerWaalsContact O-N 3.15Å; S268-D298 PolarHBondContact O-N 2.87Å; A269-D298 WeakPolarHBondContact CA-OD1 3.46Å; D298-N300 PolarHBondContact O-N 3Å; D298-A337 HydrophobicContact CB-CB 4.28Å; D298-G338 WeakPolarHBondContact O-CA 3.32Å; D298-G338 PolarHBondContact O-N 2.89Å
299	A	95.3	Very high	94.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.			trans	-63.9	-29.2	-171.4	0	0	0	0	0	112.2	L265 T266 V296 V297 K301 W304	L265-A299 HydrophobicContact CD1-CB 3.53Å; L265-A299 HydrophobicContact CG-CB 4.2Å; T266-A299 WeakPolarHBondContact O-CB 3.29Å; T266-A299 PolarHBondContact O-N 2.81Å; V296-A299 HydrophobicContact CG1-CB 4.32Å; V297-A299 PolarHBondContact O-N 3.13Å; A299-K301 HydrophobicContact CB-CG 4.19Å; A299-W304 HydrophobicContact CB-CB 4.31Å; A299-W304 HydrophobicContact CB-CG 4.06Å; A299-W304 VanDerWaalsContact O-CB 3.31Å; A299-W304 WeakPolarHBondContact O-CB 3.41Å
300	N	92.9	Very high	94.2	Very high	85 Å²	85	32.1 Å²	32.1	46%	0.455	18%	0.181	S	C	.	.			trans	62	37.4	-177.1	-157.4	12.6	0	0	0	113.2	N267 D298 L303	N267-N300 WeakPolarHBondContact OD1-CA 3.49Å; N267-N300 PolarHBondContact OD1-N 3.36Å; D298-N300 PolarHBondContact O-N 3Å; N300-L303 HydrophobicContact CB-CB 4.49Å; N300-L303 WeakPolarHBondContact O-CA 3.39Å; N300-L303 WeakPolarHBondContact O-CB 3.43Å; N300-L303 PolarHBondContact O-N 3.22Å
301	K	92.2	Very high	94.1	Very high	14 Å²	14	31.1 Å²	31.1	6%	0.061	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	136.8	170.4	-61	175.3	-67.1	179	0	109.7	D52 L265 N267 A299 W304 F305 Y357 D365	D52-K301 IonicContact OD1-NZ 2.65Å; D52-K301 PolarHBondContact OD1-NZ 3.06Å; D52-K301 IonicContact OD2-NZ 3.87Å; D52-K301 PolarHBondContact OD2-NZ 3.04Å; L265-K301 HydrophobicContact CD2-CD 4.12Å; L265-K301 HydrophobicContact CG-CD 4.19Å; L265-K301 PolarHBondContact O-NZ 3.37Å; L265-K301 VanDerWaalsContact O-NZ 3.09Å; N267-K301 PolarHBondContact ND2-N 3.02Å; N267-K301 PolarHBondContact ND2-O 2.74Å; N267-K301 WeakPolarHBondContact OD1-CB 3.27Å; N267-K301 WeakPolarHBondContact OD1-CE 3.37Å; N267-K301 PolarHBondContact OD1-N 2.75Å; A299-K301 HydrophobicContact CB-CG 4.19Å; K301-W304 HydrophobicContact CG-CB 4.05Å; K301-F305 HydrophobicContact CD-CE2 3.77Å; K301-F305 HydrophobicContact CD-CZ 4.49Å; K301-F305 HydrophobicContact CG-CD2 4.24Å; K301-F305 HydrophobicContact CG-CE2 3.88Å; K301-Y357 WeakPolarHBondContact CD-OH 3.38Å; K301-Y357 PolarHBondContact NZ-OH 3.46Å; K301-D365 WeakPolarHBondContact CD-OD1 3.41Å; K301-D365 WeakPolarHBondContact CE-OD1 3.09Å; K301-D365 IonicContact NZ-OD1 2.73Å; K301-D365 PolarHBondContact NZ-OD1 3.43Å
302	P	90.8	Very high	94.1	Very high	46 Å²	46	34.3 Å²	34.3	30%	0.299	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	cis	-80.4	-10	9.8	30.3	-35.3	0	0	0	115.7	W304 F305 F363 R368	P302-W304 PolarHBondContact O-N 3.34Å; P302-F305 PolarHBondContact O-N 3.43Å; P302-F363 HydrophobicContact CB-CD1 4.5Å; P302-F363 HydrophobicContact CB-CE1 4.35Å; P302-F363 HydrophobicContact CG-CD1 4.25Å; P302-F363 HydrophobicContact CG-CE1 3.92Å; P302-R368 HydrophobicContact CB-CG 3.92Å
303	L	91.4	Very high	94	Very high	49 Å²	49	35.6 Å²	35.6	26%	0.257	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-54.5	-39	-175	-166.9	68.2	0	0	0	111.5	N300 F305 A306 E307 G308 T309	N300-L303 HydrophobicContact CB-CB 4.49Å; N300-L303 WeakPolarHBondContact O-CA 3.39Å; N300-L303 WeakPolarHBondContact O-CB 3.43Å; N300-L303 PolarHBondContact O-N 3.22Å; L303-F305 PolarHBondContact O-N 2.9Å; L303-A306 CarbonylContact O-C 3.59Å; L303-A306 WeakPolarHBondContact O-CA 3.48Å; L303-A306 PolarHBondContact O-N 3.03Å; L303-E307 HydrophobicContact CD1-CG 3.68Å; L303-E307 WeakPolarHBondContact CD1-OE1 3.27Å; L303-E307 HydrophobicContact CG-CG 4.36Å; L303-E307 PolarHBondContact O-N 3.23Å; L303-G308 VanDerWaalsContact O-CA 3.3Å; L303-G308 WeakPolarHBondContact O-CA 3.37Å; L303-G308 PolarHBondContact O-N 3.04Å; L303-T309 HydrophobicContact CD2-CG2 3.67Å
304	W	93.4	Very high	94	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-53.2	-36.7	177.1	-161.9	84	0	0	0	114.4	L265 A299 K301 P302 A306 G338 S340 C341 F344 W375	L265-W304 HydrophobicContact CD1-CD2 3.78Å; L265-W304 VanDerWaalsContact CD1-CE2 3.5Å; L265-W304 HydrophobicContact CD1-CE3 4.22Å; L265-W304 HydrophobicContact CD1-CG 4.23Å; L265-W304 HydrophobicContact CD1-CH2 4.11Å; L265-W304 HydrophobicContact CD1-CZ2 3.68Å; L265-W304 HydrophobicContact CD1-CZ3 4.37Å; L265-W304 HydrophobicContact CD2-CD2 3.96Å; L265-W304 HydrophobicContact CD2-CE3 3.53Å; L265-W304 HydrophobicContact CD2-CH2 3.82Å; L265-W304 HydrophobicContact CD2-CZ2 4.24Å; L265-W304 HydrophobicContact CD2-CZ3 3.45Å; L265-W304 VanDerWaalsContact CD2-CZ3 3.45Å; L265-W304 HydrophobicContact CG-CD2 4.49Å; A299-W304 HydrophobicContact CB-CB 4.31Å; A299-W304 HydrophobicContact CB-CG 4.06Å; A299-W304 VanDerWaalsContact O-CB 3.31Å; A299-W304 WeakPolarHBondContact O-CB 3.41Å; K301-W304 HydrophobicContact CG-CB 4.05Å; P302-W304 PolarHBondContact O-N 3.34Å; W304-A306 VanDerWaalsContact C-N 3.31Å; W304-G338 PolarHBondContact NE1-O 2.84Å; W304-S340 CarbonylContact O-C 3.6Å; W304-S340 WeakPolarHBondContact O-CA 3.29Å; W304-C341 HydrophobicContact CD2-CB 4.47Å; W304-C341 HydrophobicContact CE3-CB 3.66Å; W304-C341 VanDerWaalsContact CH2-CA 3.5Å; W304-C341 HydrophobicContact CH2-CB 3.98Å; W304-C341 VanDerWaalsContact CZ3-CA 3.43Å; W304-C341 HydrophobicContact CZ3-CB 3.37Å; W304-C341 PolarHBondContact O-N 2.78Å; W304-F344 HydrophobicContact CH2-CB 3.82Å; W304-F344 AromaticContact CH2-CD1 3.61Å; W304-F344 HydrophobicContact CH2-CD1 3.61Å; W304-F344 HydrophobicContact CH2-CE1 4.36Å; W304-F344 AromaticContact CH2-CG 3.83Å; W304-F344 HydrophobicContact CH2-CG 3.83Å; W304-F344 HydrophobicContact CZ2-CB 3.46Å; W304-F344 VanDerWaalsContact CZ2-CB 3.46Å; W304-F344 AromaticContact CZ2-CD1 3.9Å; W304-F344 HydrophobicContact CZ2-CD1 3.9Å; W304-F344 HydrophobicContact CZ2-CD2 4.25Å; W304-F344 AromaticContact CZ2-CG 3.61Å; W304-F344 HydrophobicContact CZ2-CG 3.61Å; W304-W375 AromaticContact CH2-CH2 3.88Å; W304-W375 HydrophobicContact CH2-CH2 3.88Å; W304-W375 AromaticContact CZ3-CH2 3.76Å; W304-W375 HydrophobicContact CZ3-CH2 3.76Å; W304-W375 HydrophobicContact CZ3-CZ3 4.18Å
305	F	89.3	Confident	93.8	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.022	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-82.8	-11.5	179.5	-70.5	-68.8	0	0	0	113.4	L265 K301 P302 L303 C341 Y357 G364 R368 W375	L265-F305 HydrophobicContact CD2-CE1 4.36Å; L265-F305 HydrophobicContact CD2-CE2 4.35Å; L265-F305 HydrophobicContact CD2-CZ 3.76Å; K301-F305 HydrophobicContact CD-CE2 3.77Å; K301-F305 HydrophobicContact CD-CZ 4.49Å; K301-F305 HydrophobicContact CG-CD2 4.24Å; K301-F305 HydrophobicContact CG-CE2 3.88Å; P302-F305 PolarHBondContact O-N 3.43Å; L303-F305 PolarHBondContact O-N 2.9Å; F305-C341 HydrophobicContact CD1-CB 4.07Å; F305-Y357 HydrophobicContact CE2-CE1 4.09Å; F305-Y357 AromaticContact CZ-CD1 3.95Å; F305-Y357 HydrophobicContact CZ-CD1 3.95Å; F305-Y357 AromaticContact CZ-CE1 3.58Å; F305-Y357 HydrophobicContact CZ-CE1 3.58Å; F305-Y357 AromaticContact CZ-CZ 3.99Å; F305-G364 WeakPolarHBondContact CD2-O 3.33Å; F305-G364 WeakPolarHBondContact CE2-O 3.36Å; F305-R368 HydrophobicContact CB-CB 3.59Å; F305-R368 HydrophobicContact CD2-CB 4.38Å; F305-R368 HydrophobicContact CG-CB 4.23Å; F305-W375 AromaticContact CE1-CE3 3.85Å; F305-W375 HydrophobicContact CE1-CE3 3.85Å; F305-W375 HydrophobicContact CE1-CH2 4.33Å; F305-W375 AromaticContact CE1-CZ3 3.63Å; F305-W375 HydrophobicContact CE1-CZ3 3.63Å; F305-W375 HydrophobicContact CZ-CZ3 4.25Å
306	A	87.2	Confident	93.3	Very high	31 Å²	31	38 Å²	38	26%	0.256	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-118.1	177.5	0	0	0	0	0	109.7	L303 W304	L303-A306 CarbonylContact O-C 3.59Å; L303-A306 WeakPolarHBondContact O-CA 3.48Å; L303-A306 PolarHBondContact O-N 3.03Å; W304-A306 VanDerWaalsContact C-N 3.31Å
307	E	87.5	Confident	92.8	Very high	145 Å²	145	46.8 Å²	46.8	68%	0.678	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-26.9	179.8	62.2	-90.5	-146.2	0	0	113.7	L303	L303-E307 HydrophobicContact CD1-CG 3.68Å; L303-E307 WeakPolarHBondContact CD1-OE1 3.27Å; L303-E307 HydrophobicContact CG-CG 4.36Å; L303-E307 PolarHBondContact O-N 3.23Å
308	G	91.7	Very high	92.5	Very high	12 Å²	12	50 Å²	50	12%	0.124	27%	0.269	C	S	.	.			trans	67.1	-164.2	-179.9	0	0	0	0	0	115	L303 G339	L303-G308 VanDerWaalsContact O-CA 3.3Å; L303-G308 WeakPolarHBondContact O-CA 3.37Å; L303-G308 PolarHBondContact O-N 3.04Å; G308-G339 CarbonylContact C-O 3.52Å; G308-G339 VanDerWaalsContact CA-O 3.24Å; G308-G339 WeakPolarHBondContact CA-O 3.45Å
309	T	95.2	Very high	92.2	Very high	59 Å²	59	48 Å²	48	36%	0.362	26%	0.264	S	S	.	.			trans	-132.3	-176.5	-178.7	64.2	0	0	0	0	111	L303 F311 G338 G339	L303-T309 HydrophobicContact CD2-CG2 3.67Å; T309-F311 PolarHBondContact O-N 3.28Å; T309-G338 WeakPolarHBondContact OG1-CA 3.1Å; T309-G339 PolarHBondContact N-O 3Å; T309-G339 CarbonylContact O-C 3.59Å; T309-G339 WeakPolarHBondContact O-CA 3.43Å; T309-G339 PolarHBondContact O-N 3.38Å; T309-G339 PolarHBondContact OG1-N 3.4Å; T309-G339 VanDerWaalsContact OG1-N 3.12Å
310	V	94.4	Very high	92.2	Very high	66 Å²	66	52 Å²	52	40%	0.4	29%	0.288	S	S	.	.			trans	-64.3	127	174.6	-177.2	0	0	0	0	110.2	R312 S325 G339	V310-R312 HydrophobicContact CB-CG 4.48Å; V310-R312 HydrophobicContact CG1-CG 3.87Å; V310-R312 PolarHBondContact O-N 3.18Å; V310-S325 WeakPolarHBondContact CG1-OG 3.39Å; V310-G339 PolarHBondContact O-N 2.89Å
311	F	96.1	Very high	92.2	Very high	9 Å²	9	50.6 Å²	50.6	4%	0.039	28%	0.283	C	S	.	.			trans	-85.9	109.7	178	-169.5	-124.6	0	0	0	111	V296 T309 S325 H326 L330 Y336 V343 L347	V296-F311 HydrophobicContact CG2-CE2 4.17Å; T309-F311 PolarHBondContact O-N 3.28Å; F311-S325 CarbonylContact O-C 3.3Å; F311-S325 VanDerWaalsContact O-CA 3.3Å; F311-S325 WeakPolarHBondContact O-CA 3.21Å; F311-H326 HydrophobicContact CD1-CB 4.05Å; F311-H326 HydrophobicContact CE1-CB 4.37Å; F311-H326 PolarHBondContact O-N 3.39Å; F311-L330 HydrophobicContact CE1-CD2 3.85Å; F311-L330 HydrophobicContact CZ-CD2 3.8Å; F311-Y336 HydrophobicContact CD1-CD1 4.49Å; F311-Y336 AromaticContact CE1-CD1 3.72Å; F311-Y336 HydrophobicContact CE1-CD1 3.72Å; F311-Y336 HydrophobicContact CE1-CE1 4.25Å; F311-Y336 HydrophobicContact CE1-CG 4.06Å; F311-Y336 HydrophobicContact CE2-CD1 4.3Å; F311-Y336 AromaticContact CE2-CG 3.96Å; F311-Y336 HydrophobicContact CE2-CG 3.96Å; F311-Y336 VanDerWaalsContact CZ-CB 3.43Å; F311-Y336 AromaticContact CZ-CD1 3.61Å; F311-Y336 HydrophobicContact CZ-CD1 3.61Å; F311-Y336 HydrophobicContact CZ-CD2 4.13Å; F311-Y336 HydrophobicContact CZ-CE1 4.42Å; F311-Y336 AromaticContact CZ-CG 3.44Å; F311-Y336 HydrophobicContact CZ-CG 3.44Å; F311-Y336 VanDerWaalsContact CZ-CG 3.44Å; F311-V343 HydrophobicContact CD1-CG1 4.48Å; F311-L347 HydrophobicContact CD1-CD1 3.95Å; F311-L347 HydrophobicContact CE1-CD1 3.57Å
312	R	96.4	Very high	92.3	Very high	79 Å²	79	54.4 Å²	54.4	30%	0.298	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.4	-173.1	-59.8	-175.9	178.6	-88.1	1.6	111.3	V310 P321 K322 G324 Y336 A337	V310-R312 HydrophobicContact CB-CG 4.48Å; V310-R312 HydrophobicContact CG1-CG 3.87Å; V310-R312 PolarHBondContact O-N 3.18Å; R312-P321 HydrophobicContact CB-CB 3.99Å; R312-K322 PolarHBondContact NH1-O 3.09Å; R312-G324 VanDerWaalsContact NH1-N 3.2Å; R312-G324 PolarHBondContact NH1-O 3.46Å; R312-Y336 CarbonylContact O-C 3.58Å; R312-Y336 WeakPolarHBondContact O-CA 3.07Å; R312-Y336 WeakPolarHBondContact O-CB 3.25Å; R312-A337 PolarHBondContact N-O 3.15Å; R312-A337 PolarHBondContact O-N 2.96Å
313	Q	96.3	Very high	92.3	Very high	33 Å²	33	60.3 Å²	60.3	15%	0.154	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	136.3	168.5	-171.8	-173.8	-37.3	0	0	109.4	K322 V334 Y336	Q313-K322 HydrophobicContact CB-CD 4.34Å; Q313-K322 HydrophobicContact CG-CD 4.49Å; Q313-K322 WeakPolarHBondContact O-CB 3.49Å; Q313-K322 WeakPolarHBondContact O-CG 3.22Å; Q313-K322 PolarHBondContact O-N 2.92Å; Q313-V334 HydrophobicContact CG-CG1 3.5Å; Q313-Y336 HydrophobicContact CB-CD1 4.11Å; Q313-Y336 HydrophobicContact CB-CE1 4.02Å; Q313-Y336 HydrophobicContact CG-CD1 4.34Å; Q313-Y336 HydrophobicContact CG-CE1 4Å
314	I	96.6	Very high	92.2	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-82.6	135.8	170	-62.2	-58.9	0	0	0	109.6	Y270 V297 T316 P321 A335 A337	Y270-I314 HydrophobicContact CD1-CG2 3.95Å; Y270-I314 HydrophobicContact CD2-CG2 4.01Å; Y270-I314 HydrophobicContact CE1-CG2 4.26Å; Y270-I314 HydrophobicContact CE2-CG2 4.33Å; Y270-I314 HydrophobicContact CG-CG2 3.79Å; V297-I314 HydrophobicContact CG2-CD1 4.35Å; V297-I314 HydrophobicContact CG2-CG1 4.05Å; I314-T316 PolarHBondContact O-N 3.43Å; I314-P321 HydrophobicContact CD1-CB 3.89Å; I314-P321 HydrophobicContact CD1-CG 3.65Å; I314-A335 HydrophobicContact CB-CB 4.11Å; I314-A335 WeakPolarHBondContact CB-O 3.35Å; I314-A335 HydrophobicContact CG1-CB 4.22Å; I314-A335 PolarHBondContact N-O 3.1Å; I314-A337 HydrophobicContact CD1-CB 3.66Å; I314-A337 HydrophobicContact CG1-CB 4.28Å
315	D	93.9	Very high	92	Very high	52 Å²	52	63.4 Å²	63.4	28%	0.278	36%	0.359	S	S	.	.			trans	-75.8	112.1	158.5	174.5	11.5	0	0	0	108.8	E317 S318 G319 V320 K322	D315-E317 PolarHBondContact O-N 2.89Å; D315-E317 PolarHBondContact OD1-N 2.89Å; D315-S318 WeakPolarHBondContact CB-OG 3.45Å; D315-S318 WeakPolarHBondContact OD2-CB 3.1Å; D315-S318 PolarHBondContact OD2-OG 3.39Å; D315-G319 WeakPolarHBondContact O-CA 3.43Å; D315-G319 PolarHBondContact O-N 2.95Å; D315-V320 PolarHBondContact N-O 2.7Å; D315-K322 HydrophobicContact CB-CG 4.41Å
316	T	87.7	Confident	92	Very high	48 Å²	48	64.6 Å²	64.6	29%	0.294	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.6	-172.3	49.7	0	0	0	0	113.6	Y270 I314	Y270-T316 WeakPolarHBondContact OH-CB 3.48Å; Y270-T316 WeakPolarHBondContact OH-CG2 3.06Å; I314-T316 PolarHBondContact O-N 3.43Å
317	E	88.2	Confident	92	Very high	185 Å²	185	70.5 Å²	70.5	86%	0.864	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-49.4	177.2	-66.2	-177.4	-177.8	0	0	111.2	D315	D315-E317 PolarHBondContact O-N 2.89Å; D315-E317 PolarHBondContact OD1-N 2.89Å
318	S	90.5	Very high	92.1	Very high	67 Å²	67	64.8 Å²	64.8	47%	0.469	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-20.3	179.5	62.9	0	0	0	0	113.7	D315 V320	D315-S318 WeakPolarHBondContact CB-OG 3.45Å; D315-S318 WeakPolarHBondContact OD2-CB 3.1Å; D315-S318 PolarHBondContact OD2-OG 3.39Å; S318-V320 PolarHBondContact O-N 3.01Å; S318-V320 PolarHBondContact OG-N 3.31Å
319	G	90.6	Very high	92.1	Very high	22 Å²	22	69.2 Å²	69.2	23%	0.227	40%	0.397	C	S	.	.			trans	72.2	7.7	-171.7	0	0	0	0	0	114.5	D315	D315-G319 WeakPolarHBondContact O-CA 3.43Å; D315-G319 PolarHBondContact O-N 2.95Å
320	V	93.4	Very high	92	Very high	84 Å²	84	67.9 Å²	67.9	51%	0.509	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-93.1	138.4	-173.8	-179.8	0	0	0	0	111.1	D315 S318 K322	D315-V320 PolarHBondContact N-O 2.7Å; S318-V320 PolarHBondContact O-N 3.01Å; S318-V320 PolarHBondContact OG-N 3.31Å; V320-K322 PolarHBondContact O-N 2.61Å
321	P	93.5	Very high	92	Very high	55 Å²	55	69.9 Å²	69.9	36%	0.357	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-64.9	126.9	171.3	-17.9	29.6	0	0	0	112	R312 I314 A337	R312-P321 HydrophobicContact CB-CB 3.99Å; I314-P321 HydrophobicContact CD1-CB 3.89Å; I314-P321 HydrophobicContact CD1-CG 3.65Å; P321-A337 HydrophobicContact CG-CB 4.33Å
322	K	93.7	Very high	91.8	Very high	95 Å²	95	74 Å²	74	41%	0.413	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-64.3	149.6	172.8	-63.8	-177	-179.1	179.9	0	110.8	R312 Q313 D315 V320	R312-K322 PolarHBondContact NH1-O 3.09Å; Q313-K322 HydrophobicContact CB-CD 4.34Å; Q313-K322 HydrophobicContact CG-CD 4.49Å; Q313-K322 WeakPolarHBondContact O-CB 3.49Å; Q313-K322 WeakPolarHBondContact O-CG 3.22Å; Q313-K322 PolarHBondContact O-N 2.92Å; D315-K322 HydrophobicContact CB-CG 4.41Å; V320-K322 PolarHBondContact O-N 2.61Å
323	I	91.5	Very high	91.6	Very high	169 Å²	169	75 Å²	75	87%	0.867	43%	0.426	S	S	*	.	S	Bend	trans	-67.6	152.8	175.5	-164.7	166	0	0	0	111
324	G	89.7	Confident	91.5	Very high	38 Å²	38	74.6 Å²	74.6	39%	0.392	43%	0.426	S	S	.	.	S	Bend	trans	81.7	177.7	-175.5	0	0	0	0	0	114.7	R312	R312-G324 VanDerWaalsContact NH1-N 3.2Å; R312-G324 PolarHBondContact NH1-O 3.46Å
325	S	89.4	Confident	91.5	Very high	77 Å²	77	74.6 Å²	74.6	54%	0.538	43%	0.426	S	S	.	.			trans	-100.6	132.8	175	-56.8	0	0	0	0	109.9	V310 F311 I327	V310-S325 WeakPolarHBondContact CG1-OG 3.39Å; F311-S325 CarbonylContact O-C 3.3Å; F311-S325 VanDerWaalsContact O-CA 3.3Å; F311-S325 WeakPolarHBondContact O-CA 3.21Å; S325-I327 PolarHBondContact O-N 2.98Å
326	H	89.6	Confident	91.7	Very high	30 Å²	30	72.1 Å²	72.1	14%	0.139	41%	0.413	C	S	.	.			trans	-74.3	118.8	172.4	-176.4	79.7	0	0	0	110	F311 G328 P329 Y336	F311-H326 HydrophobicContact CD1-CB 4.05Å; F311-H326 HydrophobicContact CE1-CB 4.37Å; F311-H326 PolarHBondContact O-N 3.39Å; H326-G328 PolarHBondContact CD2-O 2.84Å; H326-G328 VanDerWaalsContact CD2-O 3.3Å; H326-G328 VanDerWaalsContact NE2-C 3.35Å; H326-G328 PolarHBondContact NE2-O 3.28Å; H326-P329 PolarHBondContact NE2-O 2.84Å; H326-Y336 HydrophobicContact CB-CD1 4.32Å; H326-Y336 HydrophobicContact CB-CE1 4.17Å; H326-Y336 AromaticContact CD2-CE1 3.52Å; H326-Y336 AromaticContact CE1-CE1 4Å; H326-Y336 AromaticContact CG-CE1 3.6Å; H326-Y336 AromaticContact ND1-CE1 3.92Å; H326-Y336 AromaticContact NE2-CE1 3.76Å
327	I	86.1	Confident	92.2	Very high	155 Å²	155	70.2 Å²	70.2	80%	0.795	40%	0.402	S	S	*	.			trans	-113.5	-5.7	-179.4	60.7	172	0	0	0	113.4	S325	S325-I327 PolarHBondContact O-N 2.98Å
328	G	89	Confident	92.5	Very high	25 Å²	25	61.6 Å²	61.6	26%	0.258	36%	0.362	S	S	.	.	S	Bend	trans	-87.9	179.8	-178	0	0	0	0	0	113.5	H326 L347	H326-G328 PolarHBondContact CD2-O 2.84Å; H326-G328 VanDerWaalsContact CD2-O 3.3Å; H326-G328 VanDerWaalsContact NE2-C 3.35Å; H326-G328 PolarHBondContact NE2-O 3.28Å; G328-L347 WeakPolarHBondContact O-CD2 3.31Å
329	P	92.3	Very high	92.7	Very high	105 Å²	105	58.4 Å²	58.4	68%	0.682	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-58.7	151.3	173	26.2	-34.4	0	0	0	111.5	H326	H326-P329 PolarHBondContact NE2-O 2.84Å
330	L	93.7	Very high	92.8	Very high	31 Å²	31	58 Å²	58	16%	0.162	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-68.1	132.1	173.2	-60.7	173.8	0	0	0	109.2	A294 F311 Y336 F344 L347 L348	A294-L330 HydrophobicContact CB-CD1 3.84Å; F311-L330 HydrophobicContact CE1-CD2 3.85Å; F311-L330 HydrophobicContact CZ-CD2 3.8Å; L330-Y336 WeakPolarHBondContact CA-OH 3.47Å; L330-Y336 HydrophobicContact CB-CE2 4.47Å; L330-Y336 HydrophobicContact CD2-CD2 4.08Å; L330-Y336 HydrophobicContact CD2-CE1 4.28Å; L330-Y336 HydrophobicContact CD2-CE2 3.71Å; L330-F344 HydrophobicContact CD1-CD2 4.46Å; L330-F344 HydrophobicContact CD1-CE2 4.11Å; L330-L347 HydrophobicContact CD1-CB 4.2Å; L330-L347 HydrophobicContact CD2-CB 4.41Å; L330-L347 HydrophobicContact CD2-CD1 4.14Å; L330-L347 HydrophobicContact CG-CB 4.06Å; L330-L348 HydrophobicContact CD1-CB 4.36Å; L330-L348 HydrophobicContact CD1-CD1 4.26Å
331	K	92.9	Very high	92.7	Very high	108 Å²	108	54 Å²	54	47%	0.47	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-96.5	139.4	-177.8	-66.7	179.9	-179.7	176.8	0	110.2	V334 Y336	K331-V334 HydrophobicContact CB-CB 4.13Å; K331-V334 HydrophobicContact CB-CG2 3.85Å; K331-V334 PolarHBondContact O-N 3.48Å; K331-Y336 PolarHBondContact N-OH 3.35Å
332	P	92.1	Very high	92.5	Very high	94 Å²	94	57.1 Å²	57.1	61%	0.61	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	141.1	175.7	-24.8	34	0	0	0	112.1	V334	P332-V334 PolarHBondContact O-N 3.43Å
333	H	92.6	Very high	92.3	Very high	101 Å²	101	55.6 Å²	55.6	47%	0.468	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	7.8	174.6	-41	-52.4	0	0	0	116	R289	R289-H333 HydrophobicContact CB-CB 4.2Å; R289-H333 WeakPolarHBondContact CD-O 3.25Å; R289-H333 PolarHBondContact O-ND1 3.2Å
334	V	94.5	Very high	92.2	Very high	25 Å²	25	47.6 Å²	47.6	15%	0.152	28%	0.277	C	S	.	.			trans	-98	135	176.1	175.9	0	0	0	0	109.3	Q313 K331 P332 Y336	Q313-V334 HydrophobicContact CG-CG1 3.5Å; K331-V334 HydrophobicContact CB-CB 4.13Å; K331-V334 HydrophobicContact CB-CG2 3.85Å; K331-V334 PolarHBondContact O-N 3.48Å; P332-V334 PolarHBondContact O-N 3.43Å; V334-Y336 HydrophobicContact CB-CE2 4.35Å; V334-Y336 HydrophobicContact CG1-CE2 4.13Å
335	A	97	Very high	92.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	154.1	172.5	0	0	0	0	0	111.8	Y270 I295 I314	Y270-A335 HydrophobicContact CD2-CB 3.6Å; Y270-A335 HydrophobicContact CE2-CB 3.49Å; Y270-A335 VanDerWaalsContact CE2-CB 3.49Å; I295-A335 HydrophobicContact CB-CB 4.2Å; I295-A335 HydrophobicContact CG2-CB 3.8Å; I314-A335 HydrophobicContact CB-CB 4.11Å; I314-A335 WeakPolarHBondContact CB-O 3.35Å; I314-A335 HydrophobicContact CG1-CB 4.22Å; I314-A335 PolarHBondContact N-O 3.1Å
336	Y	97.9	Very high	92.3	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153.1	177	-60.9	-92.4	0	0	0	109.7	I295 V296 V297 F311 R312 Q313 H326 L330 K331 V334	I295-Y336 PolarHBondContact O-N 3.12Å; V296-Y336 CarbonylContact C-O 3.44Å; V296-Y336 VanDerWaalsContact CA-O 3.29Å; V296-Y336 WeakPolarHBondContact CA-O 3.36Å; V297-Y336 VanDerWaalsContact CG2-O 3.25Å; V297-Y336 WeakPolarHBondContact CG2-O 3.24Å; V297-Y336 PolarHBondContact N-O 3.06Å; F311-Y336 HydrophobicContact CD1-CD1 4.49Å; F311-Y336 AromaticContact CE1-CD1 3.72Å; F311-Y336 HydrophobicContact CE1-CD1 3.72Å; F311-Y336 HydrophobicContact CE1-CE1 4.25Å; F311-Y336 HydrophobicContact CE1-CG 4.06Å; F311-Y336 HydrophobicContact CE2-CD1 4.3Å; F311-Y336 AromaticContact CE2-CG 3.96Å; F311-Y336 HydrophobicContact CE2-CG 3.96Å; F311-Y336 VanDerWaalsContact CZ-CB 3.43Å; F311-Y336 AromaticContact CZ-CD1 3.61Å; F311-Y336 HydrophobicContact CZ-CD1 3.61Å; F311-Y336 HydrophobicContact CZ-CD2 4.13Å; F311-Y336 HydrophobicContact CZ-CE1 4.42Å; F311-Y336 AromaticContact CZ-CG 3.44Å; F311-Y336 HydrophobicContact CZ-CG 3.44Å; F311-Y336 VanDerWaalsContact CZ-CG 3.44Å; R312-Y336 CarbonylContact O-C 3.58Å; R312-Y336 WeakPolarHBondContact O-CA 3.07Å; R312-Y336 WeakPolarHBondContact O-CB 3.25Å; Q313-Y336 HydrophobicContact CB-CD1 4.11Å; Q313-Y336 HydrophobicContact CB-CE1 4.02Å; Q313-Y336 HydrophobicContact CG-CD1 4.34Å; Q313-Y336 HydrophobicContact CG-CE1 4Å; H326-Y336 HydrophobicContact CB-CD1 4.32Å; H326-Y336 HydrophobicContact CB-CE1 4.17Å; H326-Y336 AromaticContact CD2-CE1 3.52Å; H326-Y336 AromaticContact CE1-CE1 4Å; H326-Y336 AromaticContact CG-CE1 3.6Å; H326-Y336 AromaticContact ND1-CE1 3.92Å; H326-Y336 AromaticContact NE2-CE1 3.76Å; L330-Y336 WeakPolarHBondContact CA-OH 3.47Å; L330-Y336 HydrophobicContact CB-CE2 4.47Å; L330-Y336 HydrophobicContact CD2-CD2 4.08Å; L330-Y336 HydrophobicContact CD2-CE1 4.28Å; L330-Y336 HydrophobicContact CD2-CE2 3.71Å; K331-Y336 PolarHBondContact N-OH 3.35Å; V334-Y336 HydrophobicContact CB-CE2 4.35Å; V334-Y336 HydrophobicContact CG1-CE2 4.13Å
337	A	97.2	Very high	92.4	Very high	7 Å²	7	52.6 Å²	52.6	6%	0.058	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141.1	176.3	0	0	0	0	0	111.5	V297 D298 R312 I314 P321	V297-A337 HydrophobicContact CG2-CB 4.17Å; V297-A337 VanDerWaalsContact O-CA 3.27Å; V297-A337 WeakPolarHBondContact O-CA 3.38Å; D298-A337 HydrophobicContact CB-CB 4.28Å; R312-A337 PolarHBondContact N-O 3.15Å; R312-A337 PolarHBondContact O-N 2.96Å; I314-A337 HydrophobicContact CD1-CB 3.66Å; I314-A337 HydrophobicContact CG1-CB 4.28Å; P321-A337 HydrophobicContact CG-CB 4.33Å
338	G	95.9	Very high	92.6	Very high	4 Å²	4	45.9 Å²	45.9	4%	0.041	25%	0.248	C	C	.	.			trans	67.5	-136.9	173.6	0	0	0	0	0	113.7	V296 V297 D298 W304 T309	V296-G338 WeakPolarHBondContact CG1-O 3.48Å; V297-G338 PolarHBondContact O-N 2.88Å; D298-G338 WeakPolarHBondContact O-CA 3.32Å; D298-G338 PolarHBondContact O-N 2.89Å; W304-G338 PolarHBondContact NE1-O 2.84Å; T309-G338 WeakPolarHBondContact OG1-CA 3.1Å
339	G	94.2	Very high	92.6	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.01	26%	0.261	C	S	.	.			trans	86.4	-165.6	-176.8	0	0	0	0	0	113.4	G308 T309 V310	G308-G339 CarbonylContact C-O 3.52Å; G308-G339 VanDerWaalsContact CA-O 3.24Å; G308-G339 WeakPolarHBondContact CA-O 3.45Å; T309-G339 PolarHBondContact N-O 3Å; T309-G339 CarbonylContact O-C 3.59Å; T309-G339 WeakPolarHBondContact O-CA 3.43Å; T309-G339 PolarHBondContact O-N 3.38Å; T309-G339 PolarHBondContact OG1-N 3.4Å; T309-G339 VanDerWaalsContact OG1-N 3.12Å; V310-G339 PolarHBondContact O-N 2.89Å
340	S	92.6	Very high	92.4	Very high	13 Å²	13	42.8 Å²	42.8	9%	0.091	23%	0.234	C	C	.	.			trans	-137.3	157.2	176.3	74.7	0	0	0	0	110.3	W304 E342 V343 F344	W304-S340 CarbonylContact O-C 3.6Å; W304-S340 WeakPolarHBondContact O-CA 3.29Å; S340-E342 PolarHBondContact O-N 3.32Å; S340-V343 PolarHBondContact O-N 2.95Å; S340-V343 WeakPolarHBondContact OG-CG2 3.5Å; S340-V343 PolarHBondContact OG-N 2.91Å; S340-F344 VanDerWaalsContact O-CB 3.26Å; S340-F344 WeakPolarHBondContact O-CB 3.2Å; S340-F344 PolarHBondContact O-N 2.87Å
341	C	91.3	Very high	92.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.3	-34.8	175.3	-177.3	0	0	0	0	112.3	W304 F305 S345 R373 W375	W304-C341 HydrophobicContact CD2-CB 4.47Å; W304-C341 HydrophobicContact CE3-CB 3.66Å; W304-C341 VanDerWaalsContact CH2-CA 3.5Å; W304-C341 HydrophobicContact CH2-CB 3.98Å; W304-C341 VanDerWaalsContact CZ3-CA 3.43Å; W304-C341 HydrophobicContact CZ3-CB 3.37Å; W304-C341 PolarHBondContact O-N 2.78Å; F305-C341 HydrophobicContact CD1-CB 4.07Å; C341-S345 WeakPolarHBondContact O-CB 3.38Å; C341-S345 PolarHBondContact O-N 3.19Å; C341-S345 PolarHBondContact O-OG 2.87Å; C341-R373 HydrophobicContact CB-CG 4.32Å; C341-W375 WeakPolarHBondContact SG-CZ2 3.47Å
342	E	88.7	Confident	91.6	Very high	120 Å²	120	44.2 Å²	44.2	56%	0.561	25%	0.245	S	C	*	.	H	α-helix	trans	-66.4	-53	179.5	-168.6	165.8	146.8	0	0	112.7	S340 F344 S345 K346 R373	S340-E342 PolarHBondContact O-N 3.32Å; E342-F344 VanDerWaalsContact C-N 3.31Å; E342-F344 PolarHBondContact O-N 2.74Å; E342-S345 PolarHBondContact O-N 3.35Å; E342-K346 WeakPolarHBondContact O-CB 3.05Å; E342-K346 PolarHBondContact O-N 3.37Å; E342-R373 IonicContact OE2-CZ 2.73Å; E342-R373 IonicContact OE2-NH1 3.05Å; E342-R373 PolarHBondContact OE2-NH1 3.39Å; E342-R373 IonicContact OE2-NH2 2.74Å; E342-R373 PolarHBondContact OE2-NH2 2.96Å
343	V	89.3	Confident	91.4	Very high	63 Å²	63	46.6 Å²	46.6	38%	0.382	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-46.1	178.8	174.5	0	0	0	0	109.3	F311 S340 K346 L347	F311-V343 HydrophobicContact CD1-CG1 4.48Å; S340-V343 PolarHBondContact O-N 2.95Å; S340-V343 WeakPolarHBondContact OG-CG2 3.5Å; S340-V343 PolarHBondContact OG-N 2.91Å; V343-K346 PolarHBondContact O-N 3.22Å; V343-L347 HydrophobicContact CG1-CD1 4.03Å; V343-L347 HydrophobicContact CG1-CG 4.46Å; V343-L347 WeakPolarHBondContact O-CG 3.48Å; V343-L347 PolarHBondContact O-N 2.61Å
344	F	91.3	Very high	91.4	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-46.8	179.9	-178.1	-99.8	0	0	0	112.6	F263 A294 V296 W304 L330 S340 E342 K346 L347 L348	F263-F344 HydrophobicContact CB-CZ 3.96Å; F263-F344 HydrophobicContact CD1-CE1 4.24Å; F263-F344 HydrophobicContact CD1-CZ 4.38Å; F263-F344 AromaticContact CD2-CE1 3.81Å; F263-F344 HydrophobicContact CD2-CE1 3.81Å; F263-F344 AromaticContact CD2-CZ 3.78Å; F263-F344 HydrophobicContact CD2-CZ 3.78Å; F263-F344 HydrophobicContact CE1-CE1 4.31Å; F263-F344 AromaticContact CE2-CE1 3.9Å; F263-F344 HydrophobicContact CE2-CE1 3.9Å; F263-F344 HydrophobicContact CE2-CZ 4.33Å; F263-F344 AromaticContact CG-CE1 3.99Å; F263-F344 HydrophobicContact CG-CE1 3.99Å; F263-F344 AromaticContact CG-CZ 3.8Å; F263-F344 HydrophobicContact CG-CZ 3.8Å; F263-F344 HydrophobicContact CZ-CE1 4.13Å; A294-F344 HydrophobicContact CB-CE2 3.7Å; A294-F344 HydrophobicContact CB-CZ 3.78Å; V296-F344 HydrophobicContact CG2-CD2 3.79Å; V296-F344 HydrophobicContact CG2-CE2 3.55Å; V296-F344 HydrophobicContact CG2-CZ 4.39Å; W304-F344 HydrophobicContact CH2-CB 3.82Å; W304-F344 AromaticContact CH2-CD1 3.61Å; W304-F344 HydrophobicContact CH2-CD1 3.61Å; W304-F344 HydrophobicContact CH2-CE1 4.36Å; W304-F344 AromaticContact CH2-CG 3.83Å; W304-F344 HydrophobicContact CH2-CG 3.83Å; W304-F344 HydrophobicContact CZ2-CB 3.46Å; W304-F344 VanDerWaalsContact CZ2-CB 3.46Å; W304-F344 AromaticContact CZ2-CD1 3.9Å; W304-F344 HydrophobicContact CZ2-CD1 3.9Å; W304-F344 HydrophobicContact CZ2-CD2 4.25Å; W304-F344 AromaticContact CZ2-CG 3.61Å; W304-F344 HydrophobicContact CZ2-CG 3.61Å; L330-F344 HydrophobicContact CD1-CD2 4.46Å; L330-F344 HydrophobicContact CD1-CE2 4.11Å; S340-F344 VanDerWaalsContact O-CB 3.26Å; S340-F344 WeakPolarHBondContact O-CB 3.2Å; S340-F344 PolarHBondContact O-N 2.87Å; E342-F344 VanDerWaalsContact C-N 3.31Å; E342-F344 PolarHBondContact O-N 2.74Å; F344-K346 VanDerWaalsContact C-N 3.28Å; F344-K346 PolarHBondContact O-N 2.81Å; F344-L347 PolarHBondContact O-N 3.27Å; F344-L348 HydrophobicContact CD1-CD2 4.39Å; F344-L348 HydrophobicContact CE1-CB 4.47Å; F344-L348 HydrophobicContact CE1-CD2 3.55Å; F344-L348 HydrophobicContact CZ-CD2 3.82Å; F344-L348 VanDerWaalsContact O-CB 3.28Å; F344-L348 WeakPolarHBondContact O-CB 3.13Å; F344-L348 PolarHBondContact O-N 2.79Å
345	S	90.4	Very high	91.4	Very high	18 Å²	18	42.4 Å²	42.4	13%	0.126	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-39.4	178.9	-61.3	0	0	0	0	111.3	C341 E342 G349 A350	C341-S345 WeakPolarHBondContact O-CB 3.38Å; C341-S345 PolarHBondContact O-N 3.19Å; C341-S345 PolarHBondContact O-OG 2.87Å; E342-S345 PolarHBondContact O-N 3.35Å; S345-G349 CarbonylContact O-C 3.58Å; S345-G349 WeakPolarHBondContact O-CA 3.41Å; S345-G349 PolarHBondContact O-N 3.46Å; S345-A350 PolarHBondContact O-N 3.45Å
346	K	89.9	Confident	91.4	Very high	184 Å²	184	42.4 Å²	42.4	80%	0.8	22%	0.22	S	C	*	.	H	α-helix	trans	-63.5	-45	175.2	-174.5	177.7	-180	178.7	0	112	E342 V343 F344 G349	E342-K346 WeakPolarHBondContact O-CB 3.05Å; E342-K346 PolarHBondContact O-N 3.37Å; V343-K346 PolarHBondContact O-N 3.22Å; F344-K346 VanDerWaalsContact C-N 3.28Å; F344-K346 PolarHBondContact O-N 2.81Å; K346-G349 PolarHBondContact O-N 3.36Å
347	L	90.6	Very high	91.3	Very high	49 Å²	49	42.3 Å²	42.3	26%	0.257	22%	0.22	S	C	.	.	H	α-helix	trans	-68.9	-35.6	179.3	-70.1	178.2	0	0	0	112.9	F311 G328 L330 V343 F344 G349	F311-L347 HydrophobicContact CD1-CD1 3.95Å; F311-L347 HydrophobicContact CE1-CD1 3.57Å; G328-L347 WeakPolarHBondContact O-CD2 3.31Å; L330-L347 HydrophobicContact CD1-CB 4.2Å; L330-L347 HydrophobicContact CD2-CB 4.41Å; L330-L347 HydrophobicContact CD2-CD1 4.14Å; L330-L347 HydrophobicContact CG-CB 4.06Å; V343-L347 HydrophobicContact CG1-CD1 4.03Å; V343-L347 HydrophobicContact CG1-CG 4.46Å; V343-L347 WeakPolarHBondContact O-CG 3.48Å; V343-L347 PolarHBondContact O-N 2.61Å; F344-L347 PolarHBondContact O-N 3.27Å; L347-G349 VanDerWaalsContact C-N 3.35Å
348	L	90.4	Very high	91.3	Very high	14 Å²	14	42 Å²	42	7%	0.073	22%	0.217	C	C	.	.	H	α-helix	trans	-79.7	-20.4	179.1	-170.1	61	0	0	0	112.4	F48 K261 F263 A294 L330 F344 A350	F48-L348 HydrophobicContact CD1-CD1 4.3Å; F48-L348 HydrophobicContact CD1-CD2 3.58Å; F48-L348 HydrophobicContact CD1-CG 3.7Å; F48-L348 HydrophobicContact CE1-CD1 4.2Å; F48-L348 HydrophobicContact CE1-CD2 4.03Å; F48-L348 HydrophobicContact CE1-CG 3.6Å; F48-L348 HydrophobicContact CG-CD2 4.35Å; K261-L348 HydrophobicContact CD-CD1 4.32Å; F263-L348 HydrophobicContact CD1-CD2 3.9Å; F263-L348 HydrophobicContact CE1-CD2 4.23Å; A294-L348 HydrophobicContact CB-CD1 4.49Å; L330-L348 HydrophobicContact CD1-CB 4.36Å; L330-L348 HydrophobicContact CD1-CD1 4.26Å; F344-L348 HydrophobicContact CD1-CD2 4.39Å; F344-L348 HydrophobicContact CE1-CB 4.47Å; F344-L348 HydrophobicContact CE1-CD2 3.55Å; F344-L348 HydrophobicContact CZ-CD2 3.82Å; F344-L348 VanDerWaalsContact O-CB 3.28Å; F344-L348 WeakPolarHBondContact O-CB 3.13Å; F344-L348 PolarHBondContact O-N 2.79Å; L348-A350 VanDerWaalsContact C-N 3.33Å; L348-A350 HydrophobicContact CB-CB 4.34Å; L348-A350 HydrophobicContact CD2-CB 4.14Å; L348-A350 HydrophobicContact CG-CB 4.32Å
349	G	89.5	Confident	91.3	Very high	52 Å²	52	41.8 Å²	41.8	54%	0.536	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	23.7	-171.8	0	0	0	0	0	112.9	S345 K346 L347	S345-G349 CarbonylContact O-C 3.58Å; S345-G349 WeakPolarHBondContact O-CA 3.41Å; S345-G349 PolarHBondContact O-N 3.46Å; K346-G349 PolarHBondContact O-N 3.36Å; L347-G349 VanDerWaalsContact C-N 3.35Å
350	A	89.3	Confident	91.2	Very high	12 Å²	12	42 Å²	42	10%	0.099	22%	0.216	C	C	.	.			trans	-86.5	129	-174.7	0	0	0	0	0	111.8	F48 S345 L348 V355	F48-A350 HydrophobicContact CD1-CB 4.17Å; F48-A350 HydrophobicContact CD2-CB 3.78Å; F48-A350 HydrophobicContact CE1-CB 4.14Å; F48-A350 HydrophobicContact CE2-CB 3.8Å; F48-A350 HydrophobicContact CG-CB 3.98Å; F48-A350 HydrophobicContact CZ-CB 3.97Å; S345-A350 PolarHBondContact O-N 3.45Å; L348-A350 VanDerWaalsContact C-N 3.33Å; L348-A350 HydrophobicContact CB-CB 4.34Å; L348-A350 HydrophobicContact CD2-CB 4.14Å; L348-A350 HydrophobicContact CG-CB 4.32Å; A350-V355 HydrophobicContact CB-CG2 3.79Å
351	K	85.7	Confident	91.1	Very high	147 Å²	147	43.5 Å²	43.5	64%	0.639	22%	0.222	S	C	*	.			trans	-98.1	146.8	170	-61.5	178.7	-179.6	177.8	0	109.9	R353 E354	K351-R353 PolarHBondContact O-N 2.96Å; K351-E354 HydrophobicContact CB-CG 4.23Å; K351-E354 WeakPolarHBondContact CB-OE2 3.33Å; K351-E354 WeakPolarHBondContact O-CB 3.49Å; K351-E354 PolarHBondContact O-N 3.32Å
352	G	82.9	Confident	90.8	Very high	22 Å²	22	43.6 Å²	43.6	23%	0.227	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-44.3	-59.3	-168.3	0	0	0	0	0	115	E354 V355 R373 G374 W375	G352-E354 VanDerWaalsContact C-N 3.26Å; G352-E354 PolarHBondContact O-N 3.49Å; G352-V355 PolarHBondContact O-N 2.67Å; G352-R373 VanDerWaalsContact CA-O 3.22Å; G352-R373 WeakPolarHBondContact CA-O 3.23Å; G352-G374 CarbonylContact C-O 3.52Å; G352-G374 VanDerWaalsContact C-O 3.3Å; G352-W375 VanDerWaalsContact O-CA 3.3Å; G352-W375 WeakPolarHBondContact O-CA 3.25Å
353	R	87.4	Confident	90.4	Very high	144 Å²	144	41.5 Å²	41.5	54%	0.543	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-72.3	-13.2	-175.9	-68.2	-176.4	173.1	154.8	-1.1	115.2	K351 V355 G374	K351-R353 PolarHBondContact O-N 2.96Å; R353-V355 VanDerWaalsContact C-N 3.25Å; R353-G374 PolarHBondContact N-O 3.12Å
354	E	93.6	Very high	89.9	Confident	38 Å²	38	38.6 Å²	38.6	18%	0.178	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-84.8	-3.6	177.3	-57.6	179.6	144.8	0	0	111.9	K47 F48 K351 G352	K47-E354 HydrophobicContact CB-CB 4.25Å; K47-E354 HydrophobicContact CD-CG 4.42Å; K47-E354 WeakPolarHBondContact CE-OE1 3.5Å; K47-E354 HydrophobicContact CG-CB 4.41Å; K47-E354 PolarHBondContact N-O 3.33Å; K47-E354 IonicContact NZ-OE1 3.26Å; K47-E354 PolarHBondContact NZ-OE1 3.25Å; F48-E354 HydrophobicContact CD2-CB 4.21Å; F48-E354 HydrophobicContact CE2-CB 4.43Å; F48-E354 PolarHBondContact N-O 2.81Å; K351-E354 HydrophobicContact CB-CG 4.23Å; K351-E354 WeakPolarHBondContact CB-OE2 3.33Å; K351-E354 WeakPolarHBondContact O-CB 3.49Å; K351-E354 PolarHBondContact O-N 3.32Å; G352-E354 VanDerWaalsContact C-N 3.26Å; G352-E354 PolarHBondContact O-N 3.49Å
355	V	94.9	Very high	89.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.2	178.8	-172.7	0	0	0	0	110.1	F48 F263 A350 G352 R353 W375 R376	F48-V355 HydrophobicContact CB-CB 4.49Å; F48-V355 HydrophobicContact CB-CG1 4.4Å; F48-V355 HydrophobicContact CB-CG2 4.09Å; F48-V355 HydrophobicContact CD2-CG2 4.28Å; F48-V355 HydrophobicContact CG-CG2 4.46Å; F48-V355 CarbonylContact O-C 3.18Å; F48-V355 WeakPolarHBondContact O-CA 3.12Å; F263-V355 HydrophobicContact CE1-CG1 3.99Å; F263-V355 HydrophobicContact CZ-CG1 3.99Å; A350-V355 HydrophobicContact CB-CG2 3.79Å; G352-V355 PolarHBondContact O-N 2.67Å; R353-V355 VanDerWaalsContact C-N 3.25Å; V355-W375 HydrophobicContact CB-CB 4.43Å; V355-W375 HydrophobicContact CB-CD2 3.97Å; V355-W375 HydrophobicContact CB-CG 3.9Å; V355-W375 HydrophobicContact CG1-CD2 3.66Å; V355-W375 HydrophobicContact CG1-CE3 3.81Å; V355-W375 HydrophobicContact CG1-CG 4.07Å; V355-W375 HydrophobicContact CG1-CH2 4.35Å; V355-W375 HydrophobicContact CG1-CZ2 4.24Å; V355-W375 HydrophobicContact CG1-CZ3 4.14Å; V355-W375 HydrophobicContact CG2-CD2 4.39Å; V355-W375 HydrophobicContact CG2-CG 4.46Å; V355-W375 HydrophobicContact CG2-CZ2 4.38Å; V355-R376 WeakPolarHBondContact O-CA 3.45Å; V355-R376 WeakPolarHBondContact O-CB 3.46Å; V355-R376 PolarHBondContact O-N 3Å
356	L	96.1	Very high	88.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	112.8	161.9	-179	62.2	0	0	0	108.8	L41 L43 I46 F48 F49 G50 R376 F378	L41-L356 HydrophobicContact CD1-CD1 3.9Å; L43-L356 HydrophobicContact CD2-CD2 4.13Å; I46-L356 HydrophobicContact CD1-CB 4.14Å; I46-L356 HydrophobicContact CG1-CB 4.2Å; I46-L356 HydrophobicContact CG2-CB 3.73Å; F48-L356 PolarHBondContact O-N 3.43Å; F49-L356 WeakPolarHBondContact CA-O 3.33Å; F49-L356 HydrophobicContact CD1-CB 4.1Å; F49-L356 HydrophobicContact CD1-CD2 4.04Å; F49-L356 HydrophobicContact CD1-CG 4.47Å; F49-L356 HydrophobicContact CE1-CB 4.26Å; F49-L356 HydrophobicContact CE1-CD2 3.8Å; G50-L356 PolarHBondContact N-O 2.96Å; L356-R376 WeakPolarHBondContact CA-O 3.44Å; L356-R376 HydrophobicContact CD1-CB 3.83Å; L356-F378 HydrophobicContact CD1-CB 4.1Å; L356-F378 HydrophobicContact CG-CB 4.43Å
357	Y	95.7	Very high	87.5	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.3	177.4	-174.6	-115.5	0	0	0	111.2	G50 F263 L265 K301 F305 D365 W375 R376 T377 F378	G50-Y357 WeakPolarHBondContact O-CA 3.3Å; F263-Y357 HydrophobicContact CE2-CD2 4.24Å; F263-Y357 HydrophobicContact CE2-CE2 4.45Å; F263-Y357 HydrophobicContact CZ-CD2 4.35Å; L265-Y357 HydrophobicContact CB-CE2 4.06Å; L265-Y357 HydrophobicContact CD2-CE2 3.91Å; L265-Y357 PolarHBondContact O-OH 2.95Å; K301-Y357 WeakPolarHBondContact CD-OH 3.38Å; K301-Y357 PolarHBondContact NZ-OH 3.46Å; F305-Y357 HydrophobicContact CE2-CE1 4.09Å; F305-Y357 AromaticContact CZ-CD1 3.95Å; F305-Y357 HydrophobicContact CZ-CD1 3.95Å; F305-Y357 AromaticContact CZ-CE1 3.58Å; F305-Y357 HydrophobicContact CZ-CE1 3.58Å; F305-Y357 AromaticContact CZ-CZ 3.99Å; Y357-D365 HydrophobicContact CD1-CB 4.2Å; Y357-D365 WeakPolarHBondContact CD1-O 3.37Å; Y357-D365 HydrophobicContact CE1-CB 3.49Å; Y357-D365 VanDerWaalsContact CE1-CB 3.49Å; Y357-D365 VanDerWaalsContact CE1-OD1 3.31Å; Y357-D365 WeakPolarHBondContact CE1-OD1 3.42Å; Y357-D365 PolarHBondContact OH-OD1 3.21Å; Y357-W375 HydrophobicContact CD2-CE3 4.45Å; Y357-W375 HydrophobicContact CD2-CZ3 4.09Å; Y357-W375 HydrophobicContact CG-CE3 4.02Å; Y357-W375 HydrophobicContact CG-CZ3 4.1Å; Y357-R376 PolarHBondContact N-O 3.2Å; Y357-T377 WeakPolarHBondContact O-CA 3.21Å; Y357-F378 PolarHBondContact O-N 2.65Å
358	V	97.7	Very high	86.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.8	-174.2	-168.8	0	0	0	0	108.6	G50 F51 D52 T56 F378 V380 C474	G50-V358 PolarHBondContact O-N 3.5Å; F51-V358 WeakPolarHBondContact CA-O 3.17Å; F51-V358 HydrophobicContact CD1-CB 3.69Å; F51-V358 HydrophobicContact CD1-CG1 4.07Å; F51-V358 HydrophobicContact CD1-CG2 3.95Å; F51-V358 HydrophobicContact CE1-CB 3.96Å; F51-V358 HydrophobicContact CE1-CG1 4.19Å; F51-V358 HydrophobicContact CE1-CG2 3.73Å; F51-V358 HydrophobicContact CG-CB 4.43Å; F51-V358 HydrophobicContact CZ-CG2 4.27Å; D52-V358 PolarHBondContact N-O 3.44Å; T56-V358 HydrophobicContact CG2-CB 4.38Å; T56-V358 HydrophobicContact CG2-CG1 3.9Å; V358-F378 WeakPolarHBondContact CA-O 3.02Å; V358-F378 HydrophobicContact CB-CB 4.31Å; V358-F378 HydrophobicContact CG1-CB 4.15Å; V358-F378 HydrophobicContact CG1-CD1 3.7Å; V358-F378 HydrophobicContact CG1-CE1 4.41Å; V358-F378 HydrophobicContact CG1-CG 4.14Å; V358-F378 HydrophobicContact CG2-CB 3.99Å; V358-F378 HydrophobicContact CG2-CG 4.49Å; V358-V380 HydrophobicContact CG1-CG2 3.94Å; V358-C474 HydrophobicContact CG1-CB 3.74Å
359	G	95.2	Very high	85.7	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	167.5	-179.8	0	0	0	0	0	112.3	T56 F378 L379 V380	T56-G359 WeakPolarHBondContact OG1-CA 3.48Å; G359-F378 PolarHBondContact N-O 3.1Å; G359-F378 VanDerWaalsContact N-O 3.1Å; G359-L379 CarbonylContact O-C 3.56Å; G359-L379 WeakPolarHBondContact O-CA 3.45Å; G359-V380 PolarHBondContact O-N 2.69Å
360	D	93.1	Very high	84.7	Confident	5 Å²	5	31.9 Å²	31.9	3%	0.027	14%	0.143	C	C	.	.	S	Bend	trans	-98.4	-24.5	177.1	80.8	-61.2	0	0	0	112.3	T56 R115 L172 I362 L379 V380	T56-D360 PolarHBondContact OG1-N 2.95Å; R115-D360 PolarHBondContact NH1-O 3.25Å; L172-D360 HydrophobicContact CD1-CB 4.26Å; D360-I362 PolarHBondContact O-N 3.24Å; D360-L379 WeakPolarHBondContact O-CD1 3.49Å; D360-V380 HydrophobicContact CB-CB 4.39Å
361	H	90.2	Very high	83.6	Confident	45 Å²	45	37.9 Å²	37.9	21%	0.208	17%	0.167	C	C	.	.			trans	-96.3	104.3	-169.7	-173.3	44.3	0	0	0	112.5	T171 F363 G364 D365	T171-H361 WeakPolarHBondContact CG2-CE1 3.47Å; T171-H361 VanDerWaalsContact CG2-ND1 3.3Å; T171-H361 WeakPolarHBondContact CG2-ND1 3.46Å; H361-F363 VanDerWaalsContact C-N 3.26Å; H361-F363 PolarHBondContact O-N 3.1Å; H361-G364 PolarHBondContact CD2-N 3.14Å; H361-G364 PolarHBondContact NE2-N 3.31Å; H361-G364 PolarHBondContact O-N 3.26Å; H361-D365 WeakPolarHBondContact CB-OD2 3.49Å; H361-D365 PolarHBondContact N-OD2 2.98Å; H361-D365 VanDerWaalsContact N-OD2 3.11Å; H361-D365 VanDerWaalsContact O-CB 3.25Å; H361-D365 WeakPolarHBondContact O-CB 3.49Å; H361-D365 PolarHBondContact O-N 3.11Å
362	I	85.2	Confident	82.6	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	16%	0.164	C	C	.	.	I	π-helix	trans	-55.9	-34.9	-172.1	-155.1	151.4	0	0	0	114.9	D360 V366 L367 L379 Q462 V463	D360-I362 PolarHBondContact O-N 3.24Å; I362-V366 HydrophobicContact CG1-CB 4.5Å; I362-V366 WeakPolarHBondContact O-CB 3.35Å; I362-V366 PolarHBondContact O-N 3.28Å; I362-L367 WeakPolarHBondContact O-CB 3.44Å; I362-L367 PolarHBondContact O-N 3.14Å; I362-L379 HydrophobicContact CB-CD1 4.4Å; I362-L379 HydrophobicContact CD1-CD2 3.89Å; I362-L379 HydrophobicContact CG1-CD2 4.47Å; I362-Q462 VanDerWaalsContact CD1-C 3.42Å; I362-Q462 HydrophobicContact CD1-CB 3.44Å; I362-Q462 VanDerWaalsContact CD1-CB 3.44Å; I362-Q462 HydrophobicContact CG1-CB 4.2Å; I362-V463 HydrophobicContact CD1-CB 4.49Å; I362-V463 HydrophobicContact CD1-CG2 3.88Å
363	F	80.6	Confident	82	Confident	76 Å²	76	35.8 Å²	35.8	33%	0.333	17%	0.165	S	C	.	.	I	π-helix	trans	-84	-51	-178.3	-173.9	-103.6	0	0	0	111.9	P302 H361 L367	P302-F363 HydrophobicContact CB-CD1 4.5Å; P302-F363 HydrophobicContact CB-CE1 4.35Å; P302-F363 HydrophobicContact CG-CD1 4.25Å; P302-F363 HydrophobicContact CG-CE1 3.92Å; H361-F363 VanDerWaalsContact C-N 3.26Å; H361-F363 PolarHBondContact O-N 3.1Å; F363-L367 HydrophobicContact CD2-CD1 4.01Å; F363-L367 HydrophobicContact CD2-CD2 4.46Å; F363-L367 HydrophobicContact CE2-CD1 4.38Å; F363-L367 HydrophobicContact CE2-CD2 4.37Å
364	G	77.5	Confident	81.7	Confident	2 Å²	2	30.6 Å²	30.6	2%	0.021	16%	0.157	C	C	.	.	I	π-helix	trans	-69.2	-38.4	-178.4	0	0	0	0	0	113.8	F305 H361	F305-G364 WeakPolarHBondContact CD2-O 3.33Å; F305-G364 WeakPolarHBondContact CE2-O 3.36Å; H361-G364 PolarHBondContact CD2-N 3.14Å; H361-G364 PolarHBondContact NE2-N 3.31Å; H361-G364 PolarHBondContact O-N 3.26Å
365	D	75.6	Confident	81.6	Confident	1 Å²	1	29 Å²	29	1%	0.005	15%	0.149	C	C	.	.	I	π-helix	trans	-98.8	-45.7	-173.6	-66.9	-47	0	0	0	113.5	K301 Y357 H361 S369	K301-D365 WeakPolarHBondContact CD-OD1 3.41Å; K301-D365 WeakPolarHBondContact CE-OD1 3.09Å; K301-D365 IonicContact NZ-OD1 2.73Å; K301-D365 PolarHBondContact NZ-OD1 3.43Å; Y357-D365 HydrophobicContact CD1-CB 4.2Å; Y357-D365 WeakPolarHBondContact CD1-O 3.37Å; Y357-D365 HydrophobicContact CE1-CB 3.49Å; Y357-D365 VanDerWaalsContact CE1-CB 3.49Å; Y357-D365 VanDerWaalsContact CE1-OD1 3.31Å; Y357-D365 WeakPolarHBondContact CE1-OD1 3.42Å; Y357-D365 PolarHBondContact OH-OD1 3.21Å; H361-D365 WeakPolarHBondContact CB-OD2 3.49Å; H361-D365 PolarHBondContact N-OD2 2.98Å; H361-D365 VanDerWaalsContact N-OD2 3.11Å; H361-D365 VanDerWaalsContact O-CB 3.25Å; H361-D365 WeakPolarHBondContact O-CB 3.49Å; H361-D365 PolarHBondContact O-N 3.11Å; D365-S369 VanDerWaalsContact O-CB 3.25Å; D365-S369 WeakPolarHBondContact O-CB 3.42Å; D365-S369 PolarHBondContact O-OG 2.88Å
366	V	72.3	Confident	81.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	I	π-helix	trans	-97.7	-49	-165.9	-176.8	0	0	0	0	112.2	I362 S369 K370 T377 L379 Y466 A467	I362-V366 HydrophobicContact CG1-CB 4.5Å; I362-V366 WeakPolarHBondContact O-CB 3.35Å; I362-V366 PolarHBondContact O-N 3.28Å; V366-S369 PolarHBondContact O-OG 2.79Å; V366-K370 WeakPolarHBondContact O-CB 3.28Å; V366-K370 PolarHBondContact O-N 2.92Å; V366-T377 HydrophobicContact CB-CG2 4.4Å; V366-T377 HydrophobicContact CG1-CG2 3.82Å; V366-L379 HydrophobicContact CG2-CB 4.45Å; V366-L379 HydrophobicContact CG2-CD1 3.84Å; V366-Y466 WeakPolarHBondContact CG1-O 3.32Å; V366-A467 HydrophobicContact CG1-CB 4.5Å
367	L	73.3	Confident	81.5	Confident	13 Å²	13	30.2 Å²	30.2	7%	0.068	15%	0.154	C	C	.	.	I	π-helix	trans	-65	-47.6	-172.8	-174.8	154.1	0	0	0	112.1	I362 F363 K371 Y466	I362-L367 WeakPolarHBondContact O-CB 3.44Å; I362-L367 PolarHBondContact O-N 3.14Å; F363-L367 HydrophobicContact CD2-CD1 4.01Å; F363-L367 HydrophobicContact CD2-CD2 4.46Å; F363-L367 HydrophobicContact CE2-CD1 4.38Å; F363-L367 HydrophobicContact CE2-CD2 4.37Å; L367-K371 HydrophobicContact CD2-CD 3.89Å; L367-K371 PolarHBondContact O-N 3.04Å; L367-K371 VanDerWaalsContact O-N 3.15Å; L367-Y466 HydrophobicContact CB-CD1 4.35Å; L367-Y466 HydrophobicContact CB-CG 4.33Å; L367-Y466 HydrophobicContact CD1-CD1 4.46Å; L367-Y466 HydrophobicContact CD1-CD2 4.13Å; L367-Y466 HydrophobicContact CD1-CE1 3.96Å; L367-Y466 HydrophobicContact CD1-CE2 3.58Å; L367-Y466 VanDerWaalsContact CD1-CZ 3.48Å; L367-Y466 HydrophobicContact CG-CD1 4.12Å; L367-Y466 HydrophobicContact CG-CD2 4.49Å; L367-Y466 HydrophobicContact CG-CE1 3.87Å; L367-Y466 HydrophobicContact CG-CE2 4.26Å; L367-Y466 HydrophobicContact CG-CG 4.44Å
368	R	73.8	Confident	81.6	Confident	113 Å²	113	30.2 Å²	30.2	43%	0.426	15%	0.154	S	C	.	.	H	α-helix	trans	-76.3	-37.4	-175.2	-72.2	-72.2	-172.7	177.4	2.8	113.1	P302 F305 K370 G372	P302-R368 HydrophobicContact CB-CG 3.92Å; F305-R368 HydrophobicContact CB-CB 3.59Å; F305-R368 HydrophobicContact CD2-CB 4.38Å; F305-R368 HydrophobicContact CG-CB 4.23Å; R368-K370 VanDerWaalsContact C-N 3.28Å; R368-K370 PolarHBondContact O-N 3.21Å; R368-G372 PolarHBondContact O-N 3.16Å
369	S	69.3	Low	81.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.7	-38.5	174.5	61.3	0	0	0	0	111.9	D365 V366 R373 G374	D365-S369 VanDerWaalsContact O-CB 3.25Å; D365-S369 WeakPolarHBondContact O-CB 3.42Å; D365-S369 PolarHBondContact O-OG 2.88Å; V366-S369 PolarHBondContact O-OG 2.79Å; S369-R373 WeakPolarHBondContact O-CB 3.46Å; S369-R373 PolarHBondContact O-N 2.98Å; S369-G374 PolarHBondContact O-N 3.24Å
370	K	68.8	Low	81.5	Confident	50 Å²	50	30.3 Å²	30.3	22%	0.217	15%	0.154	C	C	.	.	H	α-helix	trans	-75.6	-50.3	-179.7	-169.8	163.4	-175.9	159.4	0	114.1	V366 R368 G372 G374 Y466 D468	V366-K370 WeakPolarHBondContact O-CB 3.28Å; V366-K370 PolarHBondContact O-N 2.92Å; R368-K370 VanDerWaalsContact C-N 3.28Å; R368-K370 PolarHBondContact O-N 3.21Å; K370-G372 VanDerWaalsContact C-N 3.3Å; K370-G372 PolarHBondContact O-N 3.39Å; K370-G374 PolarHBondContact O-N 3.32Å; K370-Y466 VanDerWaalsContact CD-O 3.29Å; K370-Y466 WeakPolarHBondContact CD-O 3.15Å; K370-Y466 PolarHBondContact NZ-O 3.1Å; K370-D468 IonicContact NZ-OD1 2.96Å; K370-D468 PolarHBondContact NZ-OD1 2.96Å
371	K	67	Low	81.5	Confident	139 Å²	139	30.1 Å²	30.1	60%	0.604	15%	0.153	S	C	*	.	H	α-helix	trans	-62.6	-33.3	-174.8	-78	-171.6	-179.8	-178.3	0	113.4	L367	L367-K371 HydrophobicContact CD2-CD 3.89Å; L367-K371 PolarHBondContact O-N 3.04Å; L367-K371 VanDerWaalsContact O-N 3.15Å
372	G	63.6	Low	81.5	Confident	56 Å²	56	30 Å²	30	58%	0.577	16%	0.157	S	C	*	.	H	α-helix	trans	-103.7	-28.2	-174.7	0	0	0	0	0	115.5	R368 K370	R368-G372 PolarHBondContact O-N 3.16Å; K370-G372 VanDerWaalsContact C-N 3.3Å; K370-G372 PolarHBondContact O-N 3.39Å
373	R	70.1	Confident	81.6	Confident	68 Å²	68	30.4 Å²	30.4	26%	0.257	16%	0.158	S	C	.	.	H	α-helix	trans	-127.2	-10	-162.8	-50.3	-68.1	-180	178.2	2.5	114.1	C341 E342 G352 S369 W375	C341-R373 HydrophobicContact CB-CG 4.32Å; E342-R373 IonicContact OE2-CZ 2.73Å; E342-R373 IonicContact OE2-NH1 3.05Å; E342-R373 PolarHBondContact OE2-NH1 3.39Å; E342-R373 IonicContact OE2-NH2 2.74Å; E342-R373 PolarHBondContact OE2-NH2 2.96Å; G352-R373 VanDerWaalsContact CA-O 3.22Å; G352-R373 WeakPolarHBondContact CA-O 3.23Å; S369-R373 WeakPolarHBondContact O-CB 3.46Å; S369-R373 PolarHBondContact O-N 2.98Å; R373-W375 HydrophobicContact CB-CG 4.44Å; R373-W375 PolarHBondContact O-N 3.35Å
374	G	81.3	Confident	82.1	Confident	35 Å²	35	27.3 Å²	27.3	36%	0.361	15%	0.145	S	C	.	.			trans	68.7	19.4	176.9	0	0	0	0	0	114.5	G352 R353 S369 K370	G352-G374 CarbonylContact C-O 3.52Å; G352-G374 VanDerWaalsContact C-O 3.3Å; R353-G374 PolarHBondContact N-O 3.12Å; S369-G374 PolarHBondContact O-N 3.24Å; K370-G374 PolarHBondContact O-N 3.32Å
375	W	91.7	Very high	82.5	Confident	5 Å²	5	29.5 Å²	29.5	2%	0.019	16%	0.156	C	C	.	.			trans	-62.8	141.7	173.7	-71.3	12.4	0	0	0	110.4	F263 W304 F305 C341 G352 V355 Y357 R373	F263-W375 HydrophobicContact CE2-CH2 4.15Å; F263-W375 HydrophobicContact CE2-CZ3 4.23Å; F263-W375 AromaticContact CZ-CH2 3.7Å; F263-W375 HydrophobicContact CZ-CH2 3.7Å; F263-W375 AromaticContact CZ-CZ3 3.8Å; F263-W375 HydrophobicContact CZ-CZ3 3.8Å; W304-W375 AromaticContact CH2-CH2 3.88Å; W304-W375 HydrophobicContact CH2-CH2 3.88Å; W304-W375 AromaticContact CZ3-CH2 3.76Å; W304-W375 HydrophobicContact CZ3-CH2 3.76Å; W304-W375 HydrophobicContact CZ3-CZ3 4.18Å; F305-W375 AromaticContact CE1-CE3 3.85Å; F305-W375 HydrophobicContact CE1-CE3 3.85Å; F305-W375 HydrophobicContact CE1-CH2 4.33Å; F305-W375 AromaticContact CE1-CZ3 3.63Å; F305-W375 HydrophobicContact CE1-CZ3 3.63Å; F305-W375 HydrophobicContact CZ-CZ3 4.25Å; C341-W375 WeakPolarHBondContact SG-CZ2 3.47Å; G352-W375 VanDerWaalsContact O-CA 3.3Å; G352-W375 WeakPolarHBondContact O-CA 3.25Å; V355-W375 HydrophobicContact CB-CB 4.43Å; V355-W375 HydrophobicContact CB-CD2 3.97Å; V355-W375 HydrophobicContact CB-CG 3.9Å; V355-W375 HydrophobicContact CG1-CD2 3.66Å; V355-W375 HydrophobicContact CG1-CE3 3.81Å; V355-W375 HydrophobicContact CG1-CG 4.07Å; V355-W375 HydrophobicContact CG1-CH2 4.35Å; V355-W375 HydrophobicContact CG1-CZ2 4.24Å; V355-W375 HydrophobicContact CG1-CZ3 4.14Å; V355-W375 HydrophobicContact CG2-CD2 4.39Å; V355-W375 HydrophobicContact CG2-CG 4.46Å; V355-W375 HydrophobicContact CG2-CZ2 4.38Å; Y357-W375 HydrophobicContact CD2-CE3 4.45Å; Y357-W375 HydrophobicContact CD2-CZ3 4.09Å; Y357-W375 HydrophobicContact CG-CE3 4.02Å; Y357-W375 HydrophobicContact CG-CZ3 4.1Å; R373-W375 HydrophobicContact CB-CG 4.44Å; R373-W375 PolarHBondContact O-N 3.35Å
376	R	94.1	Very high	82.9	Confident	26 Å²	26	30.4 Å²	30.4	10%	0.098	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	150.2	166	-56.7	-55.4	-60.4	-112.5	-3	109.1	R39 S40 L41 I46 V355 L356 Y357 D468 E569	R39-R376 PolarHBondContact O-NH2 3.03Å; S40-R376 VanDerWaalsContact O-CZ 3.28Å; S40-R376 PolarHBondContact O-NH1 2.89Å; S40-R376 PolarHBondContact O-NH2 3.32Å; L41-R376 HydrophobicContact CD1-CB 3.49Å; L41-R376 VanDerWaalsContact CD1-CB 3.49Å; L41-R376 HydrophobicContact CD1-CG 3.71Å; L41-R376 HydrophobicContact CG-CG 4.47Å; I46-R376 HydrophobicContact CD1-CB 4.4Å; I46-R376 HydrophobicContact CD1-CG 4.07Å; V355-R376 WeakPolarHBondContact O-CA 3.45Å; V355-R376 WeakPolarHBondContact O-CB 3.46Å; V355-R376 PolarHBondContact O-N 3Å; L356-R376 WeakPolarHBondContact CA-O 3.44Å; L356-R376 HydrophobicContact CD1-CB 3.83Å; Y357-R376 PolarHBondContact N-O 3.2Å; R376-D468 WeakPolarHBondContact CA-OD2 3.24Å; R376-D468 IonicContact CZ-OD2 2.94Å; R376-D468 IonicContact NE-OD2 2.72Å; R376-D468 PolarHBondContact NE-OD2 2.98Å; R376-D468 IonicContact NH2-OD2 3.26Å; R376-E569 IonicContact CZ-OE2 3.54Å; R376-E569 IonicContact NH1-OE2 3.06Å; R376-E569 PolarHBondContact NH1-OE2 2.99Å
377	T	95.3	Very high	83.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136	-170.4	54.6	0	0	0	0	112.8	Y357 V366 Y466 D468 L469	Y357-T377 WeakPolarHBondContact O-CA 3.21Å; V366-T377 HydrophobicContact CB-CG2 4.4Å; V366-T377 HydrophobicContact CG1-CG2 3.82Å; T377-Y466 PolarHBondContact OG1-O 3.23Å; T377-D468 PolarHBondContact N-OD2 2.88Å; T377-D468 WeakPolarHBondContact O-CB 3.28Å; T377-D468 PolarHBondContact O-N 2.95Å; T377-D468 VanDerWaalsContact O-N 3.1Å; T377-D468 PolarHBondContact OG1-N 2.93Å; T377-D468 VanDerWaalsContact OG1-N 3.1Å; T377-D468 PolarHBondContact OG1-OD2 2.62Å; T377-L469 PolarHBondContact O-N 3.36Å
378	F	97.2	Very high	84.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.7	170.6	-172.8	-68.5	0	0	0	108.7	V35 L356 Y357 V358 G359 V380 L469 A471 L477	V35-F378 HydrophobicContact CG1-CE2 3.85Å; V35-F378 HydrophobicContact CG2-CE2 3.98Å; V35-F378 HydrophobicContact CG2-CZ 4.31Å; L356-F378 HydrophobicContact CD1-CB 4.1Å; L356-F378 HydrophobicContact CG-CB 4.43Å; Y357-F378 PolarHBondContact O-N 2.65Å; V358-F378 WeakPolarHBondContact CA-O 3.02Å; V358-F378 HydrophobicContact CB-CB 4.31Å; V358-F378 HydrophobicContact CG1-CB 4.15Å; V358-F378 HydrophobicContact CG1-CD1 3.7Å; V358-F378 HydrophobicContact CG1-CE1 4.41Å; V358-F378 HydrophobicContact CG1-CG 4.14Å; V358-F378 HydrophobicContact CG2-CB 3.99Å; V358-F378 HydrophobicContact CG2-CG 4.49Å; G359-F378 PolarHBondContact N-O 3.1Å; G359-F378 VanDerWaalsContact N-O 3.1Å; F378-V380 HydrophobicContact CD1-CG2 4.23Å; F378-V380 HydrophobicContact CE1-CG2 4.15Å; F378-L469 CarbonylContact C-O 3.58Å; F378-L469 VanDerWaalsContact CA-O 3.28Å; F378-L469 WeakPolarHBondContact CA-O 3.46Å; F378-L469 HydrophobicContact CB-CB 4.46Å; F378-L469 HydrophobicContact CD2-CB 3.68Å; F378-L469 HydrophobicContact CD2-CD1 4.2Å; F378-L469 HydrophobicContact CE2-CB 4.3Å; F378-L469 HydrophobicContact CG-CB 4.28Å; F378-A471 HydrophobicContact CE1-CB 4.08Å; F378-A471 HydrophobicContact CZ-CB 3.57Å; F378-L477 HydrophobicContact CD2-CD1 4.21Å; F378-L477 HydrophobicContact CD2-CD2 4.25Å; F378-L477 HydrophobicContact CD2-CG 4.32Å; F378-L477 HydrophobicContact CE2-CD1 4.12Å; F378-L477 HydrophobicContact CE2-CD2 3.88Å; F378-L477 HydrophobicContact CE2-CG 3.8Å; F378-L477 HydrophobicContact CZ-CG 4.46Å
379	L	96.5	Very high	84.7	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.5	177.7	-175.8	73.1	0	0	0	111.3	G359 D360 I362 V366 V381 V463 A467 L469 Y470 A471	G359-L379 CarbonylContact O-C 3.56Å; G359-L379 WeakPolarHBondContact O-CA 3.45Å; D360-L379 WeakPolarHBondContact O-CD1 3.49Å; I362-L379 HydrophobicContact CB-CD1 4.4Å; I362-L379 HydrophobicContact CD1-CD2 3.89Å; I362-L379 HydrophobicContact CG1-CD2 4.47Å; V366-L379 HydrophobicContact CG2-CB 4.45Å; V366-L379 HydrophobicContact CG2-CD1 3.84Å; L379-V381 HydrophobicContact CB-CG2 4.48Å; L379-V381 HydrophobicContact CD2-CG2 3.58Å; L379-V381 HydrophobicContact CG-CG2 3.7Å; L379-V463 HydrophobicContact CD2-CB 4.34Å; L379-V463 HydrophobicContact CD2-CG1 4.17Å; L379-V463 HydrophobicContact CD2-CG2 3.62Å; L379-A467 HydrophobicContact CB-CB 3.68Å; L379-A467 HydrophobicContact CD2-CB 4.36Å; L379-L469 PolarHBondContact N-O 2.86Å; L379-Y470 WeakPolarHBondContact O-CA 3.42Å; L379-Y470 VanDerWaalsContact O-CB 3.31Å; L379-Y470 WeakPolarHBondContact O-CB 3.35Å; L379-A471 PolarHBondContact O-N 2.8Å; L379-A471 VanDerWaalsContact O-N 3.13Å
380	V	95.1	Very high	85.4	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119	171	-177.2	0	0	0	0	109.2	T56 R115 V358 G359 D360 F378 P382 A471 H472 C474	T56-V380 HydrophobicContact CG2-CG2 4.19Å; R115-V380 PolarHBondContact NH2-O 2.57Å; V358-V380 HydrophobicContact CG1-CG2 3.94Å; G359-V380 PolarHBondContact O-N 2.69Å; D360-V380 HydrophobicContact CB-CB 4.39Å; F378-V380 HydrophobicContact CD1-CG2 4.23Å; F378-V380 HydrophobicContact CE1-CG2 4.15Å; V380-P382 HydrophobicContact CG1-CG 4.16Å; V380-A471 WeakPolarHBondContact CA-O 3.45Å; V380-H472 WeakPolarHBondContact CG1-O 3.48Å; V380-C474 HydrophobicContact CG2-CB 4.36Å
381	V	93	Very high	86.2	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.			trans	-127.3	79.2	-179.6	-170	0	0	0	0	109.3	L379 E383 L384 L449 F450 F459 A471 H472	L379-V381 HydrophobicContact CB-CG2 4.48Å; L379-V381 HydrophobicContact CD2-CG2 3.58Å; L379-V381 HydrophobicContact CG-CG2 3.7Å; V381-E383 WeakPolarHBondContact CG1-OE2 3.43Å; V381-E383 PolarHBondContact O-N 3.07Å; V381-E383 VanDerWaalsContact O-N 3.09Å; V381-L384 HydrophobicContact CB-CB 4.26Å; V381-L384 HydrophobicContact CG1-CB 4.27Å; V381-L384 WeakPolarHBondContact O-CB 3.42Å; V381-L384 PolarHBondContact O-N 3.2Å; V381-L449 HydrophobicContact CG1-CD2 3.9Å; V381-F450 HydrophobicContact CG1-CZ 4.02Å; V381-F459 HydrophobicContact CG1-CE1 4.29Å; V381-F459 HydrophobicContact CG1-CZ 4.35Å; V381-A471 PolarHBondContact N-O 2.72Å; V381-H472 VanDerWaalsContact O-CA 3.29Å; V381-H472 WeakPolarHBondContact O-CA 3.49Å
382	P	90.4	Very high	87	Confident	44 Å²	44	30.6 Å²	30.6	29%	0.286	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.5	-175.4	-26.8	36.9	0	0	0	113.4	L172 V380 L384 L385	L172-P382 HydrophobicContact CD1-CG 3.91Å; V380-P382 HydrophobicContact CG1-CG 4.16Å; P382-L384 PolarHBondContact O-N 3.37Å; P382-L384 VanDerWaalsContact O-N 3.16Å; P382-L385 PolarHBondContact O-N 2.84Å
383	E	87.9	Confident	88	Confident	9 Å²	9	34.2 Å²	34.2	4%	0.042	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.6	178.5	-51.9	99	133.2	0	0	113.1	F112 R115 L172 V381 L385 H386 E387 L449	F112-E383 HydrophobicContact CD1-CG 4.05Å; F112-E383 HydrophobicContact CE1-CG 4.08Å; R115-E383 WeakPolarHBondContact CG-OE1 3.42Å; R115-E383 IonicContact CZ-OE1 2.61Å; R115-E383 IonicContact CZ-OE2 3.35Å; R115-E383 IonicContact NE-OE1 3.9Å; R115-E383 PolarHBondContact NE-OE1 3.4Å; R115-E383 IonicContact NE-OE2 2.8Å; R115-E383 IonicContact NH2-OE1 2.99Å; R115-E383 IonicContact NH2-OE2 2.97Å; R115-E383 PolarHBondContact NH2-OE2 3.14Å; L172-E383 WeakPolarHBondContact CD2-OE1 3.46Å; V381-E383 WeakPolarHBondContact CG1-OE2 3.43Å; V381-E383 PolarHBondContact O-N 3.07Å; V381-E383 VanDerWaalsContact O-N 3.09Å; E383-L385 PolarHBondContact O-N 3.01Å; E383-H386 PolarHBondContact O-N 2.7Å; E383-E387 PolarHBondContact O-N 2.86Å; E383-L449 HydrophobicContact CB-CD2 3.81Å; E383-L449 HydrophobicContact CG-CD2 4.32Å
384	L	89.3	Confident	88.8	Confident	10 Å²	10	36.4 Å²	36.4	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-30.6	179.2	-176.4	63.6	0	0	0	112.3	F36 V381 P382 E387 L388 F450 Y470 H472	F36-L384 HydrophobicContact CD2-CD2 3.68Å; F36-L384 HydrophobicContact CE2-CD2 3.66Å; F36-L384 HydrophobicContact CE2-CG 4.41Å; V381-L384 HydrophobicContact CB-CB 4.26Å; V381-L384 HydrophobicContact CG1-CB 4.27Å; V381-L384 WeakPolarHBondContact O-CB 3.42Å; V381-L384 PolarHBondContact O-N 3.2Å; P382-L384 PolarHBondContact O-N 3.37Å; P382-L384 VanDerWaalsContact O-N 3.16Å; L384-E387 PolarHBondContact O-N 2.81Å; L384-L388 HydrophobicContact CD1-CD1 4.42Å; L384-L388 HydrophobicContact CD1-CG 4.21Å; L384-L388 HydrophobicContact CD2-CD1 4.5Å; L384-L388 HydrophobicContact CG-CD1 3.95Å; L384-L388 HydrophobicContact CG-CG 4.2Å; L384-L388 WeakPolarHBondContact O-CB 3.41Å; L384-L388 VanDerWaalsContact O-CG 3.24Å; L384-L388 WeakPolarHBondContact O-CG 3.23Å; L384-L388 PolarHBondContact O-N 3.47Å; L384-F450 HydrophobicContact CD1-CE2 3.72Å; L384-F450 HydrophobicContact CD1-CZ 4.06Å; L384-Y470 HydrophobicContact CD1-CE2 4.31Å; L384-Y470 HydrophobicContact CD2-CD2 3.89Å; L384-Y470 HydrophobicContact CD2-CE2 3.95Å; L384-H472 HydrophobicContact CB-CB 4.38Å
385	L	86.3	Confident	89.1	Confident	48 Å²	48	40.9 Å²	40.9	25%	0.251	19%	0.189	S	C	.	.	H	α-helix	trans	-60.9	-47.3	178.2	-177.9	61.8	0	0	0	111.4	D32 P382 E383 L388 Q389 H472	D32-L385 HydrophobicContact CB-CD1 4.19Å; D32-L385 WeakPolarHBondContact OD1-CD1 3.45Å; P382-L385 PolarHBondContact O-N 2.84Å; E383-L385 PolarHBondContact O-N 3.01Å; L385-L388 PolarHBondContact O-N 3.12Å; L385-Q389 VanDerWaalsContact O-CG 3.3Å; L385-Q389 WeakPolarHBondContact O-CG 3.43Å; L385-Q389 PolarHBondContact O-N 3.01Å; L385-H472 HydrophobicContact CB-CB 4.27Å
386	H	83.8	Confident	89	Confident	20 Å²	20	43.1 Å²	43.1	9%	0.093	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-43.5	176.4	175.1	61.5	0	0	0	111.3	F109 F112 E383 L388 Q389 I390 Y443	F109-H386 AromaticContact CD1-CE1 3.61Å; F109-H386 AromaticContact CE1-CE1 3.63Å; F109-H386 AromaticContact CE1-ND1 3.88Å; F112-H386 HydrophobicContact CE2-CB 4.29Å; E383-H386 PolarHBondContact O-N 2.7Å; H386-L388 VanDerWaalsContact C-N 3.32Å; H386-L388 PolarHBondContact O-N 3.38Å; H386-Q389 PolarHBondContact O-N 2.81Å; H386-I390 WeakPolarHBondContact O-CG1 3.24Å; H386-I390 PolarHBondContact O-N 2.88Å; H386-Y443 PolarHBondContact NE2-O 3.19Å
387	E	86.5	Confident	88.8	Confident	18 Å²	18	42.8 Å²	42.8	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-56	-45.5	176.1	-70.6	-77.1	155.6	0	0	112	E383 L384 W391 Y443 S448 L449 F450	E383-E387 PolarHBondContact O-N 2.86Å; L384-E387 PolarHBondContact O-N 2.81Å; E387-W391 WeakPolarHBondContact O-CB 3.45Å; E387-W391 PolarHBondContact O-N 2.8Å; E387-Y443 HydrophobicContact CB-CE1 4.46Å; E387-Y443 VanDerWaalsContact CD-CD1 3.49Å; E387-Y443 VanDerWaalsContact OE2-CD1 3.25Å; E387-Y443 WeakPolarHBondContact OE2-CD1 3.34Å; E387-Y443 WeakPolarHBondContact OE2-CE1 3.36Å; E387-S448 VanDerWaalsContact CD-OG 3.31Å; E387-S448 VanDerWaalsContact OE1-CA 3.24Å; E387-S448 WeakPolarHBondContact OE1-CA 3.25Å; E387-S448 PolarHBondContact OE1-OG 2.76Å; E387-S448 WeakPolarHBondContact OE2-CB 3.47Å; E387-S448 PolarHBondContact OE2-OG 3.44Å; E387-L449 HydrophobicContact CG-CB 4.46Å; E387-L449 WeakPolarHBondContact OE1-CB 3.47Å; E387-L449 PolarHBondContact OE1-N 2.94Å; E387-F450 HydrophobicContact CG-CD2 3.95Å; E387-F450 HydrophobicContact CG-CE2 4Å
388	L	86.5	Confident	88.3	Confident	21 Å²	21	46.3 Å²	46.3	11%	0.11	23%	0.229	C	C	.	.	H	α-helix	trans	-68.9	-36.7	179.7	-69.4	171.7	0	0	0	112.8	L31 F36 L384 L385 H386 T392	L31-L388 HydrophobicContact CB-CD1 4.45Å; F36-L388 HydrophobicContact CE1-CD2 4.39Å; F36-L388 HydrophobicContact CE2-CD1 3.83Å; F36-L388 HydrophobicContact CZ-CD1 3.7Å; F36-L388 HydrophobicContact CZ-CD2 3.76Å; F36-L388 HydrophobicContact CZ-CG 4.35Å; L384-L388 HydrophobicContact CD1-CD1 4.42Å; L384-L388 HydrophobicContact CD1-CG 4.21Å; L384-L388 HydrophobicContact CD2-CD1 4.5Å; L384-L388 HydrophobicContact CG-CD1 3.95Å; L384-L388 HydrophobicContact CG-CG 4.2Å; L384-L388 WeakPolarHBondContact O-CB 3.41Å; L384-L388 VanDerWaalsContact O-CG 3.24Å; L384-L388 WeakPolarHBondContact O-CG 3.23Å; L384-L388 PolarHBondContact O-N 3.47Å; L385-L388 PolarHBondContact O-N 3.12Å; H386-L388 VanDerWaalsContact C-N 3.32Å; H386-L388 PolarHBondContact O-N 3.38Å; L388-T392 WeakPolarHBondContact O-CB 3.22Å; L388-T392 PolarHBondContact O-N 3.41Å; L388-T392 PolarHBondContact O-OG1 3.29Å
389	Q	84.7	Confident	88.1	Confident	80 Å²	80	49.7 Å²	49.7	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-61.8	-52.9	174.5	-74.7	172.9	-4.5	0	0	110.4	L385 H386 W391 T392 E393	L385-Q389 VanDerWaalsContact O-CG 3.3Å; L385-Q389 WeakPolarHBondContact O-CG 3.43Å; L385-Q389 PolarHBondContact O-N 3.01Å; H386-Q389 PolarHBondContact O-N 2.81Å; Q389-W391 PolarHBondContact O-N 3.36Å; Q389-T392 PolarHBondContact O-N 3.31Å; Q389-E393 WeakPolarHBondContact O-CB 3.31Å; Q389-E393 WeakPolarHBondContact O-CG 3.36Å; Q389-E393 PolarHBondContact O-N 3.5Å
390	I	84.8	Confident	87.9	Confident	7 Å²	7	55.2 Å²	55.2	4%	0.036	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-44.2	178	-63.3	-58	0	0	0	111.2	F109 H386 T392 E393 R394 C442 Y443	F109-I390 HydrophobicContact CE1-CD1 4.39Å; H386-I390 WeakPolarHBondContact O-CG1 3.24Å; H386-I390 PolarHBondContact O-N 2.88Å; I390-T392 PolarHBondContact O-N 2.79Å; I390-E393 PolarHBondContact O-N 3.5Å; I390-R394 HydrophobicContact CG2-CB 4.45Å; I390-R394 HydrophobicContact CG2-CG 4.03Å; I390-R394 WeakPolarHBondContact O-CA 3.36Å; I390-R394 VanDerWaalsContact O-CB 3.22Å; I390-R394 WeakPolarHBondContact O-CB 3.36Å; I390-R394 WeakPolarHBondContact O-CG 3.26Å; I390-R394 PolarHBondContact O-N 2.99Å; I390-C442 WeakPolarHBondContact CD1-O 3.37Å; I390-C442 HydrophobicContact CG2-CB 3.71Å; I390-Y443 HydrophobicContact CB-CD1 3.92Å; I390-Y443 HydrophobicContact CB-CE1 3.66Å; I390-Y443 HydrophobicContact CG1-CD1 4.32Å; I390-Y443 HydrophobicContact CG2-CD1 3.81Å; I390-Y443 HydrophobicContact CG2-CD2 4.04Å; I390-Y443 HydrophobicContact CG2-CE1 3.55Å; I390-Y443 HydrophobicContact CG2-CE2 3.79Å; I390-Y443 HydrophobicContact CG2-CG 4.04Å
391	W	85.1	Confident	87.7	Confident	119 Å²	119	55.9 Å²	55.9	45%	0.451	27%	0.271	S	S	.	.	H	α-helix	trans	-55.7	-41.1	177	-179.6	-94.9	0	0	0	112.4	E387 Q389 K395 F398	E387-W391 WeakPolarHBondContact O-CB 3.45Å; E387-W391 PolarHBondContact O-N 2.8Å; Q389-W391 PolarHBondContact O-N 3.36Å; W391-K395 PolarHBondContact O-N 2.98Å; W391-F398 AromaticContact CH2-CD2 3.55Å; W391-F398 HydrophobicContact CH2-CD2 3.55Å; W391-F398 AromaticContact CH2-CE2 3.46Å; W391-F398 HydrophobicContact CH2-CE2 3.46Å; W391-F398 VanDerWaalsContact CH2-CE2 3.46Å; W391-F398 HydrophobicContact CH2-CG 4.15Å; W391-F398 AromaticContact CH2-CZ 3.98Å; W391-F398 HydrophobicContact CH2-CZ 3.98Å; W391-F398 HydrophobicContact CZ2-CD2 4.27Å; W391-F398 HydrophobicContact CZ2-CE1 4.49Å; W391-F398 HydrophobicContact CZ2-CE2 4.19Å; W391-F398 HydrophobicContact CZ2-CG 4.47Å; W391-F398 HydrophobicContact CZ2-CZ 4.29Å; W391-F398 AromaticContact CZ3-CD2 3.97Å; W391-F398 HydrophobicContact CZ3-CD2 3.97Å; W391-F398 HydrophobicContact CZ3-CE2 4.22Å
392	T	84.1	Confident	87.5	Confident	74 Å²	74	60.8 Å²	60.8	45%	0.454	29%	0.294	S	S	.	.	H	α-helix	trans	-75.6	-48.6	-178.7	-57.3	0	0	0	0	111.8	L31 L388 Q389 I390 K395	L31-T392 WeakPolarHBondContact CD1-OG1 3.29Å; L388-T392 WeakPolarHBondContact O-CB 3.22Å; L388-T392 PolarHBondContact O-N 3.41Å; L388-T392 PolarHBondContact O-OG1 3.29Å; Q389-T392 PolarHBondContact O-N 3.31Å; I390-T392 PolarHBondContact O-N 2.79Å; T392-K395 WeakPolarHBondContact O-CB 3.33Å
393	E	84.8	Confident	87.7	Confident	132 Å²	132	66.1 Å²	66.1	62%	0.617	31%	0.313	S	S	*	.	H	α-helix	trans	-69.8	-34.5	-177.4	-69.2	-179.4	178.5	0	0	112.7	Q389 I390	Q389-E393 WeakPolarHBondContact O-CB 3.31Å; Q389-E393 WeakPolarHBondContact O-CG 3.36Å; Q389-E393 PolarHBondContact O-N 3.5Å; I390-E393 PolarHBondContact O-N 3.5Å
394	R	85.6	Confident	87.9	Confident	115 Å²	115	66.7 Å²	66.7	43%	0.434	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	18.9	-178.6	-53.9	-61.6	177.9	173.7	-2.8	113.2	I390 G396 L397 C442	I390-R394 HydrophobicContact CG2-CB 4.45Å; I390-R394 HydrophobicContact CG2-CG 4.03Å; I390-R394 WeakPolarHBondContact O-CA 3.36Å; I390-R394 VanDerWaalsContact O-CB 3.22Å; I390-R394 WeakPolarHBondContact O-CB 3.36Å; I390-R394 WeakPolarHBondContact O-CG 3.26Å; I390-R394 PolarHBondContact O-N 2.99Å; R394-G396 PolarHBondContact O-N 3.18Å; R394-L397 HydrophobicContact CB-CD1 4.27Å; R394-L397 WeakPolarHBondContact O-CB 3.49Å; R394-L397 PolarHBondContact O-N 3.47Å; R394-C442 HydrophobicContact CG-CB 4.13Å
395	K	87.4	Confident	87.9	Confident	128 Å²	128	70.2 Å²	70.2	56%	0.557	34%	0.335	S	S	*	.	H	α-helix	trans	-49.1	-31.3	174.5	-178.4	179.5	179.1	-179.8	0	113.5	W391 T392 L397 F398 L399	W391-K395 PolarHBondContact O-N 2.98Å; T392-K395 WeakPolarHBondContact O-CB 3.33Å; K395-L397 VanDerWaalsContact C-N 3.33Å; K395-L397 PolarHBondContact O-N 2.64Å; K395-F398 PolarHBondContact O-N 2.94Å; K395-L399 HydrophobicContact CG-CD1 4.15Å; K395-L399 HydrophobicContact CG-CG 4.24Å; K395-L399 WeakPolarHBondContact O-CG 3.42Å; K395-L399 PolarHBondContact O-N 2.93Å
396	G	91.3	Very high	88.1	Confident	52 Å²	52	72.7 Å²	72.7	54%	0.536	35%	0.352	S	S	.	.	H	α-helix	trans	-59	-38.9	175	0	0	0	0	0	113.8	R394 R400	R394-G396 PolarHBondContact O-N 3.18Å; G396-R400 WeakPolarHBondContact O-CB 3.33Å; G396-R400 PolarHBondContact O-N 3.35Å
397	L	89	Confident	88.6	Confident	19 Å²	19	73.9 Å²	73.9	10%	0.099	36%	0.363	C	S	.	.	H	α-helix	trans	-67.9	-43.3	175.7	-64.7	179.6	0	0	0	111	R394 K395 L399 R400 L401 E438 M439	R394-L397 HydrophobicContact CB-CD1 4.27Å; R394-L397 WeakPolarHBondContact O-CB 3.49Å; R394-L397 PolarHBondContact O-N 3.47Å; K395-L397 VanDerWaalsContact C-N 3.33Å; K395-L397 PolarHBondContact O-N 2.64Å; L397-L399 PolarHBondContact O-N 3.07Å; L397-R400 WeakPolarHBondContact O-CB 3.41Å; L397-R400 PolarHBondContact O-N 3.2Å; L397-R400 VanDerWaalsContact O-N 3.16Å; L397-L401 PolarHBondContact O-N 3.25Å; L397-E438 HydrophobicContact CD1-CG 3.99Å; L397-E438 HydrophobicContact CD2-CG 4.21Å; L397-M439 HydrophobicContact CD1-CB 4.35Å
398	F	85.8	Confident	88.8	Confident	74 Å²	74	75.1 Å²	75.1	33%	0.325	37%	0.369	S	S	.	.	H	α-helix	trans	-60.1	-47.2	175.9	178.3	-98.6	0	0	0	112.1	W391 K395 R400 L401 Q402	W391-F398 AromaticContact CH2-CD2 3.55Å; W391-F398 HydrophobicContact CH2-CD2 3.55Å; W391-F398 AromaticContact CH2-CE2 3.46Å; W391-F398 HydrophobicContact CH2-CE2 3.46Å; W391-F398 VanDerWaalsContact CH2-CE2 3.46Å; W391-F398 HydrophobicContact CH2-CG 4.15Å; W391-F398 AromaticContact CH2-CZ 3.98Å; W391-F398 HydrophobicContact CH2-CZ 3.98Å; W391-F398 HydrophobicContact CZ2-CD2 4.27Å; W391-F398 HydrophobicContact CZ2-CE1 4.49Å; W391-F398 HydrophobicContact CZ2-CE2 4.19Å; W391-F398 HydrophobicContact CZ2-CG 4.47Å; W391-F398 HydrophobicContact CZ2-CZ 4.29Å; W391-F398 AromaticContact CZ3-CD2 3.97Å; W391-F398 HydrophobicContact CZ3-CD2 3.97Å; W391-F398 HydrophobicContact CZ3-CE2 4.22Å; K395-F398 PolarHBondContact O-N 2.94Å; F398-R400 VanDerWaalsContact C-N 3.26Å; F398-R400 PolarHBondContact O-N 2.85Å; F398-L401 PolarHBondContact O-N 3.28Å; F398-Q402 PolarHBondContact O-N 2.9Å
399	L	91.4	Very high	88.9	Confident	71 Å²	71	76.4 Å²	76.4	37%	0.372	39%	0.388	S	S	.	.	H	α-helix	trans	-62.7	-33.9	176	-69.8	175	0	0	0	112.2	K395 L397 K403	K395-L399 HydrophobicContact CG-CD1 4.15Å; K395-L399 HydrophobicContact CG-CG 4.24Å; K395-L399 WeakPolarHBondContact O-CG 3.42Å; K395-L399 PolarHBondContact O-N 2.93Å; L397-L399 PolarHBondContact O-N 3.07Å; L399-K403 VanDerWaalsContact O-CG 3.26Å; L399-K403 WeakPolarHBondContact O-CG 3.42Å; L399-K403 PolarHBondContact O-N 3.48Å
400	R	93.2	Very high	89.2	Confident	116 Å²	116	75.8 Å²	75.8	44%	0.438	39%	0.392	S	S	.	.	H	α-helix	trans	-67.5	-43.2	174.8	-174.5	176.8	-179.6	177.1	2.3	111.4	G396 L397 F398 K403 L404 V435	G396-R400 WeakPolarHBondContact O-CB 3.33Å; G396-R400 PolarHBondContact O-N 3.35Å; L397-R400 WeakPolarHBondContact O-CB 3.41Å; L397-R400 PolarHBondContact O-N 3.2Å; L397-R400 VanDerWaalsContact O-N 3.16Å; F398-R400 VanDerWaalsContact C-N 3.26Å; F398-R400 PolarHBondContact O-N 2.85Å; R400-K403 PolarHBondContact O-N 3.11Å; R400-L404 HydrophobicContact CG-CD1 4.45Å; R400-L404 WeakPolarHBondContact O-CG 3.5Å; R400-L404 PolarHBondContact O-N 3.12Å; R400-V435 HydrophobicContact CB-CG1 4.42Å; R400-V435 HydrophobicContact CG-CG1 4.47Å; R400-V435 HydrophobicContact CG-CG2 4.06Å
401	L	90.1	Very high	89.4	Confident	17 Å²	17	77.8 Å²	77.8	9%	0.089	41%	0.405	C	S	.	.	H	α-helix	trans	-61	-47.2	175.7	-172.2	61.7	0	0	0	110.9	L397 F398 K403 L404 D405 I432 V435	L397-L401 PolarHBondContact O-N 3.25Å; F398-L401 PolarHBondContact O-N 3.28Å; L401-K403 VanDerWaalsContact C-N 3.32Å; L401-K403 PolarHBondContact O-N 3.24Å; L401-L404 WeakPolarHBondContact O-CB 3.24Å; L401-L404 PolarHBondContact O-N 3.47Å; L401-D405 PolarHBondContact O-N 3.37Å; L401-I432 HydrophobicContact CD1-CB 4.47Å; L401-I432 HydrophobicContact CD1-CG1 4.43Å; L401-I432 HydrophobicContact CD1-CG2 3.96Å; L401-V435 HydrophobicContact CB-CG1 4.17Å
402	Q	89.5	Confident	89.6	Confident	102 Å²	102	76.6 Å²	76.6	48%	0.477	40%	0.403	S	S	.	.	H	α-helix	trans	-58.2	-41.8	175.5	-173.4	179	44.5	0	0	112.5	F398 L404 D405 V406	F398-Q402 PolarHBondContact O-N 2.9Å; Q402-L404 VanDerWaalsContact C-N 3.31Å; Q402-L404 PolarHBondContact O-N 3.39Å; Q402-D405 PolarHBondContact O-N 2.96Å; Q402-V406 WeakPolarHBondContact O-CG2 3.49Å; Q402-V406 PolarHBondContact O-N 3.35Å
403	K	94.4	Very high	89.6	Confident	156 Å²	156	80 Å²	80	68%	0.678	41%	0.411	S	S	*	.	H	α-helix	trans	-63.3	-37.3	175.3	-75.9	174	-176.4	-176.7	0	112.3	L399 R400 L401 S407	L399-K403 VanDerWaalsContact O-CG 3.26Å; L399-K403 WeakPolarHBondContact O-CG 3.42Å; L399-K403 PolarHBondContact O-N 3.48Å; R400-K403 PolarHBondContact O-N 3.11Å; L401-K403 VanDerWaalsContact C-N 3.32Å; L401-K403 PolarHBondContact O-N 3.24Å; K403-S407 WeakPolarHBondContact O-CB 3.35Å; K403-S407 PolarHBondContact O-N 2.92Å
404	L	93.1	Very high	89.6	Confident	22 Å²	22	81 Å²	81	12%	0.115	42%	0.421	C	S	.	.	H	α-helix	trans	-68.6	-38.8	176.6	-69.8	167.6	0	0	0	111.5	R400 L401 Q402 S407 L408 D431 I432 V435	R400-L404 HydrophobicContact CG-CD1 4.45Å; R400-L404 WeakPolarHBondContact O-CG 3.5Å; R400-L404 PolarHBondContact O-N 3.12Å; L401-L404 WeakPolarHBondContact O-CB 3.24Å; L401-L404 PolarHBondContact O-N 3.47Å; Q402-L404 VanDerWaalsContact C-N 3.31Å; Q402-L404 PolarHBondContact O-N 3.39Å; L404-S407 WeakPolarHBondContact O-CB 3.46Å; L404-S407 PolarHBondContact O-N 3.02Å; L404-L408 WeakPolarHBondContact O-CB 3.36Å; L404-L408 PolarHBondContact O-N 2.9Å; L404-D431 HydrophobicContact CD1-CB 3.91Å; L404-D431 HydrophobicContact CD2-CB 3.89Å; L404-I432 HydrophobicContact CB-CD1 4.22Å; L404-I432 HydrophobicContact CB-CG1 3.64Å; L404-I432 HydrophobicContact CD1-CG1 4.02Å; L404-I432 HydrophobicContact CG-CG1 4.38Å; L404-V435 HydrophobicContact CD1-CB 4.5Å; L404-V435 HydrophobicContact CD1-CG2 4.05Å
405	D	89.3	Confident	89.7	Confident	84 Å²	84	78.7 Å²	78.7	45%	0.449	42%	0.416	S	S	.	.	H	α-helix	trans	-64.3	-43	174.5	-70.4	-27.8	0	0	0	111.7	L401 Q402 S407 L408 G409	L401-D405 PolarHBondContact O-N 3.37Å; Q402-D405 PolarHBondContact O-N 2.96Å; D405-S407 VanDerWaalsContact C-N 3.34Å; D405-S407 PolarHBondContact O-N 3.01Å; D405-L408 PolarHBondContact O-N 3.34Å; D405-G409 PolarHBondContact O-N 3.16Å
406	V	90.9	Very high	89.9	Confident	100 Å²	100	77.4 Å²	77.4	61%	0.606	42%	0.415	S	S	*	.	H	α-helix	trans	-62.6	-41.8	173.4	171.5	0	0	0	0	111.2	Q402 G409 S410	Q402-V406 WeakPolarHBondContact O-CG2 3.49Å; Q402-V406 PolarHBondContact O-N 3.35Å; V406-G409 PolarHBondContact O-N 3.49Å; V406-S410 WeakPolarHBondContact O-CB 3.24Å; V406-S410 PolarHBondContact O-N 3.43Å
407	S	92.7	Very high	89.8	Confident	45 Å²	45	81.1 Å²	81.1	32%	0.315	43%	0.433	S	S	.	.	H	α-helix	trans	-60.8	-45.7	175.9	-174.5	0	0	0	0	111.1	K403 L404 D405 G409 S410 V411	K403-S407 WeakPolarHBondContact O-CB 3.35Å; K403-S407 PolarHBondContact O-N 2.92Å; L404-S407 WeakPolarHBondContact O-CB 3.46Å; L404-S407 PolarHBondContact O-N 3.02Å; D405-S407 VanDerWaalsContact C-N 3.34Å; D405-S407 PolarHBondContact O-N 3.01Å; S407-G409 PolarHBondContact O-N 2.75Å; S407-S410 PolarHBondContact O-N 2.93Å; S407-S410 VanDerWaalsContact O-N 3.13Å; S407-S410 PolarHBondContact O-OG 2.91Å; S407-V411 WeakPolarHBondContact O-CG2 3.3Å; S407-V411 PolarHBondContact O-N 3.2Å; S407-V411 VanDerWaalsContact O-N 3.09Å
408	L	91.7	Very high	89.8	Confident	43 Å²	43	84.7 Å²	84.7	23%	0.225	46%	0.459	C	S	.	.	H	α-helix	trans	-59.2	-47.3	175.9	-174.5	62.7	0	0	0	111.4	L404 D405 S410 V411 F412 I425 I428 I432	L404-L408 WeakPolarHBondContact O-CB 3.36Å; L404-L408 PolarHBondContact O-N 2.9Å; D405-L408 PolarHBondContact O-N 3.34Å; L408-S410 VanDerWaalsContact C-N 3.28Å; L408-S410 PolarHBondContact O-N 3.49Å; L408-V411 PolarHBondContact O-N 3.37Å; L408-F412 HydrophobicContact CD1-CD2 4.42Å; L408-F412 HydrophobicContact CD1-CE2 3.97Å; L408-F412 WeakPolarHBondContact O-CD2 3.48Å; L408-I425 HydrophobicContact CD1-CB 4.03Å; L408-I425 HydrophobicContact CD1-CD1 4.09Å; L408-I425 HydrophobicContact CD1-CG2 3.81Å; L408-I428 HydrophobicContact CB-CG2 4.08Å; L408-I428 HydrophobicContact CD1-CG2 4.26Å; L408-I432 HydrophobicContact CD2-CD1 4.33Å
409	G	88.3	Confident	90	Very high	48 Å²	48	83.6 Å²	83.6	50%	0.495	46%	0.461	S	S	.	.	H	α-helix	trans	-61.1	-35.6	175.4	0	0	0	0	0	113.1	D405 V406 S407 V411 F412 K413	D405-G409 PolarHBondContact O-N 3.16Å; V406-G409 PolarHBondContact O-N 3.49Å; S407-G409 PolarHBondContact O-N 2.75Å; G409-V411 PolarHBondContact O-N 3.27Å; G409-F412 PolarHBondContact O-N 3.41Å; G409-K413 PolarHBondContact O-N 2.72Å
410	S	90.5	Very high	89.8	Confident	67 Å²	67	86.2 Å²	86.2	47%	0.469	48%	0.475	S	S	.	.	H	α-helix	trans	-69.6	-30.3	178.4	76.1	0	0	0	0	113.7	V406 S407 L408 F412 K413	V406-S410 WeakPolarHBondContact O-CB 3.24Å; V406-S410 PolarHBondContact O-N 3.43Å; S407-S410 PolarHBondContact O-N 2.93Å; S407-S410 VanDerWaalsContact O-N 3.13Å; S407-S410 PolarHBondContact O-OG 2.91Å; L408-S410 VanDerWaalsContact C-N 3.28Å; L408-S410 PolarHBondContact O-N 3.49Å; S410-F412 VanDerWaalsContact C-N 3.34Å; S410-K413 WeakPolarHBondContact O-CB 3.3Å; S410-K413 PolarHBondContact O-N 3.05Å
411	V	89.5	Confident	89.5	Confident	50 Å²	50	87.2 Å²	87.2	30%	0.303	49%	0.485	S	S	.	.	H	α-helix	trans	-68.8	-35.5	177.9	169.1	0	0	0	0	111.5	S407 L408 G409 K413 P423 I425 I428	S407-V411 WeakPolarHBondContact O-CG2 3.3Å; S407-V411 PolarHBondContact O-N 3.2Å; S407-V411 VanDerWaalsContact O-N 3.09Å; L408-V411 PolarHBondContact O-N 3.37Å; G409-V411 PolarHBondContact O-N 3.27Å; V411-K413 VanDerWaalsContact C-N 3.29Å; V411-P423 HydrophobicContact CG1-CB 3.3Å; V411-P423 HydrophobicContact CG1-CG 3.55Å; V411-I425 HydrophobicContact CG1-CG2 3.93Å; V411-I428 HydrophobicContact CG2-CD1 3.91Å
412	F	88.4	Confident	89.3	Confident	93 Å²	93	91.8 Å²	91.8	41%	0.408	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	1.9	174.8	-71.2	-77	0	0	0	113.3	L408 G409 S410 N414 M415 P423 I425	L408-F412 HydrophobicContact CD1-CD2 4.42Å; L408-F412 HydrophobicContact CD1-CE2 3.97Å; L408-F412 WeakPolarHBondContact O-CD2 3.48Å; G409-F412 PolarHBondContact O-N 3.41Å; S410-F412 VanDerWaalsContact C-N 3.34Å; F412-N414 PolarHBondContact O-N 2.9Å; F412-M415 HydrophobicContact CD1-SD 3.75Å; F412-M415 HydrophobicContact CE1-SD 4.36Å; F412-M415 PolarHBondContact O-N 2.94Å; F412-P423 HydrophobicContact CD1-CG 4.05Å; F412-P423 HydrophobicContact CE1-CG 3.62Å; F412-P423 HydrophobicContact CZ-CG 3.87Å; F412-I425 HydrophobicContact CE2-CD1 4.18Å; F412-I425 HydrophobicContact CE2-CG2 3.94Å; F412-I425 HydrophobicContact CZ-CD1 4.17Å; F412-I425 HydrophobicContact CZ-CG2 4.21Å
413	K	85.8	Confident	89.3	Confident	145 Å²	145	88.6 Å²	88.6	63%	0.63	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	131.2	-178.4	-172.2	177.1	177.9	179.4	0	109.9	G409 S410 V411 M415	G409-K413 PolarHBondContact O-N 2.72Å; S410-K413 WeakPolarHBondContact O-CB 3.3Å; S410-K413 PolarHBondContact O-N 3.05Å; V411-K413 VanDerWaalsContact C-N 3.29Å; K413-M415 PolarHBondContact O-N 3.3Å
414	N	84.6	Confident	89.1	Confident	155 Å²	155	86.1 Å²	86.1	83%	0.829	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	10	-176.9	-43.1	-39.1	0	0	0	115.2	F412	F412-N414 PolarHBondContact O-N 2.9Å
415	M	87.8	Confident	89	Confident	66 Å²	66	86.4 Å²	86.4	33%	0.325	50%	0.5	S	S	.	.			trans	-83.7	142	166.3	-64.5	-176.2	71.5	0	0	109.6	F412 K413 P423	F412-M415 HydrophobicContact CD1-SD 3.75Å; F412-M415 HydrophobicContact CE1-SD 4.36Å; F412-M415 PolarHBondContact O-N 2.94Å; K413-M415 PolarHBondContact O-N 3.3Å; M415-P423 HydrophobicContact CE-CG 4.4Å; M415-P423 HydrophobicContact SD-CG 3.82Å
416	D	89.8	Confident	89.3	Confident	100 Å²	100	90.7 Å²	90.7	54%	0.535	51%	0.509	S	S	.	.			trans	-129.2	-174.2	175.3	70.2	5.6	0	0	0	110.7	S418 S419	D416-S418 PolarHBondContact O-N 3.2Å; D416-S418 VanDerWaalsContact O-N 3.14Å; D416-S418 WeakPolarHBondContact OD1-CA 3.36Å; D416-S418 WeakPolarHBondContact OD1-CB 3.27Å; D416-S418 PolarHBondContact OD1-N 2.97Å; D416-S418 PolarHBondContact OD1-OG 3.4Å; D416-S418 PolarHBondContact OD2-OG 3.27Å; D416-S419 PolarHBondContact N-OG 3.19Å; D416-S419 VanDerWaalsContact N-OG 3.13Å; D416-S419 VanDerWaalsContact O-CB 3.3Å; D416-S419 WeakPolarHBondContact O-CB 3.42Å; D416-S419 PolarHBondContact O-N 3.26Å; D416-S419 VanDerWaalsContact O-N 3.12Å; D416-S419 PolarHBondContact O-OG 2.79Å; D416-S419 PolarHBondContact OD1-N 2.8Å; D416-S419 PolarHBondContact OD1-OG 3.16Å
417	S	89.2	Confident	89.4	Confident	131 Å²	131	93.3 Å²	93.3	92%	0.916	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.3	179.6	55.3	0	0	0	0	114.5
418	S	90.4	Very high	89.4	Confident	93 Å²	93	92.2 Å²	92.2	65%	0.65	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-12.3	175.2	77.8	0	0	0	0	113	D416 D420	D416-S418 PolarHBondContact O-N 3.2Å; D416-S418 VanDerWaalsContact O-N 3.14Å; D416-S418 WeakPolarHBondContact OD1-CA 3.36Å; D416-S418 WeakPolarHBondContact OD1-CB 3.27Å; D416-S418 PolarHBondContact OD1-N 2.97Å; D416-S418 PolarHBondContact OD1-OG 3.4Å; D416-S418 PolarHBondContact OD2-OG 3.27Å; S418-D420 PolarHBondContact O-N 3.11Å
419	S	88.3	Confident	89.4	Confident	51 Å²	51	97.5 Å²	97.5	36%	0.357	52%	0.52	S	S	.	.			trans	-67.1	116	179.3	-57.9	0	0	0	0	111	D416	D416-S419 PolarHBondContact N-OG 3.19Å; D416-S419 VanDerWaalsContact N-OG 3.13Å; D416-S419 VanDerWaalsContact O-CB 3.3Å; D416-S419 WeakPolarHBondContact O-CB 3.42Å; D416-S419 PolarHBondContact O-N 3.26Å; D416-S419 VanDerWaalsContact O-N 3.12Å; D416-S419 PolarHBondContact O-OG 2.79Å; D416-S419 PolarHBondContact OD1-N 2.8Å; D416-S419 PolarHBondContact OD1-OG 3.16Å
420	D	88.1	Confident	89.7	Confident	126 Å²	126	100.5 Å²	100.5	67%	0.674	52%	0.521	S	S	*	.			trans	-96.2	-17.3	-174.9	67.7	-37.3	0	0	0	113.6	S418 P422	S418-D420 PolarHBondContact O-N 3.11Å; D420-P422 WeakPolarHBondContact O-CD 3.37Å
421	Q	86.6	Confident	90	Very high	138 Å²	138	99.6 Å²	99.6	65%	0.645	51%	0.511	S	S	*	.	S	Bend	trans	-101.9	104.9	-179.8	-59.8	-54.6	-47.8	0	0	111.5
422	P	87.3	Confident	90.1	Very high	112 Å²	112	98.7 Å²	98.7	73%	0.727	50%	0.504	S	S	*	.			trans	-71.6	131.3	178.2	28.1	-33.3	0	0	0	110.9	D420	D420-P422 WeakPolarHBondContact O-CD 3.37Å
423	P	88.6	Confident	90.2	Very high	36 Å²	36	102.2 Å²	102.2	23%	0.234	52%	0.515	C	S	.	.			trans	-69.9	146.1	178.2	28.3	-35.7	0	0	0	111.6	V411 F412 M415 I425	V411-P423 HydrophobicContact CG1-CB 3.3Å; V411-P423 HydrophobicContact CG1-CG 3.55Å; F412-P423 HydrophobicContact CD1-CG 4.05Å; F412-P423 HydrophobicContact CE1-CG 3.62Å; F412-P423 HydrophobicContact CZ-CG 3.87Å; M415-P423 HydrophobicContact CE-CG 4.4Å; M415-P423 HydrophobicContact SD-CG 3.82Å; P423-I425 HydrophobicContact CG-CG2 4.43Å; P423-I425 PolarHBondContact O-N 2.97Å; P423-I425 VanDerWaalsContact O-N 3.12Å
424	D	90.2	Very high	90.5	Very high	103 Å²	103	102 Å²	102	55%	0.551	51%	0.514	S	S	*	.			trans	-77.1	101.1	175.5	-172.3	2.5	0	0	0	111.6	R426	D424-R426 VanDerWaalsContact OD1-CB 3.27Å; D424-R426 WeakPolarHBondContact OD1-CB 3.12Å; D424-R426 VanDerWaalsContact OD1-CG 3.23Å; D424-R426 WeakPolarHBondContact OD1-CG 3.37Å; D424-R426 IonicContact OD1-CZ 3.84Å; D424-R426 PolarHBondContact OD1-N 3.08Å; D424-R426 IonicContact OD1-NE 2.93Å; D424-R426 PolarHBondContact OD1-NE 2.92Å; D424-R426 IonicContact OD1-NH2 3.87Å; D424-R426 IonicContact OD2-CZ 3.4Å; D424-R426 IonicContact OD2-NE 3.22Å; D424-R426 PolarHBondContact OD2-NE 3.09Å; D424-R426 IonicContact OD2-NH2 2.73Å; D424-R426 PolarHBondContact OD2-NH2 2.92Å
425	I	91.6	Very high	90.9	Very high	29 Å²	29	94.7 Å²	94.7	15%	0.149	48%	0.475	C	S	.	.			trans	-101.2	9	178	62.3	170.9	0	0	0	113.4	L408 V411 F412 P423 K427 I428 R429	L408-I425 HydrophobicContact CD1-CB 4.03Å; L408-I425 HydrophobicContact CD1-CD1 4.09Å; L408-I425 HydrophobicContact CD1-CG2 3.81Å; V411-I425 HydrophobicContact CG1-CG2 3.93Å; F412-I425 HydrophobicContact CE2-CD1 4.18Å; F412-I425 HydrophobicContact CE2-CG2 3.94Å; F412-I425 HydrophobicContact CZ-CD1 4.17Å; F412-I425 HydrophobicContact CZ-CG2 4.21Å; P423-I425 HydrophobicContact CG-CG2 4.43Å; P423-I425 PolarHBondContact O-N 2.97Å; P423-I425 VanDerWaalsContact O-N 3.12Å; I425-K427 VanDerWaalsContact C-N 3.32Å; I425-K427 PolarHBondContact O-N 2.82Å; I425-I428 PolarHBondContact O-N 2.82Å; I425-R429 HydrophobicContact CD1-CG 4.14Å; I425-R429 HydrophobicContact CG1-CG 4.23Å; I425-R429 WeakPolarHBondContact O-CG 3.47Å; I425-R429 PolarHBondContact O-N 2.95Å
426	R	94.4	Very high	91	Very high	174 Å²	174	92.9 Å²	92.9	66%	0.657	47%	0.468	S	S	*	.	H	α-helix	trans	-57.4	-44.1	-173.7	-71.9	177.3	-67.8	-179.1	-0.4	112.3	D424 R429 Q430	D424-R426 VanDerWaalsContact OD1-CB 3.27Å; D424-R426 WeakPolarHBondContact OD1-CB 3.12Å; D424-R426 VanDerWaalsContact OD1-CG 3.23Å; D424-R426 WeakPolarHBondContact OD1-CG 3.37Å; D424-R426 IonicContact OD1-CZ 3.84Å; D424-R426 PolarHBondContact OD1-N 3.08Å; D424-R426 IonicContact OD1-NE 2.93Å; D424-R426 PolarHBondContact OD1-NE 2.92Å; D424-R426 IonicContact OD1-NH2 3.87Å; D424-R426 IonicContact OD2-CZ 3.4Å; D424-R426 IonicContact OD2-NE 3.22Å; D424-R426 PolarHBondContact OD2-NE 3.09Å; D424-R426 IonicContact OD2-NH2 2.73Å; D424-R426 PolarHBondContact OD2-NH2 2.92Å; R426-R429 PolarHBondContact O-N 2.82Å; R426-Q430 WeakPolarHBondContact O-CB 3.37Å; R426-Q430 VanDerWaalsContact O-CG 3.28Å; R426-Q430 WeakPolarHBondContact O-CG 3.27Å; R426-Q430 PolarHBondContact O-N 3.21Å
427	K	93.5	Very high	90.9	Very high	154 Å²	154	93.3 Å²	93.3	67%	0.67	47%	0.466	S	S	*	.	H	α-helix	trans	-63.5	-48.4	178.5	-173.9	176.8	-179.5	179.1	0	112	I425 R429 Q430 D431	I425-K427 VanDerWaalsContact C-N 3.32Å; I425-K427 PolarHBondContact O-N 2.82Å; K427-R429 VanDerWaalsContact C-N 3.34Å; K427-R429 PolarHBondContact O-N 2.85Å; K427-Q430 WeakPolarHBondContact O-CB 3.45Å; K427-Q430 PolarHBondContact O-N 2.78Å; K427-Q430 VanDerWaalsContact O-N 3.16Å; K427-D431 PolarHBondContact O-N 3.13Å
428	I	92.7	Very high	90.9	Very high	23 Å²	23	91.1 Å²	91.1	12%	0.118	44%	0.441	C	S	.	.	H	α-helix	trans	-60.9	-44.5	179.4	-62.3	169.5	0	0	0	110.4	L408 V411 I425 Q430 D431 I432	L408-I428 HydrophobicContact CB-CG2 4.08Å; L408-I428 HydrophobicContact CD1-CG2 4.26Å; V411-I428 HydrophobicContact CG2-CD1 3.91Å; I425-I428 PolarHBondContact O-N 2.82Å; I428-Q430 VanDerWaalsContact C-N 3.34Å; I428-Q430 PolarHBondContact O-N 3.37Å; I428-D431 PolarHBondContact O-N 3.44Å; I428-I432 HydrophobicContact CG2-CD1 3.89Å; I428-I432 HydrophobicContact CG2-CG1 4.41Å; I428-I432 WeakPolarHBondContact O-CG1 3.48Å; I428-I432 PolarHBondContact O-N 3.36Å
429	R	92.4	Very high	90.6	Very high	153 Å²	153	87.5 Å²	87.5	58%	0.577	41%	0.414	S	S	*	.	H	α-helix	trans	-63.6	-36.8	176.4	-70.3	-178	71.8	133.5	0.9	113	I425 R426 K427 R433	I425-R429 HydrophobicContact CD1-CG 4.14Å; I425-R429 HydrophobicContact CG1-CG 4.23Å; I425-R429 WeakPolarHBondContact O-CG 3.47Å; I425-R429 PolarHBondContact O-N 2.95Å; R426-R429 PolarHBondContact O-N 2.82Å; K427-R429 VanDerWaalsContact C-N 3.34Å; K427-R429 PolarHBondContact O-N 2.85Å; R429-R433 WeakPolarHBondContact O-CG 3.46Å; R429-R433 PolarHBondContact O-N 2.88Å; R429-R433 VanDerWaalsContact O-N 3.16Å
430	Q	94.7	Very high	90.5	Very high	111 Å²	111	85.8 Å²	85.8	52%	0.519	40%	0.401	S	S	.	.	H	α-helix	trans	-66.5	-44.7	174.3	-75.9	171.7	-3.5	0	0	111.2	R426 K427 I428 R433 K434	R426-Q430 WeakPolarHBondContact O-CB 3.37Å; R426-Q430 VanDerWaalsContact O-CG 3.28Å; R426-Q430 WeakPolarHBondContact O-CG 3.27Å; R426-Q430 PolarHBondContact O-N 3.21Å; K427-Q430 WeakPolarHBondContact O-CB 3.45Å; K427-Q430 PolarHBondContact O-N 2.78Å; K427-Q430 VanDerWaalsContact O-N 3.16Å; I428-Q430 VanDerWaalsContact C-N 3.34Å; I428-Q430 PolarHBondContact O-N 3.37Å; Q430-R433 PolarHBondContact O-N 3.15Å; Q430-K434 WeakPolarHBondContact O-CB 3.21Å; Q430-K434 PolarHBondContact O-N 3.47Å
431	D	95.1	Very high	90.4	Very high	48 Å²	48	84.1 Å²	84.1	26%	0.257	39%	0.39	S	S	.	.	H	α-helix	trans	-63.3	-42.6	177.6	-74.1	-25.5	0	0	0	111.9	L404 K427 I428 R433 K434 V435	L404-D431 HydrophobicContact CD1-CB 3.91Å; L404-D431 HydrophobicContact CD2-CB 3.89Å; K427-D431 PolarHBondContact O-N 3.13Å; I428-D431 PolarHBondContact O-N 3.44Å; D431-R433 PolarHBondContact O-N 3.47Å; D431-K434 PolarHBondContact O-N 2.82Å; D431-V435 WeakPolarHBondContact O-CB 3.33Å; D431-V435 VanDerWaalsContact O-CG2 3.3Å; D431-V435 WeakPolarHBondContact O-CG2 3.29Å; D431-V435 PolarHBondContact O-N 3.14Å
432	I	92.3	Very high	90.3	Very high	32 Å²	32	79 Å²	79	16%	0.164	37%	0.369	C	S	.	.	H	α-helix	trans	-59.1	-46.4	175	-72.5	171	0	0	0	110.7	L401 L404 L408 I428 K434 T436	L401-I432 HydrophobicContact CD1-CB 4.47Å; L401-I432 HydrophobicContact CD1-CG1 4.43Å; L401-I432 HydrophobicContact CD1-CG2 3.96Å; L404-I432 HydrophobicContact CB-CD1 4.22Å; L404-I432 HydrophobicContact CB-CG1 3.64Å; L404-I432 HydrophobicContact CD1-CG1 4.02Å; L404-I432 HydrophobicContact CG-CG1 4.38Å; L408-I432 HydrophobicContact CD2-CD1 4.33Å; I428-I432 HydrophobicContact CG2-CD1 3.89Å; I428-I432 HydrophobicContact CG2-CG1 4.41Å; I428-I432 WeakPolarHBondContact O-CG1 3.48Å; I428-I432 PolarHBondContact O-N 3.36Å; I432-K434 PolarHBondContact O-N 2.83Å; I432-T436 WeakPolarHBondContact O-CB 3.44Å; I432-T436 PolarHBondContact O-N 3.33Å; I432-T436 PolarHBondContact O-OG1 3.47Å
433	R	91	Very high	90.1	Very high	166 Å²	166	74.4 Å²	74.4	63%	0.626	34%	0.338	S	S	*	.	H	α-helix	trans	-62	-43.6	177.7	-76.9	-172.5	-67	167.6	-1.1	111.6	R429 Q430 D431 H437	R429-R433 WeakPolarHBondContact O-CG 3.46Å; R429-R433 PolarHBondContact O-N 2.88Å; R429-R433 VanDerWaalsContact O-N 3.16Å; Q430-R433 PolarHBondContact O-N 3.15Å; D431-R433 PolarHBondContact O-N 3.47Å; R433-H437 WeakPolarHBondContact O-CB 3.43Å; R433-H437 PolarHBondContact O-N 2.87Å
434	K	92.8	Very high	89.7	Confident	142 Å²	142	73.6 Å²	73.6	62%	0.617	34%	0.336	S	S	*	.	H	α-helix	trans	-64	-48.3	179.7	-175.2	176.3	178.6	176.4	0	111.8	Q430 D431 I432 H437 E438	Q430-K434 WeakPolarHBondContact O-CB 3.21Å; Q430-K434 PolarHBondContact O-N 3.47Å; D431-K434 PolarHBondContact O-N 2.82Å; I432-K434 PolarHBondContact O-N 2.83Å; K434-H437 PolarHBondContact O-N 3.15Å; K434-E438 WeakPolarHBondContact O-CB 3.22Å; K434-E438 PolarHBondContact O-N 3.18Å
435	V	92.1	Very high	89.2	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-67.2	-40.4	179.9	175.3	0	0	0	0	111.1	R400 L401 L404 D431 E438 M439	R400-V435 HydrophobicContact CB-CG1 4.42Å; R400-V435 HydrophobicContact CG-CG1 4.47Å; R400-V435 HydrophobicContact CG-CG2 4.06Å; L401-V435 HydrophobicContact CB-CG1 4.17Å; L404-V435 HydrophobicContact CD1-CB 4.5Å; L404-V435 HydrophobicContact CD1-CG2 4.05Å; D431-V435 WeakPolarHBondContact O-CB 3.33Å; D431-V435 VanDerWaalsContact O-CG2 3.3Å; D431-V435 WeakPolarHBondContact O-CG2 3.29Å; D431-V435 PolarHBondContact O-N 3.14Å; V435-E438 PolarHBondContact O-N 3.4Å; V435-M439 WeakPolarHBondContact O-CB 3.42Å; V435-M439 PolarHBondContact O-N 3.3Å
436	T	90	Very high	88.9	Confident	28 Å²	28	69.7 Å²	69.7	17%	0.172	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-48.1	174	-64.2	0	0	0	0	111.2	I432 M439 D440 G453	I432-T436 WeakPolarHBondContact O-CB 3.44Å; I432-T436 PolarHBondContact O-N 3.33Å; I432-T436 PolarHBondContact O-OG1 3.47Å; T436-M439 PolarHBondContact O-N 3.46Å; T436-D440 PolarHBondContact O-N 2.83Å; T436-G453 VanDerWaalsContact CG2-CA 3.41Å
437	H	87.9	Confident	88.6	Confident	108 Å²	108	61.4 Å²	61.4	50%	0.5	28%	0.283	S	S	.	.	H	α-helix	trans	-63	-44.9	178.3	-180	63.4	0	0	0	111.9	R433 K434 M439 D440 M441	R433-H437 WeakPolarHBondContact O-CB 3.43Å; R433-H437 PolarHBondContact O-N 2.87Å; K434-H437 PolarHBondContact O-N 3.15Å; H437-M439 VanDerWaalsContact C-N 3.28Å; H437-M439 PolarHBondContact O-N 2.84Å; H437-D440 PolarHBondContact O-N 3.09Å; H437-M441 VanDerWaalsContact O-CG 3.24Å; H437-M441 WeakPolarHBondContact O-CG 3.32Å; H437-M441 PolarHBondContact O-N 3.47Å
438	E	88.4	Confident	88.5	Confident	86 Å²	86	54.4 Å²	54.4	40%	0.402	25%	0.253	S	S	.	.	H	α-helix	trans	-58.3	-40.9	175.7	-173.6	179.5	175.1	0	0	111.9	L397 K434 V435 C442	L397-E438 HydrophobicContact CD1-CG 3.99Å; L397-E438 HydrophobicContact CD2-CG 4.21Å; K434-E438 WeakPolarHBondContact O-CB 3.22Å; K434-E438 PolarHBondContact O-N 3.18Å; V435-E438 PolarHBondContact O-N 3.4Å; E438-C442 PolarHBondContact O-N 2.9Å; E438-C442 PolarHBondContact O-SG 3.05Å
439	M	85.3	Confident	88.5	Confident	17 Å²	17	53.5 Å²	53.5	8%	0.084	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-48.8	176.2	-176.2	-176.4	73.3	0	0	111.8	L397 V435 T436 H437 M441 C442 Y443	L397-M439 HydrophobicContact CD1-CB 4.35Å; V435-M439 WeakPolarHBondContact O-CB 3.42Å; V435-M439 PolarHBondContact O-N 3.3Å; T436-M439 PolarHBondContact O-N 3.46Å; H437-M439 VanDerWaalsContact C-N 3.28Å; H437-M439 PolarHBondContact O-N 2.84Å; M439-M441 VanDerWaalsContact C-N 3.3Å; M439-M441 PolarHBondContact O-N 3.23Å; M439-C442 VanDerWaalsContact O-CB 3.28Å; M439-C442 WeakPolarHBondContact O-CB 3.32Å; M439-C442 PolarHBondContact O-N 2.99Å; M439-Y443 HydrophobicContact CG-CE2 4.07Å; M439-Y443 VanDerWaalsContact O-CD2 3.25Å; M439-Y443 WeakPolarHBondContact O-CD2 3.41Å
440	D	86.5	Confident	88.5	Confident	14 Å²	14	47.7 Å²	47.7	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-43.3	179.3	-77.7	-6.6	0	0	0	110.4	T436 H437 C442 Y443 G447 S452 G453	T436-D440 PolarHBondContact O-N 2.83Å; H437-D440 PolarHBondContact O-N 3.09Å; D440-C442 PolarHBondContact O-N 3.21Å; D440-C442 VanDerWaalsContact O-N 3.1Å; D440-Y443 PolarHBondContact O-N 3.36Å; D440-G447 VanDerWaalsContact O-CA 3.23Å; D440-G447 WeakPolarHBondContact O-CA 3.32Å; D440-S452 PolarHBondContact OD2-OG 3.07Å; D440-G453 PolarHBondContact OD1-N 3.46Å; D440-G453 PolarHBondContact OD2-N 2.9Å
441	M	85.7	Confident	88.4	Confident	91 Å²	91	47 Å²	47	45%	0.448	22%	0.221	S	C	.	.	H	α-helix	trans	-64.6	-14.7	177.3	-64.7	-60.5	91.6	0	0	114.4	H437 M439	H437-M441 VanDerWaalsContact O-CG 3.24Å; H437-M441 WeakPolarHBondContact O-CG 3.32Å; H437-M441 PolarHBondContact O-N 3.47Å; M439-M441 VanDerWaalsContact C-N 3.3Å; M439-M441 PolarHBondContact O-N 3.23Å
442	C	83.8	Confident	88.1	Confident	30 Å²	30	45.8 Å²	45.8	20%	0.203	22%	0.215	C	C	.	.	H	α-helix	trans	-74.4	-25.5	172.6	-65.3	0	0	0	0	112.9	I390 R394 E438 M439 D440	I390-C442 WeakPolarHBondContact CD1-O 3.37Å; I390-C442 HydrophobicContact CG2-CB 3.71Å; R394-C442 HydrophobicContact CG-CB 4.13Å; E438-C442 PolarHBondContact O-N 2.9Å; E438-C442 PolarHBondContact O-SG 3.05Å; M439-C442 VanDerWaalsContact O-CB 3.28Å; M439-C442 WeakPolarHBondContact O-CB 3.32Å; M439-C442 PolarHBondContact O-N 2.99Å; D440-C442 PolarHBondContact O-N 3.21Å; D440-C442 VanDerWaalsContact O-N 3.1Å
443	Y	83.1	Confident	87.9	Confident	17 Å²	17	44.6 Å²	44.6	7%	0.067	21%	0.211	C	C	.	.	H	α-helix	trans	-87.2	-34.4	-178.1	-68.7	-85.7	0	0	0	112.6	H386 E387 I390 M439 D440	H386-Y443 PolarHBondContact NE2-O 3.19Å; E387-Y443 HydrophobicContact CB-CE1 4.46Å; E387-Y443 VanDerWaalsContact CD-CD1 3.49Å; E387-Y443 VanDerWaalsContact OE2-CD1 3.25Å; E387-Y443 WeakPolarHBondContact OE2-CD1 3.34Å; E387-Y443 WeakPolarHBondContact OE2-CE1 3.36Å; I390-Y443 HydrophobicContact CB-CD1 3.92Å; I390-Y443 HydrophobicContact CB-CE1 3.66Å; I390-Y443 HydrophobicContact CG1-CD1 4.32Å; I390-Y443 HydrophobicContact CG2-CD1 3.81Å; I390-Y443 HydrophobicContact CG2-CD2 4.04Å; I390-Y443 HydrophobicContact CG2-CE1 3.55Å; I390-Y443 HydrophobicContact CG2-CE2 3.79Å; I390-Y443 HydrophobicContact CG2-CG 4.04Å; M439-Y443 HydrophobicContact CG-CE2 4.07Å; M439-Y443 VanDerWaalsContact O-CD2 3.25Å; M439-Y443 WeakPolarHBondContact O-CD2 3.41Å; D440-Y443 PolarHBondContact O-N 3.36Å
444	G	79.8	Confident	87.5	Confident	18 Å²	18	41.5 Å²	41.5	19%	0.186	22%	0.215	C	C	.	.			trans	156.2	-175.2	-178.3	0	0	0	0	0	111.6	F446 G447	G444-F446 VanDerWaalsContact C-N 3.31Å; G444-F446 PolarHBondContact O-N 3.12Å; G444-G447 PolarHBondContact O-N 3.5Å
445	I	80.4	Confident	87.4	Confident	40 Å²	40	41 Å²	41	21%	0.205	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-34.2	-173.3	-154.2	-169.9	0	0	0	113.2	F95 F144	F95-I445 HydrophobicContact CE2-CB 4.05Å; F95-I445 HydrophobicContact CE2-CD1 3.61Å; F95-I445 HydrophobicContact CE2-CG1 3.67Å; F95-I445 HydrophobicContact CZ-CD1 4.25Å; F95-I445 HydrophobicContact CZ-CG1 4.06Å; F144-I445 HydrophobicContact CE2-CD1 3.4Å; F144-I445 VanDerWaalsContact CE2-CD1 3.4Å; F144-I445 HydrophobicContact CE2-CG1 3.6Å; F144-I445 HydrophobicContact CZ-CB 4.36Å; F144-I445 HydrophobicContact CZ-CD1 3.67Å; F144-I445 HydrophobicContact CZ-CG1 3.52Å; F144-I445 HydrophobicContact CZ-CG2 4.37Å
446	F	86	Confident	87.5	Confident	11 Å²	11	44.2 Å²	44.2	5%	0.048	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-0.2	173.4	-81.6	-81.1	0	0	0	112.8	L117 L126 K128 V137 A139 F144 G444	L117-F446 HydrophobicContact CD1-CD1 4.34Å; L117-F446 HydrophobicContact CD1-CD2 3.71Å; L117-F446 HydrophobicContact CD1-CE1 4.32Å; L117-F446 HydrophobicContact CD1-CE2 3.71Å; L117-F446 HydrophobicContact CD1-CG 4.05Å; L117-F446 HydrophobicContact CD1-CZ 4.02Å; L117-F446 HydrophobicContact CD2-CD1 3.85Å; L117-F446 HydrophobicContact CD2-CE1 4.17Å; L117-F446 HydrophobicContact CD2-CG 4.07Å; L126-F446 HydrophobicContact CB-CZ 3.88Å; L126-F446 HydrophobicContact CD1-CZ 4.4Å; K128-F446 HydrophobicContact CB-CD1 4.23Å; K128-F446 HydrophobicContact CD-CB 4.26Å; K128-F446 VanDerWaalsContact CD-O 3.28Å; K128-F446 WeakPolarHBondContact CD-O 3.41Å; K128-F446 PolarHBondContact NZ-O 2.91Å; V137-F446 HydrophobicContact CB-CD1 4.27Å; V137-F446 HydrophobicContact CG1-CD1 3.95Å; V137-F446 HydrophobicContact CG1-CE1 4.15Å; A139-F446 HydrophobicContact CB-CE1 4.23Å; A139-F446 HydrophobicContact CB-CZ 3.77Å; F144-F446 HydrophobicContact CE1-CD1 4.2Å; F144-F446 HydrophobicContact CE1-CE1 4.05Å; F144-F446 HydrophobicContact CE1-CZ 4.33Å; F144-F446 HydrophobicContact CZ-CE1 4.49Å; F144-F446 HydrophobicContact CZ-CE2 4.41Å; F144-F446 HydrophobicContact CZ-CZ 4.36Å; G444-F446 VanDerWaalsContact C-N 3.31Å; G444-F446 PolarHBondContact O-N 3.12Å
447	G	88.3	Confident	87.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.			trans	71.5	-166.7	-171.5	0	0	0	0	0	114.3	C114 K128 D440 G444	C114-G447 PolarHBondContact SG-O 2.99Å; K128-G447 PolarHBondContact NZ-O 2.94Å; D440-G447 VanDerWaalsContact O-CA 3.23Å; D440-G447 WeakPolarHBondContact O-CA 3.32Å; G444-G447 PolarHBondContact O-N 3.5Å
448	S	90.6	Very high	88.2	Confident	7 Å²	7	39.1 Å²	39.1	5%	0.049	20%	0.199	C	C	.	.			trans	-55.1	136	-171.9	166.9	0	0	0	0	113.6	K128 E387 F450 R451	K128-S448 WeakPolarHBondContact CE-O 3.21Å; K128-S448 PolarHBondContact NZ-O 2.87Å; E387-S448 VanDerWaalsContact CD-OG 3.31Å; E387-S448 VanDerWaalsContact OE1-CA 3.24Å; E387-S448 WeakPolarHBondContact OE1-CA 3.25Å; E387-S448 PolarHBondContact OE1-OG 2.76Å; E387-S448 WeakPolarHBondContact OE2-CB 3.47Å; E387-S448 PolarHBondContact OE2-OG 3.44Å; S448-F450 PolarHBondContact O-N 2.83Å; S448-F450 VanDerWaalsContact O-N 3.1Å; S448-F450 PolarHBondContact OG-N 3.43Å; S448-F450 VanDerWaalsContact OG-N 3.12Å; S448-R451 WeakPolarHBondContact CB-O 3.27Å; S448-R451 PolarHBondContact O-N 3.24Å; S448-R451 PolarHBondContact OG-N 2.89Å
449	L	91.7	Very high	88.4	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.021	18%	0.18	C	C	.	.	S	Bend	trans	-50.5	-36.5	171.7	177.7	61.6	0	0	0	111.9	C114 R115 V381 E383 E387 T457 F459	C114-L449 HydrophobicContact CB-CD1 3.88Å; R115-L449 HydrophobicContact CB-CD1 4.21Å; R115-L449 WeakPolarHBondContact O-CD1 3.37Å; V381-L449 HydrophobicContact CG1-CD2 3.9Å; E383-L449 HydrophobicContact CB-CD2 3.81Å; E383-L449 HydrophobicContact CG-CD2 4.32Å; E387-L449 HydrophobicContact CG-CB 4.46Å; E387-L449 WeakPolarHBondContact OE1-CB 3.47Å; E387-L449 PolarHBondContact OE1-N 2.94Å; L449-T457 WeakPolarHBondContact O-CG2 3.19Å; L449-T457 PolarHBondContact O-OG1 2.8Å; L449-F459 HydrophobicContact CD1-CB 4.44Å; L449-F459 HydrophobicContact CD1-CD1 3.67Å; L449-F459 HydrophobicContact CD1-CD2 4.43Å; L449-F459 HydrophobicContact CD1-CE1 3.96Å; L449-F459 HydrophobicContact CD1-CG 3.92Å; L449-F459 HydrophobicContact CD1-CZ 4.45Å; L449-F459 HydrophobicContact CD2-CD1 4.01Å; L449-F459 HydrophobicContact CD2-CE1 3.56Å; L449-F459 HydrophobicContact CD2-CZ 4.16Å; L449-F459 HydrophobicContact CG-CD1 3.59Å; L449-F459 HydrophobicContact CG-CE1 3.71Å; L449-F459 HydrophobicContact CG-CG 4.35Å
450	F	93.6	Very high	88.9	Confident	30 Å²	30	34.7 Å²	34.7	13%	0.132	18%	0.179	C	C	.	.	S	Bend	trans	-96.1	-23.1	-173.7	-63.1	-77.9	0	0	0	114.5	V381 L384 E387 S448 Q456 T457 F459 A460 V463	V381-F450 HydrophobicContact CG1-CZ 4.02Å; L384-F450 HydrophobicContact CD1-CE2 3.72Å; L384-F450 HydrophobicContact CD1-CZ 4.06Å; E387-F450 HydrophobicContact CG-CD2 3.95Å; E387-F450 HydrophobicContact CG-CE2 4Å; S448-F450 PolarHBondContact O-N 2.83Å; S448-F450 VanDerWaalsContact O-N 3.1Å; S448-F450 PolarHBondContact OG-N 3.43Å; S448-F450 VanDerWaalsContact OG-N 3.12Å; F450-Q456 WeakPolarHBondContact O-CA 3.43Å; F450-T457 PolarHBondContact O-N 2.88Å; F450-T457 PolarHBondContact O-OG1 3.02Å; F450-F459 HydrophobicContact CD1-CD1 4.35Å; F450-F459 HydrophobicContact CE1-CD1 4.14Å; F450-F459 AromaticContact CE1-CE1 3.92Å; F450-F459 HydrophobicContact CE1-CE1 3.92Å; F450-F459 HydrophobicContact CZ-CE1 4.28Å; F450-A460 HydrophobicContact CB-CB 4.1Å; F450-A460 HydrophobicContact CD1-CB 3.92Å; F450-A460 WeakPolarHBondContact O-CB 3.49Å; F450-V463 HydrophobicContact CE1-CB 4.5Å; F450-V463 HydrophobicContact CE1-CG2 4.15Å
451	R	92	Very high	89.3	Confident	98 Å²	98	35.2 Å²	35.2	37%	0.37	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	159.4	-174.9	-56.6	-167.9	86.2	94.4	-1.8	114	K128 S448 S454 R455	K128-R451 PolarHBondContact NZ-O 3.16Å; K128-R451 VanDerWaalsContact NZ-O 3.1Å; S448-R451 WeakPolarHBondContact CB-O 3.27Å; S448-R451 PolarHBondContact O-N 3.24Å; S448-R451 PolarHBondContact OG-N 2.89Å; R451-S454 PolarHBondContact NH2-O 3.04Å; R451-R455 VanDerWaalsContact CA-O 3.24Å; R451-R455 WeakPolarHBondContact CA-O 3.48Å; R451-R455 WeakPolarHBondContact CB-O 3.3Å
452	S	89.5	Confident	89.6	Confident	21 Å²	21	31.8 Å²	31.8	15%	0.147	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	109.7	155.9	-179	0	0	0	0	107.5	D440 S454 R455	D440-S452 PolarHBondContact OD2-OG 3.07Å; S452-S454 PolarHBondContact O-N 3.02Å; S452-R455 PolarHBondContact N-O 2.91Å; S452-R455 PolarHBondContact O-N 3.46Å; S452-R455 VanDerWaalsContact O-N 3.11Å
453	G	86.8	Confident	90.1	Very high	8 Å²	8	30.5 Å²	30.5	8%	0.082	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-124.1	-165	0	0	0	0	0	113.2	T436 D440	T436-G453 VanDerWaalsContact CG2-CA 3.41Å; D440-G453 PolarHBondContact OD1-N 3.46Å; D440-G453 PolarHBondContact OD2-N 2.9Å
454	S	84.4	Confident	90.5	Very high	101 Å²	101	33 Å²	33	71%	0.706	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-8.8	-178.5	62.4	0	0	0	0	114.2	R451 S452	R451-S454 PolarHBondContact NH2-O 3.04Å; S452-S454 PolarHBondContact O-N 3.02Å
455	R	90.3	Very high	91	Very high	130 Å²	130	39.7 Å²	39.7	49%	0.491	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	141.4	-178	-65	-173.2	178.5	-164.5	3	111.5	D130 L136 R451 S452	D130-R455 IonicContact OD2-NH1 2.91Å; L136-R455 HydrophobicContact CD2-CB 4.02Å; L136-R455 HydrophobicContact CD2-CG 4.4Å; R451-R455 VanDerWaalsContact CA-O 3.24Å; R451-R455 WeakPolarHBondContact CA-O 3.48Å; R451-R455 WeakPolarHBondContact CB-O 3.3Å; S452-R455 PolarHBondContact N-O 2.91Å; S452-R455 PolarHBondContact O-N 3.46Å; S452-R455 VanDerWaalsContact O-N 3.11Å
456	Q	94.2	Very high	91.5	Very high	70 Å²	70	39 Å²	39	33%	0.327	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	149.4	168.1	-75.2	176.4	-28.3	0	0	110.1	P131 F450 A460 E464	P131-Q456 WeakPolarHBondContact CD-O 3.48Å; F450-Q456 WeakPolarHBondContact O-CA 3.43Å; Q456-A460 HydrophobicContact CB-CB 4.17Å; Q456-A460 HydrophobicContact CG-CB 4.43Å; Q456-E464 PolarHBondContact NE2-OE2 2.78Å
457	T	96	Very high	91.9	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.025	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-80.9	163.2	171.1	60.5	0	0	0	0	110.8	K128 V129 L136 L449 F450 F459 A460 S461	K128-T457 HydrophobicContact CD-CG2 4.37Å; K128-T457 HydrophobicContact CG-CG2 4.31Å; V129-T457 CarbonylContact O-C 3.54Å; L136-T457 HydrophobicContact CD1-CG2 4.45Å; L449-T457 WeakPolarHBondContact O-CG2 3.19Å; L449-T457 PolarHBondContact O-OG1 2.8Å; F450-T457 PolarHBondContact O-N 2.88Å; F450-T457 PolarHBondContact O-OG1 3.02Å; T457-F459 VanDerWaalsContact C-N 3.27Å; T457-F459 PolarHBondContact O-N 3.33Å; T457-A460 WeakPolarHBondContact O-CB 3.5Å; T457-A460 PolarHBondContact O-N 3.11Å; T457-A460 PolarHBondContact OG1-N 3.19Å; T457-A460 VanDerWaalsContact OG1-N 3.07Å; T457-S461 PolarHBondContact O-N 3.29Å; T457-S461 VanDerWaalsContact O-N 3.14Å
458	F	95.4	Very high	92.2	Very high	25 Å²	25	38.6 Å²	38.6	11%	0.11	18%	0.183	C	C	.	.	H	α-helix	trans	-53.3	-46.9	168.5	-179.7	-103.9	0	0	0	111.3	W118 V129 L161 V168 A460 S461 Q462	W118-F458 HydrophobicContact CZ2-CD1 4.08Å; W118-F458 AromaticContact CZ2-CD2 3.79Å; W118-F458 HydrophobicContact CZ2-CD2 3.79Å; W118-F458 HydrophobicContact CZ2-CE1 4.12Å; W118-F458 AromaticContact CZ2-CE2 3.86Å; W118-F458 HydrophobicContact CZ2-CE2 3.86Å; W118-F458 AromaticContact CZ2-CG 3.91Å; W118-F458 HydrophobicContact CZ2-CG 3.91Å; W118-F458 HydrophobicContact CZ2-CZ 4.01Å; W118-F458 AromaticContact NE1-CD1 3.41Å; W118-F458 AromaticContact NE1-CE1 3.78Å; W118-F458 AromaticContact NE1-CG 3.85Å; V129-F458 HydrophobicContact CG2-CB 3.89Å; V129-F458 HydrophobicContact CG2-CG 4.48Å; V129-F458 PolarHBondContact O-N 2.99Å; L161-F458 HydrophobicContact CD2-CZ 3.99Å; V168-F458 HydrophobicContact CG1-CD1 4.48Å; V168-F458 HydrophobicContact CG1-CE1 4.21Å; F458-A460 PolarHBondContact O-N 3.07Å; F458-S461 PolarHBondContact O-N 2.95Å; F458-S461 PolarHBondContact O-OG 2.95Å; F458-Q462 HydrophobicContact CD1-CG 4.24Å; F458-Q462 HydrophobicContact CE1-CG 3.94Å; F458-Q462 VanDerWaalsContact CE1-NE2 3.25Å; F458-Q462 HydrophobicContact CZ-CG 4.08Å; F458-Q462 WeakPolarHBondContact O-CG 3.35Å; F458-Q462 PolarHBondContact O-N 2.73Å
459	F	94.1	Very high	92.5	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	18%	0.181	C	C	.	.	H	α-helix	trans	-54.4	-48.8	175.6	-175	-93.5	0	0	0	112.3	R115 V381 L449 F450 T457 S461 Q462 V463	R115-F459 HydrophobicContact CB-CD2 4.12Å; R115-F459 HydrophobicContact CB-CE2 3.9Å; V381-F459 HydrophobicContact CG1-CE1 4.29Å; V381-F459 HydrophobicContact CG1-CZ 4.35Å; L449-F459 HydrophobicContact CD1-CB 4.44Å; L449-F459 HydrophobicContact CD1-CD1 3.67Å; L449-F459 HydrophobicContact CD1-CD2 4.43Å; L449-F459 HydrophobicContact CD1-CE1 3.96Å; L449-F459 HydrophobicContact CD1-CG 3.92Å; L449-F459 HydrophobicContact CD1-CZ 4.45Å; L449-F459 HydrophobicContact CD2-CD1 4.01Å; L449-F459 HydrophobicContact CD2-CE1 3.56Å; L449-F459 HydrophobicContact CD2-CZ 4.16Å; L449-F459 HydrophobicContact CG-CD1 3.59Å; L449-F459 HydrophobicContact CG-CE1 3.71Å; L449-F459 HydrophobicContact CG-CG 4.35Å; F450-F459 HydrophobicContact CD1-CD1 4.35Å; F450-F459 HydrophobicContact CE1-CD1 4.14Å; F450-F459 AromaticContact CE1-CE1 3.92Å; F450-F459 HydrophobicContact CE1-CE1 3.92Å; F450-F459 HydrophobicContact CZ-CE1 4.28Å; T457-F459 VanDerWaalsContact C-N 3.27Å; T457-F459 PolarHBondContact O-N 3.33Å; F459-S461 VanDerWaalsContact C-N 3.33Å; F459-S461 PolarHBondContact O-N 3.34Å; F459-Q462 WeakPolarHBondContact O-CB 3.35Å; F459-Q462 PolarHBondContact O-N 3.02Å; F459-V463 HydrophobicContact CD1-CG2 3.94Å; F459-V463 HydrophobicContact CE1-CG2 3.55Å; F459-V463 HydrophobicContact CZ-CG2 3.97Å; F459-V463 WeakPolarHBondContact O-CG2 3.46Å; F459-V463 PolarHBondContact O-N 3.04Å
460	A	95.1	Very high	92.7	Very high	8 Å²	8	40 Å²	40	7%	0.066	19%	0.188	C	C	.	.	H	α-helix	trans	-56.5	-45.9	178.3	0	0	0	0	0	112.7	F450 Q456 T457 F458 Q462 V463 E464	F450-A460 HydrophobicContact CB-CB 4.1Å; F450-A460 HydrophobicContact CD1-CB 3.92Å; F450-A460 WeakPolarHBondContact O-CB 3.49Å; Q456-A460 HydrophobicContact CB-CB 4.17Å; Q456-A460 HydrophobicContact CG-CB 4.43Å; T457-A460 WeakPolarHBondContact O-CB 3.5Å; T457-A460 PolarHBondContact O-N 3.11Å; T457-A460 PolarHBondContact OG1-N 3.19Å; T457-A460 VanDerWaalsContact OG1-N 3.07Å; F458-A460 PolarHBondContact O-N 3.07Å; A460-Q462 VanDerWaalsContact C-N 3.29Å; A460-Q462 PolarHBondContact O-N 3.43Å; A460-V463 WeakPolarHBondContact O-CB 3.41Å; A460-V463 PolarHBondContact O-N 2.88Å; A460-V463 VanDerWaalsContact O-N 3.15Å; A460-E464 PolarHBondContact O-N 2.94Å
461	S	94.1	Very high	92.9	Very high	24 Å²	24	38.6 Å²	38.6	17%	0.168	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-32.2	177.6	68	0	0	0	0	113.2	P131 T457 F458 F459 R465	P131-S461 WeakPolarHBondContact CB-OG 3.46Å; P131-S461 WeakPolarHBondContact CG-OG 3.01Å; T457-S461 PolarHBondContact O-N 3.29Å; T457-S461 VanDerWaalsContact O-N 3.14Å; F458-S461 PolarHBondContact O-N 2.95Å; F458-S461 PolarHBondContact O-OG 2.95Å; F459-S461 VanDerWaalsContact C-N 3.33Å; F459-S461 PolarHBondContact O-N 3.34Å; S461-R465 WeakPolarHBondContact O-CB 3.2Å; S461-R465 PolarHBondContact O-N 2.82Å
462	Q	92.7	Very high	92.9	Very high	19 Å²	19	35.5 Å²	35.5	9%	0.089	17%	0.171	C	C	.	.	H	α-helix	trans	-65.5	-43.7	172.8	-66.1	-173.1	-57.4	0	0	110.2	N170 I362 F458 F459 A460 R465 Y466	N170-Q462 PolarHBondContact ND2-OE1 2.96Å; I362-Q462 VanDerWaalsContact CD1-C 3.42Å; I362-Q462 HydrophobicContact CD1-CB 3.44Å; I362-Q462 VanDerWaalsContact CD1-CB 3.44Å; I362-Q462 HydrophobicContact CG1-CB 4.2Å; F458-Q462 HydrophobicContact CD1-CG 4.24Å; F458-Q462 HydrophobicContact CE1-CG 3.94Å; F458-Q462 VanDerWaalsContact CE1-NE2 3.25Å; F458-Q462 HydrophobicContact CZ-CG 4.08Å; F458-Q462 WeakPolarHBondContact O-CG 3.35Å; F458-Q462 PolarHBondContact O-N 2.73Å; F459-Q462 WeakPolarHBondContact O-CB 3.35Å; F459-Q462 PolarHBondContact O-N 3.02Å; A460-Q462 VanDerWaalsContact C-N 3.29Å; A460-Q462 PolarHBondContact O-N 3.43Å; Q462-R465 PolarHBondContact O-N 3.14Å; Q462-Y466 HydrophobicContact CB-CD2 4.1Å; Q462-Y466 HydrophobicContact CB-CE2 4.36Å; Q462-Y466 HydrophobicContact CG-CE2 4.39Å; Q462-Y466 WeakPolarHBondContact O-CB 3.48Å; Q462-Y466 WeakPolarHBondContact O-CD2 3.49Å; Q462-Y466 PolarHBondContact O-N 2.92Å
463	V	93.9	Very high	93.1	Very high	3 Å²	3	35 Å²	35	2%	0.018	17%	0.168	C	C	.	.	H	α-helix	trans	-59.7	-51.7	177.1	176.6	0	0	0	0	110.3	N38 I362 L379 F450 F459 A460 R465 Y466 A467 Y470	N38-V463 PolarHBondContact ND2-O 2.89Å; N38-V463 VanDerWaalsContact ND2-O 3.09Å; I362-V463 HydrophobicContact CD1-CB 4.49Å; I362-V463 HydrophobicContact CD1-CG2 3.88Å; L379-V463 HydrophobicContact CD2-CB 4.34Å; L379-V463 HydrophobicContact CD2-CG1 4.17Å; L379-V463 HydrophobicContact CD2-CG2 3.62Å; F450-V463 HydrophobicContact CE1-CB 4.5Å; F450-V463 HydrophobicContact CE1-CG2 4.15Å; F459-V463 HydrophobicContact CD1-CG2 3.94Å; F459-V463 HydrophobicContact CE1-CG2 3.55Å; F459-V463 HydrophobicContact CZ-CG2 3.97Å; F459-V463 WeakPolarHBondContact O-CG2 3.46Å; F459-V463 PolarHBondContact O-N 3.04Å; A460-V463 WeakPolarHBondContact O-CB 3.41Å; A460-V463 PolarHBondContact O-N 2.88Å; A460-V463 VanDerWaalsContact O-N 3.15Å; V463-R465 VanDerWaalsContact C-N 3.33Å; V463-R465 PolarHBondContact O-N 2.93Å; V463-Y466 PolarHBondContact O-N 3.38Å; V463-A467 HydrophobicContact CG1-CB 4.33Å; V463-A467 VanDerWaalsContact O-CB 3.32Å; V463-A467 WeakPolarHBondContact O-CB 3.35Å; V463-A467 PolarHBondContact O-N 3.27Å; V463-Y470 HydrophobicContact CG1-CD1 3.95Å; V463-Y470 HydrophobicContact CG1-CD2 4.25Å; V463-Y470 HydrophobicContact CG1-CE1 4.25Å; V463-Y470 HydrophobicContact CG1-CG 3.95Å
464	E	92.6	Very high	93.6	Very high	69 Å²	69	34.7 Å²	34.7	32%	0.322	16%	0.164	S	C	.	.	H	α-helix	trans	-59.2	-42.8	179	-170.5	174.6	171.2	0	0	112	R39 Q456 A460	R39-E464 PolarHBondContact NH1-O 3.49Å; R39-E464 PolarHBondContact NH2-O 3.46Å; Q456-E464 PolarHBondContact NE2-OE2 2.78Å; A460-E464 PolarHBondContact O-N 2.94Å
465	R	90.4	Very high	94.2	Very high	160 Å²	160	29.9 Å²	29.9	60%	0.604	13%	0.131	S	C	*	.	H	α-helix	trans	-75.2	-35.1	-176.9	-172.2	171.9	-175.6	175.9	5.4	113.8	R39 S461 Q462 V463	R39-R465 VanDerWaalsContact CZ-O 3.32Å; R39-R465 PolarHBondContact NH1-O 2.68Å; R39-R465 VanDerWaalsContact NH2-C 3.31Å; R39-R465 PolarHBondContact NH2-O 2.84Å; S461-R465 WeakPolarHBondContact O-CB 3.2Å; S461-R465 PolarHBondContact O-N 2.82Å; Q462-R465 PolarHBondContact O-N 3.14Å; V463-R465 VanDerWaalsContact C-N 3.33Å; V463-R465 PolarHBondContact O-N 2.93Å
466	Y	90	Very high	94.4	Very high	24 Å²	24	23.7 Å²	23.7	9%	0.094	11%	0.107	C	C	.	.	H	α-helix	trans	-108.8	-45.6	-168.9	-59.5	-58.8	0	0	0	113	V366 L367 K370 T377 Q462 V463	V366-Y466 WeakPolarHBondContact CG1-O 3.32Å; L367-Y466 HydrophobicContact CB-CD1 4.35Å; L367-Y466 HydrophobicContact CB-CG 4.33Å; L367-Y466 HydrophobicContact CD1-CD1 4.46Å; L367-Y466 HydrophobicContact CD1-CD2 4.13Å; L367-Y466 HydrophobicContact CD1-CE1 3.96Å; L367-Y466 HydrophobicContact CD1-CE2 3.58Å; L367-Y466 VanDerWaalsContact CD1-CZ 3.48Å; L367-Y466 HydrophobicContact CG-CD1 4.12Å; L367-Y466 HydrophobicContact CG-CD2 4.49Å; L367-Y466 HydrophobicContact CG-CE1 3.87Å; L367-Y466 HydrophobicContact CG-CE2 4.26Å; L367-Y466 HydrophobicContact CG-CG 4.44Å; K370-Y466 VanDerWaalsContact CD-O 3.29Å; K370-Y466 WeakPolarHBondContact CD-O 3.15Å; K370-Y466 PolarHBondContact NZ-O 3.1Å; T377-Y466 PolarHBondContact OG1-O 3.23Å; Q462-Y466 HydrophobicContact CB-CD2 4.1Å; Q462-Y466 HydrophobicContact CB-CE2 4.36Å; Q462-Y466 HydrophobicContact CG-CE2 4.39Å; Q462-Y466 WeakPolarHBondContact O-CB 3.48Å; Q462-Y466 WeakPolarHBondContact O-CD2 3.49Å; Q462-Y466 PolarHBondContact O-N 2.92Å; V463-Y466 PolarHBondContact O-N 3.38Å
467	A	93.8	Very high	94.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.092	C	C	.	.			trans	-74.2	131.5	-179.3	0	0	0	0	0	110.7	N38 R39 V366 L379 V463	N38-A467 VanDerWaalsContact CB-O 3.29Å; N38-A467 WeakPolarHBondContact CB-O 3.47Å; N38-A467 PolarHBondContact ND2-O 3.39Å; N38-A467 VanDerWaalsContact ND2-O 3.08Å; R39-A467 PolarHBondContact NH1-O 2.81Å; V366-A467 HydrophobicContact CG1-CB 4.5Å; L379-A467 HydrophobicContact CB-CB 3.68Å; L379-A467 HydrophobicContact CD2-CB 4.36Å; V463-A467 HydrophobicContact CG1-CB 4.33Å; V463-A467 VanDerWaalsContact O-CB 3.32Å; V463-A467 WeakPolarHBondContact O-CB 3.35Å; V463-A467 PolarHBondContact O-N 3.27Å
468	D	94.7	Very high	94.5	Very high	4 Å²	4	21 Å²	21	2%	0.021	10%	0.095	C	C	.	.	S	Bend	trans	-79.8	-44.9	170	-57.3	-43.3	0	0	0	110.5	N38 R39 K370 R376 T377	N38-D468 PolarHBondContact N-O 3.1Å; R39-D468 HydrophobicContact CB-CB 4.2Å; R39-D468 VanDerWaalsContact CD-OD1 3.27Å; R39-D468 WeakPolarHBondContact CD-OD1 3.43Å; R39-D468 PolarHBondContact N-O 3.36Å; R39-D468 VanDerWaalsContact N-O 3.16Å; R39-D468 IonicContact NH1-OD1 3.2Å; K370-D468 IonicContact NZ-OD1 2.96Å; K370-D468 PolarHBondContact NZ-OD1 2.96Å; R376-D468 WeakPolarHBondContact CA-OD2 3.24Å; R376-D468 IonicContact CZ-OD2 2.94Å; R376-D468 IonicContact NE-OD2 2.72Å; R376-D468 PolarHBondContact NE-OD2 2.98Å; R376-D468 IonicContact NH2-OD2 3.26Å; T377-D468 PolarHBondContact N-OD2 2.88Å; T377-D468 WeakPolarHBondContact O-CB 3.28Å; T377-D468 PolarHBondContact O-N 2.95Å; T377-D468 VanDerWaalsContact O-N 3.1Å; T377-D468 PolarHBondContact OG1-N 2.93Å; T377-D468 VanDerWaalsContact OG1-N 3.1Å; T377-D468 PolarHBondContact OG1-OD2 2.62Å
469	L	97	Very high	94.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	152.4	173.9	-56.7	179.4	0	0	0	109.4	V35 F36 V37 L41 T377 F378 L379 F486	V35-L469 HydrophobicContact CG1-CB 3.97Å; V35-L469 HydrophobicContact CG1-CD1 4.35Å; V35-L469 HydrophobicContact CG1-CD2 4.25Å; V35-L469 HydrophobicContact CG1-CG 4.42Å; F36-L469 CarbonylContact O-C 3.58Å; F36-L469 VanDerWaalsContact O-CA 3.28Å; F36-L469 WeakPolarHBondContact O-CA 3.22Å; V37-L469 HydrophobicContact CB-CD2 4.17Å; V37-L469 HydrophobicContact CG1-CD2 3.92Å; V37-L469 HydrophobicContact CG2-CD2 3.89Å; L41-L469 HydrophobicContact CD1-CD1 4.2Å; L41-L469 HydrophobicContact CD1-CG 4.47Å; L41-L469 HydrophobicContact CD2-CD1 4.29Å; T377-L469 PolarHBondContact O-N 3.36Å; F378-L469 CarbonylContact C-O 3.58Å; F378-L469 VanDerWaalsContact CA-O 3.28Å; F378-L469 WeakPolarHBondContact CA-O 3.46Å; F378-L469 HydrophobicContact CB-CB 4.46Å; F378-L469 HydrophobicContact CD2-CB 3.68Å; F378-L469 HydrophobicContact CD2-CD1 4.2Å; F378-L469 HydrophobicContact CE2-CB 4.3Å; F378-L469 HydrophobicContact CG-CB 4.28Å; L379-L469 PolarHBondContact N-O 2.86Å; L469-F486 HydrophobicContact CD1-CD2 3.75Å; L469-F486 HydrophobicContact CD1-CE2 3.91Å; L469-F486 HydrophobicContact CD1-CG 4.29Å; L469-F486 HydrophobicContact CD2-CB 3.85Å; L469-F486 HydrophobicContact CD2-CD1 4.22Å; L469-F486 HydrophobicContact CD2-CD2 4.11Å; L469-F486 HydrophobicContact CD2-CG 3.8Å
470	Y	97	Very high	94.5	Very high	41 Å²	41	23.7 Å²	23.7	16%	0.161	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	151.2	169.1	66.5	-79.3	0	0	0	111.3	F36 L379 L384 V463	F36-Y470 HydrophobicContact CB-CD1 3.84Å; F36-Y470 HydrophobicContact CB-CD2 4.07Å; F36-Y470 HydrophobicContact CB-CE1 3.38Å; F36-Y470 HydrophobicContact CB-CE2 3.64Å; F36-Y470 HydrophobicContact CB-CG 4.16Å; F36-Y470 HydrophobicContact CD2-CD2 4.49Å; F36-Y470 HydrophobicContact CD2-CE2 4.14Å; F36-Y470 HydrophobicContact CG-CE1 4.46Å; F36-Y470 AromaticContact CG-CE2 3.94Å; F36-Y470 HydrophobicContact CG-CE2 3.94Å; F36-Y470 AromaticContact CG-CZ 3.88Å; F36-Y470 PolarHBondContact N-O 3.39Å; F36-Y470 PolarHBondContact O-N 3.2Å; L379-Y470 WeakPolarHBondContact O-CA 3.42Å; L379-Y470 VanDerWaalsContact O-CB 3.31Å; L379-Y470 WeakPolarHBondContact O-CB 3.35Å; L384-Y470 HydrophobicContact CD1-CE2 4.31Å; L384-Y470 HydrophobicContact CD2-CD2 3.89Å; L384-Y470 HydrophobicContact CD2-CE2 3.95Å; V463-Y470 HydrophobicContact CG1-CD1 3.95Å; V463-Y470 HydrophobicContact CG1-CD2 4.25Å; V463-Y470 HydrophobicContact CG1-CE1 4.25Å; V463-Y470 HydrophobicContact CG1-CG 3.95Å
471	A	96.3	Very high	94.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	174.2	175	0	0	0	0	0	109.9	V35 F378 L379 V380 V381 S473 N476	V35-A471 HydrophobicContact CG2-CB 4.3Å; F378-A471 HydrophobicContact CE1-CB 4.08Å; F378-A471 HydrophobicContact CZ-CB 3.57Å; L379-A471 PolarHBondContact O-N 2.8Å; L379-A471 VanDerWaalsContact O-N 3.13Å; V380-A471 WeakPolarHBondContact CA-O 3.45Å; V381-A471 PolarHBondContact N-O 2.72Å; A471-S473 VanDerWaalsContact C-N 3.27Å; A471-S473 PolarHBondContact O-N 3.26Å; A471-N476 HydrophobicContact CB-CB 3.97Å
472	H	92.5	Very high	94.5	Very high	33 Å²	33	25.8 Å²	25.8	15%	0.153	12%	0.115	C	C	.	.	S	Bend	trans	-69.8	-26.2	175.2	81.3	74.8	0	0	0	113.3	D32 V380 V381 L384 L385 N476	D32-H472 PolarHBondContact O-CD2 2.97Å; D32-H472 VanDerWaalsContact O-CD2 3.29Å; D32-H472 PolarHBondContact O-NE2 2.76Å; V380-H472 WeakPolarHBondContact CG1-O 3.48Å; V381-H472 VanDerWaalsContact O-CA 3.29Å; V381-H472 WeakPolarHBondContact O-CA 3.49Å; L384-H472 HydrophobicContact CB-CB 4.38Å; L385-H472 HydrophobicContact CB-CB 4.27Å; H472-N476 PolarHBondContact NE2-OD1 3.34Å
473	S	94.5	Very high	94.5	Very high	11 Å²	11	32.3 Å²	32.3	8%	0.077	14%	0.143	C	C	.	.			trans	-145.9	147.7	-179.9	176.6	0	0	0	0	111	A471 C475 N476	A471-S473 VanDerWaalsContact C-N 3.27Å; A471-S473 PolarHBondContact O-N 3.26Å; S473-C475 PolarHBondContact O-N 3.23Å; S473-C475 PolarHBondContact OG-N 2.7Å; S473-C475 VanDerWaalsContact OG-N 3.15Å; S473-N476 WeakPolarHBondContact O-CB 3.38Å; S473-N476 PolarHBondContact O-N 3.31Å; S473-N476 PolarHBondContact O-OD1 2.92Å
474	C	96.5	Very high	94.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-62.5	-26.5	170.9	63.6	0	0	0	0	112.5	F51 T56 L251 V358 V380 N476 L477	F51-C474 HydrophobicContact CE1-CB 4.21Å; T56-C474 PolarHBondContact O-SG 2.9Å; L251-C474 HydrophobicContact CD2-CB 4.4Å; V358-C474 HydrophobicContact CG1-CB 3.74Å; V380-C474 HydrophobicContact CG2-CB 4.36Å; C474-N476 PolarHBondContact O-N 3.28Å; C474-N476 VanDerWaalsContact O-N 3.1Å; C474-L477 WeakPolarHBondContact O-CB 3.32Å; C474-L477 PolarHBondContact O-N 3.46Å; C474-L477 VanDerWaalsContact O-N 3.14Å
475	C	96.2	Very high	94.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-64.9	-13.4	176.8	-71	0	0	0	0	113	R247 S473 L477 L478	R247-C475 HydrophobicContact CB-CB 4.21Å; S473-C475 PolarHBondContact O-N 3.23Å; S473-C475 PolarHBondContact OG-N 2.7Å; S473-C475 VanDerWaalsContact OG-N 3.15Å; C475-L477 PolarHBondContact O-N 3.06Å; C475-L478 VanDerWaalsContact O-CB 3.3Å; C475-L478 WeakPolarHBondContact O-CB 3.06Å; C475-L478 PolarHBondContact O-N 2.85Å
476	N	95.6	Very high	94.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-62.4	-21.9	173.7	-70.9	32.3	0	0	0	112.4	D32 R34 V35 A471 H472 S473 C474 L478 Y479 Y480	D32-N476 PolarHBondContact O-ND2 3.49Å; D32-N476 PolarHBondContact O-OD1 3.1Å; R34-N476 PolarHBondContact O-ND2 3.49Å; V35-N476 HydrophobicContact CG2-CB 3.74Å; A471-N476 HydrophobicContact CB-CB 3.97Å; H472-N476 PolarHBondContact NE2-OD1 3.34Å; S473-N476 WeakPolarHBondContact O-CB 3.38Å; S473-N476 PolarHBondContact O-N 3.31Å; S473-N476 PolarHBondContact O-OD1 2.92Å; C474-N476 PolarHBondContact O-N 3.28Å; C474-N476 VanDerWaalsContact O-N 3.1Å; N476-L478 PolarHBondContact O-N 2.88Å; N476-Y479 VanDerWaalsContact O-CD2 3.31Å; N476-Y479 WeakPolarHBondContact O-CD2 3.47Å; N476-Y479 PolarHBondContact O-N 2.9Å; N476-Y480 WeakPolarHBondContact O-CD2 3.32Å
477	L	96.6	Very high	95	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-63.3	-24.5	173.2	-71.3	170.1	0	0	0	113.1	V35 L43 L251 M255 F378 C474 C475 Y479 Y480 F486	V35-L477 HydrophobicContact CG2-CD2 4.4Å; L43-L477 HydrophobicContact CD1-CD2 4.44Å; L251-L477 HydrophobicContact CD1-CB 3.83Å; M255-L477 HydrophobicContact CE-CD1 3.78Å; F378-L477 HydrophobicContact CD2-CD1 4.21Å; F378-L477 HydrophobicContact CD2-CD2 4.25Å; F378-L477 HydrophobicContact CD2-CG 4.32Å; F378-L477 HydrophobicContact CE2-CD1 4.12Å; F378-L477 HydrophobicContact CE2-CD2 3.88Å; F378-L477 HydrophobicContact CE2-CG 3.8Å; F378-L477 HydrophobicContact CZ-CG 4.46Å; C474-L477 WeakPolarHBondContact O-CB 3.32Å; C474-L477 PolarHBondContact O-N 3.46Å; C474-L477 VanDerWaalsContact O-N 3.14Å; C475-L477 PolarHBondContact O-N 3.06Å; L477-Y479 PolarHBondContact O-N 2.86Å; L477-Y479 VanDerWaalsContact O-N 3.13Å; L477-Y480 PolarHBondContact O-N 3.46Å; L477-Y480 VanDerWaalsContact O-N 3.14Å; L477-F486 HydrophobicContact CD2-CE2 4.33Å; L477-F486 HydrophobicContact CD2-CZ 4.34Å
478	L	95.2	Very high	94.9	Very high	17 Å²	17	35.1 Å²	35.1	9%	0.089	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-61.7	-21	177.5	-78.9	170.4	0	0	0	114	R247 M250 L251 C475 N476 Y480	R247-L478 HydrophobicContact CB-CD1 3.65Å; R247-L478 HydrophobicContact CG-CD1 4.36Å; M250-L478 HydrophobicContact CG-CD2 4.12Å; M250-L478 HydrophobicContact SD-CD2 4.38Å; L251-L478 HydrophobicContact CB-CD1 4.2Å; L251-L478 HydrophobicContact CB-CD2 4.09Å; L251-L478 HydrophobicContact CB-CG 4Å; L251-L478 HydrophobicContact CD1-CD2 4.13Å; L251-L478 HydrophobicContact CD1-CG 3.8Å; C475-L478 VanDerWaalsContact O-CB 3.3Å; C475-L478 WeakPolarHBondContact O-CB 3.06Å; C475-L478 PolarHBondContact O-N 2.85Å; N476-L478 PolarHBondContact O-N 2.88Å; L478-Y480 PolarHBondContact O-N 3.29Å
479	Y	94.1	Very high	94.6	Very high	71 Å²	71	38.4 Å²	38.4	28%	0.278	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-87.7	5.6	-178.4	-52.2	-65.3	0	0	0	113	F25 C33 R247 N476 L477	F25-Y479 HydrophobicContact CE2-CD1 4.43Å; C33-Y479 HydrophobicContact CB-CD1 4.32Å; C33-Y479 HydrophobicContact CB-CD2 3.42Å; C33-Y479 VanDerWaalsContact CB-CD2 3.42Å; C33-Y479 HydrophobicContact CB-CE1 4.47Å; C33-Y479 HydrophobicContact CB-CE2 3.58Å; C33-Y479 HydrophobicContact CB-CG 3.81Å; C33-Y479 WeakPolarHBondContact O-CD2 3.43Å; C33-Y479 WeakPolarHBondContact SG-CE2 3.3Å; R247-Y479 PolarHBondContact NH1-OH 2.77Å; N476-Y479 VanDerWaalsContact O-CD2 3.31Å; N476-Y479 WeakPolarHBondContact O-CD2 3.47Å; N476-Y479 PolarHBondContact O-N 2.9Å; L477-Y479 PolarHBondContact O-N 2.86Å; L477-Y479 VanDerWaalsContact O-N 3.13Å
480	Y	95	Very high	94	Very high	12 Å²	12	42.8 Å²	42.8	5%	0.047	21%	0.214	C	C	.	.	S	Bend	trans	-125.9	143.7	177.9	-61.7	-99.3	0	0	0	109.2	F22 V35 N476 L477 L478 Y484 F486	F22-Y480 HydrophobicContact CE1-CD1 4.48Å; F22-Y480 HydrophobicContact CE1-CE1 4.03Å; F22-Y480 HydrophobicContact CZ-CD1 4.31Å; F22-Y480 AromaticContact CZ-CE1 3.46Å; F22-Y480 HydrophobicContact CZ-CE1 3.46Å; F22-Y480 VanDerWaalsContact CZ-CE1 3.46Å; F22-Y480 HydrophobicContact CZ-CE2 4.38Å; F22-Y480 AromaticContact CZ-CZ 3.5Å; F22-Y480 VanDerWaalsContact CZ-CZ 3.5Å; F22-Y480 WeakPolarHBondContact CZ-OH 3.3Å; V35-Y480 HydrophobicContact CB-CE2 3.97Å; V35-Y480 HydrophobicContact CG2-CD2 4.25Å; V35-Y480 HydrophobicContact CG2-CE2 3.7Å; V35-Y480 PolarHBondContact N-OH 3.16Å; N476-Y480 WeakPolarHBondContact O-CD2 3.32Å; L477-Y480 PolarHBondContact O-N 3.46Å; L477-Y480 VanDerWaalsContact O-N 3.14Å; L478-Y480 PolarHBondContact O-N 3.29Å; Y480-Y484 AromaticContact CD1-CD1 3.61Å; Y480-Y484 HydrophobicContact CD1-CD1 3.61Å; Y480-Y484 HydrophobicContact CD1-CD2 4.01Å; Y480-Y484 AromaticContact CD1-CE1 3.72Å; Y480-Y484 HydrophobicContact CD1-CE1 3.72Å; Y480-Y484 HydrophobicContact CD1-CE2 4.08Å; Y480-Y484 AromaticContact CD1-CG 3.77Å; Y480-Y484 HydrophobicContact CD1-CG 3.77Å; Y480-Y484 AromaticContact CD1-CZ 3.95Å; Y480-Y484 HydrophobicContact CE1-CD1 4.21Å; Y480-Y484 AromaticContact CE1-CE1 3.87Å; Y480-Y484 HydrophobicContact CE1-CE1 3.87Å; Y480-F486 AromaticContact CD1-CE1 3.66Å; Y480-F486 HydrophobicContact CD1-CE1 3.66Å; Y480-F486 AromaticContact CD1-CZ 3.69Å; Y480-F486 HydrophobicContact CD1-CZ 3.69Å; Y480-F486 HydrophobicContact CD2-CE1 4.4Å; Y480-F486 HydrophobicContact CD2-CZ 4.04Å; Y480-F486 HydrophobicContact CE1-CD1 4.38Å; Y480-F486 AromaticContact CE1-CE1 3.41Å; Y480-F486 HydrophobicContact CE1-CE1 3.41Å; Y480-F486 VanDerWaalsContact CE1-CE1 3.41Å; Y480-F486 AromaticContact CE1-CZ 3.91Å; Y480-F486 HydrophobicContact CE1-CZ 3.91Å; Y480-F486 HydrophobicContact CE2-CE1 4.25Å; Y480-F486 HydrophobicContact CE2-CZ 4.3Å; Y480-F486 HydrophobicContact CG-CE1 4.13Å; Y480-F486 AromaticContact CG-CZ 3.74Å; Y480-F486 HydrophobicContact CG-CZ 3.74Å; Y480-F486 AromaticContact CZ-CE1 3.75Å
481	P	94.6	Very high	93.4	Very high	53 Å²	53	48.3 Å²	48.3	34%	0.344	24%	0.243	S	C	.	.			trans	-63.5	146.7	167.6	25.2	-30	0	0	0	110.1	F483 Y484	P481-F483 HydrophobicContact CB-CD1 3.95Å; P481-F483 HydrophobicContact CB-CD2 4.1Å; P481-F483 HydrophobicContact CB-CE1 3.57Å; P481-F483 HydrophobicContact CB-CE2 3.72Å; P481-F483 HydrophobicContact CB-CG 4.21Å; P481-F483 HydrophobicContact CB-CZ 3.44Å; P481-F483 VanDerWaalsContact CB-CZ 3.44Å; P481-F483 HydrophobicContact CG-CD2 4.2Å; P481-F483 HydrophobicContact CG-CE2 3.77Å; P481-F483 HydrophobicContact CG-CZ 3.95Å; P481-F483 PolarHBondContact O-N 2.89Å; P481-Y484 HydrophobicContact CG-CD2 4.11Å; P481-Y484 WeakPolarHBondContact O-CB 3.37Å; P481-Y484 PolarHBondContact O-N 3.27Å
482	F	94.6	Very high	92.9	Very high	23 Å²	23	53.2 Å²	53.2	10%	0.101	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	9	179.1	-77.7	-75	0	0	0	114.7	L43 G44 F49 L251 R254 M255 T258	L43-F482 CarbonylContact C-O 3.59Å; L43-F482 WeakPolarHBondContact CB-O 3.36Å; L43-F482 HydrophobicContact CD1-CD1 4.22Å; G44-F482 PolarHBondContact N-O 2.9Å; F49-F482 HydrophobicContact CE1-CE1 4.45Å; F49-F482 AromaticContact CZ-CD1 3.98Å; F49-F482 HydrophobicContact CZ-CD1 3.98Å; F49-F482 HydrophobicContact CZ-CE1 4.24Å; L251-F482 HydrophobicContact CD1-CZ 4.02Å; R254-F482 HydrophobicContact CB-CD2 4.17Å; R254-F482 HydrophobicContact CB-CE2 3.59Å; M255-F482 HydrophobicContact CE-CE1 3.53Å; M255-F482 HydrophobicContact CE-CZ 3.87Å; M255-F482 HydrophobicContact CG-CD1 4.11Å; M255-F482 HydrophobicContact CG-CE1 3.36Å; M255-F482 HydrophobicContact CG-CE2 4.23Å; M255-F482 HydrophobicContact CG-CZ 3.43Å; M255-F482 VanDerWaalsContact CG-CZ 3.43Å; M255-F482 HydrophobicContact SD-CE1 4.35Å; T258-F482 HydrophobicContact CG2-CB 3.5Å; T258-F482 VanDerWaalsContact CG2-CB 3.5Å; T258-F482 HydrophobicContact CG2-CD2 4.35Å; T258-F482 HydrophobicContact CG2-CG 4.11Å
483	F	93.5	Very high	92.8	Very high	156 Å²	156	56.8 Å²	56.8	68%	0.684	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	9.5	164.8	55.6	-100.7	0	0	0	111.9	P481	P481-F483 HydrophobicContact CB-CD1 3.95Å; P481-F483 HydrophobicContact CB-CD2 4.1Å; P481-F483 HydrophobicContact CB-CE1 3.57Å; P481-F483 HydrophobicContact CB-CE2 3.72Å; P481-F483 HydrophobicContact CB-CG 4.21Å; P481-F483 HydrophobicContact CB-CZ 3.44Å; P481-F483 VanDerWaalsContact CB-CZ 3.44Å; P481-F483 HydrophobicContact CG-CD2 4.2Å; P481-F483 HydrophobicContact CG-CE2 3.77Å; P481-F483 HydrophobicContact CG-CZ 3.95Å; P481-F483 PolarHBondContact O-N 2.89Å
484	Y	95.5	Very high	92.3	Very high	57 Å²	57	60.7 Å²	60.7	22%	0.224	31%	0.312	C	S	.	.			trans	-63.6	138.8	-178	-167.8	-96.2	0	0	0	111.5	L43 Y480 P481 F486	L43-Y484 PolarHBondContact N-O 3.43Å; Y480-Y484 AromaticContact CD1-CD1 3.61Å; Y480-Y484 HydrophobicContact CD1-CD1 3.61Å; Y480-Y484 HydrophobicContact CD1-CD2 4.01Å; Y480-Y484 AromaticContact CD1-CE1 3.72Å; Y480-Y484 HydrophobicContact CD1-CE1 3.72Å; Y480-Y484 HydrophobicContact CD1-CE2 4.08Å; Y480-Y484 AromaticContact CD1-CG 3.77Å; Y480-Y484 HydrophobicContact CD1-CG 3.77Å; Y480-Y484 AromaticContact CD1-CZ 3.95Å; Y480-Y484 HydrophobicContact CE1-CD1 4.21Å; Y480-Y484 AromaticContact CE1-CE1 3.87Å; Y480-Y484 HydrophobicContact CE1-CE1 3.87Å; P481-Y484 HydrophobicContact CG-CD2 4.11Å; P481-Y484 WeakPolarHBondContact O-CB 3.37Å; P481-Y484 PolarHBondContact O-N 3.27Å; Y484-F486 AromaticContact CD1-CD1 3.85Å; Y484-F486 HydrophobicContact CD1-CD1 3.85Å; Y484-F486 HydrophobicContact CD1-CD2 4.03Å; Y484-F486 AromaticContact CD1-CE1 3.88Å; Y484-F486 HydrophobicContact CD1-CE1 3.88Å; Y484-F486 HydrophobicContact CD1-CE2 4.07Å; Y484-F486 AromaticContact CD1-CG 3.92Å; Y484-F486 HydrophobicContact CD1-CG 3.92Å; Y484-F486 AromaticContact CD1-CZ 3.99Å; Y484-F486 HydrophobicContact CD1-CZ 3.99Å; Y484-F486 AromaticContact CE1-CD1 3.75Å; Y484-F486 HydrophobicContact CE1-CD1 3.75Å; Y484-F486 AromaticContact CE1-CE1 3.95Å; Y484-F486 HydrophobicContact CE1-CE1 3.95Å; Y484-F486 HydrophobicContact CE1-CG 4.16Å
485	F	94.5	Very high	92	Very high	69 Å²	69	66.1 Å²	66.1	30%	0.303	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	100.6	174.2	-177.2	-136.7	0	0	0	110.5	E42 R487 D570	E42-F485 HydrophobicContact CB-CD2 3.79Å; E42-F485 HydrophobicContact CB-CE2 4.42Å; E42-F485 HydrophobicContact CG-CB 4.49Å; E42-F485 HydrophobicContact CG-CD2 4.28Å; F485-R487 HydrophobicContact CE1-CB 4.41Å; F485-R487 HydrophobicContact CE1-CG 4.42Å; F485-R487 PolarHBondContact O-N 3.16Å; F485-D570 HydrophobicContact CE1-CB 4.26Å; F485-D570 HydrophobicContact CZ-CB 3.81Å; F485-D570 WeakPolarHBondContact CZ-OD1 3.42Å
486	F	96	Very high	91.4	Very high	3 Å²	3	70.6 Å²	70.6	1%	0.013	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	119.3	170.3	-70.2	-75.7	0	0	0	108.7	V35 V37 S40 L41 L43 L469 L477 Y480 Y484	V35-F486 HydrophobicContact CB-CE1 3.77Å; V35-F486 HydrophobicContact CB-CZ 4.08Å; V35-F486 HydrophobicContact CG1-CD1 4.43Å; V35-F486 HydrophobicContact CG1-CE1 3.85Å; V35-F486 HydrophobicContact CG1-CZ 4.06Å; V35-F486 HydrophobicContact CG2-CZ 4.41Å; V37-F486 HydrophobicContact CG1-CB 4.02Å; V37-F486 HydrophobicContact CG2-CB 3.8Å; V37-F486 HydrophobicContact CG2-CD1 3.58Å; V37-F486 HydrophobicContact CG2-CG 4.08Å; S40-F486 CarbonylContact C-O 3.12Å; S40-F486 WeakPolarHBondContact CA-O 3.44Å; S40-F486 WeakPolarHBondContact CB-O 3.42Å; L41-F486 HydrophobicContact CB-CB 4.47Å; L41-F486 PolarHBondContact N-O 3.41Å; L41-F486 WeakPolarHBondContact O-CB 3.15Å; L41-F486 PolarHBondContact O-N 2.98Å; L43-F486 HydrophobicContact CD1-CE2 3.76Å; L43-F486 HydrophobicContact CD2-CE2 4.29Å; L43-F486 HydrophobicContact CG-CD2 4.25Å; L43-F486 HydrophobicContact CG-CE2 3.85Å; L469-F486 HydrophobicContact CD1-CD2 3.75Å; L469-F486 HydrophobicContact CD1-CE2 3.91Å; L469-F486 HydrophobicContact CD1-CG 4.29Å; L469-F486 HydrophobicContact CD2-CB 3.85Å; L469-F486 HydrophobicContact CD2-CD1 4.22Å; L469-F486 HydrophobicContact CD2-CD2 4.11Å; L469-F486 HydrophobicContact CD2-CG 3.8Å; L477-F486 HydrophobicContact CD2-CE2 4.33Å; L477-F486 HydrophobicContact CD2-CZ 4.34Å; Y480-F486 AromaticContact CD1-CE1 3.66Å; Y480-F486 HydrophobicContact CD1-CE1 3.66Å; Y480-F486 AromaticContact CD1-CZ 3.69Å; Y480-F486 HydrophobicContact CD1-CZ 3.69Å; Y480-F486 HydrophobicContact CD2-CE1 4.4Å; Y480-F486 HydrophobicContact CD2-CZ 4.04Å; Y480-F486 HydrophobicContact CE1-CD1 4.38Å; Y480-F486 AromaticContact CE1-CE1 3.41Å; Y480-F486 HydrophobicContact CE1-CE1 3.41Å; Y480-F486 VanDerWaalsContact CE1-CE1 3.41Å; Y480-F486 AromaticContact CE1-CZ 3.91Å; Y480-F486 HydrophobicContact CE1-CZ 3.91Å; Y480-F486 HydrophobicContact CE2-CE1 4.25Å; Y480-F486 HydrophobicContact CE2-CZ 4.3Å; Y480-F486 HydrophobicContact CG-CE1 4.13Å; Y480-F486 AromaticContact CG-CZ 3.74Å; Y480-F486 HydrophobicContact CG-CZ 3.74Å; Y480-F486 AromaticContact CZ-CE1 3.75Å; Y484-F486 AromaticContact CD1-CD1 3.85Å; Y484-F486 HydrophobicContact CD1-CD1 3.85Å; Y484-F486 HydrophobicContact CD1-CD2 4.03Å; Y484-F486 AromaticContact CD1-CE1 3.88Å; Y484-F486 HydrophobicContact CD1-CE1 3.88Å; Y484-F486 HydrophobicContact CD1-CE2 4.07Å; Y484-F486 AromaticContact CD1-CG 3.92Å; Y484-F486 HydrophobicContact CD1-CG 3.92Å; Y484-F486 AromaticContact CD1-CZ 3.99Å; Y484-F486 HydrophobicContact CD1-CZ 3.99Å; Y484-F486 AromaticContact CE1-CD1 3.75Å; Y484-F486 HydrophobicContact CE1-CD1 3.75Å; Y484-F486 AromaticContact CE1-CE1 3.95Å; Y484-F486 HydrophobicContact CE1-CE1 3.95Å; Y484-F486 HydrophobicContact CE1-CG 4.16Å
487	R	91.9	Very high	90.8	Very high	164 Å²	164	74.3 Å²	74.3	62%	0.619	38%	0.383	S	S	*	.			trans	-108.9	125.1	178.7	-166.7	179.3	167.6	128.3	4.7	110.5	F485 D570	F485-R487 HydrophobicContact CE1-CB 4.41Å; F485-R487 HydrophobicContact CE1-CG 4.42Å; F485-R487 PolarHBondContact O-N 3.16Å; R487-D570 IonicContact CZ-OD2 3.72Å; R487-D570 IonicContact NE-OD2 2.67Å; R487-D570 IonicContact NH2-OD2 2.75Å
488	A	91.6	Very high	89.8	Confident	23 Å²	23	79.3 Å²	79.3	19%	0.19	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-72.5	146.9	173.4	0	0	0	0	0	110.4	V37 S40	V37-A488 HydrophobicContact CG1-CB 4.14Å; S40-A488 PolarHBondContact OG-N 2.98Å
489	A	88	Confident	88.9	Confident	73 Å²	73	83.2 Å²	83.2	60%	0.603	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-69.3	147.4	169.9	0	0	0	0	0	109.9	M491	A489-M491 PolarHBondContact O-N 2.94Å
490	P	84.2	Confident	87.7	Confident	92 Å²	92	86.5 Å²	86.5	60%	0.597	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-60.6	133.4	173.9	25.9	-33.4	0	0	0	110.3	L492	P490-L492 HydrophobicContact CB-CD2 4.37Å; P490-L492 HydrophobicContact CG-CD2 4.46Å; P490-L492 PolarHBondContact O-N 3.29Å; P490-L492 VanDerWaalsContact O-N 3.14Å
491	M	84.8	Confident	86.5	Confident	156 Å²	156	94.4 Å²	94.4	77%	0.768	49%	0.493	S	S	*	.			trans	-79.7	93.7	174.8	-67.5	-176.3	74.1	0	0	109.1	A489 M493	A489-M491 PolarHBondContact O-N 2.94Å; M491-M493 PolarHBondContact O-N 3.16Å
492	L	85	Confident	84.8	Confident	103 Å²	103	96.7 Å²	96.7	54%	0.539	50%	0.5	S	S	.	.			trans	-72.4	128.3	-179.9	-59	-178.5	0	0	0	111	P490 E496	P490-L492 HydrophobicContact CB-CD2 4.37Å; P490-L492 HydrophobicContact CG-CD2 4.46Å; P490-L492 PolarHBondContact O-N 3.29Å; P490-L492 VanDerWaalsContact O-N 3.14Å; L492-E496 WeakPolarHBondContact CA-OE2 3.42Å; L492-E496 HydrophobicContact CB-CB 4.17Å; L492-E496 HydrophobicContact CD2-CB 4.07Å
493	M	90.3	Very high	82.8	Confident	109 Å²	109	100.6 Å²	100.6	54%	0.537	53%	0.525	S	S	.	.			trans	-67.6	157.8	164.6	-66	-61.3	-71	0	0	109.9	M491 H495 E496 S497	M491-M493 PolarHBondContact O-N 3.16Å; M493-H495 VanDerWaalsContact C-N 3.27Å; M493-H495 VanDerWaalsContact CB-CE1 3.49Å; M493-H495 WeakPolarHBondContact CB-CE1 3.41Å; M493-H495 PolarHBondContact O-N 3.43Å; M493-H495 VanDerWaalsContact O-N 3.14Å; M493-E496 HydrophobicContact CB-CG 4.21Å; M493-E496 PolarHBondContact N-OE2 2.99Å; M493-E496 WeakPolarHBondContact O-CB 3.39Å; M493-E496 PolarHBondContact O-N 3.4Å; M493-S497 PolarHBondContact O-N 3.05Å; M493-S497 VanDerWaalsContact O-N 3.07Å
494	P	85.7	Confident	80.7	Confident	92 Å²	92	99 Å²	99	60%	0.597	53%	0.534	S	S	*	.	H	α-helix	trans	-51	-43.7	-178.2	-30.9	36.6	0	0	0	113.8	E496 S497 T498	P494-E496 PolarHBondContact O-N 3.34Å; P494-S497 PolarHBondContact O-N 2.94Å; P494-S497 PolarHBondContact O-OG 3.02Å; P494-T498 WeakPolarHBondContact O-CG2 3.23Å; P494-T498 PolarHBondContact O-N 3.13Å; P494-T498 VanDerWaalsContact O-N 3.11Å; P494-T498 PolarHBondContact O-OG1 3.35Å
495	H	88.9	Confident	78.5	Confident	116 Å²	116	103.9 Å²	103.9	54%	0.537	56%	0.559	S	S	.	*	H	α-helix	trans	-66.9	-31.9	178.8	65.2	-86.2	0	0	0	113.6	M493 S497 V499	M493-H495 VanDerWaalsContact C-N 3.27Å; M493-H495 VanDerWaalsContact CB-CE1 3.49Å; M493-H495 WeakPolarHBondContact CB-CE1 3.41Å; M493-H495 PolarHBondContact O-N 3.43Å; M493-H495 VanDerWaalsContact O-N 3.14Å; H495-S497 VanDerWaalsContact C-N 3.3Å; H495-V499 VanDerWaalsContact O-CB 3.27Å; H495-V499 WeakPolarHBondContact O-CB 3.27Å; H495-V499 WeakPolarHBondContact O-CG2 3.28Å; H495-V499 PolarHBondContact O-N 2.85Å
496	E	84.2	Confident	76.2	Confident	94 Å²	94	105.5 Å²	105.5	44%	0.439	58%	0.578	S	S	.	*	H	α-helix	trans	-73.4	-27.6	175.9	-57.4	174.4	138.7	0	0	111.5	L492 M493 P494	L492-E496 WeakPolarHBondContact CA-OE2 3.42Å; L492-E496 HydrophobicContact CB-CB 4.17Å; L492-E496 HydrophobicContact CD2-CB 4.07Å; M493-E496 HydrophobicContact CB-CG 4.21Å; M493-E496 PolarHBondContact N-OE2 2.99Å; M493-E496 WeakPolarHBondContact O-CB 3.39Å; M493-E496 PolarHBondContact O-N 3.4Å; P494-E496 PolarHBondContact O-N 3.34Å
497	S	81.7	Confident	74	Confident	77 Å²	77	112.6 Å²	112.6	54%	0.538	62%	0.615	S	S	.	*	H	α-helix	trans	-83.1	-20.7	177.3	73.5	0	0	0	0	114.1	M493 P494 H495	M493-S497 PolarHBondContact O-N 3.05Å; M493-S497 VanDerWaalsContact O-N 3.07Å; P494-S497 PolarHBondContact O-N 2.94Å; P494-S497 PolarHBondContact O-OG 3.02Å; H495-S497 VanDerWaalsContact C-N 3.3Å
498	T	76.4	Confident	71.9	Confident	106 Å²	106	110.3 Å²	110.3	65%	0.65	62%	0.615	S	S	*	*	H	α-helix	trans	-112.9	-24.8	-173.1	59.7	0	0	0	0	114.8	P494	P494-T498 WeakPolarHBondContact O-CG2 3.23Å; P494-T498 PolarHBondContact O-N 3.13Å; P494-T498 VanDerWaalsContact O-N 3.11Å; P494-T498 PolarHBondContact O-OG1 3.35Å
499	V	75.7	Confident	69.9	Low	99 Å²	99	115 Å²	115	60%	0.6	65%	0.646	S	S	*	*	S	Bend	trans	-84	117.6	179.3	179	0	0	0	0	109.1	H495	H495-V499 VanDerWaalsContact O-CB 3.27Å; H495-V499 WeakPolarHBondContact O-CB 3.27Å; H495-V499 WeakPolarHBondContact O-CG2 3.28Å; H495-V499 PolarHBondContact O-N 2.85Å
500	E	69.8	Low	67.9	Low	140 Å²	140	114.3 Å²	114.3	65%	0.654	65%	0.646	S	S	*	*			trans	-68	139.1	173.4	-62.9	-171.8	168.6	0	0	110	E502	E500-E502 HydrophobicContact CB-CG 4.26Å; E500-E502 PolarHBondContact O-N 2.75Å
501	H	69.3	Low	66.1	Low	177 Å²	177	113.1 Å²	113.1	82%	0.819	64%	0.644	S	S	*	*			trans	-70.8	25.6	172.1	-66.2	-74.9	0	0	0	113.1	T503	H501-T503 PolarHBondContact O-N 3.24Å; H501-T503 VanDerWaalsContact O-N 3.16Å
502	E	59.3	Low	64.1	Low	102 Å²	102	113.9 Å²	113.9	48%	0.477	65%	0.646	S	S	.	*			trans	-73.3	110	177.1	-68.2	-156	157.6	0	0	109.6	E500	E500-E502 HydrophobicContact CB-CG 4.26Å; E500-E502 PolarHBondContact O-N 2.75Å
503	T	52.8	Low	62.2	Low	104 Å²	104	116.7 Å²	116.7	64%	0.638	66%	0.66	S	S	*	*			trans	30.6	114.7	150.7	40.4	0	0	0	0	117.6	H501 E505	H501-T503 PolarHBondContact O-N 3.24Å; H501-T503 VanDerWaalsContact O-N 3.16Å; T503-E505 PolarHBondContact O-N 3.16Å
504	S	49.7	Very low	60	Low	123 Å²	123	120.1 Å²	120.1	86%	0.86	68%	0.677	S	S	*	*			trans	-57	41.8	169.7	-42.5	0	0	0	0	115.6	S506	S504-S506 PolarHBondContact O-N 3.35Å
505	E	48.3	Very low	57.9	Low	160 Å²	160	118.4 Å²	118.4	75%	0.748	68%	0.676	S	S	*	*			trans	-71	101.9	167.6	-68.5	-173.2	-178.9	0	0	107.1	T503	T503-E505 PolarHBondContact O-N 3.16Å
506	S	46.8	Very low	55.6	Low	103 Å²	103	124.5 Å²	124.5	72%	0.72	70%	0.695	S	S	*	*			trans	55.9	75.5	170.9	56.5	0	0	0	0	114.9	S504 D508	S504-S506 PolarHBondContact O-N 3.35Å; S506-D508 PolarHBondContact O-N 3.27Å
507	I	49.2	Very low	53.3	Low	152 Å²	152	123.4 Å²	123.4	78%	0.779	71%	0.709	S	S	*	*			trans	-65	92.4	134.7	-61.1	176.6	0	0	0	103.7	S509 A511	I507-S509 PolarHBondContact O-N 2.89Å; I507-A511 HydrophobicContact CG2-CB 4.36Å
508	D	47.4	Very low	51.2	Low	116 Å²	116	130.1 Å²	130.1	62%	0.62	72%	0.722	S	S	*	*			trans	-48	124.4	177.9	-167.4	-0.9	0	0	0	107.6	S506 G510 A511	S506-D508 PolarHBondContact O-N 3.27Å; D508-G510 PolarHBondContact O-N 3.19Å; D508-A511 PolarHBondContact O-N 3.22Å
509	S	51	Low	49.3	Very low	121 Å²	121	131.7 Å²	131.7	85%	0.846	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-4.9	-179.9	34.8	0	0	0	0	113.5	I507	I507-S509 PolarHBondContact O-N 2.89Å
510	G	45.5	Very low	47.6	Very low	59 Å²	59	133.7 Å²	133.7	61%	0.608	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-15.4	168.5	0	0	0	0	0	115.4	D508 Q512	D508-G510 PolarHBondContact O-N 3.19Å; G510-Q512 PolarHBondContact O-N 3.09Å
511	A	45.7	Very low	45.9	Very low	66 Å²	66	132 Å²	132	55%	0.545	75%	0.748	S	S	.	*			trans	-73	78.5	165.9	0	0	0	0	0	107.9	I507 D508 L513	I507-A511 HydrophobicContact CG2-CB 4.36Å; D508-A511 PolarHBondContact O-N 3.22Å; A511-L513 PolarHBondContact O-N 2.67Å
512	Q	43.8	Very low	44.1	Very low	172 Å²	172	125.5 Å²	125.5	80%	0.804	73%	0.728	S	S	*	*			trans	-48.5	95.2	155.2	-73.5	177.2	-9.5	0	0	105.4	G510 M514	G510-Q512 PolarHBondContact O-N 3.09Å; Q512-M514 VanDerWaalsContact C-N 3.29Å; Q512-M514 PolarHBondContact O-N 3.24Å
513	L	44.2	Very low	42.8	Very low	162 Å²	162	128.6 Å²	128.6	85%	0.848	75%	0.748	S	S	*	*			trans	-45.3	112.7	155.7	-78.5	165.9	0	0	0	102.8	A511 G515	A511-L513 PolarHBondContact O-N 2.67Å; L513-G515 WeakPolarHBondContact O-CA 3.41Å; L513-G515 PolarHBondContact O-N 3.13Å
514	M	45.8	Very low	41.8	Very low	181 Å²	181	132.8 Å²	132.8	89%	0.892	76%	0.758	S	S	*	*			trans	-56.7	86.3	175	-82.2	-88	-77.7	0	0	105.1	Q512 R516	Q512-M514 VanDerWaalsContact C-N 3.29Å; Q512-M514 PolarHBondContact O-N 3.24Å; M514-R516 PolarHBondContact O-N 3.45Å
515	G	40.2	Very low	40.8	Very low	56 Å²	56	130.1 Å²	130.1	58%	0.577	75%	0.749	S	S	*	*			trans	-68.8	108.7	-168.3	0	0	0	0	0	103.8	L513 G517	L513-G515 WeakPolarHBondContact O-CA 3.41Å; L513-G515 PolarHBondContact O-N 3.13Å; G515-G517 VanDerWaalsContact C-N 3.33Å; G515-G517 PolarHBondContact O-N 3.26Å
516	R	41.3	Very low	39.9	Very low	245 Å²	245	128.6 Å²	128.6	93%	0.925	75%	0.751	S	S	*	*	S	Bend	trans	-47.9	110.1	156.8	-75.3	-178	170.2	-172.9	-2.7	105.6	M514 R518	M514-R516 PolarHBondContact O-N 3.45Å; R516-R518 PolarHBondContact O-N 3.5Å; R516-R518 VanDerWaalsContact O-N 3.1Å
517	G	36.5	Very low	38.9	Very low	71 Å²	71	129.7 Å²	129.7	73%	0.732	76%	0.756	S	S	*	*	S	Bend	trans	-16.1	97	-165	0	0	0	0	0	116.1	G515	G515-G517 VanDerWaalsContact C-N 3.33Å; G515-G517 PolarHBondContact O-N 3.26Å
518	R	37.6	Very low	37.9	Very low	217 Å²	217	127.8 Å²	127.8	82%	0.819	76%	0.756	S	S	*	*			trans	-112.6	79.8	150.3	-85.3	-175.6	174.3	166.4	-1.6	106.6	R516 I520	R516-R518 PolarHBondContact O-N 3.5Å; R516-R518 VanDerWaalsContact O-N 3.1Å; R518-I520 PolarHBondContact O-N 3.38Å
519	T	36.2	Very low	36.9	Very low	139 Å²	139	129.8 Å²	129.8	85%	0.853	77%	0.766	S	S	*	*			trans	-63.6	79.8	158.2	35.1	0	0	0	0	107.4	A521	T519-A521 PolarHBondContact O-N 3.24Å
520	I	38.4	Very low	36	Very low	142 Å²	142	130.2 Å²	130.2	73%	0.728	76%	0.764	S	S	*	*			trans	-72.1	109.8	158.5	-61.8	178.1	0	0	0	103.5	R518 G522	R518-I520 PolarHBondContact O-N 3.38Å; I520-G522 PolarHBondContact O-N 2.95Å
521	A	35.2	Very low	35	Very low	105 Å²	105	135.8 Å²	135.8	87%	0.868	78%	0.78	S	S	*	*			trans	-63.4	72.8	166.2	0	0	0	0	0	107.9	T519	T519-A521 PolarHBondContact O-N 3.24Å
522	G	31.7	Very low	34	Very low	39 Å²	39	135.4 Å²	135.4	40%	0.402	78%	0.782	S	S	.	*			trans	-87.1	107.6	170.4	0	0	0	0	0	106.1	I520 F524	I520-G522 PolarHBondContact O-N 2.95Å; G522-F524 WeakPolarHBondContact O-CD2 3.3Å; G522-F524 PolarHBondContact O-N 3.39Å
523	D	32	Very low	33.2	Very low	168 Å²	168	138 Å²	138	90%	0.898	79%	0.786	S	S	*	*			trans	-55.1	78	170.6	-160.6	14.9	0	0	0	109.6	G525	D523-G525 VanDerWaalsContact C-N 3.32Å; D523-G525 PolarHBondContact O-N 3.1Å; D523-G525 VanDerWaalsContact O-N 3.11Å
524	F	31.6	Very low	32.3	Very low	192 Å²	192	138.6 Å²	138.6	84%	0.842	79%	0.789	S	S	*	*			trans	-82.3	89.2	173.2	-86.1	-81.3	0	0	0	107.2	G522 T526	G522-F524 WeakPolarHBondContact O-CD2 3.3Å; G522-F524 PolarHBondContact O-N 3.39Å; F524-T526 PolarHBondContact O-N 3.22Å
525	G	28.5	Very low	31.4	Very low	66 Å²	66	133.6 Å²	133.6	68%	0.68	78%	0.784	S	S	*	*			trans	-46.9	110.6	164.9	0	0	0	0	0	109.5	D523	D523-G525 VanDerWaalsContact C-N 3.32Å; D523-G525 PolarHBondContact O-N 3.1Å; D523-G525 VanDerWaalsContact O-N 3.11Å
526	T	28.6	Very low	30.6	Very low	129 Å²	129	137.8 Å²	137.8	79%	0.791	79%	0.793	S	S	*	*			trans	-67.2	127.5	169	34.1	0	0	0	0	108.1	F524 S528	F524-T526 PolarHBondContact O-N 3.22Å; T526-S528 PolarHBondContact O-N 3.48Å
527	P	27.8	Very low	30	Very low	125 Å²	125	135.7 Å²	135.7	81%	0.812	79%	0.791	S	S	*	*			trans	-72.9	102.4	177.2	5.3	7.4	0	0	0	108.2	L529	P527-L529 PolarHBondContact O-N 3.3Å
528	S	27.6	Very low	29.5	Very low	113 Å²	113	139.7 Å²	139.7	79%	0.79	80%	0.796	S	S	*	*			trans	-79.5	105.5	171	-173.2	0	0	0	0	109.4	T526	T526-S528 PolarHBondContact O-N 3.48Å
529	L	26.4	Very low	29	Very low	157 Å²	157	132.9 Å²	132.9	82%	0.822	79%	0.793	S	S	*	*			trans	-88.4	110.1	161.6	-75.8	161.2	0	0	0	107.4	P527	P527-L529 PolarHBondContact O-N 3.3Å
530	T	30.7	Very low	28.6	Very low	131 Å²	131	135.5 Å²	135.5	80%	0.804	80%	0.795	S	S	*	*			trans	172.8	108.4	137.5	47.5	0	0	0	0	110.7
531	D	25.4	Very low	28.2	Very low	176 Å²	176	133.4 Å²	133.4	94%	0.941	80%	0.8	S	S	*	*			trans	4.8	136.2	139.1	-120.2	-19.1	0	0	0	120
532	G	24.9	Very low	27.8	Very low	58 Å²	58	135.3 Å²	135.3	60%	0.598	80%	0.795	S	S	*	*			trans	126.5	113.8	148.4	0	0	0	0	0	117.8
533	Y	26.5	Very low	27.7	Very low	225 Å²	225	142.4 Å²	142.4	88%	0.882	82%	0.818	S	S	*	*			trans	87.2	94.7	153.2	-67.5	-87.3	0	0	0	120.5
534	L	24.9	Very low	27.8	Very low	176 Å²	176	142.2 Å²	142.2	92%	0.921	81%	0.812	S	S	*	*				16.6	123.6	125.5	-72.7	157.8	0	0	0	118.2
535	G	27.2	Very low	27.7	Very low	76 Å²	76	140.3 Å²	140.3	78%	0.784	81%	0.81	S	S	*	*			trans	162.2	77.1	158.2	0	0	0	0	0	115.3	K537	G535-K537 PolarHBondContact O-N 2.95Å
536	N	23.6	Very low	27.7	Very low	144 Å²	144	143 Å²	143	77%	0.77	82%	0.817	S	S	*	*			trans	-58.7	116.4	172.2	-161.8	14.9	0	0	0	111.3
537	K	28.9	Very low	27.9	Very low	201 Å²	201	145.9 Å²	145.9	87%	0.874	82%	0.818	S	S	*	*			trans	-137.1	100.2	160.1	-83.2	-166.6	177	-179	0	109.7	G535 G539	G535-K537 PolarHBondContact O-N 2.95Å; K537-G539 PolarHBondContact O-N 2.9Å
538	N	25.1	Very low	28.3	Very low	155 Å²	155	149.2 Å²	149.2	83%	0.829	82%	0.82	S	S	*	*			trans	-58.5	114.1	160.7	-70.8	-24	0	0	0	108.7
539	G	28.1	Very low	28.8	Very low	74 Å²	74	149.4 Å²	149.4	76%	0.763	82%	0.819	S	S	*	*			trans	-128.8	106.8	174.1	0	0	0	0	0	109	K537	K537-G539 PolarHBondContact O-N 2.9Å
540	E	27.8	Very low	29.6	Very low	193 Å²	193	147 Å²	147	90%	0.902	82%	0.815	S	S	*	*			trans	-15.6	130.4	174.4	-68.6	167.1	164.4	0	0	118.5	N542	E540-N542 PolarHBondContact O-N 2.82Å
541	A	29.2	Very low	30.2	Very low	99 Å²	99	150 Å²	150	82%	0.818	82%	0.82	S	S	*	*			trans	-60.7	121.8	168.6	0	0	0	0	0	110.8
542	N	28	Very low	31.1	Very low	145 Å²	145	147.4 Å²	147.4	78%	0.775	81%	0.811	S	S	*	*			trans	-100.2	100.3	167.1	-142.2	-8.2	0	0	0	107.6	E540 Q544	E540-N542 PolarHBondContact O-N 2.82Å; N542-Q544 VanDerWaalsContact C-N 3.27Å; N542-Q544 PolarHBondContact O-N 3.38Å
543	E	29.2	Very low	32.2	Very low	187 Å²	187	154 Å²	154	87%	0.874	82%	0.823	S	S	*	*			trans	-65.2	82.5	173.9	-74.6	-177	146.1	0	0	110.1	N545	E543-N545 PolarHBondContact O-N 3.36Å
544	Q	33.3	Very low	33.2	Very low	165 Å²	165	154.2 Å²	154.2	77%	0.771	82%	0.822	S	S	*	*			trans	-82.7	98.3	164.1	-79.6	-173.4	1.6	0	0	109.5	N542 C546	N542-Q544 VanDerWaalsContact C-N 3.27Å; N542-Q544 PolarHBondContact O-N 3.38Å; Q544-C546 VanDerWaalsContact C-N 3.32Å; Q544-C546 PolarHBondContact O-N 2.79Å
545	N	29.3	Very low	34.6	Very low	151 Å²	151	153.8 Å²	153.8	81%	0.807	82%	0.82	S	S	*	*			trans	-33.5	82.3	163.7	-165	-4	0	0	0	113.2	E543 K547	E543-N545 PolarHBondContact O-N 3.36Å; N545-K547 PolarHBondContact O-N 2.72Å
546	C	28.7	Very low	36.5	Very low	122 Å²	122	157.5 Å²	157.5	82%	0.824	82%	0.822	S	S	*	*			trans	-78.8	102.8	170.3	-116.7	0	0	0	0	107.9	Q544 K548	Q544-C546 VanDerWaalsContact C-N 3.32Å; Q544-C546 PolarHBondContact O-N 2.79Å; C546-K548 PolarHBondContact O-N 2.71Å; C546-K548 VanDerWaalsContact O-N 3.14Å
547	K	33.9	Very low	38.8	Very low	190 Å²	190	157.6 Å²	157.6	83%	0.826	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-48.4	119.5	172.1	-72.2	179.4	175.2	178.5	0	109.3	N545	N545-K547 PolarHBondContact O-N 2.72Å
548	K	34.7	Very low	40.7	Very low	196 Å²	196	153.9 Å²	153.9	85%	0.852	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-49.4	124.1	173.8	-73.5	-179.4	175.8	179.4	0	109	C546 S550	C546-K548 PolarHBondContact O-N 2.71Å; C546-K548 VanDerWaalsContact O-N 3.14Å; K548-S550 PolarHBondContact O-N 3.19Å
549	P	39.3	Very low	43.2	Very low	116 Å²	116	155.2 Å²	155.2	75%	0.753	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-58.7	126.5	173.7	-16.3	28.2	0	0	0	108	E551	P549-E551 PolarHBondContact O-N 2.83Å
550	S	42	Very low	45.4	Very low	107 Å²	107	157.5 Å²	157.5	75%	0.748	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-49.6	136.9	169.3	43.6	0	0	0	0	109.6	K548 T552	K548-S550 PolarHBondContact O-N 3.19Å; S550-T552 VanDerWaalsContact C-N 3.35Å; S550-T552 PolarHBondContact O-N 2.58Å; S550-T552 PolarHBondContact O-OG1 2.84Å
551	E	44.2	Very low	47.7	Very low	195 Å²	195	152.4 Å²	152.4	91%	0.911	80%	0.802	S	S	*	*			trans	-33.2	94.9	176.7	-71.9	173.4	147.8	0	0	111	P549 K553	P549-E551 PolarHBondContact O-N 2.83Å; E551-K553 PolarHBondContact O-N 3.24Å
552	T	45.2	Very low	50.1	Low	121 Å²	121	154.5 Å²	154.5	74%	0.742	81%	0.805	S	S	*	*			trans	-70.7	106	173.5	-35.2	0	0	0	0	103.5	S550 R554	S550-T552 VanDerWaalsContact C-N 3.35Å; S550-T552 PolarHBondContact O-N 2.58Å; S550-T552 PolarHBondContact O-OG1 2.84Å; T552-R554 PolarHBondContact O-N 3.14Å
553	K	46.7	Very low	52.4	Low	196 Å²	196	154.8 Å²	154.8	85%	0.852	80%	0.802	S	S	*	*			trans	-37.4	110.5	170.6	-86.4	-177.4	171.8	-177	0	106.8	E551 L555	E551-K553 PolarHBondContact O-N 3.24Å; K553-L555 PolarHBondContact O-N 2.73Å
554	R	47.8	Very low	54.1	Low	230 Å²	230	150.9 Å²	150.9	87%	0.868	79%	0.792	S	S	*	*			trans	-52.9	113.9	170.5	-95.2	-177.4	176.3	-179	-0.5	104.4	T552 D556	T552-R554 PolarHBondContact O-N 3.14Å; R554-D556 PolarHBondContact O-N 3.22Å
555	L	54.2	Low	55.9	Low	166 Å²	166	148.8 Å²	148.8	87%	0.869	79%	0.791	S	S	*	*			trans	-58.6	109.4	168.9	-82.4	151.8	0	0	0	104.8	K553 L557	K553-L555 PolarHBondContact O-N 2.73Å; L555-L557 PolarHBondContact O-N 2.93Å
556	D	67.9	Low	57.5	Low	154 Å²	154	148.5 Å²	148.5	82%	0.824	78%	0.779	S	S	*	*			trans	-54.9	110.1	177	-68.6	-42.9	0	0	0	107.1	R554	R554-D556 PolarHBondContact O-N 3.22Å
557	L	70.3	Confident	59	Low	147 Å²	147	145.3 Å²	145.3	77%	0.77	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-63.6	133.7	173.2	-83.8	150.7	0	0	0	106.5	L555 E559	L555-L557 PolarHBondContact O-N 2.93Å; L557-E559 PolarHBondContact O-N 3Å
558	P	70.4	Confident	60.3	Low	122 Å²	122	141.5 Å²	141.5	79%	0.792	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-56.7	120.9	175.1	21.4	-30.1	0	0	0	108.7
559	E	76	Confident	61.5	Low	183 Å²	183	135.1 Å²	135.1	86%	0.855	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-66.5	140	175	-68	-171.3	164.3	0	0	109.3	L557 P561	L557-E559 PolarHBondContact O-N 3Å; E559-P561 WeakPolarHBondContact O-CD 3.33Å
560	T	76.3	Confident	62.4	Low	123 Å²	123	131.8 Å²	131.8	76%	0.755	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-67.8	127.2	173.3	-58.9	0	0	0	0	107.6	T562	T560-T562 PolarHBondContact O-N 3.12Å; T560-T562 VanDerWaalsContact O-N 3.11Å
561	P	75.9	Confident	63	Low	85 Å²	85	131.1 Å²	131.1	55%	0.552	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-55.3	122.4	176.7	-23.4	32.2	0	0	0	110.4	E559 Q563 T565	E559-P561 WeakPolarHBondContact O-CD 3.33Å; P561-Q563 VanDerWaalsContact C-N 3.27Å; P561-T565 HydrophobicContact CB-CG2 3.37Å; P561-T565 HydrophobicContact CG-CG2 3.45Å; P561-T565 VanDerWaalsContact CG-CG2 3.45Å
562	T	78.8	Confident	63.4	Low	143 Å²	143	127 Å²	127	88%	0.877	65%	0.654	S	S	*	*	S	Bend	trans	-82.3	-12.6	176.7	52.5	0	0	0	0	112.2	T560	T560-T562 PolarHBondContact O-N 3.12Å; T560-T562 VanDerWaalsContact O-N 3.11Å
563	Q	75.3	Confident	63.9	Low	152 Å²	152	126.9 Å²	126.9	71%	0.71	65%	0.649	S	S	*	*	S	Bend	trans	-120.5	151.8	174.7	-64.2	-172.6	-2.7	0	0	110.1	P561 T565	P561-Q563 VanDerWaalsContact C-N 3.27Å; Q563-T565 PolarHBondContact O-N 2.87Å
564	P	65.6	Low	64.2	Low	104 Å²	104	123.2 Å²	123.2	68%	0.675	64%	0.639	S	S	*	*			trans	-53.8	115.3	173.2	-23.7	33.5	0	0	0	110.6	Y566	P564-Y566 PolarHBondContact O-N 2.76Å
565	T	71.3	Confident	64.1	Low	121 Å²	121	120.3 Å²	120.3	74%	0.742	64%	0.635	S	S	*	*	S	Bend	trans	-73.9	-17.9	174.8	53.3	0	0	0	0	112.2	P561 Q563	P561-T565 HydrophobicContact CB-CG2 3.37Å; P561-T565 HydrophobicContact CG-CG2 3.45Å; P561-T565 VanDerWaalsContact CG-CG2 3.45Å; Q563-T565 PolarHBondContact O-N 2.87Å
566	Y	63.9	Low	63.6	Low	145 Å²	145	118 Å²	118	57%	0.569	62%	0.623	S	S	*	*	S	Bend	trans	-137.4	119.7	177.3	-177	-98.7	0	0	0	108.5	P564 H568	P564-Y566 PolarHBondContact O-N 2.76Å; Y566-H568 AromaticContact CE1-CE1 3.88Å; Y566-H568 AromaticContact CE1-CG 3.97Å; Y566-H568 AromaticContact CE1-ND1 3.57Å; Y566-H568 HydrophobicContact CE1-CB 4.48Å
567	V	59.2	Low	62.2	Low	56 Å²	56	117 Å²	117	34%	0.339	62%	0.616	S	S	.	*			trans	-93.9	119.6	170.1	-175.4	0	0	0	0	106.6	D571 R572	V567-D571 VanDerWaalsContact CG1-C 3.42Å; V567-D571 HydrophobicContact CG1-CB 3.69Å; V567-D571 VanDerWaalsContact CG1-O 3.27Å; V567-D571 WeakPolarHBondContact CG1-O 3.35Å; V567-R572 HydrophobicContact CG1-CG 3.81Å; V567-R572 HydrophobicContact CB-CG 4.26Å
568	H	61.9	Low	60.6	Low	110 Å²	110	118 Å²	118	51%	0.509	61%	0.614	S	S	.	*			trans	-57.6	152.8	174.9	-74	-80.4	0	0	0	109.7	Y566 D570 D571	Y566-H568 AromaticContact CE1-CE1 3.88Å; Y566-H568 AromaticContact CE1-CG 3.97Å; Y566-H568 AromaticContact CE1-ND1 3.57Å; Y566-H568 HydrophobicContact CE1-CB 4.48Å; H568-D570 PolarHBondContact O-N 3.11Å; H568-D571 PolarHBondContact O-N 3.13Å
569	E	59.7	Low	59	Low	62 Å²	62	116.1 Å²	116.1	29%	0.29	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-52.7	-30.4	177.7	-61.2	-160.7	152.9	0	0	112.2	R376 D571	R376-E569 IonicContact CZ-OE2 3.54Å; R376-E569 IonicContact NH1-OE2 3.06Å; R376-E569 PolarHBondContact NH1-OE2 2.99Å; E569-D571 VanDerWaalsContact C-N 3.31Å; E569-D571 PolarHBondContact O-N 3.44Å
570	D	56.9	Low	57.1	Low	46 Å²	46	113.5 Å²	113.5	25%	0.246	60%	0.601	C	S	.	*	G	3₁₀ helix	trans	-67.1	-23.6	178.7	-60.3	3.8	0	0	0	114.2	S40 F485 R487 H568	S40-D570 WeakPolarHBondContact CB-OD1 3.4Å; S40-D570 PolarHBondContact OG-OD1 3.22Å; F485-D570 HydrophobicContact CE1-CB 4.26Å; F485-D570 HydrophobicContact CZ-CB 3.81Å; F485-D570 WeakPolarHBondContact CZ-OD1 3.42Å; R487-D570 IonicContact CZ-OD2 3.72Å; R487-D570 IonicContact NE-OD2 2.67Å; R487-D570 IonicContact NH2-OD2 2.75Å; H568-D570 PolarHBondContact O-N 3.11Å
571	D	55.8	Low	54.9	Low	93 Å²	93	112.1 Å²	112.1	50%	0.497	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-115.8	9.1	-166.5	-56	-38.7	0	0	0	113.2	V567 H568 E569 D573	V567-D571 VanDerWaalsContact CG1-C 3.42Å; V567-D571 HydrophobicContact CG1-CB 3.69Å; V567-D571 VanDerWaalsContact CG1-O 3.27Å; V567-D571 WeakPolarHBondContact CG1-O 3.35Å; H568-D571 PolarHBondContact O-N 3.13Å; E569-D571 VanDerWaalsContact C-N 3.31Å; E569-D571 PolarHBondContact O-N 3.44Å; D571-D573 PolarHBondContact O-N 3.12Å
572	R	53.3	Low	52.7	Low	107 Å²	107	115.5 Å²	115.5	40%	0.404	61%	0.608	S	S	.	*			trans	-76	96.7	179.5	-87.8	-168.3	-92.1	-160.2	-9.7	111.5	K45 V567	K45-R572 PolarHBondContact NZ-O 3.25Å; V567-R572 HydrophobicContact CG1-CG 3.81Å; V567-R572 HydrophobicContact CB-CG 4.26Å
573	D	54.2	Low	50.4	Low	120 Å²	120	117.6 Å²	117.6	64%	0.642	61%	0.609	S	S	*	*			trans	-72.7	130	165.1	-71.3	-31.3	0	0	0	111	D571 E575 L576	D571-D573 PolarHBondContact O-N 3.12Å; D573-E575 PolarHBondContact O-N 3.14Å; D573-L576 PolarHBondContact O-N 2.86Å
574	D	53.6	Low	48.1	Very low	118 Å²	118	114.2 Å²	114.2	63%	0.631	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-66.3	-15.7	-180	-73.8	-33.8	0	0	0	113.2	L576 I577	D574-L576 VanDerWaalsContact C-N 3.31Å; D574-L576 PolarHBondContact O-N 3.3Å; D574-I577 PolarHBondContact O-N 3.36Å
575	E	46.5	Very low	46.4	Very low	169 Å²	169	115.2 Å²	115.2	79%	0.79	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-69.1	-26.1	-179.2	-71.9	-158	152	0	0	113.7	D573 I577 K578	D573-E575 PolarHBondContact O-N 3.14Å; E575-I577 PolarHBondContact O-N 2.59Å; E575-I577 VanDerWaalsContact O-N 3.17Å; E575-K578 PolarHBondContact O-N 2.79Å
576	L	42.5	Very low	44.2	Very low	117 Å²	117	115 Å²	115	61%	0.613	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-66.9	-16.1	178.2	-94.8	150.7	0	0	0	113.5	D573 D574 S579	D573-L576 PolarHBondContact O-N 2.86Å; D574-L576 VanDerWaalsContact C-N 3.31Å; D574-L576 PolarHBondContact O-N 3.3Å; L576-S579 PolarHBondContact O-OG 3Å
577	I	38.5	Very low	42.7	Very low	133 Å²	133	115.9 Å²	115.9	68%	0.682	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-80.4	-21.2	178	-62.5	175.3	0	0	0	111.7	D574 E575	D574-I577 PolarHBondContact O-N 3.36Å; E575-I577 PolarHBondContact O-N 2.59Å; E575-I577 VanDerWaalsContact O-N 3.17Å
578	K	37.7	Very low	41.2	Very low	168 Å²	168	121.2 Å²	121.2	73%	0.73	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-27.8	-179.8	-76.1	-175.9	177.9	175.6	0	113.7	E575 V580 S581	E575-K578 PolarHBondContact O-N 2.79Å; K578-V580 PolarHBondContact O-N 3.26Å; K578-S581 PolarHBondContact O-OG 3.24Å; K578-S581 VanDerWaalsContact O-OG 3.14Å
579	S	36.4	Very low	39.8	Very low	83 Å²	83	120.9 Å²	120.9	58%	0.58	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-77	-16.6	-172.8	56.3	0	0	0	0	115	L576	L576-S579 PolarHBondContact O-OG 3Å
580	V	35.9	Very low	38.4	Very low	129 Å²	129	123.1 Å²	123.1	78%	0.782	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-90.4	1.1	-178.1	-169	0	0	0	0	112.9	K578	K578-V580 PolarHBondContact O-N 3.26Å
581	S	30.6	Very low	37.3	Very low	94 Å²	94	130 Å²	130	66%	0.657	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-101.1	11.9	-176.6	61.4	0	0	0	0	115.6	K578	K578-S581 PolarHBondContact O-OG 3.24Å; K578-S581 VanDerWaalsContact O-OG 3.14Å
582	L	29.9	Very low	36.2	Very low	155 Å²	155	132.8 Å²	132.8	81%	0.812	73%	0.729	S	S	*	*			trans	-125.1	52.4	-179.1	-73.3	164.5	0	0	0	112.2
583	E	30.7	Very low	34.9	Very low	188 Å²	188	135.3 Å²	135.3	88%	0.879	75%	0.75	S	S	*	*			trans	-116.2	98.8	153.7	-81.7	-174.6	166.7	0	0	107.6	T585	E583-T585 PolarHBondContact O-N 3.21Å
584	G	26.3	Very low	33.9	Very low	80 Å²	80	141 Å²	141	83%	0.825	78%	0.781	S	S	*	*			trans	-68.5	120.4	177.1	0	0	0	0	0	110.6
585	T	28.8	Very low	32.9	Very low	126 Å²	126	142.2 Å²	142.2	77%	0.773	79%	0.789	S	S	*	*			trans	-110.3	95	153.7	48.4	0	0	0	0	107.2	E583 E587	E583-T585 PolarHBondContact O-N 3.21Å; T585-E587 PolarHBondContact O-N 2.87Å
586	S	26.2	Very low	32.2	Very low	116 Å²	116	140.8 Å²	140.8	81%	0.811	79%	0.789	S	S	*	*			trans	-68	95.6	161.4	51.4	0	0	0	0	108.1
587	E	31.4	Very low	31.6	Very low	164 Å²	164	142.1 Å²	142.1	77%	0.766	80%	0.799	S	S	*	*			trans	-111.6	95.5	163.7	-77.2	-171.1	166	0	0	108.3	T585 T589	T585-E587 PolarHBondContact O-N 2.87Å; E587-T589 PolarHBondContact O-N 3.32Å; E587-T589 VanDerWaalsContact O-N 3.08Å
588	D	28.3	Very low	31.2	Very low	167 Å²	167	142.6 Å²	142.6	89%	0.893	81%	0.805	S	S	*	*			trans	-54.6	105.1	162	-81.2	-39.3	0	0	0	108.8
589	T	33.2	Very low	30.8	Very low	104 Å²	104	141.1 Å²	141.1	64%	0.638	81%	0.81	S	S	*	*			trans	-118.6	91.4	164.6	45.3	0	0	0	0	108.1	E587 F591	E587-T589 PolarHBondContact O-N 3.32Å; E587-T589 VanDerWaalsContact O-N 3.08Å; T589-F591 PolarHBondContact O-N 3.42Å; T589-F591 VanDerWaalsContact O-N 3.09Å
590	S	30.6	Very low	30.4	Very low	108 Å²	108	144.9 Å²	144.9	76%	0.755	83%	0.825	S	S	*	*			trans	-60.2	104.9	162.4	41.1	0	0	0	0	108.6	D592	S590-D592 PolarHBondContact O-N 3.02Å
591	F	32.2	Very low	30.1	Very low	191 Å²	191	146.1 Å²	146.1	84%	0.838	83%	0.828	S	S	*	*			trans	-78.2	101.3	163.8	-97.6	-92.8	0	0	0	108	T589 N593	T589-F591 PolarHBondContact O-N 3.42Å; T589-F591 VanDerWaalsContact O-N 3.09Å; F591-N593 PolarHBondContact O-N 3.26Å
592	D	32.7	Very low	30	Very low	151 Å²	151	150.1 Å²	150.1	81%	0.807	84%	0.842	S	S	*	*			trans	-60.1	127.7	169	-88.4	-33.7	0	0	0	110.4	S590 N594	S590-D592 PolarHBondContact O-N 3.02Å; D592-N594 PolarHBondContact O-N 3.29Å
593	N	27.4	Very low	30	Very low	160 Å²	160	149.7 Å²	149.7	86%	0.856	84%	0.844	S	S	*	*			trans	-69.7	118.7	166.9	-77.7	-50.1	0	0	0	109.4	F591	F591-N593 PolarHBondContact O-N 3.26Å
594	N	32.8	Very low	30	Very low	241 Å²	241	146.2 Å²	146.2	100%	1.289	84%	0.841	S	S	*	*			trans	-154.2	0	149.6	-117.3	-9.3	0	0	0	110.6	D592	D592-N594 PolarHBondContact O-N 3.29Å

Retrieved 594 of 594 residues in 473.4 ms (Link to these results)

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