A0A077ZGD0_TRITR Loading...

Digestive organ expansion factor

AlphaFold DB , UniProt , Accession A0A077ZGD0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 619 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	39.2	Very low	38.7	Very low	253 Å²	253	174.2 Å²	174.2	100%	1.246	85%	0.854	S	S	*	*				0	118.6	0	-39.4	179.5	-162.7	0	0	105.4
2	G	39.1	Very low	38.6	Very low	75 Å²	75	176.4 Å²	176.4	77%	0.773	85%	0.846	S	S	*	*			cis	121	139.1	18.5	0	0	0	0	0	108.5
3	E	39.8	Very low	38.9	Very low	170 Å²	170	172.1 Å²	172.1	79%	0.794	84%	0.837	S	S	*	*			cis	-163.4	160.2	-8.7	-132.4	-166	150	0	0	111.4
4	N	38.5	Very low	39.1	Very low	131 Å²	131	167.4 Å²	167.4	70%	0.701	82%	0.817	S	S	*	*			trans	48	132.1	152.5	-67.1	-39.7	0	0	0	125
5	R	33.6	Very low	39.2	Very low	229 Å²	229	163.1 Å²	163.1	86%	0.864	81%	0.811	S	S	*	*			trans	-71.7	161.8	159.1	-56.3	158.3	161.8	167	-10	112.3
6	K	40.4	Very low	39.4	Very low	182 Å²	182	159.3 Å²	159.3	79%	0.791	81%	0.805	S	S	*	*				171.1	138.3	121.9	-95.7	156.2	-174.4	168.8	0	117
7	R	38	Very low	39.2	Very low	243 Å²	243	160.8 Å²	160.8	92%	0.917	81%	0.808	S	S	*	*			trans	65.5	153.3	149.9	-63.7	170.2	171.2	-178	-5.4	117.5
8	G	38.9	Very low	39.2	Very low	73 Å²	73	157.4 Å²	157.4	75%	0.753	80%	0.799	S	S	*	*			cis	-136.4	-150.4	-5.3	0	0	0	0	0	110.8
9	K	38.6	Very low	39.2	Very low	210 Å²	210	157.6 Å²	157.6	91%	0.913	80%	0.799	S	S	*	*			cis	-152.1	-171.4	-0.9	-112.2	-166.8	-177.2	-176.4	0	109.8
10	R	36.3	Very low	39.1	Very low	234 Å²	234	156.4 Å²	156.4	88%	0.883	79%	0.79	S	S	*	*			trans	-149.7	-172.1	171.7	-101.8	-172.1	-175.1	-171.7	2.1	107.1
11	P	43.3	Very low	39.1	Very low	116 Å²	116	156.1 Å²	156.1	75%	0.753	79%	0.786	S	S	*	*			cis	-137.2	-145.5	18.8	38.9	-12.7	0	0	0	112.1
12	R	37	Very low	39.1	Very low	201 Å²	201	152.5 Å²	152.5	76%	0.758	77%	0.766	S	S	*	*			cis	-164.4	-178.8	-6.1	-151.2	-161.4	138.5	140.8	0.2	109.7	D14	R12-D14 IonicContact CZ-OD2 3.62Å; R12-D14 IonicContact NE-OD2 3.79Å; R12-D14 PolarHBondContact NE-OD2 2.8Å; R12-D14 IonicContact NH2-OD2 3.63Å; R12-D14 PolarHBondContact NH2-OD2 3.48Å
13	V	43.3	Very low	39.1	Very low	120 Å²	120	153.1 Å²	153.1	73%	0.727	76%	0.764	S	S	*	*			trans	87.1	129.3	153.6	173.3	0	0	0	0	117.5
14	D	41	Very low	38.8	Very low	106 Å²	106	152.1 Å²	152.1	57%	0.567	76%	0.764	S	S	*	*			cis	-175	-171.9	-49.1	-74.9	-18.3	0	0	0	104.3	R12	R12-D14 IonicContact CZ-OD2 3.62Å; R12-D14 IonicContact NE-OD2 3.79Å; R12-D14 PolarHBondContact NE-OD2 2.8Å; R12-D14 IonicContact NH2-OD2 3.63Å; R12-D14 PolarHBondContact NH2-OD2 3.48Å
15	S	40.5	Very low	38.7	Very low	104 Å²	104	154.6 Å²	154.6	73%	0.727	77%	0.772	S	S	*	*			cis	-161.9	170.1	1	54.4	0	0	0	0	110.4
16	S	43.1	Very low	38.7	Very low	101 Å²	101	147.5 Å²	147.5	71%	0.706	77%	0.77	S	S	*	*			trans	58.2	128.9	157.6	57.6	0	0	0	0	121.7
17	E	35.2	Very low	38.1	Very low	185 Å²	185	145.1 Å²	145.1	86%	0.864	78%	0.776	S	S	*	*			cis	108.1	157.4	22.1	-84.9	-175.3	-169.2	0	0	114.2
18	P	40	Very low	37.9	Very low	100 Å²	100	138.4 Å²	138.4	65%	0.649	77%	0.766	S	S	*	*			cis	-136.5	168.9	-9.1	36.7	-18.5	0	0	0	117.3
19	M	38.6	Very low	37.4	Very low	162 Å²	162	142.5 Å²	142.5	80%	0.798	77%	0.771	S	S	*	*			trans	61.6	154	152.1	-70.3	169.7	70	0	0	119.3
20	Q	38.4	Very low	37.2	Very low	132 Å²	132	138.2 Å²	138.2	62%	0.617	77%	0.767	S	S	*	*			cis	-154.5	150.7	17.7	-155.1	171	-21.3	0	0	111.9
21	E	39.3	Very low	36.8	Very low	152 Å²	152	135.4 Å²	135.4	71%	0.71	77%	0.769	S	S	*	*			trans	41.1	141	157.6	-73.9	142.7	-136.7	0	0	121.2
22	E	39.1	Very low	36.3	Very low	177 Å²	177	133.1 Å²	133.1	83%	0.827	77%	0.767	S	S	*	*			cis	-159	163.2	4.8	-138.7	176.3	-157.3	0	0	110.5
23	A	37.7	Very low	35.9	Very low	87 Å²	87	128.1 Å²	128.1	72%	0.719	77%	0.769	S	S	*	*			trans	26.8	136.7	158.2	0	0	0	0	0	122.5
24	D	35	Very low	35.3	Very low	149 Å²	149	129.5 Å²	129.5	80%	0.797	77%	0.772	S	S	*	*			cis	-159.8	-179.2	-2.2	-140	-13.5	0	0	0	112.9
25	E	36	Very low	34.8	Very low	184 Å²	184	130 Å²	130	86%	0.86	78%	0.779	S	S	*	*			trans	-32.2	145.8	178.4	-56.3	-178.3	158.9	0	0	118
26	G	32.4	Very low	34.4	Very low	80 Å²	80	130.1 Å²	130.1	83%	0.825	78%	0.775	S	S	*	*			cis	168.5	115.9	-1.5	0	0	0	0	0	111.2
27	S	29.2	Very low	33.7	Very low	131 Å²	131	136.2 Å²	136.2	92%	0.916	78%	0.783	S	S	*	*			trans	-103.1	126.9	-175.7	-178	0	0	0	0	112.4
28	S	33.5	Very low	33.6	Very low	102 Å²	102	133.2 Å²	133.2	71%	0.713	78%	0.777	S	S	*	*			trans	-149.5	115.4	169	69.3	0	0	0	0	113.9
29	N	29.1	Very low	34.1	Very low	160 Å²	160	138.2 Å²	138.2	86%	0.856	79%	0.788	S	S	*	*			trans	28.5	120.1	146.4	-54.9	-13.5	0	0	0	119.9
30	S	33	Very low	35.1	Very low	119 Å²	119	135.4 Å²	135.4	83%	0.832	78%	0.78	S	S	*	*				-164.3	138.3	116.1	38.1	0	0	0	0	112.6	G32	S30-G32 PolarHBondContact O-N 2.83Å
31	D	28.4	Very low	37	Very low	175 Å²	175	134.7 Å²	134.7	94%	0.936	78%	0.775	S	S	*	*			trans	-68.6	121.7	163.8	-65.3	-75.5	0	0	0	109.8
32	G	31.8	Very low	39.2	Very low	68 Å²	68	129.1 Å²	129.1	70%	0.701	75%	0.75	S	S	*	*			trans	-150.9	100.2	-179.5	0	0	0	0	0	111.5	S30 D34	S30-G32 PolarHBondContact O-N 2.83Å; G32-D34 PolarHBondContact O-N 3.36Å; G32-D34 VanDerWaalsContact O-N 3.15Å
33	A	29.7	Very low	41.6	Very low	97 Å²	97	122.1 Å²	122.1	80%	0.802	72%	0.72	S	S	*	*			trans	-72.4	106.5	-178.2	0	0	0	0	0	111.6	V35	A33-V35 PolarHBondContact O-N 3.14Å
34	D	29.6	Very low	44.2	Very low	148 Å²	148	118.1 Å²	118.1	79%	0.791	69%	0.686	S	S	*	*			trans	-79	89.7	-170.4	-147.3	-12.4	0	0	0	112.8	G32 V36	G32-D34 PolarHBondContact O-N 3.36Å; G32-D34 VanDerWaalsContact O-N 3.15Å; D34-V36 PolarHBondContact O-N 2.76Å
35	V	31.8	Very low	46.8	Very low	116 Å²	116	114.4 Å²	114.4	70%	0.703	67%	0.665	S	S	*	*			trans	-91.5	81	176.9	-175.3	0	0	0	0	109.9	A33 R37	A33-V35 PolarHBondContact O-N 3.14Å; V35-R37 PolarHBondContact O-N 2.98Å
36	V	31.9	Very low	49.3	Very low	107 Å²	107	107.2 Å²	107.2	65%	0.648	64%	0.635	S	S	*	*			trans	-62.2	96	-179.8	-176.9	0	0	0	0	111.6	D34 T38	D34-V36 PolarHBondContact O-N 2.76Å; V36-T38 PolarHBondContact O-N 3.22Å
37	R	27.4	Very low	52.1	Low	230 Å²	230	103.7 Å²	103.7	87%	0.868	60%	0.597	S	S	*	*			trans	-76.9	84.4	176.4	-74	180	171.5	173.6	-1.6	111.7	V35 K39	V35-R37 PolarHBondContact O-N 2.98Å; R37-K39 PolarHBondContact O-N 2.81Å
38	T	33.2	Very low	55.1	Low	122 Å²	122	97.5 Å²	97.5	75%	0.748	55%	0.554	S	S	*	*			trans	-57.7	130.4	170.4	38	0	0	0	0	111.8	V36 V40	V36-T38 PolarHBondContact O-N 3.22Å; T38-V40 PolarHBondContact O-N 3.04Å
39	K	50.8	Low	57.8	Low	204 Å²	204	94.4 Å²	94.4	89%	0.887	53%	0.527	S	S	*	.			trans	-74.6	111.8	-179.9	-68.8	173.5	-177.2	166.6	0	109.8	R37 K41	R37-K39 PolarHBondContact O-N 2.81Å; K39-K41 PolarHBondContact O-N 2.78Å
40	V	60.8	Low	60.4	Low	103 Å²	103	89.5 Å²	89.5	62%	0.624	50%	0.501	S	S	*	.			trans	-62.4	106.8	-179.4	-170	0	0	0	0	111.1	T38 Y100	T38-V40 PolarHBondContact O-N 3.04Å; V40-Y100 WeakPolarHBondContact CG1-OH 3.38Å; V40-Y100 PolarHBondContact O-OH 3.39Å
41	K	76.5	Confident	62.6	Low	117 Å²	117	87.5 Å²	87.5	51%	0.509	49%	0.486	S	S	.	.			trans	-54.9	156.7	174	-72.2	-173.5	-179.1	178.9	0	111.1	K39 D50 Y100	K39-K41 PolarHBondContact O-N 2.78Å; K41-D50 IonicContact NZ-OD1 3.41Å; K41-D50 PolarHBondContact NZ-OD1 2.93Å; K41-D50 IonicContact NZ-OD2 2.92Å; K41-D50 PolarHBondContact NZ-OD2 2.99Å; K41-Y100 PolarHBondContact O-OH 3.43Å
42	D	86.7	Confident	65.4	Low	36 Å²	36	82.1 Å²	82.1	19%	0.193	46%	0.455	C	S	.	.			trans	-70.6	125.4	163.9	-179.5	-27.6	0	0	0	108.3	F44 M45 S46 Y100 K171	D42-F44 PolarHBondContact O-N 3.11Å; D42-F44 WeakPolarHBondContact OD1-CB 3.42Å; D42-F44 PolarHBondContact OD1-N 3.14Å; D42-M45 HydrophobicContact CB-CG 4.1Å; D42-M45 WeakPolarHBondContact O-CB 3.35Å; D42-M45 PolarHBondContact O-N 3.23Å; D42-S46 PolarHBondContact O-N 3.09Å; D42-Y100 HydrophobicContact CB-CD1 3.47Å; D42-Y100 VanDerWaalsContact CB-CD1 3.47Å; D42-Y100 HydrophobicContact CB-CE1 3.84Å; D42-Y100 HydrophobicContact CB-CG 4.06Å; D42-K171 VanDerWaalsContact CG-NZ 3.3Å; D42-K171 IonicContact OD1-NZ 3.21Å; D42-K171 PolarHBondContact OD1-NZ 3.11Å; D42-K171 VanDerWaalsContact OD2-CE 3.31Å; D42-K171 WeakPolarHBondContact OD2-CE 3.41Å; D42-K171 IonicContact OD2-NZ 3.48Å; D42-K171 PolarHBondContact OD2-NZ 2.84Å; D42-K171 VanDerWaalsContact OD2-NZ 3.1Å
43	P	89.3	Confident	68.1	Low	30 Å²	30	86.1 Å²	86.1	20%	0.195	46%	0.455	C	S	.	.	H	α-helix	trans	-53.6	-29.3	-179.2	-28.9	35.3	0	0	0	114.4	M45 S46 H47 Y100 C139	P43-M45 VanDerWaalsContact C-N 3.32Å; P43-M45 PolarHBondContact O-N 2.96Å; P43-S46 WeakPolarHBondContact CA-OG 3.06Å; P43-S46 PolarHBondContact O-OG 3.2Å; P43-S46 VanDerWaalsContact O-OG 3.14Å; P43-H47 WeakPolarHBondContact O-CB 3.35Å; P43-H47 PolarHBondContact O-N 2.85Å; P43-Y100 HydrophobicContact CG-CD2 4.18Å; P43-Y100 HydrophobicContact CG-CE2 4.36Å; P43-C139 WeakPolarHBondContact CB-O 3.32Å
44	F	92	Very high	70.9	Confident	2 Å²	2	83.8 Å²	83.8	1%	0.009	44%	0.436	C	S	.	.	H	α-helix	trans	-65.7	-34.2	174.2	175.9	-89.4	0	0	0	112.9	D42 F48 Y49 Y141 H168 K171 I175	D42-F44 PolarHBondContact O-N 3.11Å; D42-F44 WeakPolarHBondContact OD1-CB 3.42Å; D42-F44 PolarHBondContact OD1-N 3.14Å; F44-F48 AromaticContact CD2-CD2 3.54Å; F44-F48 HydrophobicContact CD2-CD2 3.54Å; F44-F48 AromaticContact CD2-CE2 3.65Å; F44-F48 HydrophobicContact CD2-CE2 3.65Å; F44-F48 AromaticContact CE2-CD2 3.56Å; F44-F48 HydrophobicContact CE2-CD2 3.56Å; F44-F48 AromaticContact CE2-CE2 3.74Å; F44-F48 HydrophobicContact CE2-CE2 3.74Å; F44-F48 HydrophobicContact CG-CD2 4.13Å; F44-F48 HydrophobicContact CZ-CD2 4.16Å; F44-F48 WeakPolarHBondContact O-CD2 3.45Å; F44-F48 PolarHBondContact O-N 3.18Å; F44-Y49 AromaticContact CE1-CE2 3.9Å; F44-Y49 HydrophobicContact CE1-CE2 3.9Å; F44-Y49 HydrophobicContact CZ-CE2 4.46Å; F44-Y141 HydrophobicContact CB-CD2 4.42Å; F44-Y141 HydrophobicContact CB-CE2 3.77Å; F44-Y141 AromaticContact CD2-CE2 3.93Å; F44-Y141 HydrophobicContact CD2-CE2 3.93Å; F44-Y141 AromaticContact CD2-CZ 3.82Å; F44-Y141 HydrophobicContact CG-CE2 4.36Å; F44-H168 AromaticContact CE2-CE1 3.92Å; F44-H168 AromaticContact CE2-ND1 3.7Å; F44-K171 HydrophobicContact CB-CD 3.4Å; F44-K171 VanDerWaalsContact CB-CD 3.4Å; F44-K171 HydrophobicContact CD1-CB 3.79Å; F44-K171 HydrophobicContact CD1-CD 3.87Å; F44-K171 HydrophobicContact CD1-CG 4.33Å; F44-K171 HydrophobicContact CD2-CB 3.94Å; F44-K171 HydrophobicContact CD2-CD 3.78Å; F44-K171 HydrophobicContact CE1-CB 3.71Å; F44-K171 HydrophobicContact CE2-CB 3.86Å; F44-K171 HydrophobicContact CG-CB 3.92Å; F44-K171 HydrophobicContact CG-CD 3.4Å; F44-K171 HydrophobicContact CG-CG 4.25Å; F44-K171 HydrophobicContact CZ-CB 3.75Å; F44-I175 HydrophobicContact CE1-CD1 3.76Å
45	M	90.2	Very high	73.9	Confident	71 Å²	71	83.5 Å²	83.5	35%	0.35	43%	0.43	S	S	.	.	H	α-helix	trans	-71.3	-50	178.4	-65.5	-56.2	-47.8	0	0	109.8	D42 P43 H47 Y49 I175	D42-M45 HydrophobicContact CB-CG 4.1Å; D42-M45 WeakPolarHBondContact O-CB 3.35Å; D42-M45 PolarHBondContact O-N 3.23Å; P43-M45 VanDerWaalsContact C-N 3.32Å; P43-M45 PolarHBondContact O-N 2.96Å; M45-H47 VanDerWaalsContact C-N 3.35Å; M45-H47 PolarHBondContact O-N 3.37Å; M45-Y49 HydrophobicContact CE-CD2 3.82Å; M45-Y49 HydrophobicContact CE-CE2 4.32Å; M45-Y49 HydrophobicContact CE-CG 4.01Å; M45-Y49 WeakPolarHBondContact O-CA 3.44Å; M45-Y49 VanDerWaalsContact O-CB 3.29Å; M45-Y49 WeakPolarHBondContact O-CB 3.43Å; M45-Y49 PolarHBondContact O-N 3.48Å; M45-Y49 HydrophobicContact SD-CD2 4.46Å; M45-I175 HydrophobicContact CE-CD1 4.02Å; M45-I175 HydrophobicContact SD-CD1 3.65Å
46	S	88.7	Confident	76.7	Confident	34 Å²	34	82.7 Å²	82.7	24%	0.238	42%	0.417	C	S	.	.	H	α-helix	trans	-61.6	-43.7	176.8	47.6	0	0	0	0	111.9	D42 P43 F48 D50 Y412	D42-S46 PolarHBondContact O-N 3.09Å; P43-S46 WeakPolarHBondContact CA-OG 3.06Å; P43-S46 PolarHBondContact O-OG 3.2Å; P43-S46 VanDerWaalsContact O-OG 3.14Å; S46-F48 PolarHBondContact O-N 3.33Å; S46-D50 WeakPolarHBondContact CA-OD2 3.47Å; S46-D50 WeakPolarHBondContact CB-OD2 3.31Å; S46-D50 VanDerWaalsContact O-CB 3.26Å; S46-D50 WeakPolarHBondContact O-CB 3.39Å; S46-D50 PolarHBondContact O-N 3.46Å; S46-D50 VanDerWaalsContact O-N 3.16Å; S46-Y412 PolarHBondContact O-OH 2.8Å
47	H	91.5	Very high	79.6	Confident	6 Å²	6	77.6 Å²	77.6	3%	0.028	39%	0.386	C	S	.	.	H	α-helix	trans	-67.7	-30	-174.5	-168.7	79.4	0	0	0	114.8	P43 M45 Y141 Y387 N411 Y412	P43-H47 WeakPolarHBondContact O-CB 3.35Å; P43-H47 PolarHBondContact O-N 2.85Å; M45-H47 VanDerWaalsContact C-N 3.35Å; M45-H47 PolarHBondContact O-N 3.37Å; H47-Y141 HydrophobicContact CB-CD2 4.42Å; H47-Y141 HydrophobicContact CB-CG 4.26Å; H47-Y141 VanDerWaalsContact CG-CB 3.46Å; H47-Y387 PolarHBondContact NE2-O 3.13Å; H47-Y387 VanDerWaalsContact O-CD1 3.22Å; H47-Y387 WeakPolarHBondContact O-CD1 3.47Å; H47-N411 PolarHBondContact CE1-OD1 3.49Å; H47-N411 VanDerWaalsContact CE1-OD1 3.28Å; H47-Y412 WeakPolarHBondContact CA-OH 3.35Å; H47-Y412 AromaticContact CE1-CE1 3.65Å; H47-Y412 AromaticContact ND1-CE1 3.8Å; H47-Y412 PolarHBondContact O-OH 3.16Å
48	F	92.2	Very high	82.5	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-113.8	-11.6	-176.6	-64.6	-68.2	0	0	0	115	F44 S46 Y141 H168 E335 R376 W378	F44-F48 AromaticContact CD2-CD2 3.54Å; F44-F48 HydrophobicContact CD2-CD2 3.54Å; F44-F48 AromaticContact CD2-CE2 3.65Å; F44-F48 HydrophobicContact CD2-CE2 3.65Å; F44-F48 AromaticContact CE2-CD2 3.56Å; F44-F48 HydrophobicContact CE2-CD2 3.56Å; F44-F48 AromaticContact CE2-CE2 3.74Å; F44-F48 HydrophobicContact CE2-CE2 3.74Å; F44-F48 HydrophobicContact CG-CD2 4.13Å; F44-F48 HydrophobicContact CZ-CD2 4.16Å; F44-F48 WeakPolarHBondContact O-CD2 3.45Å; F44-F48 PolarHBondContact O-N 3.18Å; S46-F48 PolarHBondContact O-N 3.33Å; F48-Y141 AromaticContact CE2-CD1 3.7Å; F48-Y141 HydrophobicContact CE2-CD1 3.7Å; F48-Y141 HydrophobicContact CE2-CD2 4.45Å; F48-Y141 AromaticContact CE2-CE1 3.64Å; F48-Y141 HydrophobicContact CE2-CE1 3.64Å; F48-Y141 HydrophobicContact CE2-CE2 4.39Å; F48-Y141 HydrophobicContact CE2-CG 4.14Å; F48-Y141 AromaticContact CZ-CD1 3.83Å; F48-Y141 HydrophobicContact CZ-CD1 3.83Å; F48-Y141 AromaticContact CZ-CE1 3.96Å; F48-Y141 HydrophobicContact CZ-CE1 3.96Å; F48-H168 AromaticContact CE2-CE1 3.9Å; F48-H168 AromaticContact CE2-ND1 3.96Å; F48-H168 AromaticContact CZ-CE1 3.86Å; F48-E335 HydrophobicContact CD1-CG 4.38Å; F48-E335 HydrophobicContact CE1-CB 3.8Å; F48-E335 HydrophobicContact CE1-CG 3.84Å; F48-E335 HydrophobicContact CZ-CB 3.95Å; F48-E335 HydrophobicContact CZ-CG 4.41Å; F48-R376 WeakPolarHBondContact O-CD 3.47Å; F48-W378 HydrophobicContact CD1-CH2 4.24Å; F48-W378 AromaticContact CD1-CZ2 3.81Å; F48-W378 HydrophobicContact CD1-CZ2 3.81Å; F48-W378 PolarHBondContact O-NE1 2.78Å; F48-W378 VanDerWaalsContact O-NE1 3.14Å
49	Y	88.5	Confident	85.2	Confident	37 Å²	37	69.5 Å²	69.5	15%	0.145	35%	0.353	C	S	.	.	H	α-helix	trans	-126.3	-14	-175.5	-60.7	-97.3	0	0	0	114.6	F44 M45 C51 I175 R196 D197 R376	F44-Y49 AromaticContact CE1-CE2 3.9Å; F44-Y49 HydrophobicContact CE1-CE2 3.9Å; F44-Y49 HydrophobicContact CZ-CE2 4.46Å; M45-Y49 HydrophobicContact CE-CD2 3.82Å; M45-Y49 HydrophobicContact CE-CE2 4.32Å; M45-Y49 HydrophobicContact CE-CG 4.01Å; M45-Y49 WeakPolarHBondContact O-CA 3.44Å; M45-Y49 VanDerWaalsContact O-CB 3.29Å; M45-Y49 WeakPolarHBondContact O-CB 3.43Å; M45-Y49 PolarHBondContact O-N 3.48Å; M45-Y49 HydrophobicContact SD-CD2 4.46Å; Y49-C51 PolarHBondContact O-N 3.3Å; Y49-I175 HydrophobicContact CE1-CD1 4.45Å; Y49-I175 HydrophobicContact CE1-CG2 4.41Å; Y49-I175 HydrophobicContact CE2-CD1 3.67Å; Y49-R196 WeakPolarHBondContact CE1-O 3.39Å; Y49-D197 HydrophobicContact CE1-CB 4.48Å; Y49-R376 PolarHBondContact OH-NH2 2.86Å
50	D	84.8	Confident	87	Confident	58 Å²	58	61.6 Å²	61.6	31%	0.31	32%	0.32	S	S	.	.	S	Bend	trans	-78	101.3	164.4	-61.9	-14.7	0	0	0	106.9	K41 S46 H52	K41-D50 IonicContact NZ-OD1 3.41Å; K41-D50 PolarHBondContact NZ-OD1 2.93Å; K41-D50 IonicContact NZ-OD2 2.92Å; K41-D50 PolarHBondContact NZ-OD2 2.99Å; S46-D50 WeakPolarHBondContact CA-OD2 3.47Å; S46-D50 WeakPolarHBondContact CB-OD2 3.31Å; S46-D50 VanDerWaalsContact O-CB 3.26Å; S46-D50 WeakPolarHBondContact O-CB 3.39Å; S46-D50 PolarHBondContact O-N 3.46Å; S46-D50 VanDerWaalsContact O-N 3.16Å; D50-H52 PolarHBondContact O-CD2 3.33Å; D50-H52 VanDerWaalsContact O-CD2 3.27Å; D50-H52 PolarHBondContact O-N 2.83Å
51	C	79.8	Confident	88.3	Confident	77 Å²	77	57.2 Å²	57.2	52%	0.52	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-77	120	-174.3	-74.8	0	0	0	0	112	Y49	Y49-C51 PolarHBondContact O-N 3.3Å
52	H	86.2	Confident	88.7	Confident	61 Å²	61	54 Å²	54	28%	0.282	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-100.5	145.8	174.7	-63.2	-78.8	0	0	0	112.6	D50 F56 L57 Y387 Y412	D50-H52 PolarHBondContact O-CD2 3.33Å; D50-H52 VanDerWaalsContact O-CD2 3.27Å; D50-H52 PolarHBondContact O-N 2.83Å; H52-F56 HydrophobicContact CB-CD1 4.02Å; H52-F56 HydrophobicContact CB-CE1 4.46Å; H52-F56 AromaticContact ND1-CD1 3.84Å; H52-F56 AromaticContact ND1-CE1 3.53Å; H52-L57 HydrophobicContact CB-CD1 3.98Å; H52-L57 HydrophobicContact CB-CD2 3.79Å; H52-L57 HydrophobicContact CB-CG 3.74Å; H52-Y387 PolarHBondContact N-OH 3.38Å; H52-Y387 VanDerWaalsContact N-OH 3.11Å; H52-Y412 AromaticContact CD2-CE2 3.43Å; H52-Y412 VanDerWaalsContact CD2-CE2 3.43Å; H52-Y412 WeakPolarHBondContact CD2-CE2 3.08Å; H52-Y412 AromaticContact CD2-CZ 3.55Å; H52-Y412 AromaticContact NE2-CE2 3.16Å; H52-Y412 WeakPolarHBondContact NE2-CE2 3.26Å; H52-Y412 AromaticContact NE2-CZ 3.58Å; H52-Y412 PolarHBondContact NE2-OH 2.91Å
53	E	88.1	Confident	88.5	Confident	153 Å²	153	55.3 Å²	55.3	72%	0.715	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-66.2	152.6	173.8	-63.9	-178.4	159	0	0	112.2	F56 L57	E53-F56 HydrophobicContact CB-CB 4.33Å; E53-F56 PolarHBondContact O-N 3.33Å; E53-L57 WeakPolarHBondContact O-CG 3.38Å; E53-L57 PolarHBondContact O-N 3.36Å; E53-L57 VanDerWaalsContact O-N 3.15Å
54	A	89.8	Confident	88.1	Confident	47 Å²	47	55.4 Å²	55.4	39%	0.388	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-54.5	-178.5	0	0	0	0	0	111.7	F56 L57 E58 L383	A54-F56 VanDerWaalsContact C-N 3.32Å; A54-F56 PolarHBondContact O-N 3.35Å; A54-L57 PolarHBondContact O-N 3.06Å; A54-L57 VanDerWaalsContact O-N 3.07Å; A54-E58 WeakPolarHBondContact O-CG 3.35Å; A54-E58 PolarHBondContact O-N 3Å; A54-L383 HydrophobicContact CB-CD1 4.04Å; A54-L383 HydrophobicContact CB-CD2 3.86Å
55	E	90.9	Very high	87.4	Confident	143 Å²	143	63.3 Å²	63.3	67%	0.668	33%	0.327	S	S	*	.	H	α-helix	trans	-59.6	-40.1	-177.9	-179.5	170.4	-175.8	0	0	112.5	L57 E58 N59	E55-L57 PolarHBondContact O-N 3.03Å; E55-E58 PolarHBondContact O-N 3.37Å; E55-N59 VanDerWaalsContact CG-ND2 3.33Å; E55-N59 WeakPolarHBondContact CG-ND2 3.43Å; E55-N59 VanDerWaalsContact O-CB 3.25Å; E55-N59 WeakPolarHBondContact O-CB 3.41Å; E55-N59 PolarHBondContact O-N 2.84Å; E55-N59 PolarHBondContact O-ND2 3.07Å
56	F	92	Very high	86.7	Confident	99 Å²	99	63.2 Å²	63.2	43%	0.434	33%	0.33	S	S	.	.	H	α-helix	trans	-58.6	-47.6	173	173.1	-94	0	0	0	112	H52 E53 A54 L60	H52-F56 HydrophobicContact CB-CD1 4.02Å; H52-F56 HydrophobicContact CB-CE1 4.46Å; H52-F56 AromaticContact ND1-CD1 3.84Å; H52-F56 AromaticContact ND1-CE1 3.53Å; E53-F56 HydrophobicContact CB-CB 4.33Å; E53-F56 PolarHBondContact O-N 3.33Å; A54-F56 VanDerWaalsContact C-N 3.32Å; A54-F56 PolarHBondContact O-N 3.35Å; F56-L60 HydrophobicContact CE1-CD2 3.84Å; F56-L60 HydrophobicContact CZ-CD2 3.98Å; F56-L60 WeakPolarHBondContact O-CB 3.32Å; F56-L60 PolarHBondContact O-N 2.68Å
57	L	91.3	Very high	86	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-65.3	-43	178.9	-69.7	169.9	0	0	0	112	H52 E53 A54 E55 L60 V61 L383 Y386 Y387 Y412	H52-L57 HydrophobicContact CB-CD1 3.98Å; H52-L57 HydrophobicContact CB-CD2 3.79Å; H52-L57 HydrophobicContact CB-CG 3.74Å; E53-L57 WeakPolarHBondContact O-CG 3.38Å; E53-L57 PolarHBondContact O-N 3.36Å; E53-L57 VanDerWaalsContact O-N 3.15Å; A54-L57 PolarHBondContact O-N 3.06Å; A54-L57 VanDerWaalsContact O-N 3.07Å; E55-L57 PolarHBondContact O-N 3.03Å; L57-L60 PolarHBondContact O-N 3.31Å; L57-V61 WeakPolarHBondContact O-CB 3.4Å; L57-V61 VanDerWaalsContact O-CG2 3.27Å; L57-V61 WeakPolarHBondContact O-CG2 3.5Å; L57-V61 PolarHBondContact O-N 2.92Å; L57-L383 HydrophobicContact CD1-CB 4.46Å; L57-L383 HydrophobicContact CD1-CD1 4.24Å; L57-Y386 HydrophobicContact CB-CD2 3.9Å; L57-Y386 HydrophobicContact CB-CE2 4.28Å; L57-Y386 HydrophobicContact CB-CG 4.2Å; L57-Y386 HydrophobicContact CD1-CD2 4.16Å; L57-Y387 HydrophobicContact CD1-CE2 3.66Å; L57-Y412 VanDerWaalsContact CD2-CB 3.5Å; L57-Y412 HydrophobicContact CD2-CD1 4.16Å; L57-Y412 HydrophobicContact CD2-CD2 4.25Å; L57-Y412 HydrophobicContact CD2-CG 3.73Å
58	E	89.8	Confident	85.3	Confident	88 Å²	88	70.4 Å²	70.4	41%	0.411	39%	0.387	S	S	.	.	H	α-helix	trans	-67.4	-43.9	-178.8	-53.3	-131.7	123.7	0	0	110.6	A54 E55 V61 A62 K385 Y386	A54-E58 WeakPolarHBondContact O-CG 3.35Å; A54-E58 PolarHBondContact O-N 3Å; E55-E58 PolarHBondContact O-N 3.37Å; E58-V61 PolarHBondContact O-N 2.96Å; E58-A62 WeakPolarHBondContact O-CB 3.39Å; E58-A62 PolarHBondContact O-N 3Å; E58-K385 IonicContact OE1-NZ 2.8Å; E58-K385 PolarHBondContact OE1-NZ 3.27Å; E58-Y386 HydrophobicContact CG-CE2 3.85Å; E58-Y386 WeakPolarHBondContact CG-OH 3.45Å; E58-Y386 WeakPolarHBondContact OE1-CE2 3.39Å; E58-Y386 PolarHBondContact OE1-OH 3.06Å
59	N	90	Very high	84.9	Confident	94 Å²	94	74.3 Å²	74.3	50%	0.503	41%	0.405	S	S	.	.	H	α-helix	trans	-65.1	-42.2	175.5	-74.5	-30.4	0	0	0	112.4	E55 V61 A62 S63	E55-N59 VanDerWaalsContact CG-ND2 3.33Å; E55-N59 WeakPolarHBondContact CG-ND2 3.43Å; E55-N59 VanDerWaalsContact O-CB 3.25Å; E55-N59 WeakPolarHBondContact O-CB 3.41Å; E55-N59 PolarHBondContact O-N 2.84Å; E55-N59 PolarHBondContact O-ND2 3.07Å; N59-V61 VanDerWaalsContact C-N 3.33Å; N59-V61 PolarHBondContact O-N 3.03Å; N59-A62 PolarHBondContact O-N 2.91Å; N59-S63 WeakPolarHBondContact O-CB 3.38Å; N59-S63 PolarHBondContact O-N 3.26Å; N59-S63 PolarHBondContact O-OG 3.45Å; N59-S63 VanDerWaalsContact O-OG 3.14Å
60	L	88.9	Confident	84.8	Confident	38 Å²	38	74.4 Å²	74.4	20%	0.199	41%	0.407	C	S	.	.	H	α-helix	trans	-64.5	-35.1	177.1	-178.1	64.6	0	0	0	112.7	F56 L57 S63 R64	F56-L60 HydrophobicContact CE1-CD2 3.84Å; F56-L60 HydrophobicContact CZ-CD2 3.98Å; F56-L60 WeakPolarHBondContact O-CB 3.32Å; F56-L60 PolarHBondContact O-N 2.68Å; L57-L60 PolarHBondContact O-N 3.31Å; L60-S63 PolarHBondContact O-OG 2.81Å; L60-R64 WeakPolarHBondContact O-CB 3.25Å; L60-R64 VanDerWaalsContact O-CD 3.28Å; L60-R64 WeakPolarHBondContact O-CD 3.47Å; L60-R64 VanDerWaalsContact O-CG 3.22Å; L60-R64 WeakPolarHBondContact O-CG 3.36Å
61	V	86.6	Confident	85	Confident	10 Å²	10	76.3 Å²	76.3	6%	0.061	41%	0.414	C	S	.	.	H	α-helix	trans	-86.2	-22.7	179	175.2	0	0	0	0	111.8	L57 E58 N59 R65 Y386 H410	L57-V61 WeakPolarHBondContact O-CB 3.4Å; L57-V61 VanDerWaalsContact O-CG2 3.27Å; L57-V61 WeakPolarHBondContact O-CG2 3.5Å; L57-V61 PolarHBondContact O-N 2.92Å; E58-V61 PolarHBondContact O-N 2.96Å; N59-V61 VanDerWaalsContact C-N 3.33Å; N59-V61 PolarHBondContact O-N 3.03Å; V61-R65 WeakPolarHBondContact O-CG 3.28Å; V61-Y386 HydrophobicContact CB-CD1 4.31Å; V61-Y386 HydrophobicContact CB-CE1 4.02Å; V61-Y386 HydrophobicContact CG1-CD1 4.36Å; V61-Y386 HydrophobicContact CG1-CE1 3.99Å; V61-Y386 HydrophobicContact CG2-CD1 3.84Å; V61-Y386 HydrophobicContact CG2-CE1 4.07Å; V61-H410 HydrophobicContact CG1-CB 4.28Å; V61-H410 VanDerWaalsContact CG2-O 3.26Å; V61-H410 WeakPolarHBondContact CG2-O 3.34Å
62	A	86.2	Confident	85.4	Confident	51 Å²	51	77.7 Å²	77.7	42%	0.421	42%	0.422	S	S	.	.	H	α-helix	trans	-75	-48.6	172.3	0	0	0	0	0	112.4	E58 N59 R64 R65	E58-A62 WeakPolarHBondContact O-CB 3.39Å; E58-A62 PolarHBondContact O-N 3Å; N59-A62 PolarHBondContact O-N 2.91Å; A62-R64 VanDerWaalsContact C-N 3.29Å; A62-R64 PolarHBondContact O-N 2.94Å; A62-R65 WeakPolarHBondContact O-CB 3.43Å; A62-R65 WeakPolarHBondContact O-CG 3.47Å; A62-R65 PolarHBondContact O-N 3.22Å
63	S	82.7	Confident	85.6	Confident	63 Å²	63	76.2 Å²	76.2	44%	0.441	42%	0.415	S	S	.	.	H	α-helix	trans	-57.3	-44	178.4	58.5	0	0	0	0	111.7	N59 L60 R65 T66	N59-S63 WeakPolarHBondContact O-CB 3.38Å; N59-S63 PolarHBondContact O-N 3.26Å; N59-S63 PolarHBondContact O-OG 3.45Å; N59-S63 VanDerWaalsContact O-OG 3.14Å; L60-S63 PolarHBondContact O-OG 2.81Å; S63-R65 PolarHBondContact O-N 2.87Å; S63-T66 PolarHBondContact O-OG1 2.86Å
64	R	80.1	Confident	85.6	Confident	31 Å²	31	75.3 Å²	75.3	12%	0.117	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	1.1	175.4	-74	178	-179.8	176.7	0.9	115.5	L60 A62 T66 R84 Y412	L60-R64 WeakPolarHBondContact O-CB 3.25Å; L60-R64 VanDerWaalsContact O-CD 3.28Å; L60-R64 WeakPolarHBondContact O-CD 3.47Å; L60-R64 VanDerWaalsContact O-CG 3.22Å; L60-R64 WeakPolarHBondContact O-CG 3.36Å; A62-R64 VanDerWaalsContact C-N 3.29Å; A62-R64 PolarHBondContact O-N 2.94Å; R64-T66 VanDerWaalsContact C-N 3.34Å; R64-R84 HydrophobicContact CB-CG 4.32Å; R64-R84 HydrophobicContact CG-CG 4.29Å; R64-R84 WeakPolarHBondContact O-CD 3.16Å; R64-R84 PolarHBondContact O-NH1 3.35Å; R64-Y412 PolarHBondContact NH1-O 3.48Å
65	R	76.4	Confident	85.5	Confident	168 Å²	168	73.7 Å²	73.7	63%	0.634	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-13.3	177.3	-65.3	-175.6	-178.9	-171.1	-1.1	114	V61 A62 S63	V61-R65 WeakPolarHBondContact O-CG 3.28Å; A62-R65 WeakPolarHBondContact O-CB 3.43Å; A62-R65 WeakPolarHBondContact O-CG 3.47Å; A62-R65 PolarHBondContact O-N 3.22Å; S63-R65 PolarHBondContact O-N 2.87Å
66	T	77	Confident	85.2	Confident	69 Å²	69	72.1 Å²	72.1	42%	0.423	40%	0.402	S	S	.	.	S	Bend	trans	-75.7	148.8	177.4	54.5	0	0	0	0	111.7	S63 R64 S68 E69	S63-T66 PolarHBondContact O-OG1 2.86Å; R64-T66 VanDerWaalsContact C-N 3.34Å; T66-S68 PolarHBondContact O-N 3.26Å; T66-S68 PolarHBondContact OG1-OG 3.02Å; T66-E69 PolarHBondContact O-N 3.09Å; T66-E69 VanDerWaalsContact OG1-CG 3.23Å; T66-E69 WeakPolarHBondContact OG1-CG 3.46Å
67	A	73	Confident	85	Confident	90 Å²	90	69.8 Å²	69.8	74%	0.744	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-70.1	-20.1	178.6	0	0	0	0	0	113.2	E69	A67-E69 PolarHBondContact O-N 3.23Å
68	S	78.1	Confident	84.8	Confident	101 Å²	101	69.8 Å²	69.8	71%	0.706	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-68.3	-18	178	49.8	0	0	0	0	114.2	T66 F70	T66-S68 PolarHBondContact O-N 3.26Å; T66-S68 PolarHBondContact OG1-OG 3.02Å; S68-F70 PolarHBondContact O-N 2.92Å
69	E	83.4	Confident	84.7	Confident	83 Å²	83	66.1 Å²	66.1	39%	0.388	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-83	4.5	-177.8	-67.8	-80.3	126.1	0	0	113.4	T66 A67 R84	T66-E69 PolarHBondContact O-N 3.09Å; T66-E69 VanDerWaalsContact OG1-CG 3.23Å; T66-E69 WeakPolarHBondContact OG1-CG 3.46Å; A67-E69 PolarHBondContact O-N 3.23Å; E69-R84 HydrophobicContact CB-CG 4.08Å; E69-R84 WeakPolarHBondContact O-CA 3.36Å; E69-R84 WeakPolarHBondContact O-CG 3.5Å
70	F	85.4	Confident	84.7	Confident	39 Å²	39	63.9 Å²	63.9	17%	0.171	37%	0.372	C	S	.	.			trans	-98.5	107.9	177.1	-79	-80.3	0	0	0	111.6	S68 L82 A83 R84 L406 I417	S68-F70 PolarHBondContact O-N 2.92Å; F70-L82 HydrophobicContact CB-CB 4.19Å; F70-L82 HydrophobicContact CD1-CB 3.71Å; F70-L82 HydrophobicContact CE1-CB 4.49Å; F70-L82 HydrophobicContact CG-CB 4.26Å; F70-A83 CarbonylContact C-O 3.48Å; F70-A83 WeakPolarHBondContact CA-O 3.3Å; F70-R84 HydrophobicContact CD1-CB 3.67Å; F70-R84 HydrophobicContact CE1-CB 3.6Å; F70-R84 HydrophobicContact CE1-CG 4.49Å; F70-R84 HydrophobicContact CG-CB 4.21Å; F70-R84 HydrophobicContact CZ-CB 4.07Å; F70-L406 HydrophobicContact CE2-CD2 4.43Å; F70-L406 HydrophobicContact CZ-CD2 3.94Å; F70-I417 HydrophobicContact CE1-CD1 3.86Å; F70-I417 HydrophobicContact CE1-CG1 4.33Å; F70-I417 HydrophobicContact CZ-CD1 3.94Å
71	E	88.5	Confident	84.8	Confident	98 Å²	98	62.1 Å²	62.1	46%	0.458	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130.6	170.3	-65.6	-175.4	168.6	0	0	110.4	L73 A83	E71-L73 PolarHBondContact O-N 3.25Å; E71-A83 PolarHBondContact N-O 3.1Å; E71-A83 PolarHBondContact O-N 3.1Å
72	P	89.4	Confident	85.1	Confident	106 Å²	106	64.7 Å²	64.7	69%	0.688	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.4	172.5	30.4	-32.7	0	0	0	110.9	L82	P72-L82 HydrophobicContact CB-CD2 4.2Å
73	L	89.6	Confident	85.4	Confident	29 Å²	29	62.3 Å²	62.3	15%	0.152	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	155.5	176.6	-56.8	-177	0	0	0	110.8	E71 P80 V81 A83 A88 L91	E71-L73 PolarHBondContact O-N 3.25Å; L73-P80 WeakPolarHBondContact O-CA 3.5Å; L73-V81 HydrophobicContact CB-CG2 3.83Å; L73-V81 PolarHBondContact N-O 3.42Å; L73-V81 PolarHBondContact O-N 2.92Å; L73-A83 HydrophobicContact CD1-CB 3.57Å; L73-A83 HydrophobicContact CG-CB 4.05Å; L73-A88 HydrophobicContact CD1-CB 4.41Å; L73-A88 HydrophobicContact CD2-CB 3.83Å; L73-L91 HydrophobicContact CD1-CD1 3.96Å
74	L	89.2	Confident	85.7	Confident	134 Å²	134	60.2 Å²	60.2	70%	0.702	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.3	176.5	-180	59.9	0	0	0	110.4
75	L	86.5	Confident	86	Confident	14 Å²	14	60.3 Å²	60.3	7%	0.073	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	145.5	176.4	-65.3	176.2	0	0	0	111.1	T77 V78 G79 V81 L91 I137	L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 PolarHBondContact O-N 3.1Å; L75-T77 VanDerWaalsContact O-N 3.17Å; L75-V78 HydrophobicContact CB-CB 3.92Å; L75-V78 HydrophobicContact CD1-CB 4.05Å; L75-V78 HydrophobicContact CD1-CG1 4.03Å; L75-G79 PolarHBondContact N-O 2.91Å; L75-G79 WeakPolarHBondContact O-CA 3.16Å; L75-G79 PolarHBondContact O-N 3.11Å; L75-V81 HydrophobicContact CD1-CG1 4.03Å; L75-V81 HydrophobicContact CD1-CG2 4.28Å; L75-V81 HydrophobicContact CG-CG2 4.46Å; L75-L91 HydrophobicContact CD2-CD1 4.35Å; L75-I137 HydrophobicContact CD1-CD1 3.79Å; L75-I137 HydrophobicContact CD1-CG1 4.4Å
76	P	85.4	Confident	86.4	Confident	109 Å²	109	52.6 Å²	52.6	71%	0.708	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-39.7	-169.2	-28.8	35.2	0	0	0	116.1
77	T	86.9	Confident	86.3	Confident	51 Å²	51	53.9 Å²	53.9	31%	0.313	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-30.6	-173.5	-17.7	0	0	0	0	112.3	L75 L129 L130 D133	L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 PolarHBondContact O-N 3.1Å; L75-T77 VanDerWaalsContact O-N 3.17Å; T77-L129 HydrophobicContact CG2-CB 4.38Å; T77-L129 VanDerWaalsContact OG1-C 3.23Å; T77-L129 WeakPolarHBondContact OG1-CB 3.33Å; T77-L130 HydrophobicContact CG2-CB 3.93Å; T77-L130 PolarHBondContact OG1-N 3.28Å; T77-D133 WeakPolarHBondContact CA-OD2 3.47Å; T77-D133 WeakPolarHBondContact CB-OD2 3.39Å; T77-D133 PolarHBondContact N-OD2 2.83Å; T77-D133 PolarHBondContact OG1-OD2 3.36Å
78	V	87.2	Confident	86.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-24.7	170.3	169.7	0	0	0	0	111.2	L75 V81 L130 D133 I134 M144 Y146 R148 A418	L75-V78 HydrophobicContact CB-CB 3.92Å; L75-V78 HydrophobicContact CD1-CB 4.05Å; L75-V78 HydrophobicContact CD1-CG1 4.03Å; V78-V81 HydrophobicContact CG1-CG1 3.56Å; V78-L130 HydrophobicContact CG2-CD1 3.94Å; V78-D133 HydrophobicContact CB-CB 4.42Å; V78-D133 HydrophobicContact CG2-CB 3.66Å; V78-D133 PolarHBondContact N-OD2 2.9Å; V78-I134 HydrophobicContact CG2-CG1 3.74Å; V78-M144 HydrophobicContact CG1-CE 4.34Å; V78-M144 HydrophobicContact CG2-CE 4.45Å; V78-Y146 HydrophobicContact CB-CE2 4.34Å; V78-Y146 HydrophobicContact CG1-CD2 4.13Å; V78-Y146 HydrophobicContact CG1-CE2 4Å; V78-Y146 HydrophobicContact CG2-CE2 4.03Å; V78-R148 WeakPolarHBondContact O-CD 3.39Å; V78-R148 PolarHBondContact O-NH1 3.49Å; V78-A418 HydrophobicContact CG1-CB 3.91Å
79	G	87.7	Confident	86.1	Confident	10 Å²	10	56.7 Å²	56.7	10%	0.103	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.3	-153	178.3	0	0	0	0	0	113	L75	L75-G79 PolarHBondContact N-O 2.91Å; L75-G79 WeakPolarHBondContact O-CA 3.16Å; L75-G79 PolarHBondContact O-N 3.11Å
80	P	90.5	Very high	85.4	Confident	47 Å²	47	55.8 Å²	55.8	31%	0.305	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	137.5	178.8	26.7	-34.3	0	0	0	111.6	L73 E419	L73-P80 WeakPolarHBondContact O-CA 3.5Å; P80-E419 HydrophobicContact CB-CG 4.23Å; P80-E419 HydrophobicContact CG-CB 4.22Å; P80-E419 HydrophobicContact CG-CG 4.26Å; P80-E419 WeakPolarHBondContact CG-OE2 3.07Å; P80-E419 PolarHBondContact O-N 3.16Å; P80-E419 VanDerWaalsContact O-N 3.09Å
81	V	91.7	Very high	84.8	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.3	178.1	-50	0	0	0	0	110.3	L73 L75 V78 V416 I417 A418	L73-V81 HydrophobicContact CB-CG2 3.83Å; L73-V81 PolarHBondContact N-O 3.42Å; L73-V81 PolarHBondContact O-N 2.92Å; L75-V81 HydrophobicContact CD1-CG1 4.03Å; L75-V81 HydrophobicContact CD1-CG2 4.28Å; L75-V81 HydrophobicContact CG-CG2 4.46Å; V78-V81 HydrophobicContact CG1-CG1 3.56Å; V81-V416 HydrophobicContact CB-CG1 3.59Å; V81-V416 HydrophobicContact CG1-CG1 3.97Å; V81-V416 HydrophobicContact CG2-CG1 3.62Å; V81-I417 CarbonylContact C-O 3.55Å; V81-I417 VanDerWaalsContact CA-O 3.27Å; V81-I417 WeakPolarHBondContact CA-O 3.26Å; V81-A418 HydrophobicContact CG1-CB 3.94Å
82	L	91.8	Very high	83.5	Confident	64 Å²	64	55.8 Å²	55.8	34%	0.335	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118	165.5	-63.1	178.4	0	0	0	108.2	F70 P72 I417	F70-L82 HydrophobicContact CB-CB 4.19Å; F70-L82 HydrophobicContact CD1-CB 3.71Å; F70-L82 HydrophobicContact CE1-CB 4.49Å; F70-L82 HydrophobicContact CG-CB 4.26Å; P72-L82 HydrophobicContact CB-CD2 4.2Å; L82-I417 PolarHBondContact N-O 3.08Å; L82-I417 PolarHBondContact O-N 2.89Å
83	A	91.9	Very high	81.7	Confident	1 Å²	1	54 Å²	54	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.9	-178.7	0	0	0	0	0	110.9	F70 E71 L73 C415 V416	F70-A83 CarbonylContact C-O 3.48Å; F70-A83 WeakPolarHBondContact CA-O 3.3Å; E71-A83 PolarHBondContact N-O 3.1Å; E71-A83 PolarHBondContact O-N 3.1Å; L73-A83 HydrophobicContact CD1-CB 3.57Å; L73-A83 HydrophobicContact CG-CB 4.05Å; A83-C415 WeakPolarHBondContact CA-O 3.45Å; A83-V416 HydrophobicContact CB-CG2 4.4Å
84	R	90.1	Very high	80	Confident	19 Å²	19	53.8 Å²	53.8	7%	0.072	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	119.1	-175.5	176.4	-177.4	70.3	163.5	0.4	110.7	R64 E69 F70 I86 A409 G414 C415	R64-R84 HydrophobicContact CB-CG 4.32Å; R64-R84 HydrophobicContact CG-CG 4.29Å; R64-R84 WeakPolarHBondContact O-CD 3.16Å; R64-R84 PolarHBondContact O-NH1 3.35Å; E69-R84 HydrophobicContact CB-CG 4.08Å; E69-R84 WeakPolarHBondContact O-CA 3.36Å; E69-R84 WeakPolarHBondContact O-CG 3.5Å; F70-R84 HydrophobicContact CD1-CB 3.67Å; F70-R84 HydrophobicContact CE1-CB 3.6Å; F70-R84 HydrophobicContact CE1-CG 4.49Å; F70-R84 HydrophobicContact CG-CB 4.21Å; F70-R84 HydrophobicContact CZ-CB 4.07Å; R84-I86 VanDerWaalsContact C-N 3.25Å; R84-A409 PolarHBondContact NH2-O 3.06Å; R84-G414 CarbonylContact O-C 3.56Å; R84-G414 WeakPolarHBondContact O-CA 3.39Å; R84-C415 PolarHBondContact N-O 2.89Å; R84-C415 PolarHBondContact NE-SG 2.74Å; R84-C415 PolarHBondContact NH2-SG 2.86Å; R84-C415 PolarHBondContact O-N 3.46Å
85	G	85.8	Confident	78.3	Confident	34 Å²	34	49.5 Å²	49.5	35%	0.351	29%	0.287	S	S	.	.	S	Bend	trans	71.9	15.9	-173.9	0	0	0	0	0	114.4
86	I	84.3	Confident	76.7	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.026	31%	0.308	C	S	.	.			trans	-135.6	101.1	-176.3	-52.2	166.9	0	0	0	109	R84 L91 H142 A413 V416	R84-I86 VanDerWaalsContact C-N 3.25Å; I86-L91 HydrophobicContact CG2-CD1 4.23Å; I86-L91 HydrophobicContact CG2-CD2 3.98Å; I86-L91 HydrophobicContact CG2-CG 3.85Å; I86-H142 HydrophobicContact CD1-CB 3.57Å; I86-H142 VanDerWaalsContact CD1-CG 3.44Å; I86-A413 WeakPolarHBondContact CG1-O 3.43Å; I86-V416 HydrophobicContact CD1-CG2 3.59Å
87	N	75.8	Confident	75.3	Confident	96 Å²	96	51 Å²	51	51%	0.513	29%	0.288	S	S	.	.			trans	-72.4	148.6	179	-45.4	82.5	0	0	0	111.2	R89 T90	N87-R89 PolarHBondContact O-N 3.37Å; N87-T90 VanDerWaalsContact O-CB 3.32Å; N87-T90 WeakPolarHBondContact O-CB 3.25Å; N87-T90 PolarHBondContact O-N 3.28Å; N87-T90 PolarHBondContact O-OG1 2.73Å
88	A	73.9	Confident	74.5	Confident	35 Å²	35	53.9 Å²	53.9	29%	0.289	30%	0.296	S	S	.	.	H	α-helix	trans	-49.3	-38.8	178.4	0	0	0	0	0	114.1	L73 T90 L91 H92	L73-A88 HydrophobicContact CD1-CB 4.41Å; L73-A88 HydrophobicContact CD2-CB 3.83Å; A88-T90 PolarHBondContact O-N 2.88Å; A88-L91 PolarHBondContact O-N 3.35Å; A88-H92 PolarHBondContact O-CD2 2.96Å; A88-H92 PolarHBondContact O-N 3.29Å
89	R	72.1	Confident	74.3	Confident	215 Å²	215	54.1 Å²	54.1	81%	0.811	30%	0.298	S	S	*	.	H	α-helix	trans	-58.2	-34.1	178.4	-65.4	-176.8	-179	179.2	1.3	112.8	N87 T93	N87-R89 PolarHBondContact O-N 3.37Å; R89-T93 WeakPolarHBondContact O-CB 3.34Å; R89-T93 PolarHBondContact O-N 3.16Å; R89-T93 PolarHBondContact O-OG1 3.35Å
90	T	70.2	Confident	74.1	Confident	65 Å²	65	56.7 Å²	56.7	40%	0.399	31%	0.305	S	S	.	.	H	α-helix	trans	-67.1	-48.8	179.7	-52.4	0	0	0	0	110.7	N87 A88 T93 A94	N87-T90 VanDerWaalsContact O-CB 3.32Å; N87-T90 WeakPolarHBondContact O-CB 3.25Å; N87-T90 PolarHBondContact O-N 3.28Å; N87-T90 PolarHBondContact O-OG1 2.73Å; A88-T90 PolarHBondContact O-N 2.88Å; T90-T93 PolarHBondContact O-N 2.71Å; T90-A94 PolarHBondContact O-N 2.75Å; T90-A94 VanDerWaalsContact O-N 3.15Å
91	L	71.6	Confident	73.9	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-65.1	-43.9	177.5	-62.9	177.8	0	0	0	111.8	L73 L75 I86 A88 T93 A94 G95 I137	L73-L91 HydrophobicContact CD1-CD1 3.96Å; L75-L91 HydrophobicContact CD2-CD1 4.35Å; I86-L91 HydrophobicContact CG2-CD1 4.23Å; I86-L91 HydrophobicContact CG2-CD2 3.98Å; I86-L91 HydrophobicContact CG2-CG 3.85Å; A88-L91 PolarHBondContact O-N 3.35Å; L91-T93 VanDerWaalsContact C-N 3.28Å; L91-T93 PolarHBondContact O-N 2.85Å; L91-A94 PolarHBondContact O-N 2.95Å; L91-G95 PolarHBondContact O-N 3.47Å; L91-I137 HydrophobicContact CD2-CB 4.4Å; L91-I137 HydrophobicContact CD2-CG1 3.84Å
92	H	61.1	Low	73.7	Confident	130 Å²	130	57.1 Å²	57.1	60%	0.602	30%	0.302	S	S	*	.	H	α-helix	trans	-62.1	-33.4	174.7	-71.6	-56.9	0	0	0	113.1	A88 G95	A88-H92 PolarHBondContact O-CD2 2.96Å; A88-H92 PolarHBondContact O-N 3.29Å; H92-G95 WeakPolarHBondContact O-CA 3.34Å; H92-G95 PolarHBondContact O-N 3.16Å; H92-G95 VanDerWaalsContact O-N 3.14Å
93	T	53.3	Low	73.3	Confident	69 Å²	69	62.7 Å²	62.7	42%	0.423	32%	0.323	S	S	.	.	H	α-helix	trans	-67.9	-38.4	175.6	-58.9	0	0	0	0	111.7	R89 T90 L91 G95 L96	R89-T93 WeakPolarHBondContact O-CB 3.34Å; R89-T93 PolarHBondContact O-N 3.16Å; R89-T93 PolarHBondContact O-OG1 3.35Å; T90-T93 PolarHBondContact O-N 2.71Å; L91-T93 VanDerWaalsContact C-N 3.28Å; L91-T93 PolarHBondContact O-N 2.85Å; T93-G95 PolarHBondContact O-N 3.2Å; T93-L96 HydrophobicContact CG2-CD1 4.38Å; T93-L96 WeakPolarHBondContact O-CB 2.98Å; T93-L96 WeakPolarHBondContact O-CG 3.27Å; T93-L96 PolarHBondContact O-N 2.83Å
94	A	53.9	Low	72.9	Confident	25 Å²	25	65.3 Å²	65.3	21%	0.207	35%	0.345	C	S	.	.	H	α-helix	trans	-64.4	-30.6	170.7	0	0	0	0	0	112.2	T90 L91 L96 S136	T90-A94 PolarHBondContact O-N 2.75Å; T90-A94 VanDerWaalsContact O-N 3.15Å; L91-A94 PolarHBondContact O-N 2.95Å; A94-L96 PolarHBondContact O-N 2.85Å; A94-L96 VanDerWaalsContact O-N 3.11Å; A94-S136 WeakPolarHBondContact CB-O 3.39Å
95	G	52.7	Low	72.7	Confident	43 Å²	43	64.4 Å²	64.4	44%	0.443	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-14.7	172.3	0	0	0	0	0	115.8	L91 H92 T93 N97	L91-G95 PolarHBondContact O-N 3.47Å; H92-G95 WeakPolarHBondContact O-CA 3.34Å; H92-G95 PolarHBondContact O-N 3.16Å; H92-G95 VanDerWaalsContact O-N 3.14Å; T93-G95 PolarHBondContact O-N 3.2Å; G95-N97 PolarHBondContact O-N 2.72Å
96	L	52.9	Low	72.6	Confident	99 Å²	99	66.5 Å²	66.5	52%	0.518	34%	0.339	S	S	.	.	S	Bend	trans	-70.4	26.4	174.5	-63.8	170.7	0	0	0	114	T93 A94 K98	T93-L96 HydrophobicContact CG2-CD1 4.38Å; T93-L96 WeakPolarHBondContact O-CB 2.98Å; T93-L96 WeakPolarHBondContact O-CG 3.27Å; T93-L96 PolarHBondContact O-N 2.83Å; A94-L96 PolarHBondContact O-N 2.85Å; A94-L96 VanDerWaalsContact O-N 3.11Å; L96-K98 PolarHBondContact O-N 2.89Å
97	N	56.5	Low	72.5	Confident	56 Å²	56	73.4 Å²	73.4	30%	0.299	37%	0.368	S	S	.	.	S	Bend	trans	53.9	12.6	-173.2	-67.8	-79.6	0	0	0	115.1	G95 F99	G95-N97 PolarHBondContact O-N 2.72Å; N97-F99 VanDerWaalsContact C-N 3.3Å; N97-F99 HydrophobicContact CB-CE2 4.43Å; N97-F99 PolarHBondContact O-N 3.45Å
98	K	70.1	Confident	72.7	Confident	111 Å²	111	71.2 Å²	71.2	48%	0.483	36%	0.355	S	S	.	.			trans	-90.6	55	180	-72.4	177.9	-176.8	173.2	0	111.1	L96 Y100	L96-K98 PolarHBondContact O-N 2.89Å; K98-Y100 HydrophobicContact CB-CE2 4.32Å; K98-Y100 WeakPolarHBondContact O-CD2 3.47Å; K98-Y100 VanDerWaalsContact O-CE2 3.22Å; K98-Y100 WeakPolarHBondContact O-CE2 3.37Å; K98-Y100 PolarHBondContact O-N 3.16Å
99	F	81.9	Confident	72.9	Confident	6 Å²	6	70.1 Å²	70.1	3%	0.026	34%	0.344	C	S	.	.			trans	-66.5	9	176.1	-53.2	-70.7	0	0	0	114.9	N97 I101 L125 L127 K132 L135 C139	N97-F99 VanDerWaalsContact C-N 3.3Å; N97-F99 HydrophobicContact CB-CE2 4.43Å; N97-F99 PolarHBondContact O-N 3.45Å; F99-I101 HydrophobicContact CB-CD1 3.79Å; F99-I101 HydrophobicContact CB-CG1 3.84Å; F99-I101 HydrophobicContact CG-CD1 4.46Å; F99-I101 PolarHBondContact O-N 3.44Å; F99-L125 HydrophobicContact CD2-CD1 4.09Å; F99-L127 HydrophobicContact CE2-CD1 4.45Å; F99-K132 WeakPolarHBondContact CE1-O 3.38Å; F99-K132 HydrophobicContact CE2-CG 4.26Å; F99-K132 HydrophobicContact CZ-CB 3.98Å; F99-K132 HydrophobicContact CZ-CG 3.94Å; F99-L135 HydrophobicContact CD1-CB 3.73Å; F99-L135 HydrophobicContact CE1-CB 3.86Å; F99-L135 HydrophobicContact CG-CB 4.36Å; F99-C139 HydrophobicContact CB-CB 4.49Å
100	Y	84.2	Confident	72.5	Confident	63 Å²	63	63.4 Å²	63.4	25%	0.247	32%	0.322	C	S	.	.			trans	46.2	25.5	-175.2	-65.9	-94.1	0	0	0	115.6	V40 K41 D42 P43 K98 K102 K171	V40-Y100 WeakPolarHBondContact CG1-OH 3.38Å; V40-Y100 PolarHBondContact O-OH 3.39Å; K41-Y100 PolarHBondContact O-OH 3.43Å; D42-Y100 HydrophobicContact CB-CD1 3.47Å; D42-Y100 VanDerWaalsContact CB-CD1 3.47Å; D42-Y100 HydrophobicContact CB-CE1 3.84Å; D42-Y100 HydrophobicContact CB-CG 4.06Å; P43-Y100 HydrophobicContact CG-CD2 4.18Å; P43-Y100 HydrophobicContact CG-CE2 4.36Å; K98-Y100 HydrophobicContact CB-CE2 4.32Å; K98-Y100 WeakPolarHBondContact O-CD2 3.47Å; K98-Y100 VanDerWaalsContact O-CE2 3.22Å; K98-Y100 WeakPolarHBondContact O-CE2 3.37Å; K98-Y100 PolarHBondContact O-N 3.16Å; Y100-K102 PolarHBondContact O-N 3.39Å; Y100-K171 WeakPolarHBondContact O-CE 3.42Å; Y100-K171 PolarHBondContact O-NZ 2.9Å
101	I	85.9	Confident	71.7	Confident	5 Å²	5	65.6 Å²	65.6	3%	0.026	33%	0.331	C	S	.	.			trans	-63.6	133.7	179.1	-64.6	166.1	0	0	0	110	F99 L105 R106 L109 L125 I163 N167	F99-I101 HydrophobicContact CB-CD1 3.79Å; F99-I101 HydrophobicContact CB-CG1 3.84Å; F99-I101 HydrophobicContact CG-CD1 4.46Å; F99-I101 PolarHBondContact O-N 3.44Å; I101-L105 HydrophobicContact CG2-CB 3.83Å; I101-L105 HydrophobicContact CG2-CD1 4.25Å; I101-R106 HydrophobicContact CB-CG 4.22Å; I101-R106 HydrophobicContact CG2-CG 3.91Å; I101-R106 PolarHBondContact O-NE 3.39Å; I101-R106 PolarHBondContact O-NH2 3.3Å; I101-R106 VanDerWaalsContact O-NH2 3.1Å; I101-L109 HydrophobicContact CD1-CD1 4.41Å; I101-L125 HydrophobicContact CD1-CD1 4.23Å; I101-I163 HydrophobicContact CD1-CG2 3.72Å; I101-I163 HydrophobicContact CG1-CG2 4.09Å; I101-N167 WeakPolarHBondContact CA-OD1 3.35Å
102	K	87	Confident	70.1	Confident	53 Å²	53	68.8 Å²	68.8	23%	0.23	35%	0.354	C	S	.	.			trans	-59.8	141.3	178	-73.5	-84.8	172.4	166.7	0	112.4	Y100 A104 L105 R106 N167 L170 K171 T174	Y100-K102 PolarHBondContact O-N 3.39Å; K102-A104 PolarHBondContact O-N 3.09Å; K102-L105 PolarHBondContact O-N 2.94Å; K102-R106 PolarHBondContact O-N 3.26Å; K102-N167 WeakPolarHBondContact CG-OD1 3.39Å; K102-N167 PolarHBondContact N-OD1 2.86Å; K102-L170 HydrophobicContact CB-CB 4.35Å; K102-L170 HydrophobicContact CB-CD1 4.36Å; K102-L170 HydrophobicContact CG-CB 3.93Å; K102-K171 HydrophobicContact CD-CG 4.42Å; K102-K171 HydrophobicContact CG-CG 4.17Å; K102-T174 VanDerWaalsContact NZ-CB 3.33Å; K102-T174 PolarHBondContact NZ-OG1 3.45Å
103	K	84.6	Confident	68.7	Low	181 Å²	181	70.5 Å²	70.5	79%	0.787	37%	0.367	S	S	*	.	H	α-helix	trans	-51.7	-30	-179.5	-70	-172.9	178.1	-177.2	0	114
104	A	83.2	Confident	67.9	Low	55 Å²	55	73.9 Å²	73.9	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-61.3	-45.8	177.5	0	0	0	0	0	112.8	K102 L170	K102-A104 PolarHBondContact O-N 3.09Å; A104-L170 HydrophobicContact CB-CD1 4.35Å
105	L	85.1	Confident	66.8	Low	0 Å²	0	78 Å²	78	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-76.2	-36.8	-179.8	-56.8	175.5	0	0	0	111.7	I101 K102 K107 H108 L109 L166 N167 L170 L225 L226	I101-L105 HydrophobicContact CG2-CB 3.83Å; I101-L105 HydrophobicContact CG2-CD1 4.25Å; K102-L105 PolarHBondContact O-N 2.94Å; L105-K107 PolarHBondContact O-N 3.39Å; L105-K107 VanDerWaalsContact O-N 3.14Å; L105-H108 PolarHBondContact O-N 3.46Å; L105-H108 VanDerWaalsContact O-N 3.15Å; L105-L109 PolarHBondContact O-N 2.79Å; L105-L166 HydrophobicContact CD1-CB 3.79Å; L105-L166 HydrophobicContact CD2-CB 3.97Å; L105-L166 HydrophobicContact CD2-CD1 3.86Å; L105-N167 HydrophobicContact CD1-CB 3.96Å; L105-L170 HydrophobicContact CD1-CD1 4.01Å; L105-L170 HydrophobicContact CD2-CD1 3.96Å; L105-L170 HydrophobicContact CG-CD1 3.77Å; L105-L225 HydrophobicContact CD2-CB 4.3Å; L105-L226 HydrophobicContact CD2-CD2 4.07Å
106	R	83.9	Confident	65.8	Low	78 Å²	78	80.7 Å²	80.7	29%	0.294	43%	0.429	S	S	.	.	H	α-helix	trans	-56.6	-31.6	179.6	-64.7	-163.9	-163.7	-159.6	1.7	113.2	I101 K102 H108 L109 Q110 L125	I101-R106 HydrophobicContact CB-CG 4.22Å; I101-R106 HydrophobicContact CG2-CG 3.91Å; I101-R106 PolarHBondContact O-NE 3.39Å; I101-R106 PolarHBondContact O-NH2 3.3Å; I101-R106 VanDerWaalsContact O-NH2 3.1Å; K102-R106 PolarHBondContact O-N 3.26Å; R106-H108 VanDerWaalsContact C-N 3.31Å; R106-H108 PolarHBondContact O-N 3.39Å; R106-L109 PolarHBondContact O-N 2.87Å; R106-Q110 WeakPolarHBondContact O-CG 3.43Å; R106-Q110 PolarHBondContact O-N 3.07Å; R106-L125 HydrophobicContact CB-CD2 4.27Å; R106-L125 HydrophobicContact CG-CD2 4.16Å
107	K	81.7	Confident	64.9	Low	150 Å²	150	84.3 Å²	84.3	65%	0.652	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-40.6	178.2	-74.7	-171.8	172.2	-159.3	0	113.3	L105	L105-K107 PolarHBondContact O-N 3.39Å; L105-K107 VanDerWaalsContact O-N 3.14Å
108	H	80.4	Confident	63.6	Low	51 Å²	51	87.1 Å²	87.1	24%	0.236	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-7.9	-177	-50.4	136.5	0	0	0	112.5	L105 R106 Q110 L225 L226	L105-H108 PolarHBondContact O-N 3.46Å; L105-H108 VanDerWaalsContact O-N 3.15Å; R106-H108 VanDerWaalsContact C-N 3.31Å; R106-H108 PolarHBondContact O-N 3.39Å; H108-Q110 VanDerWaalsContact C-N 3.3Å; H108-L225 PolarHBondContact ND1-O 2.84Å; H108-L226 PolarHBondContact CE1-O 2.88Å; H108-L226 VanDerWaalsContact CE1-O 3.32Å
109	L	78.5	Confident	61.9	Low	12 Å²	12	88.6 Å²	88.6	6%	0.063	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	6.8	166.6	-65.5	172.6	0	0	0	113.1	I101 L105 R106 L125 N126 L127 I163 L225	I101-L109 HydrophobicContact CD1-CD1 4.41Å; L105-L109 PolarHBondContact O-N 2.79Å; R106-L109 PolarHBondContact O-N 2.87Å; L109-L125 HydrophobicContact CB-CD2 3.92Å; L109-L125 HydrophobicContact CD1-CD2 4.4Å; L109-N126 PolarHBondContact O-N 3.11Å; L109-L127 HydrophobicContact CD2-CD2 4.09Å; L109-I163 HydrophobicContact CD1-CD1 4.12Å; L109-I163 HydrophobicContact CD1-CG1 4.28Å; L109-I163 HydrophobicContact CD2-CD1 3.93Å; L109-I163 HydrophobicContact CD2-CG1 4.38Å; L109-L225 HydrophobicContact CD2-CD2 3.47Å; L109-L225 VanDerWaalsContact CD2-CD2 3.47Å; L109-L225 HydrophobicContact CG-CD2 3.96Å
110	Q	64.6	Low	59.5	Low	73 Å²	73	93.1 Å²	93.1	34%	0.341	52%	0.519	S	S	.	.			trans	-128.8	83.8	-177.3	-73.6	179.5	-24.8	0	0	109.4	R106 H108 K123 L125	R106-Q110 WeakPolarHBondContact O-CG 3.43Å; R106-Q110 PolarHBondContact O-N 3.07Å; H108-Q110 VanDerWaalsContact C-N 3.3Å; Q110-K123 PolarHBondContact NE2-O 3.14Å; Q110-K123 VanDerWaalsContact NE2-O 3.14Å; Q110-L125 HydrophobicContact CG-CD2 4.26Å
111	L	51.7	Low	57.2	Low	111 Å²	111	95.5 Å²	95.5	58%	0.581	55%	0.545	S	S	*	.			trans	-138.5	84.7	-179	-81.8	171.2	0	0	0	111	N126	L111-N126 PolarHBondContact O-ND2 2.92Å
112	S	38.8	Very low	55.2	Low	74 Å²	74	99.6 Å²	99.6	52%	0.517	57%	0.567	S	S	.	*			trans	-158	135.1	157.6	48.7	0	0	0	0	107.9	D114 N126	S112-D114 VanDerWaalsContact C-N 3.35Å; S112-D114 PolarHBondContact O-N 2.93Å; S112-N126 PolarHBondContact OG-ND2 3Å
113	N	32.1	Very low	53.4	Low	166 Å²	166	105 Å²	105	89%	0.888	59%	0.59	S	S	*	*			trans	-92.6	49.6	-165.6	-78.6	-13.3	0	0	0	113.7	A115	N113-A115 PolarHBondContact O-N 3.25Å
114	D	35.4	Very low	52.2	Low	140 Å²	140	104.1 Å²	104.1	75%	0.749	59%	0.586	S	S	*	*			trans	-88	91.6	175	-61.5	-58.6	0	0	0	110.2	S112 S116	S112-D114 VanDerWaalsContact C-N 3.35Å; S112-D114 PolarHBondContact O-N 2.93Å; D114-S116 PolarHBondContact O-N 3.07Å
115	A	31.6	Very low	51.6	Low	111 Å²	111	102 Å²	102	92%	0.917	57%	0.567	S	S	*	*			trans	-76.5	40.6	177.1	0	0	0	0	0	112.6	N113	N113-A115 PolarHBondContact O-N 3.25Å
116	S	31.2	Very low	51.4	Low	99 Å²	99	105.9 Å²	105.9	69%	0.692	59%	0.588	S	S	*	*			trans	-150.8	62.4	-170.2	-178	0	0	0	0	112.8	D114	D114-S116 PolarHBondContact O-N 3.07Å
117	E	34	Very low	51.5	Low	176 Å²	176	102.7 Å²	102.7	82%	0.822	58%	0.577	S	S	*	*			trans	-172.3	110.7	145.3	-110.2	167.8	-153.9	0	0	109.7	D119	E117-D119 PolarHBondContact O-N 3.05Å
118	A	30.3	Very low	51.8	Low	114 Å²	114	98 Å²	98	94%	0.942	56%	0.561	S	S	*	*			trans	-97.6	55.2	-177.6	0	0	0	0	0	112
119	D	34.6	Very low	52.3	Low	143 Å²	143	101 Å²	101	77%	0.765	58%	0.578	S	S	*	*			trans	-100.3	146.3	167	-166.6	21.8	0	0	0	112.5	E117	E117-D119 PolarHBondContact O-N 3.05Å
120	S	31.5	Very low	52.9	Low	100 Å²	100	100.7 Å²	100.7	70%	0.699	58%	0.577	S	S	*	*			trans	-116.3	94.8	-152.4	64.7	0	0	0	0	113.1
121	S	35.8	Very low	54.2	Low	113 Å²	113	97.9 Å²	97.9	79%	0.79	56%	0.563	S	S	*	*	S	Bend	trans	165	-25.4	142.4	49.8	0	0	0	0	113.5
122	L	44.1	Very low	56	Low	91 Å²	91	95.3 Å²	95.3	48%	0.476	55%	0.548	S	S	.	.			trans	-122	64.8	-175.4	-74	172.6	0	0	0	112.3	K124	L122-K124 PolarHBondContact O-N 2.83Å
123	K	47.2	Very low	58.5	Low	167 Å²	167	92.7 Å²	92.7	73%	0.726	53%	0.527	S	S	*	.			trans	-55.8	111.1	168	-69.4	-161.1	174.3	-159.2	0	109.4	Q110	Q110-K123 PolarHBondContact NE2-O 3.14Å; Q110-K123 VanDerWaalsContact NE2-O 3.14Å
124	K	60.2	Low	61.4	Low	163 Å²	163	84.8 Å²	84.8	71%	0.709	49%	0.485	S	S	*	.			trans	-49.8	139.7	-175.3	-66.9	166.9	-177	161.4	0	110.2	L122	L122-K124 PolarHBondContact O-N 2.83Å
125	L	70	Confident	64.1	Low	9 Å²	9	78.1 Å²	78.1	5%	0.047	45%	0.45	C	S	.	.			trans	-90.9	136.4	171.5	-67.5	168.4	0	0	0	108.3	F99 I101 R106 L109 Q110 L127	F99-L125 HydrophobicContact CD2-CD1 4.09Å; I101-L125 HydrophobicContact CD1-CD1 4.23Å; R106-L125 HydrophobicContact CB-CD2 4.27Å; R106-L125 HydrophobicContact CG-CD2 4.16Å; L109-L125 HydrophobicContact CB-CD2 3.92Å; L109-L125 HydrophobicContact CD1-CD2 4.4Å; Q110-L125 HydrophobicContact CG-CD2 4.26Å; L125-L127 HydrophobicContact CB-CD1 3.81Å; L125-L127 HydrophobicContact CB-CG 4.01Å; L125-L127 HydrophobicContact CD1-CD1 4.02Å; L125-L127 PolarHBondContact O-N 2.87Å
126	N	81.7	Confident	66.9	Low	82 Å²	82	73.1 Å²	73.1	44%	0.439	41%	0.408	S	S	.	.			trans	-78.5	74.2	178.4	-68.6	4.2	0	0	0	109.1	L109 L111 S112	L109-N126 PolarHBondContact O-N 3.11Å; L111-N126 PolarHBondContact O-ND2 2.92Å; S112-N126 PolarHBondContact OG-ND2 3Å
127	L	85.3	Confident	69.8	Low	11 Å²	11	68.4 Å²	68.4	6%	0.058	38%	0.375	C	S	.	.			trans	-125.2	140.9	179.4	-64.8	170.6	0	0	0	109.3	F99 L109 L125 Q131 K132 L135 I163	F99-L127 HydrophobicContact CE2-CD1 4.45Å; L109-L127 HydrophobicContact CD2-CD2 4.09Å; L125-L127 HydrophobicContact CB-CD1 3.81Å; L125-L127 HydrophobicContact CB-CG 4.01Å; L125-L127 HydrophobicContact CD1-CD1 4.02Å; L125-L127 PolarHBondContact O-N 2.87Å; L127-Q131 VanDerWaalsContact CA-OE1 3.31Å; L127-Q131 HydrophobicContact CB-CB 4.18Å; L127-Q131 HydrophobicContact CD2-CB 4.31Å; L127-K132 HydrophobicContact CB-CG 4.08Å; L127-K132 WeakPolarHBondContact O-CE 3.34Å; L127-K132 PolarHBondContact O-NZ 2.85Å; L127-L135 HydrophobicContact CD1-CD1 3.82Å; L127-L135 HydrophobicContact CD2-CD1 4.42Å; L127-I163 HydrophobicContact CD2-CD1 3.67Å
128	T	89.8	Confident	72.7	Confident	53 Å²	53	60.1 Å²	60.1	33%	0.325	34%	0.336	S	S	.	.			trans	-67.4	172	174	75.4	0	0	0	0	111.4	L130 Q131 K132 E156	T128-L130 PolarHBondContact OG1-N 3.21Å; T128-Q131 HydrophobicContact CG2-CG 4.5Å; T128-Q131 VanDerWaalsContact OG1-CG 3.26Å; T128-Q131 WeakPolarHBondContact OG1-CG 3.43Å; T128-Q131 PolarHBondContact OG1-N 2.86Å; T128-K132 WeakPolarHBondContact O-CD 3.5Å; T128-K132 VanDerWaalsContact O-CG 3.3Å; T128-K132 WeakPolarHBondContact O-CG 3.49Å; T128-K132 PolarHBondContact O-N 3.25Å; T128-K132 VanDerWaalsContact O-N 3.07Å; T128-E156 VanDerWaalsContact CB-OE2 3.25Å; T128-E156 WeakPolarHBondContact CB-OE2 3.3Å; T128-E156 HydrophobicContact CG2-CG 4.21Å; T128-E156 VanDerWaalsContact CG2-OE2 3.25Å; T128-E156 WeakPolarHBondContact CG2-OE2 3.47Å; T128-E156 PolarHBondContact OG1-OE2 2.83Å
129	L	89.3	Confident	75.7	Confident	114 Å²	114	55 Å²	55	60%	0.597	29%	0.293	S	S	*	.	H	α-helix	trans	-65.2	-43.2	174	-59.8	177.7	0	0	0	111.1	T77 Q131 K132 D133	T77-L129 HydrophobicContact CG2-CB 4.38Å; T77-L129 VanDerWaalsContact OG1-C 3.23Å; T77-L129 WeakPolarHBondContact OG1-CB 3.33Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 3.27Å; L129-K132 PolarHBondContact O-N 3.27Å; L129-K132 VanDerWaalsContact O-N 3.14Å; L129-D133 VanDerWaalsContact O-CG 3.31Å; L129-D133 PolarHBondContact O-N 2.88Å
130	L	91.1	Very high	78.3	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-43.8	175.6	-179.1	62.8	0	0	0	112.1	T77 V78 T128 K132 D133 I134 Y146 Q153	T77-L130 HydrophobicContact CG2-CB 3.93Å; T77-L130 PolarHBondContact OG1-N 3.28Å; V78-L130 HydrophobicContact CG2-CD1 3.94Å; T128-L130 PolarHBondContact OG1-N 3.21Å; L130-K132 VanDerWaalsContact C-N 3.34Å; L130-K132 PolarHBondContact O-N 3.16Å; L130-D133 PolarHBondContact O-N 3.13Å; L130-I134 HydrophobicContact CD1-CD1 3.77Å; L130-I134 HydrophobicContact CD1-CG1 4.17Å; L130-I134 HydrophobicContact CG-CD1 3.92Å; L130-I134 WeakPolarHBondContact O-CG1 3.35Å; L130-I134 PolarHBondContact O-N 3.09Å; L130-Y146 HydrophobicContact CD1-CE2 4.43Å; L130-Y146 WeakPolarHBondContact CD1-OH 3.38Å; L130-Q153 HydrophobicContact CD2-CB 4.03Å; L130-Q153 HydrophobicContact CD2-CG 3.72Å
131	Q	92.7	Very high	81.3	Confident	14 Å²	14	44.1 Å²	44.1	7%	0.065	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-40.7	176.7	-68.3	179.9	-38.2	0	0	111.9	L127 T128 L129 L135 E156 V160	L127-Q131 VanDerWaalsContact CA-OE1 3.31Å; L127-Q131 HydrophobicContact CB-CB 4.18Å; L127-Q131 HydrophobicContact CD2-CB 4.31Å; T128-Q131 HydrophobicContact CG2-CG 4.5Å; T128-Q131 VanDerWaalsContact OG1-CG 3.26Å; T128-Q131 WeakPolarHBondContact OG1-CG 3.43Å; T128-Q131 PolarHBondContact OG1-N 2.86Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 3.27Å; Q131-L135 WeakPolarHBondContact O-CB 3.34Å; Q131-L135 WeakPolarHBondContact O-CD1 3.44Å; Q131-L135 WeakPolarHBondContact O-CG 2.97Å; Q131-L135 PolarHBondContact O-N 3.15Å; Q131-E156 HydrophobicContact CG-CB 3.98Å; Q131-E156 HydrophobicContact CG-CG 4.48Å; Q131-E156 PolarHBondContact NE2-O 2.84Å; Q131-V160 HydrophobicContact CB-CG2 3.87Å; Q131-V160 HydrophobicContact CG-CG2 3.72Å
132	K	90.4	Very high	84.1	Confident	57 Å²	57	39.6 Å²	39.6	25%	0.248	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-43.8	176.6	-74.8	163.8	175.3	139.2	0	112	F99 L127 T128 L129 L130 L135 S136	F99-K132 WeakPolarHBondContact CE1-O 3.38Å; F99-K132 HydrophobicContact CE2-CG 4.26Å; F99-K132 HydrophobicContact CZ-CB 3.98Å; F99-K132 HydrophobicContact CZ-CG 3.94Å; L127-K132 HydrophobicContact CB-CG 4.08Å; L127-K132 WeakPolarHBondContact O-CE 3.34Å; L127-K132 PolarHBondContact O-NZ 2.85Å; T128-K132 WeakPolarHBondContact O-CD 3.5Å; T128-K132 VanDerWaalsContact O-CG 3.3Å; T128-K132 WeakPolarHBondContact O-CG 3.49Å; T128-K132 PolarHBondContact O-N 3.25Å; T128-K132 VanDerWaalsContact O-N 3.07Å; L129-K132 PolarHBondContact O-N 3.27Å; L129-K132 VanDerWaalsContact O-N 3.14Å; L130-K132 VanDerWaalsContact C-N 3.34Å; L130-K132 PolarHBondContact O-N 3.16Å; K132-L135 PolarHBondContact O-N 3.41Å; K132-S136 WeakPolarHBondContact O-CB 3.41Å; K132-S136 PolarHBondContact O-N 3.22Å
133	D	90.1	Very high	86.6	Confident	18 Å²	18	35.2 Å²	35.2	10%	0.096	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-51.1	179	-68.6	-11	0	0	0	111.2	T77 V78 L129 L130 L135 S136 I137	T77-D133 WeakPolarHBondContact CA-OD2 3.47Å; T77-D133 WeakPolarHBondContact CB-OD2 3.39Å; T77-D133 PolarHBondContact N-OD2 2.83Å; T77-D133 PolarHBondContact OG1-OD2 3.36Å; V78-D133 HydrophobicContact CB-CB 4.42Å; V78-D133 HydrophobicContact CG2-CB 3.66Å; V78-D133 PolarHBondContact N-OD2 2.9Å; L129-D133 VanDerWaalsContact O-CG 3.31Å; L129-D133 PolarHBondContact O-N 2.88Å; L130-D133 PolarHBondContact O-N 3.13Å; D133-L135 PolarHBondContact O-N 2.72Å; D133-S136 WeakPolarHBondContact O-CB 3.33Å; D133-S136 PolarHBondContact O-N 3.24Å; D133-S136 VanDerWaalsContact O-N 3.15Å; D133-S136 PolarHBondContact O-OG 3.07Å; D133-I137 PolarHBondContact O-N 3.16Å
134	I	93.2	Very high	88.9	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-42.7	178.5	-60.7	172.3	0	0	0	110.6	V78 L130 S136 I137 I138 M144 L157 V160 F393	V78-I134 HydrophobicContact CG2-CG1 3.74Å; L130-I134 HydrophobicContact CD1-CD1 3.77Å; L130-I134 HydrophobicContact CD1-CG1 4.17Å; L130-I134 HydrophobicContact CG-CD1 3.92Å; L130-I134 WeakPolarHBondContact O-CG1 3.35Å; L130-I134 PolarHBondContact O-N 3.09Å; I134-S136 VanDerWaalsContact C-N 3.26Å; I134-S136 PolarHBondContact O-N 3.44Å; I134-I137 PolarHBondContact O-N 3.46Å; I134-I138 HydrophobicContact CG2-CD1 4.3Å; I134-I138 HydrophobicContact CG2-CG2 4.29Å; I134-I138 PolarHBondContact O-N 3.14Å; I134-M144 HydrophobicContact CB-CE 4.5Å; I134-M144 HydrophobicContact CG1-CE 3.97Å; I134-M144 HydrophobicContact CG2-CE 4.24Å; I134-M144 HydrophobicContact CG2-SD 3.87Å; I134-L157 HydrophobicContact CD1-CD2 3.43Å; I134-L157 VanDerWaalsContact CD1-CD2 3.43Å; I134-V160 HydrophobicContact CB-CG1 4.31Å; I134-V160 HydrophobicContact CG2-CG1 3.68Å; I134-F393 HydrophobicContact CD1-CE1 4.43Å; I134-F393 HydrophobicContact CG2-CE1 4.21Å; I134-F393 HydrophobicContact CG2-CZ 4.29Å
135	L	93	Very high	90.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.7	-27.8	175.9	-72.9	167.9	0	0	0	113	F99 L127 Q131 K132 D133 I137 I138 C139 V160 I163	F99-L135 HydrophobicContact CD1-CB 3.73Å; F99-L135 HydrophobicContact CE1-CB 3.86Å; F99-L135 HydrophobicContact CG-CB 4.36Å; L127-L135 HydrophobicContact CD1-CD1 3.82Å; L127-L135 HydrophobicContact CD2-CD1 4.42Å; Q131-L135 WeakPolarHBondContact O-CB 3.34Å; Q131-L135 WeakPolarHBondContact O-CD1 3.44Å; Q131-L135 WeakPolarHBondContact O-CG 2.97Å; Q131-L135 PolarHBondContact O-N 3.15Å; K132-L135 PolarHBondContact O-N 3.41Å; D133-L135 PolarHBondContact O-N 2.72Å; L135-I137 VanDerWaalsContact C-N 3.29Å; L135-I137 PolarHBondContact O-N 2.89Å; L135-I138 HydrophobicContact CD2-CD1 4.36Å; L135-I138 HydrophobicContact CD2-CG1 4.31Å; L135-C139 WeakPolarHBondContact O-CB 3.43Å; L135-C139 PolarHBondContact O-N 2.53Å; L135-V160 HydrophobicContact CD2-CG1 4.03Å; L135-V160 HydrophobicContact CG-CG1 4.17Å; L135-V160 HydrophobicContact CG-CG2 4.32Å; L135-I163 HydrophobicContact CD1-CD1 4.16Å; L135-I163 HydrophobicContact CD1-CG2 4.42Å; L135-I163 HydrophobicContact CD2-CB 4.43Å; L135-I163 HydrophobicContact CD2-CG2 3.91Å
136	S	89.8	Confident	91.9	Very high	7 Å²	7	19.1 Å²	19.1	5%	0.049	10%	0.104	C	C	.	.	H	α-helix	trans	-64.5	-35.1	175.5	80.6	0	0	0	0	112.2	A94 K132 D133 I134	A94-S136 WeakPolarHBondContact CB-O 3.39Å; K132-S136 WeakPolarHBondContact O-CB 3.41Å; K132-S136 PolarHBondContact O-N 3.22Å; D133-S136 WeakPolarHBondContact O-CB 3.33Å; D133-S136 PolarHBondContact O-N 3.24Å; D133-S136 VanDerWaalsContact O-N 3.15Å; D133-S136 PolarHBondContact O-OG 3.07Å; I134-S136 VanDerWaalsContact C-N 3.26Å; I134-S136 PolarHBondContact O-N 3.44Å
137	I	92	Very high	92.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-76.7	-61.8	173.6	-57.6	161.5	0	0	0	109.2	L75 L91 D133 I134 L135 C139 G140 H142 M144 V416	L75-I137 HydrophobicContact CD1-CD1 3.79Å; L75-I137 HydrophobicContact CD1-CG1 4.4Å; L91-I137 HydrophobicContact CD2-CB 4.4Å; L91-I137 HydrophobicContact CD2-CG1 3.84Å; D133-I137 PolarHBondContact O-N 3.16Å; I134-I137 PolarHBondContact O-N 3.46Å; L135-I137 VanDerWaalsContact C-N 3.29Å; L135-I137 PolarHBondContact O-N 2.89Å; I137-C139 PolarHBondContact O-N 2.86Å; I137-G140 WeakPolarHBondContact O-CA 3.28Å; I137-G140 PolarHBondContact O-N 3.33Å; I137-H142 HydrophobicContact CG2-CB 3.89Å; I137-H142 PolarHBondContact O-CD2 3.05Å; I137-M144 HydrophobicContact CB-SD 4.14Å; I137-M144 HydrophobicContact CD1-CE 3.66Å; I137-M144 HydrophobicContact CD1-CG 4.5Å; I137-M144 HydrophobicContact CD1-SD 3.63Å; I137-M144 HydrophobicContact CG2-CB 4.16Å; I137-M144 HydrophobicContact CG2-CG 4.38Å; I137-M144 HydrophobicContact CG2-SD 4.1Å; I137-V416 HydrophobicContact CD1-CB 4.33Å; I137-V416 HydrophobicContact CD1-CG1 4.05Å; I137-V416 HydrophobicContact CD1-CG2 4.38Å; I137-V416 HydrophobicContact CG1-CG2 4.28Å; I137-V416 HydrophobicContact CG2-CB 4.18Å; I137-V416 HydrophobicContact CG2-CG2 3.77Å
138	I	94.5	Very high	92.7	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-74.3	-26.5	-164.3	73.4	175	0	0	0	113.4	I134 L135 G140 Y141 M144 V160 H164 Q389 I391	I134-I138 HydrophobicContact CG2-CD1 4.3Å; I134-I138 HydrophobicContact CG2-CG2 4.29Å; I134-I138 PolarHBondContact O-N 3.14Å; L135-I138 HydrophobicContact CD2-CD1 4.36Å; L135-I138 HydrophobicContact CD2-CG1 4.31Å; I138-G140 PolarHBondContact O-N 2.96Å; I138-Y141 PolarHBondContact O-N 2.91Å; I138-Y141 VanDerWaalsContact O-N 3.08Å; I138-M144 HydrophobicContact CG2-CB 4.15Å; I138-M144 HydrophobicContact CG2-SD 3.92Å; I138-V160 HydrophobicContact CD1-CG1 3.53Å; I138-H164 HydrophobicContact CD1-CB 3.67Å; I138-H164 HydrophobicContact CG1-CB 4.33Å; I138-H164 PolarHBondContact O-CE1 3.44Å; I138-Q389 PolarHBondContact O-NE2 3.43Å; I138-I391 HydrophobicContact CB-CD1 3.93Å; I138-I391 HydrophobicContact CD1-CD1 4.17Å; I138-I391 HydrophobicContact CG2-CD1 3.86Å; I138-I391 HydrophobicContact CG2-CG1 4.25Å; I138-I391 HydrophobicContact CG2-CG2 4.43Å
139	C	92.6	Very high	92.9	Very high	6 Å²	6	15.4 Å²	15.4	4%	0.041	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-12.3	172	-67.3	0	0	0	0	113.3	P43 F99 L135 I137	P43-C139 WeakPolarHBondContact CB-O 3.32Å; F99-C139 HydrophobicContact CB-CB 4.49Å; L135-C139 WeakPolarHBondContact O-CB 3.43Å; L135-C139 PolarHBondContact O-N 2.53Å; I137-C139 PolarHBondContact O-N 2.86Å
140	G	90.8	Very high	93	Very high	15 Å²	15	12.3 Å²	12.3	16%	0.155	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-0.2	165.3	0	0	0	0	0	113.6	I137 I138 H142	I137-G140 WeakPolarHBondContact O-CA 3.28Å; I137-G140 PolarHBondContact O-N 3.33Å; I138-G140 PolarHBondContact O-N 2.96Å; G140-H142 PolarHBondContact O-N 2.87Å
141	Y	94.2	Very high	93	Very high	1 Å²	1	15 Å²	15	0%	0.004	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	15.6	-172.7	-74.8	-81.7	0	0	0	115.7	F44 H47 F48 I138 H164 H168 V336 Q389 N411	F44-Y141 HydrophobicContact CB-CD2 4.42Å; F44-Y141 HydrophobicContact CB-CE2 3.77Å; F44-Y141 AromaticContact CD2-CE2 3.93Å; F44-Y141 HydrophobicContact CD2-CE2 3.93Å; F44-Y141 AromaticContact CD2-CZ 3.82Å; F44-Y141 HydrophobicContact CG-CE2 4.36Å; H47-Y141 HydrophobicContact CB-CD2 4.42Å; H47-Y141 HydrophobicContact CB-CG 4.26Å; H47-Y141 VanDerWaalsContact CG-CB 3.46Å; F48-Y141 AromaticContact CE2-CD1 3.7Å; F48-Y141 HydrophobicContact CE2-CD1 3.7Å; F48-Y141 HydrophobicContact CE2-CD2 4.45Å; F48-Y141 AromaticContact CE2-CE1 3.64Å; F48-Y141 HydrophobicContact CE2-CE1 3.64Å; F48-Y141 HydrophobicContact CE2-CE2 4.39Å; F48-Y141 HydrophobicContact CE2-CG 4.14Å; F48-Y141 AromaticContact CZ-CD1 3.83Å; F48-Y141 HydrophobicContact CZ-CD1 3.83Å; F48-Y141 AromaticContact CZ-CE1 3.96Å; F48-Y141 HydrophobicContact CZ-CE1 3.96Å; I138-Y141 PolarHBondContact O-N 2.91Å; I138-Y141 VanDerWaalsContact O-N 3.08Å; Y141-H164 AromaticContact CE1-CE1 3.68Å; Y141-H164 AromaticContact CE1-NE2 3.98Å; Y141-H164 AromaticContact CZ-CE1 3.71Å; Y141-H168 AromaticContact CE1-ND1 3.69Å; Y141-H168 AromaticContact CZ-ND1 3.89Å; Y141-H168 WeakPolarHBondContact OH-CB 3.35Å; Y141-H168 PolarHBondContact OH-ND1 3.4Å; Y141-V336 HydrophobicContact CE1-CG2 4.16Å; Y141-Q389 HydrophobicContact CD1-CB 4.37Å; Y141-Q389 VanDerWaalsContact CD1-OE1 3.23Å; Y141-N411 PolarHBondContact O-ND2 3.34Å
142	H	94.2	Very high	92.9	Very high	17 Å²	17	18.9 Å²	18.9	8%	0.079	11%	0.11	C	C	.	.			trans	-69.2	146.2	171.6	-54.8	-55.7	0	0	0	112.9	I86 I137 G140 Q389 A413	I86-H142 HydrophobicContact CD1-CB 3.57Å; I86-H142 VanDerWaalsContact CD1-CG 3.44Å; I137-H142 HydrophobicContact CG2-CB 3.89Å; I137-H142 PolarHBondContact O-CD2 3.05Å; G140-H142 PolarHBondContact O-N 2.87Å; H142-Q389 WeakPolarHBondContact O-CG 3.47Å; H142-Q389 PolarHBondContact O-NE2 3.35Å; H142-A413 PolarHBondContact CE1-O 2.65Å; H142-A413 PolarHBondContact ND1-O 2.87Å
143	D	96.6	Very high	92.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	148	171.1	-77.2	2.5	0	0	0	111.2	Q389 T390 F405 A409 N411 G414 C415 V416	D143-Q389 VanDerWaalsContact OD1-CA 3.26Å; D143-Q389 WeakPolarHBondContact OD1-CA 3.5Å; D143-T390 CarbonylContact C-O 3.28Å; D143-T390 VanDerWaalsContact CA-O 3.32Å; D143-T390 WeakPolarHBondContact CA-O 3.41Å; D143-T390 WeakPolarHBondContact CB-O 3.36Å; D143-T390 PolarHBondContact OD1-N 3.31Å; D143-F405 HydrophobicContact CB-CE2 4.15Å; D143-F405 HydrophobicContact CB-CZ 3.88Å; D143-A409 HydrophobicContact CB-CB 4.45Å; D143-A409 VanDerWaalsContact OD2-CA 3.24Å; D143-A409 WeakPolarHBondContact OD2-CA 3.16Å; D143-A409 WeakPolarHBondContact OD2-CB 3.35Å; D143-N411 HydrophobicContact CB-CB 4.32Å; D143-N411 WeakPolarHBondContact OD1-CB 3.33Å; D143-N411 PolarHBondContact OD1-ND2 3.13Å; D143-N411 WeakPolarHBondContact OD2-CB 3.49Å; D143-G414 PolarHBondContact N-O 2.89Å; D143-C415 HydrophobicContact CB-CB 3.57Å; D143-C415 CarbonylContact O-C 3.46Å; D143-C415 VanDerWaalsContact O-CA 3.29Å; D143-C415 WeakPolarHBondContact O-CA 3.14Å; D143-V416 PolarHBondContact O-N 3Å
144	M	96.1	Very high	93	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	127.2	-177.7	-172.5	172.5	179.2	0	0	112.8	V78 I134 I137 I138 Y146 T390 I391 I392 V416	V78-M144 HydrophobicContact CG1-CE 4.34Å; V78-M144 HydrophobicContact CG2-CE 4.45Å; I134-M144 HydrophobicContact CB-CE 4.5Å; I134-M144 HydrophobicContact CG1-CE 3.97Å; I134-M144 HydrophobicContact CG2-CE 4.24Å; I134-M144 HydrophobicContact CG2-SD 3.87Å; I137-M144 HydrophobicContact CB-SD 4.14Å; I137-M144 HydrophobicContact CD1-CE 3.66Å; I137-M144 HydrophobicContact CD1-CG 4.5Å; I137-M144 HydrophobicContact CD1-SD 3.63Å; I137-M144 HydrophobicContact CG2-CB 4.16Å; I137-M144 HydrophobicContact CG2-CG 4.38Å; I137-M144 HydrophobicContact CG2-SD 4.1Å; I138-M144 HydrophobicContact CG2-CB 4.15Å; I138-M144 HydrophobicContact CG2-SD 3.92Å; M144-Y146 HydrophobicContact CE-CD2 3.71Å; M144-Y146 HydrophobicContact CE-CG 4.13Å; M144-T390 PolarHBondContact N-O 3.04Å; M144-I391 HydrophobicContact CB-CG2 4.49Å; M144-I391 CarbonylContact O-C 3.35Å; M144-I391 WeakPolarHBondContact O-CA 3.32Å; M144-I392 PolarHBondContact O-N 3.21Å; M144-V416 CarbonylContact C-O 3.59Å; M144-V416 VanDerWaalsContact CA-O 3.3Å; M144-V416 WeakPolarHBondContact CA-O 3.46Å
145	F	96.7	Very high	92.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.7	164.9	179.2	-152.3	0	0	0	109.3	A147 I392 T397 I401 Q402 F405 V416 I417 A418	F145-A147 HydrophobicContact CE2-CB 4.04Å; F145-A147 HydrophobicContact CZ-CB 3.98Å; F145-I392 WeakPolarHBondContact CA-O 3.4Å; F145-I392 HydrophobicContact CD2-CB 3.9Å; F145-I392 HydrophobicContact CD2-CG2 3.86Å; F145-I392 HydrophobicContact CE2-CG2 4.06Å; F145-T397 HydrophobicContact CE1-CG2 4.19Å; F145-T397 HydrophobicContact CZ-CG2 4.36Å; F145-I401 HydrophobicContact CD2-CG2 4.39Å; F145-I401 HydrophobicContact CE1-CG2 4.44Å; F145-I401 HydrophobicContact CE2-CG2 3.55Å; F145-I401 HydrophobicContact CZ-CB 4.24Å; F145-I401 HydrophobicContact CZ-CG2 3.59Å; F145-Q402 HydrophobicContact CE1-CB 4.18Å; F145-F405 HydrophobicContact CB-CD1 3.93Å; F145-F405 HydrophobicContact CB-CD2 3.95Å; F145-F405 HydrophobicContact CB-CE1 3.93Å; F145-F405 HydrophobicContact CB-CE2 3.94Å; F145-F405 HydrophobicContact CB-CG 3.93Å; F145-F405 HydrophobicContact CB-CZ 3.91Å; F145-F405 HydrophobicContact CG-CG 4.44Å; F145-V416 PolarHBondContact N-O 3.24Å; F145-I417 HydrophobicContact CB-CG1 4.34Å; F145-I417 HydrophobicContact CB-CG2 4.5Å; F145-I417 HydrophobicContact CD1-CG2 3.93Å; F145-A418 PolarHBondContact O-N 3.31Å
146	Y	95.6	Very high	93	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	92.8	-177.2	-176.3	-99.6	0	0	0	110.6	V78 L130 M144 R148 L157 I392 F393 S394 A418	V78-Y146 HydrophobicContact CB-CE2 4.34Å; V78-Y146 HydrophobicContact CG1-CD2 4.13Å; V78-Y146 HydrophobicContact CG1-CE2 4Å; V78-Y146 HydrophobicContact CG2-CE2 4.03Å; L130-Y146 HydrophobicContact CD1-CE2 4.43Å; L130-Y146 WeakPolarHBondContact CD1-OH 3.38Å; M144-Y146 HydrophobicContact CE-CD2 3.71Å; M144-Y146 HydrophobicContact CE-CG 4.13Å; Y146-R148 VanDerWaalsContact C-N 3.26Å; Y146-R148 HydrophobicContact CD1-CB 4.4Å; Y146-R148 HydrophobicContact CE1-CB 3.86Å; Y146-R148 HydrophobicContact CE2-CB 3.97Å; Y146-R148 HydrophobicContact CE2-CG 4.38Å; Y146-R148 PolarHBondContact O-N 3.1Å; Y146-L157 HydrophobicContact CE1-CD2 4.42Å; Y146-I392 PolarHBondContact N-O 3.26Å; Y146-F393 AromaticContact CD1-CD1 3.91Å; Y146-F393 HydrophobicContact CD1-CD1 3.91Å; Y146-F393 HydrophobicContact CG-CD1 4.23Å; Y146-S394 PolarHBondContact O-N 3.18Å; Y146-S394 VanDerWaalsContact O-O 3.09Å; Y146-A418 HydrophobicContact CD2-CB 3.92Å
147	A	93.2	Very high	93.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	40.2	-179.3	0	0	0	0	0	113.3	F145 S394 T397 P420	F145-A147 HydrophobicContact CE2-CB 4.04Å; F145-A147 HydrophobicContact CZ-CB 3.98Å; A147-S394 CarbonylContact C-O 3.55Å; A147-S394 VanDerWaalsContact C-O 3.25Å; A147-S394 WeakPolarHBondContact CA-O 3.45Å; A147-T397 WeakPolarHBondContact CB-OG1 3.45Å; A147-P420 HydrophobicContact CB-CB 4.47Å
148	R	91.9	Very high	93.4	Very high	50 Å²	50	24.4 Å²	24.4	19%	0.189	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132	14.4	-176.7	-53.1	-175.6	69.8	153.8	7.4	113.4	V78 Y146 T150 Q153 S394 E419 L421	V78-R148 WeakPolarHBondContact O-CD 3.39Å; V78-R148 PolarHBondContact O-NH1 3.49Å; Y146-R148 VanDerWaalsContact C-N 3.26Å; Y146-R148 HydrophobicContact CD1-CB 4.4Å; Y146-R148 HydrophobicContact CE1-CB 3.86Å; Y146-R148 HydrophobicContact CE2-CB 3.97Å; Y146-R148 HydrophobicContact CE2-CG 4.38Å; Y146-R148 PolarHBondContact O-N 3.1Å; R148-T150 PolarHBondContact O-N 2.83Å; R148-Q153 PolarHBondContact O-OE1 3.25Å; R148-S394 PolarHBondContact N-O 3.4Å; R148-S394 VanDerWaalsContact N-O 3.15Å; R148-E419 WeakPolarHBondContact CD-O 3.29Å; R148-E419 WeakPolarHBondContact CG-O 3.38Å; R148-L421 HydrophobicContact CB-CB 4.41Å; R148-L421 HydrophobicContact CG-CB 4.34Å; R148-L421 VanDerWaalsContact NH2-CD1 3.27Å
149	R	92.6	Very high	93.5	Very high	17 Å²	17	26 Å²	26	6%	0.064	15%	0.149	C	C	.	.			trans	-66	121.4	-176.4	172.1	168.4	179.3	128.1	-3.7	111.1	S154 L157 H158 D340 S394 S395	R149-S154 PolarHBondContact NH2-OG 3.43Å; R149-L157 HydrophobicContact CB-CD1 3.93Å; R149-L157 HydrophobicContact CG-CD1 3.56Å; R149-H158 PolarHBondContact NH2-CE1 3.3Å; R149-H158 PolarHBondContact NH2-NE2 2.96Å; R149-D340 IonicContact CZ-OD1 2.89Å; R149-D340 VanDerWaalsContact CZ-OD1 3.26Å; R149-D340 IonicContact CZ-OD2 4Å; R149-D340 IonicContact NE-OD1 2.66Å; R149-D340 IonicContact NH1-OD1 2.75Å; R149-D340 PolarHBondContact NH1-OD1 2.82Å; R149-D340 IonicContact NH1-OD2 3.78Å; R149-D340 PolarHBondContact NH1-OD2 2.88Å; R149-D340 IonicContact NH2-OD2 3.46Å; R149-S394 WeakPolarHBondContact CB-O 3.5Å; R149-S394 PolarHBondContact N-O 3.01Å; R149-S395 WeakPolarHBondContact O-CA 3.32Å; R149-S395 WeakPolarHBondContact O-CB 3.25Å
150	T	92	Very high	93.6	Very high	49 Å²	49	25.8 Å²	25.8	30%	0.301	15%	0.147	S	C	.	.			trans	-107.9	161.1	168.6	68.5	0	0	0	0	111.8	R148 A152 Q153 S154 L421	R148-T150 PolarHBondContact O-N 2.83Å; T150-A152 VanDerWaalsContact C-N 3.26Å; T150-A152 PolarHBondContact O-N 2.85Å; T150-Q153 PolarHBondContact O-N 3.47Å; T150-Q153 VanDerWaalsContact OG1-CD 3.25Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.4Å; T150-Q153 PolarHBondContact OG1-N 3.48Å; T150-Q153 PolarHBondContact OG1-OE1 2.9Å; T150-S154 PolarHBondContact O-N 3.41Å; T150-L421 HydrophobicContact CG2-CD2 4.41Å
151	H	90.1	Very high	93.9	Very high	63 Å²	63	25.1 Å²	25.1	29%	0.292	14%	0.14	S	C	.	.	S	Bend	trans	-63.9	-29.9	174.5	-65.9	-85.8	0	0	0	113	S154 D271 E274	H151-S154 WeakPolarHBondContact O-CB 3.33Å; H151-S154 PolarHBondContact O-N 3.08Å; H151-D271 PolarHBondContact CE1-O 3.04Å; H151-E274 HydrophobicContact CB-CB 3.89Å; H151-E274 HydrophobicContact CB-CG 4.29Å; H151-E274 VanDerWaalsContact ND1-CB 3.29Å; H151-E274 WeakPolarHBondContact ND1-CB 3.2Å
152	A	90.4	Very high	94	Very high	94 Å²	94	25 Å²	25	78%	0.777	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-39.7	176.8	0	0	0	0	0	112.4	T150 S154	T150-A152 VanDerWaalsContact C-N 3.26Å; T150-A152 PolarHBondContact O-N 2.85Å; A152-S154 VanDerWaalsContact C-N 3.26Å; A152-S154 PolarHBondContact O-N 2.94Å
153	Q	91.2	Very high	94.1	Very high	42 Å²	42	24.2 Å²	24.2	20%	0.196	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-0.4	178.7	-64.7	156	-38	0	0	113.2	L130 R148 T150 D155 E156 L157	L130-Q153 HydrophobicContact CD2-CB 4.03Å; L130-Q153 HydrophobicContact CD2-CG 3.72Å; R148-Q153 PolarHBondContact O-OE1 3.25Å; T150-Q153 PolarHBondContact O-N 3.47Å; T150-Q153 VanDerWaalsContact OG1-CD 3.25Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.4Å; T150-Q153 PolarHBondContact OG1-N 3.48Å; T150-Q153 PolarHBondContact OG1-OE1 2.9Å; Q153-D155 PolarHBondContact O-N 2.98Å; Q153-E156 WeakPolarHBondContact O-CB 3.32Å; Q153-E156 PolarHBondContact O-N 3.09Å; Q153-L157 HydrophobicContact CB-CD1 4.48Å; Q153-L157 WeakPolarHBondContact O-CG 3.47Å; Q153-L157 PolarHBondContact O-N 3.24Å
154	S	91.7	Very high	94.1	Very high	8 Å²	8	24.3 Å²	24.3	6%	0.056	14%	0.136	C	C	.	.	H	α-helix	trans	-56.5	-45.9	-168.9	-169.2	0	0	0	0	112.8	R149 T150 H151 A152 L157 H158	R149-S154 PolarHBondContact NH2-OG 3.43Å; T150-S154 PolarHBondContact O-N 3.41Å; H151-S154 WeakPolarHBondContact O-CB 3.33Å; H151-S154 PolarHBondContact O-N 3.08Å; A152-S154 VanDerWaalsContact C-N 3.26Å; A152-S154 PolarHBondContact O-N 2.94Å; S154-L157 PolarHBondContact O-N 3.38Å; S154-H158 PolarHBondContact O-N 2.71Å; S154-H158 PolarHBondContact O-ND1 2.82Å; S154-H158 PolarHBondContact OG-CE1 3.13Å
155	D	92.8	Very high	94.1	Very high	93 Å²	93	24.3 Å²	24.3	50%	0.497	14%	0.136	S	C	.	.	H	α-helix	trans	-74	-25.8	179	-78.5	-9.8	0	0	0	113.2	Q153 H158 T159	Q153-D155 PolarHBondContact O-N 2.98Å; D155-H158 IonicContact OD1-ND1 2.85Å; D155-H158 PolarHBondContact OD1-ND1 3.32Å; D155-T159 WeakPolarHBondContact O-CB 3.29Å; D155-T159 PolarHBondContact O-N 3.22Å; D155-T159 VanDerWaalsContact O-N 3.08Å; D155-T159 PolarHBondContact O-OG1 3.06Å
156	E	93.9	Very high	94	Very high	52 Å²	52	24.4 Å²	24.4	24%	0.243	14%	0.137	C	C	.	.	H	α-helix	trans	-65.5	-46.3	170.7	-65.2	-177.2	-114.4	0	0	110.9	T128 Q131 Q153 T159 V160	T128-E156 VanDerWaalsContact CB-OE2 3.25Å; T128-E156 WeakPolarHBondContact CB-OE2 3.3Å; T128-E156 HydrophobicContact CG2-CG 4.21Å; T128-E156 VanDerWaalsContact CG2-OE2 3.25Å; T128-E156 WeakPolarHBondContact CG2-OE2 3.47Å; T128-E156 PolarHBondContact OG1-OE2 2.83Å; Q131-E156 HydrophobicContact CG-CB 3.98Å; Q131-E156 HydrophobicContact CG-CG 4.48Å; Q131-E156 PolarHBondContact NE2-O 2.84Å; Q153-E156 WeakPolarHBondContact O-CB 3.32Å; Q153-E156 PolarHBondContact O-N 3.09Å; E156-T159 WeakPolarHBondContact O-CB 3.23Å; E156-T159 PolarHBondContact O-N 3.16Å; E156-V160 WeakPolarHBondContact O-CG2 3.34Å; E156-V160 PolarHBondContact O-N 3.01Å
157	L	95.6	Very high	94	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-67.5	-44.4	179.1	-65.4	174.7	0	0	0	111.9	I134 Y146 R149 Q153 S154 T159 V160 I161 F393	I134-L157 HydrophobicContact CD1-CD2 3.43Å; I134-L157 VanDerWaalsContact CD1-CD2 3.43Å; Y146-L157 HydrophobicContact CE1-CD2 4.42Å; R149-L157 HydrophobicContact CB-CD1 3.93Å; R149-L157 HydrophobicContact CG-CD1 3.56Å; Q153-L157 HydrophobicContact CB-CD1 4.48Å; Q153-L157 WeakPolarHBondContact O-CG 3.47Å; Q153-L157 PolarHBondContact O-N 3.24Å; S154-L157 PolarHBondContact O-N 3.38Å; L157-T159 PolarHBondContact O-N 3.46Å; L157-V160 PolarHBondContact O-N 3.18Å; L157-V160 VanDerWaalsContact O-N 3.1Å; L157-I161 WeakPolarHBondContact O-CG1 3.47Å; L157-I161 PolarHBondContact O-N 2.93Å; L157-F393 HydrophobicContact CD2-CD1 4.11Å; L157-F393 HydrophobicContact CD2-CE1 3.97Å
158	H	95.6	Very high	94.1	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-57	-38.2	172.5	-62.6	145.1	0	0	0	111.8	R149 S154 D155 A162 L217 V218 D340	R149-H158 PolarHBondContact NH2-CE1 3.3Å; R149-H158 PolarHBondContact NH2-NE2 2.96Å; S154-H158 PolarHBondContact O-N 2.71Å; S154-H158 PolarHBondContact O-ND1 2.82Å; S154-H158 PolarHBondContact OG-CE1 3.13Å; D155-H158 IonicContact OD1-ND1 2.85Å; D155-H158 PolarHBondContact OD1-ND1 3.32Å; H158-A162 VanDerWaalsContact O-CB 3.24Å; H158-A162 WeakPolarHBondContact O-CB 3.36Å; H158-A162 PolarHBondContact O-N 2.99Å; H158-L217 VanDerWaalsContact CE1-CD1 3.44Å; H158-L217 WeakPolarHBondContact CE1-CD1 3.42Å; H158-V218 HydrophobicContact CB-CG2 4.24Å; H158-D340 IonicContact CD2-OD2 3.94Å; H158-D340 IonicContact NE2-OD2 2.81Å
159	T	94.8	Very high	94.3	Very high	36 Å²	36	22.3 Å²	22.3	22%	0.221	13%	0.13	C	C	.	.	H	α-helix	trans	-67.6	-40.7	175.9	-59.5	0	0	0	0	111.6	D155 E156 L157 A162 I163	D155-T159 WeakPolarHBondContact O-CB 3.29Å; D155-T159 PolarHBondContact O-N 3.22Å; D155-T159 VanDerWaalsContact O-N 3.08Å; D155-T159 PolarHBondContact O-OG1 3.06Å; E156-T159 WeakPolarHBondContact O-CB 3.23Å; E156-T159 PolarHBondContact O-N 3.16Å; L157-T159 PolarHBondContact O-N 3.46Å; T159-A162 PolarHBondContact O-N 3.38Å; T159-I163 HydrophobicContact CG2-CD1 3.89Å; T159-I163 HydrophobicContact CG2-CG1 4.36Å; T159-I163 WeakPolarHBondContact O-CB 3.17Å; T159-I163 VanDerWaalsContact O-CG1 3.22Å; T159-I163 WeakPolarHBondContact O-CG1 3.36Å; T159-I163 PolarHBondContact O-N 2.82Å
160	V	95.5	Very high	94.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.3	-47.2	175.6	170.1	0	0	0	0	111.9	Q131 I134 L135 I138 E156 L157 A162 I163 H164	Q131-V160 HydrophobicContact CB-CG2 3.87Å; Q131-V160 HydrophobicContact CG-CG2 3.72Å; I134-V160 HydrophobicContact CB-CG1 4.31Å; I134-V160 HydrophobicContact CG2-CG1 3.68Å; L135-V160 HydrophobicContact CD2-CG1 4.03Å; L135-V160 HydrophobicContact CG-CG1 4.17Å; L135-V160 HydrophobicContact CG-CG2 4.32Å; I138-V160 HydrophobicContact CD1-CG1 3.53Å; E156-V160 WeakPolarHBondContact O-CG2 3.34Å; E156-V160 PolarHBondContact O-N 3.01Å; L157-V160 PolarHBondContact O-N 3.18Å; L157-V160 VanDerWaalsContact O-N 3.1Å; V160-A162 VanDerWaalsContact C-N 3.29Å; V160-A162 PolarHBondContact O-N 2.83Å; V160-I163 PolarHBondContact O-N 3.1Å; V160-H164 WeakPolarHBondContact O-CB 3.41Å; V160-H164 PolarHBondContact O-N 3.37Å
161	I	97.4	Very high	94.4	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-55.4	-47.5	174.6	-68.7	166.1	0	0	0	110	L157 A165 L207 V218 I338 D340 F393	L157-I161 WeakPolarHBondContact O-CG1 3.47Å; L157-I161 PolarHBondContact O-N 2.93Å; I161-A165 VanDerWaalsContact O-CB 3.26Å; I161-A165 WeakPolarHBondContact O-CB 3.23Å; I161-A165 PolarHBondContact O-N 2.99Å; I161-L207 HydrophobicContact CG2-CD1 4.29Å; I161-L207 HydrophobicContact CG2-CD2 4.05Å; I161-V218 HydrophobicContact CG2-CG1 3.88Å; I161-V218 HydrophobicContact CG2-CG2 4.46Å; I161-I338 HydrophobicContact CD1-CG2 4.4Å; I161-I338 HydrophobicContact CG1-CG2 4.26Å; I161-I338 HydrophobicContact CG2-CD1 4.07Å; I161-I338 HydrophobicContact CG2-CG2 4.44Å; I161-D340 HydrophobicContact CD1-CB 4.03Å; I161-D340 WeakPolarHBondContact CD1-OD2 3.19Å; I161-F393 HydrophobicContact CD1-CD2 3.93Å; I161-F393 HydrophobicContact CD1-CE2 3.84Å; I161-F393 HydrophobicContact CG1-CD2 4.26Å; I161-F393 HydrophobicContact CG1-CE2 3.64Å; I161-F393 HydrophobicContact CG1-CZ 4.36Å
162	A	96.6	Very high	94.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.8	-42.5	179.1	0	0	0	0	0	112.9	H158 T159 V160 L166 A221 M222 L225	H158-A162 VanDerWaalsContact O-CB 3.24Å; H158-A162 WeakPolarHBondContact O-CB 3.36Å; H158-A162 PolarHBondContact O-N 2.99Å; T159-A162 PolarHBondContact O-N 3.38Å; V160-A162 VanDerWaalsContact C-N 3.29Å; V160-A162 PolarHBondContact O-N 2.83Å; A162-L166 WeakPolarHBondContact O-CB 3.47Å; A162-L166 WeakPolarHBondContact O-CD1 3.32Å; A162-L166 WeakPolarHBondContact O-CG 3.47Å; A162-L166 PolarHBondContact O-N 3.44Å; A162-A221 HydrophobicContact CB-CB 3.87Å; A162-M222 HydrophobicContact CB-CB 4.44Å; A162-M222 HydrophobicContact CB-CG 3.57Å; A162-L225 HydrophobicContact CB-CD1 3.58Å
163	I	95.1	Very high	94.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.5	-52.6	174.6	-73	165.7	0	0	0	110	I101 L109 L127 L135 T159 V160 N167 L225	I101-I163 HydrophobicContact CD1-CG2 3.72Å; I101-I163 HydrophobicContact CG1-CG2 4.09Å; L109-I163 HydrophobicContact CD1-CD1 4.12Å; L109-I163 HydrophobicContact CD1-CG1 4.28Å; L109-I163 HydrophobicContact CD2-CD1 3.93Å; L109-I163 HydrophobicContact CD2-CG1 4.38Å; L127-I163 HydrophobicContact CD2-CD1 3.67Å; L135-I163 HydrophobicContact CD1-CD1 4.16Å; L135-I163 HydrophobicContact CD1-CG2 4.42Å; L135-I163 HydrophobicContact CD2-CB 4.43Å; L135-I163 HydrophobicContact CD2-CG2 3.91Å; T159-I163 HydrophobicContact CG2-CD1 3.89Å; T159-I163 HydrophobicContact CG2-CG1 4.36Å; T159-I163 WeakPolarHBondContact O-CB 3.17Å; T159-I163 VanDerWaalsContact O-CG1 3.22Å; T159-I163 WeakPolarHBondContact O-CG1 3.36Å; T159-I163 PolarHBondContact O-N 2.82Å; V160-I163 PolarHBondContact O-N 3.1Å; I163-N167 WeakPolarHBondContact O-CB 3.1Å; I163-N167 PolarHBondContact O-N 2.94Å; I163-L225 HydrophobicContact CG1-CD1 3.7Å; I163-L225 HydrophobicContact CG1-CD2 4.09Å
164	H	96.5	Very high	94.5	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-65.4	-50.3	-173.8	-172.9	51.2	0	0	0	111.9	I138 Y141 V160 L166 N167 H168 Q389	I138-H164 HydrophobicContact CD1-CB 3.67Å; I138-H164 HydrophobicContact CG1-CB 4.33Å; I138-H164 PolarHBondContact O-CE1 3.44Å; Y141-H164 AromaticContact CE1-CE1 3.68Å; Y141-H164 AromaticContact CE1-NE2 3.98Å; Y141-H164 AromaticContact CZ-CE1 3.71Å; V160-H164 WeakPolarHBondContact O-CB 3.41Å; V160-H164 PolarHBondContact O-N 3.37Å; H164-L166 PolarHBondContact O-N 3.42Å; H164-N167 PolarHBondContact O-N 3.34Å; H164-H168 WeakPolarHBondContact O-CB 3.47Å; H164-H168 PolarHBondContact O-N 2.97Å; H164-Q389 PolarHBondContact CE1-OE1 2.9Å; H164-Q389 PolarHBondContact NE2-OE1 3.24Å
165	A	96.9	Very high	94.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.4	-44.9	-179.4	0	0	0	0	0	112.4	I161 N167 H168 I169 I205 M222 M306	I161-A165 VanDerWaalsContact O-CB 3.26Å; I161-A165 WeakPolarHBondContact O-CB 3.23Å; I161-A165 PolarHBondContact O-N 2.99Å; A165-N167 VanDerWaalsContact C-N 3.35Å; A165-N167 PolarHBondContact O-N 2.86Å; A165-H168 PolarHBondContact O-N 3.11Å; A165-I169 WeakPolarHBondContact O-CD1 3.49Å; A165-I169 VanDerWaalsContact O-CG1 3.32Å; A165-I169 WeakPolarHBondContact O-CG1 3.48Å; A165-I169 PolarHBondContact O-N 3.25Å; A165-I169 VanDerWaalsContact O-N 3.11Å; A165-I205 VanDerWaalsContact CA-CD1 3.45Å; A165-I205 HydrophobicContact CB-CD1 3.61Å; A165-I205 HydrophobicContact CB-CG2 4.45Å; A165-I205 WeakPolarHBondContact O-CD1 3.34Å; A165-M222 HydrophobicContact CB-CE 3.96Å; A165-M306 HydrophobicContact CB-CE 4.07Å; A165-M306 HydrophobicContact CB-SD 3.98Å
166	L	95.4	Very high	94.3	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-64.8	-39.3	175.5	-66.5	175.6	0	0	0	112	L105 A162 H164 L170 M222 L225 L226 M290	L105-L166 HydrophobicContact CD1-CB 3.79Å; L105-L166 HydrophobicContact CD2-CB 3.97Å; L105-L166 HydrophobicContact CD2-CD1 3.86Å; A162-L166 WeakPolarHBondContact O-CB 3.47Å; A162-L166 WeakPolarHBondContact O-CD1 3.32Å; A162-L166 WeakPolarHBondContact O-CG 3.47Å; A162-L166 PolarHBondContact O-N 3.44Å; H164-L166 PolarHBondContact O-N 3.42Å; L166-L170 VanDerWaalsContact O-CB 3.28Å; L166-L170 WeakPolarHBondContact O-CB 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.48Å; L166-L170 PolarHBondContact O-N 2.79Å; L166-M222 HydrophobicContact CD1-CB 3.99Å; L166-M222 HydrophobicContact CD1-CG 4.04Å; L166-M222 HydrophobicContact CD2-CB 4.24Å; L166-M222 HydrophobicContact CD2-CG 4.13Å; L166-M222 HydrophobicContact CD2-SD 4.44Å; L166-M222 HydrophobicContact CG-CB 4.35Å; L166-M222 HydrophobicContact CG-CG 4Å; L166-L225 HydrophobicContact CD1-CB 3.84Å; L166-L225 HydrophobicContact CD1-CD1 4.22Å; L166-L226 HydrophobicContact CD1-CD2 4.27Å; L166-L226 HydrophobicContact CD1-CG 3.89Å; L166-L226 HydrophobicContact CD2-CD1 3.87Å; L166-L226 HydrophobicContact CD2-CD2 4.18Å; L166-L226 HydrophobicContact CD2-CG 4.01Å; L166-M290 HydrophobicContact CB-CE 4.35Å; L166-M290 HydrophobicContact CD2-CE 3.35Å; L166-M290 HydrophobicContact CG-CE 4.45Å
167	N	94.8	Very high	94.1	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-65.3	-44.4	179.7	-172	41.3	0	0	0	111.3	I101 K102 L105 I163 H164 A165 L170 K171	I101-N167 WeakPolarHBondContact CA-OD1 3.35Å; K102-N167 WeakPolarHBondContact CG-OD1 3.39Å; K102-N167 PolarHBondContact N-OD1 2.86Å; L105-N167 HydrophobicContact CD1-CB 3.96Å; I163-N167 WeakPolarHBondContact O-CB 3.1Å; I163-N167 PolarHBondContact O-N 2.94Å; H164-N167 PolarHBondContact O-N 3.34Å; A165-N167 VanDerWaalsContact C-N 3.35Å; A165-N167 PolarHBondContact O-N 2.86Å; N167-L170 PolarHBondContact O-N 3.3Å; N167-K171 WeakPolarHBondContact O-CB 3.3Å; N167-K171 VanDerWaalsContact O-CG 3.32Å; N167-K171 WeakPolarHBondContact O-CG 3.47Å; N167-K171 PolarHBondContact O-N 3.09Å
168	H	95.5	Very high	93.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.5	-51.2	175.3	174.7	89.5	0	0	0	111.7	F44 F48 Y141 H164 A165 L170 K171 T172 I205 E335	F44-H168 AromaticContact CE2-CE1 3.92Å; F44-H168 AromaticContact CE2-ND1 3.7Å; F48-H168 AromaticContact CE2-CE1 3.9Å; F48-H168 AromaticContact CE2-ND1 3.96Å; F48-H168 AromaticContact CZ-CE1 3.86Å; Y141-H168 AromaticContact CE1-ND1 3.69Å; Y141-H168 AromaticContact CZ-ND1 3.89Å; Y141-H168 WeakPolarHBondContact OH-CB 3.35Å; Y141-H168 PolarHBondContact OH-ND1 3.4Å; H164-H168 WeakPolarHBondContact O-CB 3.47Å; H164-H168 PolarHBondContact O-N 2.97Å; A165-H168 PolarHBondContact O-N 3.11Å; H168-L170 VanDerWaalsContact C-N 3.35Å; H168-L170 PolarHBondContact O-N 3.17Å; H168-K171 PolarHBondContact O-N 3.38Å; H168-T172 WeakPolarHBondContact O-CB 3.3Å; H168-T172 PolarHBondContact O-N 3.45Å; H168-T172 PolarHBondContact O-OG1 2.94Å; H168-I205 HydrophobicContact CB-CD1 4.15Å; H168-E335 IonicContact CE1-OE2 3.76Å; H168-E335 PolarHBondContact CE1-OE2 3.43Å; H168-E335 IonicContact NE2-OE2 3.91Å; H168-E335 PolarHBondContact NE2-OE2 3.33Å
169	I	95.2	Very high	93.3	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.036	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-42.3	178.1	-61.2	161.8	0	0	0	110.6	A165 K171 T172 R173 I205 M290 D305 M306	A165-I169 WeakPolarHBondContact O-CD1 3.49Å; A165-I169 VanDerWaalsContact O-CG1 3.32Å; A165-I169 WeakPolarHBondContact O-CG1 3.48Å; A165-I169 PolarHBondContact O-N 3.25Å; A165-I169 VanDerWaalsContact O-N 3.11Å; I169-K171 PolarHBondContact O-N 2.77Å; I169-T172 WeakPolarHBondContact O-CB 3.49Å; I169-R173 HydrophobicContact CG2-CG 4.14Å; I169-R173 WeakPolarHBondContact O-CB 3.42Å; I169-R173 VanDerWaalsContact O-CG 3.27Å; I169-R173 WeakPolarHBondContact O-CG 3.28Å; I169-R173 PolarHBondContact O-N 2.95Å; I169-I205 HydrophobicContact CD1-CD1 4.05Å; I169-I205 HydrophobicContact CG1-CD1 3.88Å; I169-I205 HydrophobicContact CG1-CG1 4.46Å; I169-M290 HydrophobicContact CB-CE 3.71Å; I169-M290 HydrophobicContact CB-SD 4.42Å; I169-M290 HydrophobicContact CD1-CE 3.99Å; I169-M290 HydrophobicContact CG1-CE 4.48Å; I169-M290 HydrophobicContact CG2-CB 3.99Å; I169-M290 HydrophobicContact CG2-CE 3.64Å; I169-M290 HydrophobicContact CG2-SD 3.9Å; I169-D305 HydrophobicContact CD1-CB 4.38Å; I169-D305 HydrophobicContact CG1-CB 4.39Å; I169-D305 HydrophobicContact CG2-CB 3.94Å; I169-M306 HydrophobicContact CD1-CB 3.98Å; I169-M306 HydrophobicContact CD1-SD 4.4Å
170	L	93.6	Very high	92.9	Very high	25 Å²	25	29.3 Å²	29.3	13%	0.131	13%	0.132	C	C	.	.	H	α-helix	trans	-66.8	-32.6	176.8	-73.9	170.7	0	0	0	113	K102 A104 L105 L166 N167 H168 T174 M290	K102-L170 HydrophobicContact CB-CB 4.35Å; K102-L170 HydrophobicContact CB-CD1 4.36Å; K102-L170 HydrophobicContact CG-CB 3.93Å; A104-L170 HydrophobicContact CB-CD1 4.35Å; L105-L170 HydrophobicContact CD1-CD1 4.01Å; L105-L170 HydrophobicContact CD2-CD1 3.96Å; L105-L170 HydrophobicContact CG-CD1 3.77Å; L166-L170 VanDerWaalsContact O-CB 3.28Å; L166-L170 WeakPolarHBondContact O-CB 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.48Å; L166-L170 PolarHBondContact O-N 2.79Å; N167-L170 PolarHBondContact O-N 3.3Å; H168-L170 VanDerWaalsContact C-N 3.35Å; H168-L170 PolarHBondContact O-N 3.17Å; L170-T174 PolarHBondContact O-N 2.86Å; L170-T174 PolarHBondContact O-OG1 2.86Å; L170-M290 HydrophobicContact CD2-SD 3.51Å; L170-M290 VanDerWaalsContact CD2-SD 3.51Å; L170-M290 HydrophobicContact CG-CE 4.38Å; L170-M290 HydrophobicContact CG-SD 3.67Å
171	K	93	Very high	92.3	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.013	16%	0.164	C	C	.	.	H	α-helix	trans	-65	-59.3	172.1	-77.5	-176.5	-176.5	-173.1	0	110.6	D42 F44 Y100 K102 N167 H168 I169 R173 T174 I175	D42-K171 VanDerWaalsContact CG-NZ 3.3Å; D42-K171 IonicContact OD1-NZ 3.21Å; D42-K171 PolarHBondContact OD1-NZ 3.11Å; D42-K171 VanDerWaalsContact OD2-CE 3.31Å; D42-K171 WeakPolarHBondContact OD2-CE 3.41Å; D42-K171 IonicContact OD2-NZ 3.48Å; D42-K171 PolarHBondContact OD2-NZ 2.84Å; D42-K171 VanDerWaalsContact OD2-NZ 3.1Å; F44-K171 HydrophobicContact CB-CD 3.4Å; F44-K171 VanDerWaalsContact CB-CD 3.4Å; F44-K171 HydrophobicContact CD1-CB 3.79Å; F44-K171 HydrophobicContact CD1-CD 3.87Å; F44-K171 HydrophobicContact CD1-CG 4.33Å; F44-K171 HydrophobicContact CD2-CB 3.94Å; F44-K171 HydrophobicContact CD2-CD 3.78Å; F44-K171 HydrophobicContact CE1-CB 3.71Å; F44-K171 HydrophobicContact CE2-CB 3.86Å; F44-K171 HydrophobicContact CG-CB 3.92Å; F44-K171 HydrophobicContact CG-CD 3.4Å; F44-K171 HydrophobicContact CG-CG 4.25Å; F44-K171 HydrophobicContact CZ-CB 3.75Å; Y100-K171 WeakPolarHBondContact O-CE 3.42Å; Y100-K171 PolarHBondContact O-NZ 2.9Å; K102-K171 HydrophobicContact CD-CG 4.42Å; K102-K171 HydrophobicContact CG-CG 4.17Å; N167-K171 WeakPolarHBondContact O-CB 3.3Å; N167-K171 VanDerWaalsContact O-CG 3.32Å; N167-K171 WeakPolarHBondContact O-CG 3.47Å; N167-K171 PolarHBondContact O-N 3.09Å; H168-K171 PolarHBondContact O-N 3.38Å; I169-K171 PolarHBondContact O-N 2.77Å; K171-R173 PolarHBondContact O-N 2.92Å; K171-T174 WeakPolarHBondContact O-CB 3.42Å; K171-T174 PolarHBondContact O-N 3.11Å; K171-I175 PolarHBondContact O-N 3.07Å
172	T	92.9	Very high	91.2	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-41.2	-59.7	170.6	-79.4	0	0	0	0	112.1	H168 I169 T174 I175 I176 R204	H168-T172 WeakPolarHBondContact O-CB 3.3Å; H168-T172 PolarHBondContact O-N 3.45Å; H168-T172 PolarHBondContact O-OG1 2.94Å; I169-T172 WeakPolarHBondContact O-CB 3.49Å; T172-T174 PolarHBondContact O-N 3.08Å; T172-I175 PolarHBondContact O-N 3.16Å; T172-I176 HydrophobicContact CG2-CD1 3.66Å; T172-I176 PolarHBondContact O-N 3.03Å; T172-I176 VanDerWaalsContact O-N 3.15Å; T172-R204 PolarHBondContact OG1-NH1 3.37Å
173	R	91.1	Very high	89.3	Confident	61 Å²	61	45.6 Å²	45.6	23%	0.23	21%	0.213	C	C	.	.	H	α-helix	trans	-68.8	-19.7	-174	-66.6	-174.6	72.5	91.8	9.9	113.8	I169 K171 M177 M290 D305	I169-R173 HydrophobicContact CG2-CG 4.14Å; I169-R173 WeakPolarHBondContact O-CB 3.42Å; I169-R173 VanDerWaalsContact O-CG 3.27Å; I169-R173 WeakPolarHBondContact O-CG 3.28Å; I169-R173 PolarHBondContact O-N 2.95Å; K171-R173 PolarHBondContact O-N 2.92Å; R173-M177 WeakPolarHBondContact O-CG 3.42Å; R173-M177 PolarHBondContact O-N 3.27Å; R173-M290 PolarHBondContact NE-O 2.99Å; R173-M290 VanDerWaalsContact NE-O 3.15Å; R173-M290 PolarHBondContact NH1-O 3.3Å; R173-M290 VanDerWaalsContact NH1-O 3.11Å; R173-D305 IonicContact NH1-OD1 3.63Å; R173-D305 PolarHBondContact NH1-OD1 3.14Å; R173-D305 IonicContact NH1-OD2 2.63Å; R173-D305 PolarHBondContact NH1-OD2 3.33Å
174	T	90.6	Very high	87.5	Confident	44 Å²	44	51.4 Å²	51.4	27%	0.27	25%	0.251	S	S	.	.	H	α-helix	trans	-70.9	-37.5	171.9	-55.3	0	0	0	0	111.3	K102 L170 K171 T172 R178	K102-T174 VanDerWaalsContact NZ-CB 3.33Å; K102-T174 PolarHBondContact NZ-OG1 3.45Å; L170-T174 PolarHBondContact O-N 2.86Å; L170-T174 PolarHBondContact O-OG1 2.86Å; K171-T174 WeakPolarHBondContact O-CB 3.42Å; K171-T174 PolarHBondContact O-N 3.11Å; T172-T174 PolarHBondContact O-N 3.08Å; T174-R178 VanDerWaalsContact O-CG 3.31Å; T174-R178 WeakPolarHBondContact O-CG 3.42Å; T174-R178 PolarHBondContact O-N 3.23Å; T174-R178 VanDerWaalsContact O-N 3.13Å
175	I	90.9	Very high	85.4	Confident	9 Å²	9	60.2 Å²	60.2	5%	0.046	29%	0.289	C	S	.	.	H	α-helix	trans	-73.8	-48.5	-178.7	-61	-179.7	0	0	0	109.7	F44 M45 Y49 K171 T172 M177 R178 H179 D197	F44-I175 HydrophobicContact CE1-CD1 3.76Å; M45-I175 HydrophobicContact CE-CD1 4.02Å; M45-I175 HydrophobicContact SD-CD1 3.65Å; Y49-I175 HydrophobicContact CE1-CD1 4.45Å; Y49-I175 HydrophobicContact CE1-CG2 4.41Å; Y49-I175 HydrophobicContact CE2-CD1 3.67Å; K171-I175 PolarHBondContact O-N 3.07Å; T172-I175 PolarHBondContact O-N 3.16Å; I175-M177 CarbonylContact O-C 3.48Å; I175-M177 PolarHBondContact O-N 2.8Å; I175-M177 VanDerWaalsContact O-N 3.1Å; I175-R178 WeakPolarHBondContact O-CA 3.47Å; I175-R178 WeakPolarHBondContact O-CB 3.48Å; I175-R178 PolarHBondContact O-N 3.46Å; I175-H179 WeakPolarHBondContact CG2-CE1 3.46Å; I175-H179 WeakPolarHBondContact CG2-NE2 3.49Å; I175-H179 PolarHBondContact O-N 3.17Å; I175-D197 HydrophobicContact CG2-CB 3.88Å
176	I	89.9	Confident	82.9	Confident	32 Å²	32	65.7 Å²	65.7	16%	0.164	33%	0.326	C	S	.	.	H	α-helix	trans	-56.3	-31	175.6	-60.1	168.5	0	0	0	112.5	T172 K180 D197 L198	T172-I176 HydrophobicContact CG2-CD1 3.66Å; T172-I176 PolarHBondContact O-N 3.03Å; T172-I176 VanDerWaalsContact O-N 3.15Å; I176-K180 HydrophobicContact CG2-CD 4.37Å; I176-K180 WeakPolarHBondContact O-CB 3.44Å; I176-K180 VanDerWaalsContact O-CG 3.25Å; I176-K180 WeakPolarHBondContact O-CG 3.49Å; I176-K180 PolarHBondContact O-N 2.87Å; I176-D197 VanDerWaalsContact CA-OD2 3.26Å; I176-D197 WeakPolarHBondContact CA-OD2 3.3Å; I176-D197 HydrophobicContact CG1-CB 4.21Å; I176-L198 HydrophobicContact CD1-CD2 4.01Å; I176-L198 HydrophobicContact CG1-CD2 4.23Å
177	M	88.4	Confident	80.2	Confident	91 Å²	91	72 Å²	72	45%	0.448	37%	0.365	S	S	.	.	H	α-helix	trans	-72.4	-50.9	171.1	-76.3	177.4	159.5	0	0	111.6	R173 I175 H179 K180 D181	R173-M177 WeakPolarHBondContact O-CG 3.42Å; R173-M177 PolarHBondContact O-N 3.27Å; I175-M177 CarbonylContact O-C 3.48Å; I175-M177 PolarHBondContact O-N 2.8Å; I175-M177 VanDerWaalsContact O-N 3.1Å; M177-H179 VanDerWaalsContact C-N 3.3Å; M177-H179 PolarHBondContact O-N 3.06Å; M177-K180 PolarHBondContact O-N 2.97Å; M177-D181 PolarHBondContact O-N 3.19Å
178	R	88.2	Confident	77.7	Confident	149 Å²	149	80 Å²	80	56%	0.562	40%	0.402	S	S	*	.	H	α-helix	trans	-55.5	-40.1	177.6	-72.6	165.6	169.9	-173	-8	113.7	T174 I175 K180 D181 R182	T174-R178 VanDerWaalsContact O-CG 3.31Å; T174-R178 WeakPolarHBondContact O-CG 3.42Å; T174-R178 PolarHBondContact O-N 3.23Å; T174-R178 VanDerWaalsContact O-N 3.13Å; I175-R178 WeakPolarHBondContact O-CA 3.47Å; I175-R178 WeakPolarHBondContact O-CB 3.48Å; I175-R178 PolarHBondContact O-N 3.46Å; R178-K180 VanDerWaalsContact C-N 3.35Å; R178-D181 PolarHBondContact O-N 3.4Å; R178-R182 WeakPolarHBondContact O-CG 3.35Å; R178-R182 PolarHBondContact O-N 3.3Å
179	H	87.8	Confident	75.3	Confident	30 Å²	30	85.9 Å²	85.9	14%	0.139	44%	0.443	C	S	.	.	H	α-helix	trans	-74.7	-26.4	-179.9	-65.3	-178.2	0	0	0	112.3	I175 M177 E194 Q195 D197	I175-H179 WeakPolarHBondContact CG2-CE1 3.46Å; I175-H179 WeakPolarHBondContact CG2-NE2 3.49Å; I175-H179 PolarHBondContact O-N 3.17Å; M177-H179 VanDerWaalsContact C-N 3.3Å; M177-H179 PolarHBondContact O-N 3.06Å; H179-E194 PolarHBondContact CE1-O 3.35Å; H179-Q195 PolarHBondContact ND1-O 2.96Å; H179-D197 WeakPolarHBondContact CB-OD2 3.48Å; H179-D197 IonicContact CE1-OD2 2.87Å; H179-D197 IonicContact CG-OD2 3.69Å; H179-D197 IonicContact ND1-OD2 3.28Å; H179-D197 PolarHBondContact ND1-OD2 3.18Å
180	K	85.6	Confident	72.6	Confident	155 Å²	155	92.5 Å²	92.5	67%	0.674	48%	0.478	S	S	*	.	H	α-helix	trans	-77.8	-30.6	170.1	-71.5	-179	-179	-160.5	0	113	I176 M177 R178	I176-K180 HydrophobicContact CG2-CD 4.37Å; I176-K180 WeakPolarHBondContact O-CB 3.44Å; I176-K180 VanDerWaalsContact O-CG 3.25Å; I176-K180 WeakPolarHBondContact O-CG 3.49Å; I176-K180 PolarHBondContact O-N 2.87Å; M177-K180 PolarHBondContact O-N 2.97Å; R178-K180 VanDerWaalsContact C-N 3.35Å
181	D	83	Confident	70.5	Confident	126 Å²	126	96.3 Å²	96.3	67%	0.674	50%	0.499	S	S	*	.	H	α-helix	trans	-74.7	-28.4	174.7	-59.2	-27.3	0	0	0	111.5	M177 R178 T183	M177-D181 PolarHBondContact O-N 3.19Å; R178-D181 PolarHBondContact O-N 3.4Å; D181-T183 PolarHBondContact O-N 3.48Å
182	R	73.9	Confident	68.5	Low	123 Å²	123	104 Å²	104	46%	0.464	53%	0.534	S	S	.	.	S	Bend	trans	-67.8	85.8	169.2	-80.8	177.1	167.7	177.8	-8.3	110.6	R178 E194	R178-R182 WeakPolarHBondContact O-CG 3.35Å; R178-R182 PolarHBondContact O-N 3.3Å; R182-E194 IonicContact CZ-OE2 2.72Å; R182-E194 VanDerWaalsContact CZ-OE2 3.28Å; R182-E194 IonicContact NH1-OE2 2.65Å; R182-E194 PolarHBondContact NH1-OE2 3.48Å; R182-E194 IonicContact NH2-OE2 3.18Å; R182-E194 PolarHBondContact NH2-OE2 3.41Å
183	T	57.6	Low	66.6	Low	94 Å²	94	108.1 Å²	108.1	58%	0.577	56%	0.56	S	S	*	*			trans	-60.6	139.9	173.9	-54.6	0	0	0	0	110.5	D181 K185	D181-T183 PolarHBondContact O-N 3.48Å; T183-K185 HydrophobicContact CG2-CD 4.49Å; T183-K185 HydrophobicContact CG2-CG 4.15Å; T183-K185 PolarHBondContact O-N 3.3Å
184	P	57.2	Low	65.1	Low	122 Å²	122	109.7 Å²	109.7	79%	0.792	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	35.7	-175.3	31.2	-38.9	0	0	0	115.2
185	K	51.6	Low	64.3	Low	187 Å²	187	112.4 Å²	112.4	81%	0.813	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-0.5	177	-72.6	-171.2	174.3	-170.9	0	114	T183	T183-K185 HydrophobicContact CG2-CD 4.49Å; T183-K185 HydrophobicContact CG2-CG 4.15Å; T183-K185 PolarHBondContact O-N 3.3Å
186	C	44.6	Very low	64	Low	114 Å²	114	114.6 Å²	114.6	77%	0.77	59%	0.587	S	S	*	*			trans	-98.5	83	168.1	-69	0	0	0	0	109.2	E188	C186-E188 PolarHBondContact O-N 2.95Å; C186-E188 VanDerWaalsContact O-N 3.11Å
187	T	38.8	Very low	64	Low	135 Å²	135	113.2 Å²	113.2	83%	0.828	58%	0.58	S	S	*	*			trans	-82.9	63.1	171.5	49.9	0	0	0	0	110.6
188	E	42.3	Very low	64.1	Low	169 Å²	169	111 Å²	111	79%	0.79	57%	0.569	S	S	*	*			trans	-102.8	125.2	162.6	-70.8	-177.6	167.6	0	0	107.2	C186 L190	C186-E188 PolarHBondContact O-N 2.95Å; C186-E188 VanDerWaalsContact O-N 3.11Å; E188-L190 PolarHBondContact O-N 3.09Å
189	S	45	Very low	64.3	Low	124 Å²	124	104.1 Å²	104.1	87%	0.867	55%	0.545	S	S	*	.			trans	-84	46.1	-161.1	59.7	0	0	0	0	113.6
190	L	38.2	Very low	64.6	Low	146 Å²	146	103 Å²	103	76%	0.764	54%	0.54	S	S	*	.	S	Bend	trans	-132.1	140.8	-178.2	-63.8	171.2	0	0	0	109.4	E188	E188-L190 PolarHBondContact O-N 3.09Å
191	D	50.6	Low	65	Low	105 Å²	105	96 Å²	96	56%	0.561	51%	0.51	S	S	*	.			trans	65.4	48.3	177	-55.7	-27.9	0	0	0	118.1	V193 E194	D191-V193 PolarHBondContact O-N 3.28Å; D191-V193 VanDerWaalsContact O-N 3.16Å; D191-E194 HydrophobicContact CB-CB 4.07Å; D191-E194 HydrophobicContact CB-CG 4.07Å; D191-E194 PolarHBondContact O-N 3.11Å; D191-E194 VanDerWaalsContact O-N 3.13Å
192	E	50.1	Low	65.5	Low	163 Å²	163	94.6 Å²	94.6	76%	0.762	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-28.9	157.2	-69.7	-164.2	163.7	0	0	112.3	Q195	E192-Q195 PolarHBondContact O-N 3.02Å
193	V	53.7	Low	66.6	Low	92 Å²	92	88.7 Å²	88.7	56%	0.558	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-33.8	179	-174.3	0	0	0	0	112	D191 Q195	D191-V193 PolarHBondContact O-N 3.28Å; D191-V193 VanDerWaalsContact O-N 3.16Å; V193-Q195 PolarHBondContact O-N 2.95Å
194	E	59.1	Low	68.5	Low	94 Å²	94	84.8 Å²	84.8	44%	0.439	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-34	179.6	-98.3	-146.7	159.6	0	0	112.1	H179 R182 D191 R196	H179-E194 PolarHBondContact CE1-O 3.35Å; R182-E194 IonicContact CZ-OE2 2.72Å; R182-E194 VanDerWaalsContact CZ-OE2 3.28Å; R182-E194 IonicContact NH1-OE2 2.65Å; R182-E194 PolarHBondContact NH1-OE2 3.48Å; R182-E194 IonicContact NH2-OE2 3.18Å; R182-E194 PolarHBondContact NH2-OE2 3.41Å; D191-E194 HydrophobicContact CB-CB 4.07Å; D191-E194 HydrophobicContact CB-CG 4.07Å; D191-E194 PolarHBondContact O-N 3.11Å; D191-E194 VanDerWaalsContact O-N 3.13Å; E194-R196 VanDerWaalsContact C-N 3.32Å; E194-R196 PolarHBondContact O-N 3.44Å
195	Q	73.4	Confident	70.4	Confident	100 Å²	100	79 Å²	79	47%	0.467	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-8.9	-164.8	-55.3	-163.9	24.5	0	0	114.1	H179 E192 V193 D197	H179-Q195 PolarHBondContact ND1-O 2.96Å; E192-Q195 PolarHBondContact O-N 3.02Å; V193-Q195 PolarHBondContact O-N 2.95Å; Q195-D197 PolarHBondContact O-N 3.2Å
196	R	85.4	Confident	72.6	Confident	55 Å²	55	70 Å²	70	21%	0.208	37%	0.371	C	S	.	.			trans	-79.6	104.3	-179	-67	175.6	178.8	-90.8	1.5	111.1	Y49 E194 Y372 S373 K374 V375 R376 M377	Y49-R196 WeakPolarHBondContact CE1-O 3.39Å; E194-R196 VanDerWaalsContact C-N 3.32Å; E194-R196 PolarHBondContact O-N 3.44Å; R196-Y372 PolarHBondContact NH1-O 2.94Å; R196-S373 PolarHBondContact NH1-O 2.96Å; R196-K374 CarbonylContact C-O 3.25Å; R196-K374 VanDerWaalsContact CA-O 3.32Å; R196-K374 WeakPolarHBondContact CA-O 3.46Å; R196-V375 WeakPolarHBondContact CD-O 3.44Å; R196-V375 PolarHBondContact NH1-O 3.46Å; R196-R376 HydrophobicContact CB-CG 4.29Å; R196-R376 WeakPolarHBondContact O-CG 3.38Å; R196-M377 VanDerWaalsContact CZ-SD 3.59Å
197	D	89.2	Confident	75.2	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.021	34%	0.335	C	S	.	.			trans	-124.7	-3.6	-176.2	65.5	22.5	0	0	0	115.4	Y49 I175 I176 H179 Q195 R204 K374 R376	Y49-D197 HydrophobicContact CE1-CB 4.48Å; I175-D197 HydrophobicContact CG2-CB 3.88Å; I176-D197 VanDerWaalsContact CA-OD2 3.26Å; I176-D197 WeakPolarHBondContact CA-OD2 3.3Å; I176-D197 HydrophobicContact CG1-CB 4.21Å; H179-D197 WeakPolarHBondContact CB-OD2 3.48Å; H179-D197 IonicContact CE1-OD2 2.87Å; H179-D197 IonicContact CG-OD2 3.69Å; H179-D197 IonicContact ND1-OD2 3.28Å; H179-D197 PolarHBondContact ND1-OD2 3.18Å; Q195-D197 PolarHBondContact O-N 3.2Å; D197-R204 PolarHBondContact O-NH2 2.83Å; D197-K374 PolarHBondContact N-O 3.28Å; D197-R376 PolarHBondContact O-NH2 3.42Å
198	L	91.4	Very high	78.1	Confident	43 Å²	43	58.2 Å²	58.2	23%	0.225	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-96.1	159.7	-179.6	-57.1	-173.2	0	0	0	112.9	I176 K374 V375 R376	I176-L198 HydrophobicContact CD1-CD2 4.01Å; I176-L198 HydrophobicContact CG1-CD2 4.23Å; L198-K374 HydrophobicContact CD1-CB 3.88Å; L198-K374 HydrophobicContact CG-CB 3.93Å; L198-K374 PolarHBondContact N-O 3.46Å; L198-V375 HydrophobicContact CB-CG2 4.25Å; L198-V375 WeakPolarHBondContact O-CA 3.42Å; L198-R376 PolarHBondContact O-N 3.06Å
199	G	92.4	Very high	80.7	Confident	5 Å²	5	50.1 Å²	50.1	5%	0.052	26%	0.258	C	S	.	.			trans	-100.1	175.2	160.4	0	0	0	0	0	110.7	T201	G199-T201 PolarHBondContact O-N 3.41Å
200	L	93	Very high	83.2	Confident	6 Å²	6	44.2 Å²	44.2	3%	0.031	22%	0.216	C	C	.	.	S	Bend	trans	-64.5	-16.8	172.6	-65.2	163.6	0	0	0	113.5	S333 P364 V370 Y372 V375 S379	L200-S333 WeakPolarHBondContact CA-OG 3.4Å; L200-S333 PolarHBondContact N-OG 3Å; L200-P364 HydrophobicContact CB-CG 4.32Å; L200-V370 WeakPolarHBondContact O-CG2 3.3Å; L200-Y372 HydrophobicContact CD2-CD1 4.4Å; L200-Y372 HydrophobicContact CD2-CE1 3.87Å; L200-V375 HydrophobicContact CD2-CG1 4.07Å; L200-V375 HydrophobicContact CG-CG1 4.15Å; L200-S379 WeakPolarHBondContact CD1-O 3.47Å
201	T	94.3	Very high	86.1	Confident	8 Å²	8	37.4 Å²	37.4	5%	0.049	18%	0.181	C	C	.	.	S	Bend	trans	-145.7	172.2	166.1	51.2	0	0	0	0	110	G199 Y302 D329 S332 S333	G199-T201 PolarHBondContact O-N 3.41Å; T201-Y302 HydrophobicContact CG2-CD1 4.17Å; T201-Y302 HydrophobicContact CG2-CE1 3.97Å; T201-D329 WeakPolarHBondContact CG2-O 3.3Å; T201-D329 PolarHBondContact OG1-O 2.71Å; T201-S332 WeakPolarHBondContact CG2-OG 3.16Å; T201-S332 PolarHBondContact OG1-OG 2.91Å; T201-S333 PolarHBondContact N-OG 3.4Å; T201-S333 WeakPolarHBondContact O-CB 3.5Å
202	R	94.2	Very high	88.3	Confident	97 Å²	97	34.3 Å²	34.3	37%	0.366	16%	0.161	S	C	.	.	S	Bend	trans	-80.4	-36	-175.2	-164.5	178.2	162.4	-160.8	-20.4	115.9	R204 Y302 S303 S304 D305	R202-R204 PolarHBondContact O-N 3.02Å; R202-Y302 VanDerWaalsContact CB-O 3.28Å; R202-Y302 WeakPolarHBondContact CB-O 3.41Å; R202-S303 PolarHBondContact NH1-O 2.7Å; R202-S303 PolarHBondContact NH2-O 2.69Å; R202-S304 CarbonylContact C-O 3.57Å; R202-S304 WeakPolarHBondContact CG-O 3.38Å; R202-D305 IonicContact CZ-OD1 2.71Å; R202-D305 VanDerWaalsContact CZ-OD1 3.25Å; R202-D305 IonicContact NE-OD1 2.89Å; R202-D305 PolarHBondContact NE-OD1 3.08Å; R202-D305 IonicContact NH2-OD1 3.31Å; R202-D305 PolarHBondContact NH2-OD1 3.41Å; R202-D305 IonicContact NH2-OD2 2.73Å; R202-D305 PolarHBondContact NH2-OD2 3.41Å
203	P	96.7	Very high	90.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.129	C	C	.	.			trans	-60.5	126.8	177.2	-27.5	38.1	0	0	0	111.6	F301 I307 Y330 S333 I334	P203-F301 WeakPolarHBondContact CG-O 3.09Å; P203-I307 HydrophobicContact CB-CD1 4.04Å; P203-I307 HydrophobicContact CB-CG1 4.31Å; P203-I307 HydrophobicContact CG-CD1 4.07Å; P203-I307 HydrophobicContact CG-CG1 4.49Å; P203-Y330 WeakPolarHBondContact CB-O 3.25Å; P203-Y330 WeakPolarHBondContact CG-O 3.3Å; P203-S333 CarbonylContact O-C 3.57Å; P203-S333 VanDerWaalsContact O-O 3.1Å; P203-I334 HydrophobicContact CB-CD1 4.1Å
204	R	96.6	Very high	92.5	Very high	11 Å²	11	23.6 Å²	23.6	4%	0.042	11%	0.106	C	C	.	.			trans	-115.4	-21.7	177.4	-71.2	175.9	-174.7	-124.3	-6.3	113.6	T172 D197 R202 D305 I334 E335 V336	T172-R204 PolarHBondContact OG1-NH1 3.37Å; D197-R204 PolarHBondContact O-NH2 2.83Å; R202-R204 PolarHBondContact O-N 3.02Å; R204-D305 PolarHBondContact N-O 2.88Å; R204-D305 VanDerWaalsContact N-O 3.08Å; R204-I334 CarbonylContact O-C 3.55Å; R204-E335 HydrophobicContact CB-CB 4.28Å; R204-E335 HydrophobicContact CG-CG 4.33Å; R204-E335 IonicContact CZ-OE1 2.7Å; R204-E335 IonicContact CZ-OE2 3.83Å; R204-E335 IonicContact NE-OE1 3.29Å; R204-E335 PolarHBondContact NE-OE1 2.58Å; R204-E335 IonicContact NH1-OE1 3.79Å; R204-E335 PolarHBondContact NH1-OE1 3.03Å; R204-E335 IonicContact NH1-OE2 3.9Å; R204-E335 PolarHBondContact NH1-OE2 2.92Å; R204-E335 IonicContact NH2-OE1 2.69Å; R204-E335 PolarHBondContact O-N 3.34Å; R204-V336 PolarHBondContact O-N 3.29Å
205	I	98.3	Very high	94.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.8	-179.3	-50.4	-172.2	0	0	0	109.1	A165 H168 I169 M306 I307 V336 I338	A165-I205 VanDerWaalsContact CA-CD1 3.45Å; A165-I205 HydrophobicContact CB-CD1 3.61Å; A165-I205 HydrophobicContact CB-CG2 4.45Å; A165-I205 WeakPolarHBondContact O-CD1 3.34Å; H168-I205 HydrophobicContact CB-CD1 4.15Å; I169-I205 HydrophobicContact CD1-CD1 4.05Å; I169-I205 HydrophobicContact CG1-CD1 3.88Å; I169-I205 HydrophobicContact CG1-CG1 4.46Å; I205-M306 HydrophobicContact CB-CB 4.03Å; I205-M306 HydrophobicContact CB-CE 4.45Å; I205-M306 HydrophobicContact CB-CG 3.82Å; I205-M306 HydrophobicContact CB-SD 4.16Å; I205-M306 HydrophobicContact CD1-SD 4.5Å; I205-M306 HydrophobicContact CG2-CE 3.68Å; I205-M306 HydrophobicContact CG2-CG 4.06Å; I205-M306 HydrophobicContact CG2-SD 4Å; I205-M306 CarbonylContact O-C 3.6Å; I205-M306 VanDerWaalsContact O-CA 3.31Å; I205-M306 WeakPolarHBondContact O-CA 3.42Å; I205-I307 PolarHBondContact O-N 2.92Å; I205-V336 VanDerWaalsContact CA-O 3.3Å; I205-V336 WeakPolarHBondContact CA-O 3.48Å; I205-V336 HydrophobicContact CG1-CB 4.27Å; I205-V336 HydrophobicContact CG2-CB 4.37Å; I205-I338 HydrophobicContact CG2-CD1 4.44Å
206	L	98.5	Very high	95.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	117.8	166.9	174.3	58	0	0	0	108.3	L208 I307 L314 L331 I334 V336 L337 I338 I356 M360	L206-L208 HydrophobicContact CD1-CD2 3.95Å; L206-L208 HydrophobicContact CD2-CD2 4.42Å; L206-L208 HydrophobicContact CG-CD2 4.25Å; L206-L208 HydrophobicContact CG-CG 4.33Å; L206-I307 HydrophobicContact CD1-CB 4.15Å; L206-I307 HydrophobicContact CD1-CG2 4Å; L206-L314 HydrophobicContact CD1-CD2 3.69Å; L206-L314 HydrophobicContact CD2-CD2 3.96Å; L206-L314 HydrophobicContact CG-CD2 4.49Å; L206-L331 HydrophobicContact CD2-CD2 4.18Å; L206-I334 HydrophobicContact CB-CD1 3.95Å; L206-I334 HydrophobicContact CB-CG1 4.24Å; L206-I334 HydrophobicContact CB-CG2 4.1Å; L206-V336 PolarHBondContact N-O 3.24Å; L206-L337 HydrophobicContact CB-CD1 4.24Å; L206-L337 HydrophobicContact CD2-CD1 4Å; L206-L337 HydrophobicContact CG-CD1 4.02Å; L206-I338 PolarHBondContact O-N 2.96Å; L206-I356 HydrophobicContact CD2-CG2 3.74Å; L206-M360 HydrophobicContact CD2-SD 4.1Å
207	L	98.6	Very high	96	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	110.7	173	169.5	62.4	0	0	0	109.6	I161 V209 V218 M306 I307 I308 A309 I338 D340	I161-L207 HydrophobicContact CG2-CD1 4.29Å; I161-L207 HydrophobicContact CG2-CD2 4.05Å; L207-V209 HydrophobicContact CD1-CG1 3.63Å; L207-V209 HydrophobicContact CD2-CG1 4.22Å; L207-V209 HydrophobicContact CG-CG1 3.77Å; L207-V218 HydrophobicContact CD2-CB 4.3Å; L207-V218 HydrophobicContact CD2-CG1 3.74Å; L207-V218 HydrophobicContact CD2-CG2 4.38Å; L207-M306 HydrophobicContact CB-CE 3.47Å; L207-M306 VanDerWaalsContact CB-CE 3.47Å; L207-M306 HydrophobicContact CD2-CE 3.69Å; L207-M306 HydrophobicContact CG-CE 4.23Å; L207-I307 PolarHBondContact N-O 2.85Å; L207-I308 HydrophobicContact CB-CG1 4.27Å; L207-I308 HydrophobicContact CD2-CD1 4.01Å; L207-I308 HydrophobicContact CD2-CG1 4.11Å; L207-I308 HydrophobicContact CD2-CG2 4.15Å; L207-I308 HydrophobicContact CG-CG2 4.21Å; L207-I308 WeakPolarHBondContact O-CA 3.43Å; L207-A309 PolarHBondContact O-N 3.03Å; L207-I338 CarbonylContact C-O 3.55Å; L207-I338 WeakPolarHBondContact CA-O 3.26Å; L207-I338 HydrophobicContact CB-CB 4.5Å; L207-I338 HydrophobicContact CD1-CB 3.7Å; L207-I338 HydrophobicContact CD1-CG2 3.58Å; L207-D340 HydrophobicContact CD1-CB 4.48Å
208	L	98.7	Very high	96.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.2	169.8	-59.7	-177.7	0	0	0	109.6	L206 A309 L314 I338 M339 D340 F345 I356	L206-L208 HydrophobicContact CD1-CD2 3.95Å; L206-L208 HydrophobicContact CD2-CD2 4.42Å; L206-L208 HydrophobicContact CG-CD2 4.25Å; L206-L208 HydrophobicContact CG-CG 4.33Å; L208-A309 WeakPolarHBondContact CA-O 3.47Å; L208-L314 HydrophobicContact CD2-CD2 3.92Å; L208-I338 PolarHBondContact N-O 2.66Å; L208-M339 HydrophobicContact CB-CG 4.27Å; L208-M339 HydrophobicContact CD1-CG 4.19Å; L208-D340 PolarHBondContact O-N 3.35Å; L208-F345 HydrophobicContact CB-CE2 4.15Å; L208-F345 HydrophobicContact CB-CZ 3.85Å; L208-I356 HydrophobicContact CD1-CD1 4.3Å; L208-I356 HydrophobicContact CD1-CG2 4.27Å; L208-I356 HydrophobicContact CD2-CD1 4.29Å
209	V	98.3	Very high	96.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	5%	0.054	C	C	.	.			trans	-140.3	150.7	172.3	-50.1	0	0	0	0	109.1	L207 F211 A215 F284 I308 A309 S310 D340	L207-V209 HydrophobicContact CD1-CG1 3.63Å; L207-V209 HydrophobicContact CD2-CG1 4.22Å; L207-V209 HydrophobicContact CG-CG1 3.77Å; V209-F211 PolarHBondContact O-N 3.07Å; V209-A215 HydrophobicContact CG2-CB 3.82Å; V209-F284 HydrophobicContact CG2-CE2 4.24Å; V209-F284 HydrophobicContact CG2-CZ 3.64Å; V209-F284 WeakPolarHBondContact O-CZ 3.41Å; V209-I308 HydrophobicContact CG2-CG2 4.32Å; V209-A309 PolarHBondContact N-O 3.43Å; V209-S310 WeakPolarHBondContact O-CA 3.45Å; V209-D340 HydrophobicContact CG1-CB 4Å
210	P	97.5	Very high	96.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-73.4	-34.5	-165.6	25.4	-35.3	0	0	0	113.5	D282 D340 Q341 V344 F345 Q348	P210-D282 WeakPolarHBondContact O-CB 3.43Å; P210-D340 WeakPolarHBondContact CD-O 3.28Å; P210-Q341 HydrophobicContact CG-CB 3.91Å; P210-V344 HydrophobicContact CB-CB 3.81Å; P210-V344 HydrophobicContact CB-CG1 3.39Å; P210-V344 HydrophobicContact CG-CB 3.96Å; P210-V344 HydrophobicContact CG-CG1 3.89Å; P210-V344 HydrophobicContact CG-CG2 4.28Å; P210-F345 HydrophobicContact CB-CD1 4.24Å; P210-F345 HydrophobicContact CB-CE1 4.03Å; P210-Q348 PolarHBondContact O-NE2 3.02Å
211	F	97.2	Very high	96.7	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.013	8%	0.081	C	C	.	.	S	Bend	trans	-133	153.9	-168	-59.8	-46.9	0	0	0	112.6	V209 H213 S214 A215 L275 F276 H280 D282 V344 Y536	V209-F211 PolarHBondContact O-N 3.07Å; F211-H213 PolarHBondContact O-N 3.38Å; F211-S214 PolarHBondContact O-N 3.15Å; F211-S214 VanDerWaalsContact O-N 3.07Å; F211-A215 PolarHBondContact O-N 3.34Å; F211-L275 HydrophobicContact CD2-CD1 4.41Å; F211-L275 HydrophobicContact CE2-CD1 3.89Å; F211-L275 HydrophobicContact CE2-CG 4.12Å; F211-F276 HydrophobicContact CE2-CD1 4.31Å; F211-F276 HydrophobicContact CE2-CE1 4Å; F211-F276 HydrophobicContact CZ-CD1 4.29Å; F211-F276 AromaticContact CZ-CE1 3.65Å; F211-F276 HydrophobicContact CZ-CE1 3.65Å; F211-F276 HydrophobicContact CZ-CZ 4.37Å; F211-H280 HydrophobicContact CD1-CB 4.2Å; F211-H280 WeakPolarHBondContact CD1-O 3.21Å; F211-H280 HydrophobicContact CE1-CB 4.47Å; F211-H280 WeakPolarHBondContact CE1-O 3.43Å; F211-H280 HydrophobicContact CG-CB 4.24Å; F211-D282 HydrophobicContact CD1-CB 4.15Å; F211-D282 HydrophobicContact CE1-CB 4.33Å; F211-V344 HydrophobicContact CE2-CG1 3.97Å; F211-V344 HydrophobicContact CZ-CG1 3.87Å; F211-Y536 HydrophobicContact CZ-CE1 4.33Å
212	R	97.1	Very high	96.7	Very high	40 Å²	40	18 Å²	18	15%	0.151	8%	0.079	C	C	.	.	H	α-helix	trans	-54.6	-33.7	173.9	-75.5	-161.1	-168	122.6	20.9	113.1	A215 Y216 H244 Y245 N279 D281 C283 F284	R212-A215 PolarHBondContact O-N 2.74Å; R212-Y216 PolarHBondContact O-N 2.84Å; R212-H244 WeakPolarHBondContact CD-O 3.39Å; R212-Y245 HydrophobicContact CB-CD1 3.66Å; R212-Y245 HydrophobicContact CB-CE1 4.22Å; R212-Y245 HydrophobicContact CB-CG 4.2Å; R212-Y245 HydrophobicContact CG-CD1 3.68Å; R212-Y245 HydrophobicContact CG-CE1 3.76Å; R212-Y245 HydrophobicContact CG-CG 4.28Å; R212-N279 HydrophobicContact CB-CB 4.25Å; R212-D281 HydrophobicContact CG-CB 4.37Å; R212-D281 IonicContact CZ-OD1 3.67Å; R212-D281 IonicContact CZ-OD2 3.51Å; R212-D281 PolarHBondContact N-O 3.01Å; R212-D281 IonicContact NH1-OD2 3.77Å; R212-D281 PolarHBondContact NH1-OD2 3Å; R212-D281 IonicContact NH2-OD1 2.96Å; R212-D281 PolarHBondContact NH2-OD1 2.52Å; R212-D281 IonicContact NH2-OD2 3.12Å; R212-D281 PolarHBondContact NH2-OD2 3.33Å; R212-C283 PolarHBondContact NH2-O 3.05Å; R212-F284 HydrophobicContact CB-CD1 4.4Å; R212-F284 HydrophobicContact CG-CB 3.58Å; R212-F284 HydrophobicContact CG-CD1 3.54Å; R212-F284 HydrophobicContact CG-CD2 4.34Å; R212-F284 HydrophobicContact CG-CE1 4.34Å; R212-F284 HydrophobicContact CG-CG 3.54Å
213	H	96	Very high	96.7	Very high	21 Å²	21	14.4 Å²	14.4	10%	0.097	7%	0.067	C	C	.	.	H	α-helix	trans	-64.3	-40.9	176.9	-168.5	54.7	0	0	0	113.1	F211 A215 Y216 L217 K277 N279	F211-H213 PolarHBondContact O-N 3.38Å; H213-A215 VanDerWaalsContact C-N 3.33Å; H213-A215 PolarHBondContact O-N 3.43Å; H213-Y216 AromaticContact CE1-CD1 3.91Å; H213-Y216 AromaticContact ND1-CD1 3.8Å; H213-Y216 WeakPolarHBondContact O-CB 3.49Å; H213-Y216 PolarHBondContact O-N 3.36Å; H213-Y216 VanDerWaalsContact O-N 3.16Å; H213-L217 WeakPolarHBondContact O-CG 3.48Å; H213-L217 PolarHBondContact O-N 2.95Å; H213-K277 WeakPolarHBondContact CB-O 3.15Å; H213-K277 PolarHBondContact CD2-O 2.86Å; H213-K277 VanDerWaalsContact CG-O 3.28Å; H213-N279 WeakPolarHBondContact CB-O 3.29Å; H213-N279 PolarHBondContact N-O 2.89Å
214	S	96	Very high	96.4	Very high	8 Å²	8	16.1 Å²	16.1	6%	0.056	8%	0.084	C	C	.	.	H	α-helix	trans	-62.6	-41.8	175.7	-47.5	0	0	0	0	110.9	F211 Y216 L217 V218 Q341	F211-S214 PolarHBondContact O-N 3.15Å; F211-S214 VanDerWaalsContact O-N 3.07Å; S214-Y216 PolarHBondContact O-N 2.92Å; S214-L217 PolarHBondContact O-N 2.75Å; S214-V218 PolarHBondContact O-N 3.21Å; S214-V218 VanDerWaalsContact O-N 3.12Å; S214-Q341 PolarHBondContact OG-OE1 3.27Å
215	A	97.6	Very high	96.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.6	-38.7	173.2	0	0	0	0	0	112.3	V209 F211 R212 H213 V219 Y245 F284 I308	V209-A215 HydrophobicContact CG2-CB 3.82Å; F211-A215 PolarHBondContact O-N 3.34Å; R212-A215 PolarHBondContact O-N 2.74Å; H213-A215 VanDerWaalsContact C-N 3.33Å; H213-A215 PolarHBondContact O-N 3.43Å; A215-V219 WeakPolarHBondContact O-CB 3.44Å; A215-V219 VanDerWaalsContact O-CG2 3.32Å; A215-V219 WeakPolarHBondContact O-CG2 3.31Å; A215-V219 PolarHBondContact O-N 3.49Å; A215-Y245 HydrophobicContact CB-CD1 3.97Å; A215-Y245 HydrophobicContact CB-CE1 4.08Å; A215-F284 HydrophobicContact CB-CE2 3.83Å; A215-F284 HydrophobicContact CB-CZ 4.2Å; A215-I308 HydrophobicContact CB-CG2 3.79Å
216	Y	97.4	Very high	95.6	Very high	48 Å²	48	17.8 Å²	17.8	19%	0.188	9%	0.093	C	C	.	.	H	α-helix	trans	-61	-43.9	173	168.4	-98.8	0	0	0	112.6	R212 H213 S214 V219 K220 F241 Y245	R212-Y216 PolarHBondContact O-N 2.84Å; H213-Y216 AromaticContact CE1-CD1 3.91Å; H213-Y216 AromaticContact ND1-CD1 3.8Å; H213-Y216 WeakPolarHBondContact O-CB 3.49Å; H213-Y216 PolarHBondContact O-N 3.36Å; H213-Y216 VanDerWaalsContact O-N 3.16Å; S214-Y216 PolarHBondContact O-N 2.92Å; Y216-V219 PolarHBondContact O-N 3.39Å; Y216-K220 HydrophobicContact CE1-CD 4.38Å; Y216-K220 WeakPolarHBondContact O-CB 3.13Å; Y216-K220 PolarHBondContact O-N 3.28Å; Y216-F241 HydrophobicContact CD2-CD1 4.47Å; Y216-F241 AromaticContact CD2-CE1 3.89Å; Y216-F241 HydrophobicContact CD2-CE1 3.89Å; Y216-Y245 VanDerWaalsContact CB-O 3.27Å; Y216-Y245 WeakPolarHBondContact CB-O 3.48Å
217	L	96.3	Very high	95.1	Very high	17 Å²	17	18.3 Å²	18.3	9%	0.089	10%	0.096	C	C	.	.	H	α-helix	trans	-65.6	-43.6	179.8	-66.7	176.8	0	0	0	112	H158 H213 S214 K220 A221	H158-L217 VanDerWaalsContact CE1-CD1 3.44Å; H158-L217 WeakPolarHBondContact CE1-CD1 3.42Å; H213-L217 WeakPolarHBondContact O-CG 3.48Å; H213-L217 PolarHBondContact O-N 2.95Å; S214-L217 PolarHBondContact O-N 2.75Å; L217-K220 WeakPolarHBondContact O-CB 3.28Å; L217-K220 PolarHBondContact O-N 3.41Å; L217-A221 PolarHBondContact O-N 2.88Å
218	V	96.9	Very high	94.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-44.7	175.9	177.5	0	0	0	0	111.6	H158 I161 L207 S214 K220 A221 M222	H158-V218 HydrophobicContact CB-CG2 4.24Å; I161-V218 HydrophobicContact CG2-CG1 3.88Å; I161-V218 HydrophobicContact CG2-CG2 4.46Å; L207-V218 HydrophobicContact CD2-CB 4.3Å; L207-V218 HydrophobicContact CD2-CG1 3.74Å; L207-V218 HydrophobicContact CD2-CG2 4.38Å; S214-V218 PolarHBondContact O-N 3.21Å; S214-V218 VanDerWaalsContact O-N 3.12Å; V218-K220 VanDerWaalsContact C-N 3.34Å; V218-K220 PolarHBondContact O-N 2.89Å; V218-A221 WeakPolarHBondContact O-CB 3.32Å; V218-A221 PolarHBondContact O-N 3.06Å; V218-M222 HydrophobicContact CG1-CE 3.72Å; V218-M222 HydrophobicContact CG1-SD 4.38Å; V218-M222 WeakPolarHBondContact O-CG 3.09Å; V218-M222 PolarHBondContact O-N 3.09Å
219	V	96.6	Very high	93.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.6	-33.8	177.4	174.1	0	0	0	0	111.8	A215 Y216 M222 I223 F241 L288 L297 I308	A215-V219 WeakPolarHBondContact O-CB 3.44Å; A215-V219 VanDerWaalsContact O-CG2 3.32Å; A215-V219 WeakPolarHBondContact O-CG2 3.31Å; A215-V219 PolarHBondContact O-N 3.49Å; Y216-V219 PolarHBondContact O-N 3.39Å; V219-M222 PolarHBondContact O-N 2.91Å; V219-I223 HydrophobicContact CG1-CD1 3.94Å; V219-I223 HydrophobicContact CG1-CG1 4.42Å; V219-I223 VanDerWaalsContact O-CG1 3.29Å; V219-I223 WeakPolarHBondContact O-CG1 3.42Å; V219-I223 PolarHBondContact O-N 3.4Å; V219-F241 HydrophobicContact CB-CE1 3.67Å; V219-F241 HydrophobicContact CB-CE2 4.46Å; V219-F241 HydrophobicContact CB-CZ 3.51Å; V219-F241 HydrophobicContact CG1-CD1 4.14Å; V219-F241 HydrophobicContact CG1-CE1 3.5Å; V219-F241 HydrophobicContact CG1-CE2 4.43Å; V219-F241 HydrophobicContact CG1-CZ 3.68Å; V219-F241 HydrophobicContact CG2-CE1 4.39Å; V219-F241 HydrophobicContact CG2-CE2 4.32Å; V219-F241 HydrophobicContact CG2-CZ 3.74Å; V219-L288 HydrophobicContact CG2-CD1 4.25Å; V219-L297 HydrophobicContact CG1-CD2 4.1Å; V219-I308 HydrophobicContact CG2-CD1 3.63Å
220	K	94.5	Very high	92.2	Very high	114 Å²	114	31.5 Å²	31.5	50%	0.496	17%	0.172	S	C	.	.	H	α-helix	trans	-60.8	-46.7	171.3	179.3	-165.9	172	-157.9	0	110.7	Y216 L217 V218 I223 G224	Y216-K220 HydrophobicContact CE1-CD 4.38Å; Y216-K220 WeakPolarHBondContact O-CB 3.13Å; Y216-K220 PolarHBondContact O-N 3.28Å; L217-K220 WeakPolarHBondContact O-CB 3.28Å; L217-K220 PolarHBondContact O-N 3.41Å; V218-K220 VanDerWaalsContact C-N 3.34Å; V218-K220 PolarHBondContact O-N 2.89Å; K220-I223 PolarHBondContact O-N 2.69Å; K220-G224 PolarHBondContact O-N 2.9Å
221	A	93.9	Very high	90.5	Very high	19 Å²	19	40.6 Å²	40.6	16%	0.157	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-43.5	174.7	0	0	0	0	0	111.6	A162 L217 V218 I223 G224 L225	A162-A221 HydrophobicContact CB-CB 3.87Å; L217-A221 PolarHBondContact O-N 2.88Å; V218-A221 WeakPolarHBondContact O-CB 3.32Å; V218-A221 PolarHBondContact O-N 3.06Å; A221-I223 PolarHBondContact O-N 2.72Å; A221-G224 PolarHBondContact O-N 3.14Å; A221-L225 WeakPolarHBondContact O-CG 3.3Å; A221-L225 PolarHBondContact O-N 2.8Å
222	M	94.7	Very high	89.2	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-42.4	175.7	-71.4	175.7	176.4	0	0	113.1	A162 A165 L166 V218 V219 L225 L226 L288 M306	A162-M222 HydrophobicContact CB-CB 4.44Å; A162-M222 HydrophobicContact CB-CG 3.57Å; A165-M222 HydrophobicContact CB-CE 3.96Å; L166-M222 HydrophobicContact CD1-CB 3.99Å; L166-M222 HydrophobicContact CD1-CG 4.04Å; L166-M222 HydrophobicContact CD2-CB 4.24Å; L166-M222 HydrophobicContact CD2-CG 4.13Å; L166-M222 HydrophobicContact CD2-SD 4.44Å; L166-M222 HydrophobicContact CG-CB 4.35Å; L166-M222 HydrophobicContact CG-CG 4Å; V218-M222 HydrophobicContact CG1-CE 3.72Å; V218-M222 HydrophobicContact CG1-SD 4.38Å; V218-M222 WeakPolarHBondContact O-CG 3.09Å; V218-M222 PolarHBondContact O-N 3.09Å; V219-M222 PolarHBondContact O-N 2.91Å; M222-L225 PolarHBondContact O-N 2.93Å; M222-L226 WeakPolarHBondContact O-CB 3.44Å; M222-L226 WeakPolarHBondContact O-CG 3.38Å; M222-L226 PolarHBondContact O-N 3.05Å; M222-L288 HydrophobicContact SD-CD1 4.12Å; M222-M306 HydrophobicContact CE-CE 3.68Å; M222-M306 HydrophobicContact CE-SD 3.67Å
223	I	92.8	Very high	88.3	Confident	21 Å²	21	49.6 Å²	49.6	11%	0.108	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-42.5	176.4	-70	167.7	0	0	0	110.4	V219 K220 A221 L225 L226 F227 V235 L295	V219-I223 HydrophobicContact CG1-CD1 3.94Å; V219-I223 HydrophobicContact CG1-CG1 4.42Å; V219-I223 VanDerWaalsContact O-CG1 3.29Å; V219-I223 WeakPolarHBondContact O-CG1 3.42Å; V219-I223 PolarHBondContact O-N 3.4Å; K220-I223 PolarHBondContact O-N 2.69Å; A221-I223 PolarHBondContact O-N 2.72Å; I223-L225 PolarHBondContact O-N 3.36Å; I223-L226 PolarHBondContact O-N 3.35Å; I223-F227 HydrophobicContact CG2-CD2 4.15Å; I223-F227 WeakPolarHBondContact O-CD2 3.35Å; I223-F227 PolarHBondContact O-N 2.79Å; I223-V235 HydrophobicContact CD1-CG1 4.02Å; I223-V235 HydrophobicContact CD1-CG2 4.26Å; I223-V235 HydrophobicContact CG1-CG2 4.11Å; I223-V235 HydrophobicContact CG2-CG2 4.33Å; I223-L295 HydrophobicContact CG1-CD2 3.88Å
224	G	90.8	Very high	87.9	Confident	35 Å²	35	54.7 Å²	54.7	36%	0.361	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-43.1	174.3	0	0	0	0	0	113	K220 A221 G228	K220-G224 PolarHBondContact O-N 2.9Å; A221-G224 PolarHBondContact O-N 3.14Å; G224-G228 WeakPolarHBondContact O-CA 3.46Å; G224-G228 PolarHBondContact O-N 3.39Å
225	L	89.6	Confident	87.7	Confident	12 Å²	12	55.1 Å²	55.1	6%	0.063	28%	0.283	C	S	.	.	H	α-helix	trans	-71.5	-32.8	178.7	-67.9	167.9	0	0	0	113.5	L105 H108 L109 A162 I163 L166 A221 M222 I223	L105-L225 HydrophobicContact CD2-CB 4.3Å; H108-L225 PolarHBondContact ND1-O 2.84Å; L109-L225 HydrophobicContact CD2-CD2 3.47Å; L109-L225 VanDerWaalsContact CD2-CD2 3.47Å; L109-L225 HydrophobicContact CG-CD2 3.96Å; A162-L225 HydrophobicContact CB-CD1 3.58Å; I163-L225 HydrophobicContact CG1-CD1 3.7Å; I163-L225 HydrophobicContact CG1-CD2 4.09Å; L166-L225 HydrophobicContact CD1-CB 3.84Å; L166-L225 HydrophobicContact CD1-CD1 4.22Å; A221-L225 WeakPolarHBondContact O-CG 3.3Å; A221-L225 PolarHBondContact O-N 2.8Å; M222-L225 PolarHBondContact O-N 2.93Å; I223-L225 PolarHBondContact O-N 3.36Å
226	L	88.9	Confident	87.5	Confident	34 Å²	34	57.1 Å²	57.1	18%	0.178	30%	0.296	C	S	.	.	H	α-helix	trans	-78.4	-33.5	179.4	-76.8	176	0	0	0	113.7	L105 H108 L166 M222 I223 L295	L105-L226 HydrophobicContact CD2-CD2 4.07Å; H108-L226 PolarHBondContact CE1-O 2.88Å; H108-L226 VanDerWaalsContact CE1-O 3.32Å; L166-L226 HydrophobicContact CD1-CD2 4.27Å; L166-L226 HydrophobicContact CD1-CG 3.89Å; L166-L226 HydrophobicContact CD2-CD1 3.87Å; L166-L226 HydrophobicContact CD2-CD2 4.18Å; L166-L226 HydrophobicContact CD2-CG 4.01Å; M222-L226 WeakPolarHBondContact O-CB 3.44Å; M222-L226 WeakPolarHBondContact O-CG 3.38Å; M222-L226 PolarHBondContact O-N 3.05Å; I223-L226 PolarHBondContact O-N 3.35Å; L226-L295 HydrophobicContact CD1-CB 4.11Å; L226-L295 HydrophobicContact CD1-CD1 4.4Å; L226-L295 HydrophobicContact CD1-CD2 4.31Å
227	F	87.9	Confident	87.3	Confident	12 Å²	12	59.9 Å²	59.9	5%	0.053	31%	0.31	C	S	.	.	H	α-helix	trans	-126.6	-14.4	-169.1	-57.7	-77.4	0	0	0	114.7	I223 N229 D230 P233 V235 K293 L295	I223-F227 HydrophobicContact CG2-CD2 4.15Å; I223-F227 WeakPolarHBondContact O-CD2 3.35Å; I223-F227 PolarHBondContact O-N 2.79Å; F227-N229 PolarHBondContact O-N 3.47Å; F227-D230 HydrophobicContact CB-CB 4.43Å; F227-D230 WeakPolarHBondContact O-CB 3.4Å; F227-D230 PolarHBondContact O-N 2.83Å; F227-P233 HydrophobicContact CB-CB 3.71Å; F227-P233 HydrophobicContact CD1-CB 3.84Å; F227-P233 HydrophobicContact CD2-CB 3.8Å; F227-P233 HydrophobicContact CE1-CB 4.39Å; F227-P233 HydrophobicContact CE2-CB 4.38Å; F227-P233 HydrophobicContact CG-CB 3.5Å; F227-P233 VanDerWaalsContact CG-CB 3.5Å; F227-V235 HydrophobicContact CD2-CG2 4.17Å; F227-V235 HydrophobicContact CE2-CG2 3.57Å; F227-V235 HydrophobicContact CZ-CG2 4.13Å; F227-K293 WeakPolarHBondContact CE1-O 3.48Å; F227-L295 HydrophobicContact CE2-CB 4.36Å
228	G	82.7	Confident	87.2	Confident	24 Å²	24	62.8 Å²	62.8	25%	0.247	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	-123.3	-175.4	0	0	0	0	0	111.7	G224	G224-G228 WeakPolarHBondContact O-CA 3.46Å; G224-G228 PolarHBondContact O-N 3.39Å
229	N	74.6	Confident	87	Confident	153 Å²	153	71.7 Å²	71.7	82%	0.818	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	19.7	176	-65	-18.2	0	0	0	112.9	F227 Q231	F227-N229 PolarHBondContact O-N 3.47Å; N229-Q231 PolarHBondContact O-N 3.22Å
230	D	76.3	Confident	86.9	Confident	100 Å²	100	77.3 Å²	77.3	54%	0.535	38%	0.382	S	S	.	.			trans	-53.7	126.5	174.4	-85.6	-13.3	0	0	0	110.1	F227 K232 P233	F227-D230 HydrophobicContact CB-CB 4.43Å; F227-D230 WeakPolarHBondContact O-CB 3.4Å; F227-D230 PolarHBondContact O-N 2.83Å; D230-K232 PolarHBondContact O-N 3.34Å; D230-P233 WeakPolarHBondContact O-CD 3.42Å
231	Q	62.2	Low	86.9	Confident	191 Å²	191	72 Å²	72	89%	0.893	36%	0.359	S	S	*	.	S	Bend	trans	-61.2	-19.6	-171.2	-63.9	-179	-3.7	0	0	114.7	N229	N229-Q231 PolarHBondContact O-N 3.22Å
232	K	71	Confident	87	Confident	192 Å²	192	74.9 Å²	74.9	84%	0.835	37%	0.37	S	S	*	.	S	Bend	trans	-138.9	75	-178	-66.2	-176.3	-178.1	174.8	0	111.1	D230 F234	D230-K232 PolarHBondContact O-N 3.34Å; K232-F234 PolarHBondContact O-N 2.92Å
233	P	78.4	Confident	86.9	Confident	40 Å²	40	82 Å²	82	26%	0.26	40%	0.404	S	S	.	.			trans	-70.3	119.8	179.5	30.1	-33.7	0	0	0	110.1	F227 D230 V235	F227-P233 HydrophobicContact CB-CB 3.71Å; F227-P233 HydrophobicContact CD1-CB 3.84Å; F227-P233 HydrophobicContact CD2-CB 3.8Å; F227-P233 HydrophobicContact CE1-CB 4.39Å; F227-P233 HydrophobicContact CE2-CB 4.38Å; F227-P233 HydrophobicContact CG-CB 3.5Å; F227-P233 VanDerWaalsContact CG-CB 3.5Å; D230-P233 WeakPolarHBondContact O-CD 3.42Å; P233-V235 VanDerWaalsContact C-N 3.33Å; P233-V235 HydrophobicContact CB-CG2 4.31Å; P233-V235 PolarHBondContact O-N 2.92Å
234	F	87.2	Confident	87	Confident	128 Å²	128	84.6 Å²	84.6	56%	0.561	42%	0.415	S	S	*	.			trans	-76.6	84.7	-177.7	-162.5	-78.8	0	0	0	110.6	K232 S294 L295	K232-F234 PolarHBondContact O-N 2.92Å; F234-S294 WeakPolarHBondContact O-CA 3.48Å; F234-L295 PolarHBondContact O-N 3.17Å
235	V	92.1	Very high	87.2	Confident	16 Å²	16	83.2 Å²	83.2	10%	0.097	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	102.5	178.9	-174.8	0	0	0	0	109.8	I223 F227 P233 K238 L295 L297	I223-V235 HydrophobicContact CD1-CG1 4.02Å; I223-V235 HydrophobicContact CD1-CG2 4.26Å; I223-V235 HydrophobicContact CG1-CG2 4.11Å; I223-V235 HydrophobicContact CG2-CG2 4.33Å; F227-V235 HydrophobicContact CD2-CG2 4.17Å; F227-V235 HydrophobicContact CE2-CG2 3.57Å; F227-V235 HydrophobicContact CZ-CG2 4.13Å; P233-V235 VanDerWaalsContact C-N 3.33Å; P233-V235 HydrophobicContact CB-CG2 4.31Å; P233-V235 PolarHBondContact O-N 2.92Å; V235-K238 HydrophobicContact CB-CB 4.01Å; V235-K238 HydrophobicContact CB-CD 4.14Å; V235-K238 HydrophobicContact CB-CG 4.4Å; V235-K238 HydrophobicContact CG1-CB 3.83Å; V235-K238 HydrophobicContact CG1-CD 4.41Å; V235-K238 HydrophobicContact CG1-CG 4.21Å; V235-K238 WeakPolarHBondContact O-CB 3.35Å; V235-K238 PolarHBondContact O-N 2.91Å; V235-L295 CarbonylContact C-O 3.53Å; V235-L295 VanDerWaalsContact CA-O 3.25Å; V235-L295 WeakPolarHBondContact CA-O 3.38Å; V235-L295 HydrophobicContact CG2-CB 4.48Å; V235-L297 HydrophobicContact CG1-CD1 3.65Å; V235-L297 HydrophobicContact CG1-CD2 4.31Å; V235-L297 HydrophobicContact CG1-CG 3.83Å
236	T	92.9	Very high	87.3	Confident	43 Å²	43	82.7 Å²	82.7	26%	0.264	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	137.3	-178.8	-42.2	0	0	0	0	109.9	K238 L295 L297	T236-K238 VanDerWaalsContact C-N 3.27Å; T236-K238 PolarHBondContact O-N 3.14Å; T236-L295 PolarHBondContact N-O 2.93Å; T236-L297 WeakPolarHBondContact O-CB 3.2Å; T236-L297 WeakPolarHBondContact O-CG 3.41Å; T236-L297 PolarHBondContact O-N 2.73Å
237	H	93.3	Very high	87.2	Confident	106 Å²	106	84.5 Å²	84.5	49%	0.491	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	19.8	-174.8	-53.4	-67.2	0	0	0	116.4	K239 R240 F241 L297 F298	H237-K239 VanDerWaalsContact C-N 3.3Å; H237-K239 PolarHBondContact O-N 3.02Å; H237-R240 PolarHBondContact O-N 3.09Å; H237-F241 PolarHBondContact O-N 3.11Å; H237-L297 PolarHBondContact CD2-O 3.46Å; H237-F298 HydrophobicContact CB-CD2 3.85Å; H237-F298 HydrophobicContact CB-CE2 4.4Å
238	K	93.1	Very high	86.8	Confident	77 Å²	77	86.6 Å²	86.6	34%	0.335	43%	0.426	S	S	.	.	H	α-helix	trans	-52	-39.3	178.1	-171.1	176.2	177.6	179.9	0	114.6	V235 T236 F241 I242	V235-K238 HydrophobicContact CB-CB 4.01Å; V235-K238 HydrophobicContact CB-CD 4.14Å; V235-K238 HydrophobicContact CB-CG 4.4Å; V235-K238 HydrophobicContact CG1-CB 3.83Å; V235-K238 HydrophobicContact CG1-CD 4.41Å; V235-K238 HydrophobicContact CG1-CG 4.21Å; V235-K238 WeakPolarHBondContact O-CB 3.35Å; V235-K238 PolarHBondContact O-N 2.91Å; T236-K238 VanDerWaalsContact C-N 3.27Å; T236-K238 PolarHBondContact O-N 3.14Å; K238-F241 PolarHBondContact O-N 2.86Å; K238-I242 HydrophobicContact CG-CD1 4.01Å; K238-I242 WeakPolarHBondContact O-CG1 3.3Å; K238-I242 PolarHBondContact O-N 2.85Å; K238-I242 VanDerWaalsContact O-N 3.09Å
239	K	93.1	Very high	86.1	Confident	187 Å²	187	90.8 Å²	90.8	81%	0.813	46%	0.458	S	S	*	.	H	α-helix	trans	-59.8	-56.8	177.4	-70.9	-171.5	176.4	-174.3	0	111.3	H237 F241 I242 E243	H237-K239 VanDerWaalsContact C-N 3.3Å; H237-K239 PolarHBondContact O-N 3.02Å; K239-F241 PolarHBondContact O-N 3.45Å; K239-I242 PolarHBondContact O-N 2.97Å; K239-I242 VanDerWaalsContact O-N 3.1Å; K239-E243 WeakPolarHBondContact O-CB 3.45Å; K239-E243 PolarHBondContact O-N 3.3Å
240	R	94.8	Very high	85.4	Confident	118 Å²	118	90.9 Å²	90.9	45%	0.445	45%	0.451	S	S	.	.	H	α-helix	trans	-54.2	-35.7	175.6	-179.7	178.1	-175.7	-158.9	3.1	112.6	H237 H244 F298	H237-R240 PolarHBondContact O-N 3.09Å; R240-H244 VanDerWaalsContact CG-CD2 3.45Å; R240-H244 WeakPolarHBondContact CG-CD2 3.25Å; R240-H244 PolarHBondContact NE-NE2 2.93Å; R240-H244 PolarHBondContact O-CD2 3.08Å; R240-H244 VanDerWaalsContact O-CD2 3.26Å; R240-H244 PolarHBondContact O-N 2.66Å; R240-F298 HydrophobicContact CB-CE2 4.15Å; R240-F298 HydrophobicContact CG-CD2 4.46Å; R240-F298 HydrophobicContact CG-CE2 3.8Å; R240-F298 HydrophobicContact CG-CZ 3.9Å
241	F	95.8	Very high	84.5	Confident	4 Å²	4	90.4 Å²	90.4	2%	0.018	45%	0.451	C	S	.	.	H	α-helix	trans	-67.3	-47.9	176.5	-175.7	-106.2	0	0	0	112.4	Y216 V219 H237 K238 K239 E243 H244 Y245 I286 L297 F298	Y216-F241 HydrophobicContact CD2-CD1 4.47Å; Y216-F241 AromaticContact CD2-CE1 3.89Å; Y216-F241 HydrophobicContact CD2-CE1 3.89Å; V219-F241 HydrophobicContact CB-CE1 3.67Å; V219-F241 HydrophobicContact CB-CE2 4.46Å; V219-F241 HydrophobicContact CB-CZ 3.51Å; V219-F241 HydrophobicContact CG1-CD1 4.14Å; V219-F241 HydrophobicContact CG1-CE1 3.5Å; V219-F241 HydrophobicContact CG1-CE2 4.43Å; V219-F241 HydrophobicContact CG1-CZ 3.68Å; V219-F241 HydrophobicContact CG2-CE1 4.39Å; V219-F241 HydrophobicContact CG2-CE2 4.32Å; V219-F241 HydrophobicContact CG2-CZ 3.74Å; H237-F241 PolarHBondContact O-N 3.11Å; K238-F241 PolarHBondContact O-N 2.86Å; K239-F241 PolarHBondContact O-N 3.45Å; F241-E243 VanDerWaalsContact C-N 3.25Å; F241-E243 PolarHBondContact O-N 3.18Å; F241-H244 PolarHBondContact O-N 3.19Å; F241-Y245 AromaticContact CD2-CD2 3.63Å; F241-Y245 HydrophobicContact CD2-CD2 3.63Å; F241-Y245 HydrophobicContact CD2-CE2 4.19Å; F241-Y245 AromaticContact CD2-CG 3.93Å; F241-Y245 HydrophobicContact CD2-CG 3.93Å; F241-Y245 AromaticContact CE2-CD1 3.88Å; F241-Y245 HydrophobicContact CE2-CD1 3.88Å; F241-Y245 AromaticContact CE2-CD2 3.68Å; F241-Y245 HydrophobicContact CE2-CD2 3.68Å; F241-Y245 HydrophobicContact CE2-CE1 4.36Å; F241-Y245 HydrophobicContact CE2-CE2 4.21Å; F241-Y245 AromaticContact CE2-CG 3.52Å; F241-Y245 HydrophobicContact CE2-CG 3.52Å; F241-Y245 HydrophobicContact CZ-CD1 4.39Å; F241-Y245 HydrophobicContact CZ-CG 4.11Å; F241-Y245 WeakPolarHBondContact O-CB 3.37Å; F241-Y245 PolarHBondContact O-N 2.9Å; F241-I286 HydrophobicContact CD2-CD1 3.66Å; F241-I286 HydrophobicContact CE2-CD1 3.9Å; F241-L297 HydrophobicContact CB-CD1 3.45Å; F241-L297 VanDerWaalsContact CB-CD1 3.45Å; F241-L297 HydrophobicContact CD1-CD1 4.09Å; F241-L297 HydrophobicContact CD2-CD1 4.22Å; F241-L297 HydrophobicContact CG-CD1 3.65Å; F241-F298 HydrophobicContact CB-CE2 3.91Å; F241-F298 HydrophobicContact CB-CZ 4.42Å; F241-F298 HydrophobicContact CD2-CE2 4.3Å; F241-F298 HydrophobicContact CD2-CZ 4.29Å
242	I	94.5	Very high	83.8	Confident	78 Å²	78	85.4 Å²	85.4	40%	0.4	43%	0.431	S	S	.	.	H	α-helix	trans	-62.2	-36.8	177.4	-65.8	166.7	0	0	0	110.8	K238 K239 G246	K238-I242 HydrophobicContact CG-CD1 4.01Å; K238-I242 WeakPolarHBondContact O-CG1 3.3Å; K238-I242 PolarHBondContact O-N 2.85Å; K238-I242 VanDerWaalsContact O-N 3.09Å; K239-I242 PolarHBondContact O-N 2.97Å; K239-I242 VanDerWaalsContact O-N 3.1Å; I242-G246 WeakPolarHBondContact O-CA 3.25Å; I242-G246 PolarHBondContact O-N 2.8Å
243	E	94	Very high	82.5	Confident	152 Å²	152	80.7 Å²	80.7	71%	0.71	42%	0.422	S	S	*	.	H	α-helix	trans	-65.3	-51.7	176.9	-178.1	177.3	-164.9	0	0	113.4	K239 F241	K239-E243 WeakPolarHBondContact O-CB 3.45Å; K239-E243 PolarHBondContact O-N 3.3Å; F241-E243 VanDerWaalsContact C-N 3.25Å; F241-E243 PolarHBondContact O-N 3.18Å
244	H	94	Very high	80.8	Confident	74 Å²	74	82.5 Å²	82.5	34%	0.343	44%	0.435	S	S	.	.	H	α-helix	trans	-79.6	-31.1	-178.8	-71.7	-74.3	0	0	0	114.2	R212 R240 F241 N279	R212-H244 WeakPolarHBondContact CD-O 3.39Å; R240-H244 VanDerWaalsContact CG-CD2 3.45Å; R240-H244 WeakPolarHBondContact CG-CD2 3.25Å; R240-H244 PolarHBondContact NE-NE2 2.93Å; R240-H244 PolarHBondContact O-CD2 3.08Å; R240-H244 VanDerWaalsContact O-CD2 3.26Å; R240-H244 PolarHBondContact O-N 2.66Å; F241-H244 PolarHBondContact O-N 3.19Å; H244-N279 PolarHBondContact O-ND2 3.46Å
245	Y	96	Very high	78.7	Confident	6 Å²	6	82.8 Å²	82.8	2%	0.024	44%	0.443	C	S	.	.	H	α-helix	trans	-115.3	-21.3	-170	-70.5	-106	0	0	0	114.9	R212 A215 Y216 F241 F284 R285 I286 F298	R212-Y245 HydrophobicContact CB-CD1 3.66Å; R212-Y245 HydrophobicContact CB-CE1 4.22Å; R212-Y245 HydrophobicContact CB-CG 4.2Å; R212-Y245 HydrophobicContact CG-CD1 3.68Å; R212-Y245 HydrophobicContact CG-CE1 3.76Å; R212-Y245 HydrophobicContact CG-CG 4.28Å; A215-Y245 HydrophobicContact CB-CD1 3.97Å; A215-Y245 HydrophobicContact CB-CE1 4.08Å; Y216-Y245 VanDerWaalsContact CB-O 3.27Å; Y216-Y245 WeakPolarHBondContact CB-O 3.48Å; F241-Y245 AromaticContact CD2-CD2 3.63Å; F241-Y245 HydrophobicContact CD2-CD2 3.63Å; F241-Y245 HydrophobicContact CD2-CE2 4.19Å; F241-Y245 AromaticContact CD2-CG 3.93Å; F241-Y245 HydrophobicContact CD2-CG 3.93Å; F241-Y245 AromaticContact CE2-CD1 3.88Å; F241-Y245 HydrophobicContact CE2-CD1 3.88Å; F241-Y245 AromaticContact CE2-CD2 3.68Å; F241-Y245 HydrophobicContact CE2-CD2 3.68Å; F241-Y245 HydrophobicContact CE2-CE1 4.36Å; F241-Y245 HydrophobicContact CE2-CE2 4.21Å; F241-Y245 AromaticContact CE2-CG 3.52Å; F241-Y245 HydrophobicContact CE2-CG 3.52Å; F241-Y245 HydrophobicContact CZ-CD1 4.39Å; F241-Y245 HydrophobicContact CZ-CG 4.11Å; F241-Y245 WeakPolarHBondContact O-CB 3.37Å; F241-Y245 PolarHBondContact O-N 2.9Å; Y245-F284 HydrophobicContact CE1-CB 4.18Å; Y245-F284 AromaticContact CE1-CD2 3.5Å; Y245-F284 HydrophobicContact CE1-CD2 3.5Å; Y245-F284 VanDerWaalsContact CE1-CD2 3.5Å; Y245-F284 HydrophobicContact CE1-CE2 4.15Å; Y245-F284 AromaticContact CE1-CG 3.97Å; Y245-F284 HydrophobicContact CE1-CG 3.97Å; Y245-R285 PolarHBondContact OH-O 3.16Å; Y245-R285 VanDerWaalsContact OH-O 3.13Å; Y245-I286 HydrophobicContact CE1-CG2 4.37Å; Y245-I286 HydrophobicContact CE2-CD1 4.41Å; Y245-F298 HydrophobicContact CD2-CZ 4.27Å; Y245-F298 AromaticContact CE2-CE1 3.89Å; Y245-F298 HydrophobicContact CE2-CE1 3.89Å; Y245-F298 AromaticContact CE2-CZ 3.92Å; Y245-F298 HydrophobicContact CE2-CZ 3.92Å
246	G	91.4	Very high	76.5	Confident	2 Å²	2	85.7 Å²	85.7	2%	0.021	45%	0.452	C	S	.	.	S	Bend	trans	-68.8	177	-179.9	0	0	0	0	0	113.2	I242	I242-G246 WeakPolarHBondContact O-CA 3.25Å; I242-G246 PolarHBondContact O-N 2.8Å
247	P	87.1	Confident	73.9	Confident	71 Å²	71	90 Å²	90	46%	0.461	47%	0.469	S	S	.	.	S	Bend	trans	-59.9	136.1	165.8	28.5	-33.8	0	0	0	109.3	A249	P247-A249 PolarHBondContact O-N 3.3Å
248	P	78.4	Confident	71.6	Confident	57 Å²	57	90.3 Å²	90.3	37%	0.37	47%	0.471	S	S	.	.			trans	-61	137.8	-177.5	26.3	-36.6	0	0	0	111	K250 R256	P248-K250 PolarHBondContact O-N 3.29Å; P248-K250 VanDerWaalsContact O-N 3.11Å; P248-R256 VanDerWaalsContact CG-NH2 3.27Å
249	A	67.9	Low	69.3	Low	111 Å²	111	90.8 Å²	90.8	92%	0.917	47%	0.473	S	S	*	.	S	Bend	trans	-64.8	-17.9	-169.8	0	0	0	0	0	114.3	P247	P247-A249 PolarHBondContact O-N 3.3Å
250	K	60.4	Low	66.8	Low	155 Å²	155	87.3 Å²	87.3	67%	0.674	46%	0.46	S	S	*	.	S	Bend	trans	-123.8	147.7	167.4	-68.8	-176	-179.5	178.4	0	110.1	P248 D252	P248-K250 PolarHBondContact O-N 3.29Å; P248-K250 VanDerWaalsContact O-N 3.11Å; K250-D252 VanDerWaalsContact C-N 3.27Å; K250-D252 WeakPolarHBondContact CB-OD1 3.26Å; K250-D252 PolarHBondContact O-N 3.21Å
251	V	57.5	Low	64.4	Low	90 Å²	90	87.7 Å²	87.7	55%	0.545	47%	0.468	S	S	.	.			trans	-83.6	80.7	165.7	178.4	0	0	0	0	106.3	S253	V251-S253 PolarHBondContact O-N 2.66Å; V251-S253 VanDerWaalsContact O-N 3.09Å
252	D	46.8	Very low	61.6	Low	87 Å²	87	95.6 Å²	95.6	47%	0.465	50%	0.498	S	S	.	.			trans	-61.9	117.2	-176.8	-66.3	-43.2	0	0	0	110.2	K250 S254	K250-D252 VanDerWaalsContact C-N 3.27Å; K250-D252 WeakPolarHBondContact CB-OD1 3.26Å; K250-D252 PolarHBondContact O-N 3.21Å; D252-S254 PolarHBondContact O-N 3.01Å
253	S	43.8	Very low	58.8	Low	92 Å²	92	102 Å²	102	64%	0.643	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.4	-167.2	50.8	0	0	0	0	113.6	V251 Q257	V251-S253 PolarHBondContact O-N 2.66Å; V251-S253 VanDerWaalsContact O-N 3.09Å; S253-Q257 WeakPolarHBondContact O-CB 3.46Å; S253-Q257 WeakPolarHBondContact O-CG 3.42Å; S253-Q257 PolarHBondContact O-NE2 3.19Å
254	S	42.1	Very low	56.4	Low	78 Å²	78	98.6 Å²	98.6	55%	0.545	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-58.4	169.7	49.4	0	0	0	0	111	D252 R256 Q257	D252-S254 PolarHBondContact O-N 3.01Å; S254-R256 VanDerWaalsContact C-N 3.32Å; S254-R256 PolarHBondContact O-N 3.26Å; S254-Q257 WeakPolarHBondContact O-CB 3.39Å; S254-Q257 PolarHBondContact O-N 3.2Å
255	D	43.2	Very low	54.5	Low	135 Å²	135	100.8 Å²	100.8	72%	0.722	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-19.9	-163.5	-63.5	21.8	0	0	0	111.6
256	R	46.4	Very low	52.6	Low	76 Å²	76	107.7 Å²	107.7	29%	0.287	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.1	6.8	177.5	-51.2	-164.1	-155.7	179.4	8.1	114.2	P248 S254 E258 F259 H260	P248-R256 VanDerWaalsContact CG-NH2 3.27Å; S254-R256 VanDerWaalsContact C-N 3.32Å; S254-R256 PolarHBondContact O-N 3.26Å; R256-E258 PolarHBondContact O-N 3.04Å; R256-E258 VanDerWaalsContact O-N 3.14Å; R256-F259 PolarHBondContact O-N 3.38Å; R256-F259 VanDerWaalsContact O-N 3.09Å; R256-H260 PolarHBondContact O-N 3.43Å
257	Q	39.2	Very low	51.5	Low	133 Å²	133	111.4 Å²	111.4	62%	0.621	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-8.3	-175.1	-134.5	175.2	100.5	0	0	114.3	S253 S254	S253-Q257 WeakPolarHBondContact O-CB 3.46Å; S253-Q257 WeakPolarHBondContact O-CG 3.42Å; S253-Q257 PolarHBondContact O-NE2 3.19Å; S254-Q257 WeakPolarHBondContact O-CB 3.39Å; S254-Q257 PolarHBondContact O-N 3.2Å
258	E	43.7	Very low	51.1	Low	114 Å²	114	109.4 Å²	109.4	53%	0.533	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.7	-24.5	169.4	-64.8	-155.4	112.7	0	0	114.1	R256 Y539	R256-E258 PolarHBondContact O-N 3.04Å; R256-E258 VanDerWaalsContact O-N 3.14Å; E258-Y539 HydrophobicContact CB-CE1 4.39Å; E258-Y539 WeakPolarHBondContact OE2-CE1 3.28Å; E258-Y539 VanDerWaalsContact OE2-CZ 3.25Å; E258-Y539 PolarHBondContact OE2-OH 2.98Å
259	F	45.3	Very low	51.5	Low	87 Å²	87	108.1 Å²	108.1	38%	0.382	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.5	-31.2	176.6	-61.8	-56.5	0	0	0	112.9	R256 M261 F272	R256-F259 PolarHBondContact O-N 3.38Å; R256-F259 VanDerWaalsContact O-N 3.09Å; F259-M261 PolarHBondContact O-N 3.11Å; F259-F272 AromaticContact CD1-CE1 3.67Å; F259-F272 HydrophobicContact CD1-CE1 3.67Å; F259-F272 HydrophobicContact CD1-CZ 4.12Å; F259-F272 AromaticContact CE1-CE1 3.36Å; F259-F272 HydrophobicContact CE1-CE1 3.36Å; F259-F272 AromaticContact CE1-CZ 3.32Å; F259-F272 HydrophobicContact CE1-CZ 3.32Å; F259-F272 HydrophobicContact CZ-CE1 4.03Å; F259-F272 AromaticContact CZ-CZ 3.68Å; F259-F272 HydrophobicContact CZ-CZ 3.68Å
260	H	40.1	Very low	52.4	Low	114 Å²	114	109.1 Å²	109.1	53%	0.528	56%	0.559	S	S	.	*	S	Bend	trans	-81.5	100.6	168.5	-72.2	-64.2	0	0	0	110.8	R256 R262	R256-H260 PolarHBondContact O-N 3.43Å; H260-R262 PolarHBondContact O-N 3.05Å
261	M	44	Very low	53.9	Low	126 Å²	126	104 Å²	104	62%	0.621	54%	0.539	S	S	*	.			trans	2.4	99.1	160.9	-66.4	-179.6	172.3	0	0	116.2	F259 K263 P267	F259-M261 PolarHBondContact O-N 3.11Å; M261-K263 PolarHBondContact O-N 3.08Å; M261-K263 VanDerWaalsContact O-N 3.11Å; M261-P267 HydrophobicContact CE-CB 4Å
262	R	38.7	Very low	55.5	Low	169 Å²	169	100.3 Å²	100.3	64%	0.638	52%	0.516	S	S	*	.			trans	-57.3	117.3	143.2	-67.2	-168.5	-174.3	-166	3.3	106.3	H260 G264 R265	H260-R262 PolarHBondContact O-N 3.05Å; R262-G264 PolarHBondContact O-N 2.93Å; R262-R265 HydrophobicContact CB-CG 4.48Å; R262-R265 PolarHBondContact O-N 2.72Å; R262-R265 VanDerWaalsContact O-N 3.14Å
263	K	35.3	Very low	57.6	Low	214 Å²	214	100.8 Å²	100.8	93%	0.93	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.3	123.6	-174.9	-69.2	-179.2	176.1	-179.6	0	110.6	M261	M261-K263 PolarHBondContact O-N 3.08Å; M261-K263 VanDerWaalsContact O-N 3.11Å
264	G	44.2	Very low	59.9	Low	80 Å²	80	99.9 Å²	99.9	83%	0.825	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	28.4	-177.8	0	0	0	0	0	116.2	R262	R262-G264 PolarHBondContact O-N 2.93Å
265	R	52.9	Low	62.2	Low	119 Å²	119	97.2 Å²	97.2	45%	0.449	48%	0.479	S	S	.	.	S	Bend	trans	-115.2	150.4	164.4	-66.6	-170.5	175.9	-172.5	-5.3	110.5	R262	R262-R265 HydrophobicContact CB-CG 4.48Å; R262-R265 PolarHBondContact O-N 2.72Å; R262-R265 VanDerWaalsContact O-N 3.14Å
266	Q	57.3	Low	64.5	Low	152 Å²	152	92.1 Å²	92.1	71%	0.71	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-55.2	143.6	179.7	-80.8	173.5	-40.4	0	0	111.3
267	P	67.9	Low	66.5	Low	80 Å²	80	91.8 Å²	91.8	52%	0.519	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-64.5	141.3	172.4	29	-34.2	0	0	0	110	M261	M261-P267 HydrophobicContact CE-CB 4Å
268	A	77.2	Confident	69	Low	28 Å²	28	86.4 Å²	86.4	23%	0.231	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-58.1	150.9	172.2	0	0	0	0	0	111.3	F272 K273	A268-F272 HydrophobicContact CB-CD1 4.19Å; A268-K273 HydrophobicContact CB-CG 4.37Å; A268-K273 WeakPolarHBondContact O-CE 3.33Å; A268-K273 PolarHBondContact O-NZ 3.39Å
269	P	87.3	Confident	71.3	Confident	30 Å²	30	82.8 Å²	82.8	20%	0.195	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-52.7	155.2	177.1	-28.8	36.4	0	0	0	114.3	D271 F272 K273 R538 E561	P269-D271 WeakPolarHBondContact CB-OD1 3.19Å; P269-F272 HydrophobicContact CB-CB 4.1Å; P269-K273 WeakPolarHBondContact O-CD 3.14Å; P269-K273 WeakPolarHBondContact O-CG 3.38Å; P269-K273 PolarHBondContact O-N 2.93Å; P269-K273 VanDerWaalsContact O-N 3.1Å; P269-R538 HydrophobicContact CG-CG 3.9Å; P269-E561 WeakPolarHBondContact CG-OE2 3.28Å
270	I	88	Confident	73.6	Confident	132 Å²	132	83.5 Å²	83.5	68%	0.677	42%	0.42	S	S	*	.	H	α-helix	trans	-73.7	-44.9	-174	-60.9	175.5	0	0	0	110.7	F272 K273 E274	I270-F272 PolarHBondContact O-N 3.5Å; I270-K273 PolarHBondContact O-N 3.37Å; I270-E274 HydrophobicContact CG2-CG 4.24Å; I270-E274 WeakPolarHBondContact O-CB 3.47Å; I270-E274 WeakPolarHBondContact O-CG 3.22Å; I270-E274 PolarHBondContact O-N 2.95Å
271	D	90.6	Very high	76.2	Confident	48 Å²	48	80.7 Å²	80.7	26%	0.257	41%	0.409	S	S	.	.	H	α-helix	trans	-52.9	-50.8	170.6	58.9	-32.8	0	0	0	111.5	H151 P269 K273 E274 L275 N557	H151-D271 PolarHBondContact CE1-O 3.04Å; P269-D271 WeakPolarHBondContact CB-OD1 3.19Å; D271-K273 PolarHBondContact O-N 3.32Å; D271-E274 PolarHBondContact O-N 3.32Å; D271-L275 VanDerWaalsContact O-CB 3.26Å; D271-L275 WeakPolarHBondContact O-CB 3.16Å; D271-L275 PolarHBondContact O-N 3.06Å; D271-N557 PolarHBondContact OD2-ND2 2.7Å
272	F	91.7	Very high	78.6	Confident	13 Å²	13	77 Å²	77	6%	0.057	39%	0.392	C	S	.	.	H	α-helix	trans	-58.1	-47.3	178.1	-179.4	-88.3	0	0	0	112.3	F259 A268 P269 I270 L275 F276 F535 Y536 R538	F259-F272 AromaticContact CD1-CE1 3.67Å; F259-F272 HydrophobicContact CD1-CE1 3.67Å; F259-F272 HydrophobicContact CD1-CZ 4.12Å; F259-F272 AromaticContact CE1-CE1 3.36Å; F259-F272 HydrophobicContact CE1-CE1 3.36Å; F259-F272 AromaticContact CE1-CZ 3.32Å; F259-F272 HydrophobicContact CE1-CZ 3.32Å; F259-F272 HydrophobicContact CZ-CE1 4.03Å; F259-F272 AromaticContact CZ-CZ 3.68Å; F259-F272 HydrophobicContact CZ-CZ 3.68Å; A268-F272 HydrophobicContact CB-CD1 4.19Å; P269-F272 HydrophobicContact CB-CB 4.1Å; I270-F272 PolarHBondContact O-N 3.5Å; F272-L275 PolarHBondContact O-N 2.92Å; F272-F276 HydrophobicContact CD1-CD2 4.45Å; F272-F276 AromaticContact CD2-CD2 3.62Å; F272-F276 HydrophobicContact CD2-CD2 3.62Å; F272-F276 AromaticContact CD2-CE2 3.71Å; F272-F276 HydrophobicContact CD2-CE2 3.71Å; F272-F276 HydrophobicContact CE1-CD2 4.2Å; F272-F276 AromaticContact CE2-CD2 3.34Å; F272-F276 HydrophobicContact CE2-CD2 3.34Å; F272-F276 AromaticContact CE2-CE2 3.41Å; F272-F276 HydrophobicContact CE2-CE2 3.41Å; F272-F276 VanDerWaalsContact CE2-CE2 3.41Å; F272-F276 HydrophobicContact CE2-CG 4.38Å; F272-F276 HydrophobicContact CE2-CZ 4.5Å; F272-F276 HydrophobicContact CG-CD2 4.18Å; F272-F276 AromaticContact CZ-CD2 3.64Å; F272-F276 HydrophobicContact CZ-CD2 3.64Å; F272-F276 HydrophobicContact CZ-CE2 4.12Å; F272-F276 HydrophobicContact CZ-CG 4.32Å; F272-F276 WeakPolarHBondContact O-CD2 3.26Å; F272-F276 PolarHBondContact O-N 3.48Å; F272-F276 VanDerWaalsContact O-N 3.08Å; F272-F535 VanDerWaalsContact CE2-O 3.28Å; F272-F535 WeakPolarHBondContact CE2-O 3.32Å; F272-Y536 WeakPolarHBondContact CE2-O 3.45Å; F272-Y536 WeakPolarHBondContact CZ-O 3.33Å; F272-R538 HydrophobicContact CB-CG 4.43Å; F272-R538 HydrophobicContact CD1-CB 4.41Å; F272-R538 HydrophobicContact CD2-CB 3.56Å; F272-R538 HydrophobicContact CD2-CG 4.11Å; F272-R538 HydrophobicContact CE2-CB 3.72Å; F272-R538 HydrophobicContact CG-CB 3.93Å; F272-R538 HydrophobicContact CG-CG 4.21Å; F272-R538 HydrophobicContact CZ-CB 4.25Å
273	K	90.6	Very high	81.4	Confident	96 Å²	96	71.5 Å²	71.5	42%	0.417	38%	0.379	S	S	.	.	H	α-helix	trans	-62.3	-44.3	176.8	-75.2	163.7	174.7	153.8	0	112.4	A268 P269 I270 D271 L275 K277	A268-K273 HydrophobicContact CB-CG 4.37Å; A268-K273 WeakPolarHBondContact O-CE 3.33Å; A268-K273 PolarHBondContact O-NZ 3.39Å; P269-K273 WeakPolarHBondContact O-CD 3.14Å; P269-K273 WeakPolarHBondContact O-CG 3.38Å; P269-K273 PolarHBondContact O-N 2.93Å; P269-K273 VanDerWaalsContact O-N 3.1Å; I270-K273 PolarHBondContact O-N 3.37Å; D271-K273 PolarHBondContact O-N 3.32Å; K273-L275 VanDerWaalsContact C-N 3.3Å; K273-K277 WeakPolarHBondContact O-CB 3.5Å; K273-K277 PolarHBondContact O-N 3.12Å; K273-K277 VanDerWaalsContact O-N 3.14Å
274	E	91.2	Very high	84.3	Confident	73 Å²	73	61.7 Å²	61.7	34%	0.341	34%	0.336	S	S	.	.	H	α-helix	trans	-75	-20.8	-176.6	-73.7	-61.9	127.1	0	0	113.1	H151 I270 D271 K277	H151-E274 HydrophobicContact CB-CB 3.89Å; H151-E274 HydrophobicContact CB-CG 4.29Å; H151-E274 VanDerWaalsContact ND1-CB 3.29Å; H151-E274 WeakPolarHBondContact ND1-CB 3.2Å; I270-E274 HydrophobicContact CG2-CG 4.24Å; I270-E274 WeakPolarHBondContact O-CB 3.47Å; I270-E274 WeakPolarHBondContact O-CG 3.22Å; I270-E274 PolarHBondContact O-N 2.95Å; D271-E274 PolarHBondContact O-N 3.32Å; E274-K277 VanDerWaalsContact O-CE 3.3Å; E274-K277 WeakPolarHBondContact O-CE 3.24Å; E274-K277 WeakPolarHBondContact O-CG 3.45Å; E274-K277 WeakPolarHBondContact OE2-CE 3.14Å; E274-K277 IonicContact OE2-NZ 2.82Å; E274-K277 PolarHBondContact OE2-NZ 3.13Å
275	L	91.9	Very high	86.9	Confident	23 Å²	23	63.2 Å²	63.2	12%	0.12	32%	0.317	C	S	.	.	H	α-helix	trans	-78.7	-50.2	171.6	-178.5	59.3	0	0	0	112.2	F211 D271 F272 K273 V344 F535	F211-L275 HydrophobicContact CD2-CD1 4.41Å; F211-L275 HydrophobicContact CE2-CD1 3.89Å; F211-L275 HydrophobicContact CE2-CG 4.12Å; D271-L275 VanDerWaalsContact O-CB 3.26Å; D271-L275 WeakPolarHBondContact O-CB 3.16Å; D271-L275 PolarHBondContact O-N 3.06Å; F272-L275 PolarHBondContact O-N 2.92Å; K273-L275 VanDerWaalsContact C-N 3.3Å; L275-V344 HydrophobicContact CD1-CG2 3.88Å; L275-F535 HydrophobicContact CD2-CE1 4.28Å; L275-F535 HydrophobicContact CD2-CE2 3.95Å; L275-F535 HydrophobicContact CD2-CZ 3.55Å
276	F	91.3	Very high	89	Confident	27 Å²	27	57.8 Å²	57.8	12%	0.118	30%	0.297	C	S	.	.	H	α-helix	trans	-91.7	10	-173.4	-69	-72.1	0	0	0	114.8	F211 F272 H280 F535 Y536	F211-F276 HydrophobicContact CE2-CD1 4.31Å; F211-F276 HydrophobicContact CE2-CE1 4Å; F211-F276 HydrophobicContact CZ-CD1 4.29Å; F211-F276 AromaticContact CZ-CE1 3.65Å; F211-F276 HydrophobicContact CZ-CE1 3.65Å; F211-F276 HydrophobicContact CZ-CZ 4.37Å; F272-F276 HydrophobicContact CD1-CD2 4.45Å; F272-F276 AromaticContact CD2-CD2 3.62Å; F272-F276 HydrophobicContact CD2-CD2 3.62Å; F272-F276 AromaticContact CD2-CE2 3.71Å; F272-F276 HydrophobicContact CD2-CE2 3.71Å; F272-F276 HydrophobicContact CE1-CD2 4.2Å; F272-F276 AromaticContact CE2-CD2 3.34Å; F272-F276 HydrophobicContact CE2-CD2 3.34Å; F272-F276 AromaticContact CE2-CE2 3.41Å; F272-F276 HydrophobicContact CE2-CE2 3.41Å; F272-F276 VanDerWaalsContact CE2-CE2 3.41Å; F272-F276 HydrophobicContact CE2-CG 4.38Å; F272-F276 HydrophobicContact CE2-CZ 4.5Å; F272-F276 HydrophobicContact CG-CD2 4.18Å; F272-F276 AromaticContact CZ-CD2 3.64Å; F272-F276 HydrophobicContact CZ-CD2 3.64Å; F272-F276 HydrophobicContact CZ-CE2 4.12Å; F272-F276 HydrophobicContact CZ-CG 4.32Å; F272-F276 WeakPolarHBondContact O-CD2 3.26Å; F272-F276 PolarHBondContact O-N 3.48Å; F272-F276 VanDerWaalsContact O-N 3.08Å; F276-H280 HydrophobicContact CD1-CB 3.99Å; F276-F535 HydrophobicContact CE2-CE1 4.41Å; F276-F535 WeakPolarHBondContact CE2-O 3.24Å; F276-F535 AromaticContact CZ-CD1 3.98Å; F276-F535 HydrophobicContact CZ-CD1 3.98Å; F276-F535 AromaticContact CZ-CE1 3.7Å; F276-F535 HydrophobicContact CZ-CE1 3.7Å; F276-F535 HydrophobicContact CZ-CZ 4.41Å; F276-Y536 AromaticContact CE1-CD1 3.56Å; F276-Y536 HydrophobicContact CE1-CD1 3.56Å; F276-Y536 AromaticContact CE1-CE1 3.87Å; F276-Y536 HydrophobicContact CE1-CE1 3.87Å; F276-Y536 AromaticContact CZ-CD1 3.54Å; F276-Y536 HydrophobicContact CZ-CD1 3.54Å; F276-Y536 AromaticContact CZ-CE1 3.98Å; F276-Y536 HydrophobicContact CZ-CE1 3.98Å; F276-Y536 HydrophobicContact CZ-CG 4.38Å
277	K	88.4	Confident	90.9	Very high	69 Å²	69	50.6 Å²	50.6	30%	0.3	26%	0.264	S	S	.	.	S	Bend	trans	-65.4	147.8	172.9	66.8	-177.3	179.8	-174.6	0	112	H213 K273 E274	H213-K277 WeakPolarHBondContact CB-O 3.15Å; H213-K277 PolarHBondContact CD2-O 2.86Å; H213-K277 VanDerWaalsContact CG-O 3.28Å; K273-K277 WeakPolarHBondContact O-CB 3.5Å; K273-K277 PolarHBondContact O-N 3.12Å; K273-K277 VanDerWaalsContact O-N 3.14Å; E274-K277 VanDerWaalsContact O-CE 3.3Å; E274-K277 WeakPolarHBondContact O-CE 3.24Å; E274-K277 WeakPolarHBondContact O-CG 3.45Å; E274-K277 WeakPolarHBondContact OE2-CE 3.14Å; E274-K277 IonicContact OE2-NZ 2.82Å; E274-K277 PolarHBondContact OE2-NZ 3.13Å
278	G	90.6	Very high	92.4	Very high	21 Å²	21	47 Å²	47	22%	0.216	24%	0.24	C	C	.	.	S	Bend	trans	75.2	-140.9	178.8	0	0	0	0	0	112.9
279	N	93	Very high	93.3	Very high	38 Å²	38	46 Å²	46	20%	0.203	23%	0.232	C	C	.	.			trans	-95.3	109.4	177.1	-170.4	-11.2	0	0	0	111	R212 H213 H244 D281	R212-N279 HydrophobicContact CB-CB 4.25Å; H213-N279 WeakPolarHBondContact CB-O 3.29Å; H213-N279 PolarHBondContact N-O 2.89Å; H244-N279 PolarHBondContact O-ND2 3.46Å; N279-D281 WeakPolarHBondContact OD1-CB 3.21Å; N279-D281 PolarHBondContact OD1-N 3.21Å
280	H	92.9	Very high	93.5	Very high	102 Å²	102	44.9 Å²	44.9	47%	0.472	22%	0.224	S	C	.	.			trans	-94.3	16.7	179.8	59.9	-101.2	0	0	0	114.2	F211 F276 D282	F211-H280 HydrophobicContact CD1-CB 4.2Å; F211-H280 WeakPolarHBondContact CD1-O 3.21Å; F211-H280 HydrophobicContact CE1-CB 4.47Å; F211-H280 WeakPolarHBondContact CE1-O 3.43Å; F211-H280 HydrophobicContact CG-CB 4.24Å; F276-H280 HydrophobicContact CD1-CB 3.99Å; H280-D282 PolarHBondContact O-N 3.26Å
281	D	94.6	Very high	93.2	Very high	55 Å²	55	40.3 Å²	40.3	29%	0.294	21%	0.206	S	C	.	.			trans	-60.7	124.6	170.3	-173.3	-32.8	0	0	0	110.2	R212 N279 C283 F284	R212-D281 HydrophobicContact CG-CB 4.37Å; R212-D281 IonicContact CZ-OD1 3.67Å; R212-D281 IonicContact CZ-OD2 3.51Å; R212-D281 PolarHBondContact N-O 3.01Å; R212-D281 IonicContact NH1-OD2 3.77Å; R212-D281 PolarHBondContact NH1-OD2 3Å; R212-D281 IonicContact NH2-OD1 2.96Å; R212-D281 PolarHBondContact NH2-OD1 2.52Å; R212-D281 IonicContact NH2-OD2 3.12Å; R212-D281 PolarHBondContact NH2-OD2 3.33Å; N279-D281 WeakPolarHBondContact OD1-CB 3.21Å; N279-D281 PolarHBondContact OD1-N 3.21Å; D281-C283 WeakPolarHBondContact OD1-CA 3.29Å; D281-C283 PolarHBondContact OD1-N 3.39Å; D281-F284 WeakPolarHBondContact O-CD1 3.43Å
282	D	95.3	Very high	92.4	Very high	49 Å²	49	46.7 Å²	46.7	26%	0.262	23%	0.232	S	C	.	.			trans	-102.5	7.3	-179.8	77.4	-29.5	0	0	0	113.3	P210 F211 H280 S310 Q348	P210-D282 WeakPolarHBondContact O-CB 3.43Å; F211-D282 HydrophobicContact CD1-CB 4.15Å; F211-D282 HydrophobicContact CE1-CB 4.33Å; H280-D282 PolarHBondContact O-N 3.26Å; D282-S310 WeakPolarHBondContact O-CB 3.25Å; D282-S310 PolarHBondContact O-OG 2.63Å; D282-Q348 VanDerWaalsContact CB-NE2 3.34Å
283	C	96.6	Very high	91.8	Very high	53 Å²	53	54.7 Å²	54.7	36%	0.358	27%	0.266	S	S	.	.			trans	-103.8	80.1	173.7	-169.9	0	0	0	0	109.6	R212 D281 L312	R212-C283 PolarHBondContact NH2-O 3.05Å; D281-C283 WeakPolarHBondContact OD1-CA 3.29Å; D281-C283 PolarHBondContact OD1-N 3.39Å; C283-L312 HydrophobicContact CB-CD2 4.1Å
284	F	97.6	Very high	91.7	Very high	7 Å²	7	51 Å²	51	3%	0.031	25%	0.253	C	S	.	.			trans	-151.4	154	-178	78	-91.2	0	0	0	115.2	V209 R212 A215 Y245 D281 I308 A309 S310	V209-F284 HydrophobicContact CG2-CE2 4.24Å; V209-F284 HydrophobicContact CG2-CZ 3.64Å; V209-F284 WeakPolarHBondContact O-CZ 3.41Å; R212-F284 HydrophobicContact CB-CD1 4.4Å; R212-F284 HydrophobicContact CG-CB 3.58Å; R212-F284 HydrophobicContact CG-CD1 3.54Å; R212-F284 HydrophobicContact CG-CD2 4.34Å; R212-F284 HydrophobicContact CG-CE1 4.34Å; R212-F284 HydrophobicContact CG-CG 3.54Å; A215-F284 HydrophobicContact CB-CE2 3.83Å; A215-F284 HydrophobicContact CB-CZ 4.2Å; Y245-F284 HydrophobicContact CE1-CB 4.18Å; Y245-F284 AromaticContact CE1-CD2 3.5Å; Y245-F284 HydrophobicContact CE1-CD2 3.5Å; Y245-F284 VanDerWaalsContact CE1-CD2 3.5Å; Y245-F284 HydrophobicContact CE1-CE2 4.15Å; Y245-F284 AromaticContact CE1-CG 3.97Å; Y245-F284 HydrophobicContact CE1-CG 3.97Å; D281-F284 WeakPolarHBondContact O-CD1 3.43Å; F284-I308 HydrophobicContact CE2-CG2 4.48Å; F284-A309 VanDerWaalsContact CE2-C 3.46Å; F284-S310 VanDerWaalsContact CE1-CB 3.46Å; F284-S310 PolarHBondContact N-OG 2.98Å; F284-S310 PolarHBondContact O-N 3.15Å; F284-S310 PolarHBondContact O-OG 3.41Å
285	R	97.3	Very high	91.8	Very high	113 Å²	113	47.8 Å²	47.8	43%	0.426	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	145.3	172.8	56.8	-175.2	176.2	-124.7	13.6	110.4	Y245 F301 I308 A309 G313 M316	Y245-R285 PolarHBondContact OH-O 3.16Å; Y245-R285 VanDerWaalsContact OH-O 3.13Å; R285-F301 HydrophobicContact CB-CE1 4.46Å; R285-F301 HydrophobicContact CB-CZ 3.99Å; R285-F301 HydrophobicContact CG-CZ 4.27Å; R285-I308 CarbonylContact C-O 3.34Å; R285-A309 HydrophobicContact CB-CB 4.08Å; R285-G313 WeakPolarHBondContact CD-O 3.49Å; R285-G313 PolarHBondContact NH1-O 3.1Å; R285-M316 PolarHBondContact NH1-O 3.28Å
286	I	97.9	Very high	92	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	124.7	176.2	-171.5	170.3	0	0	0	111.2	F241 Y245 L288 L297 F298 I308	F241-I286 HydrophobicContact CD2-CD1 3.66Å; F241-I286 HydrophobicContact CE2-CD1 3.9Å; Y245-I286 HydrophobicContact CE1-CG2 4.37Å; Y245-I286 HydrophobicContact CE2-CD1 4.41Å; I286-L288 HydrophobicContact CD1-CD2 4.33Å; I286-L288 HydrophobicContact CG1-CD2 4.24Å; I286-L297 HydrophobicContact CD1-CB 4.17Å; I286-F298 HydrophobicContact CD1-CD1 3.83Å; I286-F298 HydrophobicContact CD1-CD2 3.93Å; I286-F298 HydrophobicContact CD1-CE1 3.84Å; I286-F298 HydrophobicContact CD1-CE2 3.94Å; I286-F298 HydrophobicContact CD1-CG 3.88Å; I286-F298 HydrophobicContact CD1-CZ 3.89Å; I286-F298 HydrophobicContact CG1-CD1 3.98Å; I286-F298 HydrophobicContact CG1-CE1 4.35Å; I286-F298 HydrophobicContact CG1-CG 4.15Å; I286-I308 HydrophobicContact CG2-CB 3.91Å; I286-I308 PolarHBondContact N-O 2.98Å; I286-I308 PolarHBondContact O-N 3.28Å
287	G	98	Very high	92.3	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.021	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	139.8	167.1	0	0	0	0	0	111.2	F298 V299	G287-F298 PolarHBondContact O-N 2.78Å; G287-F298 VanDerWaalsContact O-N 3.15Å; G287-V299 VanDerWaalsContact CA-O 3.27Å; G287-V299 WeakPolarHBondContact CA-O 3.44Å; G287-V299 PolarHBondContact O-N 3.14Å
288	L	97.6	Very high	92.7	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.026	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.6	177.6	-57.5	-173.4	0	0	0	110.2	V219 M222 I286 K296 L297 S304 D305 M306 I308	V219-L288 HydrophobicContact CG2-CD1 4.25Å; M222-L288 HydrophobicContact SD-CD1 4.12Å; I286-L288 HydrophobicContact CD1-CD2 4.33Å; I286-L288 HydrophobicContact CG1-CD2 4.24Å; L288-K296 WeakPolarHBondContact CA-O 3.26Å; L288-L297 HydrophobicContact CD2-CD2 3.55Å; L288-S304 WeakPolarHBondContact O-CA 3.38Å; L288-S304 WeakPolarHBondContact O-CB 3.22Å; L288-D305 PolarHBondContact O-N 2.9Å; L288-M306 HydrophobicContact CB-CB 4.4Å; L288-M306 HydrophobicContact CD1-SD 4.45Å; L288-M306 PolarHBondContact N-O 3.25Å; L288-M306 PolarHBondContact O-N 2.63Å; L288-I308 HydrophobicContact CD1-CD1 3.57Å; L288-I308 HydrophobicContact CD1-CG1 4.04Å; L288-I308 HydrophobicContact CG-CD1 4.39Å; L288-I308 HydrophobicContact CG-CG1 4.47Å
289	G	96	Very high	93	Very high	5 Å²	5	50 Å²	50	5%	0.052	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.4	173.5	0	0	0	0	0	111.2	K296 D305	G289-K296 PolarHBondContact N-O 3.18Å; G289-K296 WeakPolarHBondContact O-CB 3.49Å; G289-K296 PolarHBondContact O-N 3.39Å; G289-D305 WeakPolarHBondContact CA-OD2 3.44Å
290	M	91.5	Very high	93.1	Very high	7 Å²	7	52.8 Å²	52.8	3%	0.034	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	144.7	178.9	-167.1	-165.9	-62.1	0	0	111.2	L166 I169 L170 R173 D305	L166-M290 HydrophobicContact CB-CE 4.35Å; L166-M290 HydrophobicContact CD2-CE 3.35Å; L166-M290 HydrophobicContact CG-CE 4.45Å; I169-M290 HydrophobicContact CB-CE 3.71Å; I169-M290 HydrophobicContact CB-SD 4.42Å; I169-M290 HydrophobicContact CD1-CE 3.99Å; I169-M290 HydrophobicContact CG1-CE 4.48Å; I169-M290 HydrophobicContact CG2-CB 3.99Å; I169-M290 HydrophobicContact CG2-CE 3.64Å; I169-M290 HydrophobicContact CG2-SD 3.9Å; L170-M290 HydrophobicContact CD2-SD 3.51Å; L170-M290 VanDerWaalsContact CD2-SD 3.51Å; L170-M290 HydrophobicContact CG-CE 4.38Å; L170-M290 HydrophobicContact CG-SD 3.67Å; R173-M290 PolarHBondContact NE-O 2.99Å; R173-M290 VanDerWaalsContact NE-O 3.15Å; R173-M290 PolarHBondContact NH1-O 3.3Å; R173-M290 VanDerWaalsContact NH1-O 3.11Å; M290-D305 PolarHBondContact N-OD2 2.69Å
291	A	83	Confident	93.3	Very high	37 Å²	37	48.9 Å²	48.9	31%	0.306	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	177.2	154.3	0	0	0	0	0	110.6	K293 S294	A291-K293 PolarHBondContact O-N 3.21Å; A291-S294 WeakPolarHBondContact CB-OG 3.43Å; A291-S294 PolarHBondContact N-O 3.37Å; A291-S294 PolarHBondContact O-N 3.11Å
292	K	74.3	Confident	93.3	Very high	182 Å²	182	48.9 Å²	48.9	79%	0.791	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-26.9	-163.2	-168.6	173.9	-178.3	175.9	0	116.5
293	K	77.3	Confident	93.3	Very high	180 Å²	180	49.3 Å²	49.3	78%	0.783	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-144.8	33.4	172.4	-65.5	-168.9	175.8	-171.1	0	112.4	F227 A291	F227-K293 WeakPolarHBondContact CE1-O 3.48Å; A291-K293 PolarHBondContact O-N 3.21Å
294	S	89	Confident	93.3	Very high	20 Å²	20	46.8 Å²	46.8	14%	0.14	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	139.3	-174.6	61.5	0	0	0	0	113.3	F234 A291	F234-S294 WeakPolarHBondContact O-CA 3.48Å; A291-S294 WeakPolarHBondContact CB-OG 3.43Å; A291-S294 PolarHBondContact N-O 3.37Å; A291-S294 PolarHBondContact O-N 3.11Å
295	L	94.2	Very high	93.2	Very high	4 Å²	4	47 Å²	47	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	113.9	170.3	-174.7	64.9	0	0	0	109.4	I223 L226 F227 F234 V235 T236 L297	I223-L295 HydrophobicContact CG1-CD2 3.88Å; L226-L295 HydrophobicContact CD1-CB 4.11Å; L226-L295 HydrophobicContact CD1-CD1 4.4Å; L226-L295 HydrophobicContact CD1-CD2 4.31Å; F227-L295 HydrophobicContact CE2-CB 4.36Å; F234-L295 PolarHBondContact O-N 3.17Å; V235-L295 CarbonylContact C-O 3.53Å; V235-L295 VanDerWaalsContact CA-O 3.25Å; V235-L295 WeakPolarHBondContact CA-O 3.38Å; V235-L295 HydrophobicContact CG2-CB 4.48Å; T236-L295 PolarHBondContact N-O 2.93Å; L295-L297 HydrophobicContact CD2-CD2 3.79Å; L295-L297 HydrophobicContact CG-CD2 3.8Å
296	K	96	Very high	93.3	Very high	110 Å²	110	41.7 Å²	41.7	48%	0.478	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.7	172.3	-62.2	-172.4	176.4	-173.1	0	108.6	L288 G289 V299	L288-K296 WeakPolarHBondContact CA-O 3.26Å; G289-K296 PolarHBondContact N-O 3.18Å; G289-K296 WeakPolarHBondContact O-CB 3.49Å; G289-K296 PolarHBondContact O-N 3.39Å; K296-V299 HydrophobicContact CB-CG2 3.46Å; K296-V299 VanDerWaalsContact CB-CG2 3.46Å; K296-V299 WeakPolarHBondContact O-CG2 3.44Å
297	L	96.6	Very high	93.3	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	153.9	173.7	-48.4	-178.6	0	0	0	109.3	V219 V235 T236 H237 F241 I286 L288 L295 V299	V219-L297 HydrophobicContact CG1-CD2 4.1Å; V235-L297 HydrophobicContact CG1-CD1 3.65Å; V235-L297 HydrophobicContact CG1-CD2 4.31Å; V235-L297 HydrophobicContact CG1-CG 3.83Å; T236-L297 WeakPolarHBondContact O-CB 3.2Å; T236-L297 WeakPolarHBondContact O-CG 3.41Å; T236-L297 PolarHBondContact O-N 2.73Å; H237-L297 PolarHBondContact CD2-O 3.46Å; F241-L297 HydrophobicContact CB-CD1 3.45Å; F241-L297 VanDerWaalsContact CB-CD1 3.45Å; F241-L297 HydrophobicContact CD1-CD1 4.09Å; F241-L297 HydrophobicContact CD2-CD1 4.22Å; F241-L297 HydrophobicContact CG-CD1 3.65Å; I286-L297 HydrophobicContact CD1-CB 4.17Å; L288-L297 HydrophobicContact CD2-CD2 3.55Å; L295-L297 HydrophobicContact CD2-CD2 3.79Å; L295-L297 HydrophobicContact CG-CD2 3.8Å; L297-V299 VanDerWaalsContact C-N 3.31Å; L297-V299 PolarHBondContact O-N 3.36Å
298	F	96.7	Very high	93.3	Very high	48 Å²	48	41.4 Å²	41.4	21%	0.211	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.8	39.8	-177.3	-52.4	-88.7	0	0	0	113.7	H237 R240 F241 Y245 I286 G287	H237-F298 HydrophobicContact CB-CD2 3.85Å; H237-F298 HydrophobicContact CB-CE2 4.4Å; R240-F298 HydrophobicContact CB-CE2 4.15Å; R240-F298 HydrophobicContact CG-CD2 4.46Å; R240-F298 HydrophobicContact CG-CE2 3.8Å; R240-F298 HydrophobicContact CG-CZ 3.9Å; F241-F298 HydrophobicContact CB-CE2 3.91Å; F241-F298 HydrophobicContact CB-CZ 4.42Å; F241-F298 HydrophobicContact CD2-CE2 4.3Å; F241-F298 HydrophobicContact CD2-CZ 4.29Å; Y245-F298 HydrophobicContact CD2-CZ 4.27Å; Y245-F298 AromaticContact CE2-CE1 3.89Å; Y245-F298 HydrophobicContact CE2-CE1 3.89Å; Y245-F298 AromaticContact CE2-CZ 3.92Å; Y245-F298 HydrophobicContact CE2-CZ 3.92Å; I286-F298 HydrophobicContact CD1-CD1 3.83Å; I286-F298 HydrophobicContact CD1-CD2 3.93Å; I286-F298 HydrophobicContact CD1-CE1 3.84Å; I286-F298 HydrophobicContact CD1-CE2 3.94Å; I286-F298 HydrophobicContact CD1-CG 3.88Å; I286-F298 HydrophobicContact CD1-CZ 3.89Å; I286-F298 HydrophobicContact CG1-CD1 3.98Å; I286-F298 HydrophobicContact CG1-CE1 4.35Å; I286-F298 HydrophobicContact CG1-CG 4.15Å; G287-F298 PolarHBondContact O-N 2.78Å; G287-F298 VanDerWaalsContact O-N 3.15Å
299	V	96.7	Very high	93.3	Very high	29 Å²	29	41.2 Å²	41.2	18%	0.176	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	145.2	168.4	-169.8	0	0	0	0	108.6	G287 K296 L297 S303	G287-V299 VanDerWaalsContact CA-O 3.27Å; G287-V299 WeakPolarHBondContact CA-O 3.44Å; G287-V299 PolarHBondContact O-N 3.14Å; K296-V299 HydrophobicContact CB-CG2 3.46Å; K296-V299 VanDerWaalsContact CB-CG2 3.46Å; K296-V299 WeakPolarHBondContact O-CG2 3.44Å; L297-V299 VanDerWaalsContact C-N 3.31Å; L297-V299 PolarHBondContact O-N 3.36Å; V299-S303 VanDerWaalsContact CG1-O 3.31Å; V299-S303 WeakPolarHBondContact CG1-O 3.35Å
300	D	96	Very high	93.4	Very high	95 Å²	95	41 Å²	41	51%	0.508	20%	0.202	S	C	.	.			trans	-54.8	151.3	167.7	169.3	-103.2	0	0	0	111.5	Y302 S303 S304	D300-Y302 PolarHBondContact OD1-N 2.63Å; D300-S303 CarbonylContact O-C 3.53Å; D300-S303 PolarHBondContact O-N 2.95Å; D300-S303 VanDerWaalsContact O-N 3.15Å; D300-S303 PolarHBondContact OD1-N 2.59Å; D300-S304 WeakPolarHBondContact O-CB 3.3Å; D300-S304 PolarHBondContact O-N 2.93Å
301	F	96.3	Very high	93.8	Very high	21 Å²	21	40.7 Å²	40.7	9%	0.092	20%	0.2	C	C	.	.	S	Bend	trans	-59.9	-50.4	-175.7	-72.7	-7.7	0	0	0	112.7	P203 R285 S303 S304 I307 L314 A317 Y330	P203-F301 WeakPolarHBondContact CG-O 3.09Å; R285-F301 HydrophobicContact CB-CE1 4.46Å; R285-F301 HydrophobicContact CB-CZ 3.99Å; R285-F301 HydrophobicContact CG-CZ 4.27Å; F301-S303 PolarHBondContact O-N 3.5Å; F301-S303 VanDerWaalsContact O-N 3.17Å; F301-S304 WeakPolarHBondContact O-CB 3.48Å; F301-S304 PolarHBondContact O-N 3.29Å; F301-S304 PolarHBondContact O-OG 3.48Å; F301-I307 HydrophobicContact CB-CD1 4.1Å; F301-I307 HydrophobicContact CD1-CD1 3.94Å; F301-I307 HydrophobicContact CD1-CG1 3.91Å; F301-I307 HydrophobicContact CD1-CG2 4.42Å; F301-I307 HydrophobicContact CD2-CD1 4.07Å; F301-I307 HydrophobicContact CE1-CD1 4.29Å; F301-I307 HydrophobicContact CE1-CG1 4.17Å; F301-I307 HydrophobicContact CE1-CG2 3.8Å; F301-I307 HydrophobicContact CE2-CD1 4.41Å; F301-I307 HydrophobicContact CG-CD1 3.79Å; F301-I307 HydrophobicContact CG-CG1 4.28Å; F301-I307 HydrophobicContact CZ-CD1 4.5Å; F301-I307 HydrophobicContact CZ-CG2 3.93Å; F301-L314 HydrophobicContact CE2-CD1 4.02Å; F301-L314 HydrophobicContact CZ-CD1 4.25Å; F301-A317 HydrophobicContact CE2-CB 3.9Å; F301-Y330 HydrophobicContact CB-CD2 4.28Å; F301-Y330 HydrophobicContact CB-CG 4.12Å; F301-Y330 HydrophobicContact CD2-CD1 4.19Å; F301-Y330 AromaticContact CD2-CD2 3.7Å; F301-Y330 HydrophobicContact CD2-CD2 3.7Å; F301-Y330 AromaticContact CD2-CE1 3.97Å; F301-Y330 HydrophobicContact CD2-CE1 3.97Å; F301-Y330 AromaticContact CD2-CE2 3.47Å; F301-Y330 HydrophobicContact CD2-CE2 3.47Å; F301-Y330 VanDerWaalsContact CD2-CE2 3.47Å; F301-Y330 HydrophobicContact CD2-CG 4.06Å; F301-Y330 AromaticContact CD2-CZ 3.6Å; F301-Y330 HydrophobicContact CE2-CD2 4.36Å; F301-Y330 AromaticContact CE2-CE2 3.73Å; F301-Y330 HydrophobicContact CE2-CE2 3.73Å; F301-Y330 AromaticContact CE2-CZ 3.83Å; F301-Y330 HydrophobicContact CG-CD2 4.34Å; F301-Y330 HydrophobicContact CG-CE2 4.49Å
302	Y	95.4	Very high	94.4	Very high	54 Å²	54	41 Å²	41	21%	0.212	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.1	177.9	-67.2	-81.7	0	0	0	113	T201 R202 D300 D327 D329 Y330 H368	T201-Y302 HydrophobicContact CG2-CD1 4.17Å; T201-Y302 HydrophobicContact CG2-CE1 3.97Å; R202-Y302 VanDerWaalsContact CB-O 3.28Å; R202-Y302 WeakPolarHBondContact CB-O 3.41Å; D300-Y302 PolarHBondContact OD1-N 2.63Å; Y302-D327 WeakPolarHBondContact CE2-OD2 3.33Å; Y302-D327 PolarHBondContact OH-OD1 3.47Å; Y302-D327 PolarHBondContact OH-OD2 2.93Å; Y302-D329 HydrophobicContact CE1-CB 4.35Å; Y302-D329 WeakPolarHBondContact OH-CB 3.34Å; Y302-Y330 AromaticContact CE2-CD1 3.96Å; Y302-Y330 HydrophobicContact CE2-CD1 3.96Å; Y302-Y330 AromaticContact CZ-CD1 3.88Å; Y302-H368 HydrophobicContact CD1-CB 4.08Å; Y302-H368 AromaticContact CD1-CG 3.77Å; Y302-H368 AromaticContact CD1-ND1 3.81Å; Y302-H368 HydrophobicContact CE1-CB 4.21Å; Y302-H368 AromaticContact CE1-CD2 3.55Å; Y302-H368 AromaticContact CE1-CE1 3.45Å; Y302-H368 VanDerWaalsContact CE1-CE1 3.45Å; Y302-H368 WeakPolarHBondContact CE1-CE1 3.48Å; Y302-H368 AromaticContact CE1-CG 3.42Å; Y302-H368 VanDerWaalsContact CE1-CG 3.42Å; Y302-H368 AromaticContact CE1-ND1 3.38Å; Y302-H368 WeakPolarHBondContact CE1-ND1 3.24Å; Y302-H368 AromaticContact CE1-NE2 3.57Å; Y302-H368 AromaticContact CZ-CE1 3.4Å; Y302-H368 VanDerWaalsContact CZ-CE1 3.4Å; Y302-H368 AromaticContact CZ-ND1 3.67Å; Y302-H368 AromaticContact CZ-NE2 3.78Å; Y302-H368 PolarHBondContact OH-CE1 2.82Å; Y302-H368 VanDerWaalsContact OH-CE1 3.28Å; Y302-H368 PolarHBondContact OH-NE2 2.8Å
303	S	94.7	Very high	95.5	Very high	59 Å²	59	32.4 Å²	32.4	41%	0.413	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-1	173.8	-74.1	0	0	0	0	114.8	R202 V299 D300 F301	R202-S303 PolarHBondContact NH1-O 2.7Å; R202-S303 PolarHBondContact NH2-O 2.69Å; V299-S303 VanDerWaalsContact CG1-O 3.31Å; V299-S303 WeakPolarHBondContact CG1-O 3.35Å; D300-S303 CarbonylContact O-C 3.53Å; D300-S303 PolarHBondContact O-N 2.95Å; D300-S303 VanDerWaalsContact O-N 3.15Å; D300-S303 PolarHBondContact OD1-N 2.59Å; F301-S303 PolarHBondContact O-N 3.5Å; F301-S303 VanDerWaalsContact O-N 3.17Å
304	S	96.4	Very high	96.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.			trans	-91.1	152.5	-179.4	75.3	0	0	0	0	111.9	R202 L288 D300 F301	R202-S304 CarbonylContact C-O 3.57Å; R202-S304 WeakPolarHBondContact CG-O 3.38Å; L288-S304 WeakPolarHBondContact O-CA 3.38Å; L288-S304 WeakPolarHBondContact O-CB 3.22Å; D300-S304 WeakPolarHBondContact O-CB 3.3Å; D300-S304 PolarHBondContact O-N 2.93Å; F301-S304 WeakPolarHBondContact O-CB 3.48Å; F301-S304 PolarHBondContact O-N 3.29Å; F301-S304 PolarHBondContact O-OG 3.48Å
305	D	97	Very high	96.8	Very high	11 Å²	11	25.4 Å²	25.4	6%	0.059	13%	0.125	C	C	.	.	S	Bend	trans	-93.8	-21.2	168.6	-51.5	-65.5	0	0	0	110.8	I169 R173 R202 R204 L288 G289 M290	I169-D305 HydrophobicContact CD1-CB 4.38Å; I169-D305 HydrophobicContact CG1-CB 4.39Å; I169-D305 HydrophobicContact CG2-CB 3.94Å; R173-D305 IonicContact NH1-OD1 3.63Å; R173-D305 PolarHBondContact NH1-OD1 3.14Å; R173-D305 IonicContact NH1-OD2 2.63Å; R173-D305 PolarHBondContact NH1-OD2 3.33Å; R202-D305 IonicContact CZ-OD1 2.71Å; R202-D305 VanDerWaalsContact CZ-OD1 3.25Å; R202-D305 IonicContact NE-OD1 2.89Å; R202-D305 PolarHBondContact NE-OD1 3.08Å; R202-D305 IonicContact NH2-OD1 3.31Å; R202-D305 PolarHBondContact NH2-OD1 3.41Å; R202-D305 IonicContact NH2-OD2 2.73Å; R202-D305 PolarHBondContact NH2-OD2 3.41Å; R204-D305 PolarHBondContact N-O 2.88Å; R204-D305 VanDerWaalsContact N-O 3.08Å; L288-D305 PolarHBondContact O-N 2.9Å; G289-D305 WeakPolarHBondContact CA-OD2 3.44Å; M290-D305 PolarHBondContact N-OD2 2.69Å
306	M	97.9	Very high	96.8	Very high	2 Å²	2	30 Å²	30	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	140.2	-179.3	171.7	170.8	-167.9	0	0	111.3	A165 I169 I205 L207 M222 L288 I308	A165-M306 HydrophobicContact CB-CE 4.07Å; A165-M306 HydrophobicContact CB-SD 3.98Å; I169-M306 HydrophobicContact CD1-CB 3.98Å; I169-M306 HydrophobicContact CD1-SD 4.4Å; I205-M306 HydrophobicContact CB-CB 4.03Å; I205-M306 HydrophobicContact CB-CE 4.45Å; I205-M306 HydrophobicContact CB-CG 3.82Å; I205-M306 HydrophobicContact CB-SD 4.16Å; I205-M306 HydrophobicContact CD1-SD 4.5Å; I205-M306 HydrophobicContact CG2-CE 3.68Å; I205-M306 HydrophobicContact CG2-CG 4.06Å; I205-M306 HydrophobicContact CG2-SD 4Å; I205-M306 CarbonylContact O-C 3.6Å; I205-M306 VanDerWaalsContact O-CA 3.31Å; I205-M306 WeakPolarHBondContact O-CA 3.42Å; L207-M306 HydrophobicContact CB-CE 3.47Å; L207-M306 VanDerWaalsContact CB-CE 3.47Å; L207-M306 HydrophobicContact CD2-CE 3.69Å; L207-M306 HydrophobicContact CG-CE 4.23Å; M222-M306 HydrophobicContact CE-CE 3.68Å; M222-M306 HydrophobicContact CE-SD 3.67Å; L288-M306 HydrophobicContact CB-CB 4.4Å; L288-M306 HydrophobicContact CD1-SD 4.45Å; L288-M306 PolarHBondContact N-O 3.25Å; L288-M306 PolarHBondContact O-N 2.63Å; M306-I308 HydrophobicContact CE-CD1 4.25Å; M306-I308 HydrophobicContact CE-CG1 4.02Å; M306-I308 HydrophobicContact CG-CG1 4.39Å
307	I	98.5	Very high	96.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131	172.9	-61.8	172.7	0	0	0	108.6	P203 I205 L206 L207 F301 A309 Y330 L331	P203-I307 HydrophobicContact CB-CD1 4.04Å; P203-I307 HydrophobicContact CB-CG1 4.31Å; P203-I307 HydrophobicContact CG-CD1 4.07Å; P203-I307 HydrophobicContact CG-CG1 4.49Å; I205-I307 PolarHBondContact O-N 2.92Å; L206-I307 HydrophobicContact CD1-CB 4.15Å; L206-I307 HydrophobicContact CD1-CG2 4Å; L207-I307 PolarHBondContact N-O 2.85Å; F301-I307 HydrophobicContact CB-CD1 4.1Å; F301-I307 HydrophobicContact CD1-CD1 3.94Å; F301-I307 HydrophobicContact CD1-CG1 3.91Å; F301-I307 HydrophobicContact CD1-CG2 4.42Å; F301-I307 HydrophobicContact CD2-CD1 4.07Å; F301-I307 HydrophobicContact CE1-CD1 4.29Å; F301-I307 HydrophobicContact CE1-CG1 4.17Å; F301-I307 HydrophobicContact CE1-CG2 3.8Å; F301-I307 HydrophobicContact CE2-CD1 4.41Å; F301-I307 HydrophobicContact CG-CD1 3.79Å; F301-I307 HydrophobicContact CG-CG1 4.28Å; F301-I307 HydrophobicContact CZ-CD1 4.5Å; F301-I307 HydrophobicContact CZ-CG2 3.93Å; I307-A309 HydrophobicContact CG2-CB 4.35Å; I307-Y330 HydrophobicContact CD1-CD2 3.8Å; I307-Y330 HydrophobicContact CD1-CE2 4.3Å; I307-L331 HydrophobicContact CD1-CD2 4.29Å
308	I	98.5	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.4	167	-51	-175.3	0	0	0	108.2	L207 V209 A215 V219 F284 R285 I286 L288 M306	L207-I308 HydrophobicContact CB-CG1 4.27Å; L207-I308 HydrophobicContact CD2-CD1 4.01Å; L207-I308 HydrophobicContact CD2-CG1 4.11Å; L207-I308 HydrophobicContact CD2-CG2 4.15Å; L207-I308 HydrophobicContact CG-CG2 4.21Å; L207-I308 WeakPolarHBondContact O-CA 3.43Å; V209-I308 HydrophobicContact CG2-CG2 4.32Å; A215-I308 HydrophobicContact CB-CG2 3.79Å; V219-I308 HydrophobicContact CG2-CD1 3.63Å; F284-I308 HydrophobicContact CE2-CG2 4.48Å; R285-I308 CarbonylContact C-O 3.34Å; I286-I308 HydrophobicContact CG2-CB 3.91Å; I286-I308 PolarHBondContact N-O 2.98Å; I286-I308 PolarHBondContact O-N 3.28Å; L288-I308 HydrophobicContact CD1-CD1 3.57Å; L288-I308 HydrophobicContact CD1-CG1 4.04Å; L288-I308 HydrophobicContact CG-CD1 4.39Å; L288-I308 HydrophobicContact CG-CG1 4.47Å; M306-I308 HydrophobicContact CE-CD1 4.25Å; M306-I308 HydrophobicContact CE-CG1 4.02Å; M306-I308 HydrophobicContact CG-CG1 4.39Å
309	A	98.5	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	164.1	-177.3	0	0	0	0	0	113.6	L207 L208 V209 F284 R285 I307 L314	L207-A309 PolarHBondContact O-N 3.03Å; L208-A309 WeakPolarHBondContact CA-O 3.47Å; V209-A309 PolarHBondContact N-O 3.43Å; F284-A309 VanDerWaalsContact CE2-C 3.46Å; R285-A309 HydrophobicContact CB-CB 4.08Å; I307-A309 HydrophobicContact CG2-CB 4.35Å; A309-L314 HydrophobicContact CB-CB 3.85Å; A309-L314 HydrophobicContact CB-CD2 4.5Å
310	S	98.3	Very high	96.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.			trans	-81.5	155.1	160.3	46.5	0	0	0	0	110.4	V209 D282 F284 L312 G313 L314	V209-S310 WeakPolarHBondContact O-CA 3.45Å; D282-S310 WeakPolarHBondContact O-CB 3.25Å; D282-S310 PolarHBondContact O-OG 2.63Å; F284-S310 VanDerWaalsContact CE1-CB 3.46Å; F284-S310 PolarHBondContact N-OG 2.98Å; F284-S310 PolarHBondContact O-N 3.15Å; F284-S310 PolarHBondContact O-OG 3.41Å; S310-L312 VanDerWaalsContact C-N 3.28Å; S310-L312 PolarHBondContact O-N 3.44Å; S310-G313 PolarHBondContact O-N 3.46Å; S310-G313 VanDerWaalsContact OG-CA 3.29Å; S310-G313 WeakPolarHBondContact OG-CA 3.28Å; S310-G313 PolarHBondContact OG-N 2.87Å; S310-L314 WeakPolarHBondContact O-CB 3.41Å; S310-L314 PolarHBondContact O-N 2.86Å
311	P	98.1	Very high	95.6	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.122	C	C	.	.	H	α-helix	trans	-57.5	-40.9	170.7	-23.9	33.8	0	0	0	112.6	R315 F345 H352 V353 I356	P311-R315 VanDerWaalsContact O-CB 3.29Å; P311-R315 WeakPolarHBondContact O-CB 3.41Å; P311-R315 PolarHBondContact O-N 2.87Å; P311-F345 HydrophobicContact CG-CB 4.46Å; P311-F345 HydrophobicContact CG-CD1 3.52Å; P311-F345 HydrophobicContact CG-CD2 4.39Å; P311-F345 HydrophobicContact CG-CE1 3.76Å; P311-F345 HydrophobicContact CG-CG 3.88Å; P311-F345 HydrophobicContact CG-CZ 4.33Å; P311-H352 HydrophobicContact CB-CB 3.88Å; P311-V353 HydrophobicContact CB-CG2 3.95Å; P311-V353 HydrophobicContact CG-CG2 3.93Å; P311-I356 HydrophobicContact CB-CD1 4.28Å
312	L	97.1	Very high	95.2	Very high	45 Å²	45	26.6 Å²	26.6	24%	0.236	16%	0.155	C	C	.	.	H	α-helix	trans	-64.8	-55	174.9	172.3	63.2	0	0	0	111.8	C283 S310 L314 R315 M316	C283-L312 HydrophobicContact CB-CD2 4.1Å; S310-L312 VanDerWaalsContact C-N 3.28Å; S310-L312 PolarHBondContact O-N 3.44Å; L312-L314 VanDerWaalsContact C-N 3.27Å; L312-L314 PolarHBondContact O-N 2.59Å; L312-R315 PolarHBondContact O-N 2.83Å; L312-M316 HydrophobicContact CD1-CG 4.07Å; L312-M316 HydrophobicContact CD1-SD 3.77Å; L312-M316 HydrophobicContact CG-SD 4.05Å; L312-M316 WeakPolarHBondContact O-CB 3.44Å; L312-M316 WeakPolarHBondContact O-CG 3.34Å; L312-M316 PolarHBondContact O-N 3.26Å
313	G	97.1	Very high	94.9	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-31.2	-177	0	0	0	0	0	113.9	R285 S310 A317	R285-G313 WeakPolarHBondContact CD-O 3.49Å; R285-G313 PolarHBondContact NH1-O 3.1Å; S310-G313 PolarHBondContact O-N 3.46Å; S310-G313 VanDerWaalsContact OG-CA 3.29Å; S310-G313 WeakPolarHBondContact OG-CA 3.28Å; S310-G313 PolarHBondContact OG-N 2.87Å; G313-A317 PolarHBondContact O-N 3.48Å
314	L	97	Very high	94.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-79.4	-39.5	173.1	-170.7	59.3	0	0	0	112.8	L206 L208 F301 A309 S310 L312 M316 A317 L318 Y330 I356	L206-L314 HydrophobicContact CD1-CD2 3.69Å; L206-L314 HydrophobicContact CD2-CD2 3.96Å; L206-L314 HydrophobicContact CG-CD2 4.49Å; L208-L314 HydrophobicContact CD2-CD2 3.92Å; F301-L314 HydrophobicContact CE2-CD1 4.02Å; F301-L314 HydrophobicContact CZ-CD1 4.25Å; A309-L314 HydrophobicContact CB-CB 3.85Å; A309-L314 HydrophobicContact CB-CD2 4.5Å; S310-L314 WeakPolarHBondContact O-CB 3.41Å; S310-L314 PolarHBondContact O-N 2.86Å; L312-L314 VanDerWaalsContact C-N 3.27Å; L312-L314 PolarHBondContact O-N 2.59Å; L314-M316 PolarHBondContact O-N 2.86Å; L314-A317 HydrophobicContact CD1-CB 4.32Å; L314-A317 WeakPolarHBondContact O-CA 3.36Å; L314-A317 WeakPolarHBondContact O-CB 3.36Å; L314-A317 PolarHBondContact O-N 2.81Å; L314-L318 HydrophobicContact CG-CD1 4.11Å; L314-L318 HydrophobicContact CG-CG 4.35Å; L314-L318 WeakPolarHBondContact O-CG 3.33Å; L314-L318 PolarHBondContact O-N 3.45Å; L314-Y330 HydrophobicContact CD1-CE2 4.13Å; L314-I356 HydrophobicContact CB-CD1 3.99Å; L314-I356 HydrophobicContact CB-CG1 4.42Å; L314-I356 HydrophobicContact CD2-CD1 3.98Å; L314-I356 HydrophobicContact CD2-CG1 3.98Å; L314-I356 HydrophobicContact CD2-CG2 3.76Å; L314-I356 HydrophobicContact CG-CD1 4.22Å; L314-I356 HydrophobicContact CG-CG1 4.16Å
315	R	95.4	Very high	94.2	Very high	52 Å²	52	40.5 Å²	40.5	20%	0.196	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-35.5	170.4	170	58	-171.1	79.7	1.3	111.7	P311 L312 A317 G319 E323 H352 H355	P311-R315 VanDerWaalsContact O-CB 3.29Å; P311-R315 WeakPolarHBondContact O-CB 3.41Å; P311-R315 PolarHBondContact O-N 2.87Å; L312-R315 PolarHBondContact O-N 2.83Å; R315-A317 PolarHBondContact O-N 3.45Å; R315-G319 VanDerWaalsContact CZ-C 3.49Å; R315-G319 VanDerWaalsContact NH1-CA 3.33Å; R315-G319 PolarHBondContact NH1-O 3.11Å; R315-G319 PolarHBondContact O-N 2.82Å; R315-G319 VanDerWaalsContact O-N 3.13Å; R315-E323 IonicContact NH1-OE1 3.79Å; R315-E323 IonicContact NH1-OE2 3.26Å; R315-E323 IonicContact NH2-OE1 3.71Å; R315-E323 PolarHBondContact NH2-OE1 3.5Å; R315-E323 VanDerWaalsContact NH2-OE1 3.09Å; R315-H352 HydrophobicContact CB-CB 4.16Å; R315-H355 WeakPolarHBondContact CD-CD2 3.41Å
316	M	95.3	Very high	93.9	Very high	102 Å²	102	41 Å²	41	50%	0.502	21%	0.213	S	C	.	.	H	α-helix	trans	-77.2	2.1	172.2	-67.7	-179	69.1	0	0	114.3	R285 L312 L314	R285-M316 PolarHBondContact NH1-O 3.28Å; L312-M316 HydrophobicContact CD1-CG 4.07Å; L312-M316 HydrophobicContact CD1-SD 3.77Å; L312-M316 HydrophobicContact CG-SD 4.05Å; L312-M316 WeakPolarHBondContact O-CB 3.44Å; L312-M316 WeakPolarHBondContact O-CG 3.34Å; L312-M316 PolarHBondContact O-N 3.26Å; L314-M316 PolarHBondContact O-N 2.86Å
317	A	94.6	Very high	93.7	Very high	18 Å²	18	43 Å²	43	15%	0.149	22%	0.224	C	C	.	.	H	α-helix	trans	-106.5	-39.5	169.7	0	0	0	0	0	110.9	F301 G313 L314 R315	F301-A317 HydrophobicContact CE2-CB 3.9Å; G313-A317 PolarHBondContact O-N 3.48Å; L314-A317 HydrophobicContact CD1-CB 4.32Å; L314-A317 WeakPolarHBondContact O-CA 3.36Å; L314-A317 WeakPolarHBondContact O-CB 3.36Å; L314-A317 PolarHBondContact O-N 2.81Å; R315-A317 PolarHBondContact O-N 3.45Å
318	L	94.8	Very high	93.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-39	177.4	-68.7	166.5	0	0	0	112.5	L314 F326 D327 C328 Y330 L331 I356	L314-L318 HydrophobicContact CG-CD1 4.11Å; L314-L318 HydrophobicContact CG-CG 4.35Å; L314-L318 WeakPolarHBondContact O-CG 3.33Å; L314-L318 PolarHBondContact O-N 3.45Å; L318-F326 VanDerWaalsContact O-CA 3.31Å; L318-F326 WeakPolarHBondContact O-CA 3.41Å; L318-F326 WeakPolarHBondContact O-CD2 3.44Å; L318-D327 WeakPolarHBondContact CA-O 3.35Å; L318-D327 WeakPolarHBondContact CD2-O 3.45Å; L318-D327 PolarHBondContact O-N 3.09Å; L318-D327 VanDerWaalsContact O-N 3.09Å; L318-C328 HydrophobicContact CD2-CB 3.81Å; L318-Y330 HydrophobicContact CD2-CE2 4.11Å; L318-Y330 WeakPolarHBondContact CD2-OH 3.15Å; L318-Y330 PolarHBondContact N-OH 3.17Å; L318-L331 HydrophobicContact CD1-CD1 4.27Å; L318-L331 HydrophobicContact CD2-CD1 3.73Å; L318-L331 HydrophobicContact CD2-CG 4.29Å; L318-I356 HydrophobicContact CD1-CB 4.39Å; L318-I356 HydrophobicContact CD1-CG1 3.72Å
319	G	92.2	Very high	93.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.			trans	77.1	179.6	-167.4	0	0	0	0	0	113	R315 E323 H355	R315-G319 VanDerWaalsContact CZ-C 3.49Å; R315-G319 VanDerWaalsContact NH1-CA 3.33Å; R315-G319 PolarHBondContact NH1-O 3.11Å; R315-G319 PolarHBondContact O-N 2.82Å; R315-G319 VanDerWaalsContact O-N 3.13Å; G319-E323 WeakPolarHBondContact CA-OE2 3.48Å; G319-H355 PolarHBondContact O-NE2 3.21Å
320	A	89.3	Confident	93.1	Very high	13 Å²	13	43.7 Å²	43.7	11%	0.107	23%	0.228	C	C	.	.			trans	-91.9	154.1	163.9	0	0	0	0	0	110.3	S322 E323 F326	A320-S322 PolarHBondContact O-N 3.12Å; A320-E323 HydrophobicContact CB-CB 4.48Å; A320-E323 VanDerWaalsContact CB-CD 3.48Å; A320-E323 HydrophobicContact CB-CG 3.87Å; A320-E323 WeakPolarHBondContact CB-OE1 3.47Å; A320-E323 PolarHBondContact N-OE1 2.86Å; A320-E323 PolarHBondContact N-OE2 2.92Å; A320-E323 WeakPolarHBondContact O-CB 3.46Å; A320-E323 PolarHBondContact O-N 2.84Å; A320-F326 VanDerWaalsContact O-CB 3.25Å; A320-F326 WeakPolarHBondContact O-CB 3.14Å; A320-F326 WeakPolarHBondContact O-CD2 3.36Å; A320-F326 WeakPolarHBondContact O-CG 3.18Å
321	P	85.3	Confident	93.1	Very high	87 Å²	87	43.7 Å²	43.7	57%	0.565	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-16.4	173.4	-26.4	36.3	0	0	0	115.7	F326 H355	P321-F326 HydrophobicContact CB-CD1 4.44Å; P321-F326 HydrophobicContact CB-CE1 4.44Å; P321-F326 HydrophobicContact CG-CE1 4.4Å; P321-F326 HydrophobicContact CG-CE2 4.23Å; P321-F326 HydrophobicContact CG-CZ 4.16Å; P321-H355 VanDerWaalsContact CD-NE2 3.26Å; P321-H355 WeakPolarHBondContact CD-NE2 3.5Å
322	S	88.4	Confident	92.9	Very high	113 Å²	113	43.7 Å²	43.7	79%	0.79	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-7.1	174.4	51.7	0	0	0	0	114.8	A320	A320-S322 PolarHBondContact O-N 3.12Å
323	E	88.9	Confident	92.9	Very high	67 Å²	67	41.8 Å²	41.8	31%	0.313	22%	0.219	S	C	.	.	S	Bend	trans	-94.1	135.8	-177.5	-68.4	160	-152.3	0	0	110.2	R315 G319 A320 H325 F326	R315-E323 IonicContact NH1-OE1 3.79Å; R315-E323 IonicContact NH1-OE2 3.26Å; R315-E323 IonicContact NH2-OE1 3.71Å; R315-E323 PolarHBondContact NH2-OE1 3.5Å; R315-E323 VanDerWaalsContact NH2-OE1 3.09Å; G319-E323 WeakPolarHBondContact CA-OE2 3.48Å; A320-E323 HydrophobicContact CB-CB 4.48Å; A320-E323 VanDerWaalsContact CB-CD 3.48Å; A320-E323 HydrophobicContact CB-CG 3.87Å; A320-E323 WeakPolarHBondContact CB-OE1 3.47Å; A320-E323 PolarHBondContact N-OE1 2.86Å; A320-E323 PolarHBondContact N-OE2 2.92Å; A320-E323 WeakPolarHBondContact O-CB 3.46Å; A320-E323 PolarHBondContact O-N 2.84Å; E323-H325 PolarHBondContact O-N 3.37Å; E323-H325 IonicContact OE2-CE1 3.39Å; E323-H325 PolarHBondContact OE2-CE1 2.99Å; E323-H325 IonicContact OE2-NE2 2.69Å; E323-F326 VanDerWaalsContact O-CB 3.27Å; E323-F326 WeakPolarHBondContact O-CB 3Å; E323-F326 PolarHBondContact O-N 3.1Å
324	K	86.6	Confident	92.9	Very high	226 Å²	226	41.9 Å²	41.9	98%	0.983	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.5	-176.5	-68.4	-171.5	177.3	-176.5	0	115
325	H	89.6	Confident	92.9	Very high	113 Å²	113	42 Å²	42	52%	0.523	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	16.3	178.9	72.3	-86.3	0	0	0	112.8	E323 D327	E323-H325 PolarHBondContact O-N 3.37Å; E323-H325 IonicContact OE2-CE1 3.39Å; E323-H325 PolarHBondContact OE2-CE1 2.99Å; E323-H325 IonicContact OE2-NE2 2.69Å; H325-D327 PolarHBondContact O-N 2.89Å
326	F	90.5	Very high	93.1	Very high	21 Å²	21	39.6 Å²	39.6	9%	0.092	21%	0.21	C	C	.	.			trans	-67.1	102.4	-177.7	-176.9	-112.9	0	0	0	112.9	L318 A320 P321 E323 C328 H355 K365	L318-F326 VanDerWaalsContact O-CA 3.31Å; L318-F326 WeakPolarHBondContact O-CA 3.41Å; L318-F326 WeakPolarHBondContact O-CD2 3.44Å; A320-F326 VanDerWaalsContact O-CB 3.25Å; A320-F326 WeakPolarHBondContact O-CB 3.14Å; A320-F326 WeakPolarHBondContact O-CD2 3.36Å; A320-F326 WeakPolarHBondContact O-CG 3.18Å; P321-F326 HydrophobicContact CB-CD1 4.44Å; P321-F326 HydrophobicContact CB-CE1 4.44Å; P321-F326 HydrophobicContact CG-CE1 4.4Å; P321-F326 HydrophobicContact CG-CE2 4.23Å; P321-F326 HydrophobicContact CG-CZ 4.16Å; E323-F326 VanDerWaalsContact O-CB 3.27Å; E323-F326 WeakPolarHBondContact O-CB 3Å; E323-F326 PolarHBondContact O-N 3.1Å; F326-C328 HydrophobicContact CZ-CB 4.12Å; F326-H355 AromaticContact CE2-NE2 3.21Å; F326-H355 WeakPolarHBondContact CE2-NE2 3.16Å; F326-H355 AromaticContact CZ-NE2 3.94Å; F326-K365 PolarHBondContact O-NZ 2.67Å
327	D	93.4	Very high	93.2	Very high	45 Å²	45	34.9 Å²	34.9	24%	0.241	19%	0.187	C	C	.	.			trans	-126.9	119.9	178.8	179.7	16.1	0	0	0	110.3	Y302 L318 H325 D329 Y330	Y302-D327 WeakPolarHBondContact CE2-OD2 3.33Å; Y302-D327 PolarHBondContact OH-OD1 3.47Å; Y302-D327 PolarHBondContact OH-OD2 2.93Å; L318-D327 WeakPolarHBondContact CA-O 3.35Å; L318-D327 WeakPolarHBondContact CD2-O 3.45Å; L318-D327 PolarHBondContact O-N 3.09Å; L318-D327 VanDerWaalsContact O-N 3.09Å; H325-D327 PolarHBondContact O-N 2.89Å; D327-D329 PolarHBondContact OD1-N 3.02Å; D327-Y330 HydrophobicContact CB-CE1 4.34Å; D327-Y330 WeakPolarHBondContact O-CE1 3.15Å; D327-Y330 WeakPolarHBondContact OD2-CD1 3.32Å
328	C	93.8	Very high	93.4	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.027	18%	0.18	C	C	.	.			trans	-125.5	4.6	173.7	58.9	0	0	0	0	112.5	L318 F326 Y330 L331	L318-C328 HydrophobicContact CD2-CB 3.81Å; F326-C328 HydrophobicContact CZ-CB 4.12Å; C328-Y330 PolarHBondContact O-N 3.26Å; C328-L331 PolarHBondContact O-N 3.33Å
329	D	95.3	Very high	93.6	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-64.9	-33.2	-168.4	-66.4	-0.6	0	0	0	110.8	T201 Y302 D327 L331 S332 P364 K365 Q366 H368	T201-D329 WeakPolarHBondContact CG2-O 3.3Å; T201-D329 PolarHBondContact OG1-O 2.71Å; Y302-D329 HydrophobicContact CE1-CB 4.35Å; Y302-D329 WeakPolarHBondContact OH-CB 3.34Å; D327-D329 PolarHBondContact OD1-N 3.02Å; D329-L331 PolarHBondContact O-N 2.87Å; D329-L331 VanDerWaalsContact O-N 3.09Å; D329-S332 WeakPolarHBondContact O-CB 3.49Å; D329-S332 PolarHBondContact O-N 3.35Å; D329-S332 PolarHBondContact O-OG 2.82Å; D329-P364 HydrophobicContact CB-CB 3.69Å; D329-P364 VanDerWaalsContact CG-CA 3.48Å; D329-P364 WeakPolarHBondContact OD1-CA 3.08Å; D329-K365 PolarHBondContact OD1-N 2.73Å; D329-K365 VanDerWaalsContact OD1-N 3.1Å; D329-K365 PolarHBondContact OD2-N 3.02Å; D329-Q366 PolarHBondContact OD2-N 3Å; D329-H368 VanDerWaalsContact CB-NE2 3.3Å; D329-H368 WeakPolarHBondContact CB-NE2 3.41Å; D329-H368 IonicContact OD2-CD2 2.72Å; D329-H368 IonicContact OD2-CE1 2.67Å; D329-H368 IonicContact OD2-NE2 3.15Å; D329-H368 PolarHBondContact OD2-NE2 3.25Å
330	Y	95.2	Very high	93.8	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.02	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-64.3	-4	172.5	62.2	-100.9	0	0	0	115.3	P203 F301 Y302 I307 L314 L318 D327 C328	P203-Y330 WeakPolarHBondContact CB-O 3.25Å; P203-Y330 WeakPolarHBondContact CG-O 3.3Å; F301-Y330 HydrophobicContact CB-CD2 4.28Å; F301-Y330 HydrophobicContact CB-CG 4.12Å; F301-Y330 HydrophobicContact CD2-CD1 4.19Å; F301-Y330 AromaticContact CD2-CD2 3.7Å; F301-Y330 HydrophobicContact CD2-CD2 3.7Å; F301-Y330 AromaticContact CD2-CE1 3.97Å; F301-Y330 HydrophobicContact CD2-CE1 3.97Å; F301-Y330 AromaticContact CD2-CE2 3.47Å; F301-Y330 HydrophobicContact CD2-CE2 3.47Å; F301-Y330 VanDerWaalsContact CD2-CE2 3.47Å; F301-Y330 HydrophobicContact CD2-CG 4.06Å; F301-Y330 AromaticContact CD2-CZ 3.6Å; F301-Y330 HydrophobicContact CE2-CD2 4.36Å; F301-Y330 AromaticContact CE2-CE2 3.73Å; F301-Y330 HydrophobicContact CE2-CE2 3.73Å; F301-Y330 AromaticContact CE2-CZ 3.83Å; F301-Y330 HydrophobicContact CG-CD2 4.34Å; F301-Y330 HydrophobicContact CG-CE2 4.49Å; Y302-Y330 AromaticContact CE2-CD1 3.96Å; Y302-Y330 HydrophobicContact CE2-CD1 3.96Å; Y302-Y330 AromaticContact CZ-CD1 3.88Å; I307-Y330 HydrophobicContact CD1-CD2 3.8Å; I307-Y330 HydrophobicContact CD1-CE2 4.3Å; L314-Y330 HydrophobicContact CD1-CE2 4.13Å; L318-Y330 HydrophobicContact CD2-CE2 4.11Å; L318-Y330 WeakPolarHBondContact CD2-OH 3.15Å; L318-Y330 PolarHBondContact N-OH 3.17Å; D327-Y330 HydrophobicContact CB-CE1 4.34Å; D327-Y330 WeakPolarHBondContact O-CE1 3.15Å; D327-Y330 WeakPolarHBondContact OD2-CD1 3.32Å; C328-Y330 PolarHBondContact O-N 3.26Å
331	L	96.7	Very high	94.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-105.7	3.5	170.2	-60.3	-171	0	0	0	113.7	L206 I307 L318 C328 D329 S333 I334 I356 M360 H361	L206-L331 HydrophobicContact CD2-CD2 4.18Å; I307-L331 HydrophobicContact CD1-CD2 4.29Å; L318-L331 HydrophobicContact CD1-CD1 4.27Å; L318-L331 HydrophobicContact CD2-CD1 3.73Å; L318-L331 HydrophobicContact CD2-CG 4.29Å; C328-L331 PolarHBondContact O-N 3.33Å; D329-L331 PolarHBondContact O-N 2.87Å; D329-L331 VanDerWaalsContact O-N 3.09Å; L331-S333 PolarHBondContact O-N 3.04Å; L331-I334 HydrophobicContact CB-CG1 4.44Å; L331-I334 HydrophobicContact CD2-CD1 4.12Å; L331-I334 HydrophobicContact CD2-CG1 4.18Å; L331-I356 HydrophobicContact CD1-CG2 4.37Å; L331-M360 HydrophobicContact CB-CG 4.17Å; L331-M360 HydrophobicContact CD1-CG 4.18Å; L331-H361 PolarHBondContact O-N 3.03Å
332	S	95.5	Very high	94.7	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.014	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-29	177.6	55	0	0	0	0	113.8	T201 D329 R362	T201-S332 WeakPolarHBondContact CG2-OG 3.16Å; T201-S332 PolarHBondContact OG1-OG 2.91Å; D329-S332 WeakPolarHBondContact O-CB 3.49Å; D329-S332 PolarHBondContact O-N 3.35Å; D329-S332 PolarHBondContact O-OG 2.82Å; S332-R362 WeakPolarHBondContact CB-O 3.44Å
333	S	95.7	Very high	95.1	Very high	5 Å²	5	25.2 Å²	25.2	4%	0.035	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	24	-166.3	-61	0	0	0	0	115.1	L200 T201 P203 L331 E335	L200-S333 WeakPolarHBondContact CA-OG 3.4Å; L200-S333 PolarHBondContact N-OG 3Å; T201-S333 PolarHBondContact N-OG 3.4Å; T201-S333 WeakPolarHBondContact O-CB 3.5Å; P203-S333 CarbonylContact O-C 3.57Å; P203-S333 VanDerWaalsContact O-O 3.1Å; L331-S333 PolarHBondContact O-N 3.04Å; S333-E335 PolarHBondContact O-N 3.22Å; S333-E335 VanDerWaalsContact O-N 3.12Å
334	I	97.4	Very high	95.5	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	10%	0.103	C	C	.	.			trans	-64.6	113.7	174.7	-56.9	-55.2	0	0	0	109.8	P203 R204 L206 L331 V336 M360 H361 C388	P203-I334 HydrophobicContact CB-CD1 4.1Å; R204-I334 CarbonylContact O-C 3.55Å; L206-I334 HydrophobicContact CB-CD1 3.95Å; L206-I334 HydrophobicContact CB-CG1 4.24Å; L206-I334 HydrophobicContact CB-CG2 4.1Å; L331-I334 HydrophobicContact CB-CG1 4.44Å; L331-I334 HydrophobicContact CD2-CD1 4.12Å; L331-I334 HydrophobicContact CD2-CG1 4.18Å; I334-V336 WeakPolarHBondContact CG2-O 3.34Å; I334-M360 HydrophobicContact CB-CE 4.14Å; I334-M360 HydrophobicContact CG2-CE 4Å; I334-H361 PolarHBondContact O-NE2 2.94Å; I334-C388 PolarHBondContact O-SG 3.36Å; I334-C388 VanDerWaalsContact O-SG 3.39Å
335	E	97.4	Very high	96	Very high	4 Å²	4	11.4 Å²	11.4	2%	0.019	6%	0.056	C	C	.	.	S	Bend	trans	-89.9	-23.4	174.4	-72.6	170.7	-157.2	0	0	111.5	F48 H168 R204 S333 R376 W378 C388 Q389	F48-E335 HydrophobicContact CD1-CG 4.38Å; F48-E335 HydrophobicContact CE1-CB 3.8Å; F48-E335 HydrophobicContact CE1-CG 3.84Å; F48-E335 HydrophobicContact CZ-CB 3.95Å; F48-E335 HydrophobicContact CZ-CG 4.41Å; H168-E335 IonicContact CE1-OE2 3.76Å; H168-E335 PolarHBondContact CE1-OE2 3.43Å; H168-E335 IonicContact NE2-OE2 3.91Å; H168-E335 PolarHBondContact NE2-OE2 3.33Å; R204-E335 HydrophobicContact CB-CB 4.28Å; R204-E335 HydrophobicContact CG-CG 4.33Å; R204-E335 IonicContact CZ-OE1 2.7Å; R204-E335 IonicContact CZ-OE2 3.83Å; R204-E335 IonicContact NE-OE1 3.29Å; R204-E335 PolarHBondContact NE-OE1 2.58Å; R204-E335 IonicContact NH1-OE1 3.79Å; R204-E335 PolarHBondContact NH1-OE1 3.03Å; R204-E335 IonicContact NH1-OE2 3.9Å; R204-E335 PolarHBondContact NH1-OE2 2.92Å; R204-E335 IonicContact NH2-OE1 2.69Å; R204-E335 PolarHBondContact O-N 3.34Å; S333-E335 PolarHBondContact O-N 3.22Å; S333-E335 VanDerWaalsContact O-N 3.12Å; E335-R376 IonicContact OE1-CZ 2.96Å; E335-R376 IonicContact OE1-NH1 2.73Å; E335-R376 PolarHBondContact OE1-NH1 2.98Å; E335-R376 IonicContact OE1-NH2 2.71Å; E335-R376 IonicContact OE2-NH1 3.39Å; E335-W378 HydrophobicContact CG-CH2 4.17Å; E335-C388 WeakPolarHBondContact O-CA 3.43Å; E335-Q389 PolarHBondContact O-N 3.5Å
336	V	98.2	Very high	96.2	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	117.3	175.2	-169.6	0	0	0	0	111.4	Y141 R204 I205 L206 I334 I338 Q389 I391	Y141-V336 HydrophobicContact CE1-CG2 4.16Å; R204-V336 PolarHBondContact O-N 3.29Å; I205-V336 VanDerWaalsContact CA-O 3.3Å; I205-V336 WeakPolarHBondContact CA-O 3.48Å; I205-V336 HydrophobicContact CG1-CB 4.27Å; I205-V336 HydrophobicContact CG2-CB 4.37Å; L206-V336 PolarHBondContact N-O 3.24Å; I334-V336 WeakPolarHBondContact CG2-O 3.34Å; V336-I338 HydrophobicContact CG1-CD1 4.21Å; V336-I338 HydrophobicContact CG1-CG1 3.82Å; V336-Q389 CarbonylContact C-O 3.57Å; V336-Q389 WeakPolarHBondContact CA-O 3.42Å; V336-Q389 HydrophobicContact CG1-CB 4.38Å; V336-Q389 HydrophobicContact CG2-CB 4.47Å; V336-I391 HydrophobicContact CG1-CD1 4.19Å
337	L	98.4	Very high	96.5	Very high	4 Å²	4	6.4 Å²	6.4	2%	0.021	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.9	165.5	174	62.3	0	0	0	109.6	L206 M339 I357 M360 Q389 T390 I391	L206-L337 HydrophobicContact CB-CD1 4.24Å; L206-L337 HydrophobicContact CD2-CD1 4Å; L206-L337 HydrophobicContact CG-CD1 4.02Å; L337-M339 HydrophobicContact CD1-CG 4.37Å; L337-M339 HydrophobicContact CD2-SD 4.47Å; L337-M339 HydrophobicContact CG-CG 4.49Å; L337-I357 HydrophobicContact CD2-CG1 4.37Å; L337-M360 HydrophobicContact CB-CE 4.07Å; L337-M360 HydrophobicContact CD1-SD 4.18Å; L337-M360 HydrophobicContact CD2-CE 4.06Å; L337-M360 HydrophobicContact CD2-SD 4.05Å; L337-M360 HydrophobicContact CG-CE 4.48Å; L337-Q389 PolarHBondContact N-O 3.19Å; L337-T390 HydrophobicContact CD2-CG2 4.21Å; L337-I391 PolarHBondContact O-N 3.22Å
338	I	98.5	Very high	96.5	Very high	1 Å²	1	5.2 Å²	5.2	1%	0.005	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.3	172.5	-49.5	-177.8	0	0	0	108.8	I161 I205 L206 L207 L208 V336 I391 F393	I161-I338 HydrophobicContact CD1-CG2 4.4Å; I161-I338 HydrophobicContact CG1-CG2 4.26Å; I161-I338 HydrophobicContact CG2-CD1 4.07Å; I161-I338 HydrophobicContact CG2-CG2 4.44Å; I205-I338 HydrophobicContact CG2-CD1 4.44Å; L206-I338 PolarHBondContact O-N 2.96Å; L207-I338 CarbonylContact C-O 3.55Å; L207-I338 WeakPolarHBondContact CA-O 3.26Å; L207-I338 HydrophobicContact CB-CB 4.5Å; L207-I338 HydrophobicContact CD1-CB 3.7Å; L207-I338 HydrophobicContact CD1-CG2 3.58Å; L208-I338 PolarHBondContact N-O 2.66Å; V336-I338 HydrophobicContact CG1-CD1 4.21Å; V336-I338 HydrophobicContact CG1-CG1 3.82Å; I338-I391 CarbonylContact C-O 3.53Å; I338-I391 WeakPolarHBondContact CA-O 3.03Å; I338-I391 HydrophobicContact CG1-CB 4.42Å; I338-I391 HydrophobicContact CG1-CD1 4.34Å; I338-I391 HydrophobicContact CG2-CB 4.47Å; I338-F393 HydrophobicContact CG2-CD2 4.39Å; I338-F393 HydrophobicContact CG2-CE2 4.23Å
339	M	98.4	Very high	96.5	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	106.9	173.2	-72.5	173.1	61.2	0	0	108.2	L208 L337 A342 F345 W350 V353 I357 I391 I392 F393	L208-M339 HydrophobicContact CB-CG 4.27Å; L208-M339 HydrophobicContact CD1-CG 4.19Å; L337-M339 HydrophobicContact CD1-CG 4.37Å; L337-M339 HydrophobicContact CD2-SD 4.47Å; L337-M339 HydrophobicContact CG-CG 4.49Å; M339-A342 HydrophobicContact CB-CB 4.44Å; M339-A342 HydrophobicContact CE-CB 4.22Å; M339-F345 HydrophobicContact CB-CE2 4.07Å; M339-F345 HydrophobicContact CE-CD2 3.83Å; M339-F345 HydrophobicContact CE-CE2 3.81Å; M339-F345 HydrophobicContact CG-CE2 4.25Å; M339-W350 HydrophobicContact CE-CH2 3.97Å; M339-W350 HydrophobicContact CE-CZ3 4.22Å; M339-V353 HydrophobicContact CE-CG1 3.54Å; M339-V353 HydrophobicContact SD-CG1 4.31Å; M339-I357 HydrophobicContact SD-CD1 4.29Å; M339-I391 PolarHBondContact N-O 3.46Å; M339-I392 HydrophobicContact CB-CB 4.49Å; M339-I392 HydrophobicContact CB-CG1 4.2Å; M339-I392 HydrophobicContact CB-CG2 4.29Å; M339-I392 HydrophobicContact CE-CD1 4.42Å; M339-I392 WeakPolarHBondContact O-CA 3.48Å; M339-I392 HydrophobicContact SD-CD1 3.95Å; M339-I392 HydrophobicContact SD-CG1 4.19Å; M339-F393 PolarHBondContact O-N 3.38Å
340	D	97.8	Very high	96.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-103.4	140.1	177.6	-163.7	14.6	0	0	0	111.5	R149 H158 I161 L207 L208 V209 P210 A342 F345 F393	R149-D340 IonicContact CZ-OD1 2.89Å; R149-D340 VanDerWaalsContact CZ-OD1 3.26Å; R149-D340 IonicContact CZ-OD2 4Å; R149-D340 IonicContact NE-OD1 2.66Å; R149-D340 IonicContact NH1-OD1 2.75Å; R149-D340 PolarHBondContact NH1-OD1 2.82Å; R149-D340 IonicContact NH1-OD2 3.78Å; R149-D340 PolarHBondContact NH1-OD2 2.88Å; R149-D340 IonicContact NH2-OD2 3.46Å; H158-D340 IonicContact CD2-OD2 3.94Å; H158-D340 IonicContact NE2-OD2 2.81Å; I161-D340 HydrophobicContact CD1-CB 4.03Å; I161-D340 WeakPolarHBondContact CD1-OD2 3.19Å; L207-D340 HydrophobicContact CD1-CB 4.48Å; L208-D340 PolarHBondContact O-N 3.35Å; V209-D340 HydrophobicContact CG1-CB 4Å; P210-D340 WeakPolarHBondContact CD-O 3.28Å; D340-A342 VanDerWaalsContact C-N 3.35Å; D340-F345 WeakPolarHBondContact O-CZ 3.32Å; D340-F393 WeakPolarHBondContact OD1-CB 3.34Å
341	Q	96.6	Very high	96.4	Very high	15 Å²	15	16 Å²	16	7%	0.07	8%	0.075	C	C	.	.	S	Bend	trans	55.6	46.2	-172.7	-51	177.4	-77.6	0	0	112.2	P210 S214 D343 V344 F393	P210-Q341 HydrophobicContact CG-CB 3.91Å; S214-Q341 PolarHBondContact OG-OE1 3.27Å; Q341-D343 PolarHBondContact O-N 3.33Å; Q341-V344 HydrophobicContact CB-CG2 3.95Å; Q341-V344 VanDerWaalsContact O-CB 3.3Å; Q341-V344 WeakPolarHBondContact O-CB 3.41Å; Q341-V344 PolarHBondContact O-N 3.12Å; Q341-F393 PolarHBondContact N-O 3.35Å; Q341-F393 VanDerWaalsContact N-O 3.08Å
342	A	97.1	Very high	96.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.4	-26.6	-171.4	0	0	0	0	0	114.3	M339 D340 V344 F345 I392 F393 I401	M339-A342 HydrophobicContact CB-CB 4.44Å; M339-A342 HydrophobicContact CE-CB 4.22Å; D340-A342 VanDerWaalsContact C-N 3.35Å; A342-V344 PolarHBondContact O-N 3.28Å; A342-F345 HydrophobicContact CB-CD2 4.16Å; A342-F345 HydrophobicContact CB-CE2 4.18Å; A342-F345 WeakPolarHBondContact O-CB 3.19Å; A342-F345 PolarHBondContact O-N 3.48Å; A342-F345 VanDerWaalsContact O-N 3.14Å; A342-I392 HydrophobicContact CB-CG2 3.62Å; A342-F393 PolarHBondContact N-O 2.82Å; A342-I401 HydrophobicContact CB-CD1 4.42Å; A342-I401 HydrophobicContact CB-CG2 4.49Å
343	D	95.6	Very high	96.4	Very high	11 Å²	11	17.7 Å²	17.7	6%	0.059	8%	0.083	C	C	.	.	H	α-helix	trans	-57.6	-32.1	169.8	49.6	-62	0	0	0	113.6	Q341 F345 L346 S394 S395 I396 I401 Y555	Q341-D343 PolarHBondContact O-N 3.33Å; D343-F345 VanDerWaalsContact C-N 3.3Å; D343-F345 PolarHBondContact O-N 2.95Å; D343-L346 WeakPolarHBondContact O-CB 3.27Å; D343-L346 PolarHBondContact O-N 3.48Å; D343-S394 WeakPolarHBondContact CB-OG 3.41Å; D343-S394 WeakPolarHBondContact OD1-CA 3.49Å; D343-S394 PolarHBondContact OD1-OG 3Å; D343-S395 PolarHBondContact OD1-N 3.31Å; D343-S395 WeakPolarHBondContact OD2-CB 3.46Å; D343-S395 PolarHBondContact OD2-OG 2.88Å; D343-I396 HydrophobicContact CB-CD1 4.19Å; D343-I396 HydrophobicContact CB-CG1 3.69Å; D343-I401 HydrophobicContact CB-CD1 4.42Å; D343-Y555 VanDerWaalsContact C-OH 3.23Å; D343-Y555 HydrophobicContact CB-CE1 4.29Å; D343-Y555 WeakPolarHBondContact CB-OH 3.49Å; D343-Y555 PolarHBondContact O-OH 2.93Å; D343-Y555 VanDerWaalsContact O-OH 3.11Å; D343-Y555 PolarHBondContact OD2-OH 3.13Å
344	V	97.3	Very high	96.4	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-70.7	-27.8	177.1	-176.7	0	0	0	0	111.3	P210 F211 L275 Q341 A342 L346 M347 Q348 F535	P210-V344 HydrophobicContact CB-CB 3.81Å; P210-V344 HydrophobicContact CB-CG1 3.39Å; P210-V344 HydrophobicContact CG-CB 3.96Å; P210-V344 HydrophobicContact CG-CG1 3.89Å; P210-V344 HydrophobicContact CG-CG2 4.28Å; F211-V344 HydrophobicContact CE2-CG1 3.97Å; F211-V344 HydrophobicContact CZ-CG1 3.87Å; L275-V344 HydrophobicContact CD1-CG2 3.88Å; Q341-V344 HydrophobicContact CB-CG2 3.95Å; Q341-V344 VanDerWaalsContact O-CB 3.3Å; Q341-V344 WeakPolarHBondContact O-CB 3.41Å; Q341-V344 PolarHBondContact O-N 3.12Å; A342-V344 PolarHBondContact O-N 3.28Å; V344-L346 VanDerWaalsContact C-N 3.26Å; V344-L346 PolarHBondContact O-N 3.47Å; V344-M347 CarbonylContact O-C 3.12Å; V344-M347 WeakPolarHBondContact O-CA 3.09Å; V344-M347 PolarHBondContact O-N 3.27Å; V344-Q348 PolarHBondContact O-N 3.07Å; V344-Q348 VanDerWaalsContact O-N 3.11Å; V344-F535 HydrophobicContact CB-CZ 4.47Å; V344-F535 HydrophobicContact CG1-CE1 4.33Å; V344-F535 HydrophobicContact CG1-CZ 3.97Å; V344-F535 HydrophobicContact CG2-CZ 4.32Å
345	F	97.4	Very high	96.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67	-26.1	178.1	-53	-29	0	0	0	113	L208 P210 P311 M339 D340 A342 D343 M347 Q348 N349 W350 V353	L208-F345 HydrophobicContact CB-CE2 4.15Å; L208-F345 HydrophobicContact CB-CZ 3.85Å; P210-F345 HydrophobicContact CB-CD1 4.24Å; P210-F345 HydrophobicContact CB-CE1 4.03Å; P311-F345 HydrophobicContact CG-CB 4.46Å; P311-F345 HydrophobicContact CG-CD1 3.52Å; P311-F345 HydrophobicContact CG-CD2 4.39Å; P311-F345 HydrophobicContact CG-CE1 3.76Å; P311-F345 HydrophobicContact CG-CG 3.88Å; P311-F345 HydrophobicContact CG-CZ 4.33Å; M339-F345 HydrophobicContact CB-CE2 4.07Å; M339-F345 HydrophobicContact CE-CD2 3.83Å; M339-F345 HydrophobicContact CE-CE2 3.81Å; M339-F345 HydrophobicContact CG-CE2 4.25Å; D340-F345 WeakPolarHBondContact O-CZ 3.32Å; A342-F345 HydrophobicContact CB-CD2 4.16Å; A342-F345 HydrophobicContact CB-CE2 4.18Å; A342-F345 WeakPolarHBondContact O-CB 3.19Å; A342-F345 PolarHBondContact O-N 3.48Å; A342-F345 VanDerWaalsContact O-N 3.14Å; D343-F345 VanDerWaalsContact C-N 3.3Å; D343-F345 PolarHBondContact O-N 2.95Å; F345-M347 VanDerWaalsContact C-N 3.27Å; F345-Q348 CarbonylContact O-C 3.52Å; F345-Q348 PolarHBondContact O-N 3.46Å; F345-N349 PolarHBondContact O-N 2.8Å; F345-W350 HydrophobicContact CB-CE3 3.83Å; F345-W350 HydrophobicContact CB-CZ3 3.9Å; F345-W350 HydrophobicContact CD2-CZ3 4.15Å; F345-W350 PolarHBondContact O-N 3.27Å; F345-V353 HydrophobicContact CB-CG2 3.79Å; F345-V353 HydrophobicContact CD2-CG2 3.8Å; F345-V353 HydrophobicContact CG-CG2 3.97Å
346	L	94.9	Very high	96.3	Very high	21 Å²	21	21.5 Å²	21.5	11%	0.11	10%	0.101	C	C	.	.	H	α-helix	trans	-63.6	-37.7	172.1	-56.9	174.2	0	0	0	110.9	D343 V344 Q348 W350 T398 E400 I401 T554	D343-L346 WeakPolarHBondContact O-CB 3.27Å; D343-L346 PolarHBondContact O-N 3.48Å; V344-L346 VanDerWaalsContact C-N 3.26Å; V344-L346 PolarHBondContact O-N 3.47Å; L346-Q348 VanDerWaalsContact C-N 3.29Å; L346-W350 HydrophobicContact CD2-CB 4.37Å; L346-W350 HydrophobicContact CD2-CD2 3.69Å; L346-W350 HydrophobicContact CD2-CE3 3.59Å; L346-W350 HydrophobicContact CD2-CG 4.04Å; L346-W350 HydrophobicContact CD2-CZ3 4.09Å; L346-W350 HydrophobicContact CG-CE3 4.33Å; L346-T398 HydrophobicContact CD1-CG2 3.7Å; L346-E400 HydrophobicContact CD2-CB 3.94Å; L346-E400 HydrophobicContact CD2-CG 4.39Å; L346-I401 HydrophobicContact CD1-CD1 3.99Å; L346-I401 HydrophobicContact CD1-CG1 4.24Å; L346-I401 HydrophobicContact CD2-CG1 4.41Å; L346-I401 HydrophobicContact CG-CD1 4.49Å; L346-T554 HydrophobicContact CD1-CG2 4.16Å
347	M	95.1	Very high	96.1	Very high	9 Å²	9	22.2 Å²	22.2	4%	0.044	11%	0.105	C	C	.	.	H	α-helix	trans	-82.3	-6.1	177.1	-58	-59.9	152.4	0	0	113.2	V344 F345 E531 R532 F535 Y536 T554 Y555	V344-M347 CarbonylContact O-C 3.12Å; V344-M347 WeakPolarHBondContact O-CA 3.09Å; V344-M347 PolarHBondContact O-N 3.27Å; F345-M347 VanDerWaalsContact C-N 3.27Å; M347-E531 HydrophobicContact CE-CG 3.76Å; M347-E531 HydrophobicContact SD-CG 3.94Å; M347-R532 VanDerWaalsContact O-CD 3.3Å; M347-R532 WeakPolarHBondContact O-CD 3.16Å; M347-R532 HydrophobicContact SD-CG 4.01Å; M347-F535 HydrophobicContact CB-CD1 3.64Å; M347-F535 HydrophobicContact CB-CD2 4.13Å; M347-F535 HydrophobicContact CB-CE1 3.56Å; M347-F535 HydrophobicContact CB-CE2 4.1Å; M347-F535 HydrophobicContact CB-CG 3.93Å; M347-F535 HydrophobicContact CB-CZ 3.81Å; M347-F535 HydrophobicContact CG-CB 4.44Å; M347-F535 HydrophobicContact CG-CD1 4.03Å; M347-F535 HydrophobicContact CG-CD2 3.59Å; M347-F535 HydrophobicContact CG-CE1 4.1Å; M347-F535 HydrophobicContact CG-CE2 3.7Å; M347-F535 HydrophobicContact CG-CG 3.77Å; M347-F535 HydrophobicContact CG-CZ 3.94Å; M347-F535 HydrophobicContact SD-CB 4.39Å; M347-F535 HydrophobicContact SD-CD2 4.37Å; M347-F535 HydrophobicContact SD-CG 4.35Å; M347-Y536 VanDerWaalsContact O-CE2 3.26Å; M347-Y536 WeakPolarHBondContact O-CE2 3.46Å; M347-Y536 PolarHBondContact O-OH 2.66Å; M347-T554 HydrophobicContact CE-CG2 4.05Å; M347-Y555 HydrophobicContact CE-CD2 4.12Å; M347-Y555 HydrophobicContact CE-CE2 3.77Å; M347-Y555 HydrophobicContact CG-CE2 3.89Å; M347-Y555 HydrophobicContact SD-CE2 4.47Å
348	Q	93.7	Very high	95.9	Very high	20 Å²	20	25.3 Å²	25.3	9%	0.093	12%	0.121	C	C	.	.	S	Bend	trans	-94.2	-116.2	162.6	-65.5	174.9	-19.1	0	0	108.6	P210 D282 V344 F345 L346 R532 Y536	P210-Q348 PolarHBondContact O-NE2 3.02Å; D282-Q348 VanDerWaalsContact CB-NE2 3.34Å; V344-Q348 PolarHBondContact O-N 3.07Å; V344-Q348 VanDerWaalsContact O-N 3.11Å; F345-Q348 CarbonylContact O-C 3.52Å; F345-Q348 PolarHBondContact O-N 3.46Å; L346-Q348 VanDerWaalsContact C-N 3.29Å; Q348-R532 PolarHBondContact O-NE 2.86Å; Q348-R532 PolarHBondContact O-NH2 3.32Å; Q348-Y536 WeakPolarHBondContact CG-OH 3.29Å
349	N	93.6	Very high	95.7	Very high	58 Å²	58	25.3 Å²	25.3	31%	0.31	12%	0.121	S	C	.	.			trans	-135.5	101.7	172.5	-177.5	10.5	0	0	0	110.9	F345 K351 H352	F345-N349 PolarHBondContact O-N 2.8Å; N349-K351 PolarHBondContact O-N 3.15Å; N349-K351 VanDerWaalsContact O-N 3.08Å; N349-K351 WeakPolarHBondContact OD1-CB 3.36Å; N349-K351 PolarHBondContact OD1-N 3.38Å; N349-H352 PolarHBondContact ND2-CD2 2.91Å; N349-H352 VanDerWaalsContact ND2-CD2 3.25Å; N349-H352 PolarHBondContact ND2-NE2 3.11Å; N349-H352 WeakPolarHBondContact O-CB 3.41Å; N349-H352 PolarHBondContact O-N 3.38Å
350	W	94.4	Very high	95.6	Very high	37 Å²	37	26 Å²	26	14%	0.14	12%	0.124	C	C	.	.	H	α-helix	trans	-56.1	-26.7	179.1	-167.3	-114.5	0	0	0	113.9	M339 F345 L346 H352 V353 I354 E400 I401 A404	M339-W350 HydrophobicContact CE-CH2 3.97Å; M339-W350 HydrophobicContact CE-CZ3 4.22Å; F345-W350 HydrophobicContact CB-CE3 3.83Å; F345-W350 HydrophobicContact CB-CZ3 3.9Å; F345-W350 HydrophobicContact CD2-CZ3 4.15Å; F345-W350 PolarHBondContact O-N 3.27Å; L346-W350 HydrophobicContact CD2-CB 4.37Å; L346-W350 HydrophobicContact CD2-CD2 3.69Å; L346-W350 HydrophobicContact CD2-CE3 3.59Å; L346-W350 HydrophobicContact CD2-CG 4.04Å; L346-W350 HydrophobicContact CD2-CZ3 4.09Å; L346-W350 HydrophobicContact CG-CE3 4.33Å; W350-H352 PolarHBondContact O-N 3.14Å; W350-V353 HydrophobicContact CD2-CB 4.34Å; W350-V353 HydrophobicContact CE3-CB 4.1Å; W350-V353 HydrophobicContact CE3-CG1 4.35Å; W350-V353 HydrophobicContact CE3-CG2 3.91Å; W350-V353 HydrophobicContact CH2-CG1 4.17Å; W350-V353 HydrophobicContact CZ2-CG1 4.48Å; W350-V353 HydrophobicContact CZ3-CB 4.34Å; W350-V353 HydrophobicContact CZ3-CG1 4.11Å; W350-V353 HydrophobicContact CZ3-CG2 4.14Å; W350-V353 WeakPolarHBondContact O-CB 3.5Å; W350-V353 PolarHBondContact O-N 2.89Å; W350-I354 PolarHBondContact O-N 2.97Å; W350-I354 VanDerWaalsContact O-N 3.13Å; W350-E400 HydrophobicContact CZ2-CB 4.44Å; W350-E400 WeakPolarHBondContact CZ2-O 3.27Å; W350-I401 HydrophobicContact CH2-CB 4.33Å; W350-I401 HydrophobicContact CH2-CG1 3.79Å; W350-I401 HydrophobicContact CZ2-CG1 4.34Å; W350-I401 HydrophobicContact CZ3-CG1 4.24Å; W350-A404 HydrophobicContact CH2-CB 4.43Å; W350-A404 HydrophobicContact CZ2-CB 3.68Å
351	K	94.3	Very high	95.4	Very high	145 Å²	145	27.8 Å²	27.8	63%	0.63	13%	0.133	S	C	*	.	H	α-helix	trans	-61.8	-25.6	174.9	-64.4	-170.9	175.3	-172.2	0	113	N349 H355	N349-K351 PolarHBondContact O-N 3.15Å; N349-K351 VanDerWaalsContact O-N 3.08Å; N349-K351 WeakPolarHBondContact OD1-CB 3.36Å; N349-K351 PolarHBondContact OD1-N 3.38Å; K351-H355 VanDerWaalsContact O-CB 3.32Å; K351-H355 WeakPolarHBondContact O-CB 3.46Å; K351-H355 PolarHBondContact O-N 3.2Å; K351-H355 VanDerWaalsContact O-N 3.09Å
352	H	96.3	Very high	95.3	Very high	37 Å²	37	31.6 Å²	31.6	17%	0.171	15%	0.147	C	C	.	.	H	α-helix	trans	-69.8	-41	173.7	-61.5	171.8	0	0	0	111.2	P311 R315 N349 W350 H355 I356	P311-H352 HydrophobicContact CB-CB 3.88Å; R315-H352 HydrophobicContact CB-CB 4.16Å; N349-H352 PolarHBondContact ND2-CD2 2.91Å; N349-H352 VanDerWaalsContact ND2-CD2 3.25Å; N349-H352 PolarHBondContact ND2-NE2 3.11Å; N349-H352 WeakPolarHBondContact O-CB 3.41Å; N349-H352 PolarHBondContact O-N 3.38Å; W350-H352 PolarHBondContact O-N 3.14Å; H352-H355 PolarHBondContact O-N 3.45Å; H352-I356 VanDerWaalsContact O-CD1 3.31Å; H352-I356 WeakPolarHBondContact O-CD1 3.32Å; H352-I356 VanDerWaalsContact O-CG1 3.22Å; H352-I356 WeakPolarHBondContact O-CG1 3.29Å; H352-I356 PolarHBondContact O-N 3.32Å
353	V	96.8	Very high	95	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-50.6	176.8	178.5	0	0	0	0	110.5	P311 M339 F345 W350 H355 I356 I357	P311-V353 HydrophobicContact CB-CG2 3.95Å; P311-V353 HydrophobicContact CG-CG2 3.93Å; M339-V353 HydrophobicContact CE-CG1 3.54Å; M339-V353 HydrophobicContact SD-CG1 4.31Å; F345-V353 HydrophobicContact CB-CG2 3.79Å; F345-V353 HydrophobicContact CD2-CG2 3.8Å; F345-V353 HydrophobicContact CG-CG2 3.97Å; W350-V353 HydrophobicContact CD2-CB 4.34Å; W350-V353 HydrophobicContact CE3-CB 4.1Å; W350-V353 HydrophobicContact CE3-CG1 4.35Å; W350-V353 HydrophobicContact CE3-CG2 3.91Å; W350-V353 HydrophobicContact CH2-CG1 4.17Å; W350-V353 HydrophobicContact CZ2-CG1 4.48Å; W350-V353 HydrophobicContact CZ3-CB 4.34Å; W350-V353 HydrophobicContact CZ3-CG1 4.11Å; W350-V353 HydrophobicContact CZ3-CG2 4.14Å; W350-V353 WeakPolarHBondContact O-CB 3.5Å; W350-V353 PolarHBondContact O-N 2.89Å; V353-H355 PolarHBondContact O-N 3.06Å; V353-I356 PolarHBondContact O-N 3.44Å; V353-I356 VanDerWaalsContact O-N 3.16Å; V353-I357 HydrophobicContact CG1-CD1 3.84Å; V353-I357 WeakPolarHBondContact O-CG1 3.09Å; V353-I357 PolarHBondContact O-N 3.3Å
354	I	95.4	Very high	94.8	Very high	51 Å²	51	36.5 Å²	36.5	26%	0.262	17%	0.171	S	C	.	.	H	α-helix	trans	-58.3	-46.8	177.4	-60.1	-59.3	0	0	0	111.1	W350 I356 I357 D358 A404	W350-I354 PolarHBondContact O-N 2.97Å; W350-I354 VanDerWaalsContact O-N 3.13Å; I354-I356 VanDerWaalsContact C-N 3.31Å; I354-I356 PolarHBondContact O-N 3.34Å; I354-I357 PolarHBondContact O-N 3.02Å; I354-D358 WeakPolarHBondContact CG2-OD2 3.22Å; I354-D358 WeakPolarHBondContact O-CB 3.21Å; I354-D358 PolarHBondContact O-N 3.46Å; I354-A404 HydrophobicContact CD1-CB 4.39Å
355	H	95.2	Very high	94.5	Very high	39 Å²	39	42.9 Å²	42.9	18%	0.181	20%	0.199	C	C	.	.	H	α-helix	trans	-60.2	-36.6	177	171	83.2	0	0	0	113.6	R315 G319 P321 F326 K351 H352 V353 S359	R315-H355 WeakPolarHBondContact CD-CD2 3.41Å; G319-H355 PolarHBondContact O-NE2 3.21Å; P321-H355 VanDerWaalsContact CD-NE2 3.26Å; P321-H355 WeakPolarHBondContact CD-NE2 3.5Å; F326-H355 AromaticContact CE2-NE2 3.21Å; F326-H355 WeakPolarHBondContact CE2-NE2 3.16Å; F326-H355 AromaticContact CZ-NE2 3.94Å; K351-H355 VanDerWaalsContact O-CB 3.32Å; K351-H355 WeakPolarHBondContact O-CB 3.46Å; K351-H355 PolarHBondContact O-N 3.2Å; K351-H355 VanDerWaalsContact O-N 3.09Å; H352-H355 PolarHBondContact O-N 3.45Å; V353-H355 PolarHBondContact O-N 3.06Å; H355-S359 VanDerWaalsContact O-CB 3.28Å; H355-S359 WeakPolarHBondContact O-CB 3.4Å; H355-S359 PolarHBondContact O-N 3.14Å; H355-S359 PolarHBondContact O-OG 2.82Å
356	I	96.7	Very high	94.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-48.9	175.6	-70.5	157.1	0	0	0	110.2	L206 L208 P311 L314 L318 L331 H352 V353 I354 S359 M360	L206-I356 HydrophobicContact CD2-CG2 3.74Å; L208-I356 HydrophobicContact CD1-CD1 4.3Å; L208-I356 HydrophobicContact CD1-CG2 4.27Å; L208-I356 HydrophobicContact CD2-CD1 4.29Å; P311-I356 HydrophobicContact CB-CD1 4.28Å; L314-I356 HydrophobicContact CB-CD1 3.99Å; L314-I356 HydrophobicContact CB-CG1 4.42Å; L314-I356 HydrophobicContact CD2-CD1 3.98Å; L314-I356 HydrophobicContact CD2-CG1 3.98Å; L314-I356 HydrophobicContact CD2-CG2 3.76Å; L314-I356 HydrophobicContact CG-CD1 4.22Å; L314-I356 HydrophobicContact CG-CG1 4.16Å; L318-I356 HydrophobicContact CD1-CB 4.39Å; L318-I356 HydrophobicContact CD1-CG1 3.72Å; L331-I356 HydrophobicContact CD1-CG2 4.37Å; H352-I356 VanDerWaalsContact O-CD1 3.31Å; H352-I356 WeakPolarHBondContact O-CD1 3.32Å; H352-I356 VanDerWaalsContact O-CG1 3.22Å; H352-I356 WeakPolarHBondContact O-CG1 3.29Å; H352-I356 PolarHBondContact O-N 3.32Å; V353-I356 PolarHBondContact O-N 3.44Å; V353-I356 VanDerWaalsContact O-N 3.16Å; I354-I356 VanDerWaalsContact C-N 3.31Å; I354-I356 PolarHBondContact O-N 3.34Å; I356-S359 WeakPolarHBondContact O-CA 3.41Å; I356-S359 WeakPolarHBondContact O-CB 3.39Å; I356-S359 PolarHBondContact O-N 3.29Å; I356-M360 PolarHBondContact O-N 3.4Å
357	I	95.6	Very high	93.6	Very high	16 Å²	16	52.8 Å²	52.8	8%	0.082	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-45.1	-179	-62.5	169.1	0	0	0	110.6	L337 M339 V353 I354 S359 M360 H408	L337-I357 HydrophobicContact CD2-CG1 4.37Å; M339-I357 HydrophobicContact SD-CD1 4.29Å; V353-I357 HydrophobicContact CG1-CD1 3.84Å; V353-I357 WeakPolarHBondContact O-CG1 3.09Å; V353-I357 PolarHBondContact O-N 3.3Å; I354-I357 PolarHBondContact O-N 3.02Å; I357-S359 PolarHBondContact O-N 3.28Å; I357-S359 VanDerWaalsContact O-N 3.12Å; I357-M360 PolarHBondContact O-N 3.38Å; I357-M360 VanDerWaalsContact O-N 3.15Å; I357-H408 HydrophobicContact CG2-CB 3.8Å; I357-H408 VanDerWaalsContact CG2-CG 3.48Å; I357-H408 VanDerWaalsContact CG2-ND1 3.32Å; I357-H408 WeakPolarHBondContact CG2-ND1 3.45Å
358	D	93.7	Very high	93.3	Very high	69 Å²	69	55.4 Å²	55.4	37%	0.369	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.9	174.5	-73	-24.4	0	0	0	113.2	I354 R362 H408	I354-D358 WeakPolarHBondContact CG2-OD2 3.22Å; I354-D358 WeakPolarHBondContact O-CB 3.21Å; I354-D358 PolarHBondContact O-N 3.46Å; D358-R362 PolarHBondContact O-NE 3.08Å; D358-R362 PolarHBondContact O-NH2 2.83Å; D358-H408 IonicContact OD1-CE1 3.63Å; D358-H408 PolarHBondContact OD1-CE1 2.82Å
359	S	94.4	Very high	93	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-10.9	177.6	-59.5	0	0	0	0	114.1	H355 I356 I357	H355-S359 VanDerWaalsContact O-CB 3.28Å; H355-S359 WeakPolarHBondContact O-CB 3.4Å; H355-S359 PolarHBondContact O-N 3.14Å; H355-S359 PolarHBondContact O-OG 2.82Å; I356-S359 WeakPolarHBondContact O-CA 3.41Å; I356-S359 WeakPolarHBondContact O-CB 3.39Å; I356-S359 PolarHBondContact O-N 3.29Å; I357-S359 PolarHBondContact O-N 3.28Å; I357-S359 VanDerWaalsContact O-N 3.12Å
360	M	95.3	Very high	92.7	Very high	16 Å²	16	57.1 Å²	57.1	8%	0.079	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	156.8	173.9	-73.1	169.4	45.1	0	0	111.9	L206 L331 I334 L337 I356 I357 R362	L206-M360 HydrophobicContact CD2-SD 4.1Å; L331-M360 HydrophobicContact CB-CG 4.17Å; L331-M360 HydrophobicContact CD1-CG 4.18Å; I334-M360 HydrophobicContact CB-CE 4.14Å; I334-M360 HydrophobicContact CG2-CE 4Å; L337-M360 HydrophobicContact CB-CE 4.07Å; L337-M360 HydrophobicContact CD1-SD 4.18Å; L337-M360 HydrophobicContact CD2-CE 4.06Å; L337-M360 HydrophobicContact CD2-SD 4.05Å; L337-M360 HydrophobicContact CG-CE 4.48Å; I356-M360 PolarHBondContact O-N 3.4Å; I357-M360 PolarHBondContact O-N 3.38Å; I357-M360 VanDerWaalsContact O-N 3.15Å; M360-R362 PolarHBondContact O-N 2.97Å
361	H	94.8	Very high	92.4	Very high	38 Å²	38	58.6 Å²	58.6	18%	0.176	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	11	173.8	-51	121.7	0	0	0	116.5	L331 I334 A384 K385 C388	L331-H361 PolarHBondContact O-N 3.03Å; I334-H361 PolarHBondContact O-NE2 2.94Å; H361-A384 HydrophobicContact CB-CB 4.46Å; H361-K385 HydrophobicContact CB-CB 4.45Å; H361-C388 WeakPolarHBondContact CE1-CB 3.34Å; H361-C388 VanDerWaalsContact CE1-SG 3.55Å; H361-C388 WeakPolarHBondContact NE2-CB 3.33Å
362	R	93.2	Very high	92.1	Very high	95 Å²	95	56.4 Å²	56.4	36%	0.358	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-65	144.2	168.2	-63.7	-175.3	179.5	-165.2	3.6	109.4	S332 D358 M360	S332-R362 WeakPolarHBondContact CB-O 3.44Å; D358-R362 PolarHBondContact O-NE 3.08Å; D358-R362 PolarHBondContact O-NH2 2.83Å; M360-R362 PolarHBondContact O-N 2.97Å
363	Q	91.2	Very high	91.7	Very high	90 Å²	90	57.9 Å²	57.9	42%	0.421	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-63.4	135.5	168.8	-67	-61.4	-18.2	0	0	109.2	S379 I380	Q363-S379 PolarHBondContact NE2-O 2.59Å; Q363-I380 PolarHBondContact NE2-O 3.27Å
364	P	91.8	Very high	91.4	Very high	24 Å²	24	61.6 Å²	61.6	16%	0.156	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-69.8	153.3	-176.8	32.1	-37.5	0	0	0	111.1	L200 D329	L200-P364 HydrophobicContact CB-CG 4.32Å; D329-P364 HydrophobicContact CB-CB 3.69Å; D329-P364 VanDerWaalsContact CG-CA 3.48Å; D329-P364 WeakPolarHBondContact OD1-CA 3.08Å
365	K	90.4	Very high	91.2	Very high	136 Å²	136	59.1 Å²	59.1	59%	0.591	31%	0.307	S	S	*	.	S	Bend	trans	-83.9	-19.9	175.3	-60.8	172.8	-174.1	169.7	0	113	F326 D329	F326-K365 PolarHBondContact O-NZ 2.67Å; D329-K365 PolarHBondContact OD1-N 2.73Å; D329-K365 VanDerWaalsContact OD1-N 3.1Å; D329-K365 PolarHBondContact OD2-N 3.02Å
366	Q	89.6	Confident	91	Very high	132 Å²	132	57.6 Å²	57.6	62%	0.617	30%	0.3	S	S	*	.	S	Bend	trans	-133.8	152.9	-179.8	-55.5	-179.9	9.7	0	0	109.9	D329 H368	D329-Q366 PolarHBondContact OD2-N 3Å; Q366-H368 VanDerWaalsContact C-N 3.26Å; Q366-H368 PolarHBondContact O-CD2 3.02Å; Q366-H368 PolarHBondContact O-N 2.72Å
367	D	85.1	Confident	90.7	Very high	96 Å²	96	61.3 Å²	61.3	51%	0.513	32%	0.318	S	S	.	.			trans	-72.1	-16.8	-177	-56.8	-54.4	0	0	0	113.9	G369 V370 Y372	D367-G369 PolarHBondContact O-N 3.21Å; D367-V370 WeakPolarHBondContact O-CB 3.49Å; D367-V370 WeakPolarHBondContact O-CG2 3.36Å; D367-V370 PolarHBondContact O-N 2.94Å; D367-Y372 HydrophobicContact CB-CE2 4.31Å; D367-Y372 VanDerWaalsContact OD1-CE2 3.26Å; D367-Y372 WeakPolarHBondContact OD1-CE2 3.22Å; D367-Y372 PolarHBondContact OD1-OH 2.89Å
368	H	88.6	Confident	90.5	Very high	65 Å²	65	61 Å²	61	30%	0.301	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	25.1	-177.4	-62	-67	0	0	0	115.5	Y302 D329 Q366	Y302-H368 HydrophobicContact CD1-CB 4.08Å; Y302-H368 AromaticContact CD1-CG 3.77Å; Y302-H368 AromaticContact CD1-ND1 3.81Å; Y302-H368 HydrophobicContact CE1-CB 4.21Å; Y302-H368 AromaticContact CE1-CD2 3.55Å; Y302-H368 AromaticContact CE1-CE1 3.45Å; Y302-H368 VanDerWaalsContact CE1-CE1 3.45Å; Y302-H368 WeakPolarHBondContact CE1-CE1 3.48Å; Y302-H368 AromaticContact CE1-CG 3.42Å; Y302-H368 VanDerWaalsContact CE1-CG 3.42Å; Y302-H368 AromaticContact CE1-ND1 3.38Å; Y302-H368 WeakPolarHBondContact CE1-ND1 3.24Å; Y302-H368 AromaticContact CE1-NE2 3.57Å; Y302-H368 AromaticContact CZ-CE1 3.4Å; Y302-H368 VanDerWaalsContact CZ-CE1 3.4Å; Y302-H368 AromaticContact CZ-ND1 3.67Å; Y302-H368 AromaticContact CZ-NE2 3.78Å; Y302-H368 PolarHBondContact OH-CE1 2.82Å; Y302-H368 VanDerWaalsContact OH-CE1 3.28Å; Y302-H368 PolarHBondContact OH-NE2 2.8Å; D329-H368 VanDerWaalsContact CB-NE2 3.3Å; D329-H368 WeakPolarHBondContact CB-NE2 3.41Å; D329-H368 IonicContact OD2-CD2 2.72Å; D329-H368 IonicContact OD2-CE1 2.67Å; D329-H368 IonicContact OD2-NE2 3.15Å; D329-H368 PolarHBondContact OD2-NE2 3.25Å; Q366-H368 VanDerWaalsContact C-N 3.26Å; Q366-H368 PolarHBondContact O-CD2 3.02Å; Q366-H368 PolarHBondContact O-N 2.72Å
369	G	86.4	Confident	90.4	Very high	83 Å²	83	57.9 Å²	57.9	86%	0.856	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	24.3	-176.9	0	0	0	0	0	114.8	D367	D367-G369 PolarHBondContact O-N 3.21Å
370	V	87.9	Confident	90.2	Very high	31 Å²	31	60.6 Å²	60.6	19%	0.188	31%	0.313	C	S	.	.			trans	-82.9	136.2	-174.3	173.5	0	0	0	0	112.5	L200 D367 Y372 V375	L200-V370 WeakPolarHBondContact O-CG2 3.3Å; D367-V370 WeakPolarHBondContact O-CB 3.49Å; D367-V370 WeakPolarHBondContact O-CG2 3.36Å; D367-V370 PolarHBondContact O-N 2.94Å; V370-Y372 PolarHBondContact O-N 3Å; V370-V375 HydrophobicContact CG1-CG2 3.43Å; V370-V375 VanDerWaalsContact CG1-CG2 3.43Å
371	D	88.2	Confident	90	Very high	68 Å²	68	64.3 Å²	64.3	36%	0.364	33%	0.334	S	S	.	.			trans	-88.3	90.5	175.6	179.8	-3	0	0	0	110.3	S373 K374 V375	D371-S373 PolarHBondContact O-N 3.17Å; D371-S373 WeakPolarHBondContact OD1-CB 3.43Å; D371-S373 PolarHBondContact OD1-N 3.21Å; D371-S373 PolarHBondContact OD1-OG 3.35Å; D371-K374 PolarHBondContact O-N 3.19Å; D371-K374 WeakPolarHBondContact OD2-CD 3.46Å; D371-K374 IonicContact OD2-NZ 3.49Å; D371-K374 PolarHBondContact OD2-NZ 2.85Å; D371-V375 PolarHBondContact O-N 3.47Å
372	Y	88.5	Confident	89.8	Confident	98 Å²	98	63.8 Å²	63.8	38%	0.384	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-54.4	-22.9	-179.4	-70.8	-74.2	0	0	0	114.6	R196 L200 D367 V370 K374 V375	R196-Y372 PolarHBondContact NH1-O 2.94Å; L200-Y372 HydrophobicContact CD2-CD1 4.4Å; L200-Y372 HydrophobicContact CD2-CE1 3.87Å; D367-Y372 HydrophobicContact CB-CE2 4.31Å; D367-Y372 VanDerWaalsContact OD1-CE2 3.26Å; D367-Y372 WeakPolarHBondContact OD1-CE2 3.22Å; D367-Y372 PolarHBondContact OD1-OH 2.89Å; V370-Y372 PolarHBondContact O-N 3Å; Y372-K374 PolarHBondContact O-N 2.91Å; Y372-V375 PolarHBondContact O-N 2.65Å
373	S	87.8	Confident	89.9	Confident	69 Å²	69	59.8 Å²	59.8	48%	0.483	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-63	-29.6	175	73.8	0	0	0	0	112.4	R196 D371	R196-S373 PolarHBondContact NH1-O 2.96Å; D371-S373 PolarHBondContact O-N 3.17Å; D371-S373 WeakPolarHBondContact OD1-CB 3.43Å; D371-S373 PolarHBondContact OD1-N 3.21Å; D371-S373 PolarHBondContact OD1-OG 3.35Å
374	K	89.8	Confident	90	Very high	77 Å²	77	55.8 Å²	55.8	34%	0.335	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-102.4	-3.7	-177.7	-61.2	179.3	-177.2	59.2	0	113.4	R196 D197 L198 D371 Y372	R196-K374 CarbonylContact C-O 3.25Å; R196-K374 VanDerWaalsContact CA-O 3.32Å; R196-K374 WeakPolarHBondContact CA-O 3.46Å; D197-K374 PolarHBondContact N-O 3.28Å; L198-K374 HydrophobicContact CD1-CB 3.88Å; L198-K374 HydrophobicContact CG-CB 3.93Å; L198-K374 PolarHBondContact N-O 3.46Å; D371-K374 PolarHBondContact O-N 3.19Å; D371-K374 WeakPolarHBondContact OD2-CD 3.46Å; D371-K374 IonicContact OD2-NZ 3.49Å; D371-K374 PolarHBondContact OD2-NZ 2.85Å; Y372-K374 PolarHBondContact O-N 2.91Å
375	V	91.2	Very high	90.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-74.8	138.1	175.3	-178.5	0	0	0	0	109.8	R196 L198 L200 V370 D371 Y372 I380	R196-V375 WeakPolarHBondContact CD-O 3.44Å; R196-V375 PolarHBondContact NH1-O 3.46Å; L198-V375 HydrophobicContact CB-CG2 4.25Å; L198-V375 WeakPolarHBondContact O-CA 3.42Å; L200-V375 HydrophobicContact CD2-CG1 4.07Å; L200-V375 HydrophobicContact CG-CG1 4.15Å; V370-V375 HydrophobicContact CG1-CG2 3.43Å; V370-V375 VanDerWaalsContact CG1-CG2 3.43Å; D371-V375 PolarHBondContact O-N 3.47Å; Y372-V375 PolarHBondContact O-N 2.65Å; V375-I380 HydrophobicContact CB-CD1 4.16Å; V375-I380 HydrophobicContact CB-CG1 4.22Å; V375-I380 HydrophobicContact CG1-CD1 4.26Å; V375-I380 HydrophobicContact CG1-CG1 3.82Å
376	R	91.3	Very high	90.3	Very high	6 Å²	6	52 Å²	52	2%	0.023	29%	0.287	C	S	.	.			trans	-64.9	138.2	177.4	-63.2	-170.8	-161.2	103.8	-3.4	111.5	F48 Y49 R196 D197 L198 E335 W378 S379 I380	F48-R376 WeakPolarHBondContact O-CD 3.47Å; Y49-R376 PolarHBondContact OH-NH2 2.86Å; R196-R376 HydrophobicContact CB-CG 4.29Å; R196-R376 WeakPolarHBondContact O-CG 3.38Å; D197-R376 PolarHBondContact O-NH2 3.42Å; L198-R376 PolarHBondContact O-N 3.06Å; E335-R376 IonicContact OE1-CZ 2.96Å; E335-R376 IonicContact OE1-NH1 2.73Å; E335-R376 PolarHBondContact OE1-NH1 2.98Å; E335-R376 IonicContact OE1-NH2 2.71Å; E335-R376 IonicContact OE2-NH1 3.39Å; R376-W378 HydrophobicContact CB-CD2 4.2Å; R376-W378 HydrophobicContact CB-CG 4.36Å; R376-W378 HydrophobicContact CB-CZ2 4.42Å; R376-W378 VanDerWaalsContact CD-CE2 3.49Å; R376-W378 VanDerWaalsContact CD-CZ2 3.44Å; R376-W378 PolarHBondContact O-N 3.19Å; R376-S379 WeakPolarHBondContact O-CB 3.4Å; R376-S379 PolarHBondContact O-N 3.34Å; R376-I380 PolarHBondContact O-N 2.9Å
377	M	90.1	Very high	90.6	Very high	78 Å²	78	45.7 Å²	45.7	38%	0.384	26%	0.257	S	S	.	.	H	α-helix	trans	-58	-36.3	-178.2	-70.1	-54.5	-58	0	0	112.7	R196 S379 I380 N381	R196-M377 VanDerWaalsContact CZ-SD 3.59Å; M377-S379 VanDerWaalsContact C-N 3.25Å; M377-S379 PolarHBondContact O-N 2.83Å; M377-I380 PolarHBondContact O-N 3.14Å; M377-I380 HydrophobicContact SD-CD1 4.04Å; M377-N381 VanDerWaalsContact O-CB 3.3Å; M377-N381 WeakPolarHBondContact O-CB 3.13Å; M377-N381 PolarHBondContact O-N 3.04Å; M377-N381 PolarHBondContact O-OD1 3.15Å
378	W	91.8	Very high	91.1	Very high	11 Å²	11	41.3 Å²	41.3	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-66.9	-22.9	175.8	58.3	-112.5	0	0	0	113.8	F48 E335 R376 L383 A384 Y387	F48-W378 HydrophobicContact CD1-CH2 4.24Å; F48-W378 AromaticContact CD1-CZ2 3.81Å; F48-W378 HydrophobicContact CD1-CZ2 3.81Å; F48-W378 PolarHBondContact O-NE1 2.78Å; F48-W378 VanDerWaalsContact O-NE1 3.14Å; E335-W378 HydrophobicContact CG-CH2 4.17Å; R376-W378 HydrophobicContact CB-CD2 4.2Å; R376-W378 HydrophobicContact CB-CG 4.36Å; R376-W378 HydrophobicContact CB-CZ2 4.42Å; R376-W378 VanDerWaalsContact CD-CE2 3.49Å; R376-W378 VanDerWaalsContact CD-CZ2 3.44Å; R376-W378 PolarHBondContact O-N 3.19Å; W378-L383 HydrophobicContact CB-CB 4.04Å; W378-L383 HydrophobicContact CB-CD1 4.47Å; W378-L383 CarbonylContact O-C 3.43Å; W378-L383 WeakPolarHBondContact O-CA 3.1Å; W378-L383 WeakPolarHBondContact O-CB 3.3Å; W378-L383 PolarHBondContact O-N 2.7Å; W378-A384 HydrophobicContact CE3-CB 3.98Å; W378-A384 HydrophobicContact CZ3-CB 3.82Å; W378-A384 PolarHBondContact O-N 2.98Å; W378-A384 VanDerWaalsContact O-N 3.16Å; W378-Y387 HydrophobicContact CB-CD2 3.89Å; W378-Y387 HydrophobicContact CB-CE2 3.4Å; W378-Y387 VanDerWaalsContact CB-CE2 3.4Å; W378-Y387 AromaticContact CD1-CD1 3.99Å; W378-Y387 AromaticContact CD1-CE1 3.58Å; W378-Y387 AromaticContact CD1-CE2 3.92Å; W378-Y387 AromaticContact CD1-CZ 3.54Å; W378-Y387 HydrophobicContact CD2-CD1 4.04Å; W378-Y387 AromaticContact CD2-CD2 3.76Å; W378-Y387 HydrophobicContact CD2-CD2 3.76Å; W378-Y387 HydrophobicContact CD2-CE1 4.34Å; W378-Y387 HydrophobicContact CD2-CE2 4.08Å; W378-Y387 AromaticContact CD2-CG 3.75Å; W378-Y387 HydrophobicContact CD2-CG 3.75Å; W378-Y387 AromaticContact CE2-CD1 3.75Å; W378-Y387 AromaticContact CE2-CG 3.86Å; W378-Y387 AromaticContact CE3-CD2 3.97Å; W378-Y387 HydrophobicContact CE3-CD2 3.97Å; W378-Y387 HydrophobicContact CE3-CG 4.01Å; W378-Y387 HydrophobicContact CG-CD1 4.19Å; W378-Y387 AromaticContact CG-CD2 3.77Å; W378-Y387 HydrophobicContact CG-CD2 3.77Å; W378-Y387 HydrophobicContact CG-CE1 4.01Å; W378-Y387 AromaticContact CG-CE2 3.56Å; W378-Y387 HydrophobicContact CG-CE2 3.56Å; W378-Y387 HydrophobicContact CG-CG 4.09Å; W378-Y387 AromaticContact CG-CZ 3.68Å; W378-Y387 HydrophobicContact CZ2-CD1 4.19Å; W378-Y387 HydrophobicContact CZ2-CG 4.24Å; W378-Y387 HydrophobicContact CZ3-CG 4.39Å; W378-Y387 AromaticContact NE1-CD1 3.73Å; W378-Y387 AromaticContact NE1-CE1 3.67Å
379	S	91.8	Very high	91.6	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-75.7	-48.8	171.5	-48.4	0	0	0	0	110.6	L200 Q363 R376 M377 N381 G382	L200-S379 WeakPolarHBondContact CD1-O 3.47Å; Q363-S379 PolarHBondContact NE2-O 2.59Å; R376-S379 WeakPolarHBondContact O-CB 3.4Å; R376-S379 PolarHBondContact O-N 3.34Å; M377-S379 VanDerWaalsContact C-N 3.25Å; M377-S379 PolarHBondContact O-N 2.83Å; S379-N381 VanDerWaalsContact C-N 3.31Å; S379-N381 PolarHBondContact O-N 2.82Å; S379-G382 PolarHBondContact O-N 2.85Å; S379-G382 VanDerWaalsContact O-N 3.15Å
380	I	90.2	Very high	92.1	Very high	57 Å²	57	34.8 Å²	34.8	29%	0.292	18%	0.182	S	C	.	.	H	α-helix	trans	-56.4	-46.1	177.2	-63.7	164.6	0	0	0	110.4	Q363 V375 R376 M377 G382	Q363-I380 PolarHBondContact NE2-O 3.27Å; V375-I380 HydrophobicContact CB-CD1 4.16Å; V375-I380 HydrophobicContact CB-CG1 4.22Å; V375-I380 HydrophobicContact CG1-CD1 4.26Å; V375-I380 HydrophobicContact CG1-CG1 3.82Å; R376-I380 PolarHBondContact O-N 2.9Å; M377-I380 PolarHBondContact O-N 3.14Å; M377-I380 HydrophobicContact SD-CD1 4.04Å; I380-G382 PolarHBondContact O-N 2.73Å; I380-G382 VanDerWaalsContact O-N 3.13Å
381	N	90.5	Very high	92.6	Very high	95 Å²	95	33.4 Å²	33.4	51%	0.508	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	7.9	-177	-61.8	2.5	0	0	0	113.9	M377 S379 L383	M377-N381 VanDerWaalsContact O-CB 3.3Å; M377-N381 WeakPolarHBondContact O-CB 3.13Å; M377-N381 PolarHBondContact O-N 3.04Å; M377-N381 PolarHBondContact O-OD1 3.15Å; S379-N381 VanDerWaalsContact C-N 3.31Å; S379-N381 PolarHBondContact O-N 2.82Å; N381-L383 HydrophobicContact CB-CD1 4.11Å; N381-L383 HydrophobicContact CB-CG 4.08Å; N381-L383 PolarHBondContact O-N 3.25Å
382	G	91.4	Very high	93.1	Very high	26 Å²	26	30.3 Å²	30.3	27%	0.268	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	11.8	178.8	0	0	0	0	0	115.3	S379 I380 A384	S379-G382 PolarHBondContact O-N 2.85Å; S379-G382 VanDerWaalsContact O-N 3.15Å; I380-G382 PolarHBondContact O-N 2.73Å; I380-G382 VanDerWaalsContact O-N 3.13Å; G382-A384 VanDerWaalsContact C-N 3.31Å; G382-A384 PolarHBondContact O-N 3.01Å
383	L	93.5	Very high	93.5	Very high	12 Å²	12	25.7 Å²	25.7	6%	0.063	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.7	-178.5	-55.5	174.2	0	0	0	112.8	A54 L57 W378 N381 K385 Y386 Y387	A54-L383 HydrophobicContact CB-CD1 4.04Å; A54-L383 HydrophobicContact CB-CD2 3.86Å; L57-L383 HydrophobicContact CD1-CB 4.46Å; L57-L383 HydrophobicContact CD1-CD1 4.24Å; W378-L383 HydrophobicContact CB-CB 4.04Å; W378-L383 HydrophobicContact CB-CD1 4.47Å; W378-L383 CarbonylContact O-C 3.43Å; W378-L383 WeakPolarHBondContact O-CA 3.1Å; W378-L383 WeakPolarHBondContact O-CB 3.3Å; W378-L383 PolarHBondContact O-N 2.7Å; N381-L383 HydrophobicContact CB-CD1 4.11Å; N381-L383 HydrophobicContact CB-CG 4.08Å; N381-L383 PolarHBondContact O-N 3.25Å; L383-K385 PolarHBondContact O-N 3.3Å; L383-Y386 HydrophobicContact CB-CD2 4.15Å; L383-Y386 HydrophobicContact CD2-CD2 4Å; L383-Y386 HydrophobicContact CD2-CE2 3.95Å; L383-Y386 WeakPolarHBondContact O-CB 3.45Å; L383-Y386 PolarHBondContact O-N 2.91Å; L383-Y387 HydrophobicContact CB-CE2 4.38Å
384	A	93.7	Very high	93.9	Very high	5 Å²	5	22.4 Å²	22.4	4%	0.041	12%	0.116	C	C	.	.	H	α-helix	trans	-50.6	-33.2	-176.8	0	0	0	0	0	114.6	H361 W378 G382 Y386 Y387 C388	H361-A384 HydrophobicContact CB-CB 4.46Å; W378-A384 HydrophobicContact CE3-CB 3.98Å; W378-A384 HydrophobicContact CZ3-CB 3.82Å; W378-A384 PolarHBondContact O-N 2.98Å; W378-A384 VanDerWaalsContact O-N 3.16Å; G382-A384 VanDerWaalsContact C-N 3.31Å; G382-A384 PolarHBondContact O-N 3.01Å; A384-Y386 PolarHBondContact O-N 3.43Å; A384-Y387 PolarHBondContact O-N 2.81Å; A384-C388 PolarHBondContact O-N 3.36Å
385	K	94.1	Very high	94	Very high	69 Å²	69	20.7 Å²	20.7	30%	0.3	11%	0.114	S	C	.	.	H	α-helix	trans	-55.2	-31.5	173.6	72.4	-165.9	-175.6	-169.5	0	113.5	E58 H361 L383	E58-K385 IonicContact OE1-NZ 2.8Å; E58-K385 PolarHBondContact OE1-NZ 3.27Å; H361-K385 HydrophobicContact CB-CB 4.45Å; L383-K385 PolarHBondContact O-N 3.3Å
386	Y	95.1	Very high	94.1	Very high	11 Å²	11	22.3 Å²	22.3	4%	0.043	12%	0.122	C	C	.	.	H	α-helix	trans	-80.5	-23.7	178.5	-60	-52.6	0	0	0	113.3	L57 E58 V61 L383 A384 H410 N411 Y412	L57-Y386 HydrophobicContact CB-CD2 3.9Å; L57-Y386 HydrophobicContact CB-CE2 4.28Å; L57-Y386 HydrophobicContact CB-CG 4.2Å; L57-Y386 HydrophobicContact CD1-CD2 4.16Å; E58-Y386 HydrophobicContact CG-CE2 3.85Å; E58-Y386 WeakPolarHBondContact CG-OH 3.45Å; E58-Y386 WeakPolarHBondContact OE1-CE2 3.39Å; E58-Y386 PolarHBondContact OE1-OH 3.06Å; V61-Y386 HydrophobicContact CB-CD1 4.31Å; V61-Y386 HydrophobicContact CB-CE1 4.02Å; V61-Y386 HydrophobicContact CG1-CD1 4.36Å; V61-Y386 HydrophobicContact CG1-CE1 3.99Å; V61-Y386 HydrophobicContact CG2-CD1 3.84Å; V61-Y386 HydrophobicContact CG2-CE1 4.07Å; L383-Y386 HydrophobicContact CB-CD2 4.15Å; L383-Y386 HydrophobicContact CD2-CD2 4Å; L383-Y386 HydrophobicContact CD2-CE2 3.95Å; L383-Y386 WeakPolarHBondContact O-CB 3.45Å; L383-Y386 PolarHBondContact O-N 2.91Å; A384-Y386 PolarHBondContact O-N 3.43Å; Y386-H410 HydrophobicContact CD1-CB 3.9Å; Y386-H410 WeakPolarHBondContact CD1-O 3.37Å; Y386-H410 HydrophobicContact CE1-CB 4.22Å; Y386-N411 WeakPolarHBondContact O-CA 3.43Å; Y386-Y412 WeakPolarHBondContact O-CD1 3.2Å; Y386-Y412 PolarHBondContact O-N 3.05Å
387	Y	95.4	Very high	94.1	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-94.9	-16.3	179.2	-69.9	-99.9	0	0	0	112.6	H47 H52 L57 W378 L383 A384 Q389 Y412	H47-Y387 PolarHBondContact NE2-O 3.13Å; H47-Y387 VanDerWaalsContact O-CD1 3.22Å; H47-Y387 WeakPolarHBondContact O-CD1 3.47Å; H52-Y387 PolarHBondContact N-OH 3.38Å; H52-Y387 VanDerWaalsContact N-OH 3.11Å; L57-Y387 HydrophobicContact CD1-CE2 3.66Å; W378-Y387 HydrophobicContact CB-CD2 3.89Å; W378-Y387 HydrophobicContact CB-CE2 3.4Å; W378-Y387 VanDerWaalsContact CB-CE2 3.4Å; W378-Y387 AromaticContact CD1-CD1 3.99Å; W378-Y387 AromaticContact CD1-CE1 3.58Å; W378-Y387 AromaticContact CD1-CE2 3.92Å; W378-Y387 AromaticContact CD1-CZ 3.54Å; W378-Y387 HydrophobicContact CD2-CD1 4.04Å; W378-Y387 AromaticContact CD2-CD2 3.76Å; W378-Y387 HydrophobicContact CD2-CD2 3.76Å; W378-Y387 HydrophobicContact CD2-CE1 4.34Å; W378-Y387 HydrophobicContact CD2-CE2 4.08Å; W378-Y387 AromaticContact CD2-CG 3.75Å; W378-Y387 HydrophobicContact CD2-CG 3.75Å; W378-Y387 AromaticContact CE2-CD1 3.75Å; W378-Y387 AromaticContact CE2-CG 3.86Å; W378-Y387 AromaticContact CE3-CD2 3.97Å; W378-Y387 HydrophobicContact CE3-CD2 3.97Å; W378-Y387 HydrophobicContact CE3-CG 4.01Å; W378-Y387 HydrophobicContact CG-CD1 4.19Å; W378-Y387 AromaticContact CG-CD2 3.77Å; W378-Y387 HydrophobicContact CG-CD2 3.77Å; W378-Y387 HydrophobicContact CG-CE1 4.01Å; W378-Y387 AromaticContact CG-CE2 3.56Å; W378-Y387 HydrophobicContact CG-CE2 3.56Å; W378-Y387 HydrophobicContact CG-CG 4.09Å; W378-Y387 AromaticContact CG-CZ 3.68Å; W378-Y387 HydrophobicContact CZ2-CD1 4.19Å; W378-Y387 HydrophobicContact CZ2-CG 4.24Å; W378-Y387 HydrophobicContact CZ3-CG 4.39Å; W378-Y387 AromaticContact NE1-CD1 3.73Å; W378-Y387 AromaticContact NE1-CE1 3.67Å; L383-Y387 HydrophobicContact CB-CE2 4.38Å; A384-Y387 PolarHBondContact O-N 2.81Å; Y387-Q389 PolarHBondContact O-N 3.42Å; Y387-Y412 HydrophobicContact CD1-CD1 4.38Å; Y387-Y412 AromaticContact CD1-CE1 3.72Å; Y387-Y412 HydrophobicContact CD1-CE1 3.72Å; Y387-Y412 HydrophobicContact CE1-CD1 4.48Å; Y387-Y412 AromaticContact CE1-CE1 3.73Å; Y387-Y412 HydrophobicContact CE1-CE1 3.73Å; Y387-Y412 HydrophobicContact CG-CE1 4.33Å
388	C	96.5	Very high	94.2	Very high	4 Å²	4	20 Å²	20	3%	0.027	11%	0.113	C	C	.	.			trans	-72.6	124.6	179.2	-177.7	0	0	0	0	111.9	I334 E335 H361 A384	I334-C388 PolarHBondContact O-SG 3.36Å; I334-C388 VanDerWaalsContact O-SG 3.39Å; E335-C388 WeakPolarHBondContact O-CA 3.43Å; H361-C388 WeakPolarHBondContact CE1-CB 3.34Å; H361-C388 VanDerWaalsContact CE1-SG 3.55Å; H361-C388 WeakPolarHBondContact NE2-CB 3.33Å; A384-C388 PolarHBondContact O-N 3.36Å
389	Q	97.5	Very high	94.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.2	172.6	-173.7	-175.5	23	0	0	111.2	I138 Y141 H142 D143 H164 E335 V336 L337 Y387 I391	I138-Q389 PolarHBondContact O-NE2 3.43Å; Y141-Q389 HydrophobicContact CD1-CB 4.37Å; Y141-Q389 VanDerWaalsContact CD1-OE1 3.23Å; H142-Q389 WeakPolarHBondContact O-CG 3.47Å; H142-Q389 PolarHBondContact O-NE2 3.35Å; D143-Q389 VanDerWaalsContact OD1-CA 3.26Å; D143-Q389 WeakPolarHBondContact OD1-CA 3.5Å; H164-Q389 PolarHBondContact CE1-OE1 2.9Å; H164-Q389 PolarHBondContact NE2-OE1 3.24Å; E335-Q389 PolarHBondContact O-N 3.5Å; V336-Q389 CarbonylContact C-O 3.57Å; V336-Q389 WeakPolarHBondContact CA-O 3.42Å; V336-Q389 HydrophobicContact CG1-CB 4.38Å; V336-Q389 HydrophobicContact CG2-CB 4.47Å; L337-Q389 PolarHBondContact N-O 3.19Å; Y387-Q389 PolarHBondContact O-N 3.42Å; Q389-I391 HydrophobicContact CG-CD1 4.37Å; Q389-I391 HydrophobicContact CG-CG1 4.07Å
390	T	97.9	Very high	94.2	Very high	11 Å²	11	25.6 Å²	25.6	7%	0.067	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.8	176.8	-59	0	0	0	0	110.8	D143 M144 L337 I392 F405	D143-T390 CarbonylContact C-O 3.28Å; D143-T390 VanDerWaalsContact CA-O 3.32Å; D143-T390 WeakPolarHBondContact CA-O 3.41Å; D143-T390 WeakPolarHBondContact CB-O 3.36Å; D143-T390 PolarHBondContact OD1-N 3.31Å; M144-T390 PolarHBondContact N-O 3.04Å; L337-T390 HydrophobicContact CD2-CG2 4.21Å; T390-I392 HydrophobicContact CG2-CD1 4.31Å; T390-I392 HydrophobicContact CG2-CG1 4.07Å; T390-F405 HydrophobicContact CG2-CD2 4.11Å; T390-F405 HydrophobicContact CG2-CE2 4.24Å
391	I	98.1	Very high	94.4	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	116.6	179.9	-51.9	173.9	0	0	0	109.1	I138 M144 V336 L337 I338 M339 Q389 F393	I138-I391 HydrophobicContact CB-CD1 3.93Å; I138-I391 HydrophobicContact CD1-CD1 4.17Å; I138-I391 HydrophobicContact CG2-CD1 3.86Å; I138-I391 HydrophobicContact CG2-CG1 4.25Å; I138-I391 HydrophobicContact CG2-CG2 4.43Å; M144-I391 HydrophobicContact CB-CG2 4.49Å; M144-I391 CarbonylContact O-C 3.35Å; M144-I391 WeakPolarHBondContact O-CA 3.32Å; V336-I391 HydrophobicContact CG1-CD1 4.19Å; L337-I391 PolarHBondContact O-N 3.22Å; I338-I391 CarbonylContact C-O 3.53Å; I338-I391 WeakPolarHBondContact CA-O 3.03Å; I338-I391 HydrophobicContact CG1-CB 4.42Å; I338-I391 HydrophobicContact CG1-CD1 4.34Å; I338-I391 HydrophobicContact CG2-CB 4.47Å; M339-I391 PolarHBondContact N-O 3.46Å; Q389-I391 HydrophobicContact CG-CD1 4.37Å; Q389-I391 HydrophobicContact CG-CG1 4.07Å; I391-F393 HydrophobicContact CG2-CD2 4.09Å; I391-F393 HydrophobicContact CG2-CE1 4.36Å; I391-F393 HydrophobicContact CG2-CE2 3.35Å; I391-F393 HydrophobicContact CG2-CZ 3.51Å
392	I	98	Very high	94.6	Very high	2 Å²	2	22 Å²	22	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121	179.5	-53.6	-169.5	0	0	0	109.8	M144 F145 Y146 M339 A342 T390 I401 F405	M144-I392 PolarHBondContact O-N 3.21Å; F145-I392 WeakPolarHBondContact CA-O 3.4Å; F145-I392 HydrophobicContact CD2-CB 3.9Å; F145-I392 HydrophobicContact CD2-CG2 3.86Å; F145-I392 HydrophobicContact CE2-CG2 4.06Å; Y146-I392 PolarHBondContact N-O 3.26Å; M339-I392 HydrophobicContact CB-CB 4.49Å; M339-I392 HydrophobicContact CB-CG1 4.2Å; M339-I392 HydrophobicContact CB-CG2 4.29Å; M339-I392 HydrophobicContact CE-CD1 4.42Å; M339-I392 WeakPolarHBondContact O-CA 3.48Å; M339-I392 HydrophobicContact SD-CD1 3.95Å; M339-I392 HydrophobicContact SD-CG1 4.19Å; A342-I392 HydrophobicContact CB-CG2 3.62Å; T390-I392 HydrophobicContact CG2-CD1 4.31Å; T390-I392 HydrophobicContact CG2-CG1 4.07Å; I392-I401 HydrophobicContact CG2-CG2 3.91Å; I392-F405 HydrophobicContact CD1-CB 4.07Å; I392-F405 HydrophobicContact CD1-CD2 3.83Å; I392-F405 HydrophobicContact CD1-CG 4.44Å; I392-F405 HydrophobicContact CG1-CD2 4.04Å
393	F	97.4	Very high	94.6	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.3	171	-59.2	-78.2	0	0	0	109.7	I134 Y146 L157 I161 I338 M339 D340 Q341 A342 I391	I134-F393 HydrophobicContact CD1-CE1 4.43Å; I134-F393 HydrophobicContact CG2-CE1 4.21Å; I134-F393 HydrophobicContact CG2-CZ 4.29Å; Y146-F393 AromaticContact CD1-CD1 3.91Å; Y146-F393 HydrophobicContact CD1-CD1 3.91Å; Y146-F393 HydrophobicContact CG-CD1 4.23Å; L157-F393 HydrophobicContact CD2-CD1 4.11Å; L157-F393 HydrophobicContact CD2-CE1 3.97Å; I161-F393 HydrophobicContact CD1-CD2 3.93Å; I161-F393 HydrophobicContact CD1-CE2 3.84Å; I161-F393 HydrophobicContact CG1-CD2 4.26Å; I161-F393 HydrophobicContact CG1-CE2 3.64Å; I161-F393 HydrophobicContact CG1-CZ 4.36Å; I338-F393 HydrophobicContact CG2-CD2 4.39Å; I338-F393 HydrophobicContact CG2-CE2 4.23Å; M339-F393 PolarHBondContact O-N 3.38Å; D340-F393 WeakPolarHBondContact OD1-CB 3.34Å; Q341-F393 PolarHBondContact N-O 3.35Å; Q341-F393 VanDerWaalsContact N-O 3.08Å; A342-F393 PolarHBondContact N-O 2.82Å; I391-F393 HydrophobicContact CG2-CD2 4.09Å; I391-F393 HydrophobicContact CG2-CE1 4.36Å; I391-F393 HydrophobicContact CG2-CE2 3.35Å; I391-F393 HydrophobicContact CG2-CZ 3.51Å
394	S	95.8	Very high	94.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.			trans	-143.4	150.9	-177	-173	0	0	0	0	110.7	Y146 A147 R148 R149 D343 I396	Y146-S394 PolarHBondContact O-N 3.18Å; Y146-S394 VanDerWaalsContact O-O 3.09Å; A147-S394 CarbonylContact C-O 3.55Å; A147-S394 VanDerWaalsContact C-O 3.25Å; A147-S394 WeakPolarHBondContact CA-O 3.45Å; R148-S394 PolarHBondContact N-O 3.4Å; R148-S394 VanDerWaalsContact N-O 3.15Å; R149-S394 WeakPolarHBondContact CB-O 3.5Å; R149-S394 PolarHBondContact N-O 3.01Å; D343-S394 WeakPolarHBondContact CB-OG 3.41Å; D343-S394 WeakPolarHBondContact OD1-CA 3.49Å; D343-S394 PolarHBondContact OD1-OG 3Å; S394-I396 VanDerWaalsContact C-N 3.33Å; S394-I396 WeakPolarHBondContact CB-O 3.47Å; S394-I396 PolarHBondContact OG-N 3.13Å; S394-I396 PolarHBondContact OG-O 3.05Å
395	S	93.4	Very high	94.7	Very high	41 Å²	41	24.1 Å²	24.1	29%	0.287	13%	0.132	S	C	.	.	S	Bend	trans	-75.5	-24.2	170.4	72.2	0	0	0	0	113.1	R149 D343	R149-S395 WeakPolarHBondContact O-CA 3.32Å; R149-S395 WeakPolarHBondContact O-CB 3.25Å; D343-S395 PolarHBondContact OD1-N 3.31Å; D343-S395 WeakPolarHBondContact OD2-CB 3.46Å; D343-S395 PolarHBondContact OD2-OG 2.88Å
396	I	92.4	Very high	94.6	Very high	34 Å²	34	24 Å²	24	17%	0.174	14%	0.135	C	C	.	.	S	Bend	trans	-140.1	158.1	-174.1	54.6	170.9	0	0	0	112.1	D343 S394 T398 T554 Y555	D343-I396 HydrophobicContact CB-CD1 4.19Å; D343-I396 HydrophobicContact CB-CG1 3.69Å; S394-I396 VanDerWaalsContact C-N 3.33Å; S394-I396 WeakPolarHBondContact CB-O 3.47Å; S394-I396 PolarHBondContact OG-N 3.13Å; S394-I396 PolarHBondContact OG-O 3.05Å; I396-T398 HydrophobicContact CD1-CG2 3.82Å; I396-T398 HydrophobicContact CG1-CG2 4.18Å; I396-T554 HydrophobicContact CD1-CG2 3.78Å; I396-T554 WeakPolarHBondContact CD1-O 3.45Å; I396-Y555 HydrophobicContact CD1-CD1 3.98Å; I396-Y555 HydrophobicContact CD1-CE1 3.94Å; I396-Y555 HydrophobicContact CD1-CG 4.38Å; I396-Y555 HydrophobicContact CG1-CE1 4.4Å
397	T	91.1	Very high	94.4	Very high	31 Å²	31	31.3 Å²	31.3	19%	0.19	16%	0.162	C	C	.	.			trans	-94.7	131.5	166	-61.5	0	0	0	0	109.6	F145 A147 Q402	F145-T397 HydrophobicContact CE1-CG2 4.19Å; F145-T397 HydrophobicContact CZ-CG2 4.36Å; A147-T397 WeakPolarHBondContact CB-OG1 3.45Å; T397-Q402 HydrophobicContact CG2-CB 4.38Å
398	T	91.8	Very high	94.2	Very high	5 Å²	5	33 Å²	33	3%	0.031	17%	0.17	C	C	.	.			trans	-130.9	155.7	168	84.8	0	0	0	0	110.2	L346 I396 E400 I401 Q402 T554	L346-T398 HydrophobicContact CD1-CG2 3.7Å; I396-T398 HydrophobicContact CD1-CG2 3.82Å; I396-T398 HydrophobicContact CG1-CG2 4.18Å; T398-E400 WeakPolarHBondContact CB-OE2 3.38Å; T398-E400 PolarHBondContact O-N 2.81Å; T398-E400 PolarHBondContact OG1-N 2.83Å; T398-E400 PolarHBondContact OG1-OE2 3Å; T398-I401 HydrophobicContact CG2-CD1 4.41Å; T398-I401 PolarHBondContact O-N 3.38Å; T398-I401 PolarHBondContact OG1-N 2.72Å; T398-Q402 WeakPolarHBondContact O-CB 2.95Å; T398-Q402 PolarHBondContact O-N 2.93Å; T398-T554 HydrophobicContact CG2-CG2 3.9Å
399	P	91.9	Very high	93.9	Very high	60 Å²	60	33 Å²	33	39%	0.39	17%	0.17	S	C	.	.	H	α-helix	trans	-56.6	-33.1	178.2	-25.7	35.5	0	0	0	113.3	T403	P399-T403 WeakPolarHBondContact O-CB 3.29Å; P399-T403 PolarHBondContact O-N 2.94Å; P399-T403 PolarHBondContact O-OG1 2.9Å
400	E	92.5	Very high	93.6	Very high	70 Å²	70	34.7 Å²	34.7	33%	0.327	18%	0.178	S	C	.	.	H	α-helix	trans	-66.8	-46.9	179.4	-54.3	88.5	160.4	0	0	111.8	L346 W350 T398 A404	L346-E400 HydrophobicContact CD2-CB 3.94Å; L346-E400 HydrophobicContact CD2-CG 4.39Å; W350-E400 HydrophobicContact CZ2-CB 4.44Å; W350-E400 WeakPolarHBondContact CZ2-O 3.27Å; T398-E400 WeakPolarHBondContact CB-OE2 3.38Å; T398-E400 PolarHBondContact O-N 2.81Å; T398-E400 PolarHBondContact OG1-N 2.83Å; T398-E400 PolarHBondContact OG1-OE2 3Å; E400-A404 WeakPolarHBondContact O-CB 3.44Å; E400-A404 PolarHBondContact O-N 3.03Å
401	I	95	Very high	93.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.2	-45.8	178.6	-56.8	173.6	0	0	0	110.1	F145 A342 D343 L346 W350 I392 T398 T403 A404 F405	F145-I401 HydrophobicContact CD2-CG2 4.39Å; F145-I401 HydrophobicContact CE1-CG2 4.44Å; F145-I401 HydrophobicContact CE2-CG2 3.55Å; F145-I401 HydrophobicContact CZ-CB 4.24Å; F145-I401 HydrophobicContact CZ-CG2 3.59Å; A342-I401 HydrophobicContact CB-CD1 4.42Å; A342-I401 HydrophobicContact CB-CG2 4.49Å; D343-I401 HydrophobicContact CB-CD1 4.42Å; L346-I401 HydrophobicContact CD1-CD1 3.99Å; L346-I401 HydrophobicContact CD1-CG1 4.24Å; L346-I401 HydrophobicContact CD2-CG1 4.41Å; L346-I401 HydrophobicContact CG-CD1 4.49Å; W350-I401 HydrophobicContact CH2-CB 4.33Å; W350-I401 HydrophobicContact CH2-CG1 3.79Å; W350-I401 HydrophobicContact CZ2-CG1 4.34Å; W350-I401 HydrophobicContact CZ3-CG1 4.24Å; I392-I401 HydrophobicContact CG2-CG2 3.91Å; T398-I401 HydrophobicContact CG2-CD1 4.41Å; T398-I401 PolarHBondContact O-N 3.38Å; T398-I401 PolarHBondContact OG1-N 2.72Å; I401-T403 VanDerWaalsContact C-N 3.34Å; I401-T403 PolarHBondContact O-N 2.94Å; I401-A404 PolarHBondContact O-N 2.82Å; I401-F405 PolarHBondContact O-N 3.04Å
402	Q	93.1	Very high	93.2	Very high	77 Å²	77	35.4 Å²	35.4	36%	0.36	18%	0.179	S	C	.	.	H	α-helix	trans	-64.1	-38.9	179.5	-173.7	175.4	-4.9	0	0	111.8	F145 T397 T398 F405 L406	F145-Q402 HydrophobicContact CE1-CB 4.18Å; T397-Q402 HydrophobicContact CG2-CB 4.38Å; T398-Q402 WeakPolarHBondContact O-CB 2.95Å; T398-Q402 PolarHBondContact O-N 2.93Å; Q402-F405 PolarHBondContact O-N 3.25Å; Q402-L406 HydrophobicContact CG-CD1 3.96Å; Q402-L406 HydrophobicContact CG-CG 4.47Å; Q402-L406 WeakPolarHBondContact O-CB 3.47Å; Q402-L406 WeakPolarHBondContact O-CG 3.39Å; Q402-L406 PolarHBondContact O-N 3.48Å
403	T	92.7	Very high	92.9	Very high	81 Å²	81	36.2 Å²	36.2	50%	0.497	19%	0.186	S	C	.	.	H	α-helix	trans	-66.4	-44.1	174.1	-60	0	0	0	0	111.3	P399 I401 F405 L406 R407	P399-T403 WeakPolarHBondContact O-CB 3.29Å; P399-T403 PolarHBondContact O-N 2.94Å; P399-T403 PolarHBondContact O-OG1 2.9Å; I401-T403 VanDerWaalsContact C-N 3.34Å; I401-T403 PolarHBondContact O-N 2.94Å; T403-F405 VanDerWaalsContact C-N 3.3Å; T403-F405 PolarHBondContact O-N 3.05Å; T403-L406 PolarHBondContact O-N 3.19Å; T403-R407 WeakPolarHBondContact O-CB 3.35Å; T403-R407 PolarHBondContact O-N 3.05Å
404	A	93.6	Very high	92.6	Very high	6 Å²	6	36.1 Å²	36.1	5%	0.05	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-38	176.6	0	0	0	0	0	112.1	W350 I354 E400 I401 H408	W350-A404 HydrophobicContact CH2-CB 4.43Å; W350-A404 HydrophobicContact CZ2-CB 3.68Å; I354-A404 HydrophobicContact CD1-CB 4.39Å; E400-A404 WeakPolarHBondContact O-CB 3.44Å; E400-A404 PolarHBondContact O-N 3.03Å; I401-A404 PolarHBondContact O-N 2.82Å; A404-H408 PolarHBondContact O-CD2 3.19Å; A404-H408 VanDerWaalsContact O-CD2 3.3Å; A404-H408 PolarHBondContact O-N 3.08Å
405	F	94.9	Very high	92.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-64.2	170.3	-169.7	-106.7	0	0	0	110.8	D143 F145 T390 I392 I401 Q402 T403 R407 H408 A409 C415 I417	D143-F405 HydrophobicContact CB-CE2 4.15Å; D143-F405 HydrophobicContact CB-CZ 3.88Å; F145-F405 HydrophobicContact CB-CD1 3.93Å; F145-F405 HydrophobicContact CB-CD2 3.95Å; F145-F405 HydrophobicContact CB-CE1 3.93Å; F145-F405 HydrophobicContact CB-CE2 3.94Å; F145-F405 HydrophobicContact CB-CG 3.93Å; F145-F405 HydrophobicContact CB-CZ 3.91Å; F145-F405 HydrophobicContact CG-CG 4.44Å; T390-F405 HydrophobicContact CG2-CD2 4.11Å; T390-F405 HydrophobicContact CG2-CE2 4.24Å; I392-F405 HydrophobicContact CD1-CB 4.07Å; I392-F405 HydrophobicContact CD1-CD2 3.83Å; I392-F405 HydrophobicContact CD1-CG 4.44Å; I392-F405 HydrophobicContact CG1-CD2 4.04Å; I401-F405 PolarHBondContact O-N 3.04Å; Q402-F405 PolarHBondContact O-N 3.25Å; T403-F405 VanDerWaalsContact C-N 3.3Å; T403-F405 PolarHBondContact O-N 3.05Å; F405-R407 PolarHBondContact O-N 3.46Å; F405-R407 VanDerWaalsContact O-N 3.1Å; F405-H408 PolarHBondContact O-N 3.01Å; F405-H408 VanDerWaalsContact O-N 3.12Å; F405-A409 HydrophobicContact CD1-CB 4.26Å; F405-A409 HydrophobicContact CD2-CB 4.09Å; F405-A409 HydrophobicContact CE1-CB 4.21Å; F405-A409 HydrophobicContact CE2-CB 4.04Å; F405-A409 HydrophobicContact CG-CB 4.21Å; F405-A409 HydrophobicContact CZ-CB 4.11Å; F405-A409 WeakPolarHBondContact O-CA 3.09Å; F405-A409 WeakPolarHBondContact O-CB 3.36Å; F405-A409 PolarHBondContact O-N 2.9Å; F405-C415 HydrophobicContact CE1-CB 4.08Å; F405-C415 HydrophobicContact CZ-CB 3.98Å; F405-I417 HydrophobicContact CD1-CD1 3.99Å; F405-I417 HydrophobicContact CD1-CG1 4.02Å; F405-I417 HydrophobicContact CE1-CD1 3.94Å; F405-I417 HydrophobicContact CE1-CG1 3.58Å
406	L	92.3	Very high	92.6	Very high	68 Å²	68	34.2 Å²	34.2	36%	0.356	17%	0.172	S	C	.	.	H	α-helix	trans	-59.9	-28.6	-173.5	-69.9	173.7	0	0	0	114.4	F70 Q402 T403 I417	F70-L406 HydrophobicContact CE2-CD2 4.43Å; F70-L406 HydrophobicContact CZ-CD2 3.94Å; Q402-L406 HydrophobicContact CG-CD1 3.96Å; Q402-L406 HydrophobicContact CG-CG 4.47Å; Q402-L406 WeakPolarHBondContact O-CB 3.47Å; Q402-L406 WeakPolarHBondContact O-CG 3.39Å; Q402-L406 PolarHBondContact O-N 3.48Å; T403-L406 PolarHBondContact O-N 3.19Å; L406-I417 HydrophobicContact CD2-CD1 3.81Å
407	R	91	Very high	92.7	Very high	164 Å²	164	33.4 Å²	33.4	62%	0.619	17%	0.168	S	C	*	.	H	α-helix	trans	-79.5	-29.7	178.8	-178.3	176.5	171.1	145.9	-1.4	113.8	T403 F405 H410	T403-R407 WeakPolarHBondContact O-CB 3.35Å; T403-R407 PolarHBondContact O-N 3.05Å; F405-R407 PolarHBondContact O-N 3.46Å; F405-R407 VanDerWaalsContact O-N 3.1Å; R407-H410 PolarHBondContact O-CE1 2.99Å
408	H	90.5	Very high	92.8	Very high	37 Å²	37	32 Å²	32	17%	0.171	16%	0.159	C	C	.	.	H	α-helix	trans	-120.9	-12.7	-172	-58	-93.2	0	0	0	114.2	I357 D358 A404 F405 H410	I357-H408 HydrophobicContact CG2-CB 3.8Å; I357-H408 VanDerWaalsContact CG2-CG 3.48Å; I357-H408 VanDerWaalsContact CG2-ND1 3.32Å; I357-H408 WeakPolarHBondContact CG2-ND1 3.45Å; D358-H408 IonicContact OD1-CE1 3.63Å; D358-H408 PolarHBondContact OD1-CE1 2.82Å; A404-H408 PolarHBondContact O-CD2 3.19Å; A404-H408 VanDerWaalsContact O-CD2 3.3Å; A404-H408 PolarHBondContact O-N 3.08Å; F405-H408 PolarHBondContact O-N 3.01Å; F405-H408 VanDerWaalsContact O-N 3.12Å; H408-H410 PolarHBondContact O-N 2.82Å
409	A	90.6	Very high	92.5	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.017	18%	0.175	C	C	.	.			trans	-71.1	73.8	168.4	0	0	0	0	0	110.4	R84 D143 F405 N411	R84-A409 PolarHBondContact NH2-O 3.06Å; D143-A409 HydrophobicContact CB-CB 4.45Å; D143-A409 VanDerWaalsContact OD2-CA 3.24Å; D143-A409 WeakPolarHBondContact OD2-CA 3.16Å; D143-A409 WeakPolarHBondContact OD2-CB 3.35Å; F405-A409 HydrophobicContact CD1-CB 4.26Å; F405-A409 HydrophobicContact CD2-CB 4.09Å; F405-A409 HydrophobicContact CE1-CB 4.21Å; F405-A409 HydrophobicContact CE2-CB 4.04Å; F405-A409 HydrophobicContact CG-CB 4.21Å; F405-A409 HydrophobicContact CZ-CB 4.11Å; F405-A409 WeakPolarHBondContact O-CA 3.09Å; F405-A409 WeakPolarHBondContact O-CB 3.36Å; F405-A409 PolarHBondContact O-N 2.9Å; A409-N411 VanDerWaalsContact C-N 3.3Å
410	H	92.3	Very high	92	Very high	37 Å²	37	35.6 Å²	35.6	17%	0.171	18%	0.176	C	C	.	.			trans	-87.9	7.3	-178.1	-68.9	-24.8	0	0	0	113.5	V61 Y386 R407 H408 Y412	V61-H410 HydrophobicContact CG1-CB 4.28Å; V61-H410 VanDerWaalsContact CG2-O 3.26Å; V61-H410 WeakPolarHBondContact CG2-O 3.34Å; Y386-H410 HydrophobicContact CD1-CB 3.9Å; Y386-H410 WeakPolarHBondContact CD1-O 3.37Å; Y386-H410 HydrophobicContact CE1-CB 4.22Å; R407-H410 PolarHBondContact O-CE1 2.99Å; H408-H410 PolarHBondContact O-N 2.82Å; H410-Y412 PolarHBondContact O-N 2.77Å
411	N	94.1	Very high	91.1	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	18%	0.184	C	C	.	.			trans	-61.4	124.4	-169.4	-174.1	-17.4	0	0	0	113.7	H47 Y141 D143 Y386 A409 A413 G414	H47-N411 PolarHBondContact CE1-OD1 3.49Å; H47-N411 VanDerWaalsContact CE1-OD1 3.28Å; Y141-N411 PolarHBondContact O-ND2 3.34Å; D143-N411 HydrophobicContact CB-CB 4.32Å; D143-N411 WeakPolarHBondContact OD1-CB 3.33Å; D143-N411 PolarHBondContact OD1-ND2 3.13Å; D143-N411 WeakPolarHBondContact OD2-CB 3.49Å; Y386-N411 WeakPolarHBondContact O-CA 3.43Å; A409-N411 VanDerWaalsContact C-N 3.3Å; N411-A413 VanDerWaalsContact C-N 3.25Å; N411-A413 PolarHBondContact O-N 3.1Å; N411-A413 VanDerWaalsContact OD1-CB 3.31Å; N411-A413 WeakPolarHBondContact OD1-CB 3.32Å; N411-A413 PolarHBondContact OD1-N 2.86Å; N411-G414 PolarHBondContact O-N 3.47Å
412	Y	93.2	Very high	89.7	Confident	24 Å²	24	42.7 Å²	42.7	9%	0.094	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.4	-179.1	87.3	-91.8	0	0	0	113.5	S46 H47 H52 L57 R64 Y386 Y387 H410 G414	S46-Y412 PolarHBondContact O-OH 2.8Å; H47-Y412 WeakPolarHBondContact CA-OH 3.35Å; H47-Y412 AromaticContact CE1-CE1 3.65Å; H47-Y412 AromaticContact ND1-CE1 3.8Å; H47-Y412 PolarHBondContact O-OH 3.16Å; H52-Y412 AromaticContact CD2-CE2 3.43Å; H52-Y412 VanDerWaalsContact CD2-CE2 3.43Å; H52-Y412 WeakPolarHBondContact CD2-CE2 3.08Å; H52-Y412 AromaticContact CD2-CZ 3.55Å; H52-Y412 AromaticContact NE2-CE2 3.16Å; H52-Y412 WeakPolarHBondContact NE2-CE2 3.26Å; H52-Y412 AromaticContact NE2-CZ 3.58Å; H52-Y412 PolarHBondContact NE2-OH 2.91Å; L57-Y412 VanDerWaalsContact CD2-CB 3.5Å; L57-Y412 HydrophobicContact CD2-CD1 4.16Å; L57-Y412 HydrophobicContact CD2-CD2 4.25Å; L57-Y412 HydrophobicContact CD2-CG 3.73Å; R64-Y412 PolarHBondContact NH1-O 3.48Å; Y386-Y412 WeakPolarHBondContact O-CD1 3.2Å; Y386-Y412 PolarHBondContact O-N 3.05Å; Y387-Y412 HydrophobicContact CD1-CD1 4.38Å; Y387-Y412 AromaticContact CD1-CE1 3.72Å; Y387-Y412 HydrophobicContact CD1-CE1 3.72Å; Y387-Y412 HydrophobicContact CE1-CD1 4.48Å; Y387-Y412 AromaticContact CE1-CE1 3.73Å; Y387-Y412 HydrophobicContact CE1-CE1 3.73Å; Y387-Y412 HydrophobicContact CG-CE1 4.33Å; H410-Y412 PolarHBondContact O-N 2.77Å; Y412-G414 PolarHBondContact O-N 3.02Å
413	A	91.7	Very high	88	Confident	18 Å²	18	41.1 Å²	41.1	15%	0.149	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-3.4	171	0	0	0	0	0	113.2	I86 H142 N411	I86-A413 WeakPolarHBondContact CG1-O 3.43Å; H142-A413 PolarHBondContact CE1-O 2.65Å; H142-A413 PolarHBondContact ND1-O 2.87Å; N411-A413 VanDerWaalsContact C-N 3.25Å; N411-A413 PolarHBondContact O-N 3.1Å; N411-A413 VanDerWaalsContact OD1-CB 3.31Å; N411-A413 WeakPolarHBondContact OD1-CB 3.32Å; N411-A413 PolarHBondContact OD1-N 2.86Å
414	G	92	Very high	86.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.			trans	88.5	-177.9	178.1	0	0	0	0	0	114	R84 D143 N411 Y412	R84-G414 CarbonylContact O-C 3.56Å; R84-G414 WeakPolarHBondContact O-CA 3.39Å; D143-G414 PolarHBondContact N-O 2.89Å; N411-G414 PolarHBondContact O-N 3.47Å; Y412-G414 PolarHBondContact O-N 3.02Å
415	C	94.2	Very high	85.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.5	-176.7	72	0	0	0	0	114.2	A83 R84 D143 F405	A83-C415 WeakPolarHBondContact CA-O 3.45Å; R84-C415 PolarHBondContact N-O 2.89Å; R84-C415 PolarHBondContact NE-SG 2.74Å; R84-C415 PolarHBondContact NH2-SG 2.86Å; R84-C415 PolarHBondContact O-N 3.46Å; D143-C415 HydrophobicContact CB-CB 3.57Å; D143-C415 CarbonylContact O-C 3.46Å; D143-C415 VanDerWaalsContact O-CA 3.29Å; D143-C415 WeakPolarHBondContact O-CA 3.14Å; F405-C415 HydrophobicContact CE1-CB 4.08Å; F405-C415 HydrophobicContact CZ-CB 3.98Å
416	V	94	Very high	84.8	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.3	172.8	-175.3	0	0	0	0	109.6	V81 A83 I86 I137 D143 M144 F145	V81-V416 HydrophobicContact CB-CG1 3.59Å; V81-V416 HydrophobicContact CG1-CG1 3.97Å; V81-V416 HydrophobicContact CG2-CG1 3.62Å; A83-V416 HydrophobicContact CB-CG2 4.4Å; I86-V416 HydrophobicContact CD1-CG2 3.59Å; I137-V416 HydrophobicContact CD1-CB 4.33Å; I137-V416 HydrophobicContact CD1-CG1 4.05Å; I137-V416 HydrophobicContact CD1-CG2 4.38Å; I137-V416 HydrophobicContact CG1-CG2 4.28Å; I137-V416 HydrophobicContact CG2-CB 4.18Å; I137-V416 HydrophobicContact CG2-CG2 3.77Å; D143-V416 PolarHBondContact O-N 3Å; M144-V416 CarbonylContact C-O 3.59Å; M144-V416 VanDerWaalsContact CA-O 3.3Å; M144-V416 WeakPolarHBondContact CA-O 3.46Å; F145-V416 PolarHBondContact N-O 3.24Å
417	I	94.4	Very high	84.5	Confident	18 Å²	18	49 Å²	49	9%	0.092	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	111.5	173.3	-60	176.3	0	0	0	107.5	F70 V81 L82 F145 F405 L406	F70-I417 HydrophobicContact CE1-CD1 3.86Å; F70-I417 HydrophobicContact CE1-CG1 4.33Å; F70-I417 HydrophobicContact CZ-CD1 3.94Å; V81-I417 CarbonylContact C-O 3.55Å; V81-I417 VanDerWaalsContact CA-O 3.27Å; V81-I417 WeakPolarHBondContact CA-O 3.26Å; L82-I417 PolarHBondContact N-O 3.08Å; L82-I417 PolarHBondContact O-N 2.89Å; F145-I417 HydrophobicContact CB-CG1 4.34Å; F145-I417 HydrophobicContact CB-CG2 4.5Å; F145-I417 HydrophobicContact CD1-CG2 3.93Å; F405-I417 HydrophobicContact CD1-CD1 3.99Å; F405-I417 HydrophobicContact CD1-CG1 4.02Å; F405-I417 HydrophobicContact CE1-CD1 3.94Å; F405-I417 HydrophobicContact CE1-CG1 3.58Å; L406-I417 HydrophobicContact CD2-CD1 3.81Å
418	A	92.9	Very high	84.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136	172.7	0	0	0	0	0	110.4	V78 V81 F145 Y146	V78-A418 HydrophobicContact CG1-CB 3.91Å; V81-A418 HydrophobicContact CG1-CB 3.94Å; F145-A418 PolarHBondContact O-N 3.31Å; Y146-A418 HydrophobicContact CD2-CB 3.92Å
419	E	85.6	Confident	84.3	Confident	77 Å²	77	39.8 Å²	39.8	36%	0.36	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-60.9	144.7	174.9	-65.7	-174.4	174.7	0	0	110.6	P80 R148	P80-E419 HydrophobicContact CB-CG 4.23Å; P80-E419 HydrophobicContact CG-CB 4.22Å; P80-E419 HydrophobicContact CG-CG 4.26Å; P80-E419 WeakPolarHBondContact CG-OE2 3.07Å; P80-E419 PolarHBondContact O-N 3.16Å; P80-E419 VanDerWaalsContact O-N 3.09Å; R148-E419 WeakPolarHBondContact CD-O 3.29Å; R148-E419 WeakPolarHBondContact CG-O 3.38Å
420	P	82	Confident	84	Confident	64 Å²	64	43.4 Å²	43.4	42%	0.416	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-61.4	150.3	177.2	25.5	-33.4	0	0	0	111.3	A147 Q422	A147-P420 HydrophobicContact CB-CB 4.47Å; P420-Q422 PolarHBondContact O-N 3.01Å
421	L	72.4	Confident	83.8	Confident	92 Å²	92	46.6 Å²	46.6	48%	0.482	27%	0.266	S	S	.	.			trans	-67.5	102.2	174.3	-176.1	70.1	0	0	0	109.2	R148 T150 A423	R148-L421 HydrophobicContact CB-CB 4.41Å; R148-L421 HydrophobicContact CG-CB 4.34Å; R148-L421 VanDerWaalsContact NH2-CD1 3.27Å; T150-L421 HydrophobicContact CG2-CD2 4.41Å; L421-A423 PolarHBondContact O-N 3.43Å; L421-A423 VanDerWaalsContact O-N 3.16Å
422	Q	66.5	Low	83.5	Confident	128 Å²	128	47.1 Å²	47.1	60%	0.598	27%	0.269	S	S	*	.			trans	-58.1	120.4	177.4	-67.3	-174	3.1	0	0	110.2	P420 S424	P420-Q422 PolarHBondContact O-N 3.01Å; Q422-S424 VanDerWaalsContact C-N 3.31Å; Q422-S424 PolarHBondContact O-N 2.93Å
423	A	58.1	Low	83.1	Confident	43 Å²	43	52.1 Å²	52.1	36%	0.355	30%	0.302	S	S	.	.			trans	-74.1	84	178.2	0	0	0	0	0	109.5	L421 G427	L421-A423 PolarHBondContact O-N 3.43Å; L421-A423 VanDerWaalsContact O-N 3.16Å; A423-G427 CarbonylContact O-C 3.43Å; A423-G427 WeakPolarHBondContact O-CA 3.43Å; A423-G427 PolarHBondContact O-N 3.35Å; A423-G427 VanDerWaalsContact O-N 3.07Å
424	S	66	Low	82.8	Confident	71 Å²	71	52 Å²	52	50%	0.497	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	-174.5	-169.6	90	0	0	0	0	113.6	Q422 D426 G427	Q422-S424 VanDerWaalsContact C-N 3.31Å; Q422-S424 PolarHBondContact O-N 2.93Å; S424-D426 VanDerWaalsContact C-N 3.3Å; S424-D426 PolarHBondContact OG-N 3.32Å; S424-G427 PolarHBondContact OG-N 2.79Å; S424-G427 PolarHBondContact OG-O 2.93Å
425	K	72.4	Confident	82.4	Confident	164 Å²	164	60.3 Å²	60.3	71%	0.713	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-20.2	170.4	-68.9	-178.3	178.4	178.9	0	112.3	G598	K425-G598 WeakPolarHBondContact O-CA 3.35Å
426	D	75.6	Confident	82	Confident	81 Å²	81	60.3 Å²	60.3	43%	0.433	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	11	-166.2	-59.8	-80.1	0	0	0	112.7	S424 V597 R601	S424-D426 VanDerWaalsContact C-N 3.3Å; S424-D426 PolarHBondContact OG-N 3.32Å; D426-V597 CarbonylContact C-O 3.59Å; D426-V597 CarbonylContact O-C 3.56Å; D426-V597 VanDerWaalsContact O-C 3.28Å; D426-R601 IonicContact OD1-NH1 3.19Å
427	G	85.3	Confident	81.9	Confident	4 Å²	4	62.8 Å²	62.8	4%	0.041	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	-149.2	-178.2	0	0	0	0	0	112.5	A423 S424 V596	A423-G427 CarbonylContact O-C 3.43Å; A423-G427 WeakPolarHBondContact O-CA 3.43Å; A423-G427 PolarHBondContact O-N 3.35Å; A423-G427 VanDerWaalsContact O-N 3.07Å; S424-G427 PolarHBondContact OG-N 2.79Å; S424-G427 PolarHBondContact OG-O 2.93Å; G427-V596 CarbonylContact C-O 3.52Å; G427-V596 WeakPolarHBondContact CA-O 3.42Å
428	C	88.6	Confident	81.8	Confident	2 Å²	2	62 Å²	62	1%	0.014	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.7	173.3	74	0	0	0	0	113.9	G430 Q431 A556 A560 A595 V596	C428-G430 VanDerWaalsContact C-N 3.3Å; C428-G430 PolarHBondContact O-N 2.88Å; C428-Q431 VanDerWaalsContact O-CB 3.25Å; C428-Q431 WeakPolarHBondContact O-CB 3.39Å; C428-Q431 PolarHBondContact O-N 3.12Å; C428-A556 HydrophobicContact CB-CB 4.3Å; C428-A556 PolarHBondContact SG-O 3.28Å; C428-A556 VanDerWaalsContact SG-O 3.32Å; C428-A560 HydrophobicContact CB-CB 4.28Å; C428-A595 PolarHBondContact N-O 2.98Å; C428-V596 PolarHBondContact N-O 3.1Å; C428-V596 PolarHBondContact SG-O 2.87Å
429	L	88.2	Confident	81.9	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.037	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-54.7	-42.3	-176.3	-68.9	173.7	0	0	0	112.9	Q431 I432 Y559 V596 V597 V615 T617	L429-Q431 PolarHBondContact O-N 2.77Å; L429-I432 HydrophobicContact CD2-CD1 4.18Å; L429-I432 WeakPolarHBondContact O-CB 3.47Å; L429-I432 PolarHBondContact O-N 3.41Å; L429-Y559 HydrophobicContact CD2-CE1 4.3Å; L429-V596 PolarHBondContact N-O 3.42Å; L429-V597 HydrophobicContact CD1-CB 3.93Å; L429-V597 HydrophobicContact CD1-CG1 4.2Å; L429-V615 HydrophobicContact CD1-CG1 3.93Å; L429-V615 HydrophobicContact CD2-CG1 4.27Å; L429-T617 HydrophobicContact CB-CG2 4.15Å
430	G	84.7	Confident	82.4	Confident	78 Å²	78	62.8 Å²	62.8	80%	0.804	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-67.5	3.7	176	0	0	0	0	0	115.4	C428	C428-G430 VanDerWaalsContact C-N 3.3Å; C428-G430 PolarHBondContact O-N 2.88Å
431	Q	87.1	Confident	83	Confident	104 Å²	104	60.7 Å²	60.7	49%	0.486	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-98.2	-4.7	169.9	-55	176.7	-0.9	0	0	112	C428 L429 A560 N564	C428-Q431 VanDerWaalsContact O-CB 3.25Å; C428-Q431 WeakPolarHBondContact O-CB 3.39Å; C428-Q431 PolarHBondContact O-N 3.12Å; L429-Q431 PolarHBondContact O-N 2.77Å; Q431-A560 HydrophobicContact CB-CB 3.84Å; Q431-N564 PolarHBondContact O-ND2 2.9Å
432	I	87.9	Confident	84.1	Confident	14 Å²	14	58.1 Å²	58.1	7%	0.072	31%	0.312	C	S	.	.			trans	-87.5	111.8	177.6	-58.2	173.6	0	0	0	108.5	L429 V434 Q438 Y559 A560 C563	L429-I432 HydrophobicContact CD2-CD1 4.18Å; L429-I432 WeakPolarHBondContact O-CB 3.47Å; L429-I432 PolarHBondContact O-N 3.41Å; I432-V434 WeakPolarHBondContact CG2-O 3.46Å; I432-Q438 VanDerWaalsContact CD1-OE1 3.29Å; I432-Y559 HydrophobicContact CD1-CD1 4.15Å; I432-Y559 HydrophobicContact CD1-CE1 3.89Å; I432-A560 HydrophobicContact CG1-CB 3.98Å; I432-C563 HydrophobicContact CD1-CB 3.91Å; I432-C563 HydrophobicContact CG1-CB 3.96Å; I432-C563 HydrophobicContact CG2-CB 3.94Å
433	V	86.4	Confident	85.5	Confident	130 Å²	130	52.3 Å²	52.3	79%	0.788	29%	0.285	S	S	*	.			trans	-94.5	-2.7	-177.7	-168.5	0	0	0	0	111.4	N564	V433-N564 PolarHBondContact N-OD1 3.45Å
434	V	84.8	Confident	87.1	Confident	16 Å²	16	55.7 Å²	55.7	10%	0.097	30%	0.301	C	S	.	.	S	Bend	trans	-100.9	126.6	179.7	176.1	0	0	0	0	109.2	I432 L436 I567	I432-V434 WeakPolarHBondContact CG2-O 3.46Å; V434-L436 VanDerWaalsContact C-N 3.35Å; V434-L436 HydrophobicContact CG1-CB 4.19Å; V434-L436 WeakPolarHBondContact O-CB 3.49Å; V434-L436 PolarHBondContact O-N 3.3Å; V434-I567 HydrophobicContact CG1-CD1 3.65Å; V434-I567 HydrophobicContact CG1-CG1 3.91Å; V434-I567 HydrophobicContact CG2-CD1 4.4Å; V434-I567 HydrophobicContact CG2-CG1 4.43Å
435	R	84.2	Confident	88.4	Confident	173 Å²	173	52.3 Å²	52.3	65%	0.653	28%	0.277	S	S	*	.			trans	-61.3	95.1	167.6	-65.7	-173.3	-176.5	-154.5	4.1	109.4	E619	R435-E619 IonicContact CZ-OE1 2.84Å; R435-E619 IonicContact CZ-OE2 2.67Å; R435-E619 IonicContact NE-OE1 3.19Å; R435-E619 PolarHBondContact NE-OE1 3.16Å; R435-E619 IonicContact NH2-OE1 2.7Å; R435-E619 PolarHBondContact NH2-OE1 3.11Å; R435-E619 IonicContact NH2-OE2 3.1Å; R435-E619 PolarHBondContact NH2-OE2 2.91Å
436	L	85.8	Confident	89.3	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.			trans	-131.8	111.4	-170.8	-177.8	63.1	0	0	0	109.7	V434 Q438 L547 C563 V566 P579 C581	V434-L436 VanDerWaalsContact C-N 3.35Å; V434-L436 HydrophobicContact CG1-CB 4.19Å; V434-L436 WeakPolarHBondContact O-CB 3.49Å; V434-L436 PolarHBondContact O-N 3.3Å; L436-Q438 HydrophobicContact CG-CG 4.39Å; L436-Q438 WeakPolarHBondContact O-CG 3.5Å; L436-Q438 PolarHBondContact O-N 3.34Å; L436-Q438 PolarHBondContact O-NE2 3.48Å; L436-L547 HydrophobicContact CD2-CD1 4.49Å; L436-C563 HydrophobicContact CD2-CB 3.64Å; L436-V566 HydrophobicContact CD2-CG2 4.45Å; L436-P579 HydrophobicContact CD1-CB 3.8Å; L436-P579 HydrophobicContact CD1-CG 4.2Å; L436-C581 HydrophobicContact CD1-CB 4.27Å; L436-C581 HydrophobicContact CD2-CB 3.85Å; L436-C581 HydrophobicContact CG-CB 3.91Å
437	P	90	Very high	90.1	Very high	53 Å²	53	50.6 Å²	50.6	34%	0.344	27%	0.271	S	S	.	.			trans	-65.4	118.3	173.1	26	-33.5	0	0	0	110.2	P579 C581 L614	P437-P579 VanDerWaalsContact CD-O 3.31Å; P437-P579 WeakPolarHBondContact CD-O 3.43Å; P437-P579 WeakPolarHBondContact CG-O 3.44Å; P437-C581 PolarHBondContact O-N 3.34Å; P437-L614 HydrophobicContact CB-CD1 4.11Å
438	Q	92.9	Very high	90.3	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	99.9	-176.5	-69	149.9	73.6	0	0	109.3	I432 L436 F440 Y559 C581 V615	I432-Q438 VanDerWaalsContact CD1-OE1 3.29Å; L436-Q438 HydrophobicContact CG-CG 4.39Å; L436-Q438 WeakPolarHBondContact O-CG 3.5Å; L436-Q438 PolarHBondContact O-N 3.34Å; L436-Q438 PolarHBondContact O-NE2 3.48Å; Q438-F440 HydrophobicContact CB-CD2 4.48Å; Q438-F440 HydrophobicContact CB-CE2 3.89Å; Q438-Y559 PolarHBondContact OE1-OH 3Å; Q438-C581 CarbonylContact C-O 3.51Å; Q438-C581 WeakPolarHBondContact CA-O 3.47Å; Q438-C581 HydrophobicContact CB-CB 4.46Å; Q438-C581 HydrophobicContact CG-CB 3.88Å; Q438-V615 HydrophobicContact CB-CB 4.22Å; Q438-V615 PolarHBondContact N-O 2.94Å; Q438-V615 PolarHBondContact O-N 3.36Å
439	R	94.4	Very high	90.4	Very high	94 Å²	94	60.9 Å²	60.9	36%	0.355	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	107.7	177.9	-178.9	177.6	62.3	171.5	-1.9	109.8	C581 A582 V583 T612	R439-C581 PolarHBondContact N-O 2.9Å; R439-A582 CarbonylContact O-C 3.55Å; R439-A582 WeakPolarHBondContact O-CA 3.36Å; R439-V583 PolarHBondContact O-N 3.01Å; R439-T612 HydrophobicContact CG-CG2 3.63Å
440	F	96.1	Very high	90.7	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.8	169.7	-66.1	-103.4	0	0	0	109	Q438 L552 Y559 V583 Y585 L593 V596 V597 M605 T612 H613 V615	Q438-F440 HydrophobicContact CB-CD2 4.48Å; Q438-F440 HydrophobicContact CB-CE2 3.89Å; F440-L552 HydrophobicContact CE1-CD1 4.46Å; F440-L552 HydrophobicContact CE1-CD2 4.25Å; F440-Y559 HydrophobicContact CZ-CE1 4.49Å; F440-Y559 AromaticContact CZ-CZ 3.99Å; F440-Y559 WeakPolarHBondContact CZ-OH 3.17Å; F440-V583 WeakPolarHBondContact CA-O 3.43Å; F440-V583 HydrophobicContact CD1-CB 3.66Å; F440-V583 HydrophobicContact CD1-CG1 3.72Å; F440-V583 HydrophobicContact CD1-CG2 4.01Å; F440-V583 HydrophobicContact CE1-CB 3.99Å; F440-V583 HydrophobicContact CE1-CG1 3.93Å; F440-V583 HydrophobicContact CE1-CG2 3.86Å; F440-V583 HydrophobicContact CG-CB 4.16Å; F440-V583 HydrophobicContact CG-CG2 4.47Å; F440-V583 HydrophobicContact CZ-CG2 4.19Å; F440-Y585 HydrophobicContact CB-CD1 4.13Å; F440-Y585 HydrophobicContact CB-CE1 3.91Å; F440-L593 HydrophobicContact CD1-CD1 4.16Å; F440-L593 HydrophobicContact CE1-CD1 4.17Å; F440-V596 HydrophobicContact CZ-CG1 4.4Å; F440-V597 HydrophobicContact CE1-CG1 3.88Å; F440-V597 HydrophobicContact CE2-CG1 4.23Å; F440-V597 HydrophobicContact CZ-CG1 3.58Å; F440-M605 HydrophobicContact CB-CE 3.48Å; F440-M605 VanDerWaalsContact CB-CE 3.48Å; F440-M605 HydrophobicContact CD1-CE 3.84Å; F440-M605 HydrophobicContact CD2-CE 4.22Å; F440-M605 HydrophobicContact CG-CE 3.6Å; F440-T612 CarbonylContact O-C 3.56Å; F440-T612 WeakPolarHBondContact O-CA 3.32Å; F440-H613 PolarHBondContact N-O 3.05Å; F440-H613 PolarHBondContact O-N 3.22Å; F440-V615 HydrophobicContact CD2-CG2 4.03Å; F440-V615 HydrophobicContact CE2-CB 4.2Å; F440-V615 HydrophobicContact CE2-CG2 3.93Å
441	T	95.9	Very high	91.1	Very high	20 Å²	20	61.7 Å²	61.7	12%	0.123	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.2	178.1	-59.6	0	0	0	0	109.4	F458 V583 I584 Y585 V611 T612	T441-F458 HydrophobicContact CG2-CE1 4.04Å; T441-F458 HydrophobicContact CG2-CZ 3.65Å; T441-V583 PolarHBondContact N-O 3.26Å; T441-I584 WeakPolarHBondContact O-CA 3.4Å; T441-Y585 WeakPolarHBondContact O-CD1 3.19Å; T441-Y585 PolarHBondContact O-N 3.3Å; T441-Y585 VanDerWaalsContact O-N 3.1Å; T441-V611 WeakPolarHBondContact CA-O 3.2Å; T441-V611 HydrophobicContact CG2-CG1 4.35Å; T441-T612 PolarHBondContact OG1-OG1 2.95Å
442	R	95.6	Very high	91.4	Very high	38 Å²	38	58.5 Å²	58.5	14%	0.143	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	138	-177.1	-169.1	174.2	58.3	-173	-9.1	110.5	Y585 L606 S608 E609 S610 V611	R442-Y585 CarbonylContact C-O 3.57Å; R442-Y585 VanDerWaalsContact CA-O 3.3Å; R442-Y585 WeakPolarHBondContact CA-O 3Å; R442-Y585 HydrophobicContact CB-CD1 4.42Å; R442-Y585 HydrophobicContact CB-CE1 3.72Å; R442-Y585 HydrophobicContact CB-CE2 4.28Å; R442-Y585 HydrophobicContact CG-CE1 4.39Å; R442-Y585 HydrophobicContact CG-CE2 4.05Å; R442-L606 PolarHBondContact NH1-O 3.15Å; R442-S608 PolarHBondContact NH1-O 3.13Å; R442-S608 PolarHBondContact NH2-O 2.87Å; R442-E609 PolarHBondContact NH2-O 2.9Å; R442-S610 PolarHBondContact NH2-O 2.65Å; R442-S610 VanDerWaalsContact NH2-O 3.11Å; R442-V611 PolarHBondContact N-O 3.43Å; R442-V611 VanDerWaalsContact O-CG1 3.28Å; R442-V611 WeakPolarHBondContact O-CG1 3.36Å
443	F	94.6	Very high	91.8	Very high	7 Å²	7	61.5 Å²	61.5	3%	0.031	32%	0.321	C	S	.	.			trans	-117.9	156.8	161.9	74.6	-80.5	0	0	0	110.3	P445 E451 V454 R455 F458 I584 Y585 S586	F443-P445 HydrophobicContact CD2-CG 4.3Å; F443-P445 HydrophobicContact CE2-CB 4.14Å; F443-P445 HydrophobicContact CE2-CG 3.86Å; F443-P445 VanDerWaalsContact O-CD 3.29Å; F443-P445 WeakPolarHBondContact O-CD 3.47Å; F443-E451 HydrophobicContact CE2-CG 4.11Å; F443-E451 HydrophobicContact CZ-CG 3.94Å; F443-V454 HydrophobicContact CD2-CB 4.32Å; F443-V454 HydrophobicContact CD2-CG1 3.73Å; F443-V454 HydrophobicContact CE2-CB 4.28Å; F443-V454 HydrophobicContact CE2-CG1 4.18Å; F443-R455 HydrophobicContact CE1-CB 4.01Å; F443-R455 HydrophobicContact CE1-CG 3.77Å; F443-R455 HydrophobicContact CE2-CB 3.81Å; F443-R455 HydrophobicContact CE2-CG 4.48Å; F443-R455 HydrophobicContact CZ-CB 3.45Å; F443-R455 VanDerWaalsContact CZ-CB 3.45Å; F443-R455 HydrophobicContact CZ-CG 3.73Å; F443-F458 HydrophobicContact CB-CB 4.31Å; F443-F458 HydrophobicContact CB-CD1 3.95Å; F443-F458 HydrophobicContact CB-CD2 4Å; F443-F458 HydrophobicContact CB-CE1 4.31Å; F443-F458 HydrophobicContact CB-CE2 4.36Å; F443-F458 HydrophobicContact CB-CG 3.79Å; F443-F458 HydrophobicContact CG-CD1 4.48Å; F443-F458 HydrophobicContact CG-CG 4.47Å; F443-I584 HydrophobicContact CD1-CG2 3.47Å; F443-I584 VanDerWaalsContact CD1-CG2 3.47Å; F443-I584 HydrophobicContact CE1-CG2 3.77Å; F443-Y585 WeakPolarHBondContact CD1-O 3.4Å; F443-Y585 PolarHBondContact N-O 3.01Å; F443-S586 VanDerWaalsContact CZ-CB 3.45Å
444	V	93.2	Very high	92.3	Very high	113 Å²	113	56.5 Å²	56.5	69%	0.685	29%	0.29	S	S	*	.			trans	-118.2	91.9	-171	-174.3	0	0	0	0	110.5
445	P	93.1	Very high	92.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.287	C	S	.	.			trans	-82.5	137.4	171.4	32.3	-33.5	0	0	0	111.5	F443 N447 E451 V454 R587 F588	F443-P445 HydrophobicContact CD2-CG 4.3Å; F443-P445 HydrophobicContact CE2-CB 4.14Å; F443-P445 HydrophobicContact CE2-CG 3.86Å; F443-P445 VanDerWaalsContact O-CD 3.29Å; F443-P445 WeakPolarHBondContact O-CD 3.47Å; P445-N447 VanDerWaalsContact C-N 3.34Å; P445-N447 PolarHBondContact O-N 2.78Å; P445-E451 HydrophobicContact CB-CB 4.3Å; P445-E451 HydrophobicContact CB-CG 4.41Å; P445-E451 HydrophobicContact CG-CB 4.45Å; P445-E451 HydrophobicContact CG-CG 4.13Å; P445-V454 HydrophobicContact CB-CB 4.3Å; P445-V454 HydrophobicContact CB-CG1 4.48Å; P445-V454 HydrophobicContact CB-CG2 4.35Å; P445-R587 PolarHBondContact O-NE 3.2Å; P445-R587 PolarHBondContact O-NH2 3Å; P445-F588 HydrophobicContact CB-CE2 4.27Å; P445-F588 HydrophobicContact CG-CD2 3.82Å; P445-F588 HydrophobicContact CG-CE2 3.66Å
446	E	91.9	Very high	93.5	Very high	159 Å²	159	49.4 Å²	49.4	74%	0.743	26%	0.262	S	S	*	.	S	Bend	trans	-64.1	-36.9	-179.6	-65	-169.7	-162.3	0	0	113.1	R587	E446-R587 VanDerWaalsContact C-NH2 3.27Å; E446-R587 PolarHBondContact O-NH2 3.32Å
447	N	92.3	Very high	94	Very high	51 Å²	51	55.4 Å²	55.4	27%	0.273	29%	0.285	S	S	.	.	S	Bend	trans	-148.3	171.4	-179.2	63.1	68.7	0	0	0	111.3	P445 V449 E450 F588	P445-N447 VanDerWaalsContact C-N 3.34Å; P445-N447 PolarHBondContact O-N 2.78Å; N447-V449 VanDerWaalsContact C-N 3.32Å; N447-V449 PolarHBondContact O-N 3.47Å; N447-V449 WeakPolarHBondContact OD1-CA 3.07Å; N447-V449 WeakPolarHBondContact OD1-CB 3.38Å; N447-V449 PolarHBondContact OD1-N 2.74Å; N447-E450 PolarHBondContact ND2-OE1 3.29Å; N447-E450 PolarHBondContact OD1-N 2.73Å; N447-F588 VanDerWaalsContact C-CE2 3.47Å; N447-F588 WeakPolarHBondContact O-CE2 3.27Å
448	T	88.8	Confident	94.3	Very high	95 Å²	95	54.4 Å²	54.4	58%	0.583	28%	0.275	S	S	*	.	S	Bend	trans	-74.5	-16.6	-178.7	46.8	0	0	0	0	114.3	F588	T448-F588 HydrophobicContact CG2-CD1 3.61Å; T448-F588 HydrophobicContact CG2-CD2 3.93Å; T448-F588 HydrophobicContact CG2-CE1 3.54Å; T448-F588 HydrophobicContact CG2-CE2 3.86Å; T448-F588 HydrophobicContact CG2-CG 3.81Å; T448-F588 HydrophobicContact CG2-CZ 3.67Å
449	V	91.3	Very high	94.4	Very high	126 Å²	126	54.4 Å²	54.4	76%	0.764	28%	0.275	S	S	*	.	S	Bend	trans	-77.5	-44.6	-178.5	-174.1	0	0	0	0	110	N447 E451	N447-V449 VanDerWaalsContact C-N 3.32Å; N447-V449 PolarHBondContact O-N 3.47Å; N447-V449 WeakPolarHBondContact OD1-CA 3.07Å; N447-V449 WeakPolarHBondContact OD1-CB 3.38Å; N447-V449 PolarHBondContact OD1-N 2.74Å; V449-E451 VanDerWaalsContact C-N 3.31Å; V449-E451 PolarHBondContact O-N 3.22Å
450	E	92.9	Very high	94.4	Very high	79 Å²	79	51.9 Å²	51.9	37%	0.369	27%	0.269	S	S	.	.	S	Bend	trans	-80.4	-7.9	-178.8	-70.7	169.4	-128.9	0	0	114	N447 S452 D453 V454	N447-E450 PolarHBondContact ND2-OE1 3.29Å; N447-E450 PolarHBondContact OD1-N 2.73Å; E450-S452 VanDerWaalsContact C-N 3.3Å; E450-S452 PolarHBondContact O-N 3.26Å; E450-S452 VanDerWaalsContact O-N 3.17Å; E450-D453 PolarHBondContact O-N 2.9Å; E450-V454 HydrophobicContact CB-CG2 4.2Å; E450-V454 WeakPolarHBondContact O-CG2 3.43Å; E450-V454 PolarHBondContact O-N 3.46Å
451	E	93.4	Very high	94.3	Very high	24 Å²	24	57.5 Å²	57.5	11%	0.112	30%	0.295	C	S	.	.	H	α-helix	trans	-54.5	-41.1	-171.6	-176	-176.9	-168.8	0	0	113.4	F443 P445 V449 R455 S586 F588	F443-E451 HydrophobicContact CE2-CG 4.11Å; F443-E451 HydrophobicContact CZ-CG 3.94Å; P445-E451 HydrophobicContact CB-CB 4.3Å; P445-E451 HydrophobicContact CB-CG 4.41Å; P445-E451 HydrophobicContact CG-CB 4.45Å; P445-E451 HydrophobicContact CG-CG 4.13Å; V449-E451 VanDerWaalsContact C-N 3.31Å; V449-E451 PolarHBondContact O-N 3.22Å; E451-R455 WeakPolarHBondContact O-CB 3.33Å; E451-R455 PolarHBondContact O-N 3.04Å; E451-R455 IonicContact OE1-CZ 3.57Å; E451-R455 IonicContact OE1-NH1 3.35Å; E451-R455 PolarHBondContact OE1-NH1 3.15Å; E451-R455 IonicContact OE1-NH2 3.61Å; E451-R455 PolarHBondContact OE1-NH2 3.46Å; E451-S586 WeakPolarHBondContact OE1-CB 3.33Å; E451-S586 PolarHBondContact OE1-OG 3.28Å; E451-F588 HydrophobicContact CB-CD2 4.38Å; E451-F588 HydrophobicContact CG-CD2 4.28Å
452	S	93.5	Very high	94	Very high	36 Å²	36	60.2 Å²	60.2	25%	0.252	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-38.4	176.8	174.7	0	0	0	0	112	E450 F456 D485 R488	E450-S452 VanDerWaalsContact C-N 3.3Å; E450-S452 PolarHBondContact O-N 3.26Å; E450-S452 VanDerWaalsContact O-N 3.17Å; S452-F456 WeakPolarHBondContact O-CB 3.45Å; S452-F456 PolarHBondContact O-N 2.97Å; S452-D485 PolarHBondContact OG-OD1 2.96Å; S452-R488 PolarHBondContact OG-NH1 2.86Å
453	D	96	Very high	93.9	Very high	78 Å²	78	58.9 Å²	58.9	42%	0.417	31%	0.305	S	S	.	.	H	α-helix	trans	-75.5	-36.8	-179.6	-71.1	-46.5	0	0	0	112.6	E450 R457 R488	E450-D453 PolarHBondContact O-N 2.9Å; D453-R457 WeakPolarHBondContact O-CB 3.41Å; D453-R457 WeakPolarHBondContact O-CG 3.22Å; D453-R457 PolarHBondContact O-N 3.46Å; D453-R457 VanDerWaalsContact O-N 3.08Å; D453-R488 IonicContact OD1-CZ 2.75Å; D453-R488 IonicContact OD1-NH1 3.41Å; D453-R488 PolarHBondContact OD1-NH1 2.92Å; D453-R488 IonicContact OD1-NH2 2.65Å; D453-R488 PolarHBondContact OD1-NH2 3.33Å
454	V	96.7	Very high	93.6	Very high	24 Å²	24	58.9 Å²	58.9	15%	0.145	31%	0.305	C	S	.	.	H	α-helix	trans	-68.5	-46	172.2	-175.5	0	0	0	0	110.4	F443 P445 E450 F456 R457 F458	F443-V454 HydrophobicContact CD2-CB 4.32Å; F443-V454 HydrophobicContact CD2-CG1 3.73Å; F443-V454 HydrophobicContact CE2-CB 4.28Å; F443-V454 HydrophobicContact CE2-CG1 4.18Å; P445-V454 HydrophobicContact CB-CB 4.3Å; P445-V454 HydrophobicContact CB-CG1 4.48Å; P445-V454 HydrophobicContact CB-CG2 4.35Å; E450-V454 HydrophobicContact CB-CG2 4.2Å; E450-V454 WeakPolarHBondContact O-CG2 3.43Å; E450-V454 PolarHBondContact O-N 3.46Å; V454-F456 VanDerWaalsContact C-N 3.32Å; V454-F456 PolarHBondContact O-N 3.04Å; V454-R457 PolarHBondContact O-N 3.26Å; V454-F458 VanDerWaalsContact O-CB 3.24Å; V454-F458 WeakPolarHBondContact O-CB 2.9Å; V454-F458 PolarHBondContact O-N 3.15Å
455	R	97	Very high	93.3	Very high	8 Å²	8	55.3 Å²	55.3	3%	0.03	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-42.3	176.5	-169.5	-175.3	-89.6	106.5	1.8	111.4	F443 E451 F459 Y550 I584 D589	F443-R455 HydrophobicContact CE1-CB 4.01Å; F443-R455 HydrophobicContact CE1-CG 3.77Å; F443-R455 HydrophobicContact CE2-CB 3.81Å; F443-R455 HydrophobicContact CE2-CG 4.48Å; F443-R455 HydrophobicContact CZ-CB 3.45Å; F443-R455 VanDerWaalsContact CZ-CB 3.45Å; F443-R455 HydrophobicContact CZ-CG 3.73Å; E451-R455 WeakPolarHBondContact O-CB 3.33Å; E451-R455 PolarHBondContact O-N 3.04Å; E451-R455 IonicContact OE1-CZ 3.57Å; E451-R455 IonicContact OE1-NH1 3.35Å; E451-R455 PolarHBondContact OE1-NH1 3.15Å; E451-R455 IonicContact OE1-NH2 3.61Å; E451-R455 PolarHBondContact OE1-NH2 3.46Å; R455-F459 VanDerWaalsContact O-CB 3.26Å; R455-F459 WeakPolarHBondContact O-CB 3.46Å; R455-F459 PolarHBondContact O-N 2.88Å; R455-Y550 VanDerWaalsContact CD-O 3.28Å; R455-Y550 WeakPolarHBondContact CD-O 3.17Å; R455-Y550 HydrophobicContact CG-CD2 4.45Å; R455-Y550 HydrophobicContact CG-CE1 4.01Å; R455-Y550 HydrophobicContact CG-CE2 3.87Å; R455-Y550 PolarHBondContact NE-O 3.03Å; R455-I584 HydrophobicContact CG-CG2 4.22Å; R455-D589 IonicContact CZ-OD2 2.71Å; R455-D589 VanDerWaalsContact NH2-CG 3.28Å; R455-D589 IonicContact NH2-OD1 3.97Å; R455-D589 PolarHBondContact NH2-OD1 2.84Å; R455-D589 IonicContact NH2-OD2 3.43Å; R455-D589 PolarHBondContact NH2-OD2 3.34Å
456	F	97.1	Very high	92.9	Very high	32 Å²	32	59.4 Å²	59.4	14%	0.14	30%	0.303	C	S	.	.	H	α-helix	trans	-65.1	-49.1	179.6	-176.7	-106.8	0	0	0	111.8	S452 V454 F459 L460 R488 I489 H492 Y550	S452-F456 WeakPolarHBondContact O-CB 3.45Å; S452-F456 PolarHBondContact O-N 2.97Å; V454-F456 VanDerWaalsContact C-N 3.32Å; V454-F456 PolarHBondContact O-N 3.04Å; F456-F459 PolarHBondContact O-N 2.95Å; F456-L460 HydrophobicContact CD1-CD1 4.28Å; F456-L460 HydrophobicContact CE1-CD1 3.64Å; F456-L460 HydrophobicContact CE1-CG 4.36Å; F456-L460 HydrophobicContact CE2-CD1 4.35Å; F456-L460 HydrophobicContact CE2-CD2 4.47Å; F456-L460 HydrophobicContact CE2-CG 4.42Å; F456-L460 HydrophobicContact CZ-CD1 3.68Å; F456-L460 HydrophobicContact CZ-CG 4.23Å; F456-L460 WeakPolarHBondContact O-CG 3.42Å; F456-L460 PolarHBondContact O-N 2.79Å; F456-L460 VanDerWaalsContact O-N 3.09Å; F456-R488 VanDerWaalsContact CD1-NH2 3.29Å; F456-R488 HydrophobicContact CD2-CB 3.87Å; F456-R488 HydrophobicContact CE2-CB 3.49Å; F456-R488 VanDerWaalsContact CE2-CB 3.49Å; F456-R488 HydrophobicContact CZ-CB 3.97Å; F456-I489 HydrophobicContact CD2-CG1 4.27Å; F456-I489 HydrophobicContact CE2-CG1 4.09Å; F456-H492 HydrophobicContact CZ-CB 4.37Å; F456-Y550 WeakPolarHBondContact CA-OH 3.44Å; F456-Y550 PolarHBondContact N-OH 3.09Å
457	R	96.8	Very high	92.5	Very high	127 Å²	127	52.7 Å²	52.7	48%	0.479	27%	0.271	S	S	.	.	H	α-helix	trans	-57.7	-52	173.9	-77.8	-173.3	-68.9	141.7	-10.4	111.7	D453 V454 F459 L460 E461	D453-R457 WeakPolarHBondContact O-CB 3.41Å; D453-R457 WeakPolarHBondContact O-CG 3.22Å; D453-R457 PolarHBondContact O-N 3.46Å; D453-R457 VanDerWaalsContact O-N 3.08Å; V454-R457 PolarHBondContact O-N 3.26Å; R457-F459 VanDerWaalsContact C-N 3.31Å; R457-F459 PolarHBondContact O-N 2.78Å; R457-L460 PolarHBondContact O-N 2.83Å; R457-E461 WeakPolarHBondContact CB-OE1 3.23Å; R457-E461 WeakPolarHBondContact O-CB 3.19Å; R457-E461 WeakPolarHBondContact O-CG 3.44Å; R457-E461 PolarHBondContact O-N 2.91Å
458	F	96.2	Very high	91.5	Very high	32 Å²	32	54.4 Å²	54.4	14%	0.14	28%	0.283	C	S	.	.	H	α-helix	trans	-55.6	-44.3	179.2	-177	-97.1	0	0	0	112.5	T441 F443 V454 N462 V463 I584	T441-F458 HydrophobicContact CG2-CE1 4.04Å; T441-F458 HydrophobicContact CG2-CZ 3.65Å; F443-F458 HydrophobicContact CB-CB 4.31Å; F443-F458 HydrophobicContact CB-CD1 3.95Å; F443-F458 HydrophobicContact CB-CD2 4Å; F443-F458 HydrophobicContact CB-CE1 4.31Å; F443-F458 HydrophobicContact CB-CE2 4.36Å; F443-F458 HydrophobicContact CB-CG 3.79Å; F443-F458 HydrophobicContact CG-CD1 4.48Å; F443-F458 HydrophobicContact CG-CG 4.47Å; V454-F458 VanDerWaalsContact O-CB 3.24Å; V454-F458 WeakPolarHBondContact O-CB 2.9Å; V454-F458 PolarHBondContact O-N 3.15Å; F458-N462 HydrophobicContact CD2-CB 4.08Å; F458-N462 WeakPolarHBondContact CD2-ND2 3.15Å; F458-N462 HydrophobicContact CE1-CB 4.38Å; F458-N462 HydrophobicContact CE2-CB 3.74Å; F458-N462 HydrophobicContact CZ-CB 3.9Å; F458-N462 WeakPolarHBondContact O-CB 3.29Å; F458-N462 PolarHBondContact O-N 2.96Å; F458-N462 PolarHBondContact O-ND2 2.85Å; F458-V463 HydrophobicContact CD1-CG2 4.33Å; F458-V463 HydrophobicContact CE1-CG2 3.85Å; F458-I584 HydrophobicContact CD1-CD1 4.33Å; F458-I584 HydrophobicContact CD1-CG2 3.9Å; F458-I584 HydrophobicContact CE1-CG1 4.45Å; F458-I584 HydrophobicContact CE1-CG2 4.15Å
459	F	95.9	Very high	90.1	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.289	C	S	.	.	I	π-helix	trans	-60.2	-45.4	175.5	169.5	-100.2	0	0	0	112.5	R455 F456 R457 V463 L464 L478 I489 L548 Y550 I584	R455-F459 VanDerWaalsContact O-CB 3.26Å; R455-F459 WeakPolarHBondContact O-CB 3.46Å; R455-F459 PolarHBondContact O-N 2.88Å; F456-F459 PolarHBondContact O-N 2.95Å; R457-F459 VanDerWaalsContact C-N 3.31Å; R457-F459 PolarHBondContact O-N 2.78Å; F459-V463 HydrophobicContact CD2-CB 4.47Å; F459-V463 PolarHBondContact O-N 2.96Å; F459-L464 HydrophobicContact CE1-CB 4.32Å; F459-L464 HydrophobicContact CE1-CD1 4.4Å; F459-L464 HydrophobicContact CE1-CD2 4.14Å; F459-L464 HydrophobicContact CZ-CB 4.33Å; F459-L464 HydrophobicContact CZ-CD1 4.01Å; F459-L464 WeakPolarHBondContact O-CB 3.34Å; F459-L464 PolarHBondContact O-N 3.27Å; F459-L478 HydrophobicContact CE2-CD1 4.06Å; F459-L478 HydrophobicContact CE2-CD2 4.3Å; F459-L478 HydrophobicContact CZ-CD1 4.31Å; F459-L478 HydrophobicContact CZ-CD2 3.75Å; F459-I489 HydrophobicContact CD1-CG1 4.33Å; F459-I489 HydrophobicContact CE1-CD1 4.36Å; F459-I489 HydrophobicContact CE1-CG1 4.01Å; F459-I489 HydrophobicContact CE1-CG2 4.11Å; F459-I489 HydrophobicContact CZ-CG2 4.37Å; F459-L548 HydrophobicContact CE2-CD2 3.84Å; F459-L548 HydrophobicContact CE2-CG 4.43Å; F459-Y550 HydrophobicContact CB-CD2 3.94Å; F459-Y550 HydrophobicContact CB-CE2 3.75Å; F459-Y550 HydrophobicContact CD1-CD2 4.25Å; F459-Y550 HydrophobicContact CD1-CE2 4.24Å; F459-Y550 AromaticContact CD2-CD2 3.81Å; F459-Y550 HydrophobicContact CD2-CD2 3.81Å; F459-Y550 HydrophobicContact CD2-CE2 4.44Å; F459-Y550 HydrophobicContact CE2-CD2 4.38Å; F459-Y550 AromaticContact CG-CD2 3.73Å; F459-Y550 HydrophobicContact CG-CD2 3.73Å; F459-Y550 AromaticContact CG-CE2 3.9Å; F459-Y550 HydrophobicContact CG-CE2 3.9Å; F459-I584 HydrophobicContact CB-CD1 3.88Å; F459-I584 HydrophobicContact CD2-CD1 3.7Å; F459-I584 HydrophobicContact CG-CD1 4.29Å
460	L	94	Very high	88.7	Confident	40 Å²	40	54.8 Å²	54.8	21%	0.209	27%	0.272	C	S	.	.	I	π-helix	trans	-69.3	-38.9	179.3	-65.5	-167.3	0	0	0	113.4	F456 R457 L464 P465 H492	F456-L460 HydrophobicContact CD1-CD1 4.28Å; F456-L460 HydrophobicContact CE1-CD1 3.64Å; F456-L460 HydrophobicContact CE1-CG 4.36Å; F456-L460 HydrophobicContact CE2-CD1 4.35Å; F456-L460 HydrophobicContact CE2-CD2 4.47Å; F456-L460 HydrophobicContact CE2-CG 4.42Å; F456-L460 HydrophobicContact CZ-CD1 3.68Å; F456-L460 HydrophobicContact CZ-CG 4.23Å; F456-L460 WeakPolarHBondContact O-CG 3.42Å; F456-L460 PolarHBondContact O-N 2.79Å; F456-L460 VanDerWaalsContact O-N 3.09Å; R457-L460 PolarHBondContact O-N 2.83Å; L460-L464 HydrophobicContact CD2-CD2 3.7Å; L460-P465 VanDerWaalsContact O-CD 3.32Å; L460-P465 WeakPolarHBondContact O-CD 3.41Å; L460-H492 WeakPolarHBondContact CD2-CD2 3.37Å; L460-H492 WeakPolarHBondContact CD2-NE2 3.26Å
461	E	93.2	Very high	87.1	Confident	119 Å²	119	56.4 Å²	56.4	56%	0.556	29%	0.292	S	S	*	.	I	π-helix	trans	-84.7	-39.6	-172.4	-68.8	157.7	-165.5	0	0	112.5	R457	R457-E461 WeakPolarHBondContact CB-OE1 3.23Å; R457-E461 WeakPolarHBondContact O-CB 3.19Å; R457-E461 WeakPolarHBondContact O-CG 3.44Å; R457-E461 PolarHBondContact O-N 2.91Å
462	N	91.6	Very high	85.6	Confident	77 Å²	77	62 Å²	62	41%	0.412	32%	0.319	S	S	.	.	I	π-helix	trans	-111.9	-19.2	-166.8	-62.4	-100.1	0	0	0	113.7	F458 H466	F458-N462 HydrophobicContact CD2-CB 4.08Å; F458-N462 WeakPolarHBondContact CD2-ND2 3.15Å; F458-N462 HydrophobicContact CE1-CB 4.38Å; F458-N462 HydrophobicContact CE2-CB 3.74Å; F458-N462 HydrophobicContact CZ-CB 3.9Å; F458-N462 WeakPolarHBondContact O-CB 3.29Å; F458-N462 PolarHBondContact O-N 2.96Å; F458-N462 PolarHBondContact O-ND2 2.85Å; N462-H466 PolarHBondContact O-CE1 3.31Å; N462-H466 PolarHBondContact O-ND1 2.9Å; N462-H466 VanDerWaalsContact O-ND1 3.07Å
463	V	91.9	Very high	84.4	Confident	10 Å²	10	61.7 Å²	61.7	6%	0.061	31%	0.314	C	S	.	.	I	π-helix	trans	-120.5	-52.6	-169.7	-173.7	0	0	0	0	112.4	F458 F459 P465 H466 Y467 L548 I584	F458-V463 HydrophobicContact CD1-CG2 4.33Å; F458-V463 HydrophobicContact CE1-CG2 3.85Å; F459-V463 HydrophobicContact CD2-CB 4.47Å; F459-V463 PolarHBondContact O-N 2.96Å; V463-P465 VanDerWaalsContact C-CD 3.43Å; V463-H466 PolarHBondContact O-N 3.41Å; V463-Y467 HydrophobicContact CG1-CE2 4.1Å; V463-Y467 WeakPolarHBondContact O-CD2 3.38Å; V463-L548 HydrophobicContact CG1-CD1 3.71Å; V463-L548 HydrophobicContact CG1-CD2 4.35Å; V463-I584 HydrophobicContact CB-CD1 4.03Å; V463-I584 HydrophobicContact CG1-CD1 4.17Å; V463-I584 HydrophobicContact CG2-CD1 3.69Å; V463-I584 HydrophobicContact CG2-CG1 4.06Å
464	L	89.7	Confident	83.5	Confident	6 Å²	6	60.1 Å²	60.1	3%	0.031	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-39.5	-178	-173.6	62.3	0	0	0	114.7	F459 L460 H466 Y467 T468 L493 W498	F459-L464 HydrophobicContact CE1-CB 4.32Å; F459-L464 HydrophobicContact CE1-CD1 4.4Å; F459-L464 HydrophobicContact CE1-CD2 4.14Å; F459-L464 HydrophobicContact CZ-CB 4.33Å; F459-L464 HydrophobicContact CZ-CD1 4.01Å; F459-L464 WeakPolarHBondContact O-CB 3.34Å; F459-L464 PolarHBondContact O-N 3.27Å; L460-L464 HydrophobicContact CD2-CD2 3.7Å; L464-H466 VanDerWaalsContact C-N 3.29Å; L464-H466 PolarHBondContact O-N 3.4Å; L464-Y467 WeakPolarHBondContact O-CB 3.4Å; L464-Y467 PolarHBondContact O-N 3.19Å; L464-T468 PolarHBondContact O-N 2.97Å; L464-T468 PolarHBondContact O-OG1 2.89Å; L464-L493 HydrophobicContact CD1-CD2 4.16Å; L464-L493 HydrophobicContact CD2-CD2 4.16Å; L464-W498 HydrophobicContact CD1-CH2 3.41Å; L464-W498 VanDerWaalsContact CD1-CH2 3.41Å; L464-W498 HydrophobicContact CD1-CZ2 3.68Å; L464-W498 HydrophobicContact CD1-CZ3 3.95Å; L464-W498 HydrophobicContact CD2-CH2 4.5Å; L464-W498 HydrophobicContact CD2-CZ2 3.93Å; L464-W498 HydrophobicContact CG-CH2 3.72Å; L464-W498 HydrophobicContact CG-CZ2 3.56Å
465	P	86.7	Confident	83.1	Confident	39 Å²	39	60 Å²	60	25%	0.253	31%	0.307	S	S	.	.	H	α-helix	trans	-59.2	-37.1	-177.8	-26.7	36.9	0	0	0	113.8	L460 V463 Y467 T468 E469	L460-P465 VanDerWaalsContact O-CD 3.32Å; L460-P465 WeakPolarHBondContact O-CD 3.41Å; V463-P465 VanDerWaalsContact C-CD 3.43Å; P465-Y467 PolarHBondContact O-N 3Å; P465-Y467 VanDerWaalsContact O-N 3.09Å; P465-T468 WeakPolarHBondContact O-CA 3.49Å; P465-T468 WeakPolarHBondContact O-CB 3.4Å; P465-T468 PolarHBondContact O-N 2.86Å; P465-T468 PolarHBondContact O-OG1 2.99Å; P465-E469 PolarHBondContact O-N 3.42Å; P465-E469 VanDerWaalsContact O-N 3.16Å
466	H	83.9	Confident	82.9	Confident	86 Å²	86	59.7 Å²	59.7	40%	0.398	31%	0.306	S	S	.	.	H	α-helix	trans	-58.8	-23.5	175.1	-62.6	97.5	0	0	0	113.4	N462 V463 L464	N462-H466 PolarHBondContact O-CE1 3.31Å; N462-H466 PolarHBondContact O-ND1 2.9Å; N462-H466 VanDerWaalsContact O-ND1 3.07Å; V463-H466 PolarHBondContact O-N 3.41Å; L464-H466 VanDerWaalsContact C-N 3.29Å; L464-H466 PolarHBondContact O-N 3.4Å
467	Y	83.6	Confident	82.8	Confident	17 Å²	17	58.4 Å²	58.4	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-93.3	-8.5	176.4	-66.4	-94.9	0	0	0	113.1	V463 L464 P465 M473 T476 N546 L548 A582	V463-Y467 HydrophobicContact CG1-CE2 4.1Å; V463-Y467 WeakPolarHBondContact O-CD2 3.38Å; L464-Y467 WeakPolarHBondContact O-CB 3.4Å; L464-Y467 PolarHBondContact O-N 3.19Å; P465-Y467 PolarHBondContact O-N 3Å; P465-Y467 VanDerWaalsContact O-N 3.09Å; Y467-M473 HydrophobicContact CD1-CB 3.75Å; Y467-M473 HydrophobicContact CD1-CG 4.13Å; Y467-M473 HydrophobicContact CD1-SD 4.13Å; Y467-M473 HydrophobicContact CE1-CB 4.38Å; Y467-M473 HydrophobicContact CE1-CG 4.39Å; Y467-M473 HydrophobicContact CE1-SD 3.81Å; Y467-M473 HydrophobicContact CG-CB 4.3Å; Y467-T476 HydrophobicContact CD1-CG2 3.82Å; Y467-T476 WeakPolarHBondContact CD1-OG1 3.21Å; Y467-T476 HydrophobicContact CE1-CG2 3.85Å; Y467-N546 HydrophobicContact CE1-CB 4.4Å; Y467-L548 HydrophobicContact CD2-CD2 3.95Å; Y467-L548 HydrophobicContact CE1-CD2 4.42Å; Y467-L548 HydrophobicContact CE2-CD1 4.17Å; Y467-L548 HydrophobicContact CE2-CD2 3.72Å; Y467-L548 HydrophobicContact CE2-CG 4.47Å; Y467-L548 HydrophobicContact CG-CD2 4.42Å; Y467-A582 WeakPolarHBondContact OH-CB 3.49Å
468	T	72.3	Confident	82.8	Confident	87 Å²	87	52.3 Å²	52.3	53%	0.534	28%	0.277	S	S	.	.	H	α-helix	trans	-84.9	-46.2	170.6	-30.9	0	0	0	0	111.3	L464 P465 W498	L464-T468 PolarHBondContact O-N 2.97Å; L464-T468 PolarHBondContact O-OG1 2.89Å; P465-T468 WeakPolarHBondContact O-CA 3.49Å; P465-T468 WeakPolarHBondContact O-CB 3.4Å; P465-T468 PolarHBondContact O-N 2.86Å; P465-T468 PolarHBondContact O-OG1 2.99Å; T468-W498 HydrophobicContact CG2-CH2 4.17Å; T468-W498 HydrophobicContact CG2-CZ2 4.08Å; T468-W498 WeakPolarHBondContact OG1-CH2 3.42Å; T468-W498 WeakPolarHBondContact OG1-CZ2 3.06Å
469	E	59.6	Low	82.9	Confident	151 Å²	151	50.9 Å²	50.9	71%	0.706	27%	0.271	S	S	*	.	H	α-helix	trans	-83	-25.2	-163.8	-68.2	165.3	-161.4	0	0	113.7	P465	P465-E469 PolarHBondContact O-N 3.42Å; P465-E469 VanDerWaalsContact O-N 3.16Å
470	L	60.6	Low	82.9	Confident	78 Å²	78	50.9 Å²	50.9	41%	0.408	27%	0.271	S	S	.	.			trans	-103.9	114.1	-173.3	-63.8	176	0	0	0	111.4	Q472 M473	L470-Q472 PolarHBondContact O-N 3.2Å; L470-M473 HydrophobicContact CB-CB 4.22Å; L470-M473 HydrophobicContact CB-CG 3.72Å; L470-M473 HydrophobicContact CD1-CE 4.17Å; L470-M473 HydrophobicContact CD1-CG 4.08Å; L470-M473 WeakPolarHBondContact O-CA 3.48Å; L470-M473 WeakPolarHBondContact O-CB 3.29Å; L470-M473 PolarHBondContact O-N 2.92Å
471	S	60.1	Low	83	Confident	113 Å²	113	49.8 Å²	49.8	79%	0.79	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-55.4	-27.2	172.4	-52.6	0	0	0	0	113.4	M473 S474	S471-M473 PolarHBondContact O-N 3.42Å; S471-S474 WeakPolarHBondContact O-CB 3.31Å; S471-S474 PolarHBondContact O-N 3.36Å; S471-S474 PolarHBondContact O-OG 3.11Å
472	Q	61.8	Low	83.1	Confident	142 Å²	142	45.6 Å²	45.6	66%	0.664	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-66.2	-20.4	174	-65.5	176.4	-10.5	0	0	113.5	L470 S474 N546	L470-Q472 PolarHBondContact O-N 3.2Å; Q472-S474 VanDerWaalsContact C-N 3.29Å; Q472-N546 PolarHBondContact O-ND2 3.17Å
473	M	67.9	Low	83.2	Confident	30 Å²	30	44.7 Å²	44.7	15%	0.148	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-90.2	11.2	178	-62.7	-61	157.5	0	0	113.3	Y467 L470 S471 T476 T580	Y467-M473 HydrophobicContact CD1-CB 3.75Å; Y467-M473 HydrophobicContact CD1-CG 4.13Å; Y467-M473 HydrophobicContact CD1-SD 4.13Å; Y467-M473 HydrophobicContact CE1-CB 4.38Å; Y467-M473 HydrophobicContact CE1-CG 4.39Å; Y467-M473 HydrophobicContact CE1-SD 3.81Å; Y467-M473 HydrophobicContact CG-CB 4.3Å; L470-M473 HydrophobicContact CB-CB 4.22Å; L470-M473 HydrophobicContact CB-CG 3.72Å; L470-M473 HydrophobicContact CD1-CE 4.17Å; L470-M473 HydrophobicContact CD1-CG 4.08Å; L470-M473 WeakPolarHBondContact O-CA 3.48Å; L470-M473 WeakPolarHBondContact O-CB 3.29Å; L470-M473 PolarHBondContact O-N 2.92Å; S471-M473 PolarHBondContact O-N 3.42Å; M473-T476 PolarHBondContact O-OG1 2.85Å; M473-T580 HydrophobicContact CE-CG2 4.23Å
474	S	77.2	Confident	83.3	Confident	44 Å²	44	51 Å²	51	31%	0.308	27%	0.268	S	S	.	.			trans	-57.2	163.4	160.6	55.7	0	0	0	0	111.7	S471 Q472 T476 N546	S471-S474 WeakPolarHBondContact O-CB 3.31Å; S471-S474 PolarHBondContact O-N 3.36Å; S471-S474 PolarHBondContact O-OG 3.11Å; Q472-S474 VanDerWaalsContact C-N 3.29Å; S474-T476 VanDerWaalsContact C-N 3.32Å; S474-T476 PolarHBondContact O-N 3.02Å; S474-N546 PolarHBondContact O-ND2 3.43Å
475	H	88.5	Confident	83.6	Confident	23 Å²	23	51.2 Å²	51.2	11%	0.106	27%	0.269	C	S	.	.	S	Bend	trans	55.9	40.4	-178.5	-70.8	-85.2	0	0	0	114	F519 G522 S525 G543 A544 H545 N546	H475-F519 PolarHBondContact CE1-O 3.01Å; H475-F519 PolarHBondContact ND1-O 3.47Å; H475-F519 VanDerWaalsContact ND1-O 3.11Å; H475-G522 WeakPolarHBondContact CE1-CA 3.31Å; H475-G522 PolarHBondContact CE1-N 3.22Å; H475-S525 CarbonylContact C-O 3.52Å; H475-S525 WeakPolarHBondContact CA-O 3.11Å; H475-S525 PolarHBondContact N-O 2.89Å; H475-G543 WeakPolarHBondContact CB-O 3.4Å; H475-G543 PolarHBondContact ND1-O 2.78Å; H475-A544 CarbonylContact O-C 3.56Å; H475-A544 WeakPolarHBondContact O-CA 3.45Å; H475-H545 HydrophobicContact CB-CB 3.67Å; H475-H545 AromaticContact CD2-CE1 3.56Å; H475-H545 AromaticContact CD2-ND1 3.63Å; H475-H545 AromaticContact CG-CE1 3.82Å; H475-H545 AromaticContact CG-CG 3.99Å; H475-H545 AromaticContact CG-ND1 3.75Å; H475-H545 PolarHBondContact O-N 3.31Å; H475-N546 PolarHBondContact O-N 3.5Å
476	T	92.3	Very high	84.1	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.7	178	-66.7	0	0	0	0	112.1	Y467 M473 S474 F519 S525 L526 L527 N546 L548	Y467-T476 HydrophobicContact CD1-CG2 3.82Å; Y467-T476 WeakPolarHBondContact CD1-OG1 3.21Å; Y467-T476 HydrophobicContact CE1-CG2 3.85Å; M473-T476 PolarHBondContact O-OG1 2.85Å; S474-T476 VanDerWaalsContact C-N 3.32Å; S474-T476 PolarHBondContact O-N 3.02Å; T476-F519 VanDerWaalsContact O-CE2 3.27Å; T476-F519 WeakPolarHBondContact O-CE2 3.39Å; T476-S525 PolarHBondContact N-O 3.32Å; T476-L526 HydrophobicContact CG2-CD1 3.68Å; T476-L526 CarbonylContact O-C 3.53Å; T476-L526 WeakPolarHBondContact O-CA 3.22Å; T476-L527 PolarHBondContact O-N 3.16Å; T476-N546 CarbonylContact C-O 3.56Å; T476-N546 WeakPolarHBondContact CA-O 3.36Å; T476-N546 HydrophobicContact CG2-CB 4.48Å; T476-N546 WeakPolarHBondContact OG1-CB 3.27Å; T476-L548 HydrophobicContact CG2-CB 4.05Å
477	L	95.1	Very high	84.8	Confident	4 Å²	4	47 Å²	47	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	111.5	168.4	179.7	65.5	0	0	0	109.4	F519 L527 M529 M541 A544 N546 L547 L548 L562	L477-F519 HydrophobicContact CB-CZ 4.32Å; L477-L527 HydrophobicContact CD1-CB 4.12Å; L477-L527 HydrophobicContact CD1-CD2 4Å; L477-L527 HydrophobicContact CD1-CG 3.93Å; L477-M529 HydrophobicContact CD1-CB 4.27Å; L477-M529 HydrophobicContact CD1-CE 4.32Å; L477-M529 HydrophobicContact CD2-CE 4.24Å; L477-M541 HydrophobicContact CD2-CB 4.04Å; L477-M541 HydrophobicContact CD2-CG 4.3Å; L477-A544 HydrophobicContact CB-CB 3.98Å; L477-N546 PolarHBondContact N-O 2.94Å; L477-L547 HydrophobicContact CB-CD2 3.9Å; L477-L547 HydrophobicContact CD2-CD2 3.98Å; L477-L547 HydrophobicContact CG-CD2 4.39Å; L477-L548 PolarHBondContact O-N 3.42Å; L477-L562 HydrophobicContact CD2-CD2 4.02Å
478	L	96.5	Very high	85.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	109	179.4	173.1	52	0	0	0	110.4	F459 V480 I489 L526 L527 L528 M529 L548	F459-L478 HydrophobicContact CE2-CD1 4.06Å; F459-L478 HydrophobicContact CE2-CD2 4.3Å; F459-L478 HydrophobicContact CZ-CD1 4.31Å; F459-L478 HydrophobicContact CZ-CD2 3.75Å; L478-V480 HydrophobicContact CD1-CG2 4.32Å; L478-V480 HydrophobicContact CG-CG2 4.26Å; L478-I489 HydrophobicContact CD2-CG2 3.9Å; L478-L526 HydrophobicContact CB-CD1 3.85Å; L478-L526 HydrophobicContact CD2-CD1 4.42Å; L478-L527 PolarHBondContact N-O 2.91Å; L478-L528 HydrophobicContact CB-CD1 4.3Å; L478-L528 HydrophobicContact CD2-CD1 3.83Å; L478-L528 HydrophobicContact CG-CD1 3.68Å; L478-L528 WeakPolarHBondContact O-CA 3.34Å; L478-M529 PolarHBondContact O-N 2.83Å; L478-L548 CarbonylContact C-O 3.53Å; L478-L548 WeakPolarHBondContact CA-O 3.28Å; L478-L548 HydrophobicContact CD1-CB 4.18Å; L478-L548 HydrophobicContact CD1-CD2 4.06Å; L478-L548 HydrophobicContact CD1-CG 3.84Å; L478-L548 WeakPolarHBondContact CD1-O 3.32Å
479	Y	97.7	Very high	86.6	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.2	-178.2	-172.8	-88.6	0	0	0	111.4	P481 M529 E531 Y534 L548 F549 Y550 P553 L562	Y479-P481 HydrophobicContact CD1-CG 4.39Å; Y479-P481 HydrophobicContact CE1-CG 4.04Å; Y479-M529 HydrophobicContact CD2-CE 3.78Å; Y479-M529 HydrophobicContact CE2-CE 4.16Å; Y479-E531 HydrophobicContact CE1-CB 4.13Å; Y479-E531 VanDerWaalsContact OH-CB 3.28Å; Y479-E531 WeakPolarHBondContact OH-CB 3.27Å; Y479-E531 WeakPolarHBondContact OH-CG 3.37Å; Y479-E531 PolarHBondContact OH-OE1 2.82Å; Y479-Y534 HydrophobicContact CE2-CD1 4.25Å; Y479-L548 PolarHBondContact N-O 3.09Å; Y479-F549 AromaticContact CD1-CD1 3.6Å; Y479-F549 HydrophobicContact CD1-CD1 3.6Å; Y479-F549 AromaticContact CD1-CE1 3.98Å; Y479-F549 HydrophobicContact CD1-CE1 3.98Å; Y479-F549 HydrophobicContact CD2-CE1 4.41Å; Y479-F549 HydrophobicContact CE1-CD1 4.37Å; Y479-F549 AromaticContact CG-CD1 3.78Å; Y479-F549 HydrophobicContact CG-CD1 3.78Å; Y479-F549 AromaticContact CG-CE1 3.89Å; Y479-F549 HydrophobicContact CG-CE1 3.89Å; Y479-Y550 PolarHBondContact O-N 3.19Å; Y479-P553 HydrophobicContact CD1-CG 4.31Å; Y479-P553 HydrophobicContact CE1-CB 3.94Å; Y479-P553 HydrophobicContact CE1-CG 3.65Å; Y479-L562 HydrophobicContact CD2-CD1 3.47Å; Y479-L562 VanDerWaalsContact CD2-CD1 3.47Å; Y479-L562 HydrophobicContact CE2-CD1 3.61Å; Y479-L562 HydrophobicContact CG-CD1 4.29Å
480	V	97.8	Very high	88.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	113.8	-178.6	-169.2	0	0	0	0	110.8	L478 S482 D485 F486 I489 L528 M529 T530 E531 Y550	L478-V480 HydrophobicContact CD1-CG2 4.32Å; L478-V480 HydrophobicContact CG-CG2 4.26Å; V480-S482 WeakPolarHBondContact CG1-O 3.37Å; V480-D485 HydrophobicContact CG1-CB 3.97Å; V480-F486 HydrophobicContact CB-CB 4.29Å; V480-F486 HydrophobicContact CG1-CB 4.15Å; V480-I489 HydrophobicContact CG1-CD1 4.31Å; V480-I489 HydrophobicContact CG2-CD1 3.88Å; V480-L528 HydrophobicContact CG2-CD1 3.59Å; V480-M529 PolarHBondContact N-O 3.47Å; V480-T530 WeakPolarHBondContact O-CA 3.21Å; V480-E531 PolarHBondContact O-N 2.98Å; V480-E531 VanDerWaalsContact O-N 3.11Å; V480-Y550 HydrophobicContact CG1-CD1 3.86Å; V480-Y550 HydrophobicContact CG1-CE1 4.46Å; V480-Y550 HydrophobicContact CG1-CG 4.42Å
481	P	96.1	Very high	90	Very high	16 Å²	16	40.8 Å²	40.8	10%	0.104	21%	0.209	C	C	.	.	S	Bend	trans	-60	-48	174.4	-28.2	37	0	0	0	113.8	Y479 E531 Q551 L552	Y479-P481 HydrophobicContact CD1-CG 4.39Å; Y479-P481 HydrophobicContact CE1-CG 4.04Å; P481-E531 HydrophobicContact CB-CB 4.44Å; P481-E531 WeakPolarHBondContact CB-OE2 3.5Å; P481-Q551 HydrophobicContact CG-CB 3.93Å; P481-Q551 HydrophobicContact CG-CG 4.36Å; P481-L552 WeakPolarHBondContact CG-O 3.38Å
482	S	93.7	Very high	91.7	Very high	31 Å²	31	37.3 Å²	37.3	22%	0.217	18%	0.18	C	C	.	.			trans	-83	123.6	-174.3	168.5	0	0	0	0	112.5	V480 F484 D485 F486	V480-S482 WeakPolarHBondContact CG1-O 3.37Å; S482-F484 PolarHBondContact O-N 2.95Å; S482-F484 PolarHBondContact OG-N 3.39Å; S482-D485 WeakPolarHBondContact CB-OD2 3.3Å; S482-D485 PolarHBondContact O-N 3.43Å; S482-D485 PolarHBondContact OG-N 2.96Å; S482-D485 PolarHBondContact OG-OD2 2.77Å; S482-F486 WeakPolarHBondContact O-CB 3.38Å; S482-F486 PolarHBondContact O-N 3.4Å
483	Y	94.3	Very high	93.2	Very high	58 Å²	58	30.5 Å²	30.5	23%	0.227	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-29.8	172.7	-175.7	-100.7	0	0	0	112.7	F486 V487 Y506 T530	Y483-F486 HydrophobicContact CD2-CD1 4.18Å; Y483-F486 HydrophobicContact CE2-CD1 4.02Å; Y483-F486 HydrophobicContact CE2-CE1 4.19Å; Y483-V487 HydrophobicContact CD1-CG2 4.24Å; Y483-V487 HydrophobicContact CE1-CG2 3.71Å; Y483-V487 HydrophobicContact CE2-CG2 4.34Å; Y483-V487 WeakPolarHBondContact O-CG2 3.43Å; Y483-V487 PolarHBondContact O-N 2.85Å; Y483-Y506 HydrophobicContact CD1-CE2 4.4Å; Y483-Y506 HydrophobicContact CD2-CD2 4.33Å; Y483-Y506 HydrophobicContact CD2-CE2 4Å; Y483-Y506 HydrophobicContact CE1-CD2 4.47Å; Y483-Y506 AromaticContact CE1-CE2 3.99Å; Y483-Y506 HydrophobicContact CE1-CE2 3.99Å; Y483-Y506 AromaticContact CE2-CD2 3.56Å; Y483-Y506 HydrophobicContact CE2-CD2 3.56Å; Y483-Y506 AromaticContact CE2-CE2 3.59Å; Y483-Y506 HydrophobicContact CE2-CE2 3.59Å; Y483-Y506 HydrophobicContact CG-CE2 4.41Å; Y483-Y506 AromaticContact CZ-CD2 3.63Å; Y483-Y506 AromaticContact CZ-CE2 3.58Å; Y483-T530 HydrophobicContact CD2-CG2 4.17Å
484	F	94	Very high	94.4	Very high	144 Å²	144	34.8 Å²	34.8	63%	0.632	17%	0.166	S	C	*	.	H	α-helix	trans	-68.7	-48.3	178	-63.8	-75.6	0	0	0	110.9	S482 F486 V487 R488	S482-F484 PolarHBondContact O-N 2.95Å; S482-F484 PolarHBondContact OG-N 3.39Å; F484-F486 VanDerWaalsContact C-N 3.35Å; F484-F486 PolarHBondContact O-N 3.06Å; F484-V487 PolarHBondContact O-N 2.74Å; F484-V487 VanDerWaalsContact O-N 3.13Å; F484-R488 WeakPolarHBondContact O-CG 3.4Å; F484-R488 PolarHBondContact O-N 3.49Å
485	D	96.4	Very high	95.2	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.053	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-38.1	176.1	-60.2	-94	0	0	0	111.8	S452 V480 S482 V487 R488 I489 Y550	S452-D485 PolarHBondContact OG-OD1 2.96Å; V480-D485 HydrophobicContact CG1-CB 3.97Å; S482-D485 WeakPolarHBondContact CB-OD2 3.3Å; S482-D485 PolarHBondContact O-N 3.43Å; S482-D485 PolarHBondContact OG-N 2.96Å; S482-D485 PolarHBondContact OG-OD2 2.77Å; D485-V487 VanDerWaalsContact C-N 3.27Å; D485-V487 PolarHBondContact O-N 2.71Å; D485-R488 WeakPolarHBondContact O-CB 3.32Å; D485-R488 PolarHBondContact O-N 3.1Å; D485-R488 VanDerWaalsContact O-N 3.12Å; D485-I489 WeakPolarHBondContact O-CB 3.31Å; D485-I489 WeakPolarHBondContact O-CD1 3.42Å; D485-I489 VanDerWaalsContact O-CG1 3.25Å; D485-I489 WeakPolarHBondContact O-CG1 3.32Å; D485-I489 PolarHBondContact O-N 2.67Å; D485-Y550 HydrophobicContact CB-CD1 4.19Å; D485-Y550 HydrophobicContact CB-CE1 3.39Å; D485-Y550 WeakPolarHBondContact OD1-CE1 3.14Å; D485-Y550 PolarHBondContact OD1-OH 2.85Å
486	F	97.5	Very high	95.3	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-55.5	-41.8	171.1	169.8	-85.2	0	0	0	111.9	V480 S482 Y483 F484 R490 H502 I503 L528 T530	V480-F486 HydrophobicContact CB-CB 4.29Å; V480-F486 HydrophobicContact CG1-CB 4.15Å; S482-F486 WeakPolarHBondContact O-CB 3.38Å; S482-F486 PolarHBondContact O-N 3.4Å; Y483-F486 HydrophobicContact CD2-CD1 4.18Å; Y483-F486 HydrophobicContact CE2-CD1 4.02Å; Y483-F486 HydrophobicContact CE2-CE1 4.19Å; F484-F486 VanDerWaalsContact C-N 3.35Å; F484-F486 PolarHBondContact O-N 3.06Å; F486-R490 WeakPolarHBondContact O-CB 3.38Å; F486-R490 PolarHBondContact O-N 2.71Å; F486-H502 HydrophobicContact CE2-CB 4.35Å; F486-H502 HydrophobicContact CZ-CB 4.06Å; F486-H502 AromaticContact CZ-CD2 3.98Å; F486-I503 VanDerWaalsContact CE2-O 3.31Å; F486-I503 WeakPolarHBondContact CE2-O 3.22Å; F486-L528 HydrophobicContact CD2-CD1 3.95Å; F486-L528 HydrophobicContact CD2-CD2 3.91Å; F486-L528 HydrophobicContact CD2-CG 3.6Å; F486-L528 HydrophobicContact CE2-CD1 4.39Å; F486-L528 HydrophobicContact CE2-CD2 3.92Å; F486-L528 HydrophobicContact CE2-CG 3.58Å; F486-L528 HydrophobicContact CG-CD2 4.49Å; F486-L528 HydrophobicContact CZ-CD2 4.47Å; F486-T530 HydrophobicContact CB-CG2 3.96Å; F486-T530 HydrophobicContact CD1-CG2 3.97Å; F486-T530 HydrophobicContact CD2-CG2 3.31Å; F486-T530 HydrophobicContact CE1-CG2 4.28Å; F486-T530 HydrophobicContact CE2-CG2 3.64Å; F486-T530 HydrophobicContact CG-CG2 3.49Å; F486-T530 VanDerWaalsContact CG-CG2 3.49Å; F486-T530 HydrophobicContact CZ-CG2 4.12Å
487	V	97.1	Very high	95.1	Very high	35 Å²	35	49.9 Å²	49.9	21%	0.212	24%	0.236	C	C	.	.	H	α-helix	trans	-68	-41.6	175.8	168.3	0	0	0	0	111.6	Y483 F484 D485 N491	Y483-V487 HydrophobicContact CD1-CG2 4.24Å; Y483-V487 HydrophobicContact CE1-CG2 3.71Å; Y483-V487 HydrophobicContact CE2-CG2 4.34Å; Y483-V487 WeakPolarHBondContact O-CG2 3.43Å; Y483-V487 PolarHBondContact O-N 2.85Å; F484-V487 PolarHBondContact O-N 2.74Å; F484-V487 VanDerWaalsContact O-N 3.13Å; D485-V487 VanDerWaalsContact C-N 3.27Å; D485-V487 PolarHBondContact O-N 2.71Å; V487-N491 WeakPolarHBondContact O-CB 3.4Å; V487-N491 PolarHBondContact O-N 3.33Å; V487-N491 PolarHBondContact O-ND2 3.29Å; V487-N491 PolarHBondContact O-OD1 3.31Å
488	R	96.9	Very high	94.8	Very high	72 Å²	72	52 Å²	52	27%	0.272	24%	0.244	S	C	.	.	H	α-helix	trans	-57.8	-54.5	175.2	-62.8	169.6	70.4	139.2	18.1	110.9	S452 D453 F456 F484 D485 N491 H492	S452-R488 PolarHBondContact OG-NH1 2.86Å; D453-R488 IonicContact OD1-CZ 2.75Å; D453-R488 IonicContact OD1-NH1 3.41Å; D453-R488 PolarHBondContact OD1-NH1 2.92Å; D453-R488 IonicContact OD1-NH2 2.65Å; D453-R488 PolarHBondContact OD1-NH2 3.33Å; F456-R488 VanDerWaalsContact CD1-NH2 3.29Å; F456-R488 HydrophobicContact CD2-CB 3.87Å; F456-R488 HydrophobicContact CE2-CB 3.49Å; F456-R488 VanDerWaalsContact CE2-CB 3.49Å; F456-R488 HydrophobicContact CZ-CB 3.97Å; F484-R488 WeakPolarHBondContact O-CG 3.4Å; F484-R488 PolarHBondContact O-N 3.49Å; D485-R488 WeakPolarHBondContact O-CB 3.32Å; D485-R488 PolarHBondContact O-N 3.1Å; D485-R488 VanDerWaalsContact O-N 3.12Å; R488-N491 PolarHBondContact O-N 3.28Å; R488-H492 PolarHBondContact O-N 3.48Å
489	I	96.7	Very high	94.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-50.5	-179.4	-66.7	163.5	0	0	0	110.5	F456 F459 L478 V480 D485 N491 H492 L493 L528 Y550	F456-I489 HydrophobicContact CD2-CG1 4.27Å; F456-I489 HydrophobicContact CE2-CG1 4.09Å; F459-I489 HydrophobicContact CD1-CG1 4.33Å; F459-I489 HydrophobicContact CE1-CD1 4.36Å; F459-I489 HydrophobicContact CE1-CG1 4.01Å; F459-I489 HydrophobicContact CE1-CG2 4.11Å; F459-I489 HydrophobicContact CZ-CG2 4.37Å; L478-I489 HydrophobicContact CD2-CG2 3.9Å; V480-I489 HydrophobicContact CG1-CD1 4.31Å; V480-I489 HydrophobicContact CG2-CD1 3.88Å; D485-I489 WeakPolarHBondContact O-CB 3.31Å; D485-I489 WeakPolarHBondContact O-CD1 3.42Å; D485-I489 VanDerWaalsContact O-CG1 3.25Å; D485-I489 WeakPolarHBondContact O-CG1 3.32Å; D485-I489 PolarHBondContact O-N 2.67Å; I489-N491 VanDerWaalsContact C-N 3.26Å; I489-N491 PolarHBondContact O-N 3.01Å; I489-H492 PolarHBondContact O-N 3.14Å; I489-L493 HydrophobicContact CG2-CD1 3.66Å; I489-L493 HydrophobicContact CG2-CG 4.2Å; I489-L493 WeakPolarHBondContact O-CB 3.18Å; I489-L493 VanDerWaalsContact O-CG 3.3Å; I489-L493 WeakPolarHBondContact O-CG 3.24Å; I489-L493 PolarHBondContact O-N 2.86Å; I489-L528 HydrophobicContact CG2-CD1 4.04Å; I489-L528 HydrophobicContact CG2-CD2 4.17Å; I489-Y550 HydrophobicContact CD1-CD1 4.29Å; I489-Y550 HydrophobicContact CD1-CD2 3.64Å; I489-Y550 HydrophobicContact CD1-CE1 4.41Å; I489-Y550 HydrophobicContact CD1-CE2 3.8Å; I489-Y550 HydrophobicContact CD1-CG 3.88Å; I489-Y550 HydrophobicContact CG1-CE2 4.49Å
490	R	96.2	Very high	94.3	Very high	54 Å²	54	55.1 Å²	55.1	20%	0.204	26%	0.263	C	S	.	.	H	α-helix	trans	-56.5	-38.3	176.8	-177.2	-156.2	70.2	-173.2	0.3	112.5	F486 K494 F500 L528	F486-R490 WeakPolarHBondContact O-CB 3.38Å; F486-R490 PolarHBondContact O-N 2.71Å; R490-K494 WeakPolarHBondContact O-CB 3.5Å; R490-K494 WeakPolarHBondContact O-CG 3.32Å; R490-K494 PolarHBondContact O-N 2.87Å; R490-F500 HydrophobicContact CG-CE2 4.12Å; R490-F500 HydrophobicContact CG-CZ 4.02Å; R490-L528 HydrophobicContact CB-CD2 3.74Å; R490-L528 HydrophobicContact CG-CD2 4.43Å
491	N	96.5	Very high	94.2	Very high	78 Å²	78	56.8 Å²	56.8	42%	0.417	27%	0.272	S	S	.	.	H	α-helix	trans	-73.1	-40	-179.7	-70.2	-2.4	0	0	0	111.5	V487 R488 I489 K494 K495	V487-N491 WeakPolarHBondContact O-CB 3.4Å; V487-N491 PolarHBondContact O-N 3.33Å; V487-N491 PolarHBondContact O-ND2 3.29Å; V487-N491 PolarHBondContact O-OD1 3.31Å; R488-N491 PolarHBondContact O-N 3.28Å; I489-N491 VanDerWaalsContact C-N 3.26Å; I489-N491 PolarHBondContact O-N 3.01Å; N491-K494 PolarHBondContact O-N 3.04Å; N491-K495 PolarHBondContact O-N 3.19Å
492	H	95.1	Very high	94.2	Very high	39 Å²	39	57.6 Å²	57.6	18%	0.181	27%	0.274	C	S	.	.	H	α-helix	trans	-63.8	-52	173.7	170.8	72.4	0	0	0	111.9	F456 L460 R488 I489 K494 K495 D496	F456-H492 HydrophobicContact CZ-CB 4.37Å; L460-H492 WeakPolarHBondContact CD2-CD2 3.37Å; L460-H492 WeakPolarHBondContact CD2-NE2 3.26Å; R488-H492 PolarHBondContact O-N 3.48Å; I489-H492 PolarHBondContact O-N 3.14Å; H492-K494 PolarHBondContact O-N 3.28Å; H492-K494 VanDerWaalsContact O-N 3.11Å; H492-K495 WeakPolarHBondContact O-CB 3.18Å; H492-K495 PolarHBondContact O-N 2.97Å; H492-D496 IonicContact CE1-OD2 3.18Å; H492-D496 PolarHBondContact CE1-OD2 3.42Å; H492-D496 IonicContact ND1-OD2 3.01Å; H492-D496 IonicContact NE2-OD2 2.76Å; H492-D496 PolarHBondContact O-N 3.06Å
493	L	93.6	Very high	94.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.6	-31	177	-67.1	171.1	0	0	0	112.9	L464 I489 N497 W498 F500 L526 L528	L464-L493 HydrophobicContact CD1-CD2 4.16Å; L464-L493 HydrophobicContact CD2-CD2 4.16Å; I489-L493 HydrophobicContact CG2-CD1 3.66Å; I489-L493 HydrophobicContact CG2-CG 4.2Å; I489-L493 WeakPolarHBondContact O-CB 3.18Å; I489-L493 VanDerWaalsContact O-CG 3.3Å; I489-L493 WeakPolarHBondContact O-CG 3.24Å; I489-L493 PolarHBondContact O-N 2.86Å; L493-N497 PolarHBondContact O-N 3.06Å; L493-W498 HydrophobicContact CB-CB 4.18Å; L493-W498 HydrophobicContact CB-CG 4.28Å; L493-W498 HydrophobicContact CD2-CB 4.09Å; L493-W498 HydrophobicContact CD2-CD2 3.48Å; L493-W498 VanDerWaalsContact CD2-CD2 3.48Å; L493-W498 HydrophobicContact CD2-CE3 3.96Å; L493-W498 HydrophobicContact CD2-CG 3.53Å; L493-W498 HydrophobicContact CD2-CZ2 4.48Å; L493-W498 WeakPolarHBondContact O-CB 3.46Å; L493-W498 PolarHBondContact O-N 3.14Å; L493-F500 HydrophobicContact CB-CD1 3.79Å; L493-F500 HydrophobicContact CB-CD2 4.45Å; L493-F500 HydrophobicContact CB-CE1 3.47Å; L493-F500 VanDerWaalsContact CB-CE1 3.47Å; L493-F500 HydrophobicContact CB-CE2 4.16Å; L493-F500 HydrophobicContact CB-CG 4.27Å; L493-F500 HydrophobicContact CB-CZ 3.67Å; L493-F500 HydrophobicContact CD1-CD2 3.89Å; L493-F500 HydrophobicContact CD1-CE2 3.95Å; L493-F500 HydrophobicContact CD1-CG 4.18Å; L493-F500 HydrophobicContact CD1-CZ 4.32Å; L493-L526 HydrophobicContact CD1-CD2 3.72Å; L493-L526 HydrophobicContact CD2-CD2 3.95Å; L493-L528 HydrophobicContact CD1-CD2 4.39Å
494	K	93.8	Very high	94.5	Very high	120 Å²	120	53.6 Å²	53.6	52%	0.522	26%	0.255	S	S	.	.	H	α-helix	trans	-72.1	-44.3	172.2	-84.7	-175.5	173	-161.4	0	113.5	R490 N491 H492 D496 N497 F500	R490-K494 WeakPolarHBondContact O-CB 3.5Å; R490-K494 WeakPolarHBondContact O-CG 3.32Å; R490-K494 PolarHBondContact O-N 2.87Å; N491-K494 PolarHBondContact O-N 3.04Å; H492-K494 PolarHBondContact O-N 3.28Å; H492-K494 VanDerWaalsContact O-N 3.11Å; K494-D496 PolarHBondContact O-N 2.75Å; K494-N497 PolarHBondContact O-N 3.04Å; K494-F500 HydrophobicContact CG-CE1 3.93Å; K494-F500 HydrophobicContact CG-CZ 3.96Å
495	K	94.1	Very high	94.4	Very high	166 Å²	166	48.8 Å²	48.8	72%	0.722	23%	0.234	S	C	*	.	H	α-helix	trans	-58.4	-40.4	178.8	-176.7	-162.3	167.2	-151.1	0	110.4	N491 H492 N497	N491-K495 PolarHBondContact O-N 3.19Å; H492-K495 WeakPolarHBondContact O-CB 3.18Å; H492-K495 PolarHBondContact O-N 2.97Å; K495-N497 VanDerWaalsContact C-N 3.31Å; K495-N497 PolarHBondContact O-N 3.36Å
496	D	89.4	Confident	94.3	Very high	72 Å²	72	56 Å²	56	39%	0.385	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	19.9	-173.3	-60.7	15.5	0	0	0	111.4	H492 K494 W498	H492-D496 IonicContact CE1-OD2 3.18Å; H492-D496 PolarHBondContact CE1-OD2 3.42Å; H492-D496 IonicContact ND1-OD2 3.01Å; H492-D496 IonicContact NE2-OD2 2.76Å; H492-D496 PolarHBondContact O-N 3.06Å; K494-D496 PolarHBondContact O-N 2.75Å; D496-W498 VanDerWaalsContact C-N 3.34Å; D496-W498 PolarHBondContact O-N 3.29Å
497	N	88.9	Confident	94.1	Very high	147 Å²	147	56.5 Å²	56.5	79%	0.786	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	32.8	170.8	-65.5	-57.6	0	0	0	117.2	L493 K494 K495	L493-N497 PolarHBondContact O-N 3.06Å; K494-N497 PolarHBondContact O-N 3.04Å; K495-N497 VanDerWaalsContact C-N 3.31Å; K495-N497 PolarHBondContact O-N 3.36Å
498	W	89.8	Confident	94	Very high	47 Å²	47	58 Å²	58	18%	0.178	28%	0.277	C	S	.	.			trans	-62.2	145.4	-179.7	-76.9	66.1	0	0	0	113.3	L464 T468 L493 D496 F500 L526	L464-W498 HydrophobicContact CD1-CH2 3.41Å; L464-W498 VanDerWaalsContact CD1-CH2 3.41Å; L464-W498 HydrophobicContact CD1-CZ2 3.68Å; L464-W498 HydrophobicContact CD1-CZ3 3.95Å; L464-W498 HydrophobicContact CD2-CH2 4.5Å; L464-W498 HydrophobicContact CD2-CZ2 3.93Å; L464-W498 HydrophobicContact CG-CH2 3.72Å; L464-W498 HydrophobicContact CG-CZ2 3.56Å; T468-W498 HydrophobicContact CG2-CH2 4.17Å; T468-W498 HydrophobicContact CG2-CZ2 4.08Å; T468-W498 WeakPolarHBondContact OG1-CH2 3.42Å; T468-W498 WeakPolarHBondContact OG1-CZ2 3.06Å; L493-W498 HydrophobicContact CB-CB 4.18Å; L493-W498 HydrophobicContact CB-CG 4.28Å; L493-W498 HydrophobicContact CD2-CB 4.09Å; L493-W498 HydrophobicContact CD2-CD2 3.48Å; L493-W498 VanDerWaalsContact CD2-CD2 3.48Å; L493-W498 HydrophobicContact CD2-CE3 3.96Å; L493-W498 HydrophobicContact CD2-CG 3.53Å; L493-W498 HydrophobicContact CD2-CZ2 4.48Å; L493-W498 WeakPolarHBondContact O-CB 3.46Å; L493-W498 PolarHBondContact O-N 3.14Å; D496-W498 VanDerWaalsContact C-N 3.34Å; D496-W498 PolarHBondContact O-N 3.29Å; W498-F500 HydrophobicContact CB-CD1 3.97Å; W498-F500 WeakPolarHBondContact O-CD1 3.31Å; W498-F500 PolarHBondContact O-N 2.7Å; W498-L526 HydrophobicContact CE3-CD2 4.16Å
499	S	90	Very high	93.8	Very high	47 Å²	47	59.3 Å²	59.3	33%	0.329	30%	0.295	S	S	.	.			trans	-80.3	64.5	174.7	-161.5	0	0	0	0	112.1	E523 K524 S525	S499-E523 PolarHBondContact OG-O 3.05Å; S499-K524 CarbonylContact O-C 3.52Å; S499-K524 WeakPolarHBondContact O-CA 3.41Å; S499-K524 PolarHBondContact OG-NZ 3.18Å; S499-S525 PolarHBondContact O-N 3.01Å; S499-S525 PolarHBondContact O-OG 2.84Å
500	F	93.5	Very high	93.7	Very high	21 Å²	21	68.4 Å²	68.4	9%	0.092	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	157.9	-174.1	87.3	-73	0	0	0	114.6	R490 L493 K494 W498 H502 L526 L528	R490-F500 HydrophobicContact CG-CE2 4.12Å; R490-F500 HydrophobicContact CG-CZ 4.02Å; L493-F500 HydrophobicContact CB-CD1 3.79Å; L493-F500 HydrophobicContact CB-CD2 4.45Å; L493-F500 HydrophobicContact CB-CE1 3.47Å; L493-F500 VanDerWaalsContact CB-CE1 3.47Å; L493-F500 HydrophobicContact CB-CE2 4.16Å; L493-F500 HydrophobicContact CB-CG 4.27Å; L493-F500 HydrophobicContact CB-CZ 3.67Å; L493-F500 HydrophobicContact CD1-CD2 3.89Å; L493-F500 HydrophobicContact CD1-CE2 3.95Å; L493-F500 HydrophobicContact CD1-CG 4.18Å; L493-F500 HydrophobicContact CD1-CZ 4.32Å; K494-F500 HydrophobicContact CG-CE1 3.93Å; K494-F500 HydrophobicContact CG-CZ 3.96Å; W498-F500 HydrophobicContact CB-CD1 3.97Å; W498-F500 WeakPolarHBondContact O-CD1 3.31Å; W498-F500 PolarHBondContact O-N 2.7Å; F500-H502 HydrophobicContact CD2-CB 4.4Å; F500-H502 HydrophobicContact CE2-CB 4.03Å; F500-L526 CarbonylContact C-O 3.53Å; F500-L526 VanDerWaalsContact CA-O 3.23Å; F500-L526 WeakPolarHBondContact CA-O 3.34Å; F500-L526 HydrophobicContact CB-CB 3.74Å; F500-L526 HydrophobicContact CB-CD2 3.93Å; F500-L526 HydrophobicContact CB-CG 4.06Å; F500-L526 WeakPolarHBondContact CB-O 3.49Å; F500-L528 HydrophobicContact CD2-CB 4.28Å; F500-L528 HydrophobicContact CE2-CD2 4.09Å
501	M	95	Very high	93.7	Very high	36 Å²	36	68.7 Å²	68.7	18%	0.177	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	162.1	163.8	-76.1	-65.8	-74.2	0	0	110.6	A515 L518 K524 L526 L527 L528	M501-A515 HydrophobicContact CB-CB 4.02Å; M501-A515 HydrophobicContact CE-CB 3.72Å; M501-L518 HydrophobicContact CE-CD1 4.06Å; M501-L518 HydrophobicContact CG-CD1 4.06Å; M501-L518 HydrophobicContact SD-CD1 4.06Å; M501-K524 HydrophobicContact CG-CB 3.99Å; M501-K524 HydrophobicContact CG-CD 4.19Å; M501-K524 HydrophobicContact CG-CG 3.64Å; M501-L526 PolarHBondContact N-O 2.93Å; M501-L527 HydrophobicContact CB-CD1 4.12Å; M501-L527 WeakPolarHBondContact O-CA 3.46Å; M501-L528 PolarHBondContact O-N 2.81Å
502	H	96.5	Very high	93.6	Very high	32 Å²	32	65.2 Å²	65.2	15%	0.148	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	136.3	-177.2	65.9	-68.7	0	0	0	112.6	F486 F500 K511 L528	F486-H502 HydrophobicContact CE2-CB 4.35Å; F486-H502 HydrophobicContact CZ-CB 4.06Å; F486-H502 AromaticContact CZ-CD2 3.98Å; F500-H502 HydrophobicContact CD2-CB 4.4Å; F500-H502 HydrophobicContact CE2-CB 4.03Å; H502-K511 PolarHBondContact CD2-NZ 3.35Å; H502-K511 VanDerWaalsContact CD2-NZ 3.3Å; H502-K511 PolarHBondContact NE2-NZ 3.25Å; H502-K511 WeakPolarHBondContact O-CE 3.28Å; H502-K511 PolarHBondContact O-NZ 2.86Å; H502-K511 VanDerWaalsContact O-NZ 3.11Å; H502-L528 CarbonylContact C-O 3.59Å; H502-L528 VanDerWaalsContact CA-O 3.25Å; H502-L528 WeakPolarHBondContact CA-O 3.38Å; H502-L528 HydrophobicContact CB-CB 4Å; H502-L528 HydrophobicContact CB-CD2 4.19Å; H502-L528 HydrophobicContact CB-CG 4.35Å
503	I	97.1	Very high	93.5	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.9	-179.6	52.7	-176.6	0	0	0	109.9	F486 V512 A515 L527 L528 M529 T530 F533 M541	F486-I503 VanDerWaalsContact CE2-O 3.31Å; F486-I503 WeakPolarHBondContact CE2-O 3.22Å; I503-V512 HydrophobicContact CG2-CG2 4.15Å; I503-A515 HydrophobicContact CG2-CB 3.6Å; I503-L527 HydrophobicContact CD1-CD1 4.01Å; I503-L527 HydrophobicContact CD1-CD2 4.03Å; I503-L527 HydrophobicContact CD1-CG 4.18Å; I503-L527 HydrophobicContact CG1-CD1 4.01Å; I503-L527 HydrophobicContact CG1-CG 4.49Å; I503-L527 HydrophobicContact CG2-CD1 4.38Å; I503-L528 PolarHBondContact N-O 2.85Å; I503-M529 HydrophobicContact CD1-CB 4.21Å; I503-M529 HydrophobicContact CD1-CG 4.07Å; I503-M529 HydrophobicContact CD1-SD 3.94Å; I503-M529 HydrophobicContact CG1-CB 3.9Å; I503-M529 HydrophobicContact CG1-CG 3.97Å; I503-M529 WeakPolarHBondContact O-CA 3.26Å; I503-T530 PolarHBondContact O-N 3.32Å; I503-F533 HydrophobicContact CB-CD1 4.34Å; I503-F533 HydrophobicContact CB-CE1 4.25Å; I503-F533 HydrophobicContact CB-CZ 4.34Å; I503-F533 HydrophobicContact CD1-CD1 4.02Å; I503-F533 HydrophobicContact CD1-CE1 3.67Å; I503-F533 HydrophobicContact CD1-CZ 4.35Å; I503-F533 HydrophobicContact CG1-CD1 4.14Å; I503-F533 HydrophobicContact CG1-CE1 4.17Å; I503-M541 HydrophobicContact CD1-CE 3.62Å; I503-M541 HydrophobicContact CD1-SD 4.28Å
504	S	96.5	Very high	93.6	Very high	6 Å²	6	68.3 Å²	68.3	4%	0.042	35%	0.352	C	S	.	.			trans	-155	167.6	-175.5	58.6	0	0	0	0	109.4	Y506 S507 F533	S504-Y506 PolarHBondContact O-N 3.27Å; S504-S507 PolarHBondContact N-OG 3.15Å; S504-S507 VanDerWaalsContact O-CB 3.22Å; S504-S507 WeakPolarHBondContact O-CB 3.43Å; S504-S507 PolarHBondContact O-N 2.89Å; S504-S507 PolarHBondContact O-OG 3.33Å; S504-S507 PolarHBondContact OG-OG 3.13Å; S504-S507 VanDerWaalsContact OG-OG 3.08Å; S504-F533 VanDerWaalsContact O-CD2 3.3Å; S504-F533 WeakPolarHBondContact O-CD2 3.49Å
505	E	92.3	Very high	93.7	Very high	42 Å²	42	62.6 Å²	62.6	20%	0.196	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-23.7	176.8	59.6	-92.3	-136	0	0	113.7	T530 R532	E505-T530 WeakPolarHBondContact OE2-CB 3.38Å; E505-T530 PolarHBondContact OE2-OG1 2.83Å; E505-R532 HydrophobicContact CB-CB 4.18Å; E505-R532 HydrophobicContact CG-CB 4.36Å; E505-R532 WeakPolarHBondContact OE1-CD 3.45Å; E505-R532 IonicContact OE1-CZ 3.08Å; E505-R532 IonicContact OE1-NH1 3.78Å; E505-R532 PolarHBondContact OE1-NH1 2.78Å
506	Y	93.3	Very high	93.7	Very high	161 Å²	161	57.4 Å²	57.4	63%	0.631	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	7.8	176.3	-48.7	-68.2	0	0	0	114.3	Y483 S504	Y483-Y506 HydrophobicContact CD1-CE2 4.4Å; Y483-Y506 HydrophobicContact CD2-CD2 4.33Å; Y483-Y506 HydrophobicContact CD2-CE2 4Å; Y483-Y506 HydrophobicContact CE1-CD2 4.47Å; Y483-Y506 AromaticContact CE1-CE2 3.99Å; Y483-Y506 HydrophobicContact CE1-CE2 3.99Å; Y483-Y506 AromaticContact CE2-CD2 3.56Å; Y483-Y506 HydrophobicContact CE2-CD2 3.56Å; Y483-Y506 AromaticContact CE2-CE2 3.59Å; Y483-Y506 HydrophobicContact CE2-CE2 3.59Å; Y483-Y506 HydrophobicContact CG-CE2 4.41Å; Y483-Y506 AromaticContact CZ-CD2 3.63Å; Y483-Y506 AromaticContact CZ-CE2 3.58Å; S504-Y506 PolarHBondContact O-N 3.27Å
507	S	94.3	Very high	93.9	Very high	11 Å²	11	56.8 Å²	56.8	8%	0.077	30%	0.304	C	S	.	.			trans	-91.8	119.7	-177.4	-66.6	0	0	0	0	111.4	S504 K511 V512	S504-S507 PolarHBondContact N-OG 3.15Å; S504-S507 VanDerWaalsContact O-CB 3.22Å; S504-S507 WeakPolarHBondContact O-CB 3.43Å; S504-S507 PolarHBondContact O-N 2.89Å; S504-S507 PolarHBondContact O-OG 3.33Å; S504-S507 PolarHBondContact OG-OG 3.13Å; S504-S507 VanDerWaalsContact OG-OG 3.08Å; S507-K511 PolarHBondContact OG-NZ 2.89Å; S507-V512 WeakPolarHBondContact O-CG2 3.36Å
508	S	95	Very high	94.1	Very high	67 Å²	67	51.9 Å²	51.9	47%	0.469	28%	0.277	S	S	.	.			trans	-61.1	151	-177.5	68.2	0	0	0	0	113.1	K510 K511 V512	S508-K510 PolarHBondContact O-N 3.38Å; S508-K510 VanDerWaalsContact O-N 3.11Å; S508-K511 WeakPolarHBondContact O-CA 3.47Å; S508-K511 WeakPolarHBondContact O-CB 3.27Å; S508-K511 PolarHBondContact O-N 3.09Å; S508-V512 WeakPolarHBondContact O-CG2 3.5Å; S508-V512 PolarHBondContact O-N 3.11Å
509	P	92.7	Very high	94.2	Very high	100 Å²	100	49.7 Å²	49.7	65%	0.649	27%	0.269	S	S	*	.	H	α-helix	trans	-53.9	-36	-178.2	-29.9	36.1	0	0	0	114.2	V512 A513	P509-V512 PolarHBondContact O-N 3.15Å; P509-A513 WeakPolarHBondContact O-CB 3.46Å; P509-A513 PolarHBondContact O-N 2.98Å
510	K	94.5	Very high	94.2	Very high	190 Å²	190	50.4 Å²	50.4	83%	0.826	27%	0.265	S	S	*	.	H	α-helix	trans	-61.2	-46.6	173.8	-65.9	-173.3	179.5	-177.1	0	112.1	S508 A514	S508-K510 PolarHBondContact O-N 3.38Å; S508-K510 VanDerWaalsContact O-N 3.11Å; K510-A514 WeakPolarHBondContact O-CB 3.47Å; K510-A514 PolarHBondContact O-N 2.88Å; K510-A514 VanDerWaalsContact O-N 3.07Å
511	K	95.5	Very high	93.9	Very high	60 Å²	60	54.9 Å²	54.9	26%	0.261	29%	0.286	S	S	.	.	H	α-helix	trans	-64.5	-41.1	176.8	-178.8	-169.3	169	-155.4	0	111.2	H502 S507 S508 A514 A515	H502-K511 PolarHBondContact CD2-NZ 3.35Å; H502-K511 VanDerWaalsContact CD2-NZ 3.3Å; H502-K511 PolarHBondContact NE2-NZ 3.25Å; H502-K511 WeakPolarHBondContact O-CE 3.28Å; H502-K511 PolarHBondContact O-NZ 2.86Å; H502-K511 VanDerWaalsContact O-NZ 3.11Å; S507-K511 PolarHBondContact OG-NZ 2.89Å; S508-K511 WeakPolarHBondContact O-CA 3.47Å; S508-K511 WeakPolarHBondContact O-CB 3.27Å; S508-K511 PolarHBondContact O-N 3.09Å; K511-A514 PolarHBondContact O-N 2.85Å; K511-A515 VanDerWaalsContact O-CB 3.3Å; K511-A515 WeakPolarHBondContact O-CB 3.45Å; K511-A515 PolarHBondContact O-N 3.18Å
512	V	94.8	Very high	93.5	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.036	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-45.1	178.6	170.4	0	0	0	0	111.5	I503 S507 S508 P509 A515 R516 F533 Y539	I503-V512 HydrophobicContact CG2-CG2 4.15Å; S507-V512 WeakPolarHBondContact O-CG2 3.36Å; S508-V512 WeakPolarHBondContact O-CG2 3.5Å; S508-V512 PolarHBondContact O-N 3.11Å; P509-V512 PolarHBondContact O-N 3.15Å; V512-A515 PolarHBondContact O-N 3.29Å; V512-R516 WeakPolarHBondContact O-CB 3.38Å; V512-R516 VanDerWaalsContact O-CG 3.29Å; V512-R516 WeakPolarHBondContact O-CG 3.47Å; V512-R516 PolarHBondContact O-N 3.04Å; V512-F533 HydrophobicContact CB-CZ 4.48Å; V512-F533 HydrophobicContact CG1-CE2 4.14Å; V512-F533 HydrophobicContact CG1-CZ 3.61Å; V512-F533 HydrophobicContact CG2-CE2 3.68Å; V512-F533 HydrophobicContact CG2-CZ 3.99Å; V512-Y539 HydrophobicContact CG1-CD2 4.19Å; V512-Y539 HydrophobicContact CG1-CE2 3.8Å
513	A	93.7	Very high	93.1	Very high	59 Å²	59	58.5 Å²	58.5	49%	0.488	31%	0.312	S	S	.	.	H	α-helix	trans	-60.5	-46.7	175.5	0	0	0	0	0	111.5	P509 R516 S517	P509-A513 WeakPolarHBondContact O-CB 3.46Å; P509-A513 PolarHBondContact O-N 2.98Å; A513-R516 PolarHBondContact O-N 2.82Å; A513-S517 WeakPolarHBondContact O-CB 3.44Å; A513-S517 PolarHBondContact O-N 2.64Å
514	A	95.6	Very high	92.7	Very high	45 Å²	45	61.5 Å²	61.5	37%	0.372	32%	0.324	S	S	.	.	H	α-helix	trans	-60.5	-49.4	175.7	0	0	0	0	0	112.1	K510 K511 R516 S517 L518	K510-A514 WeakPolarHBondContact O-CB 3.47Å; K510-A514 PolarHBondContact O-N 2.88Å; K510-A514 VanDerWaalsContact O-N 3.07Å; K511-A514 PolarHBondContact O-N 2.85Å; A514-R516 VanDerWaalsContact C-N 3.32Å; A514-R516 PolarHBondContact O-N 3.08Å; A514-S517 WeakPolarHBondContact O-CB 3.31Å; A514-S517 PolarHBondContact O-N 3.19Å; A514-S517 VanDerWaalsContact O-N 3.09Å; A514-L518 VanDerWaalsContact O-CG 3.32Å; A514-L518 WeakPolarHBondContact O-CG 3.49Å; A514-L518 PolarHBondContact O-N 2.87Å
515	A	95.3	Very high	92.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-56.2	-44.2	179.1	0	0	0	0	0	112.7	M501 I503 K511 V512 F519 L527	M501-A515 HydrophobicContact CB-CB 4.02Å; M501-A515 HydrophobicContact CE-CB 3.72Å; I503-A515 HydrophobicContact CG2-CB 3.6Å; K511-A515 VanDerWaalsContact O-CB 3.3Å; K511-A515 WeakPolarHBondContact O-CB 3.45Å; K511-A515 PolarHBondContact O-N 3.18Å; V512-A515 PolarHBondContact O-N 3.29Å; A515-F519 VanDerWaalsContact O-CB 3.3Å; A515-F519 WeakPolarHBondContact O-CB 3.36Å; A515-F519 PolarHBondContact O-N 3.32Å; A515-F519 VanDerWaalsContact O-N 3.16Å; A515-L527 HydrophobicContact CB-CD1 4.29Å
516	R	93.4	Very high	92.4	Very high	56 Å²	56	61.4 Å²	61.4	21%	0.211	33%	0.328	C	S	.	.	H	α-helix	trans	-68.5	-34.1	177.7	-68.3	170.1	71.7	-164.1	4.9	112.3	V512 A513 A514 Y520 V540 M541	V512-R516 WeakPolarHBondContact O-CB 3.38Å; V512-R516 VanDerWaalsContact O-CG 3.29Å; V512-R516 WeakPolarHBondContact O-CG 3.47Å; V512-R516 PolarHBondContact O-N 3.04Å; A513-R516 PolarHBondContact O-N 2.82Å; A514-R516 VanDerWaalsContact C-N 3.32Å; A514-R516 PolarHBondContact O-N 3.08Å; R516-Y520 VanDerWaalsContact O-CB 3.26Å; R516-Y520 WeakPolarHBondContact O-CB 3.38Å; R516-Y520 PolarHBondContact O-N 2.84Å; R516-Y520 VanDerWaalsContact O-N 3.1Å; R516-V540 PolarHBondContact NH2-O 3.49Å; R516-M541 HydrophobicContact CG-SD 3.99Å
517	S	93.4	Very high	92.5	Very high	59 Å²	59	53.7 Å²	53.7	41%	0.413	30%	0.298	S	S	.	.	H	α-helix	trans	-68	-55.7	176.3	-159.4	0	0	0	0	111.3	A513 A514 F519 Y520 H521	A513-S517 WeakPolarHBondContact O-CB 3.44Å; A513-S517 PolarHBondContact O-N 2.64Å; A514-S517 WeakPolarHBondContact O-CB 3.31Å; A514-S517 PolarHBondContact O-N 3.19Å; A514-S517 VanDerWaalsContact O-N 3.09Å; S517-F519 VanDerWaalsContact C-N 3.25Å; S517-F519 PolarHBondContact O-N 3.04Å; S517-Y520 PolarHBondContact O-N 3.18Å; S517-Y520 VanDerWaalsContact O-N 3.1Å; S517-H521 PolarHBondContact O-CD2 3.31Å; S517-H521 VanDerWaalsContact O-CD2 3.23Å; S517-H521 PolarHBondContact O-N 3.12Å
518	L	93.5	Very high	92.6	Very high	44 Å²	44	53.2 Å²	53.2	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-58.1	-38	-178.6	-63.1	171.6	0	0	0	112.1	M501 A514 G522 E523 K524	M501-L518 HydrophobicContact CE-CD1 4.06Å; M501-L518 HydrophobicContact CG-CD1 4.06Å; M501-L518 HydrophobicContact SD-CD1 4.06Å; A514-L518 VanDerWaalsContact O-CG 3.32Å; A514-L518 WeakPolarHBondContact O-CG 3.49Å; A514-L518 PolarHBondContact O-N 2.87Å; L518-G522 PolarHBondContact O-N 3.15Å; L518-G522 VanDerWaalsContact O-N 3.13Å; L518-E523 HydrophobicContact CB-CB 4.38Å; L518-E523 HydrophobicContact CD2-CB 4.17Å; L518-E523 VanDerWaalsContact CD2-CD 3.46Å; L518-E523 HydrophobicContact CD2-CG 4.46Å; L518-E523 WeakPolarHBondContact CD2-OE1 3.38Å; L518-E523 WeakPolarHBondContact CD2-OE2 3.44Å; L518-E523 PolarHBondContact O-N 2.67Å; L518-K524 HydrophobicContact CB-CB 4.31Å; L518-K524 HydrophobicContact CB-CG 3.87Å; L518-K524 HydrophobicContact CD1-CG 4.32Å; L518-K524 PolarHBondContact O-N 3.18Å
519	F	92.3	Very high	92.7	Very high	2 Å²	2	50 Å²	50	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-69.3	-44.9	175.3	-178.3	-111	0	0	0	112.6	H475 T476 L477 A515 S517 H521 G522 L527 G543 A544	H475-F519 PolarHBondContact CE1-O 3.01Å; H475-F519 PolarHBondContact ND1-O 3.47Å; H475-F519 VanDerWaalsContact ND1-O 3.11Å; T476-F519 VanDerWaalsContact O-CE2 3.27Å; T476-F519 WeakPolarHBondContact O-CE2 3.39Å; L477-F519 HydrophobicContact CB-CZ 4.32Å; A515-F519 VanDerWaalsContact O-CB 3.3Å; A515-F519 WeakPolarHBondContact O-CB 3.36Å; A515-F519 PolarHBondContact O-N 3.32Å; A515-F519 VanDerWaalsContact O-N 3.16Å; S517-F519 VanDerWaalsContact C-N 3.25Å; S517-F519 PolarHBondContact O-N 3.04Å; F519-H521 VanDerWaalsContact C-N 3.29Å; F519-H521 PolarHBondContact O-N 2.76Å; F519-G522 PolarHBondContact O-N 3.18Å; F519-L527 HydrophobicContact CB-CB 4.31Å; F519-L527 HydrophobicContact CB-CD2 4.2Å; F519-L527 HydrophobicContact CD1-CB 4.09Å; F519-L527 HydrophobicContact CD1-CD2 3.71Å; F519-L527 HydrophobicContact CD2-CB 3.49Å; F519-L527 VanDerWaalsContact CD2-CB 3.49Å; F519-L527 HydrophobicContact CE1-CB 4.23Å; F519-L527 HydrophobicContact CE1-CD2 4.17Å; F519-L527 HydrophobicContact CE2-CB 3.66Å; F519-L527 HydrophobicContact CG-CB 3.7Å; F519-L527 HydrophobicContact CG-CD2 3.92Å; F519-L527 HydrophobicContact CG-CG 4.42Å; F519-L527 HydrophobicContact CZ-CB 4.03Å; F519-G543 WeakPolarHBondContact CE1-O 3.26Å; F519-A544 HydrophobicContact CE1-CB 3.88Å; F519-A544 HydrophobicContact CZ-CB 3.97Å
520	Y	89.3	Confident	93	Very high	62 Å²	62	45.3 Å²	45.3	24%	0.243	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-35.5	177.3	176.9	-102.2	0	0	0	112.7	R516 S517 R542 R571	R516-Y520 VanDerWaalsContact O-CB 3.26Å; R516-Y520 WeakPolarHBondContact O-CB 3.38Å; R516-Y520 PolarHBondContact O-N 2.84Å; R516-Y520 VanDerWaalsContact O-N 3.1Å; S517-Y520 PolarHBondContact O-N 3.18Å; S517-Y520 VanDerWaalsContact O-N 3.1Å; Y520-R542 HydrophobicContact CD2-CB 3.68Å; Y520-R542 HydrophobicContact CE2-CB 4Å; Y520-R571 PolarHBondContact O-NH1 3.11Å; Y520-R571 PolarHBondContact O-NH2 2.51Å
521	H	88.5	Confident	93.1	Very high	115 Å²	115	36.3 Å²	36.3	53%	0.532	20%	0.202	S	C	.	.	H	α-helix	trans	-83.8	-8	177.2	-73	-75.8	0	0	0	114.5	S517 F519 E523	S517-H521 PolarHBondContact O-CD2 3.31Å; S517-H521 VanDerWaalsContact O-CD2 3.23Å; S517-H521 PolarHBondContact O-N 3.12Å; F519-H521 VanDerWaalsContact C-N 3.29Å; F519-H521 PolarHBondContact O-N 2.76Å; H521-E523 VanDerWaalsContact C-N 3.31Å; H521-E523 HydrophobicContact CB-CG 4.36Å; H521-E523 PolarHBondContact O-N 2.93Å
522	G	85.4	Confident	93.1	Very high	33 Å²	33	36 Å²	36	34%	0.34	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-1.2	176.6	0	0	0	0	0	115.1	H475 L518 F519 K524	H475-G522 WeakPolarHBondContact CE1-CA 3.31Å; H475-G522 PolarHBondContact CE1-N 3.22Å; L518-G522 PolarHBondContact O-N 3.15Å; L518-G522 VanDerWaalsContact O-N 3.13Å; F519-G522 PolarHBondContact O-N 3.18Å; G522-K524 PolarHBondContact O-N 3.12Å; G522-K524 VanDerWaalsContact O-N 3.1Å
523	E	88.5	Confident	93.2	Very high	111 Å²	111	35.8 Å²	35.8	52%	0.519	20%	0.198	S	C	.	.	S	Bend	trans	-59.1	-22.1	174.4	-61.1	173.9	-110.2	0	0	112.8	S499 L518 H521	S499-E523 PolarHBondContact OG-O 3.05Å; L518-E523 HydrophobicContact CB-CB 4.38Å; L518-E523 HydrophobicContact CD2-CB 4.17Å; L518-E523 VanDerWaalsContact CD2-CD 3.46Å; L518-E523 HydrophobicContact CD2-CG 4.46Å; L518-E523 WeakPolarHBondContact CD2-OE1 3.38Å; L518-E523 WeakPolarHBondContact CD2-OE2 3.44Å; L518-E523 PolarHBondContact O-N 2.67Å; H521-E523 VanDerWaalsContact C-N 3.31Å; H521-E523 HydrophobicContact CB-CG 4.36Å; H521-E523 PolarHBondContact O-N 2.93Å
524	K	89.6	Confident	93.3	Very high	62 Å²	62	33 Å²	33	27%	0.27	18%	0.175	S	C	.	.	S	Bend	trans	-132.9	114.3	176.4	-63.7	-72.5	144.1	-152.8	0	108.3	S499 M501 L518 G522 L526	S499-K524 CarbonylContact O-C 3.52Å; S499-K524 WeakPolarHBondContact O-CA 3.41Å; S499-K524 PolarHBondContact OG-NZ 3.18Å; M501-K524 HydrophobicContact CG-CB 3.99Å; M501-K524 HydrophobicContact CG-CD 4.19Å; M501-K524 HydrophobicContact CG-CG 3.64Å; L518-K524 HydrophobicContact CB-CB 4.31Å; L518-K524 HydrophobicContact CB-CG 3.87Å; L518-K524 HydrophobicContact CD1-CG 4.32Å; L518-K524 PolarHBondContact O-N 3.18Å; G522-K524 PolarHBondContact O-N 3.12Å; G522-K524 VanDerWaalsContact O-N 3.1Å; K524-L526 VanDerWaalsContact C-N 3.3Å; K524-L526 PolarHBondContact O-N 3.36Å
525	S	89.2	Confident	93.3	Very high	40 Å²	40	31.2 Å²	31.2	28%	0.28	16%	0.159	S	C	.	.	S	Bend	trans	-73	-21.6	-172.2	54.8	0	0	0	0	113.6	H475 T476 S499	H475-S525 CarbonylContact C-O 3.52Å; H475-S525 WeakPolarHBondContact CA-O 3.11Å; H475-S525 PolarHBondContact N-O 2.89Å; T476-S525 PolarHBondContact N-O 3.32Å; S499-S525 PolarHBondContact O-N 3.01Å; S499-S525 PolarHBondContact O-OG 2.84Å
526	L	92.9	Very high	93.1	Very high	6 Å²	6	34 Å²	34	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.2	-175.3	-178.9	69.8	0	0	0	111	T476 L478 L493 W498 F500 M501 K524	T476-L526 HydrophobicContact CG2-CD1 3.68Å; T476-L526 CarbonylContact O-C 3.53Å; T476-L526 WeakPolarHBondContact O-CA 3.22Å; L478-L526 HydrophobicContact CB-CD1 3.85Å; L478-L526 HydrophobicContact CD2-CD1 4.42Å; L493-L526 HydrophobicContact CD1-CD2 3.72Å; L493-L526 HydrophobicContact CD2-CD2 3.95Å; W498-L526 HydrophobicContact CE3-CD2 4.16Å; F500-L526 CarbonylContact C-O 3.53Å; F500-L526 VanDerWaalsContact CA-O 3.23Å; F500-L526 WeakPolarHBondContact CA-O 3.34Å; F500-L526 HydrophobicContact CB-CB 3.74Å; F500-L526 HydrophobicContact CB-CD2 3.93Å; F500-L526 HydrophobicContact CB-CG 4.06Å; F500-L526 WeakPolarHBondContact CB-O 3.49Å; M501-L526 PolarHBondContact N-O 2.93Å; K524-L526 VanDerWaalsContact C-N 3.3Å; K524-L526 PolarHBondContact O-N 3.36Å
527	L	95.3	Very high	93	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	114.1	170.9	179.1	58.2	0	0	0	110	T476 L477 L478 M501 I503 A515 F519 M541	T476-L527 PolarHBondContact O-N 3.16Å; L477-L527 HydrophobicContact CD1-CB 4.12Å; L477-L527 HydrophobicContact CD1-CD2 4Å; L477-L527 HydrophobicContact CD1-CG 3.93Å; L478-L527 PolarHBondContact N-O 2.91Å; M501-L527 HydrophobicContact CB-CD1 4.12Å; M501-L527 WeakPolarHBondContact O-CA 3.46Å; I503-L527 HydrophobicContact CD1-CD1 4.01Å; I503-L527 HydrophobicContact CD1-CD2 4.03Å; I503-L527 HydrophobicContact CD1-CG 4.18Å; I503-L527 HydrophobicContact CG1-CD1 4.01Å; I503-L527 HydrophobicContact CG1-CG 4.49Å; I503-L527 HydrophobicContact CG2-CD1 4.38Å; A515-L527 HydrophobicContact CB-CD1 4.29Å; F519-L527 HydrophobicContact CB-CB 4.31Å; F519-L527 HydrophobicContact CB-CD2 4.2Å; F519-L527 HydrophobicContact CD1-CB 4.09Å; F519-L527 HydrophobicContact CD1-CD2 3.71Å; F519-L527 HydrophobicContact CD2-CB 3.49Å; F519-L527 VanDerWaalsContact CD2-CB 3.49Å; F519-L527 HydrophobicContact CE1-CB 4.23Å; F519-L527 HydrophobicContact CE1-CD2 4.17Å; F519-L527 HydrophobicContact CE2-CB 3.66Å; F519-L527 HydrophobicContact CG-CB 3.7Å; F519-L527 HydrophobicContact CG-CD2 3.92Å; F519-L527 HydrophobicContact CG-CG 4.42Å; F519-L527 HydrophobicContact CZ-CB 4.03Å; L527-M541 HydrophobicContact CD2-SD 4.43Å
528	L	96.9	Very high	92.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.3	178.7	174.1	65.5	0	0	0	110.5	L478 V480 F486 I489 R490 L493 F500 M501 H502 I503	L478-L528 HydrophobicContact CB-CD1 4.3Å; L478-L528 HydrophobicContact CD2-CD1 3.83Å; L478-L528 HydrophobicContact CG-CD1 3.68Å; L478-L528 WeakPolarHBondContact O-CA 3.34Å; V480-L528 HydrophobicContact CG2-CD1 3.59Å; F486-L528 HydrophobicContact CD2-CD1 3.95Å; F486-L528 HydrophobicContact CD2-CD2 3.91Å; F486-L528 HydrophobicContact CD2-CG 3.6Å; F486-L528 HydrophobicContact CE2-CD1 4.39Å; F486-L528 HydrophobicContact CE2-CD2 3.92Å; F486-L528 HydrophobicContact CE2-CG 3.58Å; F486-L528 HydrophobicContact CG-CD2 4.49Å; F486-L528 HydrophobicContact CZ-CD2 4.47Å; I489-L528 HydrophobicContact CG2-CD1 4.04Å; I489-L528 HydrophobicContact CG2-CD2 4.17Å; R490-L528 HydrophobicContact CB-CD2 3.74Å; R490-L528 HydrophobicContact CG-CD2 4.43Å; L493-L528 HydrophobicContact CD1-CD2 4.39Å; F500-L528 HydrophobicContact CD2-CB 4.28Å; F500-L528 HydrophobicContact CE2-CD2 4.09Å; M501-L528 PolarHBondContact O-N 2.81Å; H502-L528 CarbonylContact C-O 3.59Å; H502-L528 VanDerWaalsContact CA-O 3.25Å; H502-L528 WeakPolarHBondContact CA-O 3.38Å; H502-L528 HydrophobicContact CB-CB 4Å; H502-L528 HydrophobicContact CB-CD2 4.19Å; H502-L528 HydrophobicContact CB-CG 4.35Å; I503-L528 PolarHBondContact N-O 2.85Å
529	M	97.4	Very high	92.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.5	-173.1	-178.6	167.6	72.9	0	0	113.1	L477 L478 Y479 V480 I503 F533 Y534 M541 L562	L477-M529 HydrophobicContact CD1-CB 4.27Å; L477-M529 HydrophobicContact CD1-CE 4.32Å; L477-M529 HydrophobicContact CD2-CE 4.24Å; L478-M529 PolarHBondContact O-N 2.83Å; Y479-M529 HydrophobicContact CD2-CE 3.78Å; Y479-M529 HydrophobicContact CE2-CE 4.16Å; V480-M529 PolarHBondContact N-O 3.47Å; I503-M529 HydrophobicContact CD1-CB 4.21Å; I503-M529 HydrophobicContact CD1-CG 4.07Å; I503-M529 HydrophobicContact CD1-SD 3.94Å; I503-M529 HydrophobicContact CG1-CB 3.9Å; I503-M529 HydrophobicContact CG1-CG 3.97Å; I503-M529 WeakPolarHBondContact O-CA 3.26Å; M529-F533 HydrophobicContact CG-CD1 3.98Å; M529-F533 HydrophobicContact SD-CD1 3.96Å; M529-F533 HydrophobicContact SD-CE1 4.39Å; M529-Y534 HydrophobicContact CE-CD2 3.96Å; M529-Y534 HydrophobicContact CE-CG 4Å; M529-Y534 HydrophobicContact SD-CD2 4.23Å; M529-Y534 HydrophobicContact SD-CG 4.47Å; M529-M541 HydrophobicContact SD-CE 3.68Å; M529-M541 HydrophobicContact SD-CG 4.32Å; M529-L562 HydrophobicContact CE-CD1 4.27Å; M529-L562 HydrophobicContact CE-CD2 3.99Å
530	T	97.7	Very high	92.5	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	149.4	170.4	66.3	0	0	0	0	112.9	V480 Y483 F486 I503 E505 R532 F533 Y534	V480-T530 WeakPolarHBondContact O-CA 3.21Å; Y483-T530 HydrophobicContact CD2-CG2 4.17Å; F486-T530 HydrophobicContact CB-CG2 3.96Å; F486-T530 HydrophobicContact CD1-CG2 3.97Å; F486-T530 HydrophobicContact CD2-CG2 3.31Å; F486-T530 HydrophobicContact CE1-CG2 4.28Å; F486-T530 HydrophobicContact CE2-CG2 3.64Å; F486-T530 HydrophobicContact CG-CG2 3.49Å; F486-T530 VanDerWaalsContact CG-CG2 3.49Å; F486-T530 HydrophobicContact CZ-CG2 4.12Å; I503-T530 PolarHBondContact O-N 3.32Å; E505-T530 WeakPolarHBondContact OE2-CB 3.38Å; E505-T530 PolarHBondContact OE2-OG1 2.83Å; T530-R532 PolarHBondContact O-N 3.36Å; T530-F533 PolarHBondContact O-N 3.21Å; T530-F533 VanDerWaalsContact OG1-CB 3.29Å; T530-F533 WeakPolarHBondContact OG1-CB 3.28Å; T530-F533 PolarHBondContact OG1-N 2.85Å; T530-Y534 PolarHBondContact O-N 3.46Å
531	E	97.2	Very high	92.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-44.7	172	173.5	152.2	-134.5	0	0	112.1	M347 Y479 V480 P481 F533 Y534 F535 T554 F558	M347-E531 HydrophobicContact CE-CG 3.76Å; M347-E531 HydrophobicContact SD-CG 3.94Å; Y479-E531 HydrophobicContact CE1-CB 4.13Å; Y479-E531 VanDerWaalsContact OH-CB 3.28Å; Y479-E531 WeakPolarHBondContact OH-CB 3.27Å; Y479-E531 WeakPolarHBondContact OH-CG 3.37Å; Y479-E531 PolarHBondContact OH-OE1 2.82Å; V480-E531 PolarHBondContact O-N 2.98Å; V480-E531 VanDerWaalsContact O-N 3.11Å; P481-E531 HydrophobicContact CB-CB 4.44Å; P481-E531 WeakPolarHBondContact CB-OE2 3.5Å; E531-F533 VanDerWaalsContact C-N 3.29Å; E531-F533 PolarHBondContact O-N 2.98Å; E531-Y534 CarbonylContact O-C 3.5Å; E531-Y534 PolarHBondContact O-N 3.24Å; E531-F535 WeakPolarHBondContact O-CB 3.38Å; E531-F535 PolarHBondContact O-N 3.27Å; E531-T554 VanDerWaalsContact CD-N 3.33Å; E531-T554 PolarHBondContact OE1-N 2.96Å; E531-T554 WeakPolarHBondContact OE2-CB 3.44Å; E531-T554 PolarHBondContact OE2-N 2.92Å; E531-T554 PolarHBondContact OE2-OG1 3.05Å; E531-F558 HydrophobicContact CG-CD2 4.43Å; E531-F558 HydrophobicContact CG-CE2 4.43Å
532	R	95.8	Very high	92.3	Very high	55 Å²	55	28.4 Å²	28.4	21%	0.208	14%	0.139	C	C	.	.	H	α-helix	trans	-56.9	-41.4	176.9	-70.5	-162.4	-167	103.5	3.7	112.8	M347 Q348 E505 T530 Y534 F535 Y536	M347-R532 VanDerWaalsContact O-CD 3.3Å; M347-R532 WeakPolarHBondContact O-CD 3.16Å; M347-R532 HydrophobicContact SD-CG 4.01Å; Q348-R532 PolarHBondContact O-NE 2.86Å; Q348-R532 PolarHBondContact O-NH2 3.32Å; E505-R532 HydrophobicContact CB-CB 4.18Å; E505-R532 HydrophobicContact CG-CB 4.36Å; E505-R532 WeakPolarHBondContact OE1-CD 3.45Å; E505-R532 IonicContact OE1-CZ 3.08Å; E505-R532 IonicContact OE1-NH1 3.78Å; E505-R532 PolarHBondContact OE1-NH1 2.78Å; T530-R532 PolarHBondContact O-N 3.36Å; R532-Y534 VanDerWaalsContact C-N 3.32Å; R532-Y534 PolarHBondContact O-N 3.16Å; R532-F535 WeakPolarHBondContact O-CB 3.48Å; R532-F535 PolarHBondContact O-N 3.45Å; R532-Y536 WeakPolarHBondContact O-CD2 3.33Å; R532-Y536 PolarHBondContact O-N 2.75Å
533	F	96.1	Very high	92.3	Very high	1 Å²	1	27 Å²	27	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-44.1	176.4	177.7	-92	0	0	0	111.5	I503 S504 V512 M529 T530 E531 F535 H537 Y539 M541	I503-F533 HydrophobicContact CB-CD1 4.34Å; I503-F533 HydrophobicContact CB-CE1 4.25Å; I503-F533 HydrophobicContact CB-CZ 4.34Å; I503-F533 HydrophobicContact CD1-CD1 4.02Å; I503-F533 HydrophobicContact CD1-CE1 3.67Å; I503-F533 HydrophobicContact CD1-CZ 4.35Å; I503-F533 HydrophobicContact CG1-CD1 4.14Å; I503-F533 HydrophobicContact CG1-CE1 4.17Å; S504-F533 VanDerWaalsContact O-CD2 3.3Å; S504-F533 WeakPolarHBondContact O-CD2 3.49Å; V512-F533 HydrophobicContact CB-CZ 4.48Å; V512-F533 HydrophobicContact CG1-CE2 4.14Å; V512-F533 HydrophobicContact CG1-CZ 3.61Å; V512-F533 HydrophobicContact CG2-CE2 3.68Å; V512-F533 HydrophobicContact CG2-CZ 3.99Å; M529-F533 HydrophobicContact CG-CD1 3.98Å; M529-F533 HydrophobicContact SD-CD1 3.96Å; M529-F533 HydrophobicContact SD-CE1 4.39Å; T530-F533 PolarHBondContact O-N 3.21Å; T530-F533 VanDerWaalsContact OG1-CB 3.29Å; T530-F533 WeakPolarHBondContact OG1-CB 3.28Å; T530-F533 PolarHBondContact OG1-N 2.85Å; E531-F533 VanDerWaalsContact C-N 3.29Å; E531-F533 PolarHBondContact O-N 2.98Å; F533-F535 VanDerWaalsContact C-N 3.33Å; F533-H537 AromaticContact CD2-CD2 3.47Å; F533-H537 VanDerWaalsContact CD2-CD2 3.47Å; F533-H537 WeakPolarHBondContact CD2-CD2 3.22Å; F533-H537 AromaticContact CD2-NE2 3.95Å; F533-H537 AromaticContact CE2-CD2 3.35Å; F533-H537 WeakPolarHBondContact CE2-CD2 3.41Å; F533-H537 AromaticContact CE2-NE2 3.75Å; F533-H537 HydrophobicContact CZ-CB 4.35Å; F533-H537 AromaticContact CZ-CD2 3.96Å; F533-H537 WeakPolarHBondContact O-CB 3.48Å; F533-H537 PolarHBondContact O-CD2 3.36Å; F533-H537 PolarHBondContact O-N 2.85Å; F533-H537 VanDerWaalsContact O-N 3.17Å; F533-Y539 AromaticContact CE1-CD2 3.95Å; F533-Y539 HydrophobicContact CE1-CD2 3.95Å; F533-Y539 HydrophobicContact CE1-CE2 4.45Å; F533-Y539 HydrophobicContact CE2-CE2 4.38Å; F533-Y539 AromaticContact CZ-CD2 3.6Å; F533-Y539 HydrophobicContact CZ-CD2 3.6Å; F533-Y539 AromaticContact CZ-CE2 3.68Å; F533-Y539 HydrophobicContact CZ-CE2 3.68Å; F533-M541 HydrophobicContact CD1-CE 4.5Å; F533-M541 HydrophobicContact CE1-CE 3.71Å
534	Y	95.7	Very high	92.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.5	-31	177.4	-170.2	-119.6	0	0	0	112.9	Y479 M529 T530 E531 R532 R538 F558 E561 L562 M565	Y479-Y534 HydrophobicContact CE2-CD1 4.25Å; M529-Y534 HydrophobicContact CE-CD2 3.96Å; M529-Y534 HydrophobicContact CE-CG 4Å; M529-Y534 HydrophobicContact SD-CD2 4.23Å; M529-Y534 HydrophobicContact SD-CG 4.47Å; T530-Y534 PolarHBondContact O-N 3.46Å; E531-Y534 CarbonylContact O-C 3.5Å; E531-Y534 PolarHBondContact O-N 3.24Å; R532-Y534 VanDerWaalsContact C-N 3.32Å; R532-Y534 PolarHBondContact O-N 3.16Å; Y534-R538 VanDerWaalsContact CE1-NH1 3.32Å; Y534-R538 VanDerWaalsContact O-CA 3.3Å; Y534-R538 WeakPolarHBondContact O-CA 3.26Å; Y534-R538 PolarHBondContact O-N 3.4Å; Y534-F558 HydrophobicContact CD1-CB 4.21Å; Y534-F558 AromaticContact CD1-CD2 3.65Å; Y534-F558 HydrophobicContact CD1-CD2 3.65Å; Y534-F558 HydrophobicContact CD1-CE2 4.28Å; Y534-F558 HydrophobicContact CD1-CG 4.1Å; Y534-F558 HydrophobicContact CE1-CB 3.96Å; Y534-F558 HydrophobicContact CE1-CD2 4.11Å; Y534-F558 HydrophobicContact CE1-CG 4.07Å; Y534-E561 WeakPolarHBondContact OH-CB 3.42Å; Y534-L562 HydrophobicContact CD1-CD1 4.33Å; Y534-L562 HydrophobicContact CD2-CD2 4.35Å; Y534-L562 HydrophobicContact CE1-CD1 4.11Å; Y534-L562 HydrophobicContact CE1-CD2 4.07Å; Y534-L562 HydrophobicContact CE1-CG 3.88Å; Y534-L562 HydrophobicContact CE2-CD2 3.78Å; Y534-L562 HydrophobicContact CE2-CG 4.48Å; Y534-M565 HydrophobicContact CE2-CE 4.32Å; Y534-M565 VanDerWaalsContact OH-CE 3.25Å; Y534-M565 WeakPolarHBondContact OH-CE 3.2Å
535	F	95	Very high	92.2	Very high	7 Å²	7	21 Å²	21	3%	0.031	10%	0.097	C	C	.	.	H	α-helix	trans	-63.3	-50.6	173.6	179.3	-92.6	0	0	0	112.7	F272 L275 F276 V344 M347 E531 R532 F533 Y555 F558	F272-F535 VanDerWaalsContact CE2-O 3.28Å; F272-F535 WeakPolarHBondContact CE2-O 3.32Å; L275-F535 HydrophobicContact CD2-CE1 4.28Å; L275-F535 HydrophobicContact CD2-CE2 3.95Å; L275-F535 HydrophobicContact CD2-CZ 3.55Å; F276-F535 HydrophobicContact CE2-CE1 4.41Å; F276-F535 WeakPolarHBondContact CE2-O 3.24Å; F276-F535 AromaticContact CZ-CD1 3.98Å; F276-F535 HydrophobicContact CZ-CD1 3.98Å; F276-F535 AromaticContact CZ-CE1 3.7Å; F276-F535 HydrophobicContact CZ-CE1 3.7Å; F276-F535 HydrophobicContact CZ-CZ 4.41Å; V344-F535 HydrophobicContact CB-CZ 4.47Å; V344-F535 HydrophobicContact CG1-CE1 4.33Å; V344-F535 HydrophobicContact CG1-CZ 3.97Å; V344-F535 HydrophobicContact CG2-CZ 4.32Å; M347-F535 HydrophobicContact CB-CD1 3.64Å; M347-F535 HydrophobicContact CB-CD2 4.13Å; M347-F535 HydrophobicContact CB-CE1 3.56Å; M347-F535 HydrophobicContact CB-CE2 4.1Å; M347-F535 HydrophobicContact CB-CG 3.93Å; M347-F535 HydrophobicContact CB-CZ 3.81Å; M347-F535 HydrophobicContact CG-CB 4.44Å; M347-F535 HydrophobicContact CG-CD1 4.03Å; M347-F535 HydrophobicContact CG-CD2 3.59Å; M347-F535 HydrophobicContact CG-CE1 4.1Å; M347-F535 HydrophobicContact CG-CE2 3.7Å; M347-F535 HydrophobicContact CG-CG 3.77Å; M347-F535 HydrophobicContact CG-CZ 3.94Å; M347-F535 HydrophobicContact SD-CB 4.39Å; M347-F535 HydrophobicContact SD-CD2 4.37Å; M347-F535 HydrophobicContact SD-CG 4.35Å; E531-F535 WeakPolarHBondContact O-CB 3.38Å; E531-F535 PolarHBondContact O-N 3.27Å; R532-F535 WeakPolarHBondContact O-CB 3.48Å; R532-F535 PolarHBondContact O-N 3.45Å; F533-F535 VanDerWaalsContact C-N 3.33Å; F535-Y555 HydrophobicContact CD2-CD2 4.3Å; F535-Y555 AromaticContact CD2-CE2 3.75Å; F535-Y555 HydrophobicContact CD2-CE2 3.75Å; F535-Y555 AromaticContact CE2-CE2 3.65Å; F535-Y555 HydrophobicContact CE2-CE2 3.65Å; F535-Y555 AromaticContact CE2-CZ 3.76Å; F535-F558 HydrophobicContact CB-CE2 4.08Å; F535-F558 HydrophobicContact CB-CZ 4.45Å; F535-F558 HydrophobicContact CD2-CE2 4.14Å; F535-F558 AromaticContact CD2-CZ 3.79Å; F535-F558 HydrophobicContact CD2-CZ 3.79Å
536	Y	92.9	Very high	92.3	Very high	60 Å²	60	19.1 Å²	19.1	24%	0.235	9%	0.085	C	C	.	.	H	α-helix	trans	-79.2	-28	-176.7	-72.7	-71.7	0	0	0	114.5	F211 F272 F276 M347 Q348 R532	F211-Y536 HydrophobicContact CZ-CE1 4.33Å; F272-Y536 WeakPolarHBondContact CE2-O 3.45Å; F272-Y536 WeakPolarHBondContact CZ-O 3.33Å; F276-Y536 AromaticContact CE1-CD1 3.56Å; F276-Y536 HydrophobicContact CE1-CD1 3.56Å; F276-Y536 AromaticContact CE1-CE1 3.87Å; F276-Y536 HydrophobicContact CE1-CE1 3.87Å; F276-Y536 AromaticContact CZ-CD1 3.54Å; F276-Y536 HydrophobicContact CZ-CD1 3.54Å; F276-Y536 AromaticContact CZ-CE1 3.98Å; F276-Y536 HydrophobicContact CZ-CE1 3.98Å; F276-Y536 HydrophobicContact CZ-CG 4.38Å; M347-Y536 VanDerWaalsContact O-CE2 3.26Å; M347-Y536 WeakPolarHBondContact O-CE2 3.46Å; M347-Y536 PolarHBondContact O-OH 2.66Å; Q348-Y536 WeakPolarHBondContact CG-OH 3.29Å; R532-Y536 WeakPolarHBondContact O-CD2 3.33Å; R532-Y536 PolarHBondContact O-N 2.75Å
537	H	91.1	Very high	92.4	Very high	52 Å²	52	19 Å²	19	24%	0.241	8%	0.084	C	C	.	.	H	α-helix	trans	-108.9	-26.6	-172.9	-66.1	-78.3	0	0	0	115.1	F533 Y539	F533-H537 AromaticContact CD2-CD2 3.47Å; F533-H537 VanDerWaalsContact CD2-CD2 3.47Å; F533-H537 WeakPolarHBondContact CD2-CD2 3.22Å; F533-H537 AromaticContact CD2-NE2 3.95Å; F533-H537 AromaticContact CE2-CD2 3.35Å; F533-H537 WeakPolarHBondContact CE2-CD2 3.41Å; F533-H537 AromaticContact CE2-NE2 3.75Å; F533-H537 HydrophobicContact CZ-CB 4.35Å; F533-H537 AromaticContact CZ-CD2 3.96Å; F533-H537 WeakPolarHBondContact O-CB 3.48Å; F533-H537 PolarHBondContact O-CD2 3.36Å; F533-H537 PolarHBondContact O-N 2.85Å; F533-H537 VanDerWaalsContact O-N 3.17Å; H537-Y539 HydrophobicContact CB-CD1 4.15Å; H537-Y539 HydrophobicContact CB-CD2 3.63Å; H537-Y539 HydrophobicContact CB-CE1 4.06Å; H537-Y539 HydrophobicContact CB-CE2 3.48Å; H537-Y539 VanDerWaalsContact CB-CE2 3.48Å; H537-Y539 HydrophobicContact CB-CG 3.95Å; H537-Y539 AromaticContact CG-CE2 3.64Å; H537-Y539 AromaticContact CG-CZ 3.84Å; H537-Y539 AromaticContact ND1-CE2 3.69Å; H537-Y539 AromaticContact ND1-CZ 3.51Å; H537-Y539 PolarHBondContact ND1-OH 3.45Å; H537-Y539 VanDerWaalsContact ND1-OH 3.16Å; H537-Y539 WeakPolarHBondContact O-CD1 3.22Å; H537-Y539 PolarHBondContact O-N 2.99Å
538	R	90.1	Very high	92.4	Very high	17 Å²	17	19.1 Å²	19.1	6%	0.064	8%	0.084	C	C	.	.			trans	43.3	33.4	-176.8	-154.5	46.4	154.1	-130.8	-6.6	115.9	P269 F272 Y534 N557 F558 E561	P269-R538 HydrophobicContact CG-CG 3.9Å; F272-R538 HydrophobicContact CB-CG 4.43Å; F272-R538 HydrophobicContact CD1-CB 4.41Å; F272-R538 HydrophobicContact CD2-CB 3.56Å; F272-R538 HydrophobicContact CD2-CG 4.11Å; F272-R538 HydrophobicContact CE2-CB 3.72Å; F272-R538 HydrophobicContact CG-CB 3.93Å; F272-R538 HydrophobicContact CG-CG 4.21Å; F272-R538 HydrophobicContact CZ-CB 4.25Å; Y534-R538 VanDerWaalsContact CE1-NH1 3.32Å; Y534-R538 VanDerWaalsContact O-CA 3.3Å; Y534-R538 WeakPolarHBondContact O-CA 3.26Å; Y534-R538 PolarHBondContact O-N 3.4Å; R538-N557 PolarHBondContact NH2-ND2 3.48Å; R538-F558 VanDerWaalsContact NH1-CG 3.3Å; R538-F558 VanDerWaalsContact NH2-CE1 3.28Å; R538-E561 IonicContact CZ-OE1 3.95Å; R538-E561 IonicContact CZ-OE2 3.04Å; R538-E561 IonicContact NE-OE1 3.29Å; R538-E561 IonicContact NE-OE2 3.25Å; R538-E561 PolarHBondContact NE-OE2 3.09Å; R538-E561 IonicContact NH2-OE1 3.76Å; R538-E561 PolarHBondContact NH2-OE1 2.99Å; R538-E561 IonicContact NH2-OE2 2.98Å; R538-E561 PolarHBondContact NH2-OE2 2.92Å
539	Y	89.3	Confident	92.4	Very high	26 Å²	26	19.1 Å²	19.1	10%	0.102	9%	0.085	C	C	.	.			trans	-68.4	133.6	-177.3	-68.4	-33.7	0	0	0	112.3	E258 V512 F533 H537 M541	E258-Y539 HydrophobicContact CB-CE1 4.39Å; E258-Y539 WeakPolarHBondContact OE2-CE1 3.28Å; E258-Y539 VanDerWaalsContact OE2-CZ 3.25Å; E258-Y539 PolarHBondContact OE2-OH 2.98Å; V512-Y539 HydrophobicContact CG1-CD2 4.19Å; V512-Y539 HydrophobicContact CG1-CE2 3.8Å; F533-Y539 AromaticContact CE1-CD2 3.95Å; F533-Y539 HydrophobicContact CE1-CD2 3.95Å; F533-Y539 HydrophobicContact CE1-CE2 4.45Å; F533-Y539 HydrophobicContact CE2-CE2 4.38Å; F533-Y539 AromaticContact CZ-CD2 3.6Å; F533-Y539 HydrophobicContact CZ-CD2 3.6Å; F533-Y539 AromaticContact CZ-CE2 3.68Å; F533-Y539 HydrophobicContact CZ-CE2 3.68Å; H537-Y539 HydrophobicContact CB-CD1 4.15Å; H537-Y539 HydrophobicContact CB-CD2 3.63Å; H537-Y539 HydrophobicContact CB-CE1 4.06Å; H537-Y539 HydrophobicContact CB-CE2 3.48Å; H537-Y539 VanDerWaalsContact CB-CE2 3.48Å; H537-Y539 HydrophobicContact CB-CG 3.95Å; H537-Y539 AromaticContact CG-CE2 3.64Å; H537-Y539 AromaticContact CG-CZ 3.84Å; H537-Y539 AromaticContact ND1-CE2 3.69Å; H537-Y539 AromaticContact ND1-CZ 3.51Å; H537-Y539 PolarHBondContact ND1-OH 3.45Å; H537-Y539 VanDerWaalsContact ND1-OH 3.16Å; H537-Y539 WeakPolarHBondContact O-CD1 3.22Å; H537-Y539 PolarHBondContact O-N 2.99Å; Y539-M541 HydrophobicContact CD2-CE 4.43Å; Y539-M541 PolarHBondContact O-N 2.96Å
540	V	88	Confident	92.4	Very high	48 Å²	48	19.2 Å²	19.2	29%	0.291	9%	0.085	S	C	.	.			trans	-63	122.2	167.1	-176.5	0	0	0	0	110	R516 R542 M565	R516-V540 PolarHBondContact NH2-O 3.49Å; V540-R542 HydrophobicContact CG1-CG 3.97Å; V540-M565 HydrophobicContact CB-SD 4.36Å; V540-M565 HydrophobicContact CG1-CG 4.15Å; V540-M565 HydrophobicContact CG1-SD 4.11Å; V540-M565 HydrophobicContact CG2-CE 4.25Å
541	M	87.9	Confident	92.4	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.015	9%	0.089	C	C	.	.			trans	-96.8	96.4	176.5	-62	-50.6	171.8	0	0	109.8	L477 I503 R516 L527 M529 F533 Y539	L477-M541 HydrophobicContact CD2-CB 4.04Å; L477-M541 HydrophobicContact CD2-CG 4.3Å; I503-M541 HydrophobicContact CD1-CE 3.62Å; I503-M541 HydrophobicContact CD1-SD 4.28Å; R516-M541 HydrophobicContact CG-SD 3.99Å; L527-M541 HydrophobicContact CD2-SD 4.43Å; M529-M541 HydrophobicContact SD-CE 3.68Å; M529-M541 HydrophobicContact SD-CG 4.32Å; F533-M541 HydrophobicContact CD1-CE 4.5Å; F533-M541 HydrophobicContact CE1-CE 3.71Å; Y539-M541 HydrophobicContact CD2-CE 4.43Å; Y539-M541 PolarHBondContact O-N 2.96Å
542	R	85.9	Confident	92.3	Very high	73 Å²	73	20.1 Å²	20.1	28%	0.275	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	150.3	-177.3	-64.3	176.8	173.9	-134.1	-3	111.2	Y520 V540 A544 D568	Y520-R542 HydrophobicContact CD2-CB 3.68Å; Y520-R542 HydrophobicContact CE2-CB 4Å; V540-R542 HydrophobicContact CG1-CG 3.97Å; R542-A544 VanDerWaalsContact C-N 3.27Å; R542-D568 WeakPolarHBondContact CD-OD2 3.32Å; R542-D568 IonicContact NE-OD2 3.78Å; R542-D568 IonicContact NH1-OD1 3.09Å; R542-D568 IonicContact NH1-OD2 2.8Å; R542-D568 PolarHBondContact NH1-OD2 3.12Å
543	G	85.4	Confident	92.4	Very high	4 Å²	4	17.5 Å²	17.5	4%	0.041	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	28.3	-179.6	0	0	0	0	0	112.7	H475 F519	H475-G543 WeakPolarHBondContact CB-O 3.4Å; H475-G543 PolarHBondContact ND1-O 2.78Å; F519-G543 WeakPolarHBondContact CE1-O 3.26Å
544	A	89.5	Confident	92.3	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	8%	0.084	C	C	.	.			trans	-85.3	124.8	158.2	0	0	0	0	0	107.7	H475 L477 F519 R542 L547 V566	H475-A544 CarbonylContact O-C 3.56Å; H475-A544 WeakPolarHBondContact O-CA 3.45Å; L477-A544 HydrophobicContact CB-CB 3.98Å; F519-A544 HydrophobicContact CE1-CB 3.88Å; F519-A544 HydrophobicContact CZ-CB 3.97Å; R542-A544 VanDerWaalsContact C-N 3.27Å; A544-L547 HydrophobicContact CB-CD2 4.39Å; A544-V566 CarbonylContact O-C 3.6Å; A544-V566 WeakPolarHBondContact O-CA 3.16Å
545	H	87.7	Confident	92.2	Very high	45 Å²	45	19 Å²	19	21%	0.208	9%	0.087	C	C	.	.			trans	-99.2	-31.6	174.6	-66.8	180	0	0	0	111.2	H475 V566 F577 P579	H475-H545 HydrophobicContact CB-CB 3.67Å; H475-H545 AromaticContact CD2-CE1 3.56Å; H475-H545 AromaticContact CD2-ND1 3.63Å; H475-H545 AromaticContact CG-CE1 3.82Å; H475-H545 AromaticContact CG-CG 3.99Å; H475-H545 AromaticContact CG-ND1 3.75Å; H475-H545 PolarHBondContact O-N 3.31Å; H545-V566 WeakPolarHBondContact O-CG1 3.18Å; H545-F577 HydrophobicContact CB-CE2 3.67Å; H545-F577 HydrophobicContact CB-CZ 4.43Å; H545-F577 AromaticContact CD2-CE2 3.6Å; H545-F577 AromaticContact CG-CE2 3.52Å; H545-P579 VanDerWaalsContact O-CA 3.28Å; H545-P579 WeakPolarHBondContact O-CA 3.43Å; H545-P579 WeakPolarHBondContact O-CB 3.28Å
546	N	90.7	Very high	92.1	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.011	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140	-176.8	-62.9	-69.8	0	0	0	109.5	Y467 Q472 S474 H475 T476 L477 T580	Y467-N546 HydrophobicContact CE1-CB 4.4Å; Q472-N546 PolarHBondContact O-ND2 3.17Å; S474-N546 PolarHBondContact O-ND2 3.43Å; H475-N546 PolarHBondContact O-N 3.5Å; T476-N546 CarbonylContact C-O 3.56Å; T476-N546 WeakPolarHBondContact CA-O 3.36Å; T476-N546 HydrophobicContact CG2-CB 4.48Å; T476-N546 WeakPolarHBondContact OG1-CB 3.27Å; L477-N546 PolarHBondContact N-O 2.94Å; N546-T580 CarbonylContact C-O 3.56Å; N546-T580 WeakPolarHBondContact CA-O 3.13Å; N546-T580 PolarHBondContact OD1-N 2.73Å; N546-T580 PolarHBondContact OD1-OG1 2.99Å
547	L	94.5	Very high	92	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.016	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.6	172.8	-59.3	-175.3	0	0	0	110.1	L436 L477 A544 F549 L562 C563 V566 T580 C581 A582	L436-L547 HydrophobicContact CD2-CD1 4.49Å; L477-L547 HydrophobicContact CB-CD2 3.9Å; L477-L547 HydrophobicContact CD2-CD2 3.98Å; L477-L547 HydrophobicContact CG-CD2 4.39Å; A544-L547 HydrophobicContact CB-CD2 4.39Å; L547-F549 HydrophobicContact CB-CD2 4.43Å; L547-F549 HydrophobicContact CB-CE2 3.96Å; L547-F549 HydrophobicContact CD1-CE2 3.98Å; L547-F549 HydrophobicContact CD1-CZ 4.32Å; L547-L562 HydrophobicContact CD1-CB 4.31Å; L547-C563 HydrophobicContact CD1-CB 4.41Å; L547-V566 HydrophobicContact CD1-CG2 3.65Å; L547-V566 HydrophobicContact CD2-CG2 3.91Å; L547-V566 HydrophobicContact CG-CG2 3.59Å; L547-T580 PolarHBondContact N-O 2.62Å; L547-C581 HydrophobicContact CB-CB 4.3Å; L547-C581 WeakPolarHBondContact O-CA 3.45Å; L547-A582 PolarHBondContact O-N 2.9Å
548	L	95.4	Very high	92.2	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	106.5	174.3	-178.6	56.1	0	0	0	109.5	F459 V463 Y467 T476 L477 L478 Y479 A582	F459-L548 HydrophobicContact CE2-CD2 3.84Å; F459-L548 HydrophobicContact CE2-CG 4.43Å; V463-L548 HydrophobicContact CG1-CD1 3.71Å; V463-L548 HydrophobicContact CG1-CD2 4.35Å; Y467-L548 HydrophobicContact CD2-CD2 3.95Å; Y467-L548 HydrophobicContact CE1-CD2 4.42Å; Y467-L548 HydrophobicContact CE2-CD1 4.17Å; Y467-L548 HydrophobicContact CE2-CD2 3.72Å; Y467-L548 HydrophobicContact CE2-CG 4.47Å; Y467-L548 HydrophobicContact CG-CD2 4.42Å; T476-L548 HydrophobicContact CG2-CB 4.05Å; L477-L548 PolarHBondContact O-N 3.42Å; L478-L548 CarbonylContact C-O 3.53Å; L478-L548 WeakPolarHBondContact CA-O 3.28Å; L478-L548 HydrophobicContact CD1-CB 4.18Å; L478-L548 HydrophobicContact CD1-CD2 4.06Å; L478-L548 HydrophobicContact CD1-CG 3.84Å; L478-L548 WeakPolarHBondContact CD1-O 3.32Å; Y479-L548 PolarHBondContact N-O 3.09Å; L548-A582 WeakPolarHBondContact CA-O 3.35Å; L548-A582 HydrophobicContact CD1-CB 3.66Å
549	F	97.5	Very high	92.5	Very high	1 Å²	1	15.4 Å²	15.4	0%	0.004	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	106.9	174.6	-65.9	-92.9	0	0	0	108.9	Y479 L547 Q551 P553 Y559 L562 A582 V583 I584	Y479-F549 AromaticContact CD1-CD1 3.6Å; Y479-F549 HydrophobicContact CD1-CD1 3.6Å; Y479-F549 AromaticContact CD1-CE1 3.98Å; Y479-F549 HydrophobicContact CD1-CE1 3.98Å; Y479-F549 HydrophobicContact CD2-CE1 4.41Å; Y479-F549 HydrophobicContact CE1-CD1 4.37Å; Y479-F549 AromaticContact CG-CD1 3.78Å; Y479-F549 HydrophobicContact CG-CD1 3.78Å; Y479-F549 AromaticContact CG-CE1 3.89Å; Y479-F549 HydrophobicContact CG-CE1 3.89Å; L547-F549 HydrophobicContact CB-CD2 4.43Å; L547-F549 HydrophobicContact CB-CE2 3.96Å; L547-F549 HydrophobicContact CD1-CE2 3.98Å; L547-F549 HydrophobicContact CD1-CZ 4.32Å; F549-Q551 PolarHBondContact O-N 2.84Å; F549-P553 HydrophobicContact CD1-CG 4.04Å; F549-P553 HydrophobicContact CE1-CG 3.79Å; F549-Y559 HydrophobicContact CD1-CD2 4.19Å; F549-Y559 HydrophobicContact CD2-CD2 4.01Å; F549-Y559 AromaticContact CD2-CE2 3.68Å; F549-Y559 HydrophobicContact CD2-CE2 3.68Å; F549-Y559 AromaticContact CE1-CD2 3.82Å; F549-Y559 HydrophobicContact CE1-CD2 3.82Å; F549-Y559 HydrophobicContact CE1-CE2 4.46Å; F549-Y559 AromaticContact CE2-CD2 3.6Å; F549-Y559 HydrophobicContact CE2-CD2 3.6Å; F549-Y559 AromaticContact CE2-CE2 3.48Å; F549-Y559 HydrophobicContact CE2-CE2 3.48Å; F549-Y559 VanDerWaalsContact CE2-CE2 3.48Å; F549-Y559 HydrophobicContact CG-CD2 4.29Å; F549-Y559 HydrophobicContact CG-CE2 4.25Å; F549-Y559 AromaticContact CZ-CD2 3.5Å; F549-Y559 HydrophobicContact CZ-CD2 3.5Å; F549-Y559 VanDerWaalsContact CZ-CD2 3.5Å; F549-Y559 AromaticContact CZ-CE2 3.91Å; F549-Y559 HydrophobicContact CZ-CE2 3.91Å; F549-Y559 HydrophobicContact CZ-CG 4.38Å; F549-L562 HydrophobicContact CE1-CD1 3.94Å; F549-L562 HydrophobicContact CZ-CB 4.12Å; F549-L562 HydrophobicContact CZ-CD1 4.11Å; F549-A582 PolarHBondContact N-O 3.41Å; F549-V583 HydrophobicContact CB-CB 4.48Å; F549-V583 HydrophobicContact CB-CG1 4.3Å; F549-V583 HydrophobicContact CB-CG2 4.23Å; F549-V583 HydrophobicContact CD2-CG2 4.1Å; F549-V583 HydrophobicContact CG-CG2 4.48Å; F549-I584 PolarHBondContact O-N 2.99Å
550	Y	97.5	Very high	92.6	Very high	1 Å²	1	14.2 Å²	14.2	0%	0.004	7%	0.072	C	C	.	.	S	Bend	trans	-61.5	-31.8	173.5	174.4	-99.1	0	0	0	111.8	R455 F456 F459 Y479 V480 D485 I489	R455-Y550 VanDerWaalsContact CD-O 3.28Å; R455-Y550 WeakPolarHBondContact CD-O 3.17Å; R455-Y550 HydrophobicContact CG-CD2 4.45Å; R455-Y550 HydrophobicContact CG-CE1 4.01Å; R455-Y550 HydrophobicContact CG-CE2 3.87Å; R455-Y550 PolarHBondContact NE-O 3.03Å; F456-Y550 WeakPolarHBondContact CA-OH 3.44Å; F456-Y550 PolarHBondContact N-OH 3.09Å; F459-Y550 HydrophobicContact CB-CD2 3.94Å; F459-Y550 HydrophobicContact CB-CE2 3.75Å; F459-Y550 HydrophobicContact CD1-CD2 4.25Å; F459-Y550 HydrophobicContact CD1-CE2 4.24Å; F459-Y550 AromaticContact CD2-CD2 3.81Å; F459-Y550 HydrophobicContact CD2-CD2 3.81Å; F459-Y550 HydrophobicContact CD2-CE2 4.44Å; F459-Y550 HydrophobicContact CE2-CD2 4.38Å; F459-Y550 AromaticContact CG-CD2 3.73Å; F459-Y550 HydrophobicContact CG-CD2 3.73Å; F459-Y550 AromaticContact CG-CE2 3.9Å; F459-Y550 HydrophobicContact CG-CE2 3.9Å; Y479-Y550 PolarHBondContact O-N 3.19Å; V480-Y550 HydrophobicContact CG1-CD1 3.86Å; V480-Y550 HydrophobicContact CG1-CE1 4.46Å; V480-Y550 HydrophobicContact CG1-CG 4.42Å; D485-Y550 HydrophobicContact CB-CD1 4.19Å; D485-Y550 HydrophobicContact CB-CE1 3.39Å; D485-Y550 WeakPolarHBondContact OD1-CE1 3.14Å; D485-Y550 PolarHBondContact OD1-OH 2.85Å; I489-Y550 HydrophobicContact CD1-CD1 4.29Å; I489-Y550 HydrophobicContact CD1-CD2 3.64Å; I489-Y550 HydrophobicContact CD1-CE1 4.41Å; I489-Y550 HydrophobicContact CD1-CE2 3.8Å; I489-Y550 HydrophobicContact CD1-CG 3.88Å; I489-Y550 HydrophobicContact CG1-CE2 4.49Å
551	Q	96.7	Very high	92.8	Very high	21 Å²	21	14 Å²	14	10%	0.098	7%	0.068	C	C	.	.	S	Bend	trans	-151.1	151.8	168.2	-175.5	-172.3	34.1	0	0	106.8	P481 F549 D589	P481-Q551 HydrophobicContact CG-CB 3.93Å; P481-Q551 HydrophobicContact CG-CG 4.36Å; F549-Q551 PolarHBondContact O-N 2.84Å; Q551-D589 WeakPolarHBondContact CG-OD1 3.45Å; Q551-D589 PolarHBondContact NE2-OD1 3.1Å
552	L	96.7	Very high	93.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.067	C	C	.	.			trans	-59.4	146.7	175.8	-76.8	176	0	0	0	112.4	F440 P481 Y559 V583 R592 L593 V596	F440-L552 HydrophobicContact CE1-CD1 4.46Å; F440-L552 HydrophobicContact CE1-CD2 4.25Å; P481-L552 WeakPolarHBondContact CG-O 3.38Å; L552-Y559 HydrophobicContact CD2-CD2 3.88Å; L552-Y559 HydrophobicContact CD2-CE2 3.96Å; L552-V583 HydrophobicContact CD1-CG1 4.46Å; L552-V583 HydrophobicContact CD2-CG1 3.49Å; L552-V583 VanDerWaalsContact CD2-CG1 3.49Å; L552-V583 HydrophobicContact CD2-CG2 4.31Å; L552-V583 HydrophobicContact CG-CG1 3.67Å; L552-R592 HydrophobicContact CB-CB 3.87Å; L552-R592 HydrophobicContact CD1-CB 4.41Å; L552-R592 VanDerWaalsContact O-CD 3.28Å; L552-R592 WeakPolarHBondContact O-CD 3.44Å; L552-R592 PolarHBondContact O-NH1 3.24Å; L552-L593 HydrophobicContact CD1-CB 4.08Å; L552-L593 HydrophobicContact CD1-CD1 4.05Å; L552-V596 HydrophobicContact CD1-CB 4.38Å; L552-V596 HydrophobicContact CD1-CG2 4.4Å; L552-V596 HydrophobicContact CD2-CG1 4.35Å; L552-V596 HydrophobicContact CD2-CG2 4.24Å
553	P	96.1	Very high	93.4	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.006	5%	0.054	C	C	.	.			trans	-55.8	149.7	172.3	-23.8	34.3	0	0	0	113	Y479 F549 Y555 F558 R592	Y479-P553 HydrophobicContact CD1-CG 4.31Å; Y479-P553 HydrophobicContact CE1-CB 3.94Å; Y479-P553 HydrophobicContact CE1-CG 3.65Å; F549-P553 HydrophobicContact CD1-CG 4.04Å; F549-P553 HydrophobicContact CE1-CG 3.79Å; P553-Y555 VanDerWaalsContact C-N 3.3Å; P553-Y555 WeakPolarHBondContact CB-O 3.34Å; P553-F558 HydrophobicContact CB-CB 3.91Å; P553-F558 HydrophobicContact CG-CB 4.22Å; P553-R592 WeakPolarHBondContact O-CD 3.48Å
554	T	94.1	Very high	93.6	Very high	17 Å²	17	12.9 Å²	12.9	10%	0.104	7%	0.067	C	C	.	.	S	Bend	trans	-66.7	-35.7	171.4	-48.4	0	0	0	0	110.5	L346 M347 I396 T398 E531	L346-T554 HydrophobicContact CD1-CG2 4.16Å; M347-T554 HydrophobicContact CE-CG2 4.05Å; I396-T554 HydrophobicContact CD1-CG2 3.78Å; I396-T554 WeakPolarHBondContact CD1-O 3.45Å; T398-T554 HydrophobicContact CG2-CG2 3.9Å; E531-T554 VanDerWaalsContact CD-N 3.33Å; E531-T554 PolarHBondContact OE1-N 2.96Å; E531-T554 WeakPolarHBondContact OE2-CB 3.44Å; E531-T554 PolarHBondContact OE2-N 2.92Å; E531-T554 PolarHBondContact OE2-OG1 3.05Å
555	Y	93.7	Very high	93.6	Very high	16 Å²	16	14 Å²	14	6%	0.063	7%	0.072	C	C	.	.	S	Bend	trans	-105	115.1	176.2	-66.4	-88.2	0	0	0	111.1	D343 M347 I396 F535 P553 N557 F558	D343-Y555 VanDerWaalsContact C-OH 3.23Å; D343-Y555 HydrophobicContact CB-CE1 4.29Å; D343-Y555 WeakPolarHBondContact CB-OH 3.49Å; D343-Y555 PolarHBondContact O-OH 2.93Å; D343-Y555 VanDerWaalsContact O-OH 3.11Å; D343-Y555 PolarHBondContact OD2-OH 3.13Å; M347-Y555 HydrophobicContact CE-CD2 4.12Å; M347-Y555 HydrophobicContact CE-CE2 3.77Å; M347-Y555 HydrophobicContact CG-CE2 3.89Å; M347-Y555 HydrophobicContact SD-CE2 4.47Å; I396-Y555 HydrophobicContact CD1-CD1 3.98Å; I396-Y555 HydrophobicContact CD1-CE1 3.94Å; I396-Y555 HydrophobicContact CD1-CG 4.38Å; I396-Y555 HydrophobicContact CG1-CE1 4.4Å; F535-Y555 HydrophobicContact CD2-CD2 4.3Å; F535-Y555 AromaticContact CD2-CE2 3.75Å; F535-Y555 HydrophobicContact CD2-CE2 3.75Å; F535-Y555 AromaticContact CE2-CE2 3.65Å; F535-Y555 HydrophobicContact CE2-CE2 3.65Å; F535-Y555 AromaticContact CE2-CZ 3.76Å; P553-Y555 VanDerWaalsContact C-N 3.3Å; P553-Y555 WeakPolarHBondContact CB-O 3.34Å; Y555-N557 VanDerWaalsContact C-N 3.33Å; Y555-N557 PolarHBondContact O-N 3.15Å; Y555-F558 HydrophobicContact CD1-CE1 4.42Å; Y555-F558 HydrophobicContact CD2-CE1 4Å; Y555-F558 AromaticContact CD2-CE2 3.92Å; Y555-F558 HydrophobicContact CD2-CE2 3.92Å; Y555-F558 AromaticContact CD2-CZ 3.61Å; Y555-F558 HydrophobicContact CD2-CZ 3.61Å; Y555-F558 HydrophobicContact CE2-CZ 4.35Å; Y555-F558 HydrophobicContact CG-CD1 4.22Å; Y555-F558 AromaticContact CG-CE1 3.69Å; Y555-F558 HydrophobicContact CG-CE1 3.69Å; Y555-F558 HydrophobicContact CG-CE2 4.4Å; Y555-F558 AromaticContact CG-CZ 3.81Å; Y555-F558 HydrophobicContact CG-CZ 3.81Å; Y555-F558 VanDerWaalsContact O-CB 3.23Å; Y555-F558 WeakPolarHBondContact O-CB 3.04Å; Y555-F558 PolarHBondContact O-N 2.89Å
556	A	93.1	Very high	93.4	Very high	14 Å²	14	12.1 Å²	12.1	12%	0.116	6%	0.063	C	C	.	.	H	α-helix	trans	-61.3	-32.4	-171.2	0	0	0	0	0	114.9	C428 F558 Y559 A595 V596	C428-A556 HydrophobicContact CB-CB 4.3Å; C428-A556 PolarHBondContact SG-O 3.28Å; C428-A556 VanDerWaalsContact SG-O 3.32Å; A556-F558 PolarHBondContact O-N 2.83Å; A556-F558 VanDerWaalsContact O-N 3.13Å; A556-Y559 WeakPolarHBondContact O-CB 3.31Å; A556-Y559 PolarHBondContact O-N 3.1Å; A556-Y559 VanDerWaalsContact O-N 3.09Å; A556-A595 HydrophobicContact CB-CB 3.8Å; A556-A595 WeakPolarHBondContact CB-O 3.49Å; A556-V596 HydrophobicContact CB-CG2 3.98Å
557	N	92.2	Very high	92.5	Very high	39 Å²	39	15.2 Å²	15.2	21%	0.209	8%	0.08	C	C	.	.	H	α-helix	trans	-62.7	-20.5	175.7	64.6	-54.6	0	0	0	113.1	D271 R538 Y555 Y559 A560 E561	D271-N557 PolarHBondContact OD2-ND2 2.7Å; R538-N557 PolarHBondContact NH2-ND2 3.48Å; Y555-N557 VanDerWaalsContact C-N 3.33Å; Y555-N557 PolarHBondContact O-N 3.15Å; N557-Y559 VanDerWaalsContact C-N 3.27Å; N557-Y559 PolarHBondContact O-N 3.03Å; N557-A560 PolarHBondContact O-N 3.28Å; N557-E561 PolarHBondContact ND2-OE1 3.04Å; N557-E561 VanDerWaalsContact ND2-OE1 3.16Å; N557-E561 WeakPolarHBondContact O-CB 3.28Å; N557-E561 WeakPolarHBondContact O-CG 3.47Å; N557-E561 PolarHBondContact O-N 2.64Å
558	F	95	Very high	91.2	Very high	7 Å²	7	16.3 Å²	16.3	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-70	-30.4	178.7	-65.8	29.1	0	0	0	110.3	E531 Y534 F535 R538 P553 Y555 A556 L562	E531-F558 HydrophobicContact CG-CD2 4.43Å; E531-F558 HydrophobicContact CG-CE2 4.43Å; Y534-F558 HydrophobicContact CD1-CB 4.21Å; Y534-F558 AromaticContact CD1-CD2 3.65Å; Y534-F558 HydrophobicContact CD1-CD2 3.65Å; Y534-F558 HydrophobicContact CD1-CE2 4.28Å; Y534-F558 HydrophobicContact CD1-CG 4.1Å; Y534-F558 HydrophobicContact CE1-CB 3.96Å; Y534-F558 HydrophobicContact CE1-CD2 4.11Å; Y534-F558 HydrophobicContact CE1-CG 4.07Å; F535-F558 HydrophobicContact CB-CE2 4.08Å; F535-F558 HydrophobicContact CB-CZ 4.45Å; F535-F558 HydrophobicContact CD2-CE2 4.14Å; F535-F558 AromaticContact CD2-CZ 3.79Å; F535-F558 HydrophobicContact CD2-CZ 3.79Å; R538-F558 VanDerWaalsContact NH1-CG 3.3Å; R538-F558 VanDerWaalsContact NH2-CE1 3.28Å; P553-F558 HydrophobicContact CB-CB 3.91Å; P553-F558 HydrophobicContact CG-CB 4.22Å; Y555-F558 HydrophobicContact CD1-CE1 4.42Å; Y555-F558 HydrophobicContact CD2-CE1 4Å; Y555-F558 AromaticContact CD2-CE2 3.92Å; Y555-F558 HydrophobicContact CD2-CE2 3.92Å; Y555-F558 AromaticContact CD2-CZ 3.61Å; Y555-F558 HydrophobicContact CD2-CZ 3.61Å; Y555-F558 HydrophobicContact CE2-CZ 4.35Å; Y555-F558 HydrophobicContact CG-CD1 4.22Å; Y555-F558 AromaticContact CG-CE1 3.69Å; Y555-F558 HydrophobicContact CG-CE1 3.69Å; Y555-F558 HydrophobicContact CG-CE2 4.4Å; Y555-F558 AromaticContact CG-CZ 3.81Å; Y555-F558 HydrophobicContact CG-CZ 3.81Å; Y555-F558 VanDerWaalsContact O-CB 3.23Å; Y555-F558 WeakPolarHBondContact O-CB 3.04Å; Y555-F558 PolarHBondContact O-N 2.89Å; A556-F558 PolarHBondContact O-N 2.83Å; A556-F558 VanDerWaalsContact O-N 3.13Å; F558-L562 WeakPolarHBondContact O-CB 3.44Å; F558-L562 WeakPolarHBondContact O-CD1 3.25Å; F558-L562 WeakPolarHBondContact O-CG 3.45Å; F558-L562 PolarHBondContact O-N 3.3Å; F558-L562 VanDerWaalsContact O-N 3.16Å
559	Y	95.2	Very high	89.6	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.9	-56.7	173	-174.7	-100.7	0	0	0	110.2	L429 I432 Q438 F440 F549 L552 A556 N557 E561 L562 C563 C581 V583 V596	L429-Y559 HydrophobicContact CD2-CE1 4.3Å; I432-Y559 HydrophobicContact CD1-CD1 4.15Å; I432-Y559 HydrophobicContact CD1-CE1 3.89Å; Q438-Y559 PolarHBondContact OE1-OH 3Å; F440-Y559 HydrophobicContact CZ-CE1 4.49Å; F440-Y559 AromaticContact CZ-CZ 3.99Å; F440-Y559 WeakPolarHBondContact CZ-OH 3.17Å; F549-Y559 HydrophobicContact CD1-CD2 4.19Å; F549-Y559 HydrophobicContact CD2-CD2 4.01Å; F549-Y559 AromaticContact CD2-CE2 3.68Å; F549-Y559 HydrophobicContact CD2-CE2 3.68Å; F549-Y559 AromaticContact CE1-CD2 3.82Å; F549-Y559 HydrophobicContact CE1-CD2 3.82Å; F549-Y559 HydrophobicContact CE1-CE2 4.46Å; F549-Y559 AromaticContact CE2-CD2 3.6Å; F549-Y559 HydrophobicContact CE2-CD2 3.6Å; F549-Y559 AromaticContact CE2-CE2 3.48Å; F549-Y559 HydrophobicContact CE2-CE2 3.48Å; F549-Y559 VanDerWaalsContact CE2-CE2 3.48Å; F549-Y559 HydrophobicContact CG-CD2 4.29Å; F549-Y559 HydrophobicContact CG-CE2 4.25Å; F549-Y559 AromaticContact CZ-CD2 3.5Å; F549-Y559 HydrophobicContact CZ-CD2 3.5Å; F549-Y559 VanDerWaalsContact CZ-CD2 3.5Å; F549-Y559 AromaticContact CZ-CE2 3.91Å; F549-Y559 HydrophobicContact CZ-CE2 3.91Å; F549-Y559 HydrophobicContact CZ-CG 4.38Å; L552-Y559 HydrophobicContact CD2-CD2 3.88Å; L552-Y559 HydrophobicContact CD2-CE2 3.96Å; A556-Y559 WeakPolarHBondContact O-CB 3.31Å; A556-Y559 PolarHBondContact O-N 3.1Å; A556-Y559 VanDerWaalsContact O-N 3.09Å; N557-Y559 VanDerWaalsContact C-N 3.27Å; N557-Y559 PolarHBondContact O-N 3.03Å; Y559-E561 PolarHBondContact O-N 2.83Å; Y559-L562 PolarHBondContact O-N 2.82Å; Y559-C563 PolarHBondContact O-N 2.75Å; Y559-C563 PolarHBondContact O-SG 3.01Å; Y559-C581 PolarHBondContact OH-SG 3.5Å; Y559-C581 VanDerWaalsContact OH-SG 3.39Å; Y559-V583 HydrophobicContact CE2-CG2 3.69Å; Y559-V596 HydrophobicContact CD1-CG1 3.5Å; Y559-V596 HydrophobicContact CD2-CG1 4.43Å; Y559-V596 HydrophobicContact CE1-CG1 3.71Å; Y559-V596 HydrophobicContact CG-CG1 3.89Å; Y559-V596 HydrophobicContact CG-CG2 4.35Å
560	A	92.5	Very high	87.8	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-40.6	-179.2	0	0	0	0	0	113.1	C428 Q431 I432 N557 C563 N564	C428-A560 HydrophobicContact CB-CB 4.28Å; Q431-A560 HydrophobicContact CB-CB 3.84Å; I432-A560 HydrophobicContact CG1-CB 3.98Å; N557-A560 PolarHBondContact O-N 3.28Å; A560-C563 PolarHBondContact O-N 2.88Å; A560-N564 WeakPolarHBondContact O-CB 3.26Å; A560-N564 PolarHBondContact O-N 3.38Å; A560-N564 PolarHBondContact O-ND2 3.14Å
561	E	91.9	Very high	86.2	Confident	42 Å²	42	37.8 Å²	37.8	20%	0.196	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-41.3	175.7	-78.7	-177.7	-126.4	0	0	112.7	P269 Y534 R538 N557 Y559 N564 M565	P269-E561 WeakPolarHBondContact CG-OE2 3.28Å; Y534-E561 WeakPolarHBondContact OH-CB 3.42Å; R538-E561 IonicContact CZ-OE1 3.95Å; R538-E561 IonicContact CZ-OE2 3.04Å; R538-E561 IonicContact NE-OE1 3.29Å; R538-E561 IonicContact NE-OE2 3.25Å; R538-E561 PolarHBondContact NE-OE2 3.09Å; R538-E561 IonicContact NH2-OE1 3.76Å; R538-E561 PolarHBondContact NH2-OE1 2.99Å; R538-E561 IonicContact NH2-OE2 2.98Å; R538-E561 PolarHBondContact NH2-OE2 2.92Å; N557-E561 PolarHBondContact ND2-OE1 3.04Å; N557-E561 VanDerWaalsContact ND2-OE1 3.16Å; N557-E561 WeakPolarHBondContact O-CB 3.28Å; N557-E561 WeakPolarHBondContact O-CG 3.47Å; N557-E561 PolarHBondContact O-N 2.64Å; Y559-E561 PolarHBondContact O-N 2.83Å; E561-N564 PolarHBondContact O-N 2.73Å; E561-M565 WeakPolarHBondContact O-CG 3.43Å; E561-M565 PolarHBondContact O-N 3.04Å
562	L	93.7	Very high	84.1	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-69	-41.6	177.1	-70.9	171.3	0	0	0	111.9	L477 Y479 M529 Y534 L547 F549 F558 Y559 N564 M565	L477-L562 HydrophobicContact CD2-CD2 4.02Å; Y479-L562 HydrophobicContact CD2-CD1 3.47Å; Y479-L562 VanDerWaalsContact CD2-CD1 3.47Å; Y479-L562 HydrophobicContact CE2-CD1 3.61Å; Y479-L562 HydrophobicContact CG-CD1 4.29Å; M529-L562 HydrophobicContact CE-CD1 4.27Å; M529-L562 HydrophobicContact CE-CD2 3.99Å; Y534-L562 HydrophobicContact CD1-CD1 4.33Å; Y534-L562 HydrophobicContact CD2-CD2 4.35Å; Y534-L562 HydrophobicContact CE1-CD1 4.11Å; Y534-L562 HydrophobicContact CE1-CD2 4.07Å; Y534-L562 HydrophobicContact CE1-CG 3.88Å; Y534-L562 HydrophobicContact CE2-CD2 3.78Å; Y534-L562 HydrophobicContact CE2-CG 4.48Å; L547-L562 HydrophobicContact CD1-CB 4.31Å; F549-L562 HydrophobicContact CE1-CD1 3.94Å; F549-L562 HydrophobicContact CZ-CB 4.12Å; F549-L562 HydrophobicContact CZ-CD1 4.11Å; F558-L562 WeakPolarHBondContact O-CB 3.44Å; F558-L562 WeakPolarHBondContact O-CD1 3.25Å; F558-L562 WeakPolarHBondContact O-CG 3.45Å; F558-L562 PolarHBondContact O-N 3.3Å; F558-L562 VanDerWaalsContact O-N 3.16Å; Y559-L562 PolarHBondContact O-N 2.82Å; L562-N564 VanDerWaalsContact C-N 3.25Å; L562-N564 PolarHBondContact O-N 2.71Å; L562-M565 HydrophobicContact CD2-SD 4.18Å; L562-M565 WeakPolarHBondContact O-CB 3.36Å; L562-M565 PolarHBondContact O-N 3.16Å
563	C	92.9	Very high	82.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.1	-39.6	171.9	-69.1	0	0	0	0	112.1	I432 L436 L547 Y559 A560 M565 V566	I432-C563 HydrophobicContact CD1-CB 3.91Å; I432-C563 HydrophobicContact CG1-CB 3.96Å; I432-C563 HydrophobicContact CG2-CB 3.94Å; L436-C563 HydrophobicContact CD2-CB 3.64Å; L547-C563 HydrophobicContact CD1-CB 4.41Å; Y559-C563 PolarHBondContact O-N 2.75Å; Y559-C563 PolarHBondContact O-SG 3.01Å; A560-C563 PolarHBondContact O-N 2.88Å; C563-M565 VanDerWaalsContact C-N 3.27Å; C563-M565 PolarHBondContact O-N 3.49Å; C563-V566 WeakPolarHBondContact O-CG2 3.33Å
564	N	90.3	Very high	80.8	Confident	56 Å²	56	53.2 Å²	53.2	30%	0.299	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-9.7	175.7	-75.9	-47	0	0	0	114.8	Q431 V433 A560 E561 L562	Q431-N564 PolarHBondContact O-ND2 2.9Å; V433-N564 PolarHBondContact N-OD1 3.45Å; A560-N564 WeakPolarHBondContact O-CB 3.26Å; A560-N564 PolarHBondContact O-N 3.38Å; A560-N564 PolarHBondContact O-ND2 3.14Å; E561-N564 PolarHBondContact O-N 2.73Å; L562-N564 VanDerWaalsContact C-N 3.25Å; L562-N564 PolarHBondContact O-N 2.71Å
565	M	88.2	Confident	79.2	Confident	26 Å²	26	62.1 Å²	62.1	13%	0.128	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.3	177.6	-70.9	179.3	-166.4	0	0	114.3	Y534 V540 E561 L562 C563 I567	Y534-M565 HydrophobicContact CE2-CE 4.32Å; Y534-M565 VanDerWaalsContact OH-CE 3.25Å; Y534-M565 WeakPolarHBondContact OH-CE 3.2Å; V540-M565 HydrophobicContact CB-SD 4.36Å; V540-M565 HydrophobicContact CG1-CG 4.15Å; V540-M565 HydrophobicContact CG1-SD 4.11Å; V540-M565 HydrophobicContact CG2-CE 4.25Å; E561-M565 WeakPolarHBondContact O-CG 3.43Å; E561-M565 PolarHBondContact O-N 3.04Å; L562-M565 HydrophobicContact CD2-SD 4.18Å; L562-M565 WeakPolarHBondContact O-CB 3.36Å; L562-M565 PolarHBondContact O-N 3.16Å; C563-M565 VanDerWaalsContact C-N 3.27Å; C563-M565 PolarHBondContact O-N 3.49Å; M565-I567 VanDerWaalsContact C-N 3.3Å; M565-I567 PolarHBondContact O-N 2.88Å
566	V	84	Confident	77.8	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.024	33%	0.333	C	S	.	.	S	Bend	trans	-66.5	-28.5	-172.1	-176.6	0	0	0	0	113	L436 A544 H545 L547 C563 F577 P579	L436-V566 HydrophobicContact CD2-CG2 4.45Å; A544-V566 CarbonylContact O-C 3.6Å; A544-V566 WeakPolarHBondContact O-CA 3.16Å; H545-V566 WeakPolarHBondContact O-CG1 3.18Å; L547-V566 HydrophobicContact CD1-CG2 3.65Å; L547-V566 HydrophobicContact CD2-CG2 3.91Å; L547-V566 HydrophobicContact CG-CG2 3.59Å; C563-V566 WeakPolarHBondContact O-CG2 3.33Å; V566-F577 HydrophobicContact CG1-CZ 4.33Å; V566-P579 HydrophobicContact CG1-CB 3.53Å
567	I	71.1	Confident	76.8	Confident	68 Å²	68	68.8 Å²	68.8	35%	0.349	34%	0.337	S	S	.	.			trans	-98.9	98.7	173.7	-58.7	-174	0	0	0	109.9	V434 M565 K569 F577	V434-I567 HydrophobicContact CG1-CD1 3.65Å; V434-I567 HydrophobicContact CG1-CG1 3.91Å; V434-I567 HydrophobicContact CG2-CD1 4.4Å; V434-I567 HydrophobicContact CG2-CG1 4.43Å; M565-I567 VanDerWaalsContact C-N 3.3Å; M565-I567 PolarHBondContact O-N 2.88Å; I567-K569 PolarHBondContact O-N 3.25Å; I567-K569 VanDerWaalsContact O-N 3.09Å; I567-F577 HydrophobicContact CG1-CE1 4.33Å
568	D	66.8	Low	76.2	Confident	25 Å²	25	76.4 Å²	76.4	13%	0.134	36%	0.363	C	S	.	.			trans	-72.8	101.8	164.2	-168.8	-22.6	0	0	0	109	R542 K570 R571	R542-D568 WeakPolarHBondContact CD-OD2 3.32Å; R542-D568 IonicContact NE-OD2 3.78Å; R542-D568 IonicContact NH1-OD1 3.09Å; R542-D568 IonicContact NH1-OD2 2.8Å; R542-D568 PolarHBondContact NH1-OD2 3.12Å; D568-K570 PolarHBondContact O-N 3.19Å; D568-K570 WeakPolarHBondContact OD1-CB 3.31Å; D568-K570 PolarHBondContact OD1-N 3.27Å; D568-R571 PolarHBondContact O-N 3.47Å; D568-R571 VanDerWaalsContact O-O 3.14Å
569	K	62.1	Low	75.8	Confident	194 Å²	194	76.8 Å²	76.8	84%	0.843	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-2.7	177.9	-56.4	-170.5	177.9	-166.5	0	115.4	I567	I567-K569 PolarHBondContact O-N 3.25Å; I567-K569 VanDerWaalsContact O-N 3.09Å
570	K	59.8	Low	75.5	Confident	165 Å²	165	78.4 Å²	78.4	72%	0.717	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-16.7	173.2	-71.7	-177.2	167.9	-81.2	0	115.1	D568	D568-K570 PolarHBondContact O-N 3.19Å; D568-K570 WeakPolarHBondContact OD1-CB 3.31Å; D568-K570 PolarHBondContact OD1-N 3.27Å
571	R	63.6	Low	75.6	Confident	97 Å²	97	78.4 Å²	78.4	37%	0.366	38%	0.376	S	S	.	.	S	Bend	trans	-96.1	130.3	162.7	-74.3	-174.8	176.2	152.7	5.1	106.9	Y520 D568	Y520-R571 PolarHBondContact O-NH1 3.11Å; Y520-R571 PolarHBondContact O-NH2 2.51Å; D568-R571 PolarHBondContact O-N 3.47Å; D568-R571 VanDerWaalsContact O-O 3.14Å
572	Q	53.6	Low	75.7	Confident	189 Å²	189	76.6 Å²	76.6	88%	0.883	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-63.8	127.4	156.7	-77.5	177	-29.1	0	0	106.4	S574	Q572-S574 PolarHBondContact O-N 3.31Å
573	P	59.5	Low	75.9	Confident	76 Å²	76	76.6 Å²	76.6	49%	0.494	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-60.5	137.2	168	26.1	-32	0	0	0	108.4	F577	P573-F577 HydrophobicContact CB-CB 3.69Å; P573-F577 HydrophobicContact CB-CD1 3.45Å; P573-F577 VanDerWaalsContact CB-CD1 3.45Å; P573-F577 HydrophobicContact CB-CE1 4.33Å; P573-F577 HydrophobicContact CB-CG 3.77Å
574	S	64	Low	76	Confident	81 Å²	81	76.7 Å²	76.7	57%	0.566	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-59	152.4	164.1	49.3	0	0	0	0	109.4	Q572 D576 F577	Q572-S574 PolarHBondContact O-N 3.31Å; S574-D576 PolarHBondContact O-N 3.07Å; S574-D576 VanDerWaalsContact O-N 3.14Å; S574-F577 WeakPolarHBondContact O-CB 3.44Å; S574-F577 PolarHBondContact O-N 3.15Å
575	E	60.5	Low	76.3	Confident	203 Å²	203	74 Å²	74	95%	0.949	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-28.6	-177.2	-58.9	-167.2	151.2	0	0	112.9	F577	E575-F577 VanDerWaalsContact C-N 3.27Å; E575-F577 PolarHBondContact O-N 2.91Å
576	D	64.8	Low	76.6	Confident	128 Å²	128	72.8 Å²	72.8	68%	0.684	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	0.9	172	-65.5	-57.6	0	0	0	115.2	S574 R578	S574-D576 PolarHBondContact O-N 3.07Å; S574-D576 VanDerWaalsContact O-N 3.14Å; D576-R578 PolarHBondContact O-N 3.49Å
577	F	71.7	Confident	77.1	Confident	42 Å²	42	78.5 Å²	78.5	18%	0.184	37%	0.369	C	S	.	.			trans	-71.4	99.2	-177.3	177.9	-107.6	0	0	0	111.5	H545 V566 I567 P573 S574 E575 P579	H545-F577 HydrophobicContact CB-CE2 3.67Å; H545-F577 HydrophobicContact CB-CZ 4.43Å; H545-F577 AromaticContact CD2-CE2 3.6Å; H545-F577 AromaticContact CG-CE2 3.52Å; V566-F577 HydrophobicContact CG1-CZ 4.33Å; I567-F577 HydrophobicContact CG1-CE1 4.33Å; P573-F577 HydrophobicContact CB-CB 3.69Å; P573-F577 HydrophobicContact CB-CD1 3.45Å; P573-F577 VanDerWaalsContact CB-CD1 3.45Å; P573-F577 HydrophobicContact CB-CE1 4.33Å; P573-F577 HydrophobicContact CB-CG 3.77Å; S574-F577 WeakPolarHBondContact O-CB 3.44Å; S574-F577 PolarHBondContact O-N 3.15Å; E575-F577 VanDerWaalsContact C-N 3.27Å; E575-F577 PolarHBondContact O-N 2.91Å; F577-P579 HydrophobicContact CD1-CG 4.46Å; F577-P579 HydrophobicContact CE1-CB 3.92Å; F577-P579 HydrophobicContact CE1-CG 3.85Å; F577-P579 HydrophobicContact CZ-CB 3.78Å; F577-P579 HydrophobicContact CZ-CG 4.25Å; F577-P579 WeakPolarHBondContact O-CD 3.47Å
578	R	79.3	Confident	78.1	Confident	199 Å²	199	78.1 Å²	78.1	75%	0.751	37%	0.365	S	S	*	.			trans	-108.9	93.5	175.9	-62.7	179.9	-170.1	-167.8	3	109.1	D576	D576-R578 PolarHBondContact O-N 3.49Å
579	P	86.3	Confident	79.4	Confident	16 Å²	16	77 Å²	77	10%	0.104	36%	0.359	C	S	.	.			trans	-67.2	143.7	178.7	29	-34.2	0	0	0	110.1	L436 P437 H545 V566 F577	L436-P579 HydrophobicContact CD1-CB 3.8Å; L436-P579 HydrophobicContact CD1-CG 4.2Å; P437-P579 VanDerWaalsContact CD-O 3.31Å; P437-P579 WeakPolarHBondContact CD-O 3.43Å; P437-P579 WeakPolarHBondContact CG-O 3.44Å; H545-P579 VanDerWaalsContact O-CA 3.28Å; H545-P579 WeakPolarHBondContact O-CA 3.43Å; H545-P579 WeakPolarHBondContact O-CB 3.28Å; V566-P579 HydrophobicContact CG1-CB 3.53Å; F577-P579 HydrophobicContact CD1-CG 4.46Å; F577-P579 HydrophobicContact CE1-CB 3.92Å; F577-P579 HydrophobicContact CE1-CG 3.85Å; F577-P579 HydrophobicContact CZ-CB 3.78Å; F577-P579 HydrophobicContact CZ-CG 4.25Å; F577-P579 WeakPolarHBondContact O-CD 3.47Å
580	T	89.1	Confident	80.8	Confident	33 Å²	33	72.8 Å²	72.8	20%	0.202	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.4	177.7	72.5	0	0	0	0	112	M473 N546 L547	M473-T580 HydrophobicContact CE-CG2 4.23Å; N546-T580 CarbonylContact C-O 3.56Å; N546-T580 WeakPolarHBondContact CA-O 3.13Å; N546-T580 PolarHBondContact OD1-N 2.73Å; N546-T580 PolarHBondContact OD1-OG1 2.99Å; L547-T580 PolarHBondContact N-O 2.62Å
581	C	94	Very high	82.2	Confident	2 Å²	2	67 Å²	67	1%	0.014	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.8	165.2	175.8	0	0	0	0	109.3	L436 P437 Q438 R439 L547 Y559	L436-C581 HydrophobicContact CD1-CB 4.27Å; L436-C581 HydrophobicContact CD2-CB 3.85Å; L436-C581 HydrophobicContact CG-CB 3.91Å; P437-C581 PolarHBondContact O-N 3.34Å; Q438-C581 CarbonylContact C-O 3.51Å; Q438-C581 WeakPolarHBondContact CA-O 3.47Å; Q438-C581 HydrophobicContact CB-CB 4.46Å; Q438-C581 HydrophobicContact CG-CB 3.88Å; R439-C581 PolarHBondContact N-O 2.9Å; L547-C581 HydrophobicContact CB-CB 4.3Å; L547-C581 WeakPolarHBondContact O-CA 3.45Å; Y559-C581 PolarHBondContact OH-SG 3.5Å; Y559-C581 VanDerWaalsContact OH-SG 3.39Å
582	A	94.6	Very high	83.6	Confident	4 Å²	4	63.8 Å²	63.8	3%	0.033	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.2	172.5	0	0	0	0	0	110.7	R439 Y467 L547 L548 F549	R439-A582 CarbonylContact O-C 3.55Å; R439-A582 WeakPolarHBondContact O-CA 3.36Å; Y467-A582 WeakPolarHBondContact OH-CB 3.49Å; L547-A582 PolarHBondContact O-N 2.9Å; L548-A582 WeakPolarHBondContact CA-O 3.35Å; L548-A582 HydrophobicContact CD1-CB 3.66Å; F549-A582 PolarHBondContact N-O 3.41Å
583	V	96.8	Very high	85.5	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.5	-179.8	-176.7	0	0	0	0	109.3	R439 F440 T441 F549 L552 Y559	R439-V583 PolarHBondContact O-N 3.01Å; F440-V583 WeakPolarHBondContact CA-O 3.43Å; F440-V583 HydrophobicContact CD1-CB 3.66Å; F440-V583 HydrophobicContact CD1-CG1 3.72Å; F440-V583 HydrophobicContact CD1-CG2 4.01Å; F440-V583 HydrophobicContact CE1-CB 3.99Å; F440-V583 HydrophobicContact CE1-CG1 3.93Å; F440-V583 HydrophobicContact CE1-CG2 3.86Å; F440-V583 HydrophobicContact CG-CB 4.16Å; F440-V583 HydrophobicContact CG-CG2 4.47Å; F440-V583 HydrophobicContact CZ-CG2 4.19Å; T441-V583 PolarHBondContact N-O 3.26Å; F549-V583 HydrophobicContact CB-CB 4.48Å; F549-V583 HydrophobicContact CB-CG1 4.3Å; F549-V583 HydrophobicContact CB-CG2 4.23Å; F549-V583 HydrophobicContact CD2-CG2 4.1Å; F549-V583 HydrophobicContact CG-CG2 4.48Å; L552-V583 HydrophobicContact CD1-CG1 4.46Å; L552-V583 HydrophobicContact CD2-CG1 3.49Å; L552-V583 VanDerWaalsContact CD2-CG1 3.49Å; L552-V583 HydrophobicContact CD2-CG2 4.31Å; L552-V583 HydrophobicContact CG-CG1 3.67Å; Y559-V583 HydrophobicContact CE2-CG2 3.69Å
584	I	96.4	Very high	87.1	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.8	168.7	-58.1	175.3	0	0	0	108.4	T441 F443 R455 F458 F459 V463 F549	T441-I584 WeakPolarHBondContact O-CA 3.4Å; F443-I584 HydrophobicContact CD1-CG2 3.47Å; F443-I584 VanDerWaalsContact CD1-CG2 3.47Å; F443-I584 HydrophobicContact CE1-CG2 3.77Å; R455-I584 HydrophobicContact CG-CG2 4.22Å; F458-I584 HydrophobicContact CD1-CD1 4.33Å; F458-I584 HydrophobicContact CD1-CG2 3.9Å; F458-I584 HydrophobicContact CE1-CG1 4.45Å; F458-I584 HydrophobicContact CE1-CG2 4.15Å; F459-I584 HydrophobicContact CB-CD1 3.88Å; F459-I584 HydrophobicContact CD2-CD1 3.7Å; F459-I584 HydrophobicContact CG-CD1 4.29Å; V463-I584 HydrophobicContact CB-CD1 4.03Å; V463-I584 HydrophobicContact CG1-CD1 4.17Å; V463-I584 HydrophobicContact CG2-CD1 3.69Å; V463-I584 HydrophobicContact CG2-CG1 4.06Å; F549-I584 PolarHBondContact O-N 2.99Å
585	Y	96.4	Very high	88.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	156.6	178.8	81	-77.6	0	0	0	113.6	F440 T441 R442 F443 D589 L593 M605 L606 H613	F440-Y585 HydrophobicContact CB-CD1 4.13Å; F440-Y585 HydrophobicContact CB-CE1 3.91Å; T441-Y585 WeakPolarHBondContact O-CD1 3.19Å; T441-Y585 PolarHBondContact O-N 3.3Å; T441-Y585 VanDerWaalsContact O-N 3.1Å; R442-Y585 CarbonylContact C-O 3.57Å; R442-Y585 VanDerWaalsContact CA-O 3.3Å; R442-Y585 WeakPolarHBondContact CA-O 3Å; R442-Y585 HydrophobicContact CB-CD1 4.42Å; R442-Y585 HydrophobicContact CB-CE1 3.72Å; R442-Y585 HydrophobicContact CB-CE2 4.28Å; R442-Y585 HydrophobicContact CG-CE1 4.39Å; R442-Y585 HydrophobicContact CG-CE2 4.05Å; F443-Y585 WeakPolarHBondContact CD1-O 3.4Å; F443-Y585 PolarHBondContact N-O 3.01Å; Y585-D589 VanDerWaalsContact CA-OD2 3.24Å; Y585-D589 WeakPolarHBondContact CA-OD2 3.38Å; Y585-L593 HydrophobicContact CD2-CD2 3.85Å; Y585-L593 HydrophobicContact CE2-CD2 3.69Å; Y585-M605 HydrophobicContact CE1-CE 3.98Å; Y585-M605 PolarHBondContact OH-O 3.3Å; Y585-L606 HydrophobicContact CE2-CD2 4.1Å; Y585-H613 PolarHBondContact OH-CE1 2.6Å; Y585-H613 PolarHBondContact OH-ND1 3.32Å; Y585-H613 VanDerWaalsContact OH-ND1 3.13Å
586	S	95	Very high	90	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.2	C	C	.	.			trans	-119.2	176.8	174.9	93.2	0	0	0	0	111.5	F443 E451 F588 D589	F443-S586 VanDerWaalsContact CZ-CB 3.45Å; E451-S586 WeakPolarHBondContact OE1-CB 3.33Å; E451-S586 PolarHBondContact OE1-OG 3.28Å; S586-F588 PolarHBondContact O-N 2.89Å; S586-F588 WeakPolarHBondContact OG-CB 3.25Å; S586-F588 PolarHBondContact OG-N 3.01Å; S586-D589 PolarHBondContact N-OD2 2.81Å; S586-D589 WeakPolarHBondContact O-CB 3.3Å; S586-D589 PolarHBondContact O-N 3.42Å
587	R	93.3	Very high	91.3	Very high	123 Å²	123	35.3 Å²	35.3	46%	0.464	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-62.5	-24.3	167.9	61	175.8	167.8	161.4	-2.1	113.9	P445 E446 D589 E590 L606	P445-R587 PolarHBondContact O-NE 3.2Å; P445-R587 PolarHBondContact O-NH2 3Å; E446-R587 VanDerWaalsContact C-NH2 3.27Å; E446-R587 PolarHBondContact O-NH2 3.32Å; R587-D589 VanDerWaalsContact C-N 3.33Å; R587-E590 WeakPolarHBondContact O-CB 3.49Å; R587-E590 PolarHBondContact O-N 2.93Å; R587-L606 HydrophobicContact CB-CD2 4.32Å
588	F	92.7	Very high	92.2	Very high	60 Å²	60	33.4 Å²	33.4	26%	0.263	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-81.9	-14	177.9	-51.9	-54.5	0	0	0	112.5	P445 N447 T448 E451 S586 E590	P445-F588 HydrophobicContact CB-CE2 4.27Å; P445-F588 HydrophobicContact CG-CD2 3.82Å; P445-F588 HydrophobicContact CG-CE2 3.66Å; N447-F588 VanDerWaalsContact C-CE2 3.47Å; N447-F588 WeakPolarHBondContact O-CE2 3.27Å; T448-F588 HydrophobicContact CG2-CD1 3.61Å; T448-F588 HydrophobicContact CG2-CD2 3.93Å; T448-F588 HydrophobicContact CG2-CE1 3.54Å; T448-F588 HydrophobicContact CG2-CE2 3.86Å; T448-F588 HydrophobicContact CG2-CG 3.81Å; T448-F588 HydrophobicContact CG2-CZ 3.67Å; E451-F588 HydrophobicContact CB-CD2 4.38Å; E451-F588 HydrophobicContact CG-CD2 4.28Å; S586-F588 PolarHBondContact O-N 2.89Å; S586-F588 WeakPolarHBondContact OG-CB 3.25Å; S586-F588 PolarHBondContact OG-N 3.01Å; F588-E590 PolarHBondContact O-N 2.95Å
589	D	93.5	Very high	92.7	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.011	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-77.6	1.2	169.4	-69.1	-50.8	0	0	0	113.5	R455 Q551 Y585 S586 R587 S591 R592 L593	R455-D589 IonicContact CZ-OD2 2.71Å; R455-D589 VanDerWaalsContact NH2-CG 3.28Å; R455-D589 IonicContact NH2-OD1 3.97Å; R455-D589 PolarHBondContact NH2-OD1 2.84Å; R455-D589 IonicContact NH2-OD2 3.43Å; R455-D589 PolarHBondContact NH2-OD2 3.34Å; Q551-D589 WeakPolarHBondContact CG-OD1 3.45Å; Q551-D589 PolarHBondContact NE2-OD1 3.1Å; Y585-D589 VanDerWaalsContact CA-OD2 3.24Å; Y585-D589 WeakPolarHBondContact CA-OD2 3.38Å; S586-D589 PolarHBondContact N-OD2 2.81Å; S586-D589 WeakPolarHBondContact O-CB 3.3Å; S586-D589 PolarHBondContact O-N 3.42Å; R587-D589 VanDerWaalsContact C-N 3.33Å; D589-S591 PolarHBondContact O-N 2.87Å; D589-R592 PolarHBondContact O-N 3.06Å; D589-L593 PolarHBondContact O-N 3.39Å
590	E	91.6	Very high	92.8	Very high	105 Å²	105	30.6 Å²	30.6	49%	0.491	16%	0.164	S	C	.	.	H	α-helix	trans	-47.1	-41.2	-173.7	175.1	173	-137.1	0	0	114.1	R587 F588 T594 L606	R587-E590 WeakPolarHBondContact O-CB 3.49Å; R587-E590 PolarHBondContact O-N 2.93Å; F588-E590 PolarHBondContact O-N 2.95Å; E590-T594 WeakPolarHBondContact O-CB 3.19Å; E590-T594 PolarHBondContact O-N 3.25Å; E590-T594 PolarHBondContact O-OG1 3.39Å; E590-L606 HydrophobicContact CB-CD1 3.89Å; E590-L606 HydrophobicContact CG-CD1 3.69Å
591	S	89.7	Confident	93	Very high	44 Å²	44	33 Å²	33	31%	0.308	17%	0.169	S	C	.	.	H	α-helix	trans	-62.1	-46	177.5	53.7	0	0	0	0	112.8	D589 A595	D589-S591 PolarHBondContact O-N 2.87Å; S591-A595 PolarHBondContact O-N 3.3Å
592	R	93	Very high	92.9	Very high	29 Å²	29	32.9 Å²	32.9	11%	0.109	17%	0.169	C	C	.	.	H	α-helix	trans	-73.3	-39.7	178.4	-57.3	-175.6	-172.7	176.9	11.3	111.3	L552 P553 D589 A595 V596	L552-R592 HydrophobicContact CB-CB 3.87Å; L552-R592 HydrophobicContact CD1-CB 4.41Å; L552-R592 VanDerWaalsContact O-CD 3.28Å; L552-R592 WeakPolarHBondContact O-CD 3.44Å; L552-R592 PolarHBondContact O-NH1 3.24Å; P553-R592 WeakPolarHBondContact O-CD 3.48Å; D589-R592 PolarHBondContact O-N 3.06Å; R592-A595 PolarHBondContact O-N 2.97Å; R592-V596 WeakPolarHBondContact O-CB 3.37Å; R592-V596 WeakPolarHBondContact O-CG2 3.43Å; R592-V596 PolarHBondContact O-N 3.21Å
593	L	94.1	Very high	92.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-50.3	174.6	-177.2	66.3	0	0	0	110.7	F440 L552 Y585 D589 A595 V596 V597 A602 M605 L606	F440-L593 HydrophobicContact CD1-CD1 4.16Å; F440-L593 HydrophobicContact CE1-CD1 4.17Å; L552-L593 HydrophobicContact CD1-CB 4.08Å; L552-L593 HydrophobicContact CD1-CD1 4.05Å; Y585-L593 HydrophobicContact CD2-CD2 3.85Å; Y585-L593 HydrophobicContact CE2-CD2 3.69Å; D589-L593 PolarHBondContact O-N 3.39Å; L593-A595 VanDerWaalsContact C-N 3.32Å; L593-A595 PolarHBondContact O-N 2.92Å; L593-V596 PolarHBondContact O-N 3.26Å; L593-V597 HydrophobicContact CD1-CG1 4.04Å; L593-V597 HydrophobicContact CD1-CG2 3.88Å; L593-V597 HydrophobicContact CG-CG2 4.02Å; L593-V597 WeakPolarHBondContact O-CG2 3.41Å; L593-V597 PolarHBondContact O-N 2.85Å; L593-A602 HydrophobicContact CD2-CB 4.02Å; L593-A602 HydrophobicContact CG-CB 3.88Å; L593-M605 HydrophobicContact CD1-CE 3.79Å; L593-M605 HydrophobicContact CD1-SD 4.33Å; L593-M605 HydrophobicContact CD2-CB 4.46Å; L593-L606 HydrophobicContact CD2-CD1 4.33Å; L593-L606 HydrophobicContact CD2-CD2 4.36Å; L593-L606 HydrophobicContact CD2-CG 4.07Å
594	T	92.3	Very high	92.6	Very high	44 Å²	44	45.9 Å²	45.9	27%	0.27	23%	0.226	S	C	.	.	H	α-helix	trans	-56.8	-43.7	177.2	-66.9	0	0	0	0	112.2	E590 V596 G598 A599	E590-T594 WeakPolarHBondContact O-CB 3.19Å; E590-T594 PolarHBondContact O-N 3.25Å; E590-T594 PolarHBondContact O-OG1 3.39Å; T594-V596 VanDerWaalsContact C-N 3.31Å; T594-V596 PolarHBondContact O-N 3.02Å; T594-G598 VanDerWaalsContact O-CA 3.3Å; T594-G598 WeakPolarHBondContact O-CA 3.25Å; T594-G598 PolarHBondContact O-N 2.96Å; T594-A599 HydrophobicContact CG2-CB 3.91Å
595	A	91.4	Very high	92.5	Very high	36 Å²	36	46.1 Å²	46.1	30%	0.298	23%	0.228	S	C	.	.	H	α-helix	trans	-67.9	-29.8	177.4	0	0	0	0	0	113.1	C428 A556 S591 R592 L593	C428-A595 PolarHBondContact N-O 2.98Å; A556-A595 HydrophobicContact CB-CB 3.8Å; A556-A595 WeakPolarHBondContact CB-O 3.49Å; S591-A595 PolarHBondContact O-N 3.3Å; R592-A595 PolarHBondContact O-N 2.97Å; L593-A595 VanDerWaalsContact C-N 3.32Å; L593-A595 PolarHBondContact O-N 2.92Å
596	V	93.6	Very high	92.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-84.1	-49.7	179.6	170.3	0	0	0	0	112.8	G427 C428 L429 F440 L552 A556 Y559 R592 L593 T594	G427-V596 CarbonylContact C-O 3.52Å; G427-V596 WeakPolarHBondContact CA-O 3.42Å; C428-V596 PolarHBondContact N-O 3.1Å; C428-V596 PolarHBondContact SG-O 2.87Å; L429-V596 PolarHBondContact N-O 3.42Å; F440-V596 HydrophobicContact CZ-CG1 4.4Å; L552-V596 HydrophobicContact CD1-CB 4.38Å; L552-V596 HydrophobicContact CD1-CG2 4.4Å; L552-V596 HydrophobicContact CD2-CG1 4.35Å; L552-V596 HydrophobicContact CD2-CG2 4.24Å; A556-V596 HydrophobicContact CB-CG2 3.98Å; Y559-V596 HydrophobicContact CD1-CG1 3.5Å; Y559-V596 HydrophobicContact CD2-CG1 4.43Å; Y559-V596 HydrophobicContact CE1-CG1 3.71Å; Y559-V596 HydrophobicContact CG-CG1 3.89Å; Y559-V596 HydrophobicContact CG-CG2 4.35Å; R592-V596 WeakPolarHBondContact O-CB 3.37Å; R592-V596 WeakPolarHBondContact O-CG2 3.43Å; R592-V596 PolarHBondContact O-N 3.21Å; L593-V596 PolarHBondContact O-N 3.26Å; T594-V596 VanDerWaalsContact C-N 3.31Å; T594-V596 PolarHBondContact O-N 3.02Å
597	V	92.7	Very high	92.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-106.5	-6.4	-170	-49.4	0	0	0	0	115.7	D426 L429 F440 L593 R601 A602 M605	D426-V597 CarbonylContact C-O 3.59Å; D426-V597 CarbonylContact O-C 3.56Å; D426-V597 VanDerWaalsContact O-C 3.28Å; L429-V597 HydrophobicContact CD1-CB 3.93Å; L429-V597 HydrophobicContact CD1-CG1 4.2Å; F440-V597 HydrophobicContact CE1-CG1 3.88Å; F440-V597 HydrophobicContact CE2-CG1 4.23Å; F440-V597 HydrophobicContact CZ-CG1 3.58Å; L593-V597 HydrophobicContact CD1-CG1 4.04Å; L593-V597 HydrophobicContact CD1-CG2 3.88Å; L593-V597 HydrophobicContact CG-CG2 4.02Å; L593-V597 WeakPolarHBondContact O-CG2 3.41Å; L593-V597 PolarHBondContact O-N 2.85Å; V597-R601 HydrophobicContact CB-CB 4.47Å; V597-R601 HydrophobicContact CB-CG 4.34Å; V597-R601 HydrophobicContact CG2-CB 4.06Å; V597-R601 HydrophobicContact CG2-CG 4.12Å; V597-R601 WeakPolarHBondContact O-CB 3.37Å; V597-R601 PolarHBondContact O-NH1 2.89Å; V597-R601 VanDerWaalsContact O-NH1 3.14Å; V597-A602 HydrophobicContact CG2-CB 3.97Å; V597-M605 HydrophobicContact CG2-SD 4.05Å
598	G	91.2	Very high	92.1	Very high	2 Å²	2	48.4 Å²	48.4	2%	0.021	26%	0.258	C	S	.	.			trans	89.1	145.3	-175.2	0	0	0	0	0	113	K425 T594 N600 R601 A602	K425-G598 WeakPolarHBondContact O-CA 3.35Å; T594-G598 VanDerWaalsContact O-CA 3.3Å; T594-G598 WeakPolarHBondContact O-CA 3.25Å; T594-G598 PolarHBondContact O-N 2.96Å; G598-N600 VanDerWaalsContact C-N 3.34Å; G598-N600 PolarHBondContact O-N 3.18Å; G598-R601 PolarHBondContact O-N 2.72Å; G598-A602 WeakPolarHBondContact O-CB 3.32Å; G598-A602 PolarHBondContact O-N 3.02Å
599	A	88.6	Confident	92	Very high	38 Å²	38	54.5 Å²	54.5	31%	0.314	29%	0.288	S	S	.	.	H	α-helix	trans	-58	-40.1	-171.5	0	0	0	0	0	113.9	T594 K603	T594-A599 HydrophobicContact CG2-CB 3.91Å; A599-K603 WeakPolarHBondContact O-CB 3.38Å; A599-K603 PolarHBondContact O-N 3.06Å
600	N	89.7	Confident	91.9	Very high	117 Å²	117	57.2 Å²	57.2	63%	0.626	31%	0.307	S	S	*	.	H	α-helix	trans	-64	-46.3	179.2	-69.5	-25.3	0	0	0	111.8	G598 Q604	G598-N600 VanDerWaalsContact C-N 3.34Å; G598-N600 PolarHBondContact O-N 3.18Å; N600-Q604 WeakPolarHBondContact O-CG 3.16Å; N600-Q604 PolarHBondContact O-N 2.87Å
601	R	91.7	Very high	91.9	Very high	83 Å²	83	56.1 Å²	56.1	31%	0.313	31%	0.307	S	S	.	.	H	α-helix	trans	-71.9	-37.5	179.9	-172.1	179.4	-77.4	113.3	-7.8	111.2	D426 V597 G598 Q604 M605	D426-R601 IonicContact OD1-NH1 3.19Å; V597-R601 HydrophobicContact CB-CB 4.47Å; V597-R601 HydrophobicContact CB-CG 4.34Å; V597-R601 HydrophobicContact CG2-CB 4.06Å; V597-R601 HydrophobicContact CG2-CG 4.12Å; V597-R601 WeakPolarHBondContact O-CB 3.37Å; V597-R601 PolarHBondContact O-NH1 2.89Å; V597-R601 VanDerWaalsContact O-NH1 3.14Å; G598-R601 PolarHBondContact O-N 2.72Å; R601-Q604 PolarHBondContact O-N 3.36Å; R601-M605 HydrophobicContact CG-CG 4.48Å; R601-M605 HydrophobicContact CG-SD 4.07Å; R601-M605 WeakPolarHBondContact O-CB 3.47Å; R601-M605 VanDerWaalsContact O-CG 3.28Å; R601-M605 WeakPolarHBondContact O-CG 3.37Å; R601-M605 PolarHBondContact O-N 3.27Å
602	A	92.5	Very high	92.1	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-60	-47.2	173.4	0	0	0	0	0	111.5	L593 V597 G598 Q604 M605 L606	L593-A602 HydrophobicContact CD2-CB 4.02Å; L593-A602 HydrophobicContact CG-CB 3.88Å; V597-A602 HydrophobicContact CG2-CB 3.97Å; G598-A602 WeakPolarHBondContact O-CB 3.32Å; G598-A602 PolarHBondContact O-N 3.02Å; A602-Q604 PolarHBondContact O-N 3.5Å; A602-M605 PolarHBondContact O-N 3.32Å; A602-L606 WeakPolarHBondContact O-CB 3.3Å; A602-L606 VanDerWaalsContact O-CG 3.3Å; A602-L606 WeakPolarHBondContact O-CG 3.37Å; A602-L606 PolarHBondContact O-N 2.91Å
603	K	92.3	Very high	92.1	Very high	142 Å²	142	56.8 Å²	56.8	62%	0.617	31%	0.311	S	S	*	.	H	α-helix	trans	-59.5	-43.8	174.4	-175.3	174.3	-179.5	176.3	0	112.1	A599 L606 C607	A599-K603 WeakPolarHBondContact O-CB 3.38Å; A599-K603 PolarHBondContact O-N 3.06Å; K603-L606 PolarHBondContact O-N 3.22Å; K603-C607 WeakPolarHBondContact O-CB 3.19Å; K603-C607 PolarHBondContact O-N 3.33Å; K603-C607 PolarHBondContact O-SG 2.87Å; K603-C607 VanDerWaalsContact O-SG 3.42Å
604	Q	93.1	Very high	92	Very high	135 Å²	135	62.5 Å²	62.5	63%	0.631	34%	0.341	S	S	*	.	H	α-helix	trans	-60	-47	174.6	-72.8	168.4	-14.2	0	0	111.9	N600 R601 A602 L606 C607 S608	N600-Q604 WeakPolarHBondContact O-CG 3.16Å; N600-Q604 PolarHBondContact O-N 2.87Å; R601-Q604 PolarHBondContact O-N 3.36Å; A602-Q604 PolarHBondContact O-N 3.5Å; Q604-L606 VanDerWaalsContact C-N 3.3Å; Q604-L606 PolarHBondContact O-N 3.24Å; Q604-C607 PolarHBondContact O-N 3.13Å; Q604-S608 WeakPolarHBondContact O-CB 3.47Å; Q604-S608 PolarHBondContact O-N 3.38Å
605	M	94.2	Very high	91.7	Very high	7 Å²	7	61 Å²	61	3%	0.034	33%	0.331	C	S	.	.	H	α-helix	trans	-67.3	-26	178.6	-71.6	173.6	59.6	0	0	113.9	F440 Y585 L593 V597 R601 A602 H613	F440-M605 HydrophobicContact CB-CE 3.48Å; F440-M605 VanDerWaalsContact CB-CE 3.48Å; F440-M605 HydrophobicContact CD1-CE 3.84Å; F440-M605 HydrophobicContact CD2-CE 4.22Å; F440-M605 HydrophobicContact CG-CE 3.6Å; Y585-M605 HydrophobicContact CE1-CE 3.98Å; Y585-M605 PolarHBondContact OH-O 3.3Å; L593-M605 HydrophobicContact CD1-CE 3.79Å; L593-M605 HydrophobicContact CD1-SD 4.33Å; L593-M605 HydrophobicContact CD2-CB 4.46Å; V597-M605 HydrophobicContact CG2-SD 4.05Å; R601-M605 HydrophobicContact CG-CG 4.48Å; R601-M605 HydrophobicContact CG-SD 4.07Å; R601-M605 WeakPolarHBondContact O-CB 3.47Å; R601-M605 VanDerWaalsContact O-CG 3.28Å; R601-M605 WeakPolarHBondContact O-CG 3.37Å; R601-M605 PolarHBondContact O-N 3.27Å; A602-M605 PolarHBondContact O-N 3.32Å; M605-H613 HydrophobicContact CE-CB 4.12Å; M605-H613 HydrophobicContact CG-CB 4.15Å; M605-H613 PolarHBondContact O-CE1 2.77Å; M605-H613 HydrophobicContact SD-CB 4.46Å
606	L	92.3	Very high	91.1	Very high	34 Å²	34	62.9 Å²	62.9	18%	0.178	34%	0.339	C	S	.	.	H	α-helix	trans	-83	-38.7	176.1	-72	168.8	0	0	0	112.2	R442 Y585 R587 E590 L593 A602 K603 Q604	R442-L606 PolarHBondContact NH1-O 3.15Å; Y585-L606 HydrophobicContact CE2-CD2 4.1Å; R587-L606 HydrophobicContact CB-CD2 4.32Å; E590-L606 HydrophobicContact CB-CD1 3.89Å; E590-L606 HydrophobicContact CG-CD1 3.69Å; L593-L606 HydrophobicContact CD2-CD1 4.33Å; L593-L606 HydrophobicContact CD2-CD2 4.36Å; L593-L606 HydrophobicContact CD2-CG 4.07Å; A602-L606 WeakPolarHBondContact O-CB 3.3Å; A602-L606 VanDerWaalsContact O-CG 3.3Å; A602-L606 WeakPolarHBondContact O-CG 3.37Å; A602-L606 PolarHBondContact O-N 2.91Å; K603-L606 PolarHBondContact O-N 3.22Å; Q604-L606 VanDerWaalsContact C-N 3.3Å; Q604-L606 PolarHBondContact O-N 3.24Å
607	C	92.4	Very high	89.9	Confident	98 Å²	98	63.9 Å²	63.9	66%	0.662	35%	0.345	S	S	*	.	H	α-helix	trans	-83.8	-15.6	177.2	-63.3	0	0	0	0	114.4	K603 Q604	K603-C607 WeakPolarHBondContact O-CB 3.19Å; K603-C607 PolarHBondContact O-N 3.33Å; K603-C607 PolarHBondContact O-SG 2.87Å; K603-C607 VanDerWaalsContact O-SG 3.42Å; Q604-C607 PolarHBondContact O-N 3.13Å
608	S	92.5	Very high	88.1	Confident	39 Å²	39	70.7 Å²	70.7	27%	0.273	38%	0.382	S	S	.	.			trans	-61.6	144.2	178.9	179.3	0	0	0	0	112.2	R442 Q604 S610 H613	R442-S608 PolarHBondContact NH1-O 3.13Å; R442-S608 PolarHBondContact NH2-O 2.87Å; Q604-S608 WeakPolarHBondContact O-CB 3.47Å; Q604-S608 PolarHBondContact O-N 3.38Å; S608-S610 PolarHBondContact OG-N 3.31Å; S608-S610 VanDerWaalsContact OG-N 3.16Å; S608-H613 VanDerWaalsContact CB-NE2 3.32Å; S608-H613 WeakPolarHBondContact CB-NE2 3.26Å; S608-H613 PolarHBondContact OG-NE2 3.3Å; S608-H613 VanDerWaalsContact OG-NE2 3.15Å
609	E	90.3	Very high	85.9	Confident	189 Å²	189	80.9 Å²	80.9	88%	0.883	43%	0.429	S	S	*	.	S	Bend	trans	-70.3	-33.6	169.1	-64.3	178.8	172.1	0	0	111.8	R442 V611	R442-E609 PolarHBondContact NH2-O 2.9Å; E609-V611 PolarHBondContact O-N 2.55Å
610	S	90.5	Very high	85.8	Confident	59 Å²	59	83.1 Å²	83.1	41%	0.413	44%	0.435	S	S	.	.			trans	-59.8	136	-179.2	-173.7	0	0	0	0	111.9	R442 S608 T612 H613	R442-S610 PolarHBondContact NH2-O 2.65Å; R442-S610 VanDerWaalsContact NH2-O 3.11Å; S608-S610 PolarHBondContact OG-N 3.31Å; S608-S610 VanDerWaalsContact OG-N 3.16Å; S610-T612 PolarHBondContact OG-N 3.21Å; S610-T612 PolarHBondContact OG-O 3.47Å; S610-H613 PolarHBondContact O-CE1 3.37Å; S610-H613 PolarHBondContact O-NE2 3.49Å
611	V	92.2	Very high	85.6	Confident	81 Å²	81	81.3 Å²	81.3	49%	0.491	42%	0.424	S	S	.	.	S	Bend	trans	-78.6	-22.7	174.6	-175.6	0	0	0	0	111.4	T441 R442 E609	T441-V611 WeakPolarHBondContact CA-O 3.2Å; T441-V611 HydrophobicContact CG2-CG1 4.35Å; R442-V611 PolarHBondContact N-O 3.43Å; R442-V611 VanDerWaalsContact O-CG1 3.28Å; R442-V611 WeakPolarHBondContact O-CG1 3.36Å; E609-V611 PolarHBondContact O-N 2.55Å
612	T	92.6	Very high	85.2	Confident	59 Å²	59	81.2 Å²	81.2	36%	0.362	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.8	-179.2	-66.7	0	0	0	0	111.5	R439 F440 T441 S610	R439-T612 HydrophobicContact CG-CG2 3.63Å; F440-T612 CarbonylContact O-C 3.56Å; F440-T612 WeakPolarHBondContact O-CA 3.32Å; T441-T612 PolarHBondContact OG1-OG1 2.95Å; S610-T612 PolarHBondContact OG-N 3.21Å; S610-T612 PolarHBondContact OG-O 3.47Å
613	H	93.1	Very high	84.8	Confident	28 Å²	28	85.9 Å²	85.9	13%	0.13	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.4	177.4	-49.7	94.2	0	0	0	108.8	F440 Y585 M605 S608 S610	F440-H613 PolarHBondContact N-O 3.05Å; F440-H613 PolarHBondContact O-N 3.22Å; Y585-H613 PolarHBondContact OH-CE1 2.6Å; Y585-H613 PolarHBondContact OH-ND1 3.32Å; Y585-H613 VanDerWaalsContact OH-ND1 3.13Å; M605-H613 HydrophobicContact CE-CB 4.12Å; M605-H613 HydrophobicContact CG-CB 4.15Å; M605-H613 PolarHBondContact O-CE1 2.77Å; M605-H613 HydrophobicContact SD-CB 4.46Å; S608-H613 VanDerWaalsContact CB-NE2 3.32Å; S608-H613 WeakPolarHBondContact CB-NE2 3.26Å; S608-H613 PolarHBondContact OG-NE2 3.3Å; S608-H613 VanDerWaalsContact OG-NE2 3.15Å; S610-H613 PolarHBondContact O-CE1 3.37Å; S610-H613 PolarHBondContact O-NE2 3.49Å
614	L	92	Very high	84.3	Confident	120 Å²	120	82.4 Å²	82.4	63%	0.628	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.6	173	-177.2	65.3	0	0	0	108.9	P437 V616	P437-L614 HydrophobicContact CB-CD1 4.11Å; L614-V616 HydrophobicContact CD2-CG2 4.4Å; L614-V616 HydrophobicContact CG-CG2 4.31Å
615	V	87.6	Confident	83.7	Confident	12 Å²	12	78.9 Å²	78.9	7%	0.073	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.8	168.6	179.2	0	0	0	0	107.8	L429 Q438 F440	L429-V615 HydrophobicContact CD1-CG1 3.93Å; L429-V615 HydrophobicContact CD2-CG1 4.27Å; Q438-V615 HydrophobicContact CB-CB 4.22Å; Q438-V615 PolarHBondContact N-O 2.94Å; Q438-V615 PolarHBondContact O-N 3.36Å; F440-V615 HydrophobicContact CD2-CG2 4.03Å; F440-V615 HydrophobicContact CE2-CB 4.2Å; F440-V615 HydrophobicContact CE2-CG2 3.93Å
616	V	77.7	Confident	83	Confident	76 Å²	76	84 Å²	84	46%	0.461	46%	0.462	S	S	.	.			trans	-114.9	131.4	165.9	-178.4	0	0	0	0	106.3	L614	L614-V616 HydrophobicContact CD2-CG2 4.4Å; L614-V616 HydrophobicContact CG-CG2 4.31Å
617	T	68.6	Low	82.3	Confident	21 Å²	21	87.8 Å²	87.8	13%	0.129	48%	0.483	C	S	.	.			trans	-91.1	101.1	170	45.7	0	0	0	0	107.7	L429	L429-T617 HydrophobicContact CB-CG2 4.15Å
618	D	56	Low	81.4	Confident	144 Å²	144	87 Å²	87	77%	0.77	47%	0.468	S	S	*	.			trans	-69.5	166.5	165.7	-59.2	-46.4	0	0	0	110.3
619	E	44.1	Very low	80.4	Confident	216 Å²	216	91.4 Å²	91.4	100%	1.009	49%	0.486	S	S	*	.			trans	-80	0	-167.4	-70.2	175.1	165.8	0	0	115.7	R435	R435-E619 IonicContact CZ-OE1 2.84Å; R435-E619 IonicContact CZ-OE2 2.67Å; R435-E619 IonicContact NE-OE1 3.19Å; R435-E619 PolarHBondContact NE-OE1 3.16Å; R435-E619 IonicContact NH2-OE1 2.7Å; R435-E619 PolarHBondContact NH2-OE1 3.11Å; R435-E619 IonicContact NH2-OE2 3.1Å; R435-E619 PolarHBondContact NH2-OE2 2.91Å

Retrieved 619 of 619 residues in 284.8 ms (Link to these results)

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