A0A087YG62_POEFO Loading...

Protein disulfide-isomerase

AlphaFold DB , UniProt , Accession A0A087YG62, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 510 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	39.5	Very low	229 Å²	229	164.5 Å²	164.5	100%	1.128	83%	0.834	S	S	*	*				0	115.3	0	-67.2	-173	-149.2	0	0	105.5
2	F	36.4	Very low	39.6	Very low	188 Å²	188	161.8 Å²	161.8	83%	0.825	83%	0.83	S	S	*	*			cis	-150.4	142.4	25.9	-102.6	-97.6	0	0	0	108.7
3	K	38.3	Very low	39.6	Very low	200 Å²	200	156.6 Å²	156.6	87%	0.87	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-80.3	130.6	163.4	-84.5	176.7	171.3	178.8	0	107.8
4	F	39.1	Very low	39.7	Very low	197 Å²	197	153.4 Å²	153.4	86%	0.864	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-102.8	118.4	166.6	-127.2	-94.6	0	0	0	108
5	W	42.5	Very low	40.7	Very low	219 Å²	219	154.9 Å²	154.9	83%	0.83	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-99.8	118	175.6	-136.6	46.1	0	0	0	106.5	L7	W5-L7 HydrophobicContact CE3-CD1 3.48Å; W5-L7 VanDerWaalsContact CE3-CD1 3.48Å; W5-L7 HydrophobicContact CZ3-CD1 3.47Å; W5-L7 VanDerWaalsContact CZ3-CD1 3.47Å
6	L	40	Very low	41.7	Very low	157 Å²	157	148.8 Å²	148.8	82%	0.822	79%	0.792	S	S	*	*			trans	-86.8	108.8	174.4	-156.6	80.3	0	0	0	107.2
7	L	40	Very low	43.7	Very low	123 Å²	123	149.6 Å²	149.6	64%	0.644	80%	0.796	S	S	*	*			trans	-87.3	107.7	175.3	-140.2	88.7	0	0	0	107.8	W5 T9	W5-L7 HydrophobicContact CE3-CD1 3.48Å; W5-L7 VanDerWaalsContact CE3-CD1 3.48Å; W5-L7 HydrophobicContact CZ3-CD1 3.47Å; W5-L7 VanDerWaalsContact CZ3-CD1 3.47Å; L7-T9 PolarHBondContact O-N 3.37Å
8	C	39.5	Very low	46.2	Very low	111 Å²	111	142.7 Å²	142.7	75%	0.75	76%	0.759	S	S	*	*			trans	-76.7	108.3	165.2	-80.8	0	0	0	0	108.6	L10	C8-L10 PolarHBondContact O-N 3.39Å
9	T	41.2	Very low	48.7	Very low	126 Å²	126	138.6 Å²	138.6	77%	0.773	75%	0.747	S	S	*	*			trans	-77.5	106	166.7	43	0	0	0	0	109.1	L7 A11	L7-T9 PolarHBondContact O-N 3.37Å; T9-A11 PolarHBondContact O-N 3.26Å
10	L	42	Very low	51	Low	159 Å²	159	135.6 Å²	135.6	83%	0.832	73%	0.728	S	S	*	*			trans	-67.5	113.1	159.4	-91.4	113.8	0	0	0	107.9	C8 V12	C8-L10 PolarHBondContact O-N 3.39Å; L10-V12 PolarHBondContact O-N 3.33Å
11	A	37.1	Very low	53.1	Low	101 Å²	101	134.1 Å²	134.1	84%	0.835	72%	0.717	S	S	*	*			trans	-73.7	105.2	164	0	0	0	0	0	107.8	T9 A13	T9-A11 PolarHBondContact O-N 3.26Å; A11-A13 PolarHBondContact O-N 3.26Å
12	V	39.7	Very low	55.7	Low	131 Å²	131	129.6 Å²	129.6	79%	0.794	70%	0.697	S	S	*	*			trans	-78.9	106.4	165.9	179.6	0	0	0	0	105.9	L10 S14	L10-V12 PolarHBondContact O-N 3.33Å; V12-S14 PolarHBondContact O-N 3.38Å
13	A	39.9	Very low	58.6	Low	95 Å²	95	123.4 Å²	123.4	79%	0.785	67%	0.673	S	S	*	*			trans	-67.8	113.4	166.7	0	0	0	0	0	107.6	A11 R15	A11-A13 PolarHBondContact O-N 3.26Å; A13-R15 PolarHBondContact O-N 3.3Å
14	S	41.4	Very low	61.4	Low	112 Å²	112	114.1 Å²	114.1	78%	0.783	63%	0.633	S	S	*	*			trans	-70.9	112.6	170.2	55	0	0	0	0	108.3	V12	V12-S14 PolarHBondContact O-N 3.38Å
15	R	54.5	Low	64.2	Low	176 Å²	176	104.8 Å²	104.8	66%	0.664	59%	0.592	S	S	*	*			trans	-60.1	134.4	162.1	-90.2	178.3	168.2	172.7	-6.9	107.9	A13 D17	A13-R15 PolarHBondContact O-N 3.3Å; R15-D17 PolarHBondContact O-N 3.15Å
16	A	56	Low	66.8	Low	57 Å²	57	95.8 Å²	95.8	47%	0.471	56%	0.561	S	S	.	*			trans	-70.5	126.7	169.1	0	0	0	0	0	107.5	I18 E34	A16-I18 PolarHBondContact O-N 3.19Å; A16-E34 WeakPolarHBondContact CB-OE1 3.46Å; A16-E34 PolarHBondContact N-OE1 3.42Å; A16-E34 VanDerWaalsContact N-OE1 3.15Å
17	D	75.8	Confident	69.6	Low	162 Å²	162	88.4 Å²	88.4	87%	0.866	52%	0.522	S	S	*	.			trans	-70.5	112.5	175	-75.6	-36.9	0	0	0	108.4	R15	R15-D17 PolarHBondContact O-N 3.15Å
18	I	89.7	Confident	72.3	Confident	26 Å²	26	86.3 Å²	86.3	13%	0.133	51%	0.508	C	S	.	.			trans	-70.6	132.2	173.8	-58.6	-178.7	0	0	0	108	A16 L25 L27 A35	A16-I18 PolarHBondContact O-N 3.19Å; I18-L25 HydrophobicContact CB-CD2 4.02Å; I18-L25 HydrophobicContact CG2-CB 4.3Å; I18-L25 HydrophobicContact CG2-CD2 3.88Å; I18-L27 HydrophobicContact CG2-CD2 4.25Å; I18-A35 VanDerWaalsContact CD1-CA 3.48Å; I18-A35 HydrophobicContact CD1-CB 3.46Å; I18-A35 VanDerWaalsContact CD1-CB 3.46Å
19	A	93.3	Very high	74.9	Confident	64 Å²	64	85.7 Å²	85.7	53%	0.529	49%	0.493	S	S	.	.			trans	-60.7	141.5	179.4	0	0	0	0	0	111.3	V26	A19-V26 HydrophobicContact CB-CB 4.37Å; A19-V26 PolarHBondContact O-N 2.69Å
20	E	94.4	Very high	77.5	Confident	78 Å²	78	85 Å²	85	36%	0.364	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.6	177.3	-71.2	-179.1	-164.2	0	0	110.3	V24 L25 K69 R76	E20-V24 CarbonylContact C-O 3.56Å; E20-V24 VanDerWaalsContact CA-O 3.29Å; E20-V24 WeakPolarHBondContact CA-O 3.32Å; E20-L25 HydrophobicContact CG-CD2 3.69Å; E20-L25 HydrophobicContact CG-CG 4.48Å; E20-K69 IonicContact OE2-NZ 3.91Å; E20-K69 PolarHBondContact OE2-NZ 3.43Å; E20-R76 IonicContact OE1-CZ 2.81Å; E20-R76 IonicContact OE1-NH1 3.06Å; E20-R76 PolarHBondContact OE1-NH1 3.03Å; E20-R76 IonicContact OE1-NH2 2.91Å; E20-R76 PolarHBondContact OE1-NH2 3.31Å; E20-R76 IonicContact OE2-NH2 3.03Å; E20-R76 PolarHBondContact OE2-NH2 3.49Å
21	E	94.7	Very high	80	Confident	106 Å²	106	78.7 Å²	78.7	50%	0.495	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.1	168.3	-72	-178.1	-171.6	0	0	108.4	D23 V24 V26 K79	E21-D23 VanDerWaalsContact C-N 3.3Å; E21-D23 PolarHBondContact O-N 2.94Å; E21-V24 PolarHBondContact N-O 3.49Å; E21-V24 VanDerWaalsContact O-CB 3.3Å; E21-V24 WeakPolarHBondContact O-CB 3.35Å; E21-V24 PolarHBondContact O-N 3.15Å; E21-V26 HydrophobicContact CB-CG2 4.24Å; E21-V26 HydrophobicContact CG-CG2 3.81Å; E21-K79 WeakPolarHBondContact OE2-CE 3.43Å; E21-K79 IonicContact OE2-NZ 3.22Å; E21-K79 PolarHBondContact OE2-NZ 3.07Å
22	D	94.9	Very high	82.8	Confident	133 Å²	133	73.9 Å²	73.9	71%	0.711	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	48.3	-176.6	-58.5	-39.6	0	0	0	113.3	V24 A62	D22-V24 PolarHBondContact O-N 2.9Å; D22-A62 HydrophobicContact CB-CB 3.74Å
23	D	95.7	Very high	85.3	Confident	58 Å²	58	71.4 Å²	71.4	31%	0.31	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	1.4	-177	-58.8	-47.5	0	0	0	116	E21 A65 K69 R76	E21-D23 VanDerWaalsContact C-N 3.3Å; E21-D23 PolarHBondContact O-N 2.94Å; D23-A65 HydrophobicContact CB-CB 4.08Å; D23-K69 HydrophobicContact CB-CD 3.97Å; D23-K69 VanDerWaalsContact OD1-CD 3.23Å; D23-K69 WeakPolarHBondContact OD1-CD 3.28Å; D23-K69 WeakPolarHBondContact OD1-CE 3.5Å; D23-K69 IonicContact OD1-NZ 2.61Å; D23-K69 PolarHBondContact OD1-NZ 3.37Å; D23-R76 PolarHBondContact O-NH2 3.2Å
24	V	97.8	Very high	87.9	Confident	5 Å²	5	70.3 Å²	70.3	3%	0.03	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.1	175.7	-173.7	0	0	0	0	110.3	E20 E21 D22 Y61 A62 A65 K79	E20-V24 CarbonylContact C-O 3.56Å; E20-V24 VanDerWaalsContact CA-O 3.29Å; E20-V24 WeakPolarHBondContact CA-O 3.32Å; E21-V24 PolarHBondContact N-O 3.49Å; E21-V24 VanDerWaalsContact O-CB 3.3Å; E21-V24 WeakPolarHBondContact O-CB 3.35Å; E21-V24 PolarHBondContact O-N 3.15Å; D22-V24 PolarHBondContact O-N 2.9Å; V24-Y61 HydrophobicContact CG1-CD1 4.06Å; V24-Y61 HydrophobicContact CG1-CE1 3.88Å; V24-Y61 HydrophobicContact CG2-CD1 4.01Å; V24-Y61 HydrophobicContact CG2-CE1 4.49Å; V24-A62 HydrophobicContact CG2-CB 4.3Å; V24-A65 HydrophobicContact CG2-CB 3.88Å; V24-K79 HydrophobicContact CG1-CB 4.04Å; V24-K79 HydrophobicContact CG1-CD 4.07Å; V24-K79 HydrophobicContact CG1-CG 3.92Å
25	L	97.8	Very high	90.4	Very high	2 Å²	2	65 Å²	65	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	131.3	177.3	-64.3	166.4	0	0	0	111	I18 E20 L27 L42 R76 L77 G78 K79	I18-L25 HydrophobicContact CB-CD2 4.02Å; I18-L25 HydrophobicContact CG2-CB 4.3Å; I18-L25 HydrophobicContact CG2-CD2 3.88Å; E20-L25 HydrophobicContact CG-CD2 3.69Å; E20-L25 HydrophobicContact CG-CG 4.48Å; L25-L27 HydrophobicContact CB-CD2 3.88Å; L25-L27 HydrophobicContact CB-CG 4.25Å; L25-L27 PolarHBondContact O-N 3.06Å; L25-L42 HydrophobicContact CD1-CD1 3.81Å; L25-R76 HydrophobicContact CD1-CB 3.86Å; L25-R76 HydrophobicContact CD1-CG 4.33Å; L25-L77 PolarHBondContact N-O 3.46Å; L25-G78 CarbonylContact O-C 3.54Å; L25-G78 WeakPolarHBondContact O-CA 3.4Å; L25-K79 PolarHBondContact O-N 2.97Å
26	V	97.8	Very high	92.2	Very high	29 Å²	29	57 Å²	57	18%	0.176	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	105.3	172.8	-176.5	0	0	0	0	108.4	A19 E21 N31	A19-V26 HydrophobicContact CB-CB 4.37Å; A19-V26 PolarHBondContact O-N 2.69Å; E21-V26 HydrophobicContact CB-CG2 4.24Å; E21-V26 HydrophobicContact CG-CG2 3.81Å; V26-N31 PolarHBondContact O-ND2 3.28Å
27	L	97.8	Very high	93.8	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	33%	0.328	C	S	.	.			trans	-101.2	139.4	-173.5	-57	-179.1	0	0	0	110.7	I18 L25 N31 F32 A35 L42 V44 K79 V80	I18-L27 HydrophobicContact CG2-CD2 4.25Å; L25-L27 HydrophobicContact CB-CD2 3.88Å; L25-L27 HydrophobicContact CB-CG 4.25Å; L25-L27 PolarHBondContact O-N 3.06Å; L27-N31 WeakPolarHBondContact CA-OD1 3.23Å; L27-F32 HydrophobicContact CB-CD2 4.05Å; L27-F32 HydrophobicContact CD1-CD2 3.98Å; L27-F32 HydrophobicContact CD1-CE2 3.83Å; L27-A35 HydrophobicContact CD2-CB 3.5Å; L27-A35 VanDerWaalsContact CD2-CB 3.5Å; L27-L42 HydrophobicContact CD1-CD2 3.92Å; L27-V44 HydrophobicContact CD1-CG1 4.09Å; L27-V44 HydrophobicContact CD1-CG2 3.71Å; L27-K79 WeakPolarHBondContact CB-O 3Å; L27-K79 PolarHBondContact N-O 3.28Å; L27-V80 HydrophobicContact CB-CG2 3.7Å
28	K	97.1	Very high	94.6	Very high	80 Å²	80	54.5 Å²	54.5	35%	0.348	30%	0.295	S	S	.	.			trans	-135.2	161	179.2	-60.4	-166.3	175.9	-147.8	0	108.7	S30 N31 F32 E85	K28-S30 PolarHBondContact O-N 3.49Å; K28-N31 PolarHBondContact N-OD1 2.94Å; K28-N31 PolarHBondContact O-N 2.82Å; K28-N31 PolarHBondContact O-OD1 3.17Å; K28-F32 WeakPolarHBondContact O-CB 3.29Å; K28-F32 PolarHBondContact O-N 3.2Å; K28-E85 WeakPolarHBondContact CB-OE1 3.48Å; K28-E85 WeakPolarHBondContact CG-OE1 3.23Å
29	K	94.4	Very high	94.8	Very high	98 Å²	98	55.3 Å²	55.3	43%	0.426	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-35.8	174.3	-175.4	168.7	179	168.5	0	112.3	N31 E85 E87	K29-N31 VanDerWaalsContact C-N 3.35Å; K29-N31 PolarHBondContact O-N 3.14Å; K29-E85 VanDerWaalsContact CB-OE2 3.31Å; K29-E85 WeakPolarHBondContact CB-OE2 2.99Å; K29-E85 PolarHBondContact N-OE2 2.82Å; K29-E87 HydrophobicContact CD-CB 4.35Å; K29-E87 WeakPolarHBondContact CD-OE2 3.39Å; K29-E87 IonicContact NZ-OE2 2.67Å; K29-E87 PolarHBondContact NZ-OE2 3.24Å
30	S	95.4	Very high	94.4	Very high	110 Å²	110	55.1 Å²	55.1	77%	0.769	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.5	-178.9	65	0	0	0	0	115.8	K28	K28-S30 PolarHBondContact O-N 3.49Å
31	N	95.6	Very high	94.4	Very high	27 Å²	27	52.8 Å²	52.8	14%	0.144	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-1.1	-176	72.1	7.8	0	0	0	113.8	V26 L27 K28 K29 D33 E34 A35	V26-N31 PolarHBondContact O-ND2 3.28Å; L27-N31 WeakPolarHBondContact CA-OD1 3.23Å; K28-N31 PolarHBondContact N-OD1 2.94Å; K28-N31 PolarHBondContact O-N 2.82Å; K28-N31 PolarHBondContact O-OD1 3.17Å; K29-N31 VanDerWaalsContact C-N 3.35Å; K29-N31 PolarHBondContact O-N 3.14Å; N31-D33 PolarHBondContact O-N 2.97Å; N31-E34 PolarHBondContact O-N 2.82Å; N31-A35 PolarHBondContact O-N 2.96Å
32	F	95.1	Very high	94.5	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-47.5	-175.3	-164.5	-96.9	0	0	0	112.5	L27 K28 E34 A35 L36 V44 V80 L88 Y92 F103	L27-F32 HydrophobicContact CB-CD2 4.05Å; L27-F32 HydrophobicContact CD1-CD2 3.98Å; L27-F32 HydrophobicContact CD1-CE2 3.83Å; K28-F32 WeakPolarHBondContact O-CB 3.29Å; K28-F32 PolarHBondContact O-N 3.2Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 2.86Å; F32-A35 WeakPolarHBondContact O-CB 3.23Å; F32-A35 PolarHBondContact O-N 2.99Å; F32-A35 VanDerWaalsContact O-N 3.15Å; F32-L36 HydrophobicContact CD1-CD1 3.81Å; F32-L36 HydrophobicContact CD1-CG 4.25Å; F32-L36 HydrophobicContact CE1-CD1 3.49Å; F32-L36 VanDerWaalsContact CE1-CD1 3.49Å; F32-L36 HydrophobicContact CE1-CG 4Å; F32-L36 HydrophobicContact CZ-CD1 4.44Å; F32-L36 PolarHBondContact O-N 2.75Å; F32-V44 HydrophobicContact CE2-CG1 4.17Å; F32-V44 HydrophobicContact CE2-CG2 4.03Å; F32-V44 HydrophobicContact CZ-CG2 4.2Å; F32-V80 HydrophobicContact CD2-CG2 4.39Å; F32-V80 HydrophobicContact CE2-CG2 4.23Å; F32-L88 HydrophobicContact CB-CD1 4.46Å; F32-L88 HydrophobicContact CB-CD2 4.25Å; F32-L88 HydrophobicContact CD1-CD1 4.2Å; F32-L88 HydrophobicContact CD2-CD1 4.45Å; F32-L88 HydrophobicContact CD2-CD2 3.69Å; F32-L88 HydrophobicContact CE2-CD2 4.24Å; F32-L88 HydrophobicContact CG-CD1 4.12Å; F32-L88 HydrophobicContact CG-CD2 4.02Å; F32-Y92 HydrophobicContact CD1-CE2 4.37Å; F32-Y92 AromaticContact CE1-CE2 3.65Å; F32-Y92 HydrophobicContact CE1-CE2 3.65Å; F32-Y92 AromaticContact CE1-CZ 3.78Å; F32-Y92 VanDerWaalsContact CE1-OH 3.25Å; F32-Y92 WeakPolarHBondContact CE1-OH 3.3Å; F32-Y92 AromaticContact CZ-CE2 3.86Å; F32-Y92 HydrophobicContact CZ-CE2 3.86Å; F32-F103 HydrophobicContact CE1-CE1 4.03Å; F32-F103 HydrophobicContact CE1-CZ 4Å; F32-F103 HydrophobicContact CZ-CD2 4.48Å; F32-F103 HydrophobicContact CZ-CE1 4.05Å; F32-F103 AromaticContact CZ-CE2 3.81Å; F32-F103 HydrophobicContact CZ-CE2 3.81Å; F32-F103 AromaticContact CZ-CZ 3.57Å; F32-F103 HydrophobicContact CZ-CZ 3.57Å
33	D	92.6	Very high	94.6	Very high	78 Å²	78	41.4 Å²	41.4	42%	0.417	23%	0.225	S	C	.	.	H	α-helix	trans	-65.7	-36.9	180	-64.9	-26.2	0	0	0	111.5	N31 A35 L36 L37 K108	N31-D33 PolarHBondContact O-N 2.97Å; D33-A35 VanDerWaalsContact C-N 3.34Å; D33-L36 PolarHBondContact O-N 3.21Å; D33-L37 WeakPolarHBondContact O-CB 3.44Å; D33-L37 VanDerWaalsContact O-CG 3.28Å; D33-L37 WeakPolarHBondContact O-CG 3.45Å; D33-L37 PolarHBondContact O-N 3.14Å; D33-K108 WeakPolarHBondContact OD1-CE 3.38Å; D33-K108 IonicContact OD1-NZ 2.97Å; D33-K108 PolarHBondContact OD1-NZ 3.4Å; D33-K108 IonicContact OD2-NZ 3.14Å
34	E	93.2	Very high	94.8	Very high	73 Å²	73	38.7 Å²	38.7	34%	0.341	21%	0.21	S	C	.	.	H	α-helix	trans	-65.1	-39.8	173.7	-175.6	175.2	-170.5	0	0	111.2	A16 N31 F32 L37 A38	A16-E34 WeakPolarHBondContact CB-OE1 3.46Å; A16-E34 PolarHBondContact N-OE1 3.42Å; A16-E34 VanDerWaalsContact N-OE1 3.15Å; N31-E34 PolarHBondContact O-N 2.82Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 2.86Å; E34-L37 PolarHBondContact O-N 2.7Å; E34-A38 VanDerWaalsContact O-CB 3.32Å; E34-A38 WeakPolarHBondContact O-CB 3.38Å; E34-A38 PolarHBondContact O-N 2.78Å
35	A	94.1	Very high	94.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-46.1	176.6	0	0	0	0	0	111.8	I18 L27 N31 F32 D33 L37 A38 H39 L42	I18-A35 VanDerWaalsContact CD1-CA 3.48Å; I18-A35 HydrophobicContact CD1-CB 3.46Å; I18-A35 VanDerWaalsContact CD1-CB 3.46Å; L27-A35 HydrophobicContact CD2-CB 3.5Å; L27-A35 VanDerWaalsContact CD2-CB 3.5Å; N31-A35 PolarHBondContact O-N 2.96Å; F32-A35 WeakPolarHBondContact O-CB 3.23Å; F32-A35 PolarHBondContact O-N 2.99Å; F32-A35 VanDerWaalsContact O-N 3.15Å; D33-A35 VanDerWaalsContact C-N 3.34Å; A35-L37 VanDerWaalsContact C-N 3.35Å; A35-L37 PolarHBondContact O-N 3.19Å; A35-A38 PolarHBondContact O-N 3.22Å; A35-H39 WeakPolarHBondContact O-CB 3.34Å; A35-H39 PolarHBondContact O-N 3.24Å; A35-L42 HydrophobicContact CB-CD2 4.06Å
36	L	92.7	Very high	94.8	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-39.7	177.7	-74.9	178.5	0	0	0	112.4	F32 D33 H39 L42 F103 K108	F32-L36 HydrophobicContact CD1-CD1 3.81Å; F32-L36 HydrophobicContact CD1-CG 4.25Å; F32-L36 HydrophobicContact CE1-CD1 3.49Å; F32-L36 VanDerWaalsContact CE1-CD1 3.49Å; F32-L36 HydrophobicContact CE1-CG 4Å; F32-L36 HydrophobicContact CZ-CD1 4.44Å; F32-L36 PolarHBondContact O-N 2.75Å; D33-L36 PolarHBondContact O-N 3.21Å; L36-H39 CarbonylContact O-C 3.36Å; L36-L42 HydrophobicContact CD2-CB 4.27Å; L36-L42 HydrophobicContact CD2-CD2 3.9Å; L36-L42 HydrophobicContact CG-CD2 4.45Å; L36-F103 HydrophobicContact CD1-CD1 4.08Å; L36-F103 HydrophobicContact CD1-CE1 4.43Å; L36-F103 HydrophobicContact CD2-CB 3.38Å; L36-F103 HydrophobicContact CD2-CD1 3.72Å; L36-F103 HydrophobicContact CD2-CD2 4.26Å; L36-F103 HydrophobicContact CD2-CG 3.53Å; L36-K108 HydrophobicContact CD1-CB 4.21Å; L36-K108 HydrophobicContact CD1-CG 3.99Å
37	L	90.8	Very high	94.8	Very high	145 Å²	145	39.4 Å²	39.4	76%	0.759	21%	0.209	S	C	*	.	H	α-helix	trans	-67.8	-37.5	175.7	-72.3	170.7	0	0	0	112.3	D33 E34 A35	D33-L37 WeakPolarHBondContact O-CB 3.44Å; D33-L37 VanDerWaalsContact O-CG 3.28Å; D33-L37 WeakPolarHBondContact O-CG 3.45Å; D33-L37 PolarHBondContact O-N 3.14Å; E34-L37 PolarHBondContact O-N 2.7Å; A35-L37 VanDerWaalsContact C-N 3.35Å; A35-L37 PolarHBondContact O-N 3.19Å
38	A	92	Very high	94.5	Very high	22 Å²	22	39.3 Å²	39.3	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-76.5	-31.9	179.2	0	0	0	0	0	112.8	E34 A35	E34-A38 VanDerWaalsContact O-CB 3.32Å; E34-A38 WeakPolarHBondContact O-CB 3.38Å; E34-A38 PolarHBondContact O-N 2.78Å; A35-A38 PolarHBondContact O-N 3.22Å
39	H	92.9	Very high	94.2	Very high	42 Å²	42	38.6 Å²	38.6	19%	0.194	21%	0.212	C	C	.	.			trans	-131.9	85.7	-174.2	-57.7	-59.2	0	0	0	110.3	A35 L36 N41 R76	A35-H39 WeakPolarHBondContact O-CB 3.34Å; A35-H39 PolarHBondContact O-N 3.24Å; L36-H39 CarbonylContact O-C 3.36Å; H39-N41 PolarHBondContact O-N 2.86Å; H39-R76 HydrophobicContact CB-CB 4.16Å; H39-R76 HydrophobicContact CB-CG 3.93Å; H39-R76 VanDerWaalsContact CG-CG 3.47Å; H39-R76 VanDerWaalsContact ND1-CG 3.35Å; H39-R76 WeakPolarHBondContact ND1-CG 3.38Å
40	P	86.5	Confident	93.8	Very high	61 Å²	61	42.3 Å²	42.3	40%	0.396	22%	0.224	S	C	.	.	S	Bend	trans	-61	-20.8	-176.9	-25.5	34.9	0	0	0	114.3	F103 K104 G105 G106	P40-F103 VanDerWaalsContact O-O 3.08Å; P40-K104 CarbonylContact O-C 3.58Å; P40-K104 VanDerWaalsContact O-C 3.23Å; P40-K104 WeakPolarHBondContact O-CA 3.27Å; P40-G105 CarbonylContact O-C 3.55Å; P40-G105 WeakPolarHBondContact O-CA 3.34Å; P40-G105 PolarHBondContact O-N 2.8Å; P40-G106 PolarHBondContact O-N 2.73Å
41	N	93.4	Very high	93.3	Very high	29 Å²	29	37.8 Å²	37.8	16%	0.155	19%	0.192	C	C	.	.	S	Bend	trans	-113.6	89	175.2	-63.5	-52.3	0	0	0	109.2	H39 I75 R76 F102 F103 T131	H39-N41 PolarHBondContact O-N 2.86Å; N41-I75 HydrophobicContact CB-CG1 4.29Å; N41-I75 WeakPolarHBondContact O-CA 3.4Å; N41-R76 PolarHBondContact O-N 3.4Å; N41-F102 HydrophobicContact CB-CE2 4.23Å; N41-F102 HydrophobicContact CB-CZ 4.15Å; N41-F103 WeakPolarHBondContact CA-O 3.47Å; N41-T131 HydrophobicContact CB-CG2 4.04Å
42	L	96.8	Very high	92.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.1	-173.3	-176.3	63.3	0	0	0	110.4	L25 L27 A35 L36 V44 R76 F103	L25-L42 HydrophobicContact CD1-CD1 3.81Å; L27-L42 HydrophobicContact CD1-CD2 3.92Å; A35-L42 HydrophobicContact CB-CD2 4.06Å; L36-L42 HydrophobicContact CD2-CB 4.27Å; L36-L42 HydrophobicContact CD2-CD2 3.9Å; L36-L42 HydrophobicContact CG-CD2 4.45Å; L42-V44 HydrophobicContact CD2-CG2 3.99Å; L42-V44 HydrophobicContact CG-CG2 3.8Å; L42-R76 WeakPolarHBondContact CA-O 3.45Å; L42-R76 HydrophobicContact CD1-CB 3.77Å; L42-F103 HydrophobicContact CB-CB 4.48Å; L42-F103 PolarHBondContact N-O 2.84Å; L42-F103 PolarHBondContact O-N 3.15Å
43	L	97.8	Very high	91.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.3	168.5	-169.2	69.1	0	0	0	108.4	Y61 R76 L77 G78 I100 F102 I123 W126 L127	L43-Y61 VanDerWaalsContact C-OH 3.25Å; L43-Y61 HydrophobicContact CD2-CE2 3.85Å; L43-Y61 HydrophobicContact CG-CE2 4.36Å; L43-Y61 PolarHBondContact O-OH 2.9Å; L43-R76 PolarHBondContact N-O 3.36Å; L43-L77 HydrophobicContact CB-CD1 4.25Å; L43-L77 HydrophobicContact CB-CG 4.18Å; L43-L77 HydrophobicContact CD2-CG 4.34Å; L43-L77 CarbonylContact O-C 3.57Å; L43-L77 WeakPolarHBondContact O-CA 3.49Å; L43-G78 PolarHBondContact O-N 2.99Å; L43-I100 HydrophobicContact CD1-CG2 3.62Å; L43-I100 HydrophobicContact CD2-CG2 4.05Å; L43-I100 HydrophobicContact CG-CG2 3.72Å; L43-F102 HydrophobicContact CB-CD2 4.2Å; L43-F102 HydrophobicContact CD1-CB 3.65Å; L43-F102 HydrophobicContact CD1-CD2 4.1Å; L43-F102 HydrophobicContact CD1-CG 4.28Å; L43-I123 HydrophobicContact CD2-CG2 3.7Å; L43-W126 HydrophobicContact CD1-CZ3 4.44Å; L43-L127 HydrophobicContact CB-CD1 4.4Å; L43-L127 HydrophobicContact CB-CD2 4.07Å; L43-L127 HydrophobicContact CD1-CD2 4.23Å; L43-L127 HydrophobicContact CD2-CD1 3.9Å; L43-L127 HydrophobicContact CD2-CD2 4.23Å; L43-L127 HydrophobicContact CD2-CG 4.32Å; L43-L127 HydrophobicContact CG-CD2 4.41Å
44	V	98.3	Very high	91.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.9	-177	-177.3	0	0	0	0	110.4	L27 F32 L42 F46 G78 V80 I100 K101 F103	L27-V44 HydrophobicContact CD1-CG1 4.09Å; L27-V44 HydrophobicContact CD1-CG2 3.71Å; F32-V44 HydrophobicContact CE2-CG1 4.17Å; F32-V44 HydrophobicContact CE2-CG2 4.03Å; F32-V44 HydrophobicContact CZ-CG2 4.2Å; L42-V44 HydrophobicContact CD2-CG2 3.99Å; L42-V44 HydrophobicContact CG-CG2 3.8Å; V44-F46 HydrophobicContact CB-CE2 4.26Å; V44-F46 HydrophobicContact CG1-CD2 4.23Å; V44-F46 HydrophobicContact CG1-CE2 3.81Å; V44-F46 HydrophobicContact CG1-CZ 4.05Å; V44-G78 CarbonylContact C-O 3.55Å; V44-G78 VanDerWaalsContact CA-O 3.3Å; V44-G78 WeakPolarHBondContact CA-O 3.27Å; V44-V80 HydrophobicContact CG1-CB 4.48Å; V44-V80 HydrophobicContact CG1-CG2 3.72Å; V44-I100 CarbonylContact O-C 3.45Å; V44-I100 VanDerWaalsContact O-CA 3.3Å; V44-I100 WeakPolarHBondContact O-CA 3.33Å; V44-K101 PolarHBondContact N-O 3.37Å; V44-K101 PolarHBondContact O-N 3.06Å; V44-F103 HydrophobicContact CB-CD2 4.41Å; V44-F103 HydrophobicContact CB-CE2 3.98Å; V44-F103 HydrophobicContact CG2-CD2 3.78Å; V44-F103 HydrophobicContact CG2-CE2 3.69Å
45	E	98.3	Very high	92	Very high	5 Å²	5	43.8 Å²	43.8	2%	0.023	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.1	167.8	-177	-170	-176.7	0	0	110.6	L57 Y61 G78 K79 V80 P98 I100	E45-L57 HydrophobicContact CG-CD2 4.34Å; E45-Y61 HydrophobicContact CB-CE1 4.08Å; E45-Y61 HydrophobicContact CB-CE2 4.26Å; E45-Y61 PolarHBondContact N-OH 3.38Å; E45-G78 PolarHBondContact N-O 3.45Å; E45-K79 HydrophobicContact CB-CB 4.48Å; E45-K79 CarbonylContact O-C 3.55Å; E45-K79 VanDerWaalsContact O-CA 3.27Å; E45-K79 WeakPolarHBondContact O-CA 3.16Å; E45-V80 PolarHBondContact O-N 2.56Å; E45-P98 HydrophobicContact CG-CB 4.12Å; E45-I100 HydrophobicContact CB-CG1 4.39Å; E45-I100 HydrophobicContact CG-CG1 4.26Å
46	F	98.2	Very high	91.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.1	165.6	-64.1	-94.7	0	0	0	108.9	V44 V80 L88 A89 Y92 V94 P98 T99 K101	V44-F46 HydrophobicContact CB-CE2 4.26Å; V44-F46 HydrophobicContact CG1-CD2 4.23Å; V44-F46 HydrophobicContact CG1-CE2 3.81Å; V44-F46 HydrophobicContact CG1-CZ 4.05Å; F46-V80 WeakPolarHBondContact CA-O 3.43Å; F46-V80 HydrophobicContact CD1-CB 3.73Å; F46-V80 HydrophobicContact CD1-CG1 3.81Å; F46-V80 HydrophobicContact CD1-CG2 4.3Å; F46-V80 HydrophobicContact CE1-CB 3.91Å; F46-V80 HydrophobicContact CE1-CG1 3.94Å; F46-V80 HydrophobicContact CE1-CG2 4Å; F46-V80 HydrophobicContact CG-CB 4.44Å; F46-V80 HydrophobicContact CZ-CG2 4.48Å; F46-L88 HydrophobicContact CE1-CG 4.33Å; F46-A89 HydrophobicContact CD1-CB 4.27Å; F46-Y92 HydrophobicContact CE1-CD2 4.16Å; F46-Y92 AromaticContact CZ-CD2 3.58Å; F46-Y92 HydrophobicContact CZ-CD2 3.58Å; F46-Y92 HydrophobicContact CZ-CE2 4.35Å; F46-Y92 HydrophobicContact CZ-CG 4.22Å; F46-V94 HydrophobicContact CB-CG1 4.05Å; F46-V94 HydrophobicContact CB-CG2 3.87Å; F46-V94 HydrophobicContact CD1-CG2 3.89Å; F46-V94 HydrophobicContact CD2-CG2 3.89Å; F46-V94 HydrophobicContact CE1-CG2 4.41Å; F46-V94 HydrophobicContact CE2-CG2 4.43Å; F46-V94 HydrophobicContact CG-CG2 3.61Å; F46-P98 WeakPolarHBondContact O-CA 3.23Å; F46-T99 PolarHBondContact N-O 3.43Å; F46-T99 PolarHBondContact O-N 3.48Å; F46-T99 VanDerWaalsContact O-N 3.13Å; F46-K101 HydrophobicContact CE2-CB 4.28Å; F46-K101 HydrophobicContact CE2-CD 4.08Å; F46-K101 HydrophobicContact CE2-CG 4.46Å
47	Y	96.9	Very high	91.9	Very high	47 Å²	47	47 Å²	47	18%	0.184	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	168.8	-171.8	78.3	-84.6	0	0	0	112.6	P49 C54 K79 V80 D81 A82	Y47-P49 HydrophobicContact CE2-CG 4.29Å; Y47-C54 VanDerWaalsContact CB-SG 3.58Å; Y47-K79 HydrophobicContact CD1-CB 4.08Å; Y47-K79 HydrophobicContact CE1-CB 3.91Å; Y47-K79 HydrophobicContact CE1-CD 4.02Å; Y47-K79 HydrophobicContact CE1-CG 4.01Å; Y47-V80 WeakPolarHBondContact CD1-O 3.3Å; Y47-V80 PolarHBondContact N-O 3.17Å; Y47-D81 HydrophobicContact CE1-CB 4.09Å; Y47-D81 HydrophobicContact CE2-CB 4.38Å; Y47-D81 PolarHBondContact OH-OD2 2.9Å; Y47-A82 PolarHBondContact O-N 3.24Å
48	A	91.5	Very high	92.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.237	C	C	.	.			trans	-126.4	138	167.1	0	0	0	0	0	110.2	W50 C51 T83 Y97	A48-W50 HydrophobicContact CB-CD2 4.12Å; A48-W50 HydrophobicContact CB-CH2 4.4Å; A48-W50 HydrophobicContact CB-CZ2 3.81Å; A48-W50 PolarHBondContact O-N 3.02Å; A48-W50 VanDerWaalsContact O-N 3.09Å; A48-C51 HydrophobicContact CB-CB 4.28Å; A48-C51 WeakPolarHBondContact O-CB 3.33Å; A48-C51 PolarHBondContact O-N 2.97Å; A48-T83 HydrophobicContact CB-CG2 3.66Å; A48-Y97 HydrophobicContact CB-CD2 3.56Å; A48-Y97 HydrophobicContact CB-CE2 3.78Å; A48-Y97 HydrophobicContact CB-CG 4.05Å
49	P	91.6	Very high	92.4	Very high	64 Å²	64	45.1 Å²	45.1	42%	0.416	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.4	-175.6	-28.9	35.9	0	0	0	114.8	Y47 K55 D81	Y47-P49 HydrophobicContact CE2-CG 4.29Å; P49-K55 WeakPolarHBondContact O-CE 2.99Å; P49-K55 PolarHBondContact O-NZ 3.39Å; P49-D81 WeakPolarHBondContact CD-OD1 3.32Å; P49-D81 WeakPolarHBondContact CD-OD2 3Å; P49-D81 WeakPolarHBondContact CG-OD2 3.35Å
50	W	85.1	Confident	92.7	Very high	177 Å²	177	45 Å²	45	67%	0.67	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-12.3	-179.6	48.2	-100.3	0	0	0	113.2	A48 G52 Y97	A48-W50 HydrophobicContact CB-CD2 4.12Å; A48-W50 HydrophobicContact CB-CH2 4.4Å; A48-W50 HydrophobicContact CB-CZ2 3.81Å; A48-W50 PolarHBondContact O-N 3.02Å; A48-W50 VanDerWaalsContact O-N 3.09Å; W50-G52 PolarHBondContact O-N 3.06Å; W50-Y97 HydrophobicContact CH2-CD2 4.14Å; W50-Y97 HydrophobicContact CH2-CE2 4.32Å; W50-Y97 HydrophobicContact CZ2-CD2 4.34Å; W50-Y97 HydrophobicContact CZ2-CE2 4.19Å
51	C	86.6	Confident	93.2	Very high	14 Å²	14	42.2 Å²	42.2	10%	0.095	24%	0.235	C	C	.	.			trans	-73.3	121	-176.5	178.7	0	0	0	0	112	A48 H53 C54 K55 Y97	A48-C51 HydrophobicContact CB-CB 4.28Å; A48-C51 WeakPolarHBondContact O-CB 3.33Å; A48-C51 PolarHBondContact O-N 2.97Å; C51-H53 VanDerWaalsContact C-N 3.34Å; C51-H53 PolarHBondContact O-N 2.97Å; C51-C54 HydrophobicContact CB-CB 3.98Å; C51-C54 VanDerWaalsContact CB-SG 3.59Å; C51-C54 PolarHBondContact O-N 2.94Å; C51-K55 WeakPolarHBondContact O-CG 2.96Å; C51-K55 PolarHBondContact O-N 3.36Å; C51-K55 VanDerWaalsContact O-N 3.12Å; C51-Y97 PolarHBondContact SG-O 2.97Å
52	G	79.4	Confident	93.4	Very high	50 Å²	50	41.8 Å²	41.8	52%	0.515	24%	0.235	S	C	.	.	H	α-helix	trans	-62.2	-36.8	179	0	0	0	0	0	113.8	W50 K55 A56	W50-G52 PolarHBondContact O-N 3.06Å; G52-K55 PolarHBondContact O-N 3.1Å; G52-A56 PolarHBondContact O-N 3.48Å
53	H	82	Confident	93.5	Very high	115 Å²	115	46.6 Å²	46.6	53%	0.532	26%	0.256	S	S	.	.	H	α-helix	trans	-67.3	-37.9	177.1	-67.5	143.2	0	0	0	112.7	C51 A56 L57	C51-H53 VanDerWaalsContact C-N 3.34Å; C51-H53 PolarHBondContact O-N 2.97Å; H53-A56 PolarHBondContact O-N 2.83Å; H53-L57 WeakPolarHBondContact O-CB 3.42Å; H53-L57 PolarHBondContact O-N 3.06Å
54	C	92.7	Very high	93.5	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-45.5	174.6	-61.7	0	0	0	0	110.8	Y47 C51 A56 L57 A58	Y47-C54 VanDerWaalsContact CB-SG 3.58Å; C51-C54 HydrophobicContact CB-CB 3.98Å; C51-C54 VanDerWaalsContact CB-SG 3.59Å; C51-C54 PolarHBondContact O-N 2.94Å; C54-A56 VanDerWaalsContact C-N 3.25Å; C54-A56 PolarHBondContact O-N 3.31Å; C54-L57 PolarHBondContact O-N 2.99Å; C54-L57 VanDerWaalsContact O-N 3.12Å; C54-A58 WeakPolarHBondContact O-CB 3.4Å; C54-A58 PolarHBondContact O-N 3.06Å
55	K	93.8	Very high	93.5	Very high	135 Å²	135	46.9 Å²	46.9	59%	0.587	26%	0.258	S	S	*	.	H	α-helix	trans	-58.6	-37.4	175.7	-69	177.3	-174.5	176.8	0	112.7	P49 C51 G52 P59	P49-K55 WeakPolarHBondContact O-CE 2.99Å; P49-K55 PolarHBondContact O-NZ 3.39Å; C51-K55 WeakPolarHBondContact O-CG 2.96Å; C51-K55 PolarHBondContact O-N 3.36Å; C51-K55 VanDerWaalsContact O-N 3.12Å; G52-K55 PolarHBondContact O-N 3.1Å; K55-P59 WeakPolarHBondContact O-CD 3.48Å
56	A	90.5	Very high	93.4	Very high	70 Å²	70	47.6 Å²	47.6	58%	0.579	27%	0.268	S	S	*	.	H	α-helix	trans	-72.9	-34.5	177.1	0	0	0	0	0	113	G52 H53 C54	G52-A56 PolarHBondContact O-N 3.48Å; H53-A56 PolarHBondContact O-N 2.83Å; C54-A56 VanDerWaalsContact C-N 3.25Å; C54-A56 PolarHBondContact O-N 3.31Å
57	L	94.4	Very high	93.3	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-76.4	-38.3	179.5	176.2	62.9	0	0	0	112.7	E45 H53 C54 E60 Y61 P98 I100 R118 I123	E45-L57 HydrophobicContact CG-CD2 4.34Å; H53-L57 WeakPolarHBondContact O-CB 3.42Å; H53-L57 PolarHBondContact O-N 3.06Å; C54-L57 PolarHBondContact O-N 2.99Å; C54-L57 VanDerWaalsContact O-N 3.12Å; L57-E60 PolarHBondContact O-N 3.03Å; L57-Y61 PolarHBondContact O-N 3.11Å; L57-P98 HydrophobicContact CD2-CB 4.06Å; L57-P98 HydrophobicContact CD2-CG 3.87Å; L57-I100 HydrophobicContact CD2-CD1 3.59Å; L57-I100 HydrophobicContact CD2-CG1 4.35Å; L57-R118 HydrophobicContact CD1-CB 4.04Å; L57-R118 HydrophobicContact CD1-CG 4.35Å; L57-I123 HydrophobicContact CD1-CD1 4.31Å
58	A	96.6	Very high	93.2	Very high	48 Å²	48	48.4 Å²	48.4	40%	0.397	28%	0.275	S	S	.	.	H	α-helix	trans	-44.1	-49.6	-175.6	0	0	0	0	0	115.1	C54 E60 Y61 A62	C54-A58 WeakPolarHBondContact O-CB 3.4Å; C54-A58 PolarHBondContact O-N 3.06Å; A58-E60 PolarHBondContact O-N 3.28Å; A58-Y61 PolarHBondContact O-N 3.22Å; A58-A62 WeakPolarHBondContact O-CB 3.31Å; A58-A62 PolarHBondContact O-N 3.46Å
59	P	97.7	Very high	93.3	Very high	81 Å²	81	53 Å²	53	53%	0.526	30%	0.295	S	S	.	.	H	α-helix	trans	-66.5	-36	178.3	25.7	-35.1	0	0	0	113.7	K55 K63	K55-P59 WeakPolarHBondContact O-CD 3.48Å; P59-K63 VanDerWaalsContact O-CB 3.26Å; P59-K63 WeakPolarHBondContact O-CB 3.39Å; P59-K63 PolarHBondContact O-N 2.76Å
60	E	97.9	Very high	93.4	Very high	40 Å²	40	54.2 Å²	54.2	19%	0.187	31%	0.31	C	S	.	.	H	α-helix	trans	-71.8	-35.4	175.9	-70	-60.6	139.7	0	0	111.4	L57 A58 K63 A64 R118 A120	L57-E60 PolarHBondContact O-N 3.03Å; A58-E60 PolarHBondContact O-N 3.28Å; E60-K63 PolarHBondContact O-N 3.09Å; E60-K63 IonicContact OE2-NZ 2.83Å; E60-A64 WeakPolarHBondContact O-CB 3.47Å; E60-A64 PolarHBondContact O-N 3.11Å; E60-R118 WeakPolarHBondContact CB-O 3.4Å; E60-A120 WeakPolarHBondContact O-CB 3.43Å; E60-A120 VanDerWaalsContact OE2-CB 3.29Å; E60-A120 WeakPolarHBondContact OE2-CB 3.21Å; E60-A120 PolarHBondContact OE2-N 2.95Å
61	Y	98.1	Very high	93.7	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-46.4	176.8	-158.2	-103.2	0	0	0	111.8	V24 L43 E45 L57 A58 K63 A64 A65 L77 G78 I100 I123	V24-Y61 HydrophobicContact CG1-CD1 4.06Å; V24-Y61 HydrophobicContact CG1-CE1 3.88Å; V24-Y61 HydrophobicContact CG2-CD1 4.01Å; V24-Y61 HydrophobicContact CG2-CE1 4.49Å; L43-Y61 VanDerWaalsContact C-OH 3.25Å; L43-Y61 HydrophobicContact CD2-CE2 3.85Å; L43-Y61 HydrophobicContact CG-CE2 4.36Å; L43-Y61 PolarHBondContact O-OH 2.9Å; E45-Y61 HydrophobicContact CB-CE1 4.08Å; E45-Y61 HydrophobicContact CB-CE2 4.26Å; E45-Y61 PolarHBondContact N-OH 3.38Å; L57-Y61 PolarHBondContact O-N 3.11Å; A58-Y61 PolarHBondContact O-N 3.22Å; Y61-K63 PolarHBondContact O-N 3.09Å; Y61-A64 PolarHBondContact O-N 3.43Å; Y61-A65 PolarHBondContact O-N 3.18Å; Y61-L77 HydrophobicContact CD1-CB 4.4Å; Y61-L77 HydrophobicContact CD1-CD2 3.93Å; Y61-L77 HydrophobicContact CD2-CD2 4Å; Y61-L77 HydrophobicContact CE1-CB 3.69Å; Y61-L77 HydrophobicContact CE1-CD2 3.77Å; Y61-L77 HydrophobicContact CE1-CG 3.89Å; Y61-L77 HydrophobicContact CE2-CD2 3.83Å; Y61-L77 HydrophobicContact CE2-CG 4.22Å; Y61-L77 HydrophobicContact CG-CD2 4.04Å; Y61-L77 VanDerWaalsContact O-CD2 3.32Å; Y61-L77 WeakPolarHBondContact O-CD2 3.38Å; Y61-G78 WeakPolarHBondContact CE1-O 3.04Å; Y61-G78 PolarHBondContact OH-O 3.36Å; Y61-I100 HydrophobicContact CE2-CG2 4.43Å; Y61-I123 HydrophobicContact CD2-CD1 3.99Å
62	A	98.1	Very high	93.8	Very high	19 Å²	19	53.6 Å²	53.6	16%	0.157	33%	0.331	C	S	.	.	H	α-helix	trans	-61.5	-42.2	173	0	0	0	0	0	112.1	D22 V24 A58 A64 A65 G66	D22-A62 HydrophobicContact CB-CB 3.74Å; V24-A62 HydrophobicContact CG2-CB 4.3Å; A58-A62 WeakPolarHBondContact O-CB 3.31Å; A58-A62 PolarHBondContact O-N 3.46Å; A62-A64 PolarHBondContact O-N 2.9Å; A62-A65 WeakPolarHBondContact O-CB 3.43Å; A62-A65 PolarHBondContact O-N 3.08Å; A62-G66 PolarHBondContact O-N 3Å
63	K	98	Very high	94.3	Very high	101 Å²	101	53 Å²	53	44%	0.439	32%	0.319	S	S	.	.	H	α-helix	trans	-60.4	-43	174.7	179.3	-178.5	165.8	-158.9	0	112	P59 E60 Y61 A65 G66 L67 A120	P59-K63 VanDerWaalsContact O-CB 3.26Å; P59-K63 WeakPolarHBondContact O-CB 3.39Å; P59-K63 PolarHBondContact O-N 2.76Å; E60-K63 PolarHBondContact O-N 3.09Å; E60-K63 IonicContact OE2-NZ 2.83Å; Y61-K63 PolarHBondContact O-N 3.09Å; K63-A65 VanDerWaalsContact C-N 3.35Å; K63-G66 PolarHBondContact O-N 3.42Å; K63-L67 HydrophobicContact CG-CD1 4.42Å; K63-L67 VanDerWaalsContact O-CG 3.31Å; K63-L67 WeakPolarHBondContact O-CG 3.48Å; K63-L67 PolarHBondContact O-N 3.2Å; K63-A120 HydrophobicContact CB-CB 4.04Å; K63-A120 HydrophobicContact CD-CB 3.77Å; K63-A120 HydrophobicContact CG-CB 3.79Å
64	A	97.6	Very high	94.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-42.1	174.7	0	0	0	0	0	112	E60 Y61 A62 L67 L68 L77 A120 I123 V124	E60-A64 WeakPolarHBondContact O-CB 3.47Å; E60-A64 PolarHBondContact O-N 3.11Å; Y61-A64 PolarHBondContact O-N 3.43Å; A62-A64 PolarHBondContact O-N 2.9Å; A64-L67 PolarHBondContact O-N 3.26Å; A64-L68 WeakPolarHBondContact O-CG 3.33Å; A64-L68 PolarHBondContact O-N 3.11Å; A64-L68 VanDerWaalsContact O-N 3.07Å; A64-L77 HydrophobicContact CB-CD2 3.96Å; A64-A120 HydrophobicContact CB-CB 4.12Å; A64-I123 HydrophobicContact CB-CB 4.08Å; A64-I123 HydrophobicContact CB-CD1 4.35Å; A64-I123 HydrophobicContact CB-CG2 3.91Å; A64-V124 HydrophobicContact CB-CG2 4.02Å
65	A	97.7	Very high	94.8	Very high	6 Å²	6	55.3 Å²	55.3	5%	0.05	33%	0.329	C	S	.	.	H	α-helix	trans	-60.6	-46.9	176.4	0	0	0	0	0	111.4	D23 V24 Y61 A62 K63 L67 L68 K69 L77	D23-A65 HydrophobicContact CB-CB 4.08Å; V24-A65 HydrophobicContact CG2-CB 3.88Å; Y61-A65 PolarHBondContact O-N 3.18Å; A62-A65 WeakPolarHBondContact O-CB 3.43Å; A62-A65 PolarHBondContact O-N 3.08Å; K63-A65 VanDerWaalsContact C-N 3.35Å; A65-L67 PolarHBondContact O-N 3.01Å; A65-L68 PolarHBondContact O-N 3.46Å; A65-K69 WeakPolarHBondContact O-CB 3.44Å; A65-K69 PolarHBondContact O-N 3.02Å; A65-L77 HydrophobicContact CB-CB 3.95Å; A65-L77 HydrophobicContact CB-CD2 4Å; A65-L77 HydrophobicContact CB-CG 4.45Å
66	G	97.1	Very high	94.9	Very high	21 Å²	21	50.6 Å²	50.6	22%	0.216	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-41	176.8	0	0	0	0	0	113.2	A62 K63 K69 A70	A62-G66 PolarHBondContact O-N 3Å; K63-G66 PolarHBondContact O-N 3.42Å; G66-K69 PolarHBondContact O-N 3.45Å; G66-A70 VanDerWaalsContact O-CB 3.27Å; G66-A70 WeakPolarHBondContact O-CB 3.31Å; G66-A70 PolarHBondContact O-N 2.66Å
67	L	96.5	Very high	95.3	Very high	63 Å²	63	47.3 Å²	47.3	33%	0.33	28%	0.281	S	S	.	.	H	α-helix	trans	-60.5	-48.2	175.3	-73.8	171.4	0	0	0	111.6	K63 A64 A65 K69 A70 E71 A120 V124	K63-L67 HydrophobicContact CG-CD1 4.42Å; K63-L67 VanDerWaalsContact O-CG 3.31Å; K63-L67 WeakPolarHBondContact O-CG 3.48Å; K63-L67 PolarHBondContact O-N 3.2Å; A64-L67 PolarHBondContact O-N 3.26Å; A65-L67 PolarHBondContact O-N 3.01Å; L67-K69 PolarHBondContact O-N 2.92Å; L67-A70 PolarHBondContact O-N 2.96Å; L67-E71 WeakPolarHBondContact O-CG 3.23Å; L67-E71 PolarHBondContact O-N 3.3Å; L67-E71 VanDerWaalsContact O-N 3.1Å; L67-A120 HydrophobicContact CD1-CB 4.42Å; L67-V124 HydrophobicContact CB-CG2 4.3Å; L67-V124 HydrophobicContact CD1-CG2 4.32Å
68	L	94.6	Very high	95.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-41.1	179	-71.3	165.2	0	0	0	112	A64 A65 E71 G72 S73 I75 L77 V124 L127	A64-L68 WeakPolarHBondContact O-CG 3.33Å; A64-L68 PolarHBondContact O-N 3.11Å; A64-L68 VanDerWaalsContact O-N 3.07Å; A65-L68 PolarHBondContact O-N 3.46Å; L68-E71 PolarHBondContact O-N 3.34Å; L68-G72 PolarHBondContact O-N 2.89Å; L68-S73 VanDerWaalsContact O-CB 3.23Å; L68-S73 WeakPolarHBondContact O-CB 3.49Å; L68-S73 PolarHBondContact O-N 3.44Å; L68-I75 HydrophobicContact CD1-CB 4.31Å; L68-I75 HydrophobicContact CD1-CG2 4.1Å; L68-I75 HydrophobicContact CD2-CB 4.48Å; L68-I75 HydrophobicContact CD2-CD1 4.2Å; L68-L77 HydrophobicContact CD1-CD1 3.56Å; L68-V124 HydrophobicContact CD2-CG1 4.21Å; L68-V124 HydrophobicContact CG-CG2 4.17Å; L68-L127 HydrophobicContact CD1-CD1 3.8Å
69	K	93.2	Very high	95.6	Very high	96 Å²	96	46.5 Å²	46.5	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-65.2	-42.9	177.2	-167.3	173.7	-174.4	172.8	0	111.7	E20 D23 A65 G66 L67 E71 G72	E20-K69 IonicContact OE2-NZ 3.91Å; E20-K69 PolarHBondContact OE2-NZ 3.43Å; D23-K69 HydrophobicContact CB-CD 3.97Å; D23-K69 VanDerWaalsContact OD1-CD 3.23Å; D23-K69 WeakPolarHBondContact OD1-CD 3.28Å; D23-K69 WeakPolarHBondContact OD1-CE 3.5Å; D23-K69 IonicContact OD1-NZ 2.61Å; D23-K69 PolarHBondContact OD1-NZ 3.37Å; A65-K69 WeakPolarHBondContact O-CB 3.44Å; A65-K69 PolarHBondContact O-N 3.02Å; G66-K69 PolarHBondContact O-N 3.45Å; L67-K69 PolarHBondContact O-N 2.92Å; K69-E71 VanDerWaalsContact C-N 3.27Å; K69-E71 PolarHBondContact O-N 3.1Å; K69-G72 PolarHBondContact O-N 2.74Å
70	A	93.3	Very high	95.6	Very high	89 Å²	89	42.6 Å²	42.6	74%	0.736	24%	0.243	S	C	*	.	H	α-helix	trans	-64.4	-30.9	177.5	0	0	0	0	0	112.9	G66 L67 G72	G66-A70 VanDerWaalsContact O-CB 3.27Å; G66-A70 WeakPolarHBondContact O-CB 3.31Å; G66-A70 PolarHBondContact O-N 2.66Å; L67-A70 PolarHBondContact O-N 2.96Å; A70-G72 VanDerWaalsContact C-N 3.28Å
71	E	91.8	Very high	95.6	Very high	112 Å²	112	41.6 Å²	41.6	52%	0.523	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-5.3	174.4	-69.9	178.7	176.8	0	0	113.7	L67 L68 K69 S73 K128	L67-E71 WeakPolarHBondContact O-CG 3.23Å; L67-E71 PolarHBondContact O-N 3.3Å; L67-E71 VanDerWaalsContact O-N 3.1Å; L68-E71 PolarHBondContact O-N 3.34Å; K69-E71 VanDerWaalsContact C-N 3.27Å; K69-E71 PolarHBondContact O-N 3.1Å; E71-S73 VanDerWaalsContact C-N 3.31Å; E71-K128 IonicContact OE1-NZ 3.53Å; E71-K128 PolarHBondContact OE1-NZ 3.17Å; E71-K128 WeakPolarHBondContact OE2-CE 3.29Å; E71-K128 IonicContact OE2-NZ 2.69Å; E71-K128 PolarHBondContact OE2-NZ 2.83Å
72	G	89.4	Confident	95.5	Very high	66 Å²	66	41.7 Å²	41.7	68%	0.68	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.9	26.6	-176	0	0	0	0	0	113.5	L68 K69 A70	L68-G72 PolarHBondContact O-N 2.89Å; K69-G72 PolarHBondContact O-N 2.74Å; A70-G72 VanDerWaalsContact C-N 3.28Å
73	S	89.8	Confident	95.2	Very high	39 Å²	39	44 Å²	44	27%	0.273	25%	0.252	S	S	.	.			trans	-66.6	146.1	176.6	-168.8	0	0	0	0	111.7	L68 E71 I75	L68-S73 VanDerWaalsContact O-CB 3.23Å; L68-S73 WeakPolarHBondContact O-CB 3.49Å; L68-S73 PolarHBondContact O-N 3.44Å; E71-S73 VanDerWaalsContact C-N 3.31Å; S73-I75 PolarHBondContact O-N 2.82Å; S73-I75 VanDerWaalsContact OG-CG1 3.31Å; S73-I75 WeakPolarHBondContact OG-CG1 3.3Å; S73-I75 PolarHBondContact OG-N 2.9Å
74	E	90.1	Very high	95.1	Very high	161 Å²	161	45.5 Å²	45.5	75%	0.752	26%	0.261	S	S	*	.	S	Bend	trans	-77.3	-10	170.6	-62.8	-169.2	142.8	0	0	112.8
75	I	94.8	Very high	95	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.036	27%	0.268	C	S	.	.			trans	-73.3	130.1	179.7	-52.1	172.3	0	0	0	109.3	N41 L68 S73 L127 T131	N41-I75 HydrophobicContact CB-CG1 4.29Å; N41-I75 WeakPolarHBondContact O-CA 3.4Å; L68-I75 HydrophobicContact CD1-CB 4.31Å; L68-I75 HydrophobicContact CD1-CG2 4.1Å; L68-I75 HydrophobicContact CD2-CB 4.48Å; L68-I75 HydrophobicContact CD2-CD1 4.2Å; S73-I75 PolarHBondContact O-N 2.82Å; S73-I75 VanDerWaalsContact OG-CG1 3.31Å; S73-I75 WeakPolarHBondContact OG-CG1 3.3Å; S73-I75 PolarHBondContact OG-N 2.9Å; I75-L127 HydrophobicContact CD1-CB 3.91Å; I75-L127 HydrophobicContact CG2-CB 4.36Å; I75-L127 HydrophobicContact CG2-CD1 3.89Å; I75-L127 HydrophobicContact CG2-CD2 4.1Å; I75-L127 HydrophobicContact CG2-CG 4.34Å; I75-T131 HydrophobicContact CD1-CG2 3.8Å; I75-T131 WeakPolarHBondContact CD1-OG1 3.31Å; I75-T131 HydrophobicContact CG1-CG2 3.94Å
76	R	96.7	Very high	94.8	Very high	36 Å²	36	50.2 Å²	50.2	14%	0.136	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	152.7	174.2	-63.5	-55.1	-54.8	-88.9	5.2	111.4	E20 D23 L25 H39 N41 L42 L43	E20-R76 IonicContact OE1-CZ 2.81Å; E20-R76 IonicContact OE1-NH1 3.06Å; E20-R76 PolarHBondContact OE1-NH1 3.03Å; E20-R76 IonicContact OE1-NH2 2.91Å; E20-R76 PolarHBondContact OE1-NH2 3.31Å; E20-R76 IonicContact OE2-NH2 3.03Å; E20-R76 PolarHBondContact OE2-NH2 3.49Å; D23-R76 PolarHBondContact O-NH2 3.2Å; L25-R76 HydrophobicContact CD1-CB 3.86Å; L25-R76 HydrophobicContact CD1-CG 4.33Å; H39-R76 HydrophobicContact CB-CB 4.16Å; H39-R76 HydrophobicContact CB-CG 3.93Å; H39-R76 VanDerWaalsContact CG-CG 3.47Å; H39-R76 VanDerWaalsContact ND1-CG 3.35Å; H39-R76 WeakPolarHBondContact ND1-CG 3.38Å; N41-R76 PolarHBondContact O-N 3.4Å; L42-R76 WeakPolarHBondContact CA-O 3.45Å; L42-R76 HydrophobicContact CD1-CB 3.77Å; L43-R76 PolarHBondContact N-O 3.36Å
77	L	98.3	Very high	94.7	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.7	170.5	-87	63.6	0	0	0	108.2	L25 L43 Y61 A64 A65 L68 I123 L127	L25-L77 PolarHBondContact N-O 3.46Å; L43-L77 HydrophobicContact CB-CD1 4.25Å; L43-L77 HydrophobicContact CB-CG 4.18Å; L43-L77 HydrophobicContact CD2-CG 4.34Å; L43-L77 CarbonylContact O-C 3.57Å; L43-L77 WeakPolarHBondContact O-CA 3.49Å; Y61-L77 HydrophobicContact CD1-CB 4.4Å; Y61-L77 HydrophobicContact CD1-CD2 3.93Å; Y61-L77 HydrophobicContact CD2-CD2 4Å; Y61-L77 HydrophobicContact CE1-CB 3.69Å; Y61-L77 HydrophobicContact CE1-CD2 3.77Å; Y61-L77 HydrophobicContact CE1-CG 3.89Å; Y61-L77 HydrophobicContact CE2-CD2 3.83Å; Y61-L77 HydrophobicContact CE2-CG 4.22Å; Y61-L77 HydrophobicContact CG-CD2 4.04Å; Y61-L77 VanDerWaalsContact O-CD2 3.32Å; Y61-L77 WeakPolarHBondContact O-CD2 3.38Å; A64-L77 HydrophobicContact CB-CD2 3.96Å; A65-L77 HydrophobicContact CB-CB 3.95Å; A65-L77 HydrophobicContact CB-CD2 4Å; A65-L77 HydrophobicContact CB-CG 4.45Å; L68-L77 HydrophobicContact CD1-CD1 3.56Å; L77-I123 HydrophobicContact CD2-CG2 4.39Å; L77-L127 HydrophobicContact CD1-CD1 3.84Å
78	G	98.1	Very high	94.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	163.7	176.2	0	0	0	0	0	111.3	L25 L43 V44 E45 Y61	L25-G78 CarbonylContact O-C 3.54Å; L25-G78 WeakPolarHBondContact O-CA 3.4Å; L43-G78 PolarHBondContact O-N 2.99Å; V44-G78 CarbonylContact C-O 3.55Å; V44-G78 VanDerWaalsContact CA-O 3.3Å; V44-G78 WeakPolarHBondContact CA-O 3.27Å; E45-G78 PolarHBondContact N-O 3.45Å; Y61-G78 WeakPolarHBondContact CE1-O 3.04Å; Y61-G78 PolarHBondContact OH-O 3.36Å
79	K	98.4	Very high	94.5	Very high	35 Å²	35	51.9 Å²	51.9	15%	0.152	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.7	177.9	65.5	-176.3	-179	180	0	110.7	E21 V24 L25 L27 E45 Y47	E21-K79 WeakPolarHBondContact OE2-CE 3.43Å; E21-K79 IonicContact OE2-NZ 3.22Å; E21-K79 PolarHBondContact OE2-NZ 3.07Å; V24-K79 HydrophobicContact CG1-CB 4.04Å; V24-K79 HydrophobicContact CG1-CD 4.07Å; V24-K79 HydrophobicContact CG1-CG 3.92Å; L25-K79 PolarHBondContact O-N 2.97Å; L27-K79 WeakPolarHBondContact CB-O 3Å; L27-K79 PolarHBondContact N-O 3.28Å; E45-K79 HydrophobicContact CB-CB 4.48Å; E45-K79 CarbonylContact O-C 3.55Å; E45-K79 VanDerWaalsContact O-CA 3.27Å; E45-K79 WeakPolarHBondContact O-CA 3.16Å; Y47-K79 HydrophobicContact CD1-CB 4.08Å; Y47-K79 HydrophobicContact CE1-CB 3.91Å; Y47-K79 HydrophobicContact CE1-CD 4.02Å; Y47-K79 HydrophobicContact CE1-CG 4.01Å
80	V	98.5	Very high	94.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.9	176.7	175.4	0	0	0	0	107.6	L27 F32 V44 E45 F46 Y47 A82 E85 L88	L27-V80 HydrophobicContact CB-CG2 3.7Å; F32-V80 HydrophobicContact CD2-CG2 4.39Å; F32-V80 HydrophobicContact CE2-CG2 4.23Å; V44-V80 HydrophobicContact CG1-CB 4.48Å; V44-V80 HydrophobicContact CG1-CG2 3.72Å; E45-V80 PolarHBondContact O-N 2.56Å; F46-V80 WeakPolarHBondContact CA-O 3.43Å; F46-V80 HydrophobicContact CD1-CB 3.73Å; F46-V80 HydrophobicContact CD1-CG1 3.81Å; F46-V80 HydrophobicContact CD1-CG2 4.3Å; F46-V80 HydrophobicContact CE1-CB 3.91Å; F46-V80 HydrophobicContact CE1-CG1 3.94Å; F46-V80 HydrophobicContact CE1-CG2 4Å; F46-V80 HydrophobicContact CG-CB 4.44Å; F46-V80 HydrophobicContact CZ-CG2 4.48Å; Y47-V80 WeakPolarHBondContact CD1-O 3.3Å; Y47-V80 PolarHBondContact N-O 3.17Å; V80-A82 PolarHBondContact O-N 2.76Å; V80-E85 HydrophobicContact CG1-CB 3.74Å; V80-E85 HydrophobicContact CG1-CG 4.2Å; V80-L88 HydrophobicContact CG1-CD2 3.99Å; V80-L88 HydrophobicContact CG2-CD2 3.94Å
81	D	97.8	Very high	94.5	Very high	18 Å²	18	54 Å²	54	10%	0.096	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	102.2	168.3	-164.8	-38.5	0	0	0	108.8	Y47 P49 T83 E84 E85	Y47-D81 HydrophobicContact CE1-CB 4.09Å; Y47-D81 HydrophobicContact CE2-CB 4.38Å; Y47-D81 PolarHBondContact OH-OD2 2.9Å; P49-D81 WeakPolarHBondContact CD-OD1 3.32Å; P49-D81 WeakPolarHBondContact CD-OD2 3Å; P49-D81 WeakPolarHBondContact CG-OD2 3.35Å; D81-T83 PolarHBondContact O-N 2.91Å; D81-T83 WeakPolarHBondContact OD1-CB 3.42Å; D81-T83 PolarHBondContact OD1-N 3.39Å; D81-T83 PolarHBondContact OD1-OG1 2.95Å; D81-E84 HydrophobicContact CB-CB 4.49Å; D81-E84 PolarHBondContact O-N 2.67Å; D81-E84 VanDerWaalsContact O-N 3.16Å; D81-E85 WeakPolarHBondContact O-CB 3.25Å; D81-E85 PolarHBondContact O-N 2.93Å
82	A	95.4	Very high	94.5	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.033	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-8.4	-176.5	0	0	0	0	0	113	Y47 V80 A89 Y97	Y47-A82 PolarHBondContact O-N 3.24Å; V80-A82 PolarHBondContact O-N 2.76Å; A82-A89 HydrophobicContact CB-CB 3.7Å; A82-Y97 HydrophobicContact CB-CD1 4.32Å; A82-Y97 HydrophobicContact CB-CE1 3.33Å
83	T	91.4	Very high	94.6	Very high	68 Å²	68	48.7 Å²	48.7	42%	0.417	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-23.3	173	71.2	0	0	0	0	112.4	A48 D81	A48-T83 HydrophobicContact CB-CG2 3.66Å; D81-T83 PolarHBondContact O-N 2.91Å; D81-T83 WeakPolarHBondContact OD1-CB 3.42Å; D81-T83 PolarHBondContact OD1-N 3.39Å; D81-T83 PolarHBondContact OD1-OG1 2.95Å
84	E	96.1	Very high	94.7	Very high	132 Å²	132	47.8 Å²	47.8	62%	0.617	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-34.4	173.9	-61.7	-171	174.6	0	0	111.9	D81	D81-E84 HydrophobicContact CB-CB 4.49Å; D81-E84 PolarHBondContact O-N 2.67Å; D81-E84 VanDerWaalsContact O-N 3.16Å
85	E	96.9	Very high	94.5	Very high	34 Å²	34	51.9 Å²	51.9	16%	0.159	26%	0.258	C	S	.	.			trans	-110.6	50.5	-173.9	-53.3	-71.1	163.4	0	0	110.9	K28 K29 V80 D81 E87 L88 A89	K28-E85 WeakPolarHBondContact CB-OE1 3.48Å; K28-E85 WeakPolarHBondContact CG-OE1 3.23Å; K29-E85 VanDerWaalsContact CB-OE2 3.31Å; K29-E85 WeakPolarHBondContact CB-OE2 2.99Å; K29-E85 PolarHBondContact N-OE2 2.82Å; V80-E85 HydrophobicContact CG1-CB 3.74Å; V80-E85 HydrophobicContact CG1-CG 4.2Å; D81-E85 WeakPolarHBondContact O-CB 3.25Å; D81-E85 PolarHBondContact O-N 2.93Å; E85-E87 PolarHBondContact O-N 2.91Å; E85-L88 HydrophobicContact CB-CB 4.32Å; E85-L88 PolarHBondContact O-N 2.88Å; E85-A89 PolarHBondContact O-N 3.18Å; E85-A89 VanDerWaalsContact O-N 3.1Å
86	S	92.9	Very high	93.9	Very high	72 Å²	72	53 Å²	53	50%	0.503	27%	0.272	S	S	.	.	H	α-helix	trans	-58.9	-41.2	-172.8	55.9	0	0	0	0	113.4	L88 A89 Q90	S86-L88 VanDerWaalsContact C-N 3.31Å; S86-L88 PolarHBondContact O-N 3.35Å; S86-A89 WeakPolarHBondContact O-CB 3.36Å; S86-A89 PolarHBondContact O-N 2.92Å; S86-Q90 WeakPolarHBondContact O-CB 3.22Å; S86-Q90 PolarHBondContact O-N 3.07Å
87	E	94.4	Very high	93.4	Very high	113 Å²	113	54.7 Å²	54.7	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-60.4	-40.7	177.7	-65	177.8	171.1	0	0	111.7	K29 E85 Q90 E91	K29-E87 HydrophobicContact CD-CB 4.35Å; K29-E87 WeakPolarHBondContact CD-OE2 3.39Å; K29-E87 IonicContact NZ-OE2 2.67Å; K29-E87 PolarHBondContact NZ-OE2 3.24Å; E85-E87 PolarHBondContact O-N 2.91Å; E87-Q90 PolarHBondContact O-N 2.86Å; E87-E91 WeakPolarHBondContact O-CB 3.5Å; E87-E91 PolarHBondContact O-N 2.89Å
88	L	94.3	Very high	93.2	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-69.7	-37.1	177.7	-173.5	65.7	0	0	0	111.1	F32 F46 V80 E85 S86 Y92	F32-L88 HydrophobicContact CB-CD1 4.46Å; F32-L88 HydrophobicContact CB-CD2 4.25Å; F32-L88 HydrophobicContact CD1-CD1 4.2Å; F32-L88 HydrophobicContact CD2-CD1 4.45Å; F32-L88 HydrophobicContact CD2-CD2 3.69Å; F32-L88 HydrophobicContact CE2-CD2 4.24Å; F32-L88 HydrophobicContact CG-CD1 4.12Å; F32-L88 HydrophobicContact CG-CD2 4.02Å; F46-L88 HydrophobicContact CE1-CG 4.33Å; V80-L88 HydrophobicContact CG1-CD2 3.99Å; V80-L88 HydrophobicContact CG2-CD2 3.94Å; E85-L88 HydrophobicContact CB-CB 4.32Å; E85-L88 PolarHBondContact O-N 2.88Å; S86-L88 VanDerWaalsContact C-N 3.31Å; S86-L88 PolarHBondContact O-N 3.35Å; L88-Y92 HydrophobicContact CD1-CD2 4.19Å; L88-Y92 HydrophobicContact CD1-CE2 3.64Å; L88-Y92 HydrophobicContact CG-CD2 4.42Å; L88-Y92 HydrophobicContact CG-CE2 4.28Å; L88-Y92 VanDerWaalsContact O-CD2 3.22Å; L88-Y92 WeakPolarHBondContact O-CD2 3.34Å; L88-Y92 PolarHBondContact O-N 2.92Å
89	A	93.9	Very high	93.1	Very high	5 Å²	5	56.1 Å²	56.1	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-40.4	174.7	0	0	0	0	0	111.8	F46 A82 E85 S86 Y92 G93 V94	F46-A89 HydrophobicContact CD1-CB 4.27Å; A82-A89 HydrophobicContact CB-CB 3.7Å; E85-A89 PolarHBondContact O-N 3.18Å; E85-A89 VanDerWaalsContact O-N 3.1Å; S86-A89 WeakPolarHBondContact O-CB 3.36Å; S86-A89 PolarHBondContact O-N 2.92Å; A89-Y92 CarbonylContact O-C 3.53Å; A89-Y92 PolarHBondContact O-N 3.45Å; A89-G93 PolarHBondContact O-N 3.02Å; A89-V94 HydrophobicContact CB-CB 4.09Å; A89-V94 HydrophobicContact CB-CG2 4.32Å; A89-V94 WeakPolarHBondContact O-CB 3.49Å; A89-V94 WeakPolarHBondContact O-CG2 3.4Å; A89-V94 PolarHBondContact O-N 3.16Å
90	Q	91.4	Very high	93	Very high	135 Å²	135	54.9 Å²	54.9	63%	0.631	28%	0.282	S	S	*	.	H	α-helix	trans	-67	-42.8	175.8	-175.5	177.4	-0.7	0	0	111.9	S86 E87 Y92 G93	S86-Q90 WeakPolarHBondContact O-CB 3.22Å; S86-Q90 PolarHBondContact O-N 3.07Å; E87-Q90 PolarHBondContact O-N 2.86Å; Q90-Y92 PolarHBondContact O-N 3.2Å; Q90-Y92 VanDerWaalsContact O-N 3.14Å; Q90-G93 PolarHBondContact O-N 3.27Å
91	E	93.6	Very high	92.9	Very high	95 Å²	95	56 Å²	56	44%	0.444	29%	0.287	S	S	.	.	H	α-helix	trans	-51.7	-36.7	174.8	-177.1	178.4	166.6	0	0	111.5	E87 K108	E87-E91 WeakPolarHBondContact O-CB 3.5Å; E87-E91 PolarHBondContact O-N 2.89Å; E91-K108 WeakPolarHBondContact OE1-CE 3.17Å; E91-K108 IonicContact OE1-NZ 2.7Å; E91-K108 PolarHBondContact OE1-NZ 2.98Å
92	Y	92.6	Very high	92.8	Very high	20 Å²	20	55.2 Å²	55.2	8%	0.078	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	10	177.7	-65.4	-59.9	0	0	0	115.2	F32 F46 L88 A89 Q90 V94 K101 F103 K108 P111	F32-Y92 HydrophobicContact CD1-CE2 4.37Å; F32-Y92 AromaticContact CE1-CE2 3.65Å; F32-Y92 HydrophobicContact CE1-CE2 3.65Å; F32-Y92 AromaticContact CE1-CZ 3.78Å; F32-Y92 VanDerWaalsContact CE1-OH 3.25Å; F32-Y92 WeakPolarHBondContact CE1-OH 3.3Å; F32-Y92 AromaticContact CZ-CE2 3.86Å; F32-Y92 HydrophobicContact CZ-CE2 3.86Å; F46-Y92 HydrophobicContact CE1-CD2 4.16Å; F46-Y92 AromaticContact CZ-CD2 3.58Å; F46-Y92 HydrophobicContact CZ-CD2 3.58Å; F46-Y92 HydrophobicContact CZ-CE2 4.35Å; F46-Y92 HydrophobicContact CZ-CG 4.22Å; L88-Y92 HydrophobicContact CD1-CD2 4.19Å; L88-Y92 HydrophobicContact CD1-CE2 3.64Å; L88-Y92 HydrophobicContact CG-CD2 4.42Å; L88-Y92 HydrophobicContact CG-CE2 4.28Å; L88-Y92 VanDerWaalsContact O-CD2 3.22Å; L88-Y92 WeakPolarHBondContact O-CD2 3.34Å; L88-Y92 PolarHBondContact O-N 2.92Å; A89-Y92 CarbonylContact O-C 3.53Å; A89-Y92 PolarHBondContact O-N 3.45Å; Q90-Y92 PolarHBondContact O-N 3.2Å; Q90-Y92 VanDerWaalsContact O-N 3.14Å; Y92-V94 PolarHBondContact O-N 3.18Å; Y92-K101 HydrophobicContact CG-CD 4.5Å; Y92-K101 WeakPolarHBondContact O-CE 3.04Å; Y92-K101 PolarHBondContact O-NZ 3.32Å; Y92-F103 HydrophobicContact CD1-CE1 4.35Å; Y92-F103 HydrophobicContact CD1-CZ 4.21Å; Y92-F103 HydrophobicContact CD2-CZ 4.38Å; Y92-F103 AromaticContact CE1-CE1 3.67Å; Y92-F103 HydrophobicContact CE1-CE1 3.67Å; Y92-F103 AromaticContact CE1-CZ 3.9Å; Y92-F103 HydrophobicContact CE1-CZ 3.9Å; Y92-F103 HydrophobicContact CE2-CE1 4.35Å; Y92-F103 HydrophobicContact CE2-CZ 4.04Å; Y92-F103 HydrophobicContact CG-CZ 4.45Å; Y92-F103 AromaticContact CZ-CE1 3.67Å; Y92-F103 AromaticContact CZ-CZ 3.8Å; Y92-K108 HydrophobicContact CE1-CG 4.49Å; Y92-K108 WeakPolarHBondContact CE1-O 3.39Å; Y92-K108 WeakPolarHBondContact OH-CE 3.31Å; Y92-K108 WeakPolarHBondContact OH-CG 3.43Å; Y92-P111 HydrophobicContact CD1-CG 3.87Å; Y92-P111 HydrophobicContact CE1-CG 4.16Å
93	G	91.4	Very high	92.7	Very high	46 Å²	46	55 Å²	55	47%	0.474	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	35.6	175.8	0	0	0	0	0	114.1	A89 Q90 R95	A89-G93 PolarHBondContact O-N 3.02Å; Q90-G93 PolarHBondContact O-N 3.27Å; G93-R95 PolarHBondContact O-N 2.78Å
94	V	91	Very high	92.5	Very high	19 Å²	19	54 Å²	54	12%	0.115	27%	0.271	C	S	.	.			trans	-71.7	116.1	176.7	177.7	0	0	0	0	109.6	F46 A89 Y92 G96 Y97 T99	F46-V94 HydrophobicContact CB-CG1 4.05Å; F46-V94 HydrophobicContact CB-CG2 3.87Å; F46-V94 HydrophobicContact CD1-CG2 3.89Å; F46-V94 HydrophobicContact CD2-CG2 3.89Å; F46-V94 HydrophobicContact CE1-CG2 4.41Å; F46-V94 HydrophobicContact CE2-CG2 4.43Å; F46-V94 HydrophobicContact CG-CG2 3.61Å; A89-V94 HydrophobicContact CB-CB 4.09Å; A89-V94 HydrophobicContact CB-CG2 4.32Å; A89-V94 WeakPolarHBondContact O-CB 3.49Å; A89-V94 WeakPolarHBondContact O-CG2 3.4Å; A89-V94 PolarHBondContact O-N 3.16Å; Y92-V94 PolarHBondContact O-N 3.18Å; V94-G96 WeakPolarHBondContact CG1-O 3.45Å; V94-Y97 HydrophobicContact CG1-CD1 4.03Å; V94-Y97 HydrophobicContact CG1-CE1 3.67Å; V94-T99 HydrophobicContact CG2-CG2 4.18Å
95	R	86.4	Confident	91.8	Very high	247 Å²	247	50.4 Å²	50.4	93%	0.932	27%	0.269	S	S	*	.			trans	-111.7	-3.9	-178.8	-63.3	-176.8	-179.3	-170.9	-1	114.1	G93	G93-R95 PolarHBondContact O-N 2.78Å
96	G	82.3	Confident	91	Very high	32 Å²	32	50.1 Å²	50.1	33%	0.33	28%	0.275	S	S	.	.	S	Bend	trans	-165.6	169.6	-177.8	0	0	0	0	0	111.3	V94 T99	V94-G96 WeakPolarHBondContact CG1-O 3.45Å; G96-T99 PolarHBondContact O-OG1 3Å
97	Y	87.4	Confident	90.4	Very high	71 Å²	71	52.5 Å²	52.5	28%	0.278	28%	0.278	S	S	.	.	S	Bend	trans	-128.5	140.8	-173.7	-51.3	-59.5	0	0	0	113	A48 W50 C51 A82 V94	A48-Y97 HydrophobicContact CB-CD2 3.56Å; A48-Y97 HydrophobicContact CB-CE2 3.78Å; A48-Y97 HydrophobicContact CB-CG 4.05Å; W50-Y97 HydrophobicContact CH2-CD2 4.14Å; W50-Y97 HydrophobicContact CH2-CE2 4.32Å; W50-Y97 HydrophobicContact CZ2-CD2 4.34Å; W50-Y97 HydrophobicContact CZ2-CE2 4.19Å; C51-Y97 PolarHBondContact SG-O 2.97Å; A82-Y97 HydrophobicContact CB-CD1 4.32Å; A82-Y97 HydrophobicContact CB-CE1 3.33Å; V94-Y97 HydrophobicContact CG1-CD1 4.03Å; V94-Y97 HydrophobicContact CG1-CE1 3.67Å
98	P	94.1	Very high	90	Very high	15 Å²	15	49.6 Å²	49.6	10%	0.097	26%	0.264	C	S	.	.	S	Bend	cis	-74.3	142.9	-11	29.9	-32.9	0	0	0	111.3	E45 F46 L57	E45-P98 HydrophobicContact CG-CB 4.12Å; F46-P98 WeakPolarHBondContact O-CA 3.23Å; L57-P98 HydrophobicContact CD2-CB 4.06Å; L57-P98 HydrophobicContact CD2-CG 3.87Å
99	T	94.6	Very high	89.5	Confident	15 Å²	15	57.8 Å²	57.8	9%	0.092	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.1	162.5	-71.8	0	0	0	0	107.6	F46 V94 G96 K101	F46-T99 PolarHBondContact N-O 3.43Å; F46-T99 PolarHBondContact O-N 3.48Å; F46-T99 VanDerWaalsContact O-N 3.13Å; V94-T99 HydrophobicContact CG2-CG2 4.18Å; G96-T99 PolarHBondContact O-OG1 3Å; T99-K101 HydrophobicContact CG2-CG 4.25Å
100	I	97.6	Very high	88.8	Confident	9 Å²	9	61.1 Å²	61.1	5%	0.046	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.9	-175.8	-55.1	169.3	0	0	0	108.5	L43 V44 E45 L57 Y61 Y114	L43-I100 HydrophobicContact CD1-CG2 3.62Å; L43-I100 HydrophobicContact CD2-CG2 4.05Å; L43-I100 HydrophobicContact CG-CG2 3.72Å; V44-I100 CarbonylContact O-C 3.45Å; V44-I100 VanDerWaalsContact O-CA 3.3Å; V44-I100 WeakPolarHBondContact O-CA 3.33Å; E45-I100 HydrophobicContact CB-CG1 4.39Å; E45-I100 HydrophobicContact CG-CG1 4.26Å; L57-I100 HydrophobicContact CD2-CD1 3.59Å; L57-I100 HydrophobicContact CD2-CG1 4.35Å; Y61-I100 HydrophobicContact CE2-CG2 4.43Å; I100-Y114 HydrophobicContact CB-CD1 4.35Å; I100-Y114 HydrophobicContact CB-CG 4.41Å; I100-Y114 HydrophobicContact CD1-CD1 3.95Å; I100-Y114 HydrophobicContact CD1-CE1 4.47Å; I100-Y114 HydrophobicContact CG2-CD1 4.39Å; I100-Y114 HydrophobicContact CG2-CG 4.14Å; I100-Y114 PolarHBondContact O-N 2.82Å
101	K	95.7	Very high	88.8	Confident	24 Å²	24	55.9 Å²	55.9	10%	0.104	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.6	-176.2	-72.8	-179.6	-172.4	-88.8	0	110.9	V44 F46 Y92 T99 F103 P111 K112	V44-K101 PolarHBondContact N-O 3.37Å; V44-K101 PolarHBondContact O-N 3.06Å; F46-K101 HydrophobicContact CE2-CB 4.28Å; F46-K101 HydrophobicContact CE2-CD 4.08Å; F46-K101 HydrophobicContact CE2-CG 4.46Å; Y92-K101 HydrophobicContact CG-CD 4.5Å; Y92-K101 WeakPolarHBondContact O-CE 3.04Å; Y92-K101 PolarHBondContact O-NZ 3.32Å; T99-K101 HydrophobicContact CG2-CG 4.25Å; K101-F103 HydrophobicContact CB-CE2 3.98Å; K101-F103 HydrophobicContact CB-CZ 4.47Å; K101-P111 HydrophobicContact CB-CB 4.14Å; K101-P111 HydrophobicContact CD-CG 4.13Å; K101-K112 CarbonylContact C-O 3.58Å; K101-K112 WeakPolarHBondContact CA-O 3.44Å
102	F	94.9	Very high	88.4	Confident	1 Å²	1	54.7 Å²	54.7	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.7	179.1	-177.8	-123.6	0	0	0	110.7	N41 L43 K104 P111 K112 W126 L127 R130 T131	N41-F102 HydrophobicContact CB-CE2 4.23Å; N41-F102 HydrophobicContact CB-CZ 4.15Å; L43-F102 HydrophobicContact CB-CD2 4.2Å; L43-F102 HydrophobicContact CD1-CB 3.65Å; L43-F102 HydrophobicContact CD1-CD2 4.1Å; L43-F102 HydrophobicContact CD1-CG 4.28Å; F102-K104 HydrophobicContact CD1-CB 4.23Å; F102-K104 HydrophobicContact CE1-CB 3.68Å; F102-K104 HydrophobicContact CE1-CD 4.24Å; F102-K104 HydrophobicContact CE1-CG 4.07Å; F102-K104 HydrophobicContact CZ-CB 4.17Å; F102-K104 HydrophobicContact CZ-CG 4.46Å; F102-P111 WeakPolarHBondContact O-CA 3.37Å; F102-K112 PolarHBondContact N-O 2.9Å; F102-K112 PolarHBondContact O-N 3.39Å; F102-W126 HydrophobicContact CB-CH2 3.62Å; F102-W126 HydrophobicContact CB-CZ3 3.65Å; F102-W126 AromaticContact CD1-CH2 3.97Å; F102-W126 HydrophobicContact CD1-CH2 3.97Å; F102-W126 AromaticContact CD1-CZ3 3.75Å; F102-W126 HydrophobicContact CD1-CZ3 3.75Å; F102-W126 HydrophobicContact CD2-CZ3 4.39Å; F102-W126 HydrophobicContact CG-CH2 4.01Å; F102-W126 AromaticContact CG-CZ3 3.66Å; F102-W126 HydrophobicContact CG-CZ3 3.66Å; F102-L127 HydrophobicContact CD2-CD2 3.56Å; F102-L127 HydrophobicContact CE2-CD2 3.58Å; F102-L127 HydrophobicContact CG-CD2 4.22Å; F102-L127 HydrophobicContact CZ-CD2 4.23Å; F102-R130 HydrophobicContact CE1-CB 4.19Å; F102-T131 HydrophobicContact CE1-CG2 4.29Å; F102-T131 HydrophobicContact CE2-CG2 4.43Å; F102-T131 HydrophobicContact CZ-CG2 3.57Å
103	F	93.3	Very high	88.3	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.1	174.9	-60.8	-100.1	0	0	0	107.8	F32 L36 P40 N41 L42 V44 Y92 K101 E107 P111	F32-F103 HydrophobicContact CE1-CE1 4.03Å; F32-F103 HydrophobicContact CE1-CZ 4Å; F32-F103 HydrophobicContact CZ-CD2 4.48Å; F32-F103 HydrophobicContact CZ-CE1 4.05Å; F32-F103 AromaticContact CZ-CE2 3.81Å; F32-F103 HydrophobicContact CZ-CE2 3.81Å; F32-F103 AromaticContact CZ-CZ 3.57Å; F32-F103 HydrophobicContact CZ-CZ 3.57Å; L36-F103 HydrophobicContact CD1-CD1 4.08Å; L36-F103 HydrophobicContact CD1-CE1 4.43Å; L36-F103 HydrophobicContact CD2-CB 3.38Å; L36-F103 HydrophobicContact CD2-CD1 3.72Å; L36-F103 HydrophobicContact CD2-CD2 4.26Å; L36-F103 HydrophobicContact CD2-CG 3.53Å; P40-F103 VanDerWaalsContact O-O 3.08Å; N41-F103 WeakPolarHBondContact CA-O 3.47Å; L42-F103 HydrophobicContact CB-CB 4.48Å; L42-F103 PolarHBondContact N-O 2.84Å; L42-F103 PolarHBondContact O-N 3.15Å; V44-F103 HydrophobicContact CB-CD2 4.41Å; V44-F103 HydrophobicContact CB-CE2 3.98Å; V44-F103 HydrophobicContact CG2-CD2 3.78Å; V44-F103 HydrophobicContact CG2-CE2 3.69Å; Y92-F103 HydrophobicContact CD1-CE1 4.35Å; Y92-F103 HydrophobicContact CD1-CZ 4.21Å; Y92-F103 HydrophobicContact CD2-CZ 4.38Å; Y92-F103 AromaticContact CE1-CE1 3.67Å; Y92-F103 HydrophobicContact CE1-CE1 3.67Å; Y92-F103 AromaticContact CE1-CZ 3.9Å; Y92-F103 HydrophobicContact CE1-CZ 3.9Å; Y92-F103 HydrophobicContact CE2-CE1 4.35Å; Y92-F103 HydrophobicContact CE2-CZ 4.04Å; Y92-F103 HydrophobicContact CG-CZ 4.45Å; Y92-F103 AromaticContact CZ-CE1 3.67Å; Y92-F103 AromaticContact CZ-CZ 3.8Å; K101-F103 HydrophobicContact CB-CE2 3.98Å; K101-F103 HydrophobicContact CB-CZ 4.47Å; F103-E107 WeakPolarHBondContact CD1-O 3.34Å; F103-P111 HydrophobicContact CD1-CB 3.74Å; F103-P111 HydrophobicContact CD1-CG 4.42Å; F103-P111 HydrophobicContact CD2-CB 4.22Å; F103-P111 HydrophobicContact CE1-CB 3.53Å; F103-P111 HydrophobicContact CE1-CG 3.78Å; F103-P111 HydrophobicContact CE2-CB 4.02Å; F103-P111 HydrophobicContact CG-CB 4.07Å; F103-P111 HydrophobicContact CZ-CB 3.66Å; F103-P111 HydrophobicContact CZ-CG 3.9Å
104	K	87.4	Confident	88.2	Confident	48 Å²	48	57.9 Å²	57.9	21%	0.209	30%	0.299	C	S	.	.			trans	-111.1	137.7	-177.3	-174.6	177	172.4	173.3	0	109.3	P40 F102 G106 E107 R130	P40-K104 CarbonylContact O-C 3.58Å; P40-K104 VanDerWaalsContact O-C 3.23Å; P40-K104 WeakPolarHBondContact O-CA 3.27Å; F102-K104 HydrophobicContact CD1-CB 4.23Å; F102-K104 HydrophobicContact CE1-CB 3.68Å; F102-K104 HydrophobicContact CE1-CD 4.24Å; F102-K104 HydrophobicContact CE1-CG 4.07Å; F102-K104 HydrophobicContact CZ-CB 4.17Å; F102-K104 HydrophobicContact CZ-CG 4.46Å; K104-G106 PolarHBondContact O-N 3.1Å; K104-G106 VanDerWaalsContact O-N 3.11Å; K104-E107 WeakPolarHBondContact O-CB 3.14Å; K104-E107 PolarHBondContact O-N 2.84Å; K104-R130 VanDerWaalsContact CE-O 3.3Å; K104-R130 WeakPolarHBondContact CE-O 3.36Å; K104-R130 PolarHBondContact NZ-O 3.42Å
105	G	82.9	Confident	87.8	Confident	55 Å²	55	62.3 Å²	62.3	57%	0.567	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	17.1	-178.6	0	0	0	0	0	115.2	P40 E107	P40-G105 CarbonylContact O-C 3.55Å; P40-G105 WeakPolarHBondContact O-CA 3.34Å; P40-G105 PolarHBondContact O-N 2.8Å; G105-E107 PolarHBondContact O-N 3.31Å
106	G	79.5	Confident	87.7	Confident	29 Å²	29	52.6 Å²	52.6	30%	0.299	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	13.6	-172.9	0	0	0	0	0	114.2	P40 K104 K108	P40-G106 PolarHBondContact O-N 2.73Å; K104-G106 PolarHBondContact O-N 3.1Å; K104-G106 VanDerWaalsContact O-N 3.11Å; G106-K108 PolarHBondContact O-N 3.48Å
107	E	80.3	Confident	87.8	Confident	121 Å²	121	52.6 Å²	52.6	57%	0.565	30%	0.303	S	S	*	.			trans	-70.1	111.4	177.2	-68.8	-177.9	-179.5	0	0	110.9	F103 K104 G105	F103-E107 WeakPolarHBondContact CD1-O 3.34Å; K104-E107 WeakPolarHBondContact O-CB 3.14Å; K104-E107 PolarHBondContact O-N 2.84Å; G105-E107 PolarHBondContact O-N 3.31Å
108	K	86.3	Confident	88	Confident	52 Å²	52	54.5 Å²	54.5	23%	0.226	31%	0.31	C	S	.	.			trans	-79.6	-35.5	-178.1	-165.2	179.7	176.5	179.2	0	113.1	D33 L36 E91 Y92 G106	D33-K108 WeakPolarHBondContact OD1-CE 3.38Å; D33-K108 IonicContact OD1-NZ 2.97Å; D33-K108 PolarHBondContact OD1-NZ 3.4Å; D33-K108 IonicContact OD2-NZ 3.14Å; L36-K108 HydrophobicContact CD1-CB 4.21Å; L36-K108 HydrophobicContact CD1-CG 3.99Å; E91-K108 WeakPolarHBondContact OE1-CE 3.17Å; E91-K108 IonicContact OE1-NZ 2.7Å; E91-K108 PolarHBondContact OE1-NZ 2.98Å; Y92-K108 HydrophobicContact CE1-CG 4.49Å; Y92-K108 WeakPolarHBondContact CE1-O 3.39Å; Y92-K108 WeakPolarHBondContact OH-CE 3.31Å; Y92-K108 WeakPolarHBondContact OH-CG 3.43Å; G106-K108 PolarHBondContact O-N 3.48Å
109	E	82.9	Confident	88	Confident	174 Å²	174	59 Å²	59	81%	0.813	33%	0.33	S	S	*	.	S	Bend	trans	-74.7	-30.8	-167.1	-58.1	-57.4	142	0	0	114.2
110	S	79.3	Confident	88	Confident	76 Å²	76	58.2 Å²	58.2	53%	0.531	33%	0.325	S	S	.	.	S	Bend	trans	-133	60.7	-171.9	56.4	0	0	0	0	112.9
111	P	90.5	Very high	87.7	Confident	25 Å²	25	62.3 Å²	62.3	16%	0.162	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-69.2	142.8	177.6	31.6	-35.7	0	0	0	110.8	Y92 K101 F102 F103	Y92-P111 HydrophobicContact CD1-CG 3.87Å; Y92-P111 HydrophobicContact CE1-CG 4.16Å; K101-P111 HydrophobicContact CB-CB 4.14Å; K101-P111 HydrophobicContact CD-CG 4.13Å; F102-P111 WeakPolarHBondContact O-CA 3.37Å; F103-P111 HydrophobicContact CD1-CB 3.74Å; F103-P111 HydrophobicContact CD1-CG 4.42Å; F103-P111 HydrophobicContact CD2-CB 4.22Å; F103-P111 HydrophobicContact CE1-CB 3.53Å; F103-P111 HydrophobicContact CE1-CG 3.78Å; F103-P111 HydrophobicContact CE2-CB 4.02Å; F103-P111 HydrophobicContact CG-CB 4.07Å; F103-P111 HydrophobicContact CZ-CB 3.66Å; F103-P111 HydrophobicContact CZ-CG 3.9Å
112	K	87.1	Confident	87.4	Confident	69 Å²	69	64.3 Å²	64.3	30%	0.3	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	125.5	-177.1	-71.2	171.8	176.5	156.8	0	110.3	K101 F102 D178	K101-K112 CarbonylContact C-O 3.58Å; K101-K112 WeakPolarHBondContact CA-O 3.44Å; F102-K112 PolarHBondContact N-O 2.9Å; F102-K112 PolarHBondContact O-N 3.39Å; K112-D178 WeakPolarHBondContact CD-OD2 3.34Å; K112-D178 WeakPolarHBondContact CE-OD2 3.27Å; K112-D178 IonicContact NZ-OD1 2.61Å; K112-D178 PolarHBondContact NZ-OD1 3.41Å; K112-D178 IonicContact NZ-OD2 3.95Å; K112-D178 PolarHBondContact NZ-OD2 3.12Å
113	E	89.7	Confident	87.4	Confident	118 Å²	118	64.3 Å²	64.3	55%	0.551	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	135.4	175.4	-169.5	162.5	-173.9	0	0	111
114	Y	89	Confident	87.4	Confident	15 Å²	15	64.7 Å²	64.7	6%	0.059	36%	0.361	C	S	.	.			trans	-90.9	115.7	175.7	175.7	-81.6	0	0	0	109.4	I100 A116 G117 I123 W126	I100-Y114 HydrophobicContact CB-CD1 4.35Å; I100-Y114 HydrophobicContact CB-CG 4.41Å; I100-Y114 HydrophobicContact CD1-CD1 3.95Å; I100-Y114 HydrophobicContact CD1-CE1 4.47Å; I100-Y114 HydrophobicContact CG2-CD1 4.39Å; I100-Y114 HydrophobicContact CG2-CG 4.14Å; I100-Y114 PolarHBondContact O-N 2.82Å; Y114-A116 HydrophobicContact CE1-CB 4.14Å; Y114-A116 WeakPolarHBondContact CE1-O 3.45Å; Y114-A116 HydrophobicContact CE2-CB 3.95Å; Y114-G117 WeakPolarHBondContact CE1-O 3.42Å; Y114-G117 PolarHBondContact OH-O 3.36Å; Y114-I123 HydrophobicContact CE1-CG1 4.36Å; Y114-I123 HydrophobicContact CE2-CG1 4.35Å; Y114-I123 WeakPolarHBondContact OH-CA 3.36Å; Y114-I123 WeakPolarHBondContact OH-CG1 3.41Å; Y114-I123 PolarHBondContact OH-N 3.23Å; Y114-W126 HydrophobicContact CD2-CB 4.46Å; Y114-W126 AromaticContact CD2-CD2 3.49Å; Y114-W126 HydrophobicContact CD2-CD2 3.49Å; Y114-W126 VanDerWaalsContact CD2-CD2 3.49Å; Y114-W126 AromaticContact CD2-CE2 3.69Å; Y114-W126 AromaticContact CD2-CE3 3.72Å; Y114-W126 HydrophobicContact CD2-CE3 3.72Å; Y114-W126 AromaticContact CD2-CG 3.85Å; Y114-W126 HydrophobicContact CD2-CG 3.85Å; Y114-W126 HydrophobicContact CD2-CH2 4.38Å; Y114-W126 HydrophobicContact CD2-CZ2 4.15Å; Y114-W126 HydrophobicContact CD2-CZ3 4.17Å; Y114-W126 HydrophobicContact CE2-CB 3.72Å; Y114-W126 AromaticContact CE2-CD1 3.95Å; Y114-W126 AromaticContact CE2-CD2 3.69Å; Y114-W126 HydrophobicContact CE2-CD2 3.69Å; Y114-W126 HydrophobicContact CE2-CE3 4.11Å; Y114-W126 AromaticContact CE2-CG 3.53Å; Y114-W126 HydrophobicContact CE2-CG 3.53Å
115	S	81.8	Confident	87.4	Confident	113 Å²	113	67.2 Å²	67.2	79%	0.79	38%	0.377	S	S	*	.			trans	-120.4	12.2	-178.4	56.7	0	0	0	0	113.7
116	A	85.9	Confident	87.6	Confident	42 Å²	42	65.7 Å²	65.7	35%	0.347	35%	0.354	S	S	.	.	S	Bend	trans	-84.5	-173.6	179.2	0	0	0	0	0	112.5	Y114 W126	Y114-A116 HydrophobicContact CE1-CB 4.14Å; Y114-A116 WeakPolarHBondContact CE1-O 3.45Å; Y114-A116 HydrophobicContact CE2-CB 3.95Å; A116-W126 VanDerWaalsContact CB-CD1 3.49Å; A116-W126 HydrophobicContact CB-CG 4.28Å
117	G	82.9	Confident	88.2	Confident	32 Å²	32	64.3 Å²	64.3	33%	0.33	34%	0.34	S	S	.	.			trans	-59.3	155.3	-177.7	0	0	0	0	0	113.6	Y114 D122	Y114-G117 WeakPolarHBondContact CE1-O 3.42Å; Y114-G117 PolarHBondContact OH-O 3.36Å; G117-D122 WeakPolarHBondContact CA-OD2 3.34Å; G117-D122 WeakPolarHBondContact O-CB 3.38Å
118	R	91.9	Very high	88.4	Confident	112 Å²	112	62.3 Å²	62.3	42%	0.423	33%	0.329	S	S	.	.	S	Bend	trans	-94.8	7.5	-174.9	-69.6	-175.8	178.8	177.6	-1.3	114	L57 E60	L57-R118 HydrophobicContact CD1-CB 4.04Å; L57-R118 HydrophobicContact CD1-CG 4.35Å; E60-R118 WeakPolarHBondContact CB-O 3.4Å
119	Q	95.2	Very high	88.1	Confident	108 Å²	108	67.4 Å²	67.4	51%	0.505	35%	0.352	S	S	.	.	S	Bend	trans	-83.8	153	175.4	-58.2	-64.4	-56.5	0	0	110.4	D121 D122 I123	Q119-D121 VanDerWaalsContact C-N 3.27Å; Q119-D121 PolarHBondContact O-N 3.45Å; Q119-D122 WeakPolarHBondContact CB-OD2 3.09Å; Q119-D122 PolarHBondContact N-OD2 2.99Å; Q119-D122 WeakPolarHBondContact O-CB 3.34Å; Q119-D122 PolarHBondContact O-N 3.29Å; Q119-D122 VanDerWaalsContact O-N 3.1Å; Q119-I123 PolarHBondContact O-N 2.63Å
120	A	94.9	Very high	87.9	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-55.1	-41.7	-179.4	0	0	0	0	0	113	E60 K63 A64 L67 D122 I123 V124	E60-A120 WeakPolarHBondContact O-CB 3.43Å; E60-A120 VanDerWaalsContact OE2-CB 3.29Å; E60-A120 WeakPolarHBondContact OE2-CB 3.21Å; E60-A120 PolarHBondContact OE2-N 2.95Å; K63-A120 HydrophobicContact CB-CB 4.04Å; K63-A120 HydrophobicContact CD-CB 3.77Å; K63-A120 HydrophobicContact CG-CB 3.79Å; A64-A120 HydrophobicContact CB-CB 4.12Å; L67-A120 HydrophobicContact CD1-CB 4.42Å; A120-D122 VanDerWaalsContact C-N 3.34Å; A120-D122 PolarHBondContact O-N 2.77Å; A120-I123 PolarHBondContact O-N 2.98Å; A120-V124 WeakPolarHBondContact O-CG2 3.31Å; A120-V124 PolarHBondContact O-N 2.83Å
121	D	90.6	Very high	88	Confident	94 Å²	94	60.4 Å²	60.4	50%	0.503	31%	0.311	S	S	.	.	H	α-helix	trans	-66.2	-35.8	-179.4	-65.7	-32.1	0	0	0	112	Q119 N125	Q119-D121 VanDerWaalsContact C-N 3.27Å; Q119-D121 PolarHBondContact O-N 3.45Å; D121-N125 VanDerWaalsContact O-CB 3.24Å; D121-N125 WeakPolarHBondContact O-CB 3.35Å; D121-N125 PolarHBondContact O-N 2.94Å; D121-N125 PolarHBondContact O-ND2 2.96Å
122	D	88.8	Confident	87.2	Confident	66 Å²	66	60.6 Å²	60.6	35%	0.353	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-45.4	176.2	-61.9	-39.6	0	0	0	110.6	G117 Q119 A120 N125 W126	G117-D122 WeakPolarHBondContact CA-OD2 3.34Å; G117-D122 WeakPolarHBondContact O-CB 3.38Å; Q119-D122 WeakPolarHBondContact CB-OD2 3.09Å; Q119-D122 PolarHBondContact N-OD2 2.99Å; Q119-D122 WeakPolarHBondContact O-CB 3.34Å; Q119-D122 PolarHBondContact O-N 3.29Å; Q119-D122 VanDerWaalsContact O-N 3.1Å; A120-D122 VanDerWaalsContact C-N 3.34Å; A120-D122 PolarHBondContact O-N 2.77Å; D122-N125 PolarHBondContact O-N 2.93Å; D122-W126 WeakPolarHBondContact O-CB 3.32Å; D122-W126 PolarHBondContact O-N 3.14Å
123	I	94.9	Very high	86.6	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-60.9	-50.7	178.5	-64.9	165.7	0	0	0	110	L43 L57 Y61 A64 L77 Y114 Q119 A120 N125 W126 L127	L43-I123 HydrophobicContact CD2-CG2 3.7Å; L57-I123 HydrophobicContact CD1-CD1 4.31Å; Y61-I123 HydrophobicContact CD2-CD1 3.99Å; A64-I123 HydrophobicContact CB-CB 4.08Å; A64-I123 HydrophobicContact CB-CD1 4.35Å; A64-I123 HydrophobicContact CB-CG2 3.91Å; L77-I123 HydrophobicContact CD2-CG2 4.39Å; Y114-I123 HydrophobicContact CE1-CG1 4.36Å; Y114-I123 HydrophobicContact CE2-CG1 4.35Å; Y114-I123 WeakPolarHBondContact OH-CA 3.36Å; Y114-I123 WeakPolarHBondContact OH-CG1 3.41Å; Y114-I123 PolarHBondContact OH-N 3.23Å; Q119-I123 PolarHBondContact O-N 2.63Å; A120-I123 PolarHBondContact O-N 2.98Å; I123-N125 PolarHBondContact O-N 3.24Å; I123-W126 PolarHBondContact O-N 2.62Å; I123-L127 HydrophobicContact CG2-CD1 3.78Å; I123-L127 WeakPolarHBondContact O-CB 3.38Å; I123-L127 VanDerWaalsContact O-CG 3.31Å; I123-L127 WeakPolarHBondContact O-CG 3.45Å; I123-L127 PolarHBondContact O-N 2.95Å
124	V	93.3	Very high	86.2	Confident	8 Å²	8	58.6 Å²	58.6	5%	0.048	33%	0.325	C	S	.	.	H	α-helix	trans	-61.2	-46.5	-179.6	171.9	0	0	0	0	111	A64 L67 L68 A120 W126 L127 K128	A64-V124 HydrophobicContact CB-CG2 4.02Å; L67-V124 HydrophobicContact CB-CG2 4.3Å; L67-V124 HydrophobicContact CD1-CG2 4.32Å; L68-V124 HydrophobicContact CD2-CG1 4.21Å; L68-V124 HydrophobicContact CG-CG2 4.17Å; A120-V124 WeakPolarHBondContact O-CG2 3.31Å; A120-V124 PolarHBondContact O-N 2.83Å; V124-W126 PolarHBondContact O-N 3.16Å; V124-L127 PolarHBondContact O-N 3.46Å; V124-K128 HydrophobicContact CG1-CD 3.85Å; V124-K128 HydrophobicContact CG1-CG 4.33Å; V124-K128 WeakPolarHBondContact O-CB 3.13Å; V124-K128 WeakPolarHBondContact O-CG 3.45Å; V124-K128 PolarHBondContact O-N 3.36Å
125	N	86.9	Confident	86.1	Confident	101 Å²	101	58.2 Å²	58.2	54%	0.54	32%	0.324	S	S	.	.	H	α-helix	trans	-64.1	-41	179.8	-72.9	-30.9	0	0	0	111.9	D121 D122 I123 K129	D121-N125 VanDerWaalsContact O-CB 3.24Å; D121-N125 WeakPolarHBondContact O-CB 3.35Å; D121-N125 PolarHBondContact O-N 2.94Å; D121-N125 PolarHBondContact O-ND2 2.96Å; D122-N125 PolarHBondContact O-N 2.93Å; I123-N125 PolarHBondContact O-N 3.24Å; N125-K129 WeakPolarHBondContact O-CB 3.23Å; N125-K129 PolarHBondContact O-N 3.02Å
126	W	88.7	Confident	86.6	Confident	24 Å²	24	54.9 Å²	54.9	9%	0.091	30%	0.303	C	S	.	.	H	α-helix	trans	-63.8	-41.6	177.9	-173.4	103.6	0	0	0	112.2	L43 F102 Y114 A116 D122 I123 V124 R130	L43-W126 HydrophobicContact CD1-CZ3 4.44Å; F102-W126 HydrophobicContact CB-CH2 3.62Å; F102-W126 HydrophobicContact CB-CZ3 3.65Å; F102-W126 AromaticContact CD1-CH2 3.97Å; F102-W126 HydrophobicContact CD1-CH2 3.97Å; F102-W126 AromaticContact CD1-CZ3 3.75Å; F102-W126 HydrophobicContact CD1-CZ3 3.75Å; F102-W126 HydrophobicContact CD2-CZ3 4.39Å; F102-W126 HydrophobicContact CG-CH2 4.01Å; F102-W126 AromaticContact CG-CZ3 3.66Å; F102-W126 HydrophobicContact CG-CZ3 3.66Å; Y114-W126 HydrophobicContact CD2-CB 4.46Å; Y114-W126 AromaticContact CD2-CD2 3.49Å; Y114-W126 HydrophobicContact CD2-CD2 3.49Å; Y114-W126 VanDerWaalsContact CD2-CD2 3.49Å; Y114-W126 AromaticContact CD2-CE2 3.69Å; Y114-W126 AromaticContact CD2-CE3 3.72Å; Y114-W126 HydrophobicContact CD2-CE3 3.72Å; Y114-W126 AromaticContact CD2-CG 3.85Å; Y114-W126 HydrophobicContact CD2-CG 3.85Å; Y114-W126 HydrophobicContact CD2-CH2 4.38Å; Y114-W126 HydrophobicContact CD2-CZ2 4.15Å; Y114-W126 HydrophobicContact CD2-CZ3 4.17Å; Y114-W126 HydrophobicContact CE2-CB 3.72Å; Y114-W126 AromaticContact CE2-CD1 3.95Å; Y114-W126 AromaticContact CE2-CD2 3.69Å; Y114-W126 HydrophobicContact CE2-CD2 3.69Å; Y114-W126 HydrophobicContact CE2-CE3 4.11Å; Y114-W126 AromaticContact CE2-CG 3.53Å; Y114-W126 HydrophobicContact CE2-CG 3.53Å; A116-W126 VanDerWaalsContact CB-CD1 3.49Å; A116-W126 HydrophobicContact CB-CG 4.28Å; D122-W126 WeakPolarHBondContact O-CB 3.32Å; D122-W126 PolarHBondContact O-N 3.14Å; I123-W126 PolarHBondContact O-N 2.62Å; V124-W126 PolarHBondContact O-N 3.16Å; W126-R130 VanDerWaalsContact CD2-NH1 3.29Å; W126-R130 VanDerWaalsContact CG-NH1 3.33Å; W126-R130 VanDerWaalsContact CZ2-CD 3.49Å; W126-R130 VanDerWaalsContact CZ3-CD 3.44Å; W126-R130 PolarHBondContact O-N 3.49Å; W126-R130 PolarHBondContact O-NH1 2.59Å
127	L	90.5	Very high	87	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-68.1	-50.4	177.5	-72.8	168.2	0	0	0	111	L43 L68 I75 L77 F102 I123 V124 K129 R130 T131	L43-L127 HydrophobicContact CB-CD1 4.4Å; L43-L127 HydrophobicContact CB-CD2 4.07Å; L43-L127 HydrophobicContact CD1-CD2 4.23Å; L43-L127 HydrophobicContact CD2-CD1 3.9Å; L43-L127 HydrophobicContact CD2-CD2 4.23Å; L43-L127 HydrophobicContact CD2-CG 4.32Å; L43-L127 HydrophobicContact CG-CD2 4.41Å; L68-L127 HydrophobicContact CD1-CD1 3.8Å; I75-L127 HydrophobicContact CD1-CB 3.91Å; I75-L127 HydrophobicContact CG2-CB 4.36Å; I75-L127 HydrophobicContact CG2-CD1 3.89Å; I75-L127 HydrophobicContact CG2-CD2 4.1Å; I75-L127 HydrophobicContact CG2-CG 4.34Å; L77-L127 HydrophobicContact CD1-CD1 3.84Å; F102-L127 HydrophobicContact CD2-CD2 3.56Å; F102-L127 HydrophobicContact CE2-CD2 3.58Å; F102-L127 HydrophobicContact CG-CD2 4.22Å; F102-L127 HydrophobicContact CZ-CD2 4.23Å; I123-L127 HydrophobicContact CG2-CD1 3.78Å; I123-L127 WeakPolarHBondContact O-CB 3.38Å; I123-L127 VanDerWaalsContact O-CG 3.31Å; I123-L127 WeakPolarHBondContact O-CG 3.45Å; I123-L127 PolarHBondContact O-N 2.95Å; V124-L127 PolarHBondContact O-N 3.46Å; L127-K129 PolarHBondContact O-N 3.49Å; L127-R130 PolarHBondContact O-N 2.95Å; L127-T131 PolarHBondContact O-N 2.88Å; L127-T131 PolarHBondContact O-OG1 3.19Å; L127-T131 VanDerWaalsContact O-OG1 3.07Å
128	K	85.3	Confident	87.6	Confident	78 Å²	78	57 Å²	57	34%	0.339	31%	0.305	S	S	.	.	H	α-helix	trans	-56.5	-38.3	177.1	-75.8	179.5	177.1	174.3	0	112.3	E71 V124 R130 G132	E71-K128 IonicContact OE1-NZ 3.53Å; E71-K128 PolarHBondContact OE1-NZ 3.17Å; E71-K128 WeakPolarHBondContact OE2-CE 3.29Å; E71-K128 IonicContact OE2-NZ 2.69Å; E71-K128 PolarHBondContact OE2-NZ 2.83Å; V124-K128 HydrophobicContact CG1-CD 3.85Å; V124-K128 HydrophobicContact CG1-CG 4.33Å; V124-K128 WeakPolarHBondContact O-CB 3.13Å; V124-K128 WeakPolarHBondContact O-CG 3.45Å; V124-K128 PolarHBondContact O-N 3.36Å; K128-R130 PolarHBondContact O-N 3.03Å; K128-G132 WeakPolarHBondContact O-CA 3.46Å; K128-G132 PolarHBondContact O-N 3.21Å
129	K	80.4	Confident	87.8	Confident	159 Å²	159	56 Å²	56	69%	0.691	31%	0.312	S	S	*	.	H	α-helix	trans	-63.2	-29.5	175.5	-172.9	174	179.2	178.6	0	112.9	N125 L127	N125-K129 WeakPolarHBondContact O-CB 3.23Å; N125-K129 PolarHBondContact O-N 3.02Å; L127-K129 PolarHBondContact O-N 3.49Å
130	R	79.4	Confident	87.8	Confident	60 Å²	60	55.9 Å²	55.9	23%	0.226	31%	0.311	C	S	.	.	H	α-helix	trans	-99.3	-19.1	-174.9	-76.8	173.5	174.5	76.7	-3.5	114.8	F102 K104 W126 L127 K128 D178	F102-R130 HydrophobicContact CE1-CB 4.19Å; K104-R130 VanDerWaalsContact CE-O 3.3Å; K104-R130 WeakPolarHBondContact CE-O 3.36Å; K104-R130 PolarHBondContact NZ-O 3.42Å; W126-R130 VanDerWaalsContact CD2-NH1 3.29Å; W126-R130 VanDerWaalsContact CG-NH1 3.33Å; W126-R130 VanDerWaalsContact CZ2-CD 3.49Å; W126-R130 VanDerWaalsContact CZ3-CD 3.44Å; W126-R130 PolarHBondContact O-N 3.49Å; W126-R130 PolarHBondContact O-NH1 2.59Å; L127-R130 PolarHBondContact O-N 2.95Å; K128-R130 PolarHBondContact O-N 3.03Å; R130-D178 IonicContact NE-OD2 2.84Å
131	T	80.1	Confident	87.9	Confident	43 Å²	43	57.2 Å²	57.2	26%	0.264	32%	0.319	S	S	.	.	H	α-helix	trans	-108.5	-7.5	176.1	65	0	0	0	0	113.2	N41 I75 F102 L127	N41-T131 HydrophobicContact CB-CG2 4.04Å; I75-T131 HydrophobicContact CD1-CG2 3.8Å; I75-T131 WeakPolarHBondContact CD1-OG1 3.31Å; I75-T131 HydrophobicContact CG1-CG2 3.94Å; F102-T131 HydrophobicContact CE1-CG2 4.29Å; F102-T131 HydrophobicContact CE2-CG2 4.43Å; F102-T131 HydrophobicContact CZ-CG2 3.57Å; L127-T131 PolarHBondContact O-N 2.88Å; L127-T131 PolarHBondContact O-OG1 3.19Å; L127-T131 VanDerWaalsContact O-OG1 3.07Å
132	G	73.6	Confident	88.2	Confident	30 Å²	30	57.2 Å²	57.2	31%	0.309	32%	0.322	S	S	.	.	S	Bend	trans	-62.5	174.2	167	0	0	0	0	0	111.6	K128 A134	K128-G132 WeakPolarHBondContact O-CA 3.46Å; K128-G132 PolarHBondContact O-N 3.21Å; G132-A134 PolarHBondContact O-N 3.02Å
133	P	75.4	Confident	88.5	Confident	111 Å²	111	56 Å²	56	72%	0.721	32%	0.321	S	S	*	.			trans	-56.1	127.7	177.2	25.4	-33.3	0	0	0	109	V135	P133-V135 PolarHBondContact O-N 2.91Å
134	A	81.1	Confident	88.5	Confident	33 Å²	33	55.9 Å²	55.9	27%	0.273	32%	0.321	S	S	.	.	S	Bend	trans	-56.5	-25.1	-179.4	0	0	0	0	0	111.8	G132 A174 E175	G132-A134 PolarHBondContact O-N 3.02Å; A134-A174 HydrophobicContact CB-CB 3.82Å; A134-A174 WeakPolarHBondContact O-CB 3.36Å; A134-E175 HydrophobicContact CB-CB 4.43Å; A134-E175 HydrophobicContact CB-CG 3.61Å
135	V	87.6	Confident	88.7	Confident	8 Å²	8	59 Å²	59	5%	0.048	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116	176.6	-172.1	0	0	0	0	109.5	P133 L170 E171 A174 F182 A183 M184	P133-V135 PolarHBondContact O-N 2.91Å; V135-L170 HydrophobicContact CG1-CD2 4.24Å; V135-L170 HydrophobicContact CG2-CG 4.42Å; V135-E171 HydrophobicContact CB-CG 4.41Å; V135-E171 HydrophobicContact CG2-CB 4.32Å; V135-E171 HydrophobicContact CG2-CG 3.94Å; V135-A174 HydrophobicContact CG2-CB 3.55Å; V135-F182 WeakPolarHBondContact CA-O 3.38Å; V135-F182 HydrophobicContact CG1-CB 4.48Å; V135-F182 HydrophobicContact CG2-CB 4.06Å; V135-A183 VanDerWaalsContact CG1-CA 3.48Å; V135-M184 HydrophobicContact CB-CE 3.78Å; V135-M184 HydrophobicContact CG1-CB 3.66Å; V135-M184 HydrophobicContact CG1-CE 3.52Å; V135-M184 HydrophobicContact CG1-CG 3.7Å; V135-M184 HydrophobicContact CG1-SD 4.46Å; V135-M184 HydrophobicContact CG2-CE 4.29Å
136	A	90.4	Very high	89.1	Confident	42 Å²	42	57.1 Å²	57.1	35%	0.347	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.3	175.6	0	0	0	0	0	111.7	F182 A183 M184	A136-F182 PolarHBondContact N-O 2.81Å; A136-A183 HydrophobicContact CB-CB 4.22Å; A136-A183 CarbonylContact O-C 3.59Å; A136-A183 WeakPolarHBondContact O-CA 3.04Å; A136-A183 WeakPolarHBondContact O-CB 3.43Å; A136-M184 PolarHBondContact O-N 3.27Å
137	T	94.6	Very high	89.3	Confident	106 Å²	106	57.4 Å²	57.4	65%	0.65	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.1	173.5	-50.7	0	0	0	0	110.9
138	L	95.8	Very high	89.5	Confident	14 Å²	14	59.1 Å²	59.1	7%	0.073	34%	0.342	C	S	.	.			trans	-105.4	118.2	177.6	-58.6	170.4	0	0	0	110.4	A143 A144 L147 I156 A183 M184 T185 I190	L138-A143 HydrophobicContact CD2-CB 3.92Å; L138-A144 HydrophobicContact CD1-CB 3.89Å; L138-L147 HydrophobicContact CD1-CD2 4.11Å; L138-I156 HydrophobicContact CD1-CD1 3.97Å; L138-I156 HydrophobicContact CD1-CG1 4.34Å; L138-I156 HydrophobicContact CD1-CG2 4.19Å; L138-A183 HydrophobicContact CD1-CB 3.48Å; L138-A183 VanDerWaalsContact CD1-CB 3.48Å; L138-A183 HydrophobicContact CD2-CB 4.39Å; L138-A183 HydrophobicContact CG-CB 3.78Å; L138-M184 PolarHBondContact N-O 2.91Å; L138-T185 WeakPolarHBondContact O-CB 3.48Å; L138-T185 PolarHBondContact O-OG1 3.28Å; L138-I190 HydrophobicContact CB-CD1 3.96Å
139	T	95.6	Very high	89.9	Confident	91 Å²	91	58.3 Å²	58.3	56%	0.558	35%	0.349	S	S	*	.			trans	-102.7	-32	176.6	58	0	0	0	0	112.5	S187	T139-S187 PolarHBondContact O-OG 3.33Å
140	E	96.1	Very high	90.4	Very high	105 Å²	105	56.7 Å²	56.7	49%	0.491	35%	0.348	S	S	.	.	S	Bend	trans	-111.2	143.3	-175	-58.1	-57.3	140.5	0	0	112.4	T142 A143 A144 I190	E140-T142 VanDerWaalsContact C-N 3.25Å; E140-T142 PolarHBondContact O-N 2.86Å; E140-A143 HydrophobicContact CB-CB 4.49Å; E140-A143 WeakPolarHBondContact O-CB 3.49Å; E140-A143 PolarHBondContact O-N 2.88Å; E140-A143 VanDerWaalsContact O-N 3.13Å; E140-A144 PolarHBondContact O-N 3.37Å; E140-I190 WeakPolarHBondContact O-CD1 3.26Å
141	V	97.1	Very high	90.8	Very high	28 Å²	28	55.6 Å²	55.6	17%	0.17	35%	0.347	C	S	.	.	H	α-helix	trans	-56.7	-40.5	176.6	171.8	0	0	0	0	111.9	A143 A144 E145 E189 I190 K193	V141-A143 VanDerWaalsContact C-N 3.28Å; V141-A143 PolarHBondContact O-N 3.41Å; V141-A144 PolarHBondContact O-N 2.85Å; V141-E145 HydrophobicContact CG1-CG 4.21Å; V141-E145 WeakPolarHBondContact O-CG 3.15Å; V141-E145 PolarHBondContact O-N 3.17Å; V141-E189 HydrophobicContact CG2-CB 3.99Å; V141-I190 HydrophobicContact CG2-CG1 3.98Å; V141-K193 HydrophobicContact CG1-CB 4.24Å; V141-K193 HydrophobicContact CG1-CD 3.94Å; V141-K193 HydrophobicContact CG1-CG 3.77Å; V141-K193 HydrophobicContact CG2-CB 4.26Å
142	T	96.3	Very high	91.3	Very high	93 Å²	93	59.2 Å²	59.2	57%	0.571	36%	0.361	S	S	*	.	H	α-helix	trans	-62.5	-34.5	180	52.1	0	0	0	0	112.6	E140 S146	E140-T142 VanDerWaalsContact C-N 3.25Å; E140-T142 PolarHBondContact O-N 2.86Å; T142-S146 WeakPolarHBondContact O-CB 3.5Å; T142-S146 PolarHBondContact O-N 2.81Å; T142-S146 PolarHBondContact O-OG 2.86Å
143	A	94.9	Very high	92.3	Very high	40 Å²	40	58.4 Å²	58.4	33%	0.331	35%	0.35	S	S	.	.	H	α-helix	trans	-69.4	-41.1	176.4	0	0	0	0	0	111.2	L138 E140 V141 S146 L147	L138-A143 HydrophobicContact CD2-CB 3.92Å; E140-A143 HydrophobicContact CB-CB 4.49Å; E140-A143 WeakPolarHBondContact O-CB 3.49Å; E140-A143 PolarHBondContact O-N 2.88Å; E140-A143 VanDerWaalsContact O-N 3.13Å; V141-A143 VanDerWaalsContact C-N 3.28Å; V141-A143 PolarHBondContact O-N 3.41Å; A143-S146 PolarHBondContact O-N 3.38Å; A143-L147 WeakPolarHBondContact O-CB 3.32Å; A143-L147 PolarHBondContact O-N 2.78Å
144	A	96.1	Very high	93.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.8	-43.3	175.6	0	0	0	0	0	111.9	L138 E140 V141 L147 I148 I156 I190 F194	L138-A144 HydrophobicContact CD1-CB 3.89Å; E140-A144 PolarHBondContact O-N 3.37Å; V141-A144 PolarHBondContact O-N 2.85Å; A144-L147 PolarHBondContact O-N 2.99Å; A144-I148 WeakPolarHBondContact O-CG1 3.4Å; A144-I148 PolarHBondContact O-N 3.45Å; A144-I148 VanDerWaalsContact O-N 3.15Å; A144-I156 HydrophobicContact CB-CD1 4.31Å; A144-I190 HydrophobicContact CB-CD1 4.38Å; A144-I190 HydrophobicContact CB-CG2 4.11Å; A144-F194 HydrophobicContact CB-CE2 3.7Å; A144-F194 HydrophobicContact CB-CZ 4.14Å
145	E	97	Very high	94.1	Very high	74 Å²	74	51.6 Å²	51.6	35%	0.346	30%	0.303	S	S	.	.	H	α-helix	trans	-62.7	-42.2	175.2	-71.9	178	148.5	0	0	111.9	V141 I148 A149 K193 F194	V141-E145 HydrophobicContact CG1-CG 4.21Å; V141-E145 WeakPolarHBondContact O-CG 3.15Å; V141-E145 PolarHBondContact O-N 3.17Å; E145-I148 PolarHBondContact O-N 3.32Å; E145-A149 VanDerWaalsContact O-CB 3.24Å; E145-A149 WeakPolarHBondContact O-CB 3.31Å; E145-A149 PolarHBondContact O-N 3.39Å; E145-K193 WeakPolarHBondContact OE1-CE 3.47Å; E145-K193 IonicContact OE1-NZ 2.81Å; E145-K193 PolarHBondContact OE1-NZ 3.1Å; E145-F194 HydrophobicContact CG-CZ 4.47Å
146	S	94.8	Very high	94.6	Very high	60 Å²	60	51.2 Å²	51.2	42%	0.42	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-44.3	177.6	-56.1	0	0	0	0	111.3	T142 A143 I148 A149 D150	T142-S146 WeakPolarHBondContact O-CB 3.5Å; T142-S146 PolarHBondContact O-N 2.81Å; T142-S146 PolarHBondContact O-OG 2.86Å; A143-S146 PolarHBondContact O-N 3.38Å; S146-I148 VanDerWaalsContact C-N 3.29Å; S146-I148 PolarHBondContact O-N 3.14Å; S146-A149 PolarHBondContact O-N 3.39Å; S146-A149 VanDerWaalsContact O-N 3.15Å; S146-D150 VanDerWaalsContact O-CB 3.29Å; S146-D150 WeakPolarHBondContact O-CB 3.44Å; S146-D150 PolarHBondContact O-N 2.92Å
147	L	93.6	Very high	95	Very high	31 Å²	31	49.2 Å²	49.2	16%	0.162	28%	0.284	C	S	.	.	H	α-helix	trans	-55.8	-44.8	175.4	-177.6	72.7	0	0	0	111.8	L138 A143 A144 N151 A154 I156 P181 A183	L138-L147 HydrophobicContact CD1-CD2 4.11Å; A143-L147 WeakPolarHBondContact O-CB 3.32Å; A143-L147 PolarHBondContact O-N 2.78Å; A144-L147 PolarHBondContact O-N 2.99Å; L147-N151 PolarHBondContact O-ND2 2.9Å; L147-A154 HydrophobicContact CD2-CB 4.5Å; L147-A154 HydrophobicContact CG-CB 4.21Å; L147-I156 HydrophobicContact CD2-CD1 4.33Å; L147-I156 HydrophobicContact CD2-CG1 4.17Å; L147-P181 HydrophobicContact CD1-CB 4.1Å; L147-P181 HydrophobicContact CD1-CG 4.36Å; L147-A183 HydrophobicContact CD2-CB 3.37Å
148	I	95.3	Very high	95.2	Very high	36 Å²	36	44.2 Å²	44.2	19%	0.185	25%	0.253	C	S	.	.	H	α-helix	trans	-70.4	-39.3	178.4	-63.6	164.3	0	0	0	111.1	A144 E145 S146 I156 F194 F204	A144-I148 WeakPolarHBondContact O-CG1 3.4Å; A144-I148 PolarHBondContact O-N 3.45Å; A144-I148 VanDerWaalsContact O-N 3.15Å; E145-I148 PolarHBondContact O-N 3.32Å; S146-I148 VanDerWaalsContact C-N 3.29Å; S146-I148 PolarHBondContact O-N 3.14Å; I148-I156 HydrophobicContact CD1-CD1 3.95Å; I148-I156 HydrophobicContact CG1-CD1 4.13Å; I148-F194 HydrophobicContact CD1-CD1 4.48Å; I148-F194 HydrophobicContact CD1-CE1 3.49Å; I148-F194 VanDerWaalsContact CD1-CE1 3.49Å; I148-F194 HydrophobicContact CD1-CE2 4.42Å; I148-F194 HydrophobicContact CD1-CZ 3.46Å; I148-F194 VanDerWaalsContact CD1-CZ 3.46Å; I148-F204 HydrophobicContact CB-CB 4.5Å; I148-F204 HydrophobicContact CD1-CB 4.23Å; I148-F204 HydrophobicContact CD1-CD1 3.75Å; I148-F204 HydrophobicContact CD1-CD2 3.7Å; I148-F204 HydrophobicContact CD1-CE1 3.95Å; I148-F204 HydrophobicContact CD1-CE2 3.91Å; I148-F204 HydrophobicContact CD1-CG 3.61Å; I148-F204 HydrophobicContact CD1-CZ 4.02Å; I148-F204 HydrophobicContact CG1-CB 3.92Å; I148-F204 HydrophobicContact CG1-CD1 4.38Å; I148-F204 HydrophobicContact CG1-CD2 3.92Å; I148-F204 HydrophobicContact CG1-CG 3.81Å; I148-F204 HydrophobicContact CG2-CB 3.86Å; I148-F204 HydrophobicContact CG2-CG 4.33Å
149	A	93.1	Very high	95.3	Very high	60 Å²	60	43.6 Å²	43.6	50%	0.496	25%	0.25	S	S	.	.	H	α-helix	trans	-71.5	-32.4	-178.5	0	0	0	0	0	113	E145 S146 K206	E145-A149 VanDerWaalsContact O-CB 3.24Å; E145-A149 WeakPolarHBondContact O-CB 3.31Å; E145-A149 PolarHBondContact O-N 3.39Å; S146-A149 PolarHBondContact O-N 3.39Å; S146-A149 VanDerWaalsContact O-N 3.15Å; A149-K206 WeakPolarHBondContact O-CE 3.36Å; A149-K206 PolarHBondContact O-NZ 2.89Å
150	D	90.6	Very high	95.3	Very high	125 Å²	125	43.7 Å²	43.7	67%	0.668	24%	0.243	S	C	*	.	H	α-helix	trans	-83.8	-17.4	-175.5	-68.7	-17.4	0	0	0	112.8	S146	S146-D150 VanDerWaalsContact O-CB 3.29Å; S146-D150 WeakPolarHBondContact O-CB 3.44Å; S146-D150 PolarHBondContact O-N 2.92Å
151	N	88.6	Confident	95.2	Very high	38 Å²	38	43 Å²	43	20%	0.203	24%	0.243	C	C	.	.			trans	-119.7	146.7	-173.7	-60.3	-84.1	0	0	0	111.2	L147 V153 A154 P181 K206	L147-N151 PolarHBondContact O-ND2 2.9Å; N151-V153 VanDerWaalsContact C-N 3.3Å; N151-V153 WeakPolarHBondContact CB-O 3.3Å; N151-A154 HydrophobicContact CB-CB 4.45Å; N151-P181 HydrophobicContact CB-CG 3.86Å; N151-K206 WeakPolarHBondContact O-CE 3.48Å; N151-K206 PolarHBondContact O-NZ 3.19Å
152	E	90	Very high	94.9	Very high	118 Å²	118	43.7 Å²	43.7	55%	0.551	25%	0.251	S	S	*	.	S	Bend	trans	-69.1	-35	177	-161.9	178.3	119.3	0	0	111.7	K205 K206 F207	E152-K205 CarbonylContact O-C 3.53Å; E152-K205 VanDerWaalsContact O-CA 3.25Å; E152-K205 WeakPolarHBondContact O-CA 3.37Å; E152-K206 PolarHBondContact O-N 3.43Å; E152-F207 HydrophobicContact CG-CD1 4.18Å; E152-F207 HydrophobicContact CG-CE1 3.93Å
153	V	94.1	Very high	94.7	Very high	14 Å²	14	45.6 Å²	45.6	9%	0.085	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.4	173	-178.3	0	0	0	0	108.2	N151 V180 P181 L203 F204 K205 F207 Q231	N151-V153 VanDerWaalsContact C-N 3.3Å; N151-V153 WeakPolarHBondContact CB-O 3.3Å; V153-V180 HydrophobicContact CB-CG1 4.5Å; V153-V180 HydrophobicContact CG1-CG1 3.95Å; V153-V180 HydrophobicContact CG1-CG2 4.4Å; V153-P181 VanDerWaalsContact O-CD 3.26Å; V153-P181 WeakPolarHBondContact O-CD 3.5Å; V153-L203 HydrophobicContact CG1-CD1 3.84Å; V153-L203 HydrophobicContact CG1-CD2 3.92Å; V153-L203 HydrophobicContact CG1-CG 3.77Å; V153-F204 CarbonylContact C-O 3.49Å; V153-F204 VanDerWaalsContact CA-O 3.27Å; V153-F204 WeakPolarHBondContact CA-O 3.26Å; V153-K205 HydrophobicContact CG2-CB 4.13Å; V153-F207 HydrophobicContact CG2-CE1 3.93Å; V153-F207 HydrophobicContact CG2-CZ 3.78Å; V153-Q231 HydrophobicContact CG1-CB 4.19Å; V153-Q231 HydrophobicContact CG2-CB 4.37Å
154	A	96.9	Very high	94.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	146.5	173	0	0	0	0	0	110.5	L147 N151 P181 L203 F204	L147-A154 HydrophobicContact CD2-CB 4.5Å; L147-A154 HydrophobicContact CG-CB 4.21Å; N151-A154 HydrophobicContact CB-CB 4.45Å; A154-P181 HydrophobicContact CB-CG 4.06Å; A154-L203 CarbonylContact O-C 3.57Å; A154-L203 WeakPolarHBondContact O-CA 3.33Å; A154-F204 PolarHBondContact N-O 2.75Å; A154-F204 PolarHBondContact O-N 2.99Å
155	V	98.1	Very high	94.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129	178.8	179.8	0	0	0	0	109.8	L170 V180 P181 F182 A183 V201 I202 L203 V227	V155-L170 HydrophobicContact CG1-CD1 4.14Å; V155-V180 HydrophobicContact CG2-CG1 3.79Å; V155-P181 PolarHBondContact N-O 2.89Å; V155-F182 HydrophobicContact CB-CD1 3.6Å; V155-F182 HydrophobicContact CB-CE1 3.69Å; V155-F182 HydrophobicContact CB-CG 4.12Å; V155-F182 HydrophobicContact CB-CZ 4.26Å; V155-F182 HydrophobicContact CG1-CD1 3.6Å; V155-F182 HydrophobicContact CG1-CE1 3.61Å; V155-F182 HydrophobicContact CG2-CD1 4.31Å; V155-F182 HydrophobicContact CG2-CE1 3.92Å; V155-F182 HydrophobicContact CG2-CZ 4.07Å; V155-F182 CarbonylContact O-C 3.6Å; V155-F182 WeakPolarHBondContact O-CA 2.81Å; V155-A183 PolarHBondContact O-N 3.37Å; V155-V201 HydrophobicContact CG1-CG1 3.47Å; V155-V201 VanDerWaalsContact CG1-CG1 3.47Å; V155-I202 WeakPolarHBondContact CA-O 2.98Å; V155-L203 HydrophobicContact CG2-CB 4.27Å; V155-L203 HydrophobicContact CG2-CD1 4.17Å; V155-L203 HydrophobicContact CG2-CG 4.23Å; V155-V227 HydrophobicContact CG2-CG1 4.23Å; V155-V227 HydrophobicContact CG2-CG2 3.77Å
156	I	98.4	Very high	94.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122	176.3	-52.7	-176.9	0	0	0	109.8	L138 A144 L147 I148 F158 A183 T185 I202 F204	L138-I156 HydrophobicContact CD1-CD1 3.97Å; L138-I156 HydrophobicContact CD1-CG1 4.34Å; L138-I156 HydrophobicContact CD1-CG2 4.19Å; A144-I156 HydrophobicContact CB-CD1 4.31Å; L147-I156 HydrophobicContact CD2-CD1 4.33Å; L147-I156 HydrophobicContact CD2-CG1 4.17Å; I148-I156 HydrophobicContact CD1-CD1 3.95Å; I148-I156 HydrophobicContact CG1-CD1 4.13Å; I156-F158 HydrophobicContact CB-CE2 3.82Å; I156-F158 HydrophobicContact CB-CZ 4.33Å; I156-F158 HydrophobicContact CG2-CD2 4.13Å; I156-F158 HydrophobicContact CG2-CE2 3.61Å; I156-F158 HydrophobicContact CG2-CZ 3.87Å; I156-F158 WeakPolarHBondContact O-CD2 3.47Å; I156-A183 CarbonylContact C-O 3.23Å; I156-A183 VanDerWaalsContact CA-O 3.31Å; I156-A183 WeakPolarHBondContact CA-O 3.4Å; I156-T185 HydrophobicContact CG2-CG2 4.34Å; I156-I202 PolarHBondContact N-O 3.34Å; I156-I202 PolarHBondContact O-N 3.41Å; I156-F204 HydrophobicContact CB-CE2 4.05Å; I156-F204 HydrophobicContact CD1-CD2 4.06Å; I156-F204 HydrophobicContact CD1-CE2 3.74Å; I156-F204 HydrophobicContact CG1-CD2 4.08Å; I156-F204 HydrophobicContact CG1-CE2 3.93Å
157	G	98.2	Very high	94.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	131.1	165.6	0	0	0	0	0	111.7	A183 M184 T185	G157-A183 PolarHBondContact N-O 3.12Å; G157-M184 CarbonylContact O-C 3.55Å; G157-M184 WeakPolarHBondContact O-CA 3.36Å; G157-T185 PolarHBondContact O-N 2.98Å
158	F	98.2	Very high	94.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	101.7	174.3	-66.5	-101.3	0	0	0	106	I156 T185 I190 Y191 F194 V196 D199 G200 I202	I156-F158 HydrophobicContact CB-CE2 3.82Å; I156-F158 HydrophobicContact CB-CZ 4.33Å; I156-F158 HydrophobicContact CG2-CD2 4.13Å; I156-F158 HydrophobicContact CG2-CE2 3.61Å; I156-F158 HydrophobicContact CG2-CZ 3.87Å; I156-F158 WeakPolarHBondContact O-CD2 3.47Å; F158-T185 HydrophobicContact CD1-CG2 3.71Å; F158-T185 HydrophobicContact CE1-CG2 3.99Å; F158-T185 HydrophobicContact CG-CG2 4.26Å; F158-I190 HydrophobicContact CE1-CG2 3.96Å; F158-Y191 HydrophobicContact CB-CD2 4.43Å; F158-Y191 HydrophobicContact CB-CE1 4.02Å; F158-Y191 HydrophobicContact CB-CE2 3.81Å; F158-Y191 HydrophobicContact CD1-CD1 4.48Å; F158-Y191 AromaticContact CD1-CD2 3.7Å; F158-Y191 HydrophobicContact CD1-CD2 3.7Å; F158-Y191 AromaticContact CD1-CE2 3.9Å; F158-Y191 HydrophobicContact CD1-CE2 3.9Å; F158-Y191 HydrophobicContact CD1-CG 4.04Å; F158-Y191 HydrophobicContact CG-CE2 4.36Å; F158-Y191 PolarHBondContact O-OH 3.48Å; F158-F194 HydrophobicContact CE1-CB 4.2Å; F158-F194 HydrophobicContact CE1-CD2 4.21Å; F158-F194 HydrophobicContact CZ-CB 3.95Å; F158-F194 AromaticContact CZ-CD2 3.99Å; F158-F194 HydrophobicContact CZ-CD2 3.99Å; F158-F194 HydrophobicContact CZ-CG 4.22Å; F158-V196 HydrophobicContact CB-CG1 3.93Å; F158-V196 HydrophobicContact CD1-CB 3.94Å; F158-V196 HydrophobicContact CD1-CG1 4Å; F158-V196 HydrophobicContact CD1-CG2 3.8Å; F158-V196 HydrophobicContact CD2-CG1 4.46Å; F158-V196 HydrophobicContact CD2-CG2 4.22Å; F158-V196 HydrophobicContact CE1-CB 4.2Å; F158-V196 HydrophobicContact CE1-CG2 3.63Å; F158-V196 HydrophobicContact CE2-CG2 4.11Å; F158-V196 HydrophobicContact CG-CB 4.28Å; F158-V196 HydrophobicContact CG-CG1 3.88Å; F158-V196 HydrophobicContact CG-CG2 4.09Å; F158-V196 HydrophobicContact CZ-CG2 3.82Å; F158-D199 CarbonylContact O-C 3.52Å; F158-D199 WeakPolarHBondContact O-CA 3.44Å; F158-D199 WeakPolarHBondContact O-CB 3.31Å; F158-G200 PolarHBondContact N-O 2.71Å; F158-G200 PolarHBondContact O-N 2.9Å; F158-I202 HydrophobicContact CD2-CD1 4.1Å; F158-I202 HydrophobicContact CD2-CG1 4.37Å; F158-I202 HydrophobicContact CE2-CB 4.09Å; F158-I202 HydrophobicContact CE2-CD1 3.68Å; F158-I202 HydrophobicContact CE2-CG1 4.11Å; F158-I202 HydrophobicContact CZ-CD1 4.23Å
159	F	97.7	Very high	94.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	26%	0.258	C	S	.	.			trans	-133.9	123.9	-178.8	-60.4	-65.2	0	0	0	110.9	D161 D166 A167 L170 T185 S186 Y191 D199 V201 L218	F159-D161 VanDerWaalsContact C-N 3.28Å; F159-D166 HydrophobicContact CD1-CB 4.11Å; F159-D166 HydrophobicContact CE1-CB 3.55Å; F159-D166 HydrophobicContact CZ-CB 4.16Å; F159-A167 HydrophobicContact CB-CB 4.19Å; F159-A167 HydrophobicContact CD2-CB 3.78Å; F159-A167 HydrophobicContact CE2-CB 4.29Å; F159-A167 HydrophobicContact CG-CB 3.92Å; F159-L170 HydrophobicContact CE2-CB 4.07Å; F159-L170 HydrophobicContact CE2-CD2 3.82Å; F159-T185 PolarHBondContact N-O 3.48Å; F159-S186 VanDerWaalsContact O-CA 3.29Å; F159-S186 WeakPolarHBondContact O-CA 3.29Å; F159-S186 VanDerWaalsContact O-CB 3.23Å; F159-S186 WeakPolarHBondContact O-CB 3.38Å; F159-Y191 VanDerWaalsContact C-OH 3.26Å; F159-Y191 VanDerWaalsContact CA-OH 3.31Å; F159-Y191 WeakPolarHBondContact CA-OH 3.36Å; F159-Y191 PolarHBondContact N-OH 2.91Å; F159-D199 HydrophobicContact CD1-CB 4.03Å; F159-V201 HydrophobicContact CE2-CG2 4.22Å; F159-V201 HydrophobicContact CZ-CG2 3.74Å; F159-L218 HydrophobicContact CE1-CD1 3.78Å; F159-L218 HydrophobicContact CZ-CD1 4.01Å
160	K	96.1	Very high	94.8	Very high	92 Å²	92	42.7 Å²	42.7	40%	0.4	24%	0.235	S	C	.	.	S	Bend	trans	-69.3	-31.7	174.1	-68.2	-46.3	-170.1	-167.3	0	112.3	S186 D188 Y191 D199	K160-S186 PolarHBondContact NZ-O 2.88Å; K160-D188 WeakPolarHBondContact CE-OD1 3.48Å; K160-D188 IonicContact NZ-OD1 2.65Å; K160-D188 PolarHBondContact NZ-OD1 2.92Å; K160-Y191 HydrophobicContact CD-CE2 4.24Å; K160-Y191 PolarHBondContact N-OH 3Å; K160-D199 PolarHBondContact N-OD1 3.45Å; K160-D199 PolarHBondContact N-OD2 2.88Å
161	D	94.7	Very high	94.9	Very high	92 Å²	92	39.1 Å²	39.1	49%	0.492	21%	0.214	S	C	.	.			trans	-113.3	107.6	173.6	-177	5.2	0	0	0	110	F159 E163 S164	F159-D161 VanDerWaalsContact C-N 3.28Å; D161-E163 PolarHBondContact O-N 3.42Å; D161-E163 PolarHBondContact OD1-N 3.37Å; D161-S164 VanDerWaalsContact O-CB 3.23Å; D161-S164 WeakPolarHBondContact O-CB 3.09Å; D161-S164 PolarHBondContact O-N 2.68Å; D161-S164 VanDerWaalsContact O-N 3.14Å; D161-S164 PolarHBondContact O-OG 2.96Å
162	A	90.6	Very high	95	Very high	42 Å²	42	43 Å²	43	35%	0.347	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.8	178.3	0	0	0	0	0	113.1	A167 M184	A162-A167 VanDerWaalsContact O-CB 3.23Å; A162-A167 WeakPolarHBondContact O-CB 3.41Å; A162-M184 HydrophobicContact CB-SD 4.07Å
163	E	92.7	Very high	95.1	Very high	132 Å²	132	37.3 Å²	37.3	62%	0.617	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.8	4.6	176.3	-63.5	-59.4	128.1	0	0	112.7	D161 K168	D161-E163 PolarHBondContact O-N 3.42Å; D161-E163 PolarHBondContact OD1-N 3.37Å; E163-K168 IonicContact OE1-NZ 2.69Å; E163-K168 PolarHBondContact OE1-NZ 2.84Å; E163-K168 WeakPolarHBondContact OE2-CE 3.07Å; E163-K168 IonicContact OE2-NZ 3.32Å; E163-K168 PolarHBondContact OE2-NZ 3.48Å; E163-K168 VanDerWaalsContact OE2-NZ 3.14Å
164	S	95.3	Very high	94.9	Very high	25 Å²	25	36.9 Å²	36.9	18%	0.175	20%	0.2	C	C	.	.	S	Bend	trans	-61.7	154.8	174.8	65.5	0	0	0	0	112.1	D161 D166 A167 K168	D161-S164 VanDerWaalsContact O-CB 3.23Å; D161-S164 WeakPolarHBondContact O-CB 3.09Å; D161-S164 PolarHBondContact O-N 2.68Å; D161-S164 VanDerWaalsContact O-N 3.14Å; D161-S164 PolarHBondContact O-OG 2.96Å; S164-D166 PolarHBondContact O-N 2.78Å; S164-A167 PolarHBondContact O-N 3.44Å; S164-A167 WeakPolarHBondContact OG-CB 3.06Å; S164-A167 PolarHBondContact OG-N 3.18Å; S164-K168 WeakPolarHBondContact O-CG 3.4Å; S164-K168 PolarHBondContact O-N 3.3Å
165	A	95.2	Very high	94.4	Very high	83 Å²	83	42 Å²	42	69%	0.686	22%	0.224	S	C	*	.	H	α-helix	trans	-55.6	-36.2	176	0	0	0	0	0	112.1	K168 A169	A165-K168 PolarHBondContact O-N 2.84Å; A165-A169 PolarHBondContact O-N 3.31Å
166	D	95.9	Very high	93.7	Very high	66 Å²	66	44.6 Å²	44.6	35%	0.353	25%	0.245	S	C	.	.	H	α-helix	trans	-69.1	-43.1	179.2	-68.9	-8.2	0	0	0	112.2	F159 S164 A169 L170 L218	F159-D166 HydrophobicContact CD1-CB 4.11Å; F159-D166 HydrophobicContact CE1-CB 3.55Å; F159-D166 HydrophobicContact CZ-CB 4.16Å; S164-D166 PolarHBondContact O-N 2.78Å; D166-A169 WeakPolarHBondContact O-CB 3.38Å; D166-A169 PolarHBondContact O-N 2.9Å; D166-L170 PolarHBondContact O-N 3.45Å; D166-L170 VanDerWaalsContact O-N 3.11Å; D166-L218 HydrophobicContact CB-CB 4.13Å; D166-L218 HydrophobicContact CB-CD1 3.66Å
167	A	95.4	Very high	92.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-41.6	174.1	0	0	0	0	0	111.6	F159 A162 S164 A169 L170 E171	F159-A167 HydrophobicContact CB-CB 4.19Å; F159-A167 HydrophobicContact CD2-CB 3.78Å; F159-A167 HydrophobicContact CE2-CB 4.29Å; F159-A167 HydrophobicContact CG-CB 3.92Å; A162-A167 VanDerWaalsContact O-CB 3.23Å; A162-A167 WeakPolarHBondContact O-CB 3.41Å; S164-A167 PolarHBondContact O-N 3.44Å; S164-A167 WeakPolarHBondContact OG-CB 3.06Å; S164-A167 PolarHBondContact OG-N 3.18Å; A167-A169 VanDerWaalsContact C-N 3.31Å; A167-A169 PolarHBondContact O-N 3.13Å; A167-L170 WeakPolarHBondContact O-CB 3.16Å; A167-L170 PolarHBondContact O-N 2.93Å; A167-E171 PolarHBondContact O-N 3.39Å
168	K	94	Very high	91.9	Very high	57 Å²	57	47.7 Å²	47.7	25%	0.248	26%	0.262	C	S	.	.	H	α-helix	trans	-66	-30.2	174	-63.4	-51.3	-179.7	-159.8	0	113.2	E163 S164 A165 E171 K172	E163-K168 IonicContact OE1-NZ 2.69Å; E163-K168 PolarHBondContact OE1-NZ 2.84Å; E163-K168 WeakPolarHBondContact OE2-CE 3.07Å; E163-K168 IonicContact OE2-NZ 3.32Å; E163-K168 PolarHBondContact OE2-NZ 3.48Å; E163-K168 VanDerWaalsContact OE2-NZ 3.14Å; S164-K168 WeakPolarHBondContact O-CG 3.4Å; S164-K168 PolarHBondContact O-N 3.3Å; A165-K168 PolarHBondContact O-N 2.84Å; K168-E171 WeakPolarHBondContact CD-OE2 3.35Å; K168-E171 IonicContact NZ-OE1 3.92Å; K168-E171 PolarHBondContact NZ-OE1 3.34Å; K168-E171 VanDerWaalsContact NZ-OE1 3.09Å; K168-E171 IonicContact NZ-OE2 3.08Å; K168-E171 PolarHBondContact NZ-OE2 2.86Å; K168-E171 VanDerWaalsContact NZ-OE2 3.09Å; K168-K172 WeakPolarHBondContact O-CG 3.46Å; K168-K172 PolarHBondContact O-N 3.14Å; K168-K172 VanDerWaalsContact O-N 3.11Å
169	A	95.2	Very high	91	Very high	10 Å²	10	52.1 Å²	52.1	8%	0.083	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-38.8	172.5	0	0	0	0	0	111.7	A165 D166 A167 A173 L218 L223	A165-A169 PolarHBondContact O-N 3.31Å; D166-A169 WeakPolarHBondContact O-CB 3.38Å; D166-A169 PolarHBondContact O-N 2.9Å; A167-A169 VanDerWaalsContact C-N 3.31Å; A167-A169 PolarHBondContact O-N 3.13Å; A169-A173 PolarHBondContact O-N 3.23Å; A169-A173 VanDerWaalsContact O-N 3.08Å; A169-L218 WeakPolarHBondContact CB-O 3.48Å; A169-L223 HydrophobicContact CB-CD1 4.36Å
170	L	96.1	Very high	90.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-45.1	173.3	-173.4	70.6	0	0	0	111.9	V135 V155 F159 D166 A167 K172 A173 A174 F182 M184 V201 L223	V135-L170 HydrophobicContact CG1-CD2 4.24Å; V135-L170 HydrophobicContact CG2-CG 4.42Å; V155-L170 HydrophobicContact CG1-CD1 4.14Å; F159-L170 HydrophobicContact CE2-CB 4.07Å; F159-L170 HydrophobicContact CE2-CD2 3.82Å; D166-L170 PolarHBondContact O-N 3.45Å; D166-L170 VanDerWaalsContact O-N 3.11Å; A167-L170 WeakPolarHBondContact O-CB 3.16Å; A167-L170 PolarHBondContact O-N 2.93Å; L170-K172 VanDerWaalsContact C-N 3.34Å; L170-K172 PolarHBondContact O-N 3.42Å; L170-A173 PolarHBondContact O-N 3.38Å; L170-A173 VanDerWaalsContact O-N 3.15Å; L170-A174 WeakPolarHBondContact O-CB 3.36Å; L170-A174 PolarHBondContact O-N 2.86Å; L170-F182 HydrophobicContact CD1-CD1 3.65Å; L170-F182 HydrophobicContact CD1-CE1 3.93Å; L170-F182 HydrophobicContact CG-CD1 4.22Å; L170-M184 HydrophobicContact CD2-CB 4.5Å; L170-V201 HydrophobicContact CD1-CG1 4.02Å; L170-V201 HydrophobicContact CD1-CG2 3.99Å; L170-L223 HydrophobicContact CB-CD1 4.33Å; L170-L223 HydrophobicContact CD1-CD1 4.16Å
171	E	92.3	Very high	90.4	Very high	50 Å²	50	49.5 Å²	49.5	23%	0.234	28%	0.278	C	S	.	.	H	α-helix	trans	-54.6	-49.8	175.4	-72.8	174.7	-172.6	0	0	111.5	V135 A167 K168 A173 A174 E175 M184	V135-E171 HydrophobicContact CB-CG 4.41Å; V135-E171 HydrophobicContact CG2-CB 4.32Å; V135-E171 HydrophobicContact CG2-CG 3.94Å; A167-E171 PolarHBondContact O-N 3.39Å; K168-E171 WeakPolarHBondContact CD-OE2 3.35Å; K168-E171 IonicContact NZ-OE1 3.92Å; K168-E171 PolarHBondContact NZ-OE1 3.34Å; K168-E171 VanDerWaalsContact NZ-OE1 3.09Å; K168-E171 IonicContact NZ-OE2 3.08Å; K168-E171 PolarHBondContact NZ-OE2 2.86Å; K168-E171 VanDerWaalsContact NZ-OE2 3.09Å; E171-A173 VanDerWaalsContact C-N 3.29Å; E171-A173 PolarHBondContact O-N 2.89Å; E171-A174 WeakPolarHBondContact O-CB 3.49Å; E171-A174 PolarHBondContact O-N 2.91Å; E171-E175 WeakPolarHBondContact O-CG 3.42Å; E171-E175 PolarHBondContact O-N 2.86Å; E171-M184 HydrophobicContact CG-CE 3.69Å; E171-M184 WeakPolarHBondContact OE1-CE 3.49Å
172	K	89.8	Confident	90.4	Very high	118 Å²	118	45.6 Å²	45.6	51%	0.513	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-31.4	178.1	-71.9	175.9	-178.7	-179.5	0	113.9	K168 L170 K220	K168-K172 WeakPolarHBondContact O-CG 3.46Å; K168-K172 PolarHBondContact O-N 3.14Å; K168-K172 VanDerWaalsContact O-N 3.11Å; L170-K172 VanDerWaalsContact C-N 3.34Å; L170-K172 PolarHBondContact O-N 3.42Å; K172-K220 HydrophobicContact CB-CB 4.27Å; K172-K220 HydrophobicContact CB-CD 4.13Å; K172-K220 HydrophobicContact CB-CG 4.17Å; K172-K220 WeakPolarHBondContact O-CE 3.48Å
173	A	91.9	Very high	90.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-72	-43.9	174.9	0	0	0	0	0	110.6	A169 L170 E171 E175 A176 M177 L223 L224	A169-A173 PolarHBondContact O-N 3.23Å; A169-A173 VanDerWaalsContact O-N 3.08Å; L170-A173 PolarHBondContact O-N 3.38Å; L170-A173 VanDerWaalsContact O-N 3.15Å; E171-A173 VanDerWaalsContact C-N 3.29Å; E171-A173 PolarHBondContact O-N 2.89Å; A173-E175 VanDerWaalsContact C-N 3.33Å; A173-E175 PolarHBondContact O-N 3.08Å; A173-A176 PolarHBondContact O-N 3.4Å; A173-A176 VanDerWaalsContact O-N 3.16Å; A173-M177 PolarHBondContact O-N 3.01Å; A173-L223 HydrophobicContact CB-CB 3.83Å; A173-L223 HydrophobicContact CB-CD1 4.23Å; A173-L224 HydrophobicContact CB-CD2 4.38Å; A173-L224 HydrophobicContact CB-CG 4.28Å
174	A	91.3	Very high	90.9	Very high	5 Å²	5	37.9 Å²	37.9	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-36.6	177.3	0	0	0	0	0	112.7	A134 V135 L170 E171 A176 M177 F182	A134-A174 HydrophobicContact CB-CB 3.82Å; A134-A174 WeakPolarHBondContact O-CB 3.36Å; V135-A174 HydrophobicContact CG2-CB 3.55Å; L170-A174 WeakPolarHBondContact O-CB 3.36Å; L170-A174 PolarHBondContact O-N 2.86Å; E171-A174 WeakPolarHBondContact O-CB 3.49Å; E171-A174 PolarHBondContact O-N 2.91Å; A174-A176 PolarHBondContact O-N 3.09Å; A174-M177 PolarHBondContact O-N 3.31Å; A174-F182 HydrophobicContact CB-CB 3.53Å; A174-F182 HydrophobicContact CB-CD1 3.87Å; A174-F182 HydrophobicContact CB-CD2 3.66Å; A174-F182 HydrophobicContact CB-CE2 4.34Å; A174-F182 HydrophobicContact CB-CG 3.42Å; A174-F182 VanDerWaalsContact CB-CG 3.42Å
175	E	84.6	Confident	91.1	Very high	108 Å²	108	36.9 Å²	36.9	51%	0.505	21%	0.206	S	C	.	.	H	α-helix	trans	-61.4	-29.7	175.3	-75.1	171.7	171.8	0	0	113.3	A134 E171 A173	A134-E175 HydrophobicContact CB-CB 4.43Å; A134-E175 HydrophobicContact CB-CG 3.61Å; E171-E175 WeakPolarHBondContact O-CG 3.42Å; E171-E175 PolarHBondContact O-N 2.86Å; A173-E175 VanDerWaalsContact C-N 3.33Å; A173-E175 PolarHBondContact O-N 3.08Å
176	A	84.2	Confident	91.2	Very high	54 Å²	54	36.2 Å²	36.2	45%	0.446	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-1.6	-178.9	0	0	0	0	0	113.5	A173 A174 L224	A173-A176 PolarHBondContact O-N 3.4Å; A173-A176 VanDerWaalsContact O-N 3.16Å; A174-A176 PolarHBondContact O-N 3.09Å; A176-L224 HydrophobicContact CB-CD1 4.11Å; A176-L224 HydrophobicContact CB-CD2 4.2Å
177	M	81.6	Confident	91.3	Very high	14 Å²	14	34.3 Å²	34.3	7%	0.069	19%	0.188	C	C	.	.			trans	-136.5	112.2	-174	-173.4	174.4	-79.5	0	0	111.2	A173 A174 D179 V180 F182 L224 V227 K228	A173-M177 PolarHBondContact O-N 3.01Å; A174-M177 PolarHBondContact O-N 3.31Å; M177-D179 WeakPolarHBondContact CG-OD1 3.44Å; M177-V180 HydrophobicContact CG-CB 4.25Å; M177-V180 HydrophobicContact CG-CG2 4.45Å; M177-V180 HydrophobicContact SD-CB 3.84Å; M177-V180 HydrophobicContact SD-CG2 3.86Å; M177-F182 HydrophobicContact CB-CE2 4.01Å; M177-F182 HydrophobicContact CB-CZ 4.47Å; M177-F182 HydrophobicContact CG-CE2 4.09Å; M177-F182 HydrophobicContact SD-CE2 3.78Å; M177-F182 HydrophobicContact SD-CZ 3.82Å; M177-L224 HydrophobicContact CB-CD2 4.23Å; M177-L224 HydrophobicContact CE-CD2 3.88Å; M177-V227 HydrophobicContact CE-CB 4.02Å; M177-V227 HydrophobicContact CE-CG1 3.84Å; M177-V227 HydrophobicContact SD-CB 4.02Å; M177-V227 HydrophobicContact SD-CG1 3.35Å; M177-V227 WeakPolarHBondContact SD-CG1 3.33Å; M177-K228 HydrophobicContact CE-CG 4.12Å
178	D	77.8	Confident	91.3	Very high	52 Å²	52	39.7 Å²	39.7	28%	0.278	22%	0.217	S	C	.	.	S	Bend	trans	-98	-20	-175.1	-86	29	0	0	0	113.9	K112 R130	K112-D178 WeakPolarHBondContact CD-OD2 3.34Å; K112-D178 WeakPolarHBondContact CE-OD2 3.27Å; K112-D178 IonicContact NZ-OD1 2.61Å; K112-D178 PolarHBondContact NZ-OD1 3.41Å; K112-D178 IonicContact NZ-OD2 3.95Å; K112-D178 PolarHBondContact NZ-OD2 3.12Å; R130-D178 IonicContact NE-OD2 2.84Å
179	D	78.8	Confident	91.5	Very high	92 Å²	92	43 Å²	43	49%	0.492	23%	0.233	S	C	.	.	S	Bend	trans	-84.7	-16.3	-173.4	61.2	-37.6	0	0	0	113.2	M177	M177-D179 WeakPolarHBondContact CG-OD1 3.44Å
180	V	89.1	Confident	91.6	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.048	23%	0.229	C	C	.	.	S	Bend	trans	-119.4	126.8	177.3	-177.9	0	0	0	0	109.5	V153 V155 M177 F182 V227 Q231	V153-V180 HydrophobicContact CB-CG1 4.5Å; V153-V180 HydrophobicContact CG1-CG1 3.95Å; V153-V180 HydrophobicContact CG1-CG2 4.4Å; V155-V180 HydrophobicContact CG2-CG1 3.79Å; M177-V180 HydrophobicContact CG-CB 4.25Å; M177-V180 HydrophobicContact CG-CG2 4.45Å; M177-V180 HydrophobicContact SD-CB 3.84Å; M177-V180 HydrophobicContact SD-CG2 3.86Å; V180-F182 HydrophobicContact CB-CE2 4.07Å; V180-F182 HydrophobicContact CG1-CE2 4.19Å; V180-F182 WeakPolarHBondContact O-CD2 3.48Å; V180-F182 WeakPolarHBondContact O-CE2 3.33Å; V180-V227 HydrophobicContact CB-CG1 4.44Å; V180-V227 HydrophobicContact CG1-CG1 4.32Å; V180-V227 HydrophobicContact CG2-CG1 4.12Å; V180-Q231 HydrophobicContact CG2-CB 4.45Å; V180-Q231 VanDerWaalsContact CG2-OE1 3.29Å
181	P	92.1	Very high	91.7	Very high	32 Å²	32	43.1 Å²	43.1	21%	0.208	23%	0.232	C	C	.	.			trans	-74.4	135.5	174.1	32.3	-36.1	0	0	0	111.1	L147 N151 V153 A154 V155	L147-P181 HydrophobicContact CD1-CB 4.1Å; L147-P181 HydrophobicContact CD1-CG 4.36Å; N151-P181 HydrophobicContact CB-CG 3.86Å; V153-P181 VanDerWaalsContact O-CD 3.26Å; V153-P181 WeakPolarHBondContact O-CD 3.5Å; A154-P181 HydrophobicContact CB-CG 4.06Å; V155-P181 PolarHBondContact N-O 2.89Å
182	F	95.5	Very high	92	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.039	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	143.6	174.3	-71.2	-108	0	0	0	110.7	V135 A136 V155 L170 A174 M177 V180 V227	V135-F182 WeakPolarHBondContact CA-O 3.38Å; V135-F182 HydrophobicContact CG1-CB 4.48Å; V135-F182 HydrophobicContact CG2-CB 4.06Å; A136-F182 PolarHBondContact N-O 2.81Å; V155-F182 HydrophobicContact CB-CD1 3.6Å; V155-F182 HydrophobicContact CB-CE1 3.69Å; V155-F182 HydrophobicContact CB-CG 4.12Å; V155-F182 HydrophobicContact CB-CZ 4.26Å; V155-F182 HydrophobicContact CG1-CD1 3.6Å; V155-F182 HydrophobicContact CG1-CE1 3.61Å; V155-F182 HydrophobicContact CG2-CD1 4.31Å; V155-F182 HydrophobicContact CG2-CE1 3.92Å; V155-F182 HydrophobicContact CG2-CZ 4.07Å; V155-F182 CarbonylContact O-C 3.6Å; V155-F182 WeakPolarHBondContact O-CA 2.81Å; L170-F182 HydrophobicContact CD1-CD1 3.65Å; L170-F182 HydrophobicContact CD1-CE1 3.93Å; L170-F182 HydrophobicContact CG-CD1 4.22Å; A174-F182 HydrophobicContact CB-CB 3.53Å; A174-F182 HydrophobicContact CB-CD1 3.87Å; A174-F182 HydrophobicContact CB-CD2 3.66Å; A174-F182 HydrophobicContact CB-CE2 4.34Å; A174-F182 HydrophobicContact CB-CG 3.42Å; A174-F182 VanDerWaalsContact CB-CG 3.42Å; M177-F182 HydrophobicContact CB-CE2 4.01Å; M177-F182 HydrophobicContact CB-CZ 4.47Å; M177-F182 HydrophobicContact CG-CE2 4.09Å; M177-F182 HydrophobicContact SD-CE2 3.78Å; M177-F182 HydrophobicContact SD-CZ 3.82Å; V180-F182 HydrophobicContact CB-CE2 4.07Å; V180-F182 HydrophobicContact CG1-CE2 4.19Å; V180-F182 WeakPolarHBondContact O-CD2 3.48Å; V180-F182 WeakPolarHBondContact O-CE2 3.33Å; F182-V227 HydrophobicContact CE1-CG2 4.23Å; F182-V227 HydrophobicContact CZ-CG1 4.48Å; F182-V227 HydrophobicContact CZ-CG2 4.01Å
183	A	96.7	Very high	92.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	164	172.2	0	0	0	0	0	111.1	V135 A136 L138 L147 V155 I156 G157	V135-A183 VanDerWaalsContact CG1-CA 3.48Å; A136-A183 HydrophobicContact CB-CB 4.22Å; A136-A183 CarbonylContact O-C 3.59Å; A136-A183 WeakPolarHBondContact O-CA 3.04Å; A136-A183 WeakPolarHBondContact O-CB 3.43Å; L138-A183 HydrophobicContact CD1-CB 3.48Å; L138-A183 VanDerWaalsContact CD1-CB 3.48Å; L138-A183 HydrophobicContact CD2-CB 4.39Å; L138-A183 HydrophobicContact CG-CB 3.78Å; L147-A183 HydrophobicContact CD2-CB 3.37Å; V155-A183 PolarHBondContact O-N 3.37Å; I156-A183 CarbonylContact C-O 3.23Å; I156-A183 VanDerWaalsContact CA-O 3.31Å; I156-A183 WeakPolarHBondContact CA-O 3.4Å; G157-A183 PolarHBondContact N-O 3.12Å
184	M	97.1	Very high	92.5	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.059	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	154.4	173.9	67.3	171.4	75.1	0	0	111.4	V135 A136 L138 G157 A162 L170 E171	V135-M184 HydrophobicContact CB-CE 3.78Å; V135-M184 HydrophobicContact CG1-CB 3.66Å; V135-M184 HydrophobicContact CG1-CE 3.52Å; V135-M184 HydrophobicContact CG1-CG 3.7Å; V135-M184 HydrophobicContact CG1-SD 4.46Å; V135-M184 HydrophobicContact CG2-CE 4.29Å; A136-M184 PolarHBondContact O-N 3.27Å; L138-M184 PolarHBondContact N-O 2.91Å; G157-M184 CarbonylContact O-C 3.55Å; G157-M184 WeakPolarHBondContact O-CA 3.36Å; A162-M184 HydrophobicContact CB-SD 4.07Å; L170-M184 HydrophobicContact CD2-CB 4.5Å; E171-M184 HydrophobicContact CG-CE 3.69Å; E171-M184 WeakPolarHBondContact OE1-CE 3.49Å
185	T	98.1	Very high	92.8	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.025	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146.6	176.9	-169.4	0	0	0	0	112.2	L138 I156 G157 F158 F159 S187 I190 Y191	L138-T185 WeakPolarHBondContact O-CB 3.48Å; L138-T185 PolarHBondContact O-OG1 3.28Å; I156-T185 HydrophobicContact CG2-CG2 4.34Å; G157-T185 PolarHBondContact O-N 2.98Å; F158-T185 HydrophobicContact CD1-CG2 3.71Å; F158-T185 HydrophobicContact CE1-CG2 3.99Å; F158-T185 HydrophobicContact CG-CG2 4.26Å; F159-T185 PolarHBondContact N-O 3.48Å; T185-S187 WeakPolarHBondContact OG1-CB 3.41Å; T185-S187 PolarHBondContact OG1-N 2.94Å; T185-S187 VanDerWaalsContact OG1-N 3.1Å; T185-I190 HydrophobicContact CG2-CB 4.08Å; T185-I190 HydrophobicContact CG2-CG2 3.75Å; T185-I190 WeakPolarHBondContact OG1-CD1 3.44Å; T185-Y191 HydrophobicContact CG2-CD2 4.4Å; T185-Y191 HydrophobicContact CG2-CE2 4.3Å
186	S	97.3	Very high	93.3	Very high	69 Å²	69	49.3 Å²	49.3	48%	0.483	27%	0.271	S	S	.	.			trans	-109.6	-2.2	165.7	58.9	0	0	0	0	112.8	F159 K160 D188	F159-S186 VanDerWaalsContact O-CA 3.29Å; F159-S186 WeakPolarHBondContact O-CA 3.29Å; F159-S186 VanDerWaalsContact O-CB 3.23Å; F159-S186 WeakPolarHBondContact O-CB 3.38Å; K160-S186 PolarHBondContact NZ-O 2.88Å; S186-D188 PolarHBondContact O-N 2.9Å
187	S	97.8	Very high	93.7	Very high	26 Å²	26	52.6 Å²	52.6	18%	0.182	29%	0.291	C	S	.	.			trans	-70	122.3	-172.6	177.2	0	0	0	0	112.7	T139 T185 E189 I190 Y191	T139-S187 PolarHBondContact O-OG 3.33Å; T185-S187 WeakPolarHBondContact OG1-CB 3.41Å; T185-S187 PolarHBondContact OG1-N 2.94Å; T185-S187 VanDerWaalsContact OG1-N 3.1Å; S187-E189 PolarHBondContact O-N 2.99Å; S187-E189 PolarHBondContact OG-N 3.1Å; S187-I190 PolarHBondContact O-N 3.13Å; S187-I190 VanDerWaalsContact O-N 3.14Å; S187-Y191 WeakPolarHBondContact O-CD2 3.45Å; S187-Y191 PolarHBondContact O-N 3.19Å
188	D	97.1	Very high	94.3	Very high	113 Å²	113	59.3 Å²	59.3	60%	0.604	32%	0.32	S	S	*	.	H	α-helix	trans	-59.2	-30.5	176.6	-73.1	-33.7	0	0	0	113.1	K160 S186 S192	K160-D188 WeakPolarHBondContact CE-OD1 3.48Å; K160-D188 IonicContact NZ-OD1 2.65Å; K160-D188 PolarHBondContact NZ-OD1 2.92Å; S186-D188 PolarHBondContact O-N 2.9Å; D188-S192 WeakPolarHBondContact O-CB 3.4Å; D188-S192 PolarHBondContact O-N 3.24Å; D188-S192 PolarHBondContact O-OG 2.54Å
189	E	97.6	Very high	95.1	Very high	126 Å²	126	59.8 Å²	59.8	59%	0.589	32%	0.322	S	S	*	.	H	α-helix	trans	-68.4	-40.7	177.8	-62.2	-171.8	177.9	0	0	111.2	V141 S187 S192 K193	V141-E189 HydrophobicContact CG2-CB 3.99Å; S187-E189 PolarHBondContact O-N 2.99Å; S187-E189 PolarHBondContact OG-N 3.1Å; E189-S192 PolarHBondContact O-N 3.33Å; E189-K193 WeakPolarHBondContact O-CB 3.39Å; E189-K193 PolarHBondContact O-N 2.78Å
190	I	97.6	Very high	96	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-70.8	-40.9	177.3	-58.9	178.9	0	0	0	110.3	L138 E140 V141 A144 F158 T185 S187 S192 K193 F194	L138-I190 HydrophobicContact CB-CD1 3.96Å; E140-I190 WeakPolarHBondContact O-CD1 3.26Å; V141-I190 HydrophobicContact CG2-CG1 3.98Å; A144-I190 HydrophobicContact CB-CD1 4.38Å; A144-I190 HydrophobicContact CB-CG2 4.11Å; F158-I190 HydrophobicContact CE1-CG2 3.96Å; T185-I190 HydrophobicContact CG2-CB 4.08Å; T185-I190 HydrophobicContact CG2-CG2 3.75Å; T185-I190 WeakPolarHBondContact OG1-CD1 3.44Å; S187-I190 PolarHBondContact O-N 3.13Å; S187-I190 VanDerWaalsContact O-N 3.14Å; I190-S192 VanDerWaalsContact C-N 3.31Å; I190-S192 PolarHBondContact O-N 2.84Å; I190-K193 PolarHBondContact O-N 2.77Å; I190-F194 HydrophobicContact CG2-CD2 3.69Å; I190-F194 HydrophobicContact CG2-CE2 3.81Å; I190-F194 WeakPolarHBondContact O-CD2 3.36Å; I190-F194 PolarHBondContact O-N 3Å; I190-F194 VanDerWaalsContact O-N 3.14Å
191	Y	98.1	Very high	96.5	Very high	13 Å²	13	55.7 Å²	55.7	5%	0.051	30%	0.303	C	S	.	.	H	α-helix	trans	-54.9	-49.1	171	-87	-117.7	0	0	0	111.1	F158 F159 K160 T185 S187 F194 E195 V196 D199	F158-Y191 HydrophobicContact CB-CD2 4.43Å; F158-Y191 HydrophobicContact CB-CE1 4.02Å; F158-Y191 HydrophobicContact CB-CE2 3.81Å; F158-Y191 HydrophobicContact CD1-CD1 4.48Å; F158-Y191 AromaticContact CD1-CD2 3.7Å; F158-Y191 HydrophobicContact CD1-CD2 3.7Å; F158-Y191 AromaticContact CD1-CE2 3.9Å; F158-Y191 HydrophobicContact CD1-CE2 3.9Å; F158-Y191 HydrophobicContact CD1-CG 4.04Å; F158-Y191 HydrophobicContact CG-CE2 4.36Å; F158-Y191 PolarHBondContact O-OH 3.48Å; F159-Y191 VanDerWaalsContact C-OH 3.26Å; F159-Y191 VanDerWaalsContact CA-OH 3.31Å; F159-Y191 WeakPolarHBondContact CA-OH 3.36Å; F159-Y191 PolarHBondContact N-OH 2.91Å; K160-Y191 HydrophobicContact CD-CE2 4.24Å; K160-Y191 PolarHBondContact N-OH 3Å; T185-Y191 HydrophobicContact CG2-CD2 4.4Å; T185-Y191 HydrophobicContact CG2-CE2 4.3Å; S187-Y191 WeakPolarHBondContact O-CD2 3.45Å; S187-Y191 PolarHBondContact O-N 3.19Å; Y191-F194 PolarHBondContact O-N 3.32Å; Y191-E195 PolarHBondContact O-N 3.09Å; Y191-E195 VanDerWaalsContact O-N 3.08Å; Y191-V196 HydrophobicContact CD1-CB 4.11Å; Y191-V196 HydrophobicContact CD1-CG1 3.96Å; Y191-V196 WeakPolarHBondContact CD1-O 3.4Å; Y191-V196 HydrophobicContact CE1-CG1 4.18Å; Y191-V196 HydrophobicContact CG-CB 4.43Å; Y191-V196 PolarHBondContact O-N 2.96Å; Y191-D199 PolarHBondContact OH-OD1 3.12Å
192	S	97.3	Very high	96.8	Very high	92 Å²	92	54.3 Å²	54.3	64%	0.643	30%	0.295	S	S	*	.	H	α-helix	trans	-64.4	-43.7	-179.6	-60.6	0	0	0	0	111.9	D188 E189 I190 F194 E195	D188-S192 WeakPolarHBondContact O-CB 3.4Å; D188-S192 PolarHBondContact O-N 3.24Å; D188-S192 PolarHBondContact O-OG 2.54Å; E189-S192 PolarHBondContact O-N 3.33Å; I190-S192 VanDerWaalsContact C-N 3.31Å; I190-S192 PolarHBondContact O-N 2.84Å; S192-F194 VanDerWaalsContact C-N 3.3Å; S192-F194 PolarHBondContact O-N 3.32Å; S192-E195 PolarHBondContact O-N 3.15Å
193	K	97.4	Very high	96.9	Very high	105 Å²	105	53.9 Å²	53.9	46%	0.457	29%	0.293	S	S	.	.	H	α-helix	trans	-57.6	-41.9	179.3	174.6	69.6	-166.7	-154.2	0	112.5	V141 E145 E189 I190	V141-K193 HydrophobicContact CG1-CB 4.24Å; V141-K193 HydrophobicContact CG1-CD 3.94Å; V141-K193 HydrophobicContact CG1-CG 3.77Å; V141-K193 HydrophobicContact CG2-CB 4.26Å; E145-K193 WeakPolarHBondContact OE1-CE 3.47Å; E145-K193 IonicContact OE1-NZ 2.81Å; E145-K193 PolarHBondContact OE1-NZ 3.1Å; E189-K193 WeakPolarHBondContact O-CB 3.39Å; E189-K193 PolarHBondContact O-N 2.78Å; I190-K193 PolarHBondContact O-N 2.77Å
194	F	96.1	Very high	97	Very high	24 Å²	24	54.6 Å²	54.6	11%	0.105	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	14	-177.8	-64	-69.6	0	0	0	113.1	A144 E145 I148 F158 I190 Y191 S192 V196 F204 R211	A144-F194 HydrophobicContact CB-CE2 3.7Å; A144-F194 HydrophobicContact CB-CZ 4.14Å; E145-F194 HydrophobicContact CG-CZ 4.47Å; I148-F194 HydrophobicContact CD1-CD1 4.48Å; I148-F194 HydrophobicContact CD1-CE1 3.49Å; I148-F194 VanDerWaalsContact CD1-CE1 3.49Å; I148-F194 HydrophobicContact CD1-CE2 4.42Å; I148-F194 HydrophobicContact CD1-CZ 3.46Å; I148-F194 VanDerWaalsContact CD1-CZ 3.46Å; F158-F194 HydrophobicContact CE1-CB 4.2Å; F158-F194 HydrophobicContact CE1-CD2 4.21Å; F158-F194 HydrophobicContact CZ-CB 3.95Å; F158-F194 AromaticContact CZ-CD2 3.99Å; F158-F194 HydrophobicContact CZ-CD2 3.99Å; F158-F194 HydrophobicContact CZ-CG 4.22Å; I190-F194 HydrophobicContact CG2-CD2 3.69Å; I190-F194 HydrophobicContact CG2-CE2 3.81Å; I190-F194 WeakPolarHBondContact O-CD2 3.36Å; I190-F194 PolarHBondContact O-N 3Å; I190-F194 VanDerWaalsContact O-N 3.14Å; Y191-F194 PolarHBondContact O-N 3.32Å; S192-F194 VanDerWaalsContact C-N 3.3Å; S192-F194 PolarHBondContact O-N 3.32Å; F194-V196 VanDerWaalsContact C-N 3.29Å; F194-V196 HydrophobicContact CB-CG2 4.04Å; F194-V196 WeakPolarHBondContact O-CG2 3.41Å; F194-V196 PolarHBondContact O-N 3.43Å; F194-F204 HydrophobicContact CB-CZ 4.28Å; F194-F204 AromaticContact CD1-CE1 3.58Å; F194-F204 HydrophobicContact CD1-CE1 3.58Å; F194-F204 AromaticContact CD1-CZ 3.56Å; F194-F204 HydrophobicContact CD1-CZ 3.56Å; F194-F204 AromaticContact CE1-CE1 3.9Å; F194-F204 HydrophobicContact CE1-CE1 3.9Å; F194-F204 AromaticContact CE1-CZ 3.99Å; F194-F204 HydrophobicContact CE1-CZ 3.99Å; F194-F204 HydrophobicContact CG-CE1 4.34Å; F194-F204 AromaticContact CG-CZ 3.88Å; F194-F204 HydrophobicContact CG-CZ 3.88Å; F194-R211 PolarHBondContact O-NH1 2.8Å; F194-R211 PolarHBondContact O-NH2 2.78Å
195	E	96.4	Very high	96.9	Very high	169 Å²	169	54.6 Å²	54.6	79%	0.79	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	41.9	176.2	-54	-179.8	150	0	0	112.9	Y191 S192	Y191-E195 PolarHBondContact O-N 3.09Å; Y191-E195 VanDerWaalsContact O-N 3.08Å; S192-E195 PolarHBondContact O-N 3.15Å
196	V	96.1	Very high	96.7	Very high	22 Å²	22	60.4 Å²	60.4	13%	0.133	32%	0.32	C	S	.	.			trans	-100.1	122.4	179.7	-174	0	0	0	0	109.5	F158 Y191 F194 K198 I202	F158-V196 HydrophobicContact CB-CG1 3.93Å; F158-V196 HydrophobicContact CD1-CB 3.94Å; F158-V196 HydrophobicContact CD1-CG1 4Å; F158-V196 HydrophobicContact CD1-CG2 3.8Å; F158-V196 HydrophobicContact CD2-CG1 4.46Å; F158-V196 HydrophobicContact CD2-CG2 4.22Å; F158-V196 HydrophobicContact CE1-CB 4.2Å; F158-V196 HydrophobicContact CE1-CG2 3.63Å; F158-V196 HydrophobicContact CE2-CG2 4.11Å; F158-V196 HydrophobicContact CG-CB 4.28Å; F158-V196 HydrophobicContact CG-CG1 3.88Å; F158-V196 HydrophobicContact CG-CG2 4.09Å; F158-V196 HydrophobicContact CZ-CG2 3.82Å; Y191-V196 HydrophobicContact CD1-CB 4.11Å; Y191-V196 HydrophobicContact CD1-CG1 3.96Å; Y191-V196 WeakPolarHBondContact CD1-O 3.4Å; Y191-V196 HydrophobicContact CE1-CG1 4.18Å; Y191-V196 HydrophobicContact CG-CB 4.43Å; Y191-V196 PolarHBondContact O-N 2.96Å; F194-V196 VanDerWaalsContact C-N 3.29Å; F194-V196 HydrophobicContact CB-CG2 4.04Å; F194-V196 WeakPolarHBondContact O-CG2 3.41Å; F194-V196 PolarHBondContact O-N 3.43Å; V196-K198 WeakPolarHBondContact CG1-O 3.49Å; V196-I202 HydrophobicContact CG2-CD1 3.37Å
197	S	91.9	Very high	96.3	Very high	123 Å²	123	58.6 Å²	58.6	86%	0.86	30%	0.304	S	S	*	.			trans	-103.9	-14.3	-175.1	58	0	0	0	0	114.7
198	K	93.6	Very high	95.9	Very high	155 Å²	155	59.6 Å²	59.6	67%	0.674	31%	0.307	S	S	*	.	S	Bend	trans	-149	165.3	-179.5	62.5	173	-176.1	170.6	0	110	V196	V196-K198 WeakPolarHBondContact CG1-O 3.49Å
199	D	96.6	Very high	95.7	Very high	61 Å²	61	58.7 Å²	58.7	33%	0.326	30%	0.299	S	S	.	.	S	Bend	trans	-60.1	144.4	176.9	-71.5	8.9	0	0	0	111.6	F158 F159 K160 Y191	F158-D199 CarbonylContact O-C 3.52Å; F158-D199 WeakPolarHBondContact O-CA 3.44Å; F158-D199 WeakPolarHBondContact O-CB 3.31Å; F159-D199 HydrophobicContact CD1-CB 4.03Å; K160-D199 PolarHBondContact N-OD1 3.45Å; K160-D199 PolarHBondContact N-OD2 2.88Å; Y191-D199 PolarHBondContact OH-OD1 3.12Å
200	G	97.1	Very high	95.6	Very high	14 Å²	14	53.9 Å²	53.9	14%	0.144	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-177.5	-174	0	0	0	0	0	113.3	F158	F158-G200 PolarHBondContact N-O 2.71Å; F158-G200 PolarHBondContact O-N 2.9Å
201	V	98.4	Very high	95.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.2	-177.4	177.7	0	0	0	0	109.6	V155 F159 L170 F214 L218 L223	V155-V201 HydrophobicContact CG1-CG1 3.47Å; V155-V201 VanDerWaalsContact CG1-CG1 3.47Å; F159-V201 HydrophobicContact CE2-CG2 4.22Å; F159-V201 HydrophobicContact CZ-CG2 3.74Å; L170-V201 HydrophobicContact CD1-CG1 4.02Å; L170-V201 HydrophobicContact CD1-CG2 3.99Å; V201-F214 HydrophobicContact CB-CB 4.01Å; V201-F214 WeakPolarHBondContact O-CB 3.49Å; V201-F214 PolarHBondContact O-N 3.45Å; V201-L218 HydrophobicContact CB-CD2 4.31Å; V201-L218 HydrophobicContact CG2-CD2 3.62Å; V201-L223 HydrophobicContact CB-CD2 4.07Å; V201-L223 HydrophobicContact CG1-CD2 4.03Å; V201-L223 HydrophobicContact CG2-CD2 3.97Å
202	I	98.4	Very high	95.4	Very high	4 Å²	4	58 Å²	58	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.9	177	-61.9	169.9	0	0	0	109	V155 I156 F158 V196 F204 R211 N212 T213	V155-I202 WeakPolarHBondContact CA-O 2.98Å; I156-I202 PolarHBondContact N-O 3.34Å; I156-I202 PolarHBondContact O-N 3.41Å; F158-I202 HydrophobicContact CD2-CD1 4.1Å; F158-I202 HydrophobicContact CD2-CG1 4.37Å; F158-I202 HydrophobicContact CE2-CB 4.09Å; F158-I202 HydrophobicContact CE2-CD1 3.68Å; F158-I202 HydrophobicContact CE2-CG1 4.11Å; F158-I202 HydrophobicContact CZ-CD1 4.23Å; V196-I202 HydrophobicContact CG2-CD1 3.37Å; I202-F204 HydrophobicContact CB-CE2 3.95Å; I202-F204 HydrophobicContact CB-CZ 4.2Å; I202-F204 HydrophobicContact CG2-CD1 4.39Å; I202-F204 HydrophobicContact CG2-CD2 4.02Å; I202-F204 HydrophobicContact CG2-CE1 3.99Å; I202-F204 HydrophobicContact CG2-CE2 3.56Å; I202-F204 HydrophobicContact CG2-CG 4.41Å; I202-F204 HydrophobicContact CG2-CZ 3.56Å; I202-R211 HydrophobicContact CG2-CG 3.69Å; I202-N212 WeakPolarHBondContact CA-O 3.24Å; I202-T213 HydrophobicContact CG1-CG2 4.23Å
203	L	98.3	Very high	95.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.9	166.8	-179.7	153.4	0	0	0	108.7	V153 A154 V155 K205 R211 N212 F226 V227 N230	V153-L203 HydrophobicContact CG1-CD1 3.84Å; V153-L203 HydrophobicContact CG1-CD2 3.92Å; V153-L203 HydrophobicContact CG1-CG 3.77Å; A154-L203 CarbonylContact O-C 3.57Å; A154-L203 WeakPolarHBondContact O-CA 3.33Å; V155-L203 HydrophobicContact CG2-CB 4.27Å; V155-L203 HydrophobicContact CG2-CD1 4.17Å; V155-L203 HydrophobicContact CG2-CG 4.23Å; L203-K205 HydrophobicContact CD2-CB 4.05Å; L203-K205 HydrophobicContact CD2-CD 3.78Å; L203-K205 HydrophobicContact CD2-CG 4.17Å; L203-R211 CarbonylContact O-C 3.42Å; L203-R211 WeakPolarHBondContact O-CA 3.39Å; L203-N212 HydrophobicContact CB-CB 4.45Å; L203-N212 PolarHBondContact N-O 2.93Å; L203-N212 PolarHBondContact O-N 3.34Å; L203-F226 HydrophobicContact CB-CE1 3.77Å; L203-F226 HydrophobicContact CB-CZ 3.96Å; L203-V227 HydrophobicContact CD1-CB 4.32Å; L203-V227 HydrophobicContact CD1-CG1 3.95Å; L203-V227 HydrophobicContact CD1-CG2 4.33Å; L203-N230 HydrophobicContact CD1-CB 4.06Å; L203-N230 HydrophobicContact CD2-CB 4.3Å
204	F	97.9	Very high	95.3	Very high	14 Å²	14	53.9 Å²	53.9	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143.4	172.3	-62.7	-86.9	0	0	0	109.2	I148 V153 A154 I156 F194 I202 G210 R211	I148-F204 HydrophobicContact CB-CB 4.5Å; I148-F204 HydrophobicContact CD1-CB 4.23Å; I148-F204 HydrophobicContact CD1-CD1 3.75Å; I148-F204 HydrophobicContact CD1-CD2 3.7Å; I148-F204 HydrophobicContact CD1-CE1 3.95Å; I148-F204 HydrophobicContact CD1-CE2 3.91Å; I148-F204 HydrophobicContact CD1-CG 3.61Å; I148-F204 HydrophobicContact CD1-CZ 4.02Å; I148-F204 HydrophobicContact CG1-CB 3.92Å; I148-F204 HydrophobicContact CG1-CD1 4.38Å; I148-F204 HydrophobicContact CG1-CD2 3.92Å; I148-F204 HydrophobicContact CG1-CG 3.81Å; I148-F204 HydrophobicContact CG2-CB 3.86Å; I148-F204 HydrophobicContact CG2-CG 4.33Å; V153-F204 CarbonylContact C-O 3.49Å; V153-F204 VanDerWaalsContact CA-O 3.27Å; V153-F204 WeakPolarHBondContact CA-O 3.26Å; A154-F204 PolarHBondContact N-O 2.75Å; A154-F204 PolarHBondContact O-N 2.99Å; I156-F204 HydrophobicContact CB-CE2 4.05Å; I156-F204 HydrophobicContact CD1-CD2 4.06Å; I156-F204 HydrophobicContact CD1-CE2 3.74Å; I156-F204 HydrophobicContact CG1-CD2 4.08Å; I156-F204 HydrophobicContact CG1-CE2 3.93Å; F194-F204 HydrophobicContact CB-CZ 4.28Å; F194-F204 AromaticContact CD1-CE1 3.58Å; F194-F204 HydrophobicContact CD1-CE1 3.58Å; F194-F204 AromaticContact CD1-CZ 3.56Å; F194-F204 HydrophobicContact CD1-CZ 3.56Å; F194-F204 AromaticContact CE1-CE1 3.9Å; F194-F204 HydrophobicContact CE1-CE1 3.9Å; F194-F204 AromaticContact CE1-CZ 3.99Å; F194-F204 HydrophobicContact CE1-CZ 3.99Å; F194-F204 HydrophobicContact CG-CE1 4.34Å; F194-F204 AromaticContact CG-CZ 3.88Å; F194-F204 HydrophobicContact CG-CZ 3.88Å; I202-F204 HydrophobicContact CB-CE2 3.95Å; I202-F204 HydrophobicContact CB-CZ 4.2Å; I202-F204 HydrophobicContact CG2-CD1 4.39Å; I202-F204 HydrophobicContact CG2-CD2 4.02Å; I202-F204 HydrophobicContact CG2-CE1 3.99Å; I202-F204 HydrophobicContact CG2-CE2 3.56Å; I202-F204 HydrophobicContact CG2-CG 4.41Å; I202-F204 HydrophobicContact CG2-CZ 3.56Å; F204-G210 WeakPolarHBondContact CA-O 3.22Å; F204-R211 HydrophobicContact CE1-CG 4.48Å
205	K	95.4	Very high	95.2	Very high	13 Å²	13	60 Å²	60	6%	0.057	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	155.7	-178.6	61	-165.6	-162.8	-176.1	0	111.2	E152 V153 L203 F207 E209 G210 N212 N230	E152-K205 CarbonylContact O-C 3.53Å; E152-K205 VanDerWaalsContact O-CA 3.25Å; E152-K205 WeakPolarHBondContact O-CA 3.37Å; V153-K205 HydrophobicContact CG2-CB 4.13Å; L203-K205 HydrophobicContact CD2-CB 4.05Å; L203-K205 HydrophobicContact CD2-CD 3.78Å; L203-K205 HydrophobicContact CD2-CG 4.17Å; K205-F207 VanDerWaalsContact C-N 3.32Å; K205-F207 HydrophobicContact CB-CD2 4.36Å; K205-F207 HydrophobicContact CB-CE1 4.25Å; K205-F207 HydrophobicContact CB-CE2 4.05Å; K205-F207 HydrophobicContact CB-CZ 3.97Å; K205-F207 HydrophobicContact CD-CD2 3.91Å; K205-F207 HydrophobicContact CD-CE2 3.53Å; K205-F207 HydrophobicContact CD-CZ 4.2Å; K205-F207 WeakPolarHBondContact CE-O 3.37Å; K205-F207 HydrophobicContact CG-CD2 4.16Å; K205-F207 HydrophobicContact CG-CE2 4.07Å; K205-F207 HydrophobicContact CG-CZ 4.49Å; K205-F207 WeakPolarHBondContact CG-O 3.48Å; K205-E209 VanDerWaalsContact CE-CD 3.42Å; K205-E209 WeakPolarHBondContact CE-OE2 3.31Å; K205-E209 IonicContact NZ-OE1 3.09Å; K205-E209 PolarHBondContact NZ-OE1 2.88Å; K205-E209 IonicContact NZ-OE2 3.06Å; K205-E209 PolarHBondContact NZ-OE2 2.92Å; K205-G210 PolarHBondContact N-O 2.78Å; K205-G210 CarbonylContact O-C 3.56Å; K205-G210 WeakPolarHBondContact O-CA 3.43Å; K205-N212 VanDerWaalsContact CE-OD1 3.28Å; K205-N212 WeakPolarHBondContact CE-OD1 3.47Å; K205-N212 PolarHBondContact NZ-OD1 2.94Å; K205-N230 WeakPolarHBondContact CD-O 3.27Å
206	K	93.9	Very high	94.9	Very high	125 Å²	125	54.4 Å²	54.4	54%	0.543	30%	0.3	S	S	.	.	S	Bend	trans	-87.9	2	-177.9	-69	-177.5	178.5	161.6	0	114.6	A149 N151 E152	A149-K206 WeakPolarHBondContact O-CE 3.36Å; A149-K206 PolarHBondContact O-NZ 2.89Å; N151-K206 WeakPolarHBondContact O-CE 3.48Å; N151-K206 PolarHBondContact O-NZ 3.19Å; E152-K206 PolarHBondContact O-N 3.43Å
207	F	89.8	Confident	94.8	Very high	32 Å²	32	59.3 Å²	59.3	14%	0.14	32%	0.321	C	S	.	.	S	Bend	trans	-127.3	165.6	-176	48	-102.9	0	0	0	111.4	E152 V153 K205 E209 G210 Q231 L232 P233	E152-F207 HydrophobicContact CG-CD1 4.18Å; E152-F207 HydrophobicContact CG-CE1 3.93Å; V153-F207 HydrophobicContact CG2-CE1 3.93Å; V153-F207 HydrophobicContact CG2-CZ 3.78Å; K205-F207 VanDerWaalsContact C-N 3.32Å; K205-F207 HydrophobicContact CB-CD2 4.36Å; K205-F207 HydrophobicContact CB-CE1 4.25Å; K205-F207 HydrophobicContact CB-CE2 4.05Å; K205-F207 HydrophobicContact CB-CZ 3.97Å; K205-F207 HydrophobicContact CD-CD2 3.91Å; K205-F207 HydrophobicContact CD-CE2 3.53Å; K205-F207 HydrophobicContact CD-CZ 4.2Å; K205-F207 WeakPolarHBondContact CE-O 3.37Å; K205-F207 HydrophobicContact CG-CD2 4.16Å; K205-F207 HydrophobicContact CG-CE2 4.07Å; K205-F207 HydrophobicContact CG-CZ 4.49Å; K205-F207 WeakPolarHBondContact CG-O 3.48Å; F207-E209 PolarHBondContact O-N 3.23Å; F207-G210 PolarHBondContact O-N 3.34Å; F207-Q231 WeakPolarHBondContact CZ-O 3.13Å; F207-L232 VanDerWaalsContact CE2-C 3.46Å; F207-L232 WeakPolarHBondContact CE2-O 3.47Å; F207-P233 HydrophobicContact CB-CB 4.29Å; F207-P233 HydrophobicContact CD1-CB 4.24Å; F207-P233 VanDerWaalsContact CD2-CA 3.48Å; F207-P233 HydrophobicContact CD2-CB 3.65Å; F207-P233 VanDerWaalsContact CE2-CA 3.4Å; F207-P233 HydrophobicContact CE2-CB 3.94Å; F207-P233 VanDerWaalsContact CE2-N 3.32Å; F207-P233 HydrophobicContact CG-CB 3.81Å; F207-P233 HydrophobicContact CZ-CB 4.37Å
208	D	89.7	Confident	94.9	Very high	46 Å²	46	54.6 Å²	54.6	25%	0.246	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	53	-126.7	176.7	-53.4	-32.6	0	0	0	113.2	G210 P233 L234 K274	D208-G210 PolarHBondContact O-N 3.01Å; D208-P233 WeakPolarHBondContact OD2-CA 3.2Å; D208-L234 HydrophobicContact CB-CD1 4.37Å; D208-L234 PolarHBondContact OD2-N 3.34Å; D208-K274 WeakPolarHBondContact OD1-CE 3.34Å; D208-K274 IonicContact OD1-NZ 2.9Å; D208-K274 PolarHBondContact OD1-NZ 3.42Å
209	E	91.9	Very high	95	Very high	95 Å²	95	48.8 Å²	48.8	44%	0.444	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-8.5	-180	69.3	-86.8	-146.3	0	0	113.8	K205 F207 R211 N212	K205-E209 VanDerWaalsContact CE-CD 3.42Å; K205-E209 WeakPolarHBondContact CE-OE2 3.31Å; K205-E209 IonicContact NZ-OE1 3.09Å; K205-E209 PolarHBondContact NZ-OE1 2.88Å; K205-E209 IonicContact NZ-OE2 3.06Å; K205-E209 PolarHBondContact NZ-OE2 2.92Å; F207-E209 PolarHBondContact O-N 3.23Å; E209-R211 VanDerWaalsContact CG-O 3.3Å; E209-R211 WeakPolarHBondContact CG-O 3.22Å; E209-R211 PolarHBondContact O-N 3.28Å; E209-N212 PolarHBondContact OE1-ND2 2.83Å; E209-N212 PolarHBondContact OE1-OD1 2.84Å
210	G	94.9	Very high	94.9	Very high	24 Å²	24	49.6 Å²	49.6	25%	0.247	27%	0.265	C	S	.	.	S	Bend	trans	69.1	-15	176.4	0	0	0	0	0	116.3	F204 K205 F207 D208	F204-G210 WeakPolarHBondContact CA-O 3.22Å; K205-G210 PolarHBondContact N-O 2.78Å; K205-G210 CarbonylContact O-C 3.56Å; K205-G210 WeakPolarHBondContact O-CA 3.43Å; F207-G210 PolarHBondContact O-N 3.34Å; D208-G210 PolarHBondContact O-N 3.01Å
211	R	95.9	Very high	94.6	Very high	77 Å²	77	55 Å²	55	29%	0.291	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	133.1	-176.3	179.2	-177.1	175.7	165.5	3.2	111.5	F194 I202 L203 F204 E209	F194-R211 PolarHBondContact O-NH1 2.8Å; F194-R211 PolarHBondContact O-NH2 2.78Å; I202-R211 HydrophobicContact CG2-CG 3.69Å; L203-R211 CarbonylContact O-C 3.42Å; L203-R211 WeakPolarHBondContact O-CA 3.39Å; F204-R211 HydrophobicContact CE1-CG 4.48Å; E209-R211 VanDerWaalsContact CG-O 3.3Å; E209-R211 WeakPolarHBondContact CG-O 3.22Å; E209-R211 PolarHBondContact O-N 3.28Å
212	N	96.4	Very high	94.4	Very high	24 Å²	24	59.6 Å²	59.6	13%	0.128	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.1	167.8	-65	100	0	0	0	109.5	I202 L203 K205 E209 F226 N230	I202-N212 WeakPolarHBondContact CA-O 3.24Å; L203-N212 HydrophobicContact CB-CB 4.45Å; L203-N212 PolarHBondContact N-O 2.93Å; L203-N212 PolarHBondContact O-N 3.34Å; K205-N212 VanDerWaalsContact CE-OD1 3.28Å; K205-N212 WeakPolarHBondContact CE-OD1 3.47Å; K205-N212 PolarHBondContact NZ-OD1 2.94Å; E209-N212 PolarHBondContact OE1-ND2 2.83Å; E209-N212 PolarHBondContact OE1-OD1 2.84Å; N212-F226 HydrophobicContact CB-CE2 3.93Å; N212-F226 HydrophobicContact CB-CZ 3.78Å; N212-F226 WeakPolarHBondContact O-CZ 3.35Å; N212-N230 HydrophobicContact CB-CB 4.34Å; N212-N230 PolarHBondContact ND2-OD1 2.91Å
213	T	97.1	Very high	94.3	Very high	84 Å²	84	59.4 Å²	59.4	52%	0.515	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.1	173.4	-56.3	0	0	0	0	108.6	I202 D215	I202-T213 HydrophobicContact CG1-CG2 4.23Å; T213-D215 PolarHBondContact O-N 3.36Å
214	F	96.6	Very high	94	Very high	25 Å²	25	61 Å²	61	11%	0.11	31%	0.314	C	S	.	.			trans	-66.3	131.5	174	-178.1	-97.8	0	0	0	110.1	V201 G216 E217 L218 K222 L223 F226	V201-F214 HydrophobicContact CB-CB 4.01Å; V201-F214 WeakPolarHBondContact O-CB 3.49Å; V201-F214 PolarHBondContact O-N 3.45Å; F214-G216 WeakPolarHBondContact CE1-O 3.36Å; F214-E217 WeakPolarHBondContact CZ-O 3.5Å; F214-L218 HydrophobicContact CD1-CD2 3.46Å; F214-L218 VanDerWaalsContact CD1-CD2 3.46Å; F214-L218 HydrophobicContact CD1-CG 4.1Å; F214-L218 HydrophobicContact CE1-CD2 3.5Å; F214-L218 HydrophobicContact CE1-CG 3.88Å; F214-L218 HydrophobicContact CG-CD2 4.27Å; F214-L218 HydrophobicContact CZ-CD2 4.34Å; F214-K222 HydrophobicContact CE2-CB 4.16Å; F214-K222 HydrophobicContact CZ-CB 3.93Å; F214-L223 HydrophobicContact CD2-CD2 4.01Å; F214-L223 HydrophobicContact CE2-CD2 4.16Å; F214-L223 HydrophobicContact CG-CD2 4.19Å; F214-L223 HydrophobicContact CZ-CD2 4.47Å; F214-F226 HydrophobicContact CB-CD1 4.31Å; F214-F226 HydrophobicContact CB-CE1 4.13Å; F214-F226 HydrophobicContact CB-CE2 4.39Å; F214-F226 HydrophobicContact CB-CZ 4.18Å; F214-F226 HydrophobicContact CD2-CB 3.64Å; F214-F226 AromaticContact CD2-CD1 3.88Å; F214-F226 HydrophobicContact CD2-CD1 3.88Å; F214-F226 AromaticContact CD2-CD2 3.93Å; F214-F226 HydrophobicContact CD2-CD2 3.93Å; F214-F226 AromaticContact CD2-CG 3.55Å; F214-F226 HydrophobicContact CD2-CG 3.55Å; F214-F226 HydrophobicContact CE2-CB 3.87Å; F214-F226 HydrophobicContact CE2-CG 4.3Å
215	D	92.8	Very high	93.6	Very high	152 Å²	152	63.1 Å²	63.1	81%	0.813	33%	0.334	S	S	*	.			trans	-126.3	123	174.1	-171.8	29.2	0	0	0	109.5	T213	T213-D215 PolarHBondContact O-N 3.36Å
216	G	91.3	Very high	93.5	Very high	53 Å²	53	63.8 Å²	63.8	55%	0.546	34%	0.336	S	S	.	.	S	Bend	trans	133.3	-167.7	-176.3	0	0	0	0	0	113.5	F214	F214-G216 WeakPolarHBondContact CE1-O 3.36Å
217	E	93.7	Very high	93.4	Very high	124 Å²	124	57.8 Å²	57.8	58%	0.579	31%	0.311	S	S	*	.			trans	-80.1	129.3	178.8	-175.6	-171.1	-165.6	0	0	110.9	F214 T219 K222	F214-E217 WeakPolarHBondContact CZ-O 3.5Å; E217-T219 HydrophobicContact CG-CG2 4.1Å; E217-T219 PolarHBondContact O-N 2.81Å; E217-T219 VanDerWaalsContact O-N 3.1Å; E217-K222 HydrophobicContact CB-CD 4.36Å; E217-K222 VanDerWaalsContact O-CD 3.31Å; E217-K222 WeakPolarHBondContact O-CD 3.29Å; E217-K222 IonicContact OE2-NZ 2.6Å; E217-K222 PolarHBondContact OE2-NZ 3.49Å
218	L	94.1	Very high	93.2	Very high	24 Å²	24	61.3 Å²	61.3	13%	0.126	33%	0.326	C	S	.	.			trans	-78.4	96.6	-178	-73.6	165.6	0	0	0	110.7	F159 D166 A169 V201 F214 L223	F159-L218 HydrophobicContact CE1-CD1 3.78Å; F159-L218 HydrophobicContact CZ-CD1 4.01Å; D166-L218 HydrophobicContact CB-CB 4.13Å; D166-L218 HydrophobicContact CB-CD1 3.66Å; A169-L218 WeakPolarHBondContact CB-O 3.48Å; V201-L218 HydrophobicContact CB-CD2 4.31Å; V201-L218 HydrophobicContact CG2-CD2 3.62Å; F214-L218 HydrophobicContact CD1-CD2 3.46Å; F214-L218 VanDerWaalsContact CD1-CD2 3.46Å; F214-L218 HydrophobicContact CD1-CG 4.1Å; F214-L218 HydrophobicContact CE1-CD2 3.5Å; F214-L218 HydrophobicContact CE1-CG 3.88Å; F214-L218 HydrophobicContact CG-CD2 4.27Å; F214-L218 HydrophobicContact CZ-CD2 4.34Å; L218-L223 HydrophobicContact CD2-CD1 4.08Å; L218-L223 HydrophobicContact CD2-CD2 3.64Å; L218-L223 HydrophobicContact CD2-CG 4.05Å
219	T	95.9	Very high	92.9	Very high	34 Å²	34	61.9 Å²	61.9	21%	0.209	34%	0.337	C	S	.	.			trans	-126.6	155.2	173	57.1	0	0	0	0	108.8	E217 E221 K222 L223	E217-T219 HydrophobicContact CG-CG2 4.1Å; E217-T219 PolarHBondContact O-N 2.81Å; E217-T219 VanDerWaalsContact O-N 3.1Å; T219-E221 PolarHBondContact O-N 3.21Å; T219-K222 PolarHBondContact O-N 3.37Å; T219-K222 VanDerWaalsContact OG1-CB 3.32Å; T219-K222 WeakPolarHBondContact OG1-CB 3.5Å; T219-K222 WeakPolarHBondContact OG1-CD 3.41Å; T219-K222 VanDerWaalsContact OG1-CG 3.23Å; T219-K222 WeakPolarHBondContact OG1-CG 3.37Å; T219-K222 PolarHBondContact OG1-N 3.4Å; T219-L223 WeakPolarHBondContact O-CB 3.3Å; T219-L223 WeakPolarHBondContact O-CG 3.09Å; T219-L223 PolarHBondContact O-N 3.07Å
220	K	92.8	Very high	92.8	Very high	78 Å²	78	58.1 Å²	58.1	34%	0.339	32%	0.32	S	S	.	.	H	α-helix	trans	-52.1	-47.5	178.3	176.9	-170.8	179.7	175.8	0	110.7	K172 L223 L224	K172-K220 HydrophobicContact CB-CB 4.27Å; K172-K220 HydrophobicContact CB-CD 4.13Å; K172-K220 HydrophobicContact CB-CG 4.17Å; K172-K220 WeakPolarHBondContact O-CE 3.48Å; K220-L223 PolarHBondContact O-N 3.3Å; K220-L224 HydrophobicContact CG-CD1 4.03Å; K220-L224 WeakPolarHBondContact O-CG 3.24Å; K220-L224 PolarHBondContact O-N 2.84Å
221	E	92.1	Very high	92.4	Very high	128 Å²	128	58.6 Å²	58.6	60%	0.598	32%	0.316	S	S	*	.	H	α-helix	trans	-67	-45.5	-173.8	-61.5	68.1	-145.4	0	0	111.3	T219 L224 A225	T219-E221 PolarHBondContact O-N 3.21Å; E221-L224 PolarHBondContact O-N 3.23Å; E221-A225 WeakPolarHBondContact O-CB 3.35Å; E221-A225 PolarHBondContact O-N 3.02Å
222	K	94.6	Very high	91.9	Very high	95 Å²	95	57.5 Å²	57.5	41%	0.413	32%	0.315	S	S	.	.	H	α-helix	trans	-68	-35.5	178.4	-67.8	175.7	-178.1	172.2	0	111.8	F214 E217 T219 F226	F214-K222 HydrophobicContact CE2-CB 4.16Å; F214-K222 HydrophobicContact CZ-CB 3.93Å; E217-K222 HydrophobicContact CB-CD 4.36Å; E217-K222 VanDerWaalsContact O-CD 3.31Å; E217-K222 WeakPolarHBondContact O-CD 3.29Å; E217-K222 IonicContact OE2-NZ 2.6Å; E217-K222 PolarHBondContact OE2-NZ 3.49Å; T219-K222 PolarHBondContact O-N 3.37Å; T219-K222 VanDerWaalsContact OG1-CB 3.32Å; T219-K222 WeakPolarHBondContact OG1-CB 3.5Å; T219-K222 WeakPolarHBondContact OG1-CD 3.41Å; T219-K222 VanDerWaalsContact OG1-CG 3.23Å; T219-K222 WeakPolarHBondContact OG1-CG 3.37Å; T219-K222 PolarHBondContact OG1-N 3.4Å; K222-F226 VanDerWaalsContact O-CB 3.27Å; K222-F226 WeakPolarHBondContact O-CB 3.41Å; K222-F226 PolarHBondContact O-N 3.48Å
223	L	95.9	Very high	91.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.8	-46.3	175.1	-77.5	172.4	0	0	0	111.9	A169 L170 A173 V201 F214 L218 T219 K220 A225 F226 V227	A169-L223 HydrophobicContact CB-CD1 4.36Å; L170-L223 HydrophobicContact CB-CD1 4.33Å; L170-L223 HydrophobicContact CD1-CD1 4.16Å; A173-L223 HydrophobicContact CB-CB 3.83Å; A173-L223 HydrophobicContact CB-CD1 4.23Å; V201-L223 HydrophobicContact CB-CD2 4.07Å; V201-L223 HydrophobicContact CG1-CD2 4.03Å; V201-L223 HydrophobicContact CG2-CD2 3.97Å; F214-L223 HydrophobicContact CD2-CD2 4.01Å; F214-L223 HydrophobicContact CE2-CD2 4.16Å; F214-L223 HydrophobicContact CG-CD2 4.19Å; F214-L223 HydrophobicContact CZ-CD2 4.47Å; L218-L223 HydrophobicContact CD2-CD1 4.08Å; L218-L223 HydrophobicContact CD2-CD2 3.64Å; L218-L223 HydrophobicContact CD2-CG 4.05Å; T219-L223 WeakPolarHBondContact O-CB 3.3Å; T219-L223 WeakPolarHBondContact O-CG 3.09Å; T219-L223 PolarHBondContact O-N 3.07Å; K220-L223 PolarHBondContact O-N 3.3Å; L223-A225 VanDerWaalsContact C-N 3.34Å; L223-A225 PolarHBondContact O-N 3.47Å; L223-F226 WeakPolarHBondContact O-CB 3.44Å; L223-F226 PolarHBondContact O-N 3.39Å; L223-V227 WeakPolarHBondContact O-CG2 3.42Å; L223-V227 PolarHBondContact O-N 3.36Å
224	L	91.2	Very high	91.3	Very high	35 Å²	35	55.5 Å²	55.5	18%	0.183	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-45.8	175.2	-73.8	173	0	0	0	111.5	A173 A176 M177 K220 E221 F226 V227 K228	A173-L224 HydrophobicContact CB-CD2 4.38Å; A173-L224 HydrophobicContact CB-CG 4.28Å; A176-L224 HydrophobicContact CB-CD1 4.11Å; A176-L224 HydrophobicContact CB-CD2 4.2Å; M177-L224 HydrophobicContact CB-CD2 4.23Å; M177-L224 HydrophobicContact CE-CD2 3.88Å; K220-L224 HydrophobicContact CG-CD1 4.03Å; K220-L224 WeakPolarHBondContact O-CG 3.24Å; K220-L224 PolarHBondContact O-N 2.84Å; E221-L224 PolarHBondContact O-N 3.23Å; L224-F226 VanDerWaalsContact C-N 3.35Å; L224-F226 PolarHBondContact O-N 3.37Å; L224-V227 PolarHBondContact O-N 3.24Å; L224-K228 WeakPolarHBondContact O-CB 3.15Å; L224-K228 VanDerWaalsContact O-CG 3.31Å; L224-K228 WeakPolarHBondContact O-CG 3.21Å; L224-K228 PolarHBondContact O-N 3.49Å
225	A	88.9	Confident	91.1	Very high	58 Å²	58	55.1 Å²	55.1	48%	0.479	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-42.8	176.1	0	0	0	0	0	112	E221 L223 A229	E221-A225 WeakPolarHBondContact O-CB 3.35Å; E221-A225 PolarHBondContact O-N 3.02Å; L223-A225 VanDerWaalsContact C-N 3.34Å; L223-A225 PolarHBondContact O-N 3.47Å; A225-A229 WeakPolarHBondContact O-CB 3.5Å; A225-A229 PolarHBondContact O-N 2.67Å
226	F	93.5	Very high	91.2	Very high	26 Å²	26	48.2 Å²	48.2	11%	0.114	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-47.1	176.4	166	-104.7	0	0	0	112.4	L203 N212 F214 K222 L223 L224 A229 N230	L203-F226 HydrophobicContact CB-CE1 3.77Å; L203-F226 HydrophobicContact CB-CZ 3.96Å; N212-F226 HydrophobicContact CB-CE2 3.93Å; N212-F226 HydrophobicContact CB-CZ 3.78Å; N212-F226 WeakPolarHBondContact O-CZ 3.35Å; F214-F226 HydrophobicContact CB-CD1 4.31Å; F214-F226 HydrophobicContact CB-CE1 4.13Å; F214-F226 HydrophobicContact CB-CE2 4.39Å; F214-F226 HydrophobicContact CB-CZ 4.18Å; F214-F226 HydrophobicContact CD2-CB 3.64Å; F214-F226 AromaticContact CD2-CD1 3.88Å; F214-F226 HydrophobicContact CD2-CD1 3.88Å; F214-F226 AromaticContact CD2-CD2 3.93Å; F214-F226 HydrophobicContact CD2-CD2 3.93Å; F214-F226 AromaticContact CD2-CG 3.55Å; F214-F226 HydrophobicContact CD2-CG 3.55Å; F214-F226 HydrophobicContact CE2-CB 3.87Å; F214-F226 HydrophobicContact CE2-CG 4.3Å; K222-F226 VanDerWaalsContact O-CB 3.27Å; K222-F226 WeakPolarHBondContact O-CB 3.41Å; K222-F226 PolarHBondContact O-N 3.48Å; L223-F226 WeakPolarHBondContact O-CB 3.44Å; L223-F226 PolarHBondContact O-N 3.39Å; L224-F226 VanDerWaalsContact C-N 3.35Å; L224-F226 PolarHBondContact O-N 3.37Å; F226-A229 PolarHBondContact O-N 3.15Å; F226-N230 VanDerWaalsContact CD2-ND2 3.35Å; F226-N230 WeakPolarHBondContact CD2-ND2 3.08Å; F226-N230 WeakPolarHBondContact CE2-ND2 3.48Å; F226-N230 WeakPolarHBondContact O-CB 3.25Å; F226-N230 PolarHBondContact O-N 3.34Å; F226-N230 PolarHBondContact O-ND2 2.87Å
227	V	92.4	Very high	91.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-48.7	180	178.9	0	0	0	0	109.8	V155 M177 V180 F182 L203 L223 L224 A229 N230 Q231	V155-V227 HydrophobicContact CG2-CG1 4.23Å; V155-V227 HydrophobicContact CG2-CG2 3.77Å; M177-V227 HydrophobicContact CE-CB 4.02Å; M177-V227 HydrophobicContact CE-CG1 3.84Å; M177-V227 HydrophobicContact SD-CB 4.02Å; M177-V227 HydrophobicContact SD-CG1 3.35Å; M177-V227 WeakPolarHBondContact SD-CG1 3.33Å; V180-V227 HydrophobicContact CB-CG1 4.44Å; V180-V227 HydrophobicContact CG1-CG1 4.32Å; V180-V227 HydrophobicContact CG2-CG1 4.12Å; F182-V227 HydrophobicContact CE1-CG2 4.23Å; F182-V227 HydrophobicContact CZ-CG1 4.48Å; F182-V227 HydrophobicContact CZ-CG2 4.01Å; L203-V227 HydrophobicContact CD1-CB 4.32Å; L203-V227 HydrophobicContact CD1-CG1 3.95Å; L203-V227 HydrophobicContact CD1-CG2 4.33Å; L223-V227 WeakPolarHBondContact O-CG2 3.42Å; L223-V227 PolarHBondContact O-N 3.36Å; L224-V227 PolarHBondContact O-N 3.24Å; V227-A229 VanDerWaalsContact C-N 3.28Å; V227-A229 PolarHBondContact O-N 2.83Å; V227-N230 CarbonylContact O-C 3.48Å; V227-N230 PolarHBondContact O-N 3.29Å; V227-Q231 HydrophobicContact CG1-CB 4.3Å; V227-Q231 WeakPolarHBondContact O-CB 3.46Å; V227-Q231 WeakPolarHBondContact O-CG 3.28Å; V227-Q231 PolarHBondContact O-N 3.37Å
228	K	85.8	Confident	91.3	Very high	105 Å²	105	43.7 Å²	43.7	46%	0.457	23%	0.23	S	C	.	.	H	α-helix	trans	-53.5	-42.6	175.3	-76	-177.7	171.9	-165.6	0	113	M177 L224 N230 D250	M177-K228 HydrophobicContact CE-CG 4.12Å; L224-K228 WeakPolarHBondContact O-CB 3.15Å; L224-K228 VanDerWaalsContact O-CG 3.31Å; L224-K228 WeakPolarHBondContact O-CG 3.21Å; L224-K228 PolarHBondContact O-N 3.49Å; K228-N230 VanDerWaalsContact C-N 3.26Å; K228-N230 PolarHBondContact O-N 2.82Å; K228-D250 IonicContact NZ-OD2 3.76Å
229	A	84.2	Confident	90.9	Very high	59 Å²	59	44.5 Å²	44.5	49%	0.488	24%	0.236	S	C	.	.	H	α-helix	trans	-72.3	-14.8	-179.1	0	0	0	0	0	114.4	A225 F226 V227 K281	A225-A229 WeakPolarHBondContact O-CB 3.5Å; A225-A229 PolarHBondContact O-N 2.67Å; F226-A229 PolarHBondContact O-N 3.15Å; V227-A229 VanDerWaalsContact C-N 3.28Å; V227-A229 PolarHBondContact O-N 2.83Å; A229-K281 WeakPolarHBondContact O-CE 3.46Å
230	N	88.6	Confident	90	Very high	16 Å²	16	51 Å²	51	9%	0.086	26%	0.264	C	S	.	.	H	α-helix	trans	-125.6	-8.4	-173.3	-65.9	-69.7	0	0	0	114.5	L203 K205 N212 F226 V227 K228 L232 K281	L203-N230 HydrophobicContact CD1-CB 4.06Å; L203-N230 HydrophobicContact CD2-CB 4.3Å; K205-N230 WeakPolarHBondContact CD-O 3.27Å; N212-N230 HydrophobicContact CB-CB 4.34Å; N212-N230 PolarHBondContact ND2-OD1 2.91Å; F226-N230 VanDerWaalsContact CD2-ND2 3.35Å; F226-N230 WeakPolarHBondContact CD2-ND2 3.08Å; F226-N230 WeakPolarHBondContact CE2-ND2 3.48Å; F226-N230 WeakPolarHBondContact O-CB 3.25Å; F226-N230 PolarHBondContact O-N 3.34Å; F226-N230 PolarHBondContact O-ND2 2.87Å; V227-N230 CarbonylContact O-C 3.48Å; V227-N230 PolarHBondContact O-N 3.29Å; K228-N230 VanDerWaalsContact C-N 3.26Å; K228-N230 PolarHBondContact O-N 2.82Å; N230-L232 VanDerWaalsContact C-N 3.33Å; N230-K281 PolarHBondContact OD1-NZ 3.49Å
231	Q	87.7	Confident	89.2	Confident	34 Å²	34	55.4 Å²	55.4	16%	0.159	29%	0.286	C	S	.	.	S	Bend	trans	-80.6	-10.4	-179.8	71.9	-178.6	12.7	0	0	114.3	V153 V180 F207 V227	V153-Q231 HydrophobicContact CG1-CB 4.19Å; V153-Q231 HydrophobicContact CG2-CB 4.37Å; V180-Q231 HydrophobicContact CG2-CB 4.45Å; V180-Q231 VanDerWaalsContact CG2-OE1 3.29Å; F207-Q231 WeakPolarHBondContact CZ-O 3.13Å; V227-Q231 HydrophobicContact CG1-CB 4.3Å; V227-Q231 WeakPolarHBondContact O-CB 3.46Å; V227-Q231 WeakPolarHBondContact O-CG 3.28Å; V227-Q231 PolarHBondContact O-N 3.37Å
232	L	84.1	Confident	88.8	Confident	53 Å²	53	50.8 Å²	50.8	28%	0.277	27%	0.266	S	S	.	.	S	Bend	trans	-102.9	142.3	175.2	-65.1	176.6	0	0	0	109.8	F207 N230 I236 K245	F207-L232 VanDerWaalsContact CE2-C 3.46Å; F207-L232 WeakPolarHBondContact CE2-O 3.47Å; N230-L232 VanDerWaalsContact C-N 3.33Å; L232-I236 HydrophobicContact CB-CD1 4.18Å; L232-I236 HydrophobicContact CD1-CD1 4.06Å; L232-I236 HydrophobicContact CD2-CD1 4.25Å; L232-I236 HydrophobicContact CG-CD1 4.39Å; L232-K245 HydrophobicContact CD2-CD 4.49Å
233	P	89.8	Confident	88.2	Confident	28 Å²	28	47 Å²	47	18%	0.182	25%	0.253	C	S	.	.			trans	-65.3	154.3	171.6	28.1	-33	0	0	0	110.3	F207 D208 V235 I236	F207-P233 HydrophobicContact CB-CB 4.29Å; F207-P233 HydrophobicContact CD1-CB 4.24Å; F207-P233 VanDerWaalsContact CD2-CA 3.48Å; F207-P233 HydrophobicContact CD2-CB 3.65Å; F207-P233 VanDerWaalsContact CE2-CA 3.4Å; F207-P233 HydrophobicContact CE2-CB 3.94Å; F207-P233 VanDerWaalsContact CE2-N 3.32Å; F207-P233 HydrophobicContact CG-CB 3.81Å; F207-P233 HydrophobicContact CZ-CB 4.37Å; D208-P233 WeakPolarHBondContact OD2-CA 3.2Å; P233-V235 WeakPolarHBondContact CB-O 3.08Å; P233-V235 WeakPolarHBondContact CG-O 3.3Å; P233-V235 PolarHBondContact O-N 3.47Å; P233-I236 HydrophobicContact CG-CG1 3.88Å
234	L	90.6	Very high	87.3	Confident	38 Å²	38	51.3 Å²	51.3	20%	0.199	28%	0.281	C	S	.	.	S	Bend	trans	-55.5	-32	174.7	-81.8	171.3	0	0	0	112.3	D208 A277 E278 K281 F286	D208-L234 HydrophobicContact CB-CD1 4.37Å; D208-L234 PolarHBondContact OD2-N 3.34Å; L234-A277 HydrophobicContact CB-CB 4.36Å; L234-E278 HydrophobicContact CD1-CG 4.22Å; L234-K281 HydrophobicContact CD2-CD 4.49Å; L234-F286 WeakPolarHBondContact O-CB 3.47Å
235	V	94.3	Very high	86.7	Confident	18 Å²	18	55 Å²	55	11%	0.109	30%	0.295	C	S	.	.	S	Bend	trans	-129.4	124.7	173.5	-178.9	0	0	0	0	108.4	P233 M270 F273 K274 A277 F286 F288	P233-V235 WeakPolarHBondContact CB-O 3.08Å; P233-V235 WeakPolarHBondContact CG-O 3.3Å; P233-V235 PolarHBondContact O-N 3.47Å; V235-M270 HydrophobicContact CB-CE 4.44Å; V235-M270 HydrophobicContact CG1-CE 3.82Å; V235-F273 HydrophobicContact CB-CD1 4.49Å; V235-F273 HydrophobicContact CG1-CD1 3.71Å; V235-F273 HydrophobicContact CG1-CE1 3.8Å; V235-F273 HydrophobicContact CG2-CD1 3.89Å; V235-F273 HydrophobicContact CG2-CE1 4.36Å; V235-K274 HydrophobicContact CG2-CB 3.99Å; V235-K274 HydrophobicContact CG2-CG 4.33Å; V235-A277 HydrophobicContact CG2-CB 4.2Å; V235-F286 WeakPolarHBondContact CA-O 3.49Å; V235-F286 HydrophobicContact CG2-CB 4.22Å; V235-F288 HydrophobicContact CG1-CB 4.32Å; V235-F288 HydrophobicContact CG1-CD1 3.99Å
236	I	93.1	Very high	86.4	Confident	7 Å²	7	52.3 Å²	52.3	4%	0.036	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.5	-177.7	-54.8	172.1	0	0	0	109.2	L232 P233 T242 I246 L285 F286 I287 F288	L232-I236 HydrophobicContact CB-CD1 4.18Å; L232-I236 HydrophobicContact CD1-CD1 4.06Å; L232-I236 HydrophobicContact CD2-CD1 4.25Å; L232-I236 HydrophobicContact CG-CD1 4.39Å; P233-I236 HydrophobicContact CG-CG1 3.88Å; I236-T242 HydrophobicContact CG2-CG2 4.06Å; I236-I246 HydrophobicContact CD1-CG1 4.4Å; I236-I246 HydrophobicContact CG2-CD1 3.93Å; I236-I246 HydrophobicContact CG2-CG1 4.11Å; I236-L285 HydrophobicContact CD1-CD1 3.62Å; I236-L285 HydrophobicContact CD1-CD2 4.17Å; I236-L285 HydrophobicContact CD1-CG 4.07Å; I236-F286 PolarHBondContact N-O 2.88Å; I236-I287 CarbonylContact O-C 3.53Å; I236-I287 VanDerWaalsContact O-CA 3.29Å; I236-I287 WeakPolarHBondContact O-CA 3.27Å; I236-F288 PolarHBondContact O-N 2.98Å
237	E	93.9	Very high	85.7	Confident	56 Å²	56	56.2 Å²	56.2	26%	0.262	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.1	166.3	-171	167.6	168.8	0	0	109.7	T239 T242 K261 F288	E237-T239 HydrophobicContact CB-CG2 4.35Å; E237-T239 HydrophobicContact CG-CG2 3.82Å; E237-T239 PolarHBondContact O-N 2.86Å; E237-T242 WeakPolarHBondContact O-CB 3.29Å; E237-T242 PolarHBondContact O-OG1 2.94Å; E237-K261 VanDerWaalsContact OE1-CE 3.29Å; E237-K261 WeakPolarHBondContact OE1-CE 3.48Å; E237-K261 IonicContact OE1-NZ 3.73Å; E237-K261 PolarHBondContact OE1-NZ 2.62Å; E237-K261 IonicContact OE2-NZ 2.56Å; E237-K261 PolarHBondContact OE2-NZ 3.02Å; E237-F288 VanDerWaalsContact CA-CE1 3.4Å; E237-F288 HydrophobicContact CB-CD1 3.97Å; E237-F288 HydrophobicContact CB-CE1 3.26Å; E237-F288 HydrophobicContact CB-CE2 4.32Å; E237-F288 HydrophobicContact CB-CZ 3.48Å; E237-F288 VanDerWaalsContact CB-CZ 3.48Å; E237-F288 HydrophobicContact CG-CD1 4.32Å; E237-F288 HydrophobicContact CG-CD2 4.43Å; E237-F288 HydrophobicContact CG-CE1 3.61Å; E237-F288 HydrophobicContact CG-CE2 3.69Å; E237-F288 HydrophobicContact CG-CZ 3.25Å; E237-F288 VanDerWaalsContact OE2-CZ 3.25Å; E237-F288 WeakPolarHBondContact OE2-CZ 3.13Å
238	F	93.3	Very high	84.7	Confident	25 Å²	25	59.2 Å²	59.2	11%	0.11	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-74.6	119.4	169.1	-174.1	-88.3	0	0	0	110.9	A243 I246 F247 I287 F288 I289 I299	F238-A243 HydrophobicContact CE2-CB 3.82Å; F238-A243 HydrophobicContact CZ-CB 3.92Å; F238-I246 HydrophobicContact CD2-CD1 3.91Å; F238-F247 AromaticContact CE2-CE2 3.66Å; F238-F247 HydrophobicContact CE2-CE2 3.66Å; F238-F247 AromaticContact CE2-CZ 3.84Å; F238-F247 HydrophobicContact CE2-CZ 3.84Å; F238-F247 HydrophobicContact CZ-CE2 4.3Å; F238-I287 HydrophobicContact CB-CG2 3.85Å; F238-F288 PolarHBondContact N-O 3.43Å; F238-I289 HydrophobicContact CB-CB 4.45Å; F238-I289 HydrophobicContact CB-CD1 4.09Å; F238-I289 HydrophobicContact CB-CG1 3.67Å; F238-I289 HydrophobicContact CD1-CD1 4.48Å; F238-I289 HydrophobicContact CG-CD1 4.11Å; F238-I289 HydrophobicContact CG-CG1 4.23Å; F238-I299 HydrophobicContact CD1-CD1 3.68Å; F238-I299 HydrophobicContact CE1-CD1 3.12Å; F238-I299 HydrophobicContact CE2-CD1 4.14Å; F238-I299 HydrophobicContact CG-CD1 4.4Å; F238-I299 HydrophobicContact CZ-CD1 3.38Å
239	T	86.3	Confident	84.1	Confident	42 Å²	42	55.2 Å²	55.2	26%	0.258	31%	0.31	S	S	.	.			trans	-146.7	167.8	176.5	67.6	0	0	0	0	108.5	E237 Q241 T242 A243	E237-T239 HydrophobicContact CB-CG2 4.35Å; E237-T239 HydrophobicContact CG-CG2 3.82Å; E237-T239 PolarHBondContact O-N 2.86Å; T239-Q241 PolarHBondContact O-N 2.81Å; T239-Q241 VanDerWaalsContact O-N 3.14Å; T239-Q241 PolarHBondContact OG1-N 2.85Å; T239-T242 PolarHBondContact N-OG1 3.38Å; T239-T242 PolarHBondContact O-N 2.91Å; T239-T242 VanDerWaalsContact O-N 3.17Å; T239-T242 PolarHBondContact O-OG1 3.43Å; T239-T242 PolarHBondContact OG1-N 2.92Å; T239-T242 VanDerWaalsContact OG1-N 3.15Å; T239-T242 PolarHBondContact OG1-OG1 3.27Å; T239-A243 WeakPolarHBondContact O-CB 3.31Å; T239-A243 PolarHBondContact O-N 2.78Å
240	E	77.1	Confident	84	Confident	169 Å²	169	58.6 Å²	58.6	79%	0.79	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-31	172	-64.3	-171.4	153.5	0	0	112.9	P244	E240-P244 VanDerWaalsContact O-CD 3.31Å; E240-P244 WeakPolarHBondContact O-CD 3.42Å
241	Q	76.3	Confident	83.9	Confident	171 Å²	171	59.9 Å²	59.9	80%	0.799	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-32.3	-178.9	-60.7	-178.9	21.6	0	0	112.9	T239	T239-Q241 PolarHBondContact O-N 2.81Å; T239-Q241 VanDerWaalsContact O-N 3.14Å; T239-Q241 PolarHBondContact OG1-N 2.85Å
242	T	84.1	Confident	84	Confident	31 Å²	31	62.1 Å²	62.1	19%	0.19	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-21.9	-177.7	51.8	0	0	0	0	112.5	I236 E237 T239 K245 I246	I236-T242 HydrophobicContact CG2-CG2 4.06Å; E237-T242 WeakPolarHBondContact O-CB 3.29Å; E237-T242 PolarHBondContact O-OG1 2.94Å; T239-T242 PolarHBondContact N-OG1 3.38Å; T239-T242 PolarHBondContact O-N 2.91Å; T239-T242 VanDerWaalsContact O-N 3.17Å; T239-T242 PolarHBondContact O-OG1 3.43Å; T239-T242 PolarHBondContact OG1-N 2.92Å; T239-T242 VanDerWaalsContact OG1-N 3.15Å; T239-T242 PolarHBondContact OG1-OG1 3.27Å; T242-K245 WeakPolarHBondContact O-CB 3.31Å; T242-K245 PolarHBondContact O-N 2.72Å; T242-I246 WeakPolarHBondContact O-CG1 3.29Å; T242-I246 PolarHBondContact O-N 2.9Å
243	A	82.1	Confident	84.4	Confident	16 Å²	16	60.5 Å²	60.5	13%	0.132	33%	0.328	C	S	.	.	H	α-helix	trans	-54.1	-46.9	179.9	0	0	0	0	0	113.8	F238 T239 K245 I246 F247	F238-A243 HydrophobicContact CE2-CB 3.82Å; F238-A243 HydrophobicContact CZ-CB 3.92Å; T239-A243 WeakPolarHBondContact O-CB 3.31Å; T239-A243 PolarHBondContact O-N 2.78Å; A243-K245 PolarHBondContact O-N 3.33Å; A243-I246 PolarHBondContact O-N 3.4Å; A243-F247 HydrophobicContact CB-CD2 4.24Å; A243-F247 HydrophobicContact CB-CE2 4.12Å; A243-F247 WeakPolarHBondContact O-CD2 3.38Å; A243-F247 PolarHBondContact O-N 3.22Å
244	P	76.9	Confident	84.7	Confident	90 Å²	90	59.3 Å²	59.3	58%	0.584	32%	0.32	S	S	*	.	H	α-helix	trans	-60.9	-32.7	176.4	-24.2	34.9	0	0	0	113.3	E240 G248	E240-P244 VanDerWaalsContact O-CD 3.31Å; E240-P244 WeakPolarHBondContact O-CD 3.42Å; P244-G248 VanDerWaalsContact O-CA 3.3Å; P244-G248 WeakPolarHBondContact O-CA 3.32Å; P244-G248 PolarHBondContact O-N 2.56Å
245	K	77.3	Confident	85	Confident	114 Å²	114	57.5 Å²	57.5	50%	0.496	31%	0.31	S	S	.	.	H	α-helix	trans	-75	-35.7	178	-59.8	-176.3	-179	-177.2	0	112.1	L232 T242 A243 G249	L232-K245 HydrophobicContact CD2-CD 4.49Å; T242-K245 WeakPolarHBondContact O-CB 3.31Å; T242-K245 PolarHBondContact O-N 2.72Å; A243-K245 PolarHBondContact O-N 3.33Å; K245-G249 PolarHBondContact O-N 3.37Å
246	I	83.2	Confident	85.2	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-66.4	-51.9	176.8	-71.9	167.4	0	0	0	110.1	I236 F238 T242 A243 H254 L285 I287	I236-I246 HydrophobicContact CD1-CG1 4.4Å; I236-I246 HydrophobicContact CG2-CD1 3.93Å; I236-I246 HydrophobicContact CG2-CG1 4.11Å; F238-I246 HydrophobicContact CD2-CD1 3.91Å; T242-I246 WeakPolarHBondContact O-CG1 3.29Å; T242-I246 PolarHBondContact O-N 2.9Å; A243-I246 PolarHBondContact O-N 3.4Å; I246-H254 VanDerWaalsContact CG2-CE1 3.45Å; I246-H254 WeakPolarHBondContact CG2-CE1 3.24Å; I246-H254 PolarHBondContact O-CE1 3.3Å; I246-H254 VanDerWaalsContact O-CE1 3.29Å; I246-L285 HydrophobicContact CB-CD2 4.34Å; I246-L285 HydrophobicContact CG1-CD2 4.28Å; I246-L285 HydrophobicContact CG2-CD2 4.09Å; I246-I287 HydrophobicContact CD1-CD1 4.26Å; I246-I287 HydrophobicContact CD1-CG1 4.34Å; I246-I287 HydrophobicContact CD1-CG2 4.14Å; I246-I287 HydrophobicContact CG1-CD1 4.38Å; I246-I287 HydrophobicContact CG2-CD1 3.5Å; I246-I287 VanDerWaalsContact CG2-CD1 3.5Å; I246-I287 HydrophobicContact CG2-CG1 4.5Å
247	F	78.6	Confident	85.4	Confident	108 Å²	108	56.8 Å²	56.8	47%	0.474	31%	0.306	S	S	.	.	H	α-helix	trans	-86.1	-27.1	-173.9	-59	-58.1	0	0	0	113.8	F238 A243 G249 L318	F238-F247 AromaticContact CE2-CE2 3.66Å; F238-F247 HydrophobicContact CE2-CE2 3.66Å; F238-F247 AromaticContact CE2-CZ 3.84Å; F238-F247 HydrophobicContact CE2-CZ 3.84Å; F238-F247 HydrophobicContact CZ-CE2 4.3Å; A243-F247 HydrophobicContact CB-CD2 4.24Å; A243-F247 HydrophobicContact CB-CE2 4.12Å; A243-F247 WeakPolarHBondContact O-CD2 3.38Å; A243-F247 PolarHBondContact O-N 3.22Å; F247-G249 PolarHBondContact O-N 3.34Å; F247-L318 HydrophobicContact CD1-CD1 3.79Å; F247-L318 HydrophobicContact CE1-CD1 4.17Å
248	G	71.3	Confident	85.5	Confident	63 Å²	63	54.1 Å²	54.1	65%	0.649	29%	0.294	S	S	*	.	S	Bend	trans	-79.7	-3.1	171.6	0	0	0	0	0	113.9	P244	P244-G248 VanDerWaalsContact O-CA 3.3Å; P244-G248 WeakPolarHBondContact O-CA 3.32Å; P244-G248 PolarHBondContact O-N 2.56Å
249	G	74.4	Confident	85.7	Confident	21 Å²	21	52.9 Å²	52.9	22%	0.216	29%	0.288	C	S	.	.	S	Bend	trans	-73.8	161.3	179.9	0	0	0	0	0	114	K245 F247 I251 K252	K245-G249 PolarHBondContact O-N 3.37Å; F247-G249 PolarHBondContact O-N 3.34Å; G249-I251 VanDerWaalsContact C-N 3.31Å; G249-K252 PolarHBondContact O-NZ 3.27Å
250	D	80.2	Confident	86.1	Confident	129 Å²	129	51.9 Å²	51.9	69%	0.69	28%	0.283	S	S	*	.	S	Bend	trans	-74.1	-23.3	177.8	-61.8	-40.6	0	0	0	112.2	K228 K252	K228-D250 IonicContact NZ-OD2 3.76Å; D250-K252 PolarHBondContact O-N 2.99Å
251	I	86.9	Confident	87	Confident	43 Å²	43	48.1 Å²	48.1	22%	0.221	26%	0.263	C	S	.	.			trans	-82.7	113.4	179.4	-56.5	174.4	0	0	0	109.2	G249 S253 H254 L285	G249-I251 VanDerWaalsContact C-N 3.31Å; I251-S253 WeakPolarHBondContact CG2-O 3.16Å; I251-H254 PolarHBondContact O-CD2 2.75Å; I251-H254 PolarHBondContact O-NE2 2.98Å; I251-L285 HydrophobicContact CD1-CD1 4.47Å; I251-L285 HydrophobicContact CG2-CB 4.11Å
252	K	89.8	Confident	87.8	Confident	81 Å²	81	44.1 Å²	44.1	35%	0.352	26%	0.26	S	S	.	.			trans	-91.9	-8.9	-179.4	-56.4	-50.9	-175.8	-168.4	0	114.6	G249 D250 T317 L318 E319	G249-K252 PolarHBondContact O-NZ 3.27Å; D250-K252 PolarHBondContact O-N 2.99Å; K252-T317 CarbonylContact O-C 3.57Å; K252-L318 HydrophobicContact CB-CB 4.36Å; K252-L318 WeakPolarHBondContact O-CB 3.41Å; K252-L318 PolarHBondContact O-N 2.84Å; K252-E319 HydrophobicContact CB-CG 4.22Å
253	S	93.6	Very high	88.3	Confident	19 Å²	19	43.8 Å²	43.8	13%	0.133	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	115.4	177.7	-59.4	0	0	0	0	110.4	I251 I284 L285	I251-S253 WeakPolarHBondContact CG2-O 3.16Å; S253-I284 CarbonylContact O-C 3.44Å; S253-I284 WeakPolarHBondContact O-CA 3.39Å; S253-L285 PolarHBondContact O-N 3.46Å
254	H	95.7	Very high	88.9	Confident	3 Å²	3	49.4 Å²	49.4	1%	0.014	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.6	-175.9	-62.8	178.4	0	0	0	110.5	I246 I251 L256 L285 I287 L315 I316 L318	I246-H254 VanDerWaalsContact CG2-CE1 3.45Å; I246-H254 WeakPolarHBondContact CG2-CE1 3.24Å; I246-H254 PolarHBondContact O-CE1 3.3Å; I246-H254 VanDerWaalsContact O-CE1 3.29Å; I251-H254 PolarHBondContact O-CD2 2.75Å; I251-H254 PolarHBondContact O-NE2 2.98Å; H254-L256 HydrophobicContact CB-CD1 4.07Å; H254-L285 WeakPolarHBondContact CA-O 3.33Å; H254-I287 HydrophobicContact CB-CD1 3.86Å; H254-L315 CarbonylContact O-C 3.59Å; H254-L315 VanDerWaalsContact O-CA 3.29Å; H254-L315 WeakPolarHBondContact O-CA 3.32Å; H254-I316 HydrophobicContact CB-CG2 3.87Å; H254-I316 PolarHBondContact N-O 3.38Å; H254-I316 PolarHBondContact O-N 3.08Å; H254-L318 WeakPolarHBondContact CE1-CD1 3.21Å; H254-L318 WeakPolarHBondContact ND1-CD1 3.31Å
255	I	97.3	Very high	89.7	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.4	167.2	-172.9	171.1	0	0	0	108.9	F273 I284 L285 F286 I287 I313 R314 L315 I337 F340 C341	I255-F273 HydrophobicContact CD1-CE2 4.23Å; I255-F273 HydrophobicContact CG1-CE2 4.16Å; I255-F273 HydrophobicContact CG1-CZ 4.44Å; I255-F273 HydrophobicContact CG2-CE2 4.27Å; I255-F273 HydrophobicContact CG2-CZ 4.01Å; I255-I284 HydrophobicContact CB-CG2 3.93Å; I255-I284 HydrophobicContact CG2-CG2 3.66Å; I255-L285 PolarHBondContact N-O 2.98Å; I255-F286 HydrophobicContact CG2-CB 4.1Å; I255-F286 HydrophobicContact CG2-CD1 3.59Å; I255-F286 HydrophobicContact CG2-CD2 3.46Å; I255-F286 VanDerWaalsContact CG2-CD2 3.46Å; I255-F286 HydrophobicContact CG2-CE1 3.79Å; I255-F286 HydrophobicContact CG2-CE2 3.63Å; I255-F286 HydrophobicContact CG2-CG 3.43Å; I255-F286 VanDerWaalsContact CG2-CG 3.43Å; I255-F286 HydrophobicContact CG2-CZ 3.8Å; I255-I287 PolarHBondContact O-N 3.01Å; I255-I313 HydrophobicContact CD1-CG2 3.7Å; I255-I313 HydrophobicContact CG1-CG2 3.74Å; I255-R314 CarbonylContact C-O 3.44Å; I255-R314 WeakPolarHBondContact CA-O 3.4Å; I255-L315 HydrophobicContact CB-CG 4.48Å; I255-I337 HydrophobicContact CD1-CG2 3.94Å; I255-F340 HydrophobicContact CD1-CD1 4.05Å; I255-F340 HydrophobicContact CD1-CE1 4.32Å; I255-C341 WeakPolarHBondContact CD1-SG 3.47Å
256	L	97.3	Very high	90.6	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.052	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.5	-175.1	-59.4	91.7	0	0	0	109.2	H254 F258 I287 I289 F303 I313 R314 I316	H254-L256 HydrophobicContact CB-CD1 4.07Å; L256-F258 HydrophobicContact CB-CE2 3.86Å; L256-F258 HydrophobicContact CB-CZ 4.19Å; L256-F258 HydrophobicContact CD2-CZ 4.36Å; L256-I287 CarbonylContact C-O 3.6Å; L256-I287 WeakPolarHBondContact CA-O 3.33Å; L256-I287 HydrophobicContact CG-CB 4.42Å; L256-I287 HydrophobicContact CG-CD1 4.49Å; L256-I289 HydrophobicContact CD2-CD1 3.61Å; L256-I289 HydrophobicContact CD2-CG1 4.42Å; L256-F303 HydrophobicContact CD1-CE1 4.33Å; L256-F303 HydrophobicContact CD1-CE2 4.37Å; L256-F303 HydrophobicContact CD1-CZ 3.74Å; L256-F303 HydrophobicContact CD2-CE2 3.9Å; L256-F303 HydrophobicContact CD2-CZ 4.1Å; L256-I313 CarbonylContact O-C 3.55Å; L256-I313 VanDerWaalsContact O-CA 3.32Å; L256-I313 WeakPolarHBondContact O-CA 3.49Å; L256-R314 PolarHBondContact N-O 2.86Å; L256-R314 PolarHBondContact O-N 3.41Å; L256-I316 HydrophobicContact CD1-CG2 3.63Å
257	M	97.9	Very high	91.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	111.6	168	-176.3	176	62.9	0	0	109.3	L259 K269 M270 F273 I287 F288 I289 A312 I313 I332	M257-L259 HydrophobicContact CE-CB 4.23Å; M257-L259 HydrophobicContact CE-CD2 3.58Å; M257-L259 HydrophobicContact CG-CB 4.11Å; M257-L259 PolarHBondContact O-N 3.3Å; M257-L259 HydrophobicContact SD-CB 4.47Å; M257-L259 HydrophobicContact SD-CD2 4.22Å; M257-K269 HydrophobicContact SD-CB 4.42Å; M257-M270 HydrophobicContact CE-CG 4.32Å; M257-M270 HydrophobicContact CE-SD 3.39Å; M257-M270 WeakPolarHBondContact CE-SD 3.33Å; M257-F273 HydrophobicContact CB-CD1 4.31Å; M257-F273 HydrophobicContact CB-CD2 3.98Å; M257-F273 HydrophobicContact CB-CE1 4.04Å; M257-F273 HydrophobicContact CB-CE2 3.73Å; M257-F273 HydrophobicContact CB-CG 4.28Å; M257-F273 HydrophobicContact CB-CZ 3.75Å; M257-F273 HydrophobicContact CE-CB 3.7Å; M257-F273 HydrophobicContact CE-CD1 3.84Å; M257-F273 HydrophobicContact CE-CD2 4.38Å; M257-F273 HydrophobicContact CE-CG 3.74Å; M257-F273 HydrophobicContact SD-CB 3.89Å; M257-F273 HydrophobicContact SD-CD1 4.5Å; M257-F273 HydrophobicContact SD-CD2 4Å; M257-F273 HydrophobicContact SD-CG 3.9Å; M257-I287 PolarHBondContact N-O 3.19Å; M257-F288 HydrophobicContact CE-CB 4.21Å; M257-F288 CarbonylContact O-C 3.55Å; M257-F288 VanDerWaalsContact O-CA 3.32Å; M257-F288 WeakPolarHBondContact O-CA 3.44Å; M257-I289 PolarHBondContact O-N 3.49Å; M257-A312 CarbonylContact C-O 3.6Å; M257-A312 WeakPolarHBondContact CA-O 3.21Å; M257-I313 HydrophobicContact CB-CG1 4.21Å; M257-I313 HydrophobicContact CG-CG1 4.13Å; M257-I332 HydrophobicContact SD-CG2 3.88Å
258	F	97.1	Very high	92.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	110.3	171.1	-60	-91.9	0	0	0	107.5	L256 I289 I299 L300 F303 L305 P311 A312 R314	L256-F258 HydrophobicContact CB-CE2 3.86Å; L256-F258 HydrophobicContact CB-CZ 4.19Å; L256-F258 HydrophobicContact CD2-CZ 4.36Å; F258-I289 HydrophobicContact CD1-CB 4.02Å; F258-I289 HydrophobicContact CD1-CD1 4.37Å; F258-I289 HydrophobicContact CD1-CG2 4.23Å; F258-I289 HydrophobicContact CE1-CB 4.3Å; F258-I289 HydrophobicContact CE1-CD1 3.77Å; F258-I289 HydrophobicContact CE1-CG1 4.39Å; F258-I289 HydrophobicContact CE1-CG2 4.41Å; F258-I289 HydrophobicContact CZ-CD1 4.18Å; F258-I299 HydrophobicContact CE1-CG2 3.96Å; F258-I299 HydrophobicContact CZ-CG2 4.18Å; F258-L300 HydrophobicContact CD1-CD1 3.65Å; F258-L300 HydrophobicContact CD1-CG 3.82Å; F258-L300 HydrophobicContact CE1-CD1 3.95Å; F258-L300 HydrophobicContact CE1-CG 4.15Å; F258-F303 HydrophobicContact CE1-CD2 4.47Å; F258-F303 HydrophobicContact CE2-CB 4.36Å; F258-F303 HydrophobicContact CE2-CD2 4.24Å; F258-F303 HydrophobicContact CE2-CG 4.23Å; F258-F303 HydrophobicContact CZ-CB 4.13Å; F258-F303 AromaticContact CZ-CD2 3.52Å; F258-F303 HydrophobicContact CZ-CD2 3.52Å; F258-F303 HydrophobicContact CZ-CE2 4.11Å; F258-F303 AromaticContact CZ-CG 3.92Å; F258-F303 HydrophobicContact CZ-CG 3.92Å; F258-L305 HydrophobicContact CB-CD1 4.37Å; F258-L305 HydrophobicContact CD1-CD1 4.3Å; F258-L305 HydrophobicContact CD2-CD1 3.33Å; F258-L305 HydrophobicContact CE1-CD1 4.48Å; F258-L305 HydrophobicContact CE2-CD1 3.58Å; F258-L305 HydrophobicContact CG-CD1 3.73Å; F258-L305 HydrophobicContact CZ-CD1 4.16Å; F258-P311 CarbonylContact O-C 3.53Å; F258-P311 WeakPolarHBondContact O-CA 3.45Å; F258-P311 WeakPolarHBondContact O-CB 3.41Å; F258-A312 PolarHBondContact N-O 2.57Å; F258-A312 PolarHBondContact O-N 2.85Å; F258-R314 HydrophobicContact CE2-CB 4.21Å; F258-R314 HydrophobicContact CE2-CG 4.11Å
259	L	96.7	Very high	93.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.272	C	S	.	.			trans	-143.5	116	-172.5	175.6	66.1	0	0	0	109.4	M257 K261 A263 F266 K269 M270 I289 D290 P311	M257-L259 HydrophobicContact CE-CB 4.23Å; M257-L259 HydrophobicContact CE-CD2 3.58Å; M257-L259 HydrophobicContact CG-CB 4.11Å; M257-L259 PolarHBondContact O-N 3.3Å; M257-L259 HydrophobicContact SD-CB 4.47Å; M257-L259 HydrophobicContact SD-CD2 4.22Å; L259-K261 PolarHBondContact O-N 2.94Å; L259-A263 HydrophobicContact CD1-CB 4.41Å; L259-F266 HydrophobicContact CD1-CD2 4.49Å; L259-F266 HydrophobicContact CD2-CD2 3.44Å; L259-F266 VanDerWaalsContact CD2-CD2 3.44Å; L259-F266 HydrophobicContact CD2-CE2 3.67Å; L259-F266 HydrophobicContact CD2-CG 4.21Å; L259-F266 HydrophobicContact CG-CD2 3.62Å; L259-F266 HydrophobicContact CG-CE2 3.98Å; L259-K269 HydrophobicContact CD1-CB 4.3Å; L259-K269 HydrophobicContact CD1-CD 3.54Å; L259-K269 HydrophobicContact CD2-CB 3.94Å; L259-M270 HydrophobicContact CD2-CG 3.96Å; L259-M270 HydrophobicContact CD2-SD 4.23Å; L259-I289 PolarHBondContact N-O 3.31Å; L259-D290 WeakPolarHBondContact O-CA 3.35Å; L259-P311 HydrophobicContact CD1-CB 3.8Å
260	P	95.5	Very high	94.4	Very high	21 Å²	21	47.7 Å²	47.7	14%	0.136	27%	0.268	C	S	.	.			trans	-67.6	128.6	178.5	18.6	-21.8	0	0	0	110.2	A262 A263 D290 S291 D292	P260-A262 PolarHBondContact O-N 2.98Å; P260-A262 VanDerWaalsContact O-N 3.15Å; P260-A263 HydrophobicContact CG-CB 4.21Å; P260-A263 WeakPolarHBondContact O-CB 3.05Å; P260-A263 PolarHBondContact O-N 3.25Å; P260-D290 WeakPolarHBondContact CA-OD1 3.47Å; P260-S291 WeakPolarHBondContact CA-OG 3.47Å; P260-S291 WeakPolarHBondContact CB-OG 3.36Å; P260-S291 WeakPolarHBondContact CD-OG 3.44Å; P260-D292 HydrophobicContact CB-CB 4.48Å; P260-D292 VanDerWaalsContact CB-CG 3.45Å; P260-D292 WeakPolarHBondContact CB-OD2 3.44Å
261	K	95.1	Very high	95.1	Very high	89 Å²	89	45.8 Å²	45.8	39%	0.387	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.6	179.1	-81	-174.9	177.3	177.6	0	113	E237 L259 A263 F266 D290	E237-K261 VanDerWaalsContact OE1-CE 3.29Å; E237-K261 WeakPolarHBondContact OE1-CE 3.48Å; E237-K261 IonicContact OE1-NZ 3.73Å; E237-K261 PolarHBondContact OE1-NZ 2.62Å; E237-K261 IonicContact OE2-NZ 2.56Å; E237-K261 PolarHBondContact OE2-NZ 3.02Å; L259-K261 PolarHBondContact O-N 2.94Å; K261-A263 VanDerWaalsContact C-N 3.25Å; K261-A263 PolarHBondContact O-N 3.18Å; K261-F266 HydrophobicContact CB-CD2 4.49Å; K261-F266 HydrophobicContact CB-CE2 4.34Å; K261-F266 HydrophobicContact CG-CD2 4.31Å; K261-F266 HydrophobicContact CG-CE2 3.68Å; K261-F266 HydrophobicContact CG-CZ 3.98Å; K261-D290 WeakPolarHBondContact CB-OD2 3.42Å; K261-D290 HydrophobicContact CD-CB 4.4Å; K261-D290 WeakPolarHBondContact CD-OD2 3.26Å; K261-D290 HydrophobicContact CG-CB 4.17Å; K261-D290 WeakPolarHBondContact CG-OD2 3.07Å; K261-D290 PolarHBondContact N-OD1 3.3Å
262	A	93.4	Very high	95.6	Very high	87 Å²	87	46.5 Å²	46.5	72%	0.719	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-7.3	176.5	0	0	0	0	0	113.9	P260	P260-A262 PolarHBondContact O-N 2.98Å; P260-A262 VanDerWaalsContact O-N 3.15Å
263	A	93.8	Very high	96	Very high	25 Å²	25	42.6 Å²	42.6	21%	0.207	24%	0.243	C	C	.	.			trans	-62.6	135.8	179.4	0	0	0	0	0	112	L259 P260 K261 D265 F266	L259-A263 HydrophobicContact CD1-CB 4.41Å; P260-A263 HydrophobicContact CG-CB 4.21Å; P260-A263 WeakPolarHBondContact O-CB 3.05Å; P260-A263 PolarHBondContact O-N 3.25Å; K261-A263 VanDerWaalsContact C-N 3.25Å; K261-A263 PolarHBondContact O-N 3.18Å; A263-D265 PolarHBondContact O-N 2.97Å; A263-F266 HydrophobicContact CB-CB 4.39Å; A263-F266 VanDerWaalsContact O-CB 3.25Å; A263-F266 WeakPolarHBondContact O-CB 3.45Å; A263-F266 PolarHBondContact O-N 2.9Å; A263-F266 VanDerWaalsContact O-N 3.11Å
264	S	94.9	Very high	96.1	Very high	133 Å²	133	45.3 Å²	45.3	93%	0.93	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.2	-179.4	54.5	0	0	0	0	114
265	D	93.6	Very high	96.1	Very high	62 Å²	62	50.2 Å²	50.2	33%	0.332	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	20	179.4	60.2	0.8	0	0	0	112.3	A263 Q267 D268 K269	A263-D265 PolarHBondContact O-N 2.97Å; D265-Q267 PolarHBondContact O-N 3.06Å; D265-D268 PolarHBondContact O-N 2.95Å; D265-K269 PolarHBondContact O-N 3.15Å; D265-K269 VanDerWaalsContact O-N 3.12Å; D265-K269 IonicContact OD1-NZ 3.69Å; D265-K269 PolarHBondContact OD1-NZ 3.13Å; D265-K269 WeakPolarHBondContact OD2-CE 3.46Å; D265-K269 IonicContact OD2-NZ 2.62Å; D265-K269 PolarHBondContact OD2-NZ 3.01Å
266	F	95.8	Very high	96.1	Very high	38 Å²	38	50.2 Å²	50.2	17%	0.167	27%	0.274	C	S	.	.	H	α-helix	trans	-50.7	-52.2	178.8	175.4	-93.8	0	0	0	112.3	L259 K261 A263 D268 K269 M270 F288	L259-F266 HydrophobicContact CD1-CD2 4.49Å; L259-F266 HydrophobicContact CD2-CD2 3.44Å; L259-F266 VanDerWaalsContact CD2-CD2 3.44Å; L259-F266 HydrophobicContact CD2-CE2 3.67Å; L259-F266 HydrophobicContact CD2-CG 4.21Å; L259-F266 HydrophobicContact CG-CD2 3.62Å; L259-F266 HydrophobicContact CG-CE2 3.98Å; K261-F266 HydrophobicContact CB-CD2 4.49Å; K261-F266 HydrophobicContact CB-CE2 4.34Å; K261-F266 HydrophobicContact CG-CD2 4.31Å; K261-F266 HydrophobicContact CG-CE2 3.68Å; K261-F266 HydrophobicContact CG-CZ 3.98Å; A263-F266 HydrophobicContact CB-CB 4.39Å; A263-F266 VanDerWaalsContact O-CB 3.25Å; A263-F266 WeakPolarHBondContact O-CB 3.45Å; A263-F266 PolarHBondContact O-N 2.9Å; A263-F266 VanDerWaalsContact O-N 3.11Å; F266-D268 PolarHBondContact O-N 3.17Å; F266-K269 PolarHBondContact O-N 2.93Å; F266-M270 HydrophobicContact CD1-CG 4.17Å; F266-M270 HydrophobicContact CE1-CG 3.69Å; F266-M270 HydrophobicContact CE2-CG 4.07Å; F266-M270 HydrophobicContact CZ-CG 3.63Å; F266-M270 HydrophobicContact CZ-SD 4.21Å; F266-M270 WeakPolarHBondContact O-CB 3.27Å; F266-M270 WeakPolarHBondContact O-CG 3.47Å; F266-M270 PolarHBondContact O-N 3.11Å; F266-F288 HydrophobicContact CE2-CE2 4.37Å; F266-F288 HydrophobicContact CZ-CE2 4.2Å
267	Q	95.9	Very high	96.1	Very high	115 Å²	115	49.9 Å²	49.9	54%	0.537	27%	0.272	S	S	.	.	H	α-helix	trans	-66.1	-38.7	-175.6	-170.6	60.9	52	0	0	112.2	D265 M270 D271	D265-Q267 PolarHBondContact O-N 3.06Å; Q267-M270 PolarHBondContact O-N 3.29Å; Q267-D271 PolarHBondContact NE2-OD1 2.61Å; Q267-D271 WeakPolarHBondContact O-CB 3.47Å; Q267-D271 PolarHBondContact O-N 2.6Å
268	D	97	Very high	95.8	Very high	94 Å²	94	54.8 Å²	54.8	50%	0.503	30%	0.295	S	S	.	.	H	α-helix	trans	-62.8	-45.6	178.9	-177	76.1	0	0	0	111.3	D265 F266 D271 H272	D265-D268 PolarHBondContact O-N 2.95Å; F266-D268 PolarHBondContact O-N 3.17Å; D268-D271 PolarHBondContact O-N 3.4Å; D268-H272 PolarHBondContact O-CD2 3.34Å; D268-H272 PolarHBondContact O-N 3.24Å; D268-H272 IonicContact OD2-CD2 3.82Å
269	K	97.2	Very high	95.5	Very high	27 Å²	27	57.4 Å²	57.4	12%	0.117	32%	0.322	C	S	.	.	H	α-helix	trans	-65.4	-40.6	174.9	-71.5	173.9	-176.7	144.7	0	112.4	M257 L259 D265 F266 D271 H272 F273 P311 I332	M257-K269 HydrophobicContact SD-CB 4.42Å; L259-K269 HydrophobicContact CD1-CB 4.3Å; L259-K269 HydrophobicContact CD1-CD 3.54Å; L259-K269 HydrophobicContact CD2-CB 3.94Å; D265-K269 PolarHBondContact O-N 3.15Å; D265-K269 VanDerWaalsContact O-N 3.12Å; D265-K269 IonicContact OD1-NZ 3.69Å; D265-K269 PolarHBondContact OD1-NZ 3.13Å; D265-K269 WeakPolarHBondContact OD2-CE 3.46Å; D265-K269 IonicContact OD2-NZ 2.62Å; D265-K269 PolarHBondContact OD2-NZ 3.01Å; F266-K269 PolarHBondContact O-N 2.93Å; K269-D271 VanDerWaalsContact C-N 3.34Å; K269-H272 PolarHBondContact O-N 3.08Å; K269-F273 WeakPolarHBondContact O-CB 3.49Å; K269-F273 PolarHBondContact O-N 3.19Å; K269-P311 HydrophobicContact CD-CB 4.35Å; K269-P311 HydrophobicContact CD-CG 4.11Å; K269-I332 HydrophobicContact CB-CG2 4.05Å; K269-I332 HydrophobicContact CD-CD1 4.35Å; K269-I332 HydrophobicContact CG-CB 4.34Å; K269-I332 HydrophobicContact CG-CG2 4Å
270	M	96.9	Very high	95.4	Very high	26 Å²	26	58.2 Å²	58.2	13%	0.128	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-40.8	174.5	-79.1	-60.9	-60.5	0	0	112.3	V235 M257 L259 F266 Q267 F273 K274 F288	V235-M270 HydrophobicContact CB-CE 4.44Å; V235-M270 HydrophobicContact CG1-CE 3.82Å; M257-M270 HydrophobicContact CE-CG 4.32Å; M257-M270 HydrophobicContact CE-SD 3.39Å; M257-M270 WeakPolarHBondContact CE-SD 3.33Å; L259-M270 HydrophobicContact CD2-CG 3.96Å; L259-M270 HydrophobicContact CD2-SD 4.23Å; F266-M270 HydrophobicContact CD1-CG 4.17Å; F266-M270 HydrophobicContact CE1-CG 3.69Å; F266-M270 HydrophobicContact CE2-CG 4.07Å; F266-M270 HydrophobicContact CZ-CG 3.63Å; F266-M270 HydrophobicContact CZ-SD 4.21Å; F266-M270 WeakPolarHBondContact O-CB 3.27Å; F266-M270 WeakPolarHBondContact O-CG 3.47Å; F266-M270 PolarHBondContact O-N 3.11Å; Q267-M270 PolarHBondContact O-N 3.29Å; M270-F273 PolarHBondContact O-N 3.48Å; M270-K274 VanDerWaalsContact O-CB 3.24Å; M270-K274 WeakPolarHBondContact O-CB 3.34Å; M270-K274 PolarHBondContact O-N 3.18Å; M270-F288 HydrophobicContact CE-CD1 3.83Å; M270-F288 HydrophobicContact CE-CE1 4.15Å; M270-F288 HydrophobicContact CE-CG 4.25Å; M270-F288 HydrophobicContact SD-CB 4Å; M270-F288 HydrophobicContact SD-CD1 4.14Å; M270-F288 HydrophobicContact SD-CD2 4.4Å; M270-F288 HydrophobicContact SD-CG 3.94Å
271	D	96.1	Very high	95	Very high	88 Å²	88	61.8 Å²	61.8	47%	0.471	34%	0.339	S	S	.	.	H	α-helix	trans	-65	-42.2	177.6	-70.3	-12.2	0	0	0	110.9	Q267 D268 K269 K275	Q267-D271 PolarHBondContact NE2-OD1 2.61Å; Q267-D271 WeakPolarHBondContact O-CB 3.47Å; Q267-D271 PolarHBondContact O-N 2.6Å; D268-D271 PolarHBondContact O-N 3.4Å; K269-D271 VanDerWaalsContact C-N 3.34Å; D271-K275 VanDerWaalsContact O-CB 3.25Å; D271-K275 WeakPolarHBondContact O-CB 3.41Å; D271-K275 PolarHBondContact O-N 3.32Å
272	H	98.1	Very high	94.5	Very high	58 Å²	58	60.2 Å²	60.2	27%	0.269	35%	0.348	S	S	.	.	H	α-helix	trans	-62.7	-43.8	173	-81.7	-51.1	0	0	0	113.1	D268 K269 K275 A276 A334	D268-H272 PolarHBondContact O-CD2 3.34Å; D268-H272 PolarHBondContact O-N 3.24Å; D268-H272 IonicContact OD2-CD2 3.82Å; K269-H272 PolarHBondContact O-N 3.08Å; H272-K275 PolarHBondContact O-N 3.37Å; H272-A276 PolarHBondContact O-N 3.04Å; H272-A276 VanDerWaalsContact O-N 3.08Å; H272-A334 PolarHBondContact ND1-N 2.99Å
273	F	97.8	Very high	94.4	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-65.5	-45	179	-166.3	-115.6	0	0	0	111.7	V235 I255 M257 K269 M270 K275 A276 A277 F286 I287 I313 I337	V235-F273 HydrophobicContact CB-CD1 4.49Å; V235-F273 HydrophobicContact CG1-CD1 3.71Å; V235-F273 HydrophobicContact CG1-CE1 3.8Å; V235-F273 HydrophobicContact CG2-CD1 3.89Å; V235-F273 HydrophobicContact CG2-CE1 4.36Å; I255-F273 HydrophobicContact CD1-CE2 4.23Å; I255-F273 HydrophobicContact CG1-CE2 4.16Å; I255-F273 HydrophobicContact CG1-CZ 4.44Å; I255-F273 HydrophobicContact CG2-CE2 4.27Å; I255-F273 HydrophobicContact CG2-CZ 4.01Å; M257-F273 HydrophobicContact CB-CD1 4.31Å; M257-F273 HydrophobicContact CB-CD2 3.98Å; M257-F273 HydrophobicContact CB-CE1 4.04Å; M257-F273 HydrophobicContact CB-CE2 3.73Å; M257-F273 HydrophobicContact CB-CG 4.28Å; M257-F273 HydrophobicContact CB-CZ 3.75Å; M257-F273 HydrophobicContact CE-CB 3.7Å; M257-F273 HydrophobicContact CE-CD1 3.84Å; M257-F273 HydrophobicContact CE-CD2 4.38Å; M257-F273 HydrophobicContact CE-CG 3.74Å; M257-F273 HydrophobicContact SD-CB 3.89Å; M257-F273 HydrophobicContact SD-CD1 4.5Å; M257-F273 HydrophobicContact SD-CD2 4Å; M257-F273 HydrophobicContact SD-CG 3.9Å; K269-F273 WeakPolarHBondContact O-CB 3.49Å; K269-F273 PolarHBondContact O-N 3.19Å; M270-F273 PolarHBondContact O-N 3.48Å; F273-K275 VanDerWaalsContact C-N 3.35Å; F273-K275 PolarHBondContact O-N 2.78Å; F273-A276 PolarHBondContact O-N 2.87Å; F273-A277 PolarHBondContact O-N 3.5Å; F273-F286 HydrophobicContact CD1-CD1 4.09Å; F273-F286 HydrophobicContact CD2-CD1 4.01Å; F273-F286 HydrophobicContact CD2-CE1 4.31Å; F273-F286 HydrophobicContact CE1-CB 3.82Å; F273-F286 AromaticContact CE1-CD1 3.76Å; F273-F286 HydrophobicContact CE1-CD1 3.76Å; F273-F286 HydrophobicContact CE1-CG 4.25Å; F273-F286 AromaticContact CE2-CD1 3.64Å; F273-F286 HydrophobicContact CE2-CD1 3.64Å; F273-F286 HydrophobicContact CE2-CE1 4.06Å; F273-F286 HydrophobicContact CG-CD1 4.21Å; F273-F286 HydrophobicContact CZ-CB 4.04Å; F273-F286 AromaticContact CZ-CD1 3.52Å; F273-F286 HydrophobicContact CZ-CD1 3.52Å; F273-F286 HydrophobicContact CZ-CE1 4.36Å; F273-F286 HydrophobicContact CZ-CG 4.11Å; F273-I287 WeakPolarHBondContact CE1-O 3.39Å; F273-I287 WeakPolarHBondContact CZ-O 3.48Å; F273-I313 HydrophobicContact CD2-CD1 4.31Å; F273-I313 HydrophobicContact CE2-CD1 4.38Å; F273-I337 HydrophobicContact CB-CD1 4.41Å; F273-I337 HydrophobicContact CD2-CD1 3.97Å; F273-I337 HydrophobicContact CD2-CG2 4.41Å
274	K	95.7	Very high	94.4	Very high	75 Å²	75	60.1 Å²	60.1	33%	0.326	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-41.1	174.4	-175.1	172.8	-174.8	163.8	0	112.1	D208 V235 M270 A276 A277 E278	D208-K274 WeakPolarHBondContact OD1-CE 3.34Å; D208-K274 IonicContact OD1-NZ 2.9Å; D208-K274 PolarHBondContact OD1-NZ 3.42Å; V235-K274 HydrophobicContact CG2-CB 3.99Å; V235-K274 HydrophobicContact CG2-CG 4.33Å; M270-K274 VanDerWaalsContact O-CB 3.24Å; M270-K274 WeakPolarHBondContact O-CB 3.34Å; M270-K274 PolarHBondContact O-N 3.18Å; K274-A276 VanDerWaalsContact C-N 3.29Å; K274-A276 PolarHBondContact O-N 2.79Å; K274-A277 WeakPolarHBondContact O-CB 3.3Å; K274-A277 PolarHBondContact O-N 3.12Å; K274-E278 PolarHBondContact O-N 3.02Å
275	K	95.7	Very high	94.3	Very high	107 Å²	107	54.6 Å²	54.6	47%	0.465	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-38.2	177.9	-176.2	56.8	179.5	169.9	0	112.1	D271 H272 F273 E278 A334	D271-K275 VanDerWaalsContact O-CB 3.25Å; D271-K275 WeakPolarHBondContact O-CB 3.41Å; D271-K275 PolarHBondContact O-N 3.32Å; H272-K275 PolarHBondContact O-N 3.37Å; F273-K275 VanDerWaalsContact C-N 3.35Å; F273-K275 PolarHBondContact O-N 2.78Å; K275-E278 IonicContact NZ-OE1 2.88Å; K275-E278 IonicContact NZ-OE2 3.77Å; K275-E278 PolarHBondContact NZ-OE2 3.39Å; K275-A334 HydrophobicContact CB-CB 3.99Å; K275-A334 HydrophobicContact CG-CB 3.94Å
276	A	97.1	Very high	94.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.3	-40.4	174.3	0	0	0	0	0	112.1	H272 F273 K274 E278 G279 F280 F286 I337 I338	H272-A276 PolarHBondContact O-N 3.04Å; H272-A276 VanDerWaalsContact O-N 3.08Å; F273-A276 PolarHBondContact O-N 2.87Å; K274-A276 VanDerWaalsContact C-N 3.29Å; K274-A276 PolarHBondContact O-N 2.79Å; A276-E278 PolarHBondContact O-N 3.31Å; A276-E278 VanDerWaalsContact O-N 3.16Å; A276-G279 PolarHBondContact O-N 2.94Å; A276-F280 WeakPolarHBondContact O-CD2 3.34Å; A276-F286 HydrophobicContact CB-CE1 3.96Å; A276-F286 HydrophobicContact CB-CZ 4.39Å; A276-I337 HydrophobicContact CB-CB 3.71Å; A276-I337 HydrophobicContact CB-CG2 3.47Å; A276-I337 VanDerWaalsContact CB-CG2 3.47Å; A276-I338 HydrophobicContact CB-CG1 3.8Å
277	A	95.9	Very high	94.6	Very high	2 Å²	2	50 Å²	50	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-55.9	-32.8	-178.7	0	0	0	0	0	114	L234 V235 F273 K274 G279 F280 K281 F286	L234-A277 HydrophobicContact CB-CB 4.36Å; V235-A277 HydrophobicContact CG2-CB 4.2Å; F273-A277 PolarHBondContact O-N 3.5Å; K274-A277 WeakPolarHBondContact O-CB 3.3Å; K274-A277 PolarHBondContact O-N 3.12Å; A277-G279 PolarHBondContact O-N 3.13Å; A277-G279 VanDerWaalsContact O-N 3.13Å; A277-F280 PolarHBondContact O-N 3.18Å; A277-F280 VanDerWaalsContact O-N 3.12Å; A277-K281 PolarHBondContact O-N 3.42Å; A277-F286 HydrophobicContact CB-CB 3.97Å; A277-F286 HydrophobicContact CB-CD1 3.54Å; A277-F286 HydrophobicContact CB-CD2 3.87Å; A277-F286 HydrophobicContact CB-CE1 3.92Å; A277-F286 HydrophobicContact CB-CE2 4.25Å; A277-F286 HydrophobicContact CB-CG 3.51Å; A277-F286 HydrophobicContact CB-CZ 4.26Å
278	E	92.1	Very high	94.6	Very high	104 Å²	104	45.3 Å²	45.3	49%	0.486	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-51.8	-36.5	178.5	-67.2	175	-169.3	0	0	113.1	L234 K274 K275 A276	L234-E278 HydrophobicContact CD1-CG 4.22Å; K274-E278 PolarHBondContact O-N 3.02Å; K275-E278 IonicContact NZ-OE1 2.88Å; K275-E278 IonicContact NZ-OE2 3.77Å; K275-E278 PolarHBondContact NZ-OE2 3.39Å; A276-E278 PolarHBondContact O-N 3.31Å; A276-E278 VanDerWaalsContact O-N 3.16Å
279	G	92.3	Very high	94.6	Very high	55 Å²	55	40.9 Å²	40.9	57%	0.567	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-80.4	-12.1	-175.9	0	0	0	0	0	115.3	A276 A277	A276-G279 PolarHBondContact O-N 2.94Å; A277-G279 PolarHBondContact O-N 3.13Å; A277-G279 VanDerWaalsContact O-N 3.13Å
280	F	93.9	Very high	94.6	Very high	16 Å²	16	40.3 Å²	40.3	7%	0.07	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-125.6	15.3	-169.8	-59.5	-82.3	0	0	0	113.4	A276 A277 G282 Q283 I284 F286 I338 C341 V345	A276-F280 WeakPolarHBondContact O-CD2 3.34Å; A277-F280 PolarHBondContact O-N 3.18Å; A277-F280 VanDerWaalsContact O-N 3.12Å; F280-G282 PolarHBondContact O-N 2.72Å; F280-Q283 PolarHBondContact O-N 3.03Å; F280-I284 HydrophobicContact CB-CB 4.16Å; F280-I284 HydrophobicContact CB-CD1 4.34Å; F280-I284 HydrophobicContact CB-CG1 4.35Å; F280-I284 HydrophobicContact CD1-CD1 3.88Å; F280-I284 HydrophobicContact CG-CD1 4.18Å; F280-I284 PolarHBondContact O-N 3.13Å; F280-F286 HydrophobicContact CB-CE2 3.84Å; F280-F286 HydrophobicContact CB-CZ 4.45Å; F280-F286 HydrophobicContact CD2-CE2 4.18Å; F280-F286 AromaticContact CD2-CZ 3.94Å; F280-F286 HydrophobicContact CD2-CZ 3.94Å; F280-F286 HydrophobicContact CG-CE2 4.32Å; F280-I338 HydrophobicContact CE2-CB 4.38Å; F280-I338 HydrophobicContact CE2-CG1 4.19Å; F280-I338 HydrophobicContact CE2-CG2 4.32Å; F280-I338 HydrophobicContact CZ-CG2 4.29Å; F280-C341 HydrophobicContact CD1-CB 3.91Å; F280-C341 HydrophobicContact CD2-CB 3.91Å; F280-C341 HydrophobicContact CE1-CB 3.48Å; F280-C341 VanDerWaalsContact CE1-CB 3.48Å; F280-C341 HydrophobicContact CE2-CB 3.5Å; F280-C341 VanDerWaalsContact CE2-CB 3.5Å; F280-C341 HydrophobicContact CG-CB 4.12Å; F280-C341 HydrophobicContact CZ-CB 3.27Å; F280-V345 HydrophobicContact CD1-CG2 4.34Å; F280-V345 HydrophobicContact CE1-CG2 4.44Å
281	K	87.3	Confident	94.4	Very high	96 Å²	96	39.1 Å²	39.1	42%	0.417	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	127.9	177.1	-171.9	174.3	-179.9	178	0	110.8	A229 N230 L234 A277 Q283	A229-K281 WeakPolarHBondContact O-CE 3.46Å; N230-K281 PolarHBondContact OD1-NZ 3.49Å; L234-K281 HydrophobicContact CD2-CD 4.49Å; A277-K281 PolarHBondContact O-N 3.42Å; K281-Q283 PolarHBondContact O-N 3.24Å
282	G	84.3	Confident	94.3	Very high	57 Å²	57	38.3 Å²	38.3	59%	0.588	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	-5.9	-178.7	0	0	0	0	0	115.3	F280	F280-G282 PolarHBondContact O-N 2.72Å
283	Q	90.2	Very high	94	Very high	104 Å²	104	38.7 Å²	38.7	49%	0.486	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-44.5	177.9	-66.7	176.5	80.2	0	0	111.9	F280 K281	F280-Q283 PolarHBondContact O-N 3.03Å; K281-Q283 PolarHBondContact O-N 3.24Å
284	I	94.4	Very high	93.5	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.031	24%	0.238	C	C	.	.	S	Bend	trans	-130.2	131.3	179.8	-53.1	174.7	0	0	0	108.5	S253 I255 F280 F286 L315 C341 F344 V345	S253-I284 CarbonylContact O-C 3.44Å; S253-I284 WeakPolarHBondContact O-CA 3.39Å; I255-I284 HydrophobicContact CB-CG2 3.93Å; I255-I284 HydrophobicContact CG2-CG2 3.66Å; F280-I284 HydrophobicContact CB-CB 4.16Å; F280-I284 HydrophobicContact CB-CD1 4.34Å; F280-I284 HydrophobicContact CB-CG1 4.35Å; F280-I284 HydrophobicContact CD1-CD1 3.88Å; F280-I284 HydrophobicContact CG-CD1 4.18Å; F280-I284 PolarHBondContact O-N 3.13Å; I284-F286 HydrophobicContact CB-CD2 4.47Å; I284-F286 HydrophobicContact CB-CE2 4.07Å; I284-F286 HydrophobicContact CG2-CD2 4.27Å; I284-F286 HydrophobicContact CG2-CE2 4.05Å; I284-L315 HydrophobicContact CD1-CD1 4.37Å; I284-C341 HydrophobicContact CD1-CB 3.7Å; I284-F344 HydrophobicContact CD1-CD1 3.87Å; I284-F344 HydrophobicContact CD1-CE1 4.41Å; I284-F344 HydrophobicContact CG1-CD1 4.34Å; I284-F344 HydrophobicContact CG1-CE1 4.4Å; I284-V345 HydrophobicContact CD1-CG2 3.94Å; I284-V345 HydrophobicContact CG1-CG2 4.36Å
285	L	94	Very high	93	Very high	17 Å²	17	46.2 Å²	46.2	9%	0.089	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	122.5	174.1	-165	63.7	0	0	0	109.8	I236 I246 I251 S253 H254 I255 I287	I236-L285 HydrophobicContact CD1-CD1 3.62Å; I236-L285 HydrophobicContact CD1-CD2 4.17Å; I236-L285 HydrophobicContact CD1-CG 4.07Å; I246-L285 HydrophobicContact CB-CD2 4.34Å; I246-L285 HydrophobicContact CG1-CD2 4.28Å; I246-L285 HydrophobicContact CG2-CD2 4.09Å; I251-L285 HydrophobicContact CD1-CD1 4.47Å; I251-L285 HydrophobicContact CG2-CB 4.11Å; S253-L285 PolarHBondContact O-N 3.46Å; H254-L285 WeakPolarHBondContact CA-O 3.33Å; I255-L285 PolarHBondContact N-O 2.98Å; L285-I287 HydrophobicContact CD2-CD1 4.23Å; L285-I287 HydrophobicContact CD2-CG1 4.37Å; L285-I287 HydrophobicContact CG-CD1 4.46Å; L285-I287 HydrophobicContact CG-CG1 4.2Å
286	F	97.1	Very high	92.7	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.013	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.5	179.7	-81	-119.3	0	0	0	110.1	L234 V235 I236 I255 F273 A276 A277 F280 I284 I337	L234-F286 WeakPolarHBondContact O-CB 3.47Å; V235-F286 WeakPolarHBondContact CA-O 3.49Å; V235-F286 HydrophobicContact CG2-CB 4.22Å; I236-F286 PolarHBondContact N-O 2.88Å; I255-F286 HydrophobicContact CG2-CB 4.1Å; I255-F286 HydrophobicContact CG2-CD1 3.59Å; I255-F286 HydrophobicContact CG2-CD2 3.46Å; I255-F286 VanDerWaalsContact CG2-CD2 3.46Å; I255-F286 HydrophobicContact CG2-CE1 3.79Å; I255-F286 HydrophobicContact CG2-CE2 3.63Å; I255-F286 HydrophobicContact CG2-CG 3.43Å; I255-F286 VanDerWaalsContact CG2-CG 3.43Å; I255-F286 HydrophobicContact CG2-CZ 3.8Å; F273-F286 HydrophobicContact CD1-CD1 4.09Å; F273-F286 HydrophobicContact CD2-CD1 4.01Å; F273-F286 HydrophobicContact CD2-CE1 4.31Å; F273-F286 HydrophobicContact CE1-CB 3.82Å; F273-F286 AromaticContact CE1-CD1 3.76Å; F273-F286 HydrophobicContact CE1-CD1 3.76Å; F273-F286 HydrophobicContact CE1-CG 4.25Å; F273-F286 AromaticContact CE2-CD1 3.64Å; F273-F286 HydrophobicContact CE2-CD1 3.64Å; F273-F286 HydrophobicContact CE2-CE1 4.06Å; F273-F286 HydrophobicContact CG-CD1 4.21Å; F273-F286 HydrophobicContact CZ-CB 4.04Å; F273-F286 AromaticContact CZ-CD1 3.52Å; F273-F286 HydrophobicContact CZ-CD1 3.52Å; F273-F286 HydrophobicContact CZ-CE1 4.36Å; F273-F286 HydrophobicContact CZ-CG 4.11Å; A276-F286 HydrophobicContact CB-CE1 3.96Å; A276-F286 HydrophobicContact CB-CZ 4.39Å; A277-F286 HydrophobicContact CB-CB 3.97Å; A277-F286 HydrophobicContact CB-CD1 3.54Å; A277-F286 HydrophobicContact CB-CD2 3.87Å; A277-F286 HydrophobicContact CB-CE1 3.92Å; A277-F286 HydrophobicContact CB-CE2 4.25Å; A277-F286 HydrophobicContact CB-CG 3.51Å; A277-F286 HydrophobicContact CB-CZ 4.26Å; F280-F286 HydrophobicContact CB-CE2 3.84Å; F280-F286 HydrophobicContact CB-CZ 4.45Å; F280-F286 HydrophobicContact CD2-CE2 4.18Å; F280-F286 AromaticContact CD2-CZ 3.94Å; F280-F286 HydrophobicContact CD2-CZ 3.94Å; F280-F286 HydrophobicContact CG-CE2 4.32Å; I284-F286 HydrophobicContact CB-CD2 4.47Å; I284-F286 HydrophobicContact CB-CE2 4.07Å; I284-F286 HydrophobicContact CG2-CD2 4.27Å; I284-F286 HydrophobicContact CG2-CE2 4.05Å; F286-I337 HydrophobicContact CE1-CG2 3.91Å; F286-I337 HydrophobicContact CZ-CG2 4.41Å
287	I	97.2	Very high	92.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.1	-173.8	-55.3	165.6	0	0	0	108.1	I236 F238 I246 H254 I255 L256 M257 F273 L285 I289	I236-I287 CarbonylContact O-C 3.53Å; I236-I287 VanDerWaalsContact O-CA 3.29Å; I236-I287 WeakPolarHBondContact O-CA 3.27Å; F238-I287 HydrophobicContact CB-CG2 3.85Å; I246-I287 HydrophobicContact CD1-CD1 4.26Å; I246-I287 HydrophobicContact CD1-CG1 4.34Å; I246-I287 HydrophobicContact CD1-CG2 4.14Å; I246-I287 HydrophobicContact CG1-CD1 4.38Å; I246-I287 HydrophobicContact CG2-CD1 3.5Å; I246-I287 VanDerWaalsContact CG2-CD1 3.5Å; I246-I287 HydrophobicContact CG2-CG1 4.5Å; H254-I287 HydrophobicContact CB-CD1 3.86Å; I255-I287 PolarHBondContact O-N 3.01Å; L256-I287 CarbonylContact C-O 3.6Å; L256-I287 WeakPolarHBondContact CA-O 3.33Å; L256-I287 HydrophobicContact CG-CB 4.42Å; L256-I287 HydrophobicContact CG-CD1 4.49Å; M257-I287 PolarHBondContact N-O 3.19Å; F273-I287 WeakPolarHBondContact CE1-O 3.39Å; F273-I287 WeakPolarHBondContact CZ-O 3.48Å; L285-I287 HydrophobicContact CD2-CD1 4.23Å; L285-I287 HydrophobicContact CD2-CG1 4.37Å; L285-I287 HydrophobicContact CG-CD1 4.46Å; L285-I287 HydrophobicContact CG-CG1 4.2Å; I287-I289 HydrophobicContact CG2-CG1 4.3Å
288	F	96.6	Very high	91.6	Very high	16 Å²	16	53 Å²	53	7%	0.07	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.9	166	90.4	-92.4	0	0	0	110.3	V235 I236 E237 F238 M257 F266 M270	V235-F288 HydrophobicContact CG1-CB 4.32Å; V235-F288 HydrophobicContact CG1-CD1 3.99Å; I236-F288 PolarHBondContact O-N 2.98Å; E237-F288 VanDerWaalsContact CA-CE1 3.4Å; E237-F288 HydrophobicContact CB-CD1 3.97Å; E237-F288 HydrophobicContact CB-CE1 3.26Å; E237-F288 HydrophobicContact CB-CE2 4.32Å; E237-F288 HydrophobicContact CB-CZ 3.48Å; E237-F288 VanDerWaalsContact CB-CZ 3.48Å; E237-F288 HydrophobicContact CG-CD1 4.32Å; E237-F288 HydrophobicContact CG-CD2 4.43Å; E237-F288 HydrophobicContact CG-CE1 3.61Å; E237-F288 HydrophobicContact CG-CE2 3.69Å; E237-F288 HydrophobicContact CG-CZ 3.25Å; E237-F288 VanDerWaalsContact OE2-CZ 3.25Å; E237-F288 WeakPolarHBondContact OE2-CZ 3.13Å; F238-F288 PolarHBondContact N-O 3.43Å; M257-F288 HydrophobicContact CE-CB 4.21Å; M257-F288 CarbonylContact O-C 3.55Å; M257-F288 VanDerWaalsContact O-CA 3.32Å; M257-F288 WeakPolarHBondContact O-CA 3.44Å; F266-F288 HydrophobicContact CE2-CE2 4.37Å; F266-F288 HydrophobicContact CZ-CE2 4.2Å; M270-F288 HydrophobicContact CE-CD1 3.83Å; M270-F288 HydrophobicContact CE-CE1 4.15Å; M270-F288 HydrophobicContact CE-CG 4.25Å; M270-F288 HydrophobicContact SD-CB 4Å; M270-F288 HydrophobicContact SD-CD1 4.14Å; M270-F288 HydrophobicContact SD-CD2 4.4Å; M270-F288 HydrophobicContact SD-CG 3.94Å
289	I	96.8	Very high	91.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.7	178.8	-54.2	-162.6	0	0	0	107.7	F238 L256 M257 F258 L259 I287 S291 N296 I299	F238-I289 HydrophobicContact CB-CB 4.45Å; F238-I289 HydrophobicContact CB-CD1 4.09Å; F238-I289 HydrophobicContact CB-CG1 3.67Å; F238-I289 HydrophobicContact CD1-CD1 4.48Å; F238-I289 HydrophobicContact CG-CD1 4.11Å; F238-I289 HydrophobicContact CG-CG1 4.23Å; L256-I289 HydrophobicContact CD2-CD1 3.61Å; L256-I289 HydrophobicContact CD2-CG1 4.42Å; M257-I289 PolarHBondContact O-N 3.49Å; F258-I289 HydrophobicContact CD1-CB 4.02Å; F258-I289 HydrophobicContact CD1-CD1 4.37Å; F258-I289 HydrophobicContact CD1-CG2 4.23Å; F258-I289 HydrophobicContact CE1-CB 4.3Å; F258-I289 HydrophobicContact CE1-CD1 3.77Å; F258-I289 HydrophobicContact CE1-CG1 4.39Å; F258-I289 HydrophobicContact CE1-CG2 4.41Å; F258-I289 HydrophobicContact CZ-CD1 4.18Å; L259-I289 PolarHBondContact N-O 3.31Å; I287-I289 HydrophobicContact CG2-CG1 4.3Å; I289-S291 PolarHBondContact O-N 2.9Å; I289-S291 VanDerWaalsContact O-N 3.17Å; I289-N296 HydrophobicContact CG2-CB 3.79Å; I289-N296 WeakPolarHBondContact CG2-ND2 3.49Å; I289-I299 HydrophobicContact CD1-CD1 4.3Å; I289-I299 HydrophobicContact CD1-CG2 3.73Å
290	D	96.5	Very high	91.2	Very high	16 Å²	16	47.3 Å²	47.3	9%	0.086	24%	0.241	C	C	.	.			trans	-71.5	107.5	170.1	-171.7	0.9	0	0	0	109.6	L259 P260 K261 D292 I293 N296	L259-D290 WeakPolarHBondContact O-CA 3.35Å; P260-D290 WeakPolarHBondContact CA-OD1 3.47Å; K261-D290 WeakPolarHBondContact CB-OD2 3.42Å; K261-D290 HydrophobicContact CD-CB 4.4Å; K261-D290 WeakPolarHBondContact CD-OD2 3.26Å; K261-D290 HydrophobicContact CG-CB 4.17Å; K261-D290 WeakPolarHBondContact CG-OD2 3.07Å; K261-D290 PolarHBondContact N-OD1 3.3Å; D290-D292 PolarHBondContact O-N 2.93Å; D290-D292 PolarHBondContact OD1-N 3.41Å; D290-I293 HydrophobicContact CB-CD1 3.84Å; D290-I293 HydrophobicContact CB-CG1 4.01Å; D290-I293 PolarHBondContact O-N 3.43Å; D290-N296 PolarHBondContact O-ND2 3.43Å
291	S	93.9	Very high	90.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.007	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.6	-176.4	59.3	0	0	0	0	113.7	P260 I289	P260-S291 WeakPolarHBondContact CA-OG 3.47Å; P260-S291 WeakPolarHBondContact CB-OG 3.36Å; P260-S291 WeakPolarHBondContact CD-OG 3.44Å; I289-S291 PolarHBondContact O-N 2.9Å; I289-S291 VanDerWaalsContact O-N 3.17Å
292	D	92.9	Very high	90.6	Very high	71 Å²	71	49.2 Å²	49.2	38%	0.38	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-22.9	177.5	-75.6	-24.1	0	0	0	112.7	P260 D290 D294 K307	P260-D292 HydrophobicContact CB-CB 4.48Å; P260-D292 VanDerWaalsContact CB-CG 3.45Å; P260-D292 WeakPolarHBondContact CB-OD2 3.44Å; D290-D292 PolarHBondContact O-N 2.93Å; D290-D292 PolarHBondContact OD1-N 3.41Å; D292-D294 PolarHBondContact O-N 3.2Å; D292-K307 PolarHBondContact O-NZ 2.85Å
293	I	91.4	Very high	90.6	Very high	65 Å²	65	46.8 Å²	46.8	33%	0.333	22%	0.224	S	C	.	.			trans	-71.3	125.8	179.2	-63.1	-179.9	0	0	0	110	D290 D295 N296	D290-I293 HydrophobicContact CB-CD1 3.84Å; D290-I293 HydrophobicContact CB-CG1 4.01Å; D290-I293 PolarHBondContact O-N 3.43Å; I293-D295 VanDerWaalsContact C-N 3.33Å; I293-D295 HydrophobicContact CG2-CB 4.06Å; I293-D295 PolarHBondContact O-N 3.47Å; I293-N296 WeakPolarHBondContact O-CB 3.3Å; I293-N296 PolarHBondContact O-N 2.98Å; I293-N296 VanDerWaalsContact O-N 3.13Å
294	D	87.8	Confident	90.2	Very high	106 Å²	106	43.9 Å²	43.9	57%	0.567	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-66.8	-32.5	-176	-73.5	-29.5	0	0	0	113.6	D292 N296 Q297 K307	D292-D294 PolarHBondContact O-N 3.2Å; D294-N296 PolarHBondContact O-N 3Å; D294-N296 VanDerWaalsContact O-N 3.16Å; D294-Q297 WeakPolarHBondContact O-CB 3.34Å; D294-Q297 WeakPolarHBondContact O-CG 3.47Å; D294-Q297 PolarHBondContact O-N 3.01Å; D294-Q297 PolarHBondContact OD1-NE2 3.24Å; D294-K307 IonicContact OD1-NZ 3.9Å; D294-K307 PolarHBondContact OD1-NZ 2.83Å
295	D	85.9	Confident	89.9	Confident	128 Å²	128	44 Å²	44	68%	0.684	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-61.1	-24.5	175.4	-62.2	-27.6	0	0	0	112.5	I293	I293-D295 VanDerWaalsContact C-N 3.33Å; I293-D295 HydrophobicContact CG2-CB 4.06Å; I293-D295 PolarHBondContact O-N 3.47Å
296	N	89.3	Confident	89.6	Confident	9 Å²	9	50 Å²	50	5%	0.048	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-83.8	-8.6	178.2	-66.9	-24	0	0	0	113.3	I289 D290 I293 D294 R298 I299 L300	I289-N296 HydrophobicContact CG2-CB 3.79Å; I289-N296 WeakPolarHBondContact CG2-ND2 3.49Å; D290-N296 PolarHBondContact O-ND2 3.43Å; I293-N296 WeakPolarHBondContact O-CB 3.3Å; I293-N296 PolarHBondContact O-N 2.98Å; I293-N296 VanDerWaalsContact O-N 3.13Å; D294-N296 PolarHBondContact O-N 3Å; D294-N296 VanDerWaalsContact O-N 3.16Å; N296-R298 VanDerWaalsContact C-N 3.27Å; N296-R298 PolarHBondContact O-N 3.49Å; N296-I299 WeakPolarHBondContact O-CB 3.36Å; N296-I299 PolarHBondContact O-N 3.49Å; N296-L300 HydrophobicContact CB-CD1 4.36Å; N296-L300 VanDerWaalsContact O-CD1 3.23Å; N296-L300 WeakPolarHBondContact O-CD1 3.29Å; N296-L300 PolarHBondContact O-N 3.29Å
297	Q	86.1	Confident	89.2	Confident	75 Å²	75	53.1 Å²	53.1	35%	0.35	26%	0.261	S	S	.	.	H	α-helix	trans	-57.9	-38.3	-176.2	-74.8	-165.1	26.1	0	0	113	D294 I299 L300 E301 K307	D294-Q297 WeakPolarHBondContact O-CB 3.34Å; D294-Q297 WeakPolarHBondContact O-CG 3.47Å; D294-Q297 PolarHBondContact O-N 3.01Å; D294-Q297 PolarHBondContact OD1-NE2 3.24Å; Q297-I299 PolarHBondContact O-N 3.34Å; Q297-L300 WeakPolarHBondContact O-CB 3.49Å; Q297-L300 PolarHBondContact O-N 3.44Å; Q297-L300 VanDerWaalsContact O-N 3.11Å; Q297-E301 WeakPolarHBondContact O-CG 3.44Å; Q297-E301 PolarHBondContact O-N 3.5Å; Q297-K307 VanDerWaalsContact NE2-CE 3.28Å
298	R	83.5	Confident	88.8	Confident	168 Å²	168	60.4 Å²	60.4	63%	0.634	30%	0.295	S	S	*	.	H	α-helix	trans	-60.1	-32.1	177.1	-65.9	-177.9	-177.8	170	3.2	112.6	N296 F302	N296-R298 VanDerWaalsContact C-N 3.27Å; N296-R298 PolarHBondContact O-N 3.49Å; R298-F302 WeakPolarHBondContact O-CB 3.29Å; R298-F302 PolarHBondContact O-N 3.41Å
299	I	88.1	Confident	88.5	Confident	34 Å²	34	63.7 Å²	63.7	17%	0.174	31%	0.313	C	S	.	.	H	α-helix	trans	-74.5	-43	178.1	-52.8	175.3	0	0	0	109.3	F238 F258 I289 N296 Q297 E301 F302 F303	F238-I299 HydrophobicContact CD1-CD1 3.68Å; F238-I299 HydrophobicContact CE1-CD1 3.12Å; F238-I299 HydrophobicContact CE2-CD1 4.14Å; F238-I299 HydrophobicContact CG-CD1 4.4Å; F238-I299 HydrophobicContact CZ-CD1 3.38Å; F258-I299 HydrophobicContact CE1-CG2 3.96Å; F258-I299 HydrophobicContact CZ-CG2 4.18Å; I289-I299 HydrophobicContact CD1-CD1 4.3Å; I289-I299 HydrophobicContact CD1-CG2 3.73Å; N296-I299 WeakPolarHBondContact O-CB 3.36Å; N296-I299 PolarHBondContact O-N 3.49Å; Q297-I299 PolarHBondContact O-N 3.34Å; I299-E301 VanDerWaalsContact C-N 3.31Å; I299-E301 PolarHBondContact O-N 3.4Å; I299-F302 WeakPolarHBondContact O-CB 3.42Å; I299-F302 PolarHBondContact O-N 3.4Å; I299-F303 HydrophobicContact CG2-CD2 3.97Å; I299-F303 HydrophobicContact CG2-CE2 3.99Å; I299-F303 VanDerWaalsContact O-CD2 3.29Å; I299-F303 WeakPolarHBondContact O-CD2 3.24Å; I299-F303 PolarHBondContact O-N 2.94Å; I299-F303 VanDerWaalsContact O-N 3.14Å
300	L	88.8	Confident	88.3	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-55.9	-48.7	173.3	-84.1	77.4	0	0	0	110.8	F258 N296 Q297 F302 F303 G304 L305 K307	F258-L300 HydrophobicContact CD1-CD1 3.65Å; F258-L300 HydrophobicContact CD1-CG 3.82Å; F258-L300 HydrophobicContact CE1-CD1 3.95Å; F258-L300 HydrophobicContact CE1-CG 4.15Å; N296-L300 HydrophobicContact CB-CD1 4.36Å; N296-L300 VanDerWaalsContact O-CD1 3.23Å; N296-L300 WeakPolarHBondContact O-CD1 3.29Å; N296-L300 PolarHBondContact O-N 3.29Å; Q297-L300 WeakPolarHBondContact O-CB 3.49Å; Q297-L300 PolarHBondContact O-N 3.44Å; Q297-L300 VanDerWaalsContact O-N 3.11Å; L300-F302 PolarHBondContact O-N 3.36Å; L300-F303 CarbonylContact O-C 3.6Å; L300-F303 WeakPolarHBondContact O-CA 3.42Å; L300-F303 PolarHBondContact O-N 3.04Å; L300-G304 PolarHBondContact O-N 3.14Å; L300-L305 CarbonylContact C-O 3.58Å; L300-L305 HydrophobicContact CB-CB 4.15Å; L300-L305 WeakPolarHBondContact CB-O 3Å; L300-L305 HydrophobicContact CG-CB 4.31Å; L300-L305 PolarHBondContact O-N 3.46Å; L300-K307 HydrophobicContact CD2-CG 4.38Å
301	E	84.5	Confident	88.3	Confident	97 Å²	97	66 Å²	66	45%	0.453	33%	0.33	S	S	.	.	H	α-helix	trans	-58.4	-44.5	178	-71.3	172.6	172.4	0	0	112.3	Q297 I299 F303 G304	Q297-E301 WeakPolarHBondContact O-CG 3.44Å; Q297-E301 PolarHBondContact O-N 3.5Å; I299-E301 VanDerWaalsContact C-N 3.31Å; I299-E301 PolarHBondContact O-N 3.4Å; E301-F303 PolarHBondContact O-N 3.08Å; E301-G304 WeakPolarHBondContact O-CA 3.31Å; E301-G304 PolarHBondContact O-N 2.94Å
302	F	83	Confident	88.3	Confident	55 Å²	55	66.5 Å²	66.5	24%	0.241	33%	0.334	C	S	.	.	H	α-helix	trans	-58.9	-30.8	176.2	178.5	-102.6	0	0	0	113	R298 I299 L300 I316 M322 K324	R298-F302 WeakPolarHBondContact O-CB 3.29Å; R298-F302 PolarHBondContact O-N 3.41Å; I299-F302 WeakPolarHBondContact O-CB 3.42Å; I299-F302 PolarHBondContact O-N 3.4Å; L300-F302 PolarHBondContact O-N 3.36Å; F302-I316 HydrophobicContact CE1-CD1 3.66Å; F302-I316 HydrophobicContact CZ-CD1 4.16Å; F302-M322 HydrophobicContact CZ-SD 4.28Å; F302-K324 HydrophobicContact CE1-CD 4.42Å; F302-K324 VanDerWaalsContact CZ-CE 3.43Å; F302-K324 VanDerWaalsContact O-CE 3.26Å; F302-K324 WeakPolarHBondContact O-CE 3.43Å; F302-K324 PolarHBondContact O-NZ 3.04Å
303	F	85.6	Confident	88.5	Confident	7 Å²	7	63.5 Å²	63.5	3%	0.031	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	7.5	174.3	-77.3	-79	0	0	0	114.1	L256 F258 I299 L300 E301 L305 R314 I316 K324	L256-F303 HydrophobicContact CD1-CE1 4.33Å; L256-F303 HydrophobicContact CD1-CE2 4.37Å; L256-F303 HydrophobicContact CD1-CZ 3.74Å; L256-F303 HydrophobicContact CD2-CE2 3.9Å; L256-F303 HydrophobicContact CD2-CZ 4.1Å; F258-F303 HydrophobicContact CE1-CD2 4.47Å; F258-F303 HydrophobicContact CE2-CB 4.36Å; F258-F303 HydrophobicContact CE2-CD2 4.24Å; F258-F303 HydrophobicContact CE2-CG 4.23Å; F258-F303 HydrophobicContact CZ-CB 4.13Å; F258-F303 AromaticContact CZ-CD2 3.52Å; F258-F303 HydrophobicContact CZ-CD2 3.52Å; F258-F303 HydrophobicContact CZ-CE2 4.11Å; F258-F303 AromaticContact CZ-CG 3.92Å; F258-F303 HydrophobicContact CZ-CG 3.92Å; I299-F303 HydrophobicContact CG2-CD2 3.97Å; I299-F303 HydrophobicContact CG2-CE2 3.99Å; I299-F303 VanDerWaalsContact O-CD2 3.29Å; I299-F303 WeakPolarHBondContact O-CD2 3.24Å; I299-F303 PolarHBondContact O-N 2.94Å; I299-F303 VanDerWaalsContact O-N 3.14Å; L300-F303 CarbonylContact O-C 3.6Å; L300-F303 WeakPolarHBondContact O-CA 3.42Å; L300-F303 PolarHBondContact O-N 3.04Å; E301-F303 PolarHBondContact O-N 3.08Å; F303-L305 VanDerWaalsContact C-N 3.26Å; F303-L305 HydrophobicContact CB-CD1 4.21Å; F303-L305 HydrophobicContact CB-CG 4.45Å; F303-L305 PolarHBondContact O-N 3.28Å; F303-R314 HydrophobicContact CB-CG 4.11Å; F303-R314 HydrophobicContact CD1-CB 3.51Å; F303-R314 HydrophobicContact CD1-CG 3.68Å; F303-R314 HydrophobicContact CE1-CB 3.8Å; F303-R314 HydrophobicContact CE1-CG 4.46Å; F303-R314 HydrophobicContact CG-CB 4.28Å; F303-R314 HydrophobicContact CG-CG 4.15Å; F303-I316 HydrophobicContact CE1-CB 3.98Å; F303-I316 HydrophobicContact CE1-CD1 4.22Å; F303-I316 HydrophobicContact CE1-CG2 4.41Å; F303-I316 HydrophobicContact CZ-CB 3.99Å; F303-I316 HydrophobicContact CZ-CD1 3.92Å; F303-I316 HydrophobicContact CZ-CG2 3.97Å; F303-K324 HydrophobicContact CD1-CD 3.9Å; F303-K324 HydrophobicContact CD1-CG 4.32Å; F303-K324 HydrophobicContact CE1-CD 4.09Å; F303-K324 HydrophobicContact CE1-CG 4.11Å
304	G	81.8	Confident	88.7	Confident	42 Å²	42	61.3 Å²	61.3	43%	0.433	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	33.2	177.6	0	0	0	0	0	112.5	L300 E301 M354	L300-G304 PolarHBondContact O-N 3.14Å; E301-G304 WeakPolarHBondContact O-CA 3.31Å; E301-G304 PolarHBondContact O-N 2.94Å; G304-M354 PolarHBondContact N-SD 3.14Å
305	L	86.5	Confident	89	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.042	28%	0.278	C	S	.	.			trans	-107.3	143.8	177.6	-70	168.8	0	0	0	109.7	F258 L300 F303 D309 A312 R314	F258-L305 HydrophobicContact CB-CD1 4.37Å; F258-L305 HydrophobicContact CD1-CD1 4.3Å; F258-L305 HydrophobicContact CD2-CD1 3.33Å; F258-L305 HydrophobicContact CE1-CD1 4.48Å; F258-L305 HydrophobicContact CE2-CD1 3.58Å; F258-L305 HydrophobicContact CG-CD1 3.73Å; F258-L305 HydrophobicContact CZ-CD1 4.16Å; L300-L305 CarbonylContact C-O 3.58Å; L300-L305 HydrophobicContact CB-CB 4.15Å; L300-L305 WeakPolarHBondContact CB-O 3Å; L300-L305 HydrophobicContact CG-CB 4.31Å; L300-L305 PolarHBondContact O-N 3.46Å; F303-L305 VanDerWaalsContact C-N 3.26Å; F303-L305 HydrophobicContact CB-CD1 4.21Å; F303-L305 HydrophobicContact CB-CG 4.45Å; F303-L305 PolarHBondContact O-N 3.28Å; L305-D309 HydrophobicContact CD2-CB 3.66Å; L305-A312 HydrophobicContact CD1-CB 3.9Å; L305-A312 HydrophobicContact CD2-CB 3.67Å; L305-A312 HydrophobicContact CG-CB 4.48Å; L305-R314 HydrophobicContact CD1-CG 4.23Å
306	K	88	Confident	89.3	Confident	143 Å²	143	50.5 Å²	50.5	62%	0.622	25%	0.247	S	C	*	.			trans	-104.5	168.9	161.6	-56.5	177.8	-178.5	175	0	109.5	E308 D309	K306-E308 WeakPolarHBondContact CB-OE2 3.42Å; K306-E308 PolarHBondContact O-N 2.81Å; K306-D309 WeakPolarHBondContact CB-OD2 3.48Å; K306-D309 PolarHBondContact N-OD2 2.91Å; K306-D309 WeakPolarHBondContact O-CB 2.99Å; K306-D309 PolarHBondContact O-N 3.1Å
307	K	89.5	Confident	89.3	Confident	69 Å²	69	50.8 Å²	50.8	30%	0.3	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-58.3	-34.3	176.4	-69.6	-166	179.1	-171.7	0	111.3	D292 D294 Q297 L300 D309 C310	D292-K307 PolarHBondContact O-NZ 2.85Å; D294-K307 IonicContact OD1-NZ 3.9Å; D294-K307 PolarHBondContact OD1-NZ 2.83Å; Q297-K307 VanDerWaalsContact NE2-CE 3.28Å; L300-K307 HydrophobicContact CD2-CG 4.38Å; K307-D309 VanDerWaalsContact C-N 3.27Å; K307-D309 PolarHBondContact O-N 3.25Å; K307-C310 WeakPolarHBondContact O-CB 3.39Å; K307-C310 PolarHBondContact O-N 2.86Å
308	E	88.8	Confident	89.1	Confident	155 Å²	155	48.8 Å²	48.8	72%	0.724	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-72.8	-19.1	-179.9	-53.7	74.1	-150.6	0	0	113.4	K306	K306-E308 WeakPolarHBondContact CB-OE2 3.42Å; K306-E308 PolarHBondContact O-N 2.81Å
309	D	89.6	Confident	88.9	Confident	84 Å²	84	47.3 Å²	47.3	45%	0.449	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-80.9	-7.6	175.2	-59.8	-50.9	0	0	0	112	L305 K306 K307	L305-D309 HydrophobicContact CD2-CB 3.66Å; K306-D309 WeakPolarHBondContact CB-OD2 3.48Å; K306-D309 PolarHBondContact N-OD2 2.91Å; K306-D309 WeakPolarHBondContact O-CB 2.99Å; K306-D309 PolarHBondContact O-N 3.1Å; K307-D309 VanDerWaalsContact C-N 3.27Å; K307-D309 PolarHBondContact O-N 3.25Å
310	C	93.4	Very high	87.7	Confident	20 Å²	20	52.8 Å²	52.8	14%	0.135	27%	0.271	C	S	.	.			trans	-87	141.3	-179.1	-62.3	0	0	0	0	111.5	K307	K307-C310 WeakPolarHBondContact O-CB 3.39Å; K307-C310 PolarHBondContact O-N 2.86Å
311	P	95.3	Very high	86.6	Confident	45 Å²	45	56.8 Å²	56.8	29%	0.292	29%	0.289	S	S	.	.	S	Bend	cis	-82.5	147.3	9.4	37.6	-41.4	0	0	0	113.8	F258 L259 K269 I332	F258-P311 CarbonylContact O-C 3.53Å; F258-P311 WeakPolarHBondContact O-CA 3.45Å; F258-P311 WeakPolarHBondContact O-CB 3.41Å; L259-P311 HydrophobicContact CD1-CB 3.8Å; K269-P311 HydrophobicContact CD-CB 4.35Å; K269-P311 HydrophobicContact CD-CG 4.11Å; P311-I332 HydrophobicContact CB-CD1 3.6Å; P311-I332 HydrophobicContact CG-CD1 3.77Å
312	A	95.4	Very high	86.3	Confident	11 Å²	11	57.8 Å²	57.8	9%	0.091	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	155.5	-178.4	0	0	0	0	0	111.8	M257 F258 L305	M257-A312 CarbonylContact C-O 3.6Å; M257-A312 WeakPolarHBondContact CA-O 3.21Å; F258-A312 PolarHBondContact N-O 2.57Å; F258-A312 PolarHBondContact O-N 2.85Å; L305-A312 HydrophobicContact CD1-CB 3.9Å; L305-A312 HydrophobicContact CD2-CB 3.67Å; L305-A312 HydrophobicContact CG-CB 4.48Å
313	I	96.5	Very high	86.2	Confident	9 Å²	9	56.7 Å²	56.7	5%	0.046	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.5	173.1	-68.4	-179.2	0	0	0	109.7	I255 L256 M257 F273 P327 I332 I337 F340	I255-I313 HydrophobicContact CD1-CG2 3.7Å; I255-I313 HydrophobicContact CG1-CG2 3.74Å; L256-I313 CarbonylContact O-C 3.55Å; L256-I313 VanDerWaalsContact O-CA 3.32Å; L256-I313 WeakPolarHBondContact O-CA 3.49Å; M257-I313 HydrophobicContact CB-CG1 4.21Å; M257-I313 HydrophobicContact CG-CG1 4.13Å; F273-I313 HydrophobicContact CD2-CD1 4.31Å; F273-I313 HydrophobicContact CE2-CD1 4.38Å; I313-P327 HydrophobicContact CB-CG 4.29Å; I313-P327 WeakPolarHBondContact O-CD 3.31Å; I313-I332 HydrophobicContact CD1-CG1 4.18Å; I313-I332 HydrophobicContact CD1-CG2 4.22Å; I313-I332 HydrophobicContact CG1-CD1 4.46Å; I313-I332 HydrophobicContact CG1-CG1 4.4Å; I313-I337 HydrophobicContact CD1-CD1 3.88Å; I313-I337 HydrophobicContact CD1-CG1 3.57Å; I313-F340 HydrophobicContact CG2-CD1 4.15Å; I313-F340 HydrophobicContact CG2-CE1 4Å
314	R	94.9	Very high	86.3	Confident	19 Å²	19	56.7 Å²	56.7	7%	0.072	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	152.2	169.4	-66.2	-67.4	-176.1	-80.3	-2.5	109.5	I255 L256 F258 F303 L305 Y325	I255-R314 CarbonylContact C-O 3.44Å; I255-R314 WeakPolarHBondContact CA-O 3.4Å; L256-R314 PolarHBondContact N-O 2.86Å; L256-R314 PolarHBondContact O-N 3.41Å; F258-R314 HydrophobicContact CE2-CB 4.21Å; F258-R314 HydrophobicContact CE2-CG 4.11Å; F303-R314 HydrophobicContact CB-CG 4.11Å; F303-R314 HydrophobicContact CD1-CB 3.51Å; F303-R314 HydrophobicContact CD1-CG 3.68Å; F303-R314 HydrophobicContact CE1-CB 3.8Å; F303-R314 HydrophobicContact CE1-CG 4.46Å; F303-R314 HydrophobicContact CG-CB 4.28Å; F303-R314 HydrophobicContact CG-CG 4.15Å; L305-R314 HydrophobicContact CD1-CG 4.23Å; R314-Y325 WeakPolarHBondContact CA-O 3.44Å
315	L	94.6	Very high	86.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.1	170	-171.7	159.6	0	0	0	108.3	H254 I255 I284 K324 Y325 F340 F344	H254-L315 CarbonylContact O-C 3.59Å; H254-L315 VanDerWaalsContact O-CA 3.29Å; H254-L315 WeakPolarHBondContact O-CA 3.32Å; I255-L315 HydrophobicContact CB-CG 4.48Å; I284-L315 HydrophobicContact CD1-CD1 4.37Å; L315-K324 CarbonylContact O-C 3.35Å; L315-K324 WeakPolarHBondContact O-CA 3.47Å; L315-Y325 HydrophobicContact CD2-CD2 3.7Å; L315-Y325 HydrophobicContact CD2-CE2 4.29Å; L315-Y325 HydrophobicContact CD2-CG 4.48Å; L315-Y325 PolarHBondContact N-O 2.84Å; L315-Y325 PolarHBondContact O-N 2.89Å; L315-F340 HydrophobicContact CB-CE1 3.67Å; L315-F340 HydrophobicContact CB-CZ 3.83Å; L315-F340 HydrophobicContact CD1-CE1 4.3Å; L315-F344 HydrophobicContact CD1-CB 3.77Å; L315-F344 HydrophobicContact CD1-CD1 3.63Å; L315-F344 HydrophobicContact CD1-CD2 4.04Å; L315-F344 HydrophobicContact CD1-CE1 4.27Å; L315-F344 HydrophobicContact CD1-CG 3.5Å; L315-F344 VanDerWaalsContact CD1-CG 3.5Å; L315-F344 HydrophobicContact CD2-CD1 3.93Å; L315-F344 HydrophobicContact CD2-CD2 3.38Å; L315-F344 HydrophobicContact CD2-CE1 3.87Å; L315-F344 HydrophobicContact CD2-CE2 3.31Å; L315-F344 HydrophobicContact CD2-CG 3.7Å; L315-F344 HydrophobicContact CD2-CZ 3.57Å; L315-F344 HydrophobicContact CG-CD1 4.43Å; L315-F344 HydrophobicContact CG-CD2 4.38Å; L315-F344 HydrophobicContact CG-CG 4.29Å
316	I	91.3	Very high	86.9	Confident	6 Å²	6	60.9 Å²	60.9	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144	177.2	-172	164.8	0	0	0	110.9	H254 L256 F302 F303 L318 M322 T323 K324	H254-I316 HydrophobicContact CB-CG2 3.87Å; H254-I316 PolarHBondContact N-O 3.38Å; H254-I316 PolarHBondContact O-N 3.08Å; L256-I316 HydrophobicContact CD1-CG2 3.63Å; F302-I316 HydrophobicContact CE1-CD1 3.66Å; F302-I316 HydrophobicContact CZ-CD1 4.16Å; F303-I316 HydrophobicContact CE1-CB 3.98Å; F303-I316 HydrophobicContact CE1-CD1 4.22Å; F303-I316 HydrophobicContact CE1-CG2 4.41Å; F303-I316 HydrophobicContact CZ-CB 3.99Å; F303-I316 HydrophobicContact CZ-CD1 3.92Å; F303-I316 HydrophobicContact CZ-CG2 3.97Å; I316-L318 HydrophobicContact CD1-CD2 4.01Å; I316-L318 HydrophobicContact CG1-CD2 4.15Å; I316-L318 HydrophobicContact CG2-CD2 4.49Å; I316-M322 HydrophobicContact CD1-CB 4.49Å; I316-T323 VanDerWaalsContact CA-O 3.31Å; I316-T323 WeakPolarHBondContact CA-O 3.35Å; I316-K324 HydrophobicContact CD1-CG 4.16Å; I316-K324 HydrophobicContact CG1-CG 4.32Å
317	T	89.9	Confident	86.9	Confident	15 Å²	15	55.2 Å²	55.2	9%	0.092	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139	163	53.6	0	0	0	0	109.9	K252 E321 M322 T323 Y325 F344	K252-T317 CarbonylContact O-C 3.57Å; T317-E321 PolarHBondContact OG1-O 2.85Å; T317-M322 VanDerWaalsContact O-CA 3.27Å; T317-M322 WeakPolarHBondContact O-CA 3.46Å; T317-T323 PolarHBondContact N-O 2.67Å; T317-T323 WeakPolarHBondContact OG1-CB 3.33Å; T317-T323 PolarHBondContact OG1-N 3.03Å; T317-T323 PolarHBondContact OG1-O 2.87Å; T317-Y325 HydrophobicContact CG2-CE2 4.24Å; T317-F344 HydrophobicContact CG2-CE2 3.69Å; T317-F344 HydrophobicContact CG2-CZ 3.53Å
318	L	82.6	Confident	86.7	Confident	34 Å²	34	61.6 Å²	61.6	18%	0.178	31%	0.307	C	S	.	.			trans	-116.2	48.5	179.3	-58.7	174.9	0	0	0	110.4	F247 K252 H254 I316 M322	F247-L318 HydrophobicContact CD1-CD1 3.79Å; F247-L318 HydrophobicContact CE1-CD1 4.17Å; K252-L318 HydrophobicContact CB-CB 4.36Å; K252-L318 WeakPolarHBondContact O-CB 3.41Å; K252-L318 PolarHBondContact O-N 2.84Å; H254-L318 WeakPolarHBondContact CE1-CD1 3.21Å; H254-L318 WeakPolarHBondContact ND1-CD1 3.31Å; I316-L318 HydrophobicContact CD1-CD2 4.01Å; I316-L318 HydrophobicContact CG1-CD2 4.15Å; I316-L318 HydrophobicContact CG2-CD2 4.49Å; L318-M322 HydrophobicContact CD2-CE 4.11Å; L318-M322 HydrophobicContact CD2-CG 4.29Å; L318-M322 HydrophobicContact CD2-SD 4.1Å
319	E	78.1	Confident	86.4	Confident	137 Å²	137	56.5 Å²	56.5	64%	0.64	29%	0.289	S	S	*	.	S	Bend	trans	-93.8	-162.1	171.1	-61.7	-169.6	175.5	0	0	109.5	K252 E321	K252-E319 HydrophobicContact CB-CG 4.22Å; E319-E321 PolarHBondContact O-N 2.86Å; E319-E321 VanDerWaalsContact O-N 3.11Å
320	D	63.9	Low	86.3	Confident	149 Å²	149	57.7 Å²	57.7	80%	0.797	30%	0.304	S	S	*	.	S	Bend	trans	-53	-32.6	175.7	-58.9	-25	0	0	0	111.3	H436	D320-H436 PolarHBondContact O-CE1 2.91Å; D320-H436 PolarHBondContact O-ND1 2.84Å
321	E	66	Low	86.2	Confident	87 Å²	87	61.6 Å²	61.6	41%	0.407	32%	0.323	S	S	.	.	S	Bend	trans	-112.1	118.9	171.5	-70.5	175.3	-152.1	0	0	112	T317 E319 T323 K434	T317-E321 PolarHBondContact OG1-O 2.85Å; E319-E321 PolarHBondContact O-N 2.86Å; E319-E321 VanDerWaalsContact O-N 3.11Å; E321-T323 PolarHBondContact O-N 2.92Å; E321-K434 HydrophobicContact CG-CD 4.4Å; E321-K434 WeakPolarHBondContact OE1-CD 3.37Å; E321-K434 WeakPolarHBondContact OE1-CE 3.07Å; E321-K434 IonicContact OE1-NZ 3.09Å; E321-K434 PolarHBondContact OE1-NZ 3.06Å
322	M	76.6	Confident	86.2	Confident	118 Å²	118	60.3 Å²	60.3	58%	0.581	31%	0.314	S	S	*	.			trans	-78.2	103.6	170.8	-68.2	-170.2	-170.6	0	0	110.5	F302 I316 T317 L318	F302-M322 HydrophobicContact CZ-SD 4.28Å; I316-M322 HydrophobicContact CD1-CB 4.49Å; T317-M322 VanDerWaalsContact O-CA 3.27Å; T317-M322 WeakPolarHBondContact O-CA 3.46Å; L318-M322 HydrophobicContact CD2-CE 4.11Å; L318-M322 HydrophobicContact CD2-CG 4.29Å; L318-M322 HydrophobicContact CD2-SD 4.1Å
323	T	82.8	Confident	86.3	Confident	32 Å²	32	62.3 Å²	62.3	20%	0.196	33%	0.325	C	S	.	.			trans	-109	128.7	179.3	-56	0	0	0	0	110.5	I316 T317 E321 Y325 A351	I316-T323 VanDerWaalsContact CA-O 3.31Å; I316-T323 WeakPolarHBondContact CA-O 3.35Å; T317-T323 PolarHBondContact N-O 2.67Å; T317-T323 WeakPolarHBondContact OG1-CB 3.33Å; T317-T323 PolarHBondContact OG1-N 3.03Å; T317-T323 PolarHBondContact OG1-O 2.87Å; E321-T323 PolarHBondContact O-N 2.92Å; T323-Y325 HydrophobicContact CG2-CD2 4.44Å; T323-Y325 HydrophobicContact CG2-CE1 4.16Å; T323-Y325 HydrophobicContact CG2-CE2 3.67Å; T323-Y325 WeakPolarHBondContact CG2-OH 3.48Å; T323-A351 HydrophobicContact CG2-CB 3.59Å
324	K	87.3	Confident	86.3	Confident	8 Å²	8	62.6 Å²	62.6	4%	0.035	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	142.6	179.1	-58.6	178.3	-157.7	136.8	0	111	F302 F303 L315 I316 H352 M354 E429	F302-K324 HydrophobicContact CE1-CD 4.42Å; F302-K324 VanDerWaalsContact CZ-CE 3.43Å; F302-K324 VanDerWaalsContact O-CE 3.26Å; F302-K324 WeakPolarHBondContact O-CE 3.43Å; F302-K324 PolarHBondContact O-NZ 3.04Å; F303-K324 HydrophobicContact CD1-CD 3.9Å; F303-K324 HydrophobicContact CD1-CG 4.32Å; F303-K324 HydrophobicContact CE1-CD 4.09Å; F303-K324 HydrophobicContact CE1-CG 4.11Å; L315-K324 CarbonylContact O-C 3.35Å; L315-K324 WeakPolarHBondContact O-CA 3.47Å; I316-K324 HydrophobicContact CD1-CG 4.16Å; I316-K324 HydrophobicContact CG1-CG 4.32Å; K324-H352 PolarHBondContact O-N 3.16Å; K324-M354 HydrophobicContact CD-SD 4.21Å; K324-E429 WeakPolarHBondContact CD-OE1 3.45Å; K324-E429 WeakPolarHBondContact CE-OE1 3.46Å; K324-E429 IonicContact NZ-OE1 2.67Å; K324-E429 PolarHBondContact NZ-OE1 3.18Å
325	Y	89.7	Confident	86.4	Confident	37 Å²	37	65 Å²	65	15%	0.145	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.5	178.3	-55.5	-92.7	0	0	0	109.9	R314 L315 T317 T323 F344 L349 K350	R314-Y325 WeakPolarHBondContact CA-O 3.44Å; L315-Y325 HydrophobicContact CD2-CD2 3.7Å; L315-Y325 HydrophobicContact CD2-CE2 4.29Å; L315-Y325 HydrophobicContact CD2-CG 4.48Å; L315-Y325 PolarHBondContact N-O 2.84Å; L315-Y325 PolarHBondContact O-N 2.89Å; T317-Y325 HydrophobicContact CG2-CE2 4.24Å; T323-Y325 HydrophobicContact CG2-CD2 4.44Å; T323-Y325 HydrophobicContact CG2-CE1 4.16Å; T323-Y325 HydrophobicContact CG2-CE2 3.67Å; T323-Y325 WeakPolarHBondContact CG2-OH 3.48Å; Y325-F344 HydrophobicContact CD2-CD2 4.12Å; Y325-F344 HydrophobicContact CD2-CE2 4.1Å; Y325-F344 HydrophobicContact CE2-CD2 4Å; Y325-F344 AromaticContact CE2-CE2 3.66Å; Y325-F344 HydrophobicContact CE2-CE2 3.66Å; Y325-L349 HydrophobicContact CD1-CB 3.6Å; Y325-L349 HydrophobicContact CD1-CD1 4.1Å; Y325-L349 HydrophobicContact CE1-CB 3.96Å; Y325-L349 HydrophobicContact CG-CD1 4.24Å; Y325-K350 WeakPolarHBondContact CD1-O 3.27Å
326	K	89.8	Confident	86.5	Confident	101 Å²	101	66.1 Å²	66.1	44%	0.439	36%	0.36	S	S	.	.			trans	-120.6	136.5	177.1	178.5	-177.1	172.5	-178.4	0	108.7	H352	K326-H352 HydrophobicContact CB-CB 3.93Å
327	P	89.6	Confident	86.8	Confident	24 Å²	24	65.9 Å²	65.9	16%	0.156	36%	0.359	C	S	.	.			trans	-66.3	146.8	174	28.9	-35.2	0	0	0	110.9	I313 S329 F340	I313-P327 HydrophobicContact CB-CG 4.29Å; I313-P327 WeakPolarHBondContact O-CD 3.31Å; P327-S329 VanDerWaalsContact C-N 3.29Å; P327-S329 WeakPolarHBondContact CB-O 3.07Å; P327-S329 WeakPolarHBondContact CG-O 3.49Å; P327-S329 PolarHBondContact O-N 3.41Å; P327-F340 HydrophobicContact CB-CB 4.44Å; P327-F340 HydrophobicContact CB-CD1 4.18Å; P327-F340 HydrophobicContact CB-CD2 3.86Å; P327-F340 HydrophobicContact CB-CE1 4.4Å; P327-F340 HydrophobicContact CB-CE2 4.09Å; P327-F340 HydrophobicContact CB-CG 3.92Å; P327-F340 HydrophobicContact CB-CZ 4.36Å
328	E	83.6	Confident	87.2	Confident	202 Å²	202	68.4 Å²	68.4	94%	0.944	37%	0.371	S	S	*	.	S	Bend	trans	-67	-33.2	175.6	-65.4	-170	162.9	0	0	112
329	S	84.1	Confident	87.8	Confident	48 Å²	48	72.9 Å²	72.9	34%	0.336	39%	0.391	S	S	.	.			trans	-97.6	145.5	174.4	-178.4	0	0	0	0	111.6	P327 D331	P327-S329 VanDerWaalsContact C-N 3.29Å; P327-S329 WeakPolarHBondContact CB-O 3.07Å; P327-S329 WeakPolarHBondContact CG-O 3.49Å; P327-S329 PolarHBondContact O-N 3.41Å; S329-D331 VanDerWaalsContact C-N 3.3Å; S329-D331 WeakPolarHBondContact OG-CB 3.36Å; S329-D331 VanDerWaalsContact OG-CG 3.31Å; S329-D331 PolarHBondContact OG-N 3.45Å; S329-D331 PolarHBondContact OG-OD2 3.44Å
330	S	87.4	Confident	88.7	Confident	109 Å²	109	66.8 Å²	66.8	76%	0.762	36%	0.362	S	S	*	.			trans	-83.4	-4.9	169	54.1	0	0	0	0	113.4	I332	S330-I332 PolarHBondContact O-N 3.26Å
331	D	90.9	Very high	90.3	Very high	102 Å²	102	59.7 Å²	59.7	55%	0.545	33%	0.325	S	S	.	.			trans	-69.3	127.6	-177.8	-63.5	-28	0	0	0	111	S329 T333 S336	S329-D331 VanDerWaalsContact C-N 3.3Å; S329-D331 WeakPolarHBondContact OG-CB 3.36Å; S329-D331 VanDerWaalsContact OG-CG 3.31Å; S329-D331 PolarHBondContact OG-N 3.45Å; S329-D331 PolarHBondContact OG-OD2 3.44Å; D331-T333 PolarHBondContact O-N 2.9Å; D331-S336 WeakPolarHBondContact O-CB 3.34Å; D331-S336 PolarHBondContact O-OG 3.26Å
332	I	94.9	Very high	91.7	Very high	19 Å²	19	58 Å²	58	10%	0.097	32%	0.32	C	S	.	.			trans	-101.9	81.7	176.2	-59	179.4	0	0	0	108.1	M257 K269 P311 I313 S330 I337	M257-I332 HydrophobicContact SD-CG2 3.88Å; K269-I332 HydrophobicContact CB-CG2 4.05Å; K269-I332 HydrophobicContact CD-CD1 4.35Å; K269-I332 HydrophobicContact CG-CB 4.34Å; K269-I332 HydrophobicContact CG-CG2 4Å; P311-I332 HydrophobicContact CB-CD1 3.6Å; P311-I332 HydrophobicContact CG-CD1 3.77Å; I313-I332 HydrophobicContact CD1-CG1 4.18Å; I313-I332 HydrophobicContact CD1-CG2 4.22Å; I313-I332 HydrophobicContact CG1-CD1 4.46Å; I313-I332 HydrophobicContact CG1-CG1 4.4Å; S330-I332 PolarHBondContact O-N 3.26Å; I332-I337 HydrophobicContact CG2-CD1 4.16Å
333	T	97.1	Very high	92.6	Very high	53 Å²	53	55 Å²	55	33%	0.325	31%	0.306	S	S	.	.	S	Bend	trans	-128	156	175.5	70.1	0	0	0	0	109.3	D331 A335 S336 I337	D331-T333 PolarHBondContact O-N 2.9Å; T333-A335 PolarHBondContact O-N 3.02Å; T333-A335 VanDerWaalsContact O-N 3.17Å; T333-S336 PolarHBondContact N-OG 3.43Å; T333-S336 VanDerWaalsContact N-OG 3.07Å; T333-S336 PolarHBondContact O-N 3.32Å; T333-S336 PolarHBondContact O-OG 3.19Å; T333-S336 PolarHBondContact OG1-N 3.37Å; T333-S336 PolarHBondContact OG1-OG 2.86Å; T333-I337 VanDerWaalsContact O-CD1 3.29Å; T333-I337 WeakPolarHBondContact O-CD1 3.39Å; T333-I337 WeakPolarHBondContact O-CG1 3.5Å; T333-I337 PolarHBondContact O-N 3.42Å
334	A	97.2	Very high	93.2	Very high	14 Å²	14	54.7 Å²	54.7	12%	0.116	30%	0.302	C	S	.	.	H	α-helix	trans	-54.7	-39.4	177.9	0	0	0	0	0	111.9	H272 K275 I338	H272-A334 PolarHBondContact ND1-N 2.99Å; K275-A334 HydrophobicContact CB-CB 3.99Å; K275-A334 HydrophobicContact CG-CB 3.94Å; A334-I338 WeakPolarHBondContact O-CB 3.41Å; A334-I338 VanDerWaalsContact O-CD1 3.28Å; A334-I338 WeakPolarHBondContact O-CD1 3.49Å; A334-I338 WeakPolarHBondContact O-CG1 3.29Å; A334-I338 PolarHBondContact O-N 2.85Å
335	A	96.9	Very high	93.5	Very high	70 Å²	70	57.6 Å²	57.6	58%	0.579	32%	0.32	S	S	*	.	H	α-helix	trans	-65.9	-48	179.9	0	0	0	0	0	112.6	T333 I337 I338 E339	T333-A335 PolarHBondContact O-N 3.02Å; T333-A335 VanDerWaalsContact O-N 3.17Å; A335-I337 VanDerWaalsContact C-N 3.32Å; A335-I337 PolarHBondContact O-N 3.16Å; A335-I338 PolarHBondContact O-N 2.92Å; A335-E339 WeakPolarHBondContact O-CB 3.39Å; A335-E339 PolarHBondContact O-N 2.68Å
336	S	96.6	Very high	93.7	Very high	23 Å²	23	60.9 Å²	60.9	16%	0.161	34%	0.337	C	S	.	.	H	α-helix	trans	-65	-37.2	179.5	56	0	0	0	0	112.2	D331 T333 F340	D331-S336 WeakPolarHBondContact O-CB 3.34Å; D331-S336 PolarHBondContact O-OG 3.26Å; T333-S336 PolarHBondContact N-OG 3.43Å; T333-S336 VanDerWaalsContact N-OG 3.07Å; T333-S336 PolarHBondContact O-N 3.32Å; T333-S336 PolarHBondContact O-OG 3.19Å; T333-S336 PolarHBondContact OG1-N 3.37Å; T333-S336 PolarHBondContact OG1-OG 2.86Å; S336-F340 WeakPolarHBondContact O-CB 3.44Å; S336-F340 PolarHBondContact O-N 2.65Å
337	I	97.7	Very high	93.7	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-69.6	-44.2	177.6	-59.3	160.3	0	0	0	110.8	I255 F273 A276 F286 I313 I332 T333 A335 E339 F340 C341	I255-I337 HydrophobicContact CD1-CG2 3.94Å; F273-I337 HydrophobicContact CB-CD1 4.41Å; F273-I337 HydrophobicContact CD2-CD1 3.97Å; F273-I337 HydrophobicContact CD2-CG2 4.41Å; A276-I337 HydrophobicContact CB-CB 3.71Å; A276-I337 HydrophobicContact CB-CG2 3.47Å; A276-I337 VanDerWaalsContact CB-CG2 3.47Å; F286-I337 HydrophobicContact CE1-CG2 3.91Å; F286-I337 HydrophobicContact CZ-CG2 4.41Å; I313-I337 HydrophobicContact CD1-CD1 3.88Å; I313-I337 HydrophobicContact CD1-CG1 3.57Å; I332-I337 HydrophobicContact CG2-CD1 4.16Å; T333-I337 VanDerWaalsContact O-CD1 3.29Å; T333-I337 WeakPolarHBondContact O-CD1 3.39Å; T333-I337 WeakPolarHBondContact O-CG1 3.5Å; T333-I337 PolarHBondContact O-N 3.42Å; A335-I337 VanDerWaalsContact C-N 3.32Å; A335-I337 PolarHBondContact O-N 3.16Å; I337-E339 VanDerWaalsContact C-N 3.33Å; I337-E339 PolarHBondContact O-N 2.69Å; I337-F340 PolarHBondContact O-N 2.85Å; I337-C341 WeakPolarHBondContact O-CB 3.29Å; I337-C341 PolarHBondContact O-N 2.96Å; I337-C341 PolarHBondContact O-SG 2.93Å; I337-C341 VanDerWaalsContact O-SG 3.42Å
338	I	97.3	Very high	93.7	Very high	67 Å²	67	64.3 Å²	64.3	34%	0.344	37%	0.368	S	S	.	.	H	α-helix	trans	-60.8	-44.2	176.6	-71.5	163.5	0	0	0	110.6	A276 F280 A334 A335 C341 T342	A276-I338 HydrophobicContact CB-CG1 3.8Å; F280-I338 HydrophobicContact CE2-CB 4.38Å; F280-I338 HydrophobicContact CE2-CG1 4.19Å; F280-I338 HydrophobicContact CE2-CG2 4.32Å; F280-I338 HydrophobicContact CZ-CG2 4.29Å; A334-I338 WeakPolarHBondContact O-CB 3.41Å; A334-I338 VanDerWaalsContact O-CD1 3.28Å; A334-I338 WeakPolarHBondContact O-CD1 3.49Å; A334-I338 WeakPolarHBondContact O-CG1 3.29Å; A334-I338 PolarHBondContact O-N 2.85Å; A335-I338 PolarHBondContact O-N 2.92Å; I338-C341 PolarHBondContact O-N 3.5Å; I338-T342 VanDerWaalsContact O-CB 3.31Å; I338-T342 WeakPolarHBondContact O-CB 3.25Å; I338-T342 PolarHBondContact O-N 3.18Å; I338-T342 PolarHBondContact O-OG1 3.3Å
339	E	96.5	Very high	93.8	Very high	128 Å²	128	56.2 Å²	56.2	60%	0.598	33%	0.332	S	S	*	.	H	α-helix	trans	-60	-48.6	176.8	-179.2	172.4	-158.5	0	0	111.1	A335 I337 C341 T342 L343	A335-E339 WeakPolarHBondContact O-CB 3.39Å; A335-E339 PolarHBondContact O-N 2.68Å; I337-E339 VanDerWaalsContact C-N 3.33Å; I337-E339 PolarHBondContact O-N 2.69Å; E339-C341 PolarHBondContact O-N 3.38Å; E339-T342 PolarHBondContact O-N 3.01Å; E339-L343 HydrophobicContact CG-CD1 4.23Å; E339-L343 WeakPolarHBondContact O-CG 3.32Å; E339-L343 PolarHBondContact O-N 2.97Å
340	F	96.6	Very high	93.5	Very high	9 Å²	9	63 Å²	63	4%	0.039	36%	0.355	C	S	.	.	H	α-helix	trans	-58.3	-49.3	178.1	-179.8	-128.3	0	0	0	112.5	I255 I313 L315 P327 S336 I337 T342 L343 F344 L349	I255-F340 HydrophobicContact CD1-CD1 4.05Å; I255-F340 HydrophobicContact CD1-CE1 4.32Å; I313-F340 HydrophobicContact CG2-CD1 4.15Å; I313-F340 HydrophobicContact CG2-CE1 4Å; L315-F340 HydrophobicContact CB-CE1 3.67Å; L315-F340 HydrophobicContact CB-CZ 3.83Å; L315-F340 HydrophobicContact CD1-CE1 4.3Å; P327-F340 HydrophobicContact CB-CB 4.44Å; P327-F340 HydrophobicContact CB-CD1 4.18Å; P327-F340 HydrophobicContact CB-CD2 3.86Å; P327-F340 HydrophobicContact CB-CE1 4.4Å; P327-F340 HydrophobicContact CB-CE2 4.09Å; P327-F340 HydrophobicContact CB-CG 3.92Å; P327-F340 HydrophobicContact CB-CZ 4.36Å; S336-F340 WeakPolarHBondContact O-CB 3.44Å; S336-F340 PolarHBondContact O-N 2.65Å; I337-F340 PolarHBondContact O-N 2.85Å; F340-T342 VanDerWaalsContact C-N 3.32Å; F340-T342 PolarHBondContact O-N 3.41Å; F340-L343 PolarHBondContact O-N 3.25Å; F340-F344 PolarHBondContact O-N 2.93Å; F340-L349 HydrophobicContact CD2-CD1 3.68Å; F340-L349 HydrophobicContact CD2-CD2 4.03Å; F340-L349 HydrophobicContact CE2-CD1 3.32Å; F340-L349 HydrophobicContact CE2-CD2 4.11Å; F340-L349 HydrophobicContact CE2-CG 4.37Å; F340-L349 HydrophobicContact CZ-CD1 4.09Å
341	C	96.9	Very high	92.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.6	-36.2	176.3	-71.5	0	0	0	0	112.7	I255 F280 I284 I337 I338 E339 F344 V345	I255-C341 WeakPolarHBondContact CD1-SG 3.47Å; F280-C341 HydrophobicContact CD1-CB 3.91Å; F280-C341 HydrophobicContact CD2-CB 3.91Å; F280-C341 HydrophobicContact CE1-CB 3.48Å; F280-C341 VanDerWaalsContact CE1-CB 3.48Å; F280-C341 HydrophobicContact CE2-CB 3.5Å; F280-C341 VanDerWaalsContact CE2-CB 3.5Å; F280-C341 HydrophobicContact CG-CB 4.12Å; F280-C341 HydrophobicContact CZ-CB 3.27Å; I284-C341 HydrophobicContact CD1-CB 3.7Å; I337-C341 WeakPolarHBondContact O-CB 3.29Å; I337-C341 PolarHBondContact O-N 2.96Å; I337-C341 PolarHBondContact O-SG 2.93Å; I337-C341 VanDerWaalsContact O-SG 3.42Å; I338-C341 PolarHBondContact O-N 3.5Å; E339-C341 PolarHBondContact O-N 3.38Å; C341-F344 WeakPolarHBondContact O-CB 3.16Å; C341-F344 PolarHBondContact O-N 3.16Å; C341-V345 WeakPolarHBondContact O-CG2 3.21Å; C341-V345 PolarHBondContact O-N 3.04Å
342	T	96.4	Very high	91.8	Very high	52 Å²	52	58.5 Å²	58.5	32%	0.319	33%	0.327	S	S	.	.	H	α-helix	trans	-65.8	-47.8	177.4	-58	0	0	0	0	110.6	I338 E339 F340 F344 V345 E346	I338-T342 VanDerWaalsContact O-CB 3.31Å; I338-T342 WeakPolarHBondContact O-CB 3.25Å; I338-T342 PolarHBondContact O-N 3.18Å; I338-T342 PolarHBondContact O-OG1 3.3Å; E339-T342 PolarHBondContact O-N 3.01Å; F340-T342 VanDerWaalsContact C-N 3.32Å; F340-T342 PolarHBondContact O-N 3.41Å; T342-F344 PolarHBondContact O-N 3.02Å; T342-V345 PolarHBondContact O-N 2.95Å; T342-E346 HydrophobicContact CG2-CG 4.35Å; T342-E346 WeakPolarHBondContact O-CB 3.26Å; T342-E346 VanDerWaalsContact O-CG 3.3Å; T342-E346 WeakPolarHBondContact O-CG 3.18Å; T342-E346 PolarHBondContact O-N 3.31Å
343	L	95.2	Very high	90.7	Very high	54 Å²	54	61.4 Å²	61.4	28%	0.283	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-35.9	176.6	-69.2	173.6	0	0	0	111.8	E339 F340 G347 K348 L349	E339-L343 HydrophobicContact CG-CD1 4.23Å; E339-L343 WeakPolarHBondContact O-CG 3.32Å; E339-L343 PolarHBondContact O-N 2.97Å; F340-L343 PolarHBondContact O-N 3.25Å; L343-G347 PolarHBondContact O-N 2.85Å; L343-K348 HydrophobicContact CB-CB 4.44Å; L343-K348 HydrophobicContact CD2-CB 4Å; L343-K348 HydrophobicContact CD2-CD 3.94Å; L343-K348 PolarHBondContact O-N 2.91Å; L343-L349 HydrophobicContact CB-CD2 3.6Å; L343-L349 HydrophobicContact CB-CG 3.84Å; L343-L349 HydrophobicContact CD1-CD2 4.12Å; L343-L349 PolarHBondContact O-N 2.9Å
344	F	94.6	Very high	89.7	Confident	27 Å²	27	59.3 Å²	59.3	12%	0.118	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-54.8	174	172.3	-107.4	0	0	0	111.6	I284 L315 T317 Y325 F340 C341 T342 E346 G347 L349	I284-F344 HydrophobicContact CD1-CD1 3.87Å; I284-F344 HydrophobicContact CD1-CE1 4.41Å; I284-F344 HydrophobicContact CG1-CD1 4.34Å; I284-F344 HydrophobicContact CG1-CE1 4.4Å; L315-F344 HydrophobicContact CD1-CB 3.77Å; L315-F344 HydrophobicContact CD1-CD1 3.63Å; L315-F344 HydrophobicContact CD1-CD2 4.04Å; L315-F344 HydrophobicContact CD1-CE1 4.27Å; L315-F344 HydrophobicContact CD1-CG 3.5Å; L315-F344 VanDerWaalsContact CD1-CG 3.5Å; L315-F344 HydrophobicContact CD2-CD1 3.93Å; L315-F344 HydrophobicContact CD2-CD2 3.38Å; L315-F344 HydrophobicContact CD2-CE1 3.87Å; L315-F344 HydrophobicContact CD2-CE2 3.31Å; L315-F344 HydrophobicContact CD2-CG 3.7Å; L315-F344 HydrophobicContact CD2-CZ 3.57Å; L315-F344 HydrophobicContact CG-CD1 4.43Å; L315-F344 HydrophobicContact CG-CD2 4.38Å; L315-F344 HydrophobicContact CG-CG 4.29Å; T317-F344 HydrophobicContact CG2-CE2 3.69Å; T317-F344 HydrophobicContact CG2-CZ 3.53Å; Y325-F344 HydrophobicContact CD2-CD2 4.12Å; Y325-F344 HydrophobicContact CD2-CE2 4.1Å; Y325-F344 HydrophobicContact CE2-CD2 4Å; Y325-F344 AromaticContact CE2-CE2 3.66Å; Y325-F344 HydrophobicContact CE2-CE2 3.66Å; F340-F344 PolarHBondContact O-N 2.93Å; C341-F344 WeakPolarHBondContact O-CB 3.16Å; C341-F344 PolarHBondContact O-N 3.16Å; T342-F344 PolarHBondContact O-N 3.02Å; F344-E346 PolarHBondContact O-N 3.06Å; F344-G347 PolarHBondContact O-N 2.96Å; F344-L349 HydrophobicContact CB-CD1 3.56Å; F344-L349 HydrophobicContact CB-CG 4.32Å; F344-L349 HydrophobicContact CD2-CD1 4.35Å; F344-L349 HydrophobicContact CG-CD1 4.44Å
345	V	93.6	Very high	89	Confident	68 Å²	68	60.6 Å²	60.6	41%	0.412	34%	0.337	S	S	.	.	H	α-helix	trans	-62.1	-31.8	-178.5	172.7	0	0	0	0	111.8	F280 I284 C341 T342 G347	F280-V345 HydrophobicContact CD1-CG2 4.34Å; F280-V345 HydrophobicContact CE1-CG2 4.44Å; I284-V345 HydrophobicContact CD1-CG2 3.94Å; I284-V345 HydrophobicContact CG1-CG2 4.36Å; C341-V345 WeakPolarHBondContact O-CG2 3.21Å; C341-V345 PolarHBondContact O-N 3.04Å; T342-V345 PolarHBondContact O-N 2.95Å; V345-G347 PolarHBondContact O-N 2.8Å
346	E	94.2	Very high	88.5	Confident	106 Å²	106	61.3 Å²	61.3	50%	0.495	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-1.8	175	-68	-178	156.2	0	0	113.9	T342 F344 K348	T342-E346 HydrophobicContact CG2-CG 4.35Å; T342-E346 WeakPolarHBondContact O-CB 3.26Å; T342-E346 VanDerWaalsContact O-CG 3.3Å; T342-E346 WeakPolarHBondContact O-CG 3.18Å; T342-E346 PolarHBondContact O-N 3.31Å; F344-E346 PolarHBondContact O-N 3.06Å; E346-K348 VanDerWaalsContact C-N 3.27Å; E346-K348 HydrophobicContact CB-CD 4.06Å; E346-K348 HydrophobicContact CB-CG 4.04Å; E346-K348 PolarHBondContact O-N 2.9Å; E346-K348 IonicContact OE1-NZ 2.66Å; E346-K348 WeakPolarHBondContact OE2-CD 3.32Å; E346-K348 WeakPolarHBondContact OE2-CE 3.48Å; E346-K348 IonicContact OE2-NZ 2.74Å; E346-K348 PolarHBondContact OE2-NZ 2.81Å
347	G	89.8	Confident	88	Confident	66 Å²	66	66 Å²	66	68%	0.68	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	23.4	-178.6	0	0	0	0	0	113.9	L343 F344 V345	L343-G347 PolarHBondContact O-N 2.85Å; F344-G347 PolarHBondContact O-N 2.96Å; V345-G347 PolarHBondContact O-N 2.8Å
348	K	90.7	Very high	87.8	Confident	132 Å²	132	69.6 Å²	69.6	57%	0.574	37%	0.37	S	S	*	.			trans	-94.9	-12.6	-176	-67.6	178.8	-177.1	164.8	0	113.7	L343 E346	L343-K348 HydrophobicContact CB-CB 4.44Å; L343-K348 HydrophobicContact CD2-CB 4Å; L343-K348 HydrophobicContact CD2-CD 3.94Å; L343-K348 PolarHBondContact O-N 2.91Å; E346-K348 VanDerWaalsContact C-N 3.27Å; E346-K348 HydrophobicContact CB-CD 4.06Å; E346-K348 HydrophobicContact CB-CG 4.04Å; E346-K348 PolarHBondContact O-N 2.9Å; E346-K348 IonicContact OE1-NZ 2.66Å; E346-K348 WeakPolarHBondContact OE2-CD 3.32Å; E346-K348 WeakPolarHBondContact OE2-CE 3.48Å; E346-K348 IonicContact OE2-NZ 2.74Å; E346-K348 PolarHBondContact OE2-NZ 2.81Å
349	L	85.6	Confident	87.5	Confident	32 Å²	32	68.4 Å²	68.4	17%	0.168	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-75.3	139.7	174.4	-65.6	-177.9	0	0	0	110.9	Y325 F340 L343 F344	Y325-L349 HydrophobicContact CD1-CB 3.6Å; Y325-L349 HydrophobicContact CD1-CD1 4.1Å; Y325-L349 HydrophobicContact CE1-CB 3.96Å; Y325-L349 HydrophobicContact CG-CD1 4.24Å; F340-L349 HydrophobicContact CD2-CD1 3.68Å; F340-L349 HydrophobicContact CD2-CD2 4.03Å; F340-L349 HydrophobicContact CE2-CD1 3.32Å; F340-L349 HydrophobicContact CE2-CD2 4.11Å; F340-L349 HydrophobicContact CE2-CG 4.37Å; F340-L349 HydrophobicContact CZ-CD1 4.09Å; L343-L349 HydrophobicContact CB-CD2 3.6Å; L343-L349 HydrophobicContact CB-CG 3.84Å; L343-L349 HydrophobicContact CD1-CD2 4.12Å; L343-L349 PolarHBondContact O-N 2.9Å; F344-L349 HydrophobicContact CB-CD1 3.56Å; F344-L349 HydrophobicContact CB-CG 4.32Å; F344-L349 HydrophobicContact CD2-CD1 4.35Å; F344-L349 HydrophobicContact CG-CD1 4.44Å
350	K	76.9	Confident	87.4	Confident	190 Å²	190	71.1 Å²	71.1	83%	0.826	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-84.5	142.3	166.1	-63.7	-174.9	179	-174.2	0	109.3	Y325 H352	Y325-K350 WeakPolarHBondContact CD1-O 3.27Å; K350-H352 PolarHBondContact O-N 3.27Å
351	A	74.6	Confident	87.2	Confident	50 Å²	50	75.1 Å²	75.1	41%	0.413	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-55.5	136.4	170.5	0	0	0	0	0	109.7	T323 L353	T323-A351 HydrophobicContact CG2-CB 3.59Å; A351-L353 PolarHBondContact O-N 3.36Å
352	H	68.7	Low	87.2	Confident	66 Å²	66	78.2 Å²	78.2	31%	0.306	41%	0.413	S	S	.	.			trans	-92.9	92.6	175.9	173.7	-86.1	0	0	0	108.8	K324 K326 K350 M354	K324-H352 PolarHBondContact O-N 3.16Å; K326-H352 HydrophobicContact CB-CB 3.93Å; K350-H352 PolarHBondContact O-N 3.27Å; H352-M354 PolarHBondContact O-N 3.42Å
353	L	71.7	Confident	87.2	Confident	80 Å²	80	79.5 Å²	79.5	42%	0.419	42%	0.418	S	S	.	.			trans	-67.7	115.5	175.6	-60.4	172.8	0	0	0	110.1	A351 E429 E431	A351-L353 PolarHBondContact O-N 3.36Å; L353-E429 WeakPolarHBondContact CA-OE2 3.49Å; L353-E429 HydrophobicContact CB-CB 4.38Å; L353-E429 HydrophobicContact CD2-CB 3.89Å; L353-E431 HydrophobicContact CD1-CB 3.99Å
354	M	75.4	Confident	87.1	Confident	10 Å²	10	84 Å²	84	5%	0.049	44%	0.435	C	S	.	.			trans	-75.6	144.6	174.9	-65.3	-174.8	19.4	0	0	111.6	G304 K324 H352 N428 E429	G304-M354 PolarHBondContact N-SD 3.14Å; K324-M354 HydrophobicContact CD-SD 4.21Å; H352-M354 PolarHBondContact O-N 3.42Å; M354-N428 CarbonylContact O-C 3.52Å; M354-N428 VanDerWaalsContact O-CA 3.28Å; M354-N428 WeakPolarHBondContact O-CA 3.38Å; M354-E429 HydrophobicContact CB-CG 4.33Å; M354-E429 PolarHBondContact N-OE2 3.48Å; M354-E429 PolarHBondContact O-N 2.81Å
355	S	83.8	Confident	87.2	Confident	41 Å²	41	86.2 Å²	86.2	29%	0.287	45%	0.451	S	S	.	.			trans	-150.2	136	167.3	179.5	0	0	0	0	111.1	G372 K373 N428	S355-G372 WeakPolarHBondContact OG-CA 3.19Å; S355-G372 PolarHBondContact OG-N 3.23Å; S355-K373 WeakPolarHBondContact OG-CG 3.48Å; S355-K373 PolarHBondContact OG-N 3.03Å; S355-N428 WeakPolarHBondContact CA-OD1 3.28Å
356	Q	85	Confident	87.3	Confident	85 Å²	85	85 Å²	85	40%	0.397	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-67.1	167.3	165.2	-65.2	175	-59.7	0	0	111.2	V371 K373 A427 N428	Q356-V371 HydrophobicContact CB-CB 4.25Å; Q356-V371 HydrophobicContact CB-CG1 3.76Å; Q356-K373 WeakPolarHBondContact O-CD 3.4Å; Q356-A427 VanDerWaalsContact CD-CB 3.43Å; Q356-A427 HydrophobicContact CG-CB 3.67Å; Q356-N428 PolarHBondContact N-OD1 2.96Å; Q356-N428 PolarHBondContact OE1-ND2 3.17Å
357	D	87.3	Confident	87.5	Confident	122 Å²	122	80.4 Å²	80.4	65%	0.652	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-71.3	147.2	166	-69.6	-38.7	0	0	0	110.3	P359 K373	D357-P359 VanDerWaalsContact O-CD 3.25Å; D357-P359 WeakPolarHBondContact O-CD 3.48Å; D357-K373 IonicContact OD1-NZ 2.63Å; D357-K373 PolarHBondContact OD1-NZ 3.22Å
358	I	93	Very high	87.9	Confident	76 Å²	76	79.7 Å²	79.7	39%	0.39	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-68	119.7	177.5	-56.9	166.1	0	0	0	107.8	W362 V371 K373 N374	I358-W362 HydrophobicContact CG2-CB 4.19Å; I358-W362 HydrophobicContact CG2-CG 3.82Å; I358-V371 HydrophobicContact CB-CG2 4.26Å; I358-V371 HydrophobicContact CG1-CG2 3.62Å; I358-K373 HydrophobicContact CD1-CB 4.04Å; I358-K373 HydrophobicContact CG1-CB 3.92Å; I358-N374 HydrophobicContact CD1-CB 3.84Å; I358-N374 HydrophobicContact CG1-CB 4.04Å
359	P	91.5	Very high	88.3	Confident	43 Å²	43	75.1 Å²	75.1	28%	0.279	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-60	143.3	176.4	-22.9	33.8	0	0	0	111.7	D357 D361 W362 V369	D357-P359 VanDerWaalsContact O-CD 3.25Å; D357-P359 WeakPolarHBondContact O-CD 3.48Å; P359-D361 WeakPolarHBondContact CB-OD1 3.47Å; P359-D361 PolarHBondContact O-N 2.96Å; P359-D361 VanDerWaalsContact O-N 3.11Å; P359-W362 HydrophobicContact CB-CB 4.21Å; P359-W362 HydrophobicContact CG-CB 4.42Å; P359-W362 WeakPolarHBondContact O-CB 3.34Å; P359-W362 VanDerWaalsContact O-CD1 3.24Å; P359-W362 PolarHBondContact O-N 2.61Å; P359-V369 HydrophobicContact CG-CG1 4.24Å
360	E	93.5	Very high	88.8	Confident	185 Å²	185	73.7 Å²	73.7	86%	0.864	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.2	178.2	-67.9	-171.9	171.9	0	0	113.4
361	D	93.3	Very high	89.7	Confident	92 Å²	92	64.7 Å²	64.7	49%	0.492	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	17.8	-179	60.2	-16.2	0	0	0	113.7	P359 D363 K364	P359-D361 WeakPolarHBondContact CB-OD1 3.47Å; P359-D361 PolarHBondContact O-N 2.96Å; P359-D361 VanDerWaalsContact O-N 3.11Å; D361-D363 PolarHBondContact O-N 2.87Å; D361-K364 HydrophobicContact CB-CB 4.22Å; D361-K364 HydrophobicContact CB-CD 3.53Å; D361-K364 HydrophobicContact CB-CG 3.91Å; D361-K364 PolarHBondContact O-N 2.81Å
362	W	96.6	Very high	90.4	Very high	66 Å²	66	63.3 Å²	63.3	25%	0.25	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-27.9	-175.5	77	-86.8	0	0	0	114	I358 P359 K368 V369 L370 V378	I358-W362 HydrophobicContact CG2-CB 4.19Å; I358-W362 HydrophobicContact CG2-CG 3.82Å; P359-W362 HydrophobicContact CB-CB 4.21Å; P359-W362 HydrophobicContact CG-CB 4.42Å; P359-W362 WeakPolarHBondContact O-CB 3.34Å; P359-W362 VanDerWaalsContact O-CD1 3.24Å; P359-W362 PolarHBondContact O-N 2.61Å; W362-K368 HydrophobicContact CE3-CB 4.39Å; W362-K368 HydrophobicContact CZ3-CB 4.29Å; W362-K368 WeakPolarHBondContact O-CA 3.44Å; W362-V369 HydrophobicContact CB-CB 4.37Å; W362-V369 PolarHBondContact O-N 2.8Å; W362-L370 HydrophobicContact CE3-CD2 4.43Å; W362-L370 HydrophobicContact CZ3-CD2 4.25Å; W362-V378 HydrophobicContact CH2-CG2 3.71Å; W362-V378 HydrophobicContact CZ3-CG2 3.76Å
363	D	95.4	Very high	91.5	Very high	78 Å²	78	65.9 Å²	65.9	42%	0.417	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	4.2	-179.1	69.5	-13.8	0	0	0	115	D361 K368	D361-D363 PolarHBondContact O-N 2.87Å; D363-K368 HydrophobicContact CB-CD 3.99Å; D363-K368 PolarHBondContact O-NZ 2.71Å
364	K	94.2	Very high	92.5	Very high	149 Å²	149	62.2 Å²	62.2	65%	0.648	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-30.7	-175.9	-69.6	-172.9	-165.3	155.2	0	113.4	D361	D361-K364 HydrophobicContact CB-CB 4.22Å; D361-K364 HydrophobicContact CB-CD 3.53Å; D361-K364 HydrophobicContact CB-CG 3.91Å; D361-K364 PolarHBondContact O-N 2.81Å
365	T	95.4	Very high	93.5	Very high	74 Å²	74	61.8 Å²	61.8	45%	0.454	32%	0.318	S	S	.	.	S	Bend	trans	-88.6	160.4	179.4	47.1	0	0	0	0	112	V367 K368	T365-V367 VanDerWaalsContact C-N 3.3Å; T365-V367 PolarHBondContact O-N 3.32Å; T365-V367 PolarHBondContact OG1-O 3.26Å; T365-K368 PolarHBondContact O-NZ 2.9Å
366	P	97.4	Very high	93.9	Very high	43 Å²	43	63.9 Å²	63.9	28%	0.279	32%	0.323	S	S	.	.	S	Bend	trans	-55.7	-42.9	173.7	-26.8	34.9	0	0	0	113	G409 E410 K413	P366-G409 WeakPolarHBondContact CB-O 3.45Å; P366-E410 VanDerWaalsContact CG-OE2 3.24Å; P366-E410 WeakPolarHBondContact CG-OE2 3.37Å; P366-K413 HydrophobicContact CB-CB 4.01Å; P366-K413 HydrophobicContact CG-CB 4.43Å
367	V	98.1	Very high	94.3	Very high	8 Å²	8	67.2 Å²	67.2	5%	0.048	34%	0.339	C	S	.	.	S	Bend	trans	-83.8	121.6	169	-176.5	0	0	0	0	109.2	T365 W405 V420 K422	T365-V367 VanDerWaalsContact C-N 3.3Å; T365-V367 PolarHBondContact O-N 3.32Å; T365-V367 PolarHBondContact OG1-O 3.26Å; V367-W405 WeakPolarHBondContact CG2-O 3.48Å; V367-V420 WeakPolarHBondContact CA-O 3.39Å; V367-V420 HydrophobicContact CG2-CG1 4.25Å; V367-K422 HydrophobicContact CG1-CB 4.2Å; V367-K422 HydrophobicContact CG1-CD 4.05Å; V367-K422 HydrophobicContact CG1-CG 3.92Å
368	K	98.2	Very high	94.6	Very high	52 Å²	52	62 Å²	62	23%	0.226	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	143.2	178.3	-50.4	-59.5	170.4	-160.2	0	111.3	W362 D363 T365 I419 V420 A421 K422	W362-K368 HydrophobicContact CE3-CB 4.39Å; W362-K368 HydrophobicContact CZ3-CB 4.29Å; W362-K368 WeakPolarHBondContact O-CA 3.44Å; D363-K368 HydrophobicContact CB-CD 3.99Å; D363-K368 PolarHBondContact O-NZ 2.71Å; T365-K368 PolarHBondContact O-NZ 2.9Å; K368-I419 HydrophobicContact CB-CG2 4.4Å; K368-I419 HydrophobicContact CG-CG2 3.72Å; K368-V420 PolarHBondContact N-O 3.19Å; K368-A421 HydrophobicContact CB-CB 4.04Å; K368-A421 CarbonylContact O-C 3.5Å; K368-A421 WeakPolarHBondContact O-CA 3.46Å; K368-K422 PolarHBondContact O-N 3.33Å
369	V	97.9	Very high	94.8	Very high	36 Å²	36	58.5 Å²	58.5	22%	0.218	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.9	176.1	-177	0	0	0	0	109	P359 W362 N374	P359-V369 HydrophobicContact CG-CG1 4.24Å; W362-V369 HydrophobicContact CB-CB 4.37Å; W362-V369 PolarHBondContact O-N 2.8Å; V369-N374 PolarHBondContact O-ND2 2.85Å
370	L	97.4	Very high	94.9	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	151.1	175.5	-53.4	-174.6	0	0	0	110.5	W362 N374 F375 V378 V388 A421 K422 M423	W362-L370 HydrophobicContact CE3-CD2 4.43Å; W362-L370 HydrophobicContact CZ3-CD2 4.25Å; L370-N374 WeakPolarHBondContact CA-OD1 3.44Å; L370-F375 HydrophobicContact CB-CD2 4.24Å; L370-F375 HydrophobicContact CD1-CD2 3.73Å; L370-F375 HydrophobicContact CD1-CE2 4.08Å; L370-V378 HydrophobicContact CD2-CB 3.85Å; L370-V378 HydrophobicContact CD2-CG1 3.88Å; L370-V378 HydrophobicContact CD2-CG2 3.95Å; L370-V388 HydrophobicContact CD1-CG1 4.21Å; L370-V388 HydrophobicContact CD1-CG2 4.07Å; L370-A421 HydrophobicContact CD1-CB 3.87Å; L370-A421 HydrophobicContact CD2-CB 4.49Å; L370-A421 HydrophobicContact CG-CB 3.94Å; L370-K422 PolarHBondContact N-O 3Å; L370-M423 HydrophobicContact CB-CB 4.15Å; L370-M423 HydrophobicContact CB-CG 4.36Å; L370-M423 HydrophobicContact CB-SD 4.41Å; L370-M423 WeakPolarHBondContact O-CG 3.32Å
371	V	94.4	Very high	94.9	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	26%	0.259	C	S	.	.			trans	-136.2	165.6	170	-62.6	0	0	0	0	107.4	Q356 I358 K373 N374 F375 N428	Q356-V371 HydrophobicContact CB-CB 4.25Å; Q356-V371 HydrophobicContact CB-CG1 3.76Å; I358-V371 HydrophobicContact CB-CG2 4.26Å; I358-V371 HydrophobicContact CG1-CG2 3.62Å; V371-K373 HydrophobicContact CG2-CB 4.21Å; V371-K373 PolarHBondContact O-N 3.46Å; V371-N374 WeakPolarHBondContact CG2-OD1 3.42Å; V371-N374 PolarHBondContact N-OD1 2.95Å; V371-N374 PolarHBondContact O-N 3.26Å; V371-N374 VanDerWaalsContact O-N 3.09Å; V371-N374 PolarHBondContact O-OD1 2.77Å; V371-F375 WeakPolarHBondContact O-CB 3.49Å; V371-F375 PolarHBondContact O-N 2.92Å; V371-N428 VanDerWaalsContact CA-OD1 3.3Å; V371-N428 WeakPolarHBondContact CA-OD1 3.32Å; V371-N428 VanDerWaalsContact CB-OD1 3.25Å; V371-N428 WeakPolarHBondContact CB-OD1 3.39Å
372	G	90.7	Very high	95	Very high	21 Å²	21	50.7 Å²	50.7	22%	0.216	26%	0.258	C	S	.	.	H	α-helix	trans	-52.7	-33.7	-178.6	0	0	0	0	0	114.6	S355 N428	S355-G372 WeakPolarHBondContact OG-CA 3.19Å; S355-G372 PolarHBondContact OG-N 3.23Å; G372-N428 PolarHBondContact N-OD1 3.41Å
373	K	90.1	Very high	94.9	Very high	120 Å²	120	51.9 Å²	51.9	52%	0.522	27%	0.273	S	S	.	.	H	α-helix	trans	-69.2	-29.6	-179.8	-72.7	171.4	-166.1	-174.6	0	115.1	S355 Q356 D357 I358 V371	S355-K373 WeakPolarHBondContact OG-CG 3.48Å; S355-K373 PolarHBondContact OG-N 3.03Å; Q356-K373 WeakPolarHBondContact O-CD 3.4Å; D357-K373 IonicContact OD1-NZ 2.63Å; D357-K373 PolarHBondContact OD1-NZ 3.22Å; I358-K373 HydrophobicContact CD1-CB 4.04Å; I358-K373 HydrophobicContact CG1-CB 3.92Å; V371-K373 HydrophobicContact CG2-CB 4.21Å; V371-K373 PolarHBondContact O-N 3.46Å
374	N	94.8	Very high	95	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-114.3	-6.9	-179.9	72.4	-19.8	0	0	0	113.6	I358 V369 L370 V371 E376 E377 V378	I358-N374 HydrophobicContact CD1-CB 3.84Å; I358-N374 HydrophobicContact CG1-CB 4.04Å; V369-N374 PolarHBondContact O-ND2 2.85Å; L370-N374 WeakPolarHBondContact CA-OD1 3.44Å; V371-N374 WeakPolarHBondContact CG2-OD1 3.42Å; V371-N374 PolarHBondContact N-OD1 2.95Å; V371-N374 PolarHBondContact O-N 3.26Å; V371-N374 VanDerWaalsContact O-N 3.09Å; V371-N374 PolarHBondContact O-OD1 2.77Å; N374-E376 PolarHBondContact O-N 3.25Å; N374-E377 PolarHBondContact O-N 2.77Å; N374-V378 WeakPolarHBondContact O-CG2 3.29Å; N374-V378 PolarHBondContact O-N 2.9Å
375	F	95.1	Very high	95.2	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-55.4	-51.5	-177.4	-177.6	-88.5	0	0	0	112	L370 V371 E377 V378 A379 F380 V388 F390 M423 I430 V433 F444	L370-F375 HydrophobicContact CB-CD2 4.24Å; L370-F375 HydrophobicContact CD1-CD2 3.73Å; L370-F375 HydrophobicContact CD1-CE2 4.08Å; V371-F375 WeakPolarHBondContact O-CB 3.49Å; V371-F375 PolarHBondContact O-N 2.92Å; F375-E377 PolarHBondContact O-N 2.86Å; F375-V378 PolarHBondContact O-N 2.63Å; F375-V378 VanDerWaalsContact O-N 3.17Å; F375-A379 HydrophobicContact CD1-CB 4.06Å; F375-A379 HydrophobicContact CD2-CB 4.38Å; F375-A379 HydrophobicContact CE1-CB 3.62Å; F375-A379 HydrophobicContact CE2-CB 3.98Å; F375-A379 HydrophobicContact CG-CB 4.4Å; F375-A379 HydrophobicContact CZ-CB 3.57Å; F375-A379 VanDerWaalsContact O-CB 3.28Å; F375-A379 WeakPolarHBondContact O-CB 3.34Å; F375-A379 PolarHBondContact O-N 3.43Å; F375-F380 HydrophobicContact CE1-CE2 4Å; F375-V388 HydrophobicContact CE2-CG1 4.3Å; F375-V388 HydrophobicContact CE2-CG2 4.37Å; F375-F390 AromaticContact CE2-CE1 3.75Å; F375-F390 HydrophobicContact CE2-CE1 3.75Å; F375-F390 AromaticContact CE2-CZ 3.56Å; F375-F390 HydrophobicContact CE2-CZ 3.56Å; F375-F390 HydrophobicContact CZ-CE1 4.19Å; F375-F390 AromaticContact CZ-CZ 3.77Å; F375-F390 HydrophobicContact CZ-CZ 3.77Å; F375-M423 HydrophobicContact CB-SD 4.39Å; F375-M423 HydrophobicContact CD2-CE 4.35Å; F375-M423 HydrophobicContact CD2-SD 3.61Å; F375-M423 HydrophobicContact CE2-SD 4.31Å; F375-M423 HydrophobicContact CG-SD 4.27Å; F375-I430 HydrophobicContact CB-CD1 3.47Å; F375-I430 VanDerWaalsContact CB-CD1 3.47Å; F375-I430 HydrophobicContact CB-CG1 4.34Å; F375-I430 HydrophobicContact CD1-CB 4.43Å; F375-I430 HydrophobicContact CD1-CD1 3.69Å; F375-I430 HydrophobicContact CD1-CG1 3.85Å; F375-I430 HydrophobicContact CD1-CG2 3.73Å; F375-I430 HydrophobicContact CD2-CD1 4.22Å; F375-I430 HydrophobicContact CD2-CG1 4.2Å; F375-I430 HydrophobicContact CE1-CG1 4.24Å; F375-I430 HydrophobicContact CE1-CG2 3.77Å; F375-I430 HydrophobicContact CG-CD1 3.5Å; F375-I430 HydrophobicContact CG-CG1 3.84Å; F375-V433 HydrophobicContact CE1-CG2 3.92Å; F375-V433 HydrophobicContact CZ-CG2 3.84Å; F375-F444 HydrophobicContact CE1-CE1 4.35Å; F375-F444 HydrophobicContact CE1-CZ 4.39Å; F375-F444 AromaticContact CZ-CE1 4Å; F375-F444 HydrophobicContact CZ-CE1 4Å; F375-F444 HydrophobicContact CZ-CE2 4.1Å; F375-F444 AromaticContact CZ-CZ 3.61Å; F375-F444 HydrophobicContact CZ-CZ 3.61Å
376	E	91.5	Very high	95.3	Very high	84 Å²	84	41.8 Å²	41.8	39%	0.393	22%	0.221	S	C	.	.	H	α-helix	trans	-56.9	-46.2	-176.8	-179.5	66.6	-168.2	0	0	112.4	N374 V378 F380 R450	N374-E376 PolarHBondContact O-N 3.25Å; E376-V378 VanDerWaalsContact C-N 3.33Å; E376-V378 PolarHBondContact O-N 2.91Å; E376-F380 PolarHBondContact O-N 3.28Å; E376-F380 WeakPolarHBondContact OE2-CD2 3.24Å; E376-F380 WeakPolarHBondContact OE2-CE2 3.25Å; E376-R450 VanDerWaalsContact CD-NH2 3.28Å; E376-R450 IonicContact OE1-CZ 3.81Å; E376-R450 IonicContact OE1-NH1 2.93Å; E376-R450 PolarHBondContact OE1-NH1 3.44Å; E376-R450 IonicContact OE1-NH2 2.78Å; E376-R450 PolarHBondContact OE1-NH2 2.84Å; E376-R450 IonicContact OE2-CZ 2.66Å; E376-R450 IonicContact OE2-NH1 2.71Å; E376-R450 IonicContact OE2-NH2 2.8Å; E376-R450 PolarHBondContact OE2-NH2 2.88Å
377	E	93.6	Very high	95.4	Very high	155 Å²	155	39.8 Å²	39.8	72%	0.724	21%	0.207	S	C	*	.	H	α-helix	trans	-65.9	-36.2	-179.7	-177.6	-178.8	169.2	0	0	112.2	N374 F375	N374-E377 PolarHBondContact O-N 2.77Å; F375-E377 PolarHBondContact O-N 2.86Å
378	V	95.4	Very high	95.4	Very high	14 Å²	14	39.4 Å²	39.4	9%	0.085	21%	0.205	C	C	.	.	H	α-helix	trans	-86	-56.8	-176.1	-178.2	0	0	0	0	111	W362 L370 N374 F375 E376 N381 V386 I419	W362-V378 HydrophobicContact CH2-CG2 3.71Å; W362-V378 HydrophobicContact CZ3-CG2 3.76Å; L370-V378 HydrophobicContact CD2-CB 3.85Å; L370-V378 HydrophobicContact CD2-CG1 3.88Å; L370-V378 HydrophobicContact CD2-CG2 3.95Å; N374-V378 WeakPolarHBondContact O-CG2 3.29Å; N374-V378 PolarHBondContact O-N 2.9Å; F375-V378 PolarHBondContact O-N 2.63Å; F375-V378 VanDerWaalsContact O-N 3.17Å; E376-V378 VanDerWaalsContact C-N 3.33Å; E376-V378 PolarHBondContact O-N 2.91Å; V378-N381 WeakPolarHBondContact O-CB 3.4Å; V378-N381 PolarHBondContact O-N 3.45Å; V378-V386 HydrophobicContact CG1-CG1 4.5Å; V378-V386 WeakPolarHBondContact O-CG2 3.28Å; V378-I419 HydrophobicContact CG1-CD1 4.37Å; V378-I419 HydrophobicContact CG1-CG2 4.49Å
379	A	95.3	Very high	95.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-41.7	-172.2	0	0	0	0	0	112.4	F375 N381 F444	F375-A379 HydrophobicContact CD1-CB 4.06Å; F375-A379 HydrophobicContact CD2-CB 4.38Å; F375-A379 HydrophobicContact CE1-CB 3.62Å; F375-A379 HydrophobicContact CE2-CB 3.98Å; F375-A379 HydrophobicContact CG-CB 4.4Å; F375-A379 HydrophobicContact CZ-CB 3.57Å; F375-A379 VanDerWaalsContact O-CB 3.28Å; F375-A379 WeakPolarHBondContact O-CB 3.34Å; F375-A379 PolarHBondContact O-N 3.43Å; A379-N381 VanDerWaalsContact C-N 3.31Å; A379-N381 PolarHBondContact O-N 2.83Å; A379-F444 HydrophobicContact CB-CD1 4.22Å; A379-F444 HydrophobicContact CB-CD2 4.21Å; A379-F444 HydrophobicContact CB-CG 4.08Å; A379-F444 WeakPolarHBondContact O-CB 3.49Å
380	F	94.1	Very high	95.3	Very high	29 Å²	29	35.5 Å²	35.5	13%	0.127	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	24.9	179.7	-63.6	-70.7	0	0	0	113.3	F375 E376 P382 E432 F444 R450 V452	F375-F380 HydrophobicContact CE1-CE2 4Å; E376-F380 PolarHBondContact O-N 3.28Å; E376-F380 WeakPolarHBondContact OE2-CD2 3.24Å; E376-F380 WeakPolarHBondContact OE2-CE2 3.25Å; F380-P382 WeakPolarHBondContact O-CD 3.17Å; F380-E432 HydrophobicContact CZ-CB 4.4Å; F380-F444 HydrophobicContact CD1-CD1 4.17Å; F380-F444 AromaticContact CE1-CD1 3.67Å; F380-F444 HydrophobicContact CE1-CD1 3.67Å; F380-F444 HydrophobicContact CE1-CE1 4.08Å; F380-F444 AromaticContact CZ-CD1 3.93Å; F380-F444 HydrophobicContact CZ-CD1 3.93Å; F380-F444 AromaticContact CZ-CE1 3.88Å; F380-F444 HydrophobicContact CZ-CE1 3.88Å; F380-R450 HydrophobicContact CD1-CB 3.92Å; F380-R450 HydrophobicContact CD1-CG 4.05Å; F380-R450 HydrophobicContact CE1-CB 3.9Å; F380-R450 HydrophobicContact CE1-CG 4.43Å; F380-V452 HydrophobicContact CE1-CG2 4.08Å; F380-V452 HydrophobicContact CZ-CG2 4.3Å
381	N	94.2	Very high	95.1	Very high	53 Å²	53	38 Å²	38	28%	0.283	20%	0.195	S	C	.	.			trans	-66.4	119.4	174.5	-172.7	-52.5	0	0	0	110.3	V378 A379 T383 K384	V378-N381 WeakPolarHBondContact O-CB 3.4Å; V378-N381 PolarHBondContact O-N 3.45Å; A379-N381 VanDerWaalsContact C-N 3.31Å; A379-N381 PolarHBondContact O-N 2.83Å; N381-T383 PolarHBondContact O-N 3.47Å; N381-T383 PolarHBondContact OD1-N 2.88Å; N381-T383 PolarHBondContact OD1-OG1 3.33Å; N381-K384 HydrophobicContact CB-CB 4.08Å; N381-K384 HydrophobicContact CB-CG 4.07Å; N381-K384 PolarHBondContact O-N 2.89Å
382	P	95.1	Very high	94.6	Very high	74 Å²	74	38 Å²	38	48%	0.481	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-7.4	-172	28.4	-36.6	0	0	0	114	F380 G447	F380-P382 WeakPolarHBondContact O-CD 3.17Å; P382-G447 PolarHBondContact O-N 3.36Å
383	T	95.4	Very high	94.1	Very high	92 Å²	92	39.7 Å²	39.7	56%	0.564	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.6	0.8	179.5	67.9	0	0	0	0	113.6	N381	N381-T383 PolarHBondContact O-N 3.47Å; N381-T383 PolarHBondContact OD1-N 2.88Å; N381-T383 PolarHBondContact OD1-OG1 3.33Å
384	K	97.2	Very high	93.4	Very high	56 Å²	56	38.8 Å²	38.8	24%	0.243	20%	0.196	C	C	.	.			trans	-127.5	140	-174.5	-56.9	-66.3	-180	172.7	0	111	N381 V386 S416 D417 I419 A446	N381-K384 HydrophobicContact CB-CB 4.08Å; N381-K384 HydrophobicContact CB-CG 4.07Å; N381-K384 PolarHBondContact O-N 2.89Å; K384-V386 HydrophobicContact CB-CG2 3.93Å; K384-S416 PolarHBondContact NZ-O 3.22Å; K384-D417 CarbonylContact C-O 3.54Å; K384-D417 WeakPolarHBondContact CA-O 3.48Å; K384-I419 HydrophobicContact CB-CD1 3.98Å; K384-I419 HydrophobicContact CB-CG1 4.43Å; K384-I419 HydrophobicContact CD-CD1 4.07Å; K384-I419 HydrophobicContact CD-CG1 4.38Å; K384-I419 HydrophobicContact CG-CD1 3.82Å; K384-A446 WeakPolarHBondContact O-CA 3.46Å; K384-A446 PolarHBondContact O-N 2.94Å
385	N	97.4	Very high	92.9	Very high	33 Å²	33	39.5 Å²	39.5	18%	0.176	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	105.2	168.5	-68.7	-50.3	0	0	0	107.1	D417 I418 I419 F443 A446	N385-D417 PolarHBondContact N-O 2.92Å; N385-D417 PolarHBondContact ND2-OD2 3.37Å; N385-I418 HydrophobicContact CB-CG1 4.15Å; N385-I418 CarbonylContact O-C 3.37Å; N385-I418 WeakPolarHBondContact O-CA 3.4Å; N385-I419 PolarHBondContact O-N 3.11Å; N385-F443 HydrophobicContact CB-CE2 3.76Å; N385-F443 HydrophobicContact CB-CZ 3.71Å; N385-A446 PolarHBondContact OD1-N 3.32Å
386	V	98.3	Very high	92.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126	-173.4	-169.2	0	0	0	0	110	V378 K384 V388 I419 A421 F443 F444	V378-V386 HydrophobicContact CG1-CG1 4.5Å; V378-V386 WeakPolarHBondContact O-CG2 3.28Å; K384-V386 HydrophobicContact CB-CG2 3.93Å; V386-V388 HydrophobicContact CG1-CG2 3.75Å; V386-I419 CarbonylContact C-O 3.56Å; V386-I419 WeakPolarHBondContact CA-O 3.09Å; V386-I419 HydrophobicContact CB-CB 4.5Å; V386-I419 HydrophobicContact CG1-CB 4.16Å; V386-I419 HydrophobicContact CG1-CG2 4.14Å; V386-I419 HydrophobicContact CG2-CB 4.16Å; V386-I419 HydrophobicContact CG2-CD1 4.36Å; V386-A421 HydrophobicContact CG1-CB 4.46Å; V386-F443 WeakPolarHBondContact O-CA 3.48Å; V386-F443 VanDerWaalsContact O-CD2 3.31Å; V386-F443 WeakPolarHBondContact O-CD2 3.43Å; V386-F444 HydrophobicContact CB-CB 4.29Å; V386-F444 PolarHBondContact N-O 3.47Å; V386-F444 PolarHBondContact O-N 3.49Å
387	F	98.3	Very high	91.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.8	175.9	-164.9	-152.8	0	0	0	109.6	W405 L408 I419 A421 L441 K442 F443 Y455 F464 F467 L468	F387-W405 AromaticContact CD1-CH2 3.39Å; F387-W405 HydrophobicContact CD1-CH2 3.39Å; F387-W405 HydrophobicContact CD1-CZ2 4.26Å; F387-W405 AromaticContact CD1-CZ3 3.94Å; F387-W405 HydrophobicContact CD1-CZ3 3.94Å; F387-W405 HydrophobicContact CD2-CH2 4.15Å; F387-W405 AromaticContact CE1-CH2 3.44Å; F387-W405 HydrophobicContact CE1-CH2 3.44Å; F387-W405 VanDerWaalsContact CE1-CH2 3.44Å; F387-W405 AromaticContact CE1-CZ3 3.6Å; F387-W405 HydrophobicContact CE1-CZ3 3.6Å; F387-W405 HydrophobicContact CE2-CH2 4.18Å; F387-W405 AromaticContact CG-CH2 3.76Å; F387-W405 HydrophobicContact CG-CH2 3.76Å; F387-W405 HydrophobicContact CG-CZ2 4.39Å; F387-W405 AromaticContact CZ-CH2 3.84Å; F387-W405 HydrophobicContact CZ-CH2 3.84Å; F387-W405 HydrophobicContact CZ-CZ3 4.08Å; F387-L408 HydrophobicContact CD1-CD2 3.95Å; F387-L408 HydrophobicContact CE1-CD2 4.18Å; F387-I419 PolarHBondContact N-O 2.93Å; F387-A421 PolarHBondContact O-N 3.43Å; F387-L441 HydrophobicContact CE2-CB 4.06Å; F387-L441 HydrophobicContact CZ-CB 4.18Å; F387-K442 WeakPolarHBondContact CD2-O 3.32Å; F387-F443 HydrophobicContact CB-CD2 3.99Å; F387-F443 HydrophobicContact CD2-CB 3.89Å; F387-F443 HydrophobicContact CD2-CD2 4.27Å; F387-F443 HydrophobicContact CE2-CB 4.34Å; F387-F443 HydrophobicContact CG-CD2 4.36Å; F387-Y455 HydrophobicContact CE2-CG 4.3Å; F387-Y455 HydrophobicContact CZ-CD1 4.28Å; F387-Y455 HydrophobicContact CZ-CD2 4.14Å; F387-Y455 AromaticContact CZ-CG 3.82Å; F387-Y455 HydrophobicContact CZ-CG 3.82Å; F387-F464 HydrophobicContact CE1-CB 4.27Å; F387-F464 AromaticContact CE1-CD1 3.78Å; F387-F464 HydrophobicContact CE1-CD1 3.78Å; F387-F464 HydrophobicContact CE1-CE1 4.46Å; F387-F464 HydrophobicContact CE1-CG 4.2Å; F387-F464 HydrophobicContact CZ-CD1 4.1Å; F387-F464 HydrophobicContact CZ-CE1 4.49Å; F387-F467 HydrophobicContact CD2-CE1 4.05Å; F387-F467 HydrophobicContact CE1-CD1 4.2Å; F387-F467 HydrophobicContact CE1-CE1 4.42Å; F387-F467 HydrophobicContact CE2-CD1 4.24Å; F387-F467 AromaticContact CE2-CE1 3.68Å; F387-F467 HydrophobicContact CE2-CE1 3.68Å; F387-F467 AromaticContact CZ-CD1 3.97Å; F387-F467 HydrophobicContact CZ-CD1 3.97Å; F387-F467 AromaticContact CZ-CE1 3.88Å; F387-F467 HydrophobicContact CZ-CE1 3.88Å; F387-L468 HydrophobicContact CB-CD2 3.91Å; F387-L468 HydrophobicContact CD1-CD1 4.24Å; F387-L468 HydrophobicContact CD1-CD2 4.06Å; F387-L468 HydrophobicContact CD1-CG 4.22Å; F387-L468 HydrophobicContact CG-CD2 4.16Å
388	V	98.4	Very high	91.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.1	-168.8	-169.2	0	0	0	0	110.5	L370 F375 V386 F390 A421 M423 K442 F444	L370-V388 HydrophobicContact CD1-CG1 4.21Å; L370-V388 HydrophobicContact CD1-CG2 4.07Å; F375-V388 HydrophobicContact CE2-CG1 4.3Å; F375-V388 HydrophobicContact CE2-CG2 4.37Å; V386-V388 HydrophobicContact CG1-CG2 3.75Å; V388-F390 HydrophobicContact CB-CD2 4.44Å; V388-F390 HydrophobicContact CB-CE2 3.72Å; V388-F390 HydrophobicContact CB-CZ 4.02Å; V388-F390 HydrophobicContact CG1-CD2 4.26Å; V388-F390 HydrophobicContact CG1-CE1 4.31Å; V388-F390 HydrophobicContact CG1-CE2 3.77Å; V388-F390 HydrophobicContact CG1-CZ 3.79Å; V388-A421 WeakPolarHBondContact CA-O 3.42Å; V388-A421 HydrophobicContact CG2-CB 4.29Å; V388-M423 HydrophobicContact CG1-CB 4.42Å; V388-K442 PolarHBondContact N-O 3.21Å; V388-K442 PolarHBondContact O-N 2.88Å; V388-K442 VanDerWaalsContact O-N 3.1Å; V388-F444 HydrophobicContact CB-CE2 4.05Å; V388-F444 HydrophobicContact CG2-CD2 3.83Å; V388-F444 HydrophobicContact CG2-CE2 3.64Å
389	E	98.1	Very high	91.5	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.2	164.8	176.4	-168.4	-159.1	0	0	110.2	L401 W405 A421 K422 M423 P439 L441	E389-L401 HydrophobicContact CG-CD2 4.45Å; E389-W405 HydrophobicContact CB-CD2 4.03Å; E389-W405 VanDerWaalsContact CB-CE2 3.49Å; E389-W405 HydrophobicContact CB-CG 4.41Å; E389-W405 HydrophobicContact CB-CH2 4.33Å; E389-W405 HydrophobicContact CB-CZ2 3.68Å; E389-A421 PolarHBondContact N-O 3.4Å; E389-K422 HydrophobicContact CB-CB 4.18Å; E389-K422 CarbonylContact O-C 3.52Å; E389-K422 VanDerWaalsContact O-CA 3.25Å; E389-K422 WeakPolarHBondContact O-CA 3.49Å; E389-M423 PolarHBondContact O-N 3.32Å; E389-P439 HydrophobicContact CG-CB 4.35Å; E389-L441 HydrophobicContact CB-CD2 3.73Å; E389-L441 HydrophobicContact CG-CD2 3.82Å
390	F	96.4	Very high	91.3	Very high	1 Å²	1	48 Å²	48	0%	0.004	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	114.6	169.4	-60.5	-95.8	0	0	0	108.6	F375 V388 M423 V433 V435 P439 T440 K442 F444	F375-F390 AromaticContact CE2-CE1 3.75Å; F375-F390 HydrophobicContact CE2-CE1 3.75Å; F375-F390 AromaticContact CE2-CZ 3.56Å; F375-F390 HydrophobicContact CE2-CZ 3.56Å; F375-F390 HydrophobicContact CZ-CE1 4.19Å; F375-F390 AromaticContact CZ-CZ 3.77Å; F375-F390 HydrophobicContact CZ-CZ 3.77Å; V388-F390 HydrophobicContact CB-CD2 4.44Å; V388-F390 HydrophobicContact CB-CE2 3.72Å; V388-F390 HydrophobicContact CB-CZ 4.02Å; V388-F390 HydrophobicContact CG1-CD2 4.26Å; V388-F390 HydrophobicContact CG1-CE1 4.31Å; V388-F390 HydrophobicContact CG1-CE2 3.77Å; V388-F390 HydrophobicContact CG1-CZ 3.79Å; F390-M423 WeakPolarHBondContact CA-O 3.39Å; F390-M423 HydrophobicContact CD1-CB 4.4Å; F390-M423 HydrophobicContact CD1-CE 3.56Å; F390-M423 HydrophobicContact CE1-CE 3.41Å; F390-M423 VanDerWaalsContact CE1-CE 3.41Å; F390-M423 HydrophobicContact CE1-SD 4.49Å; F390-V433 HydrophobicContact CD1-CG1 4.33Å; F390-V433 HydrophobicContact CE1-CB 4.42Å; F390-V433 HydrophobicContact CE1-CG1 3.68Å; F390-V433 HydrophobicContact CE2-CG1 4.03Å; F390-V433 HydrophobicContact CZ-CB 4.4Å; F390-V433 HydrophobicContact CZ-CG1 3.53Å; F390-V433 HydrophobicContact CZ-CG2 4.44Å; F390-V435 HydrophobicContact CB-CG1 4Å; F390-V435 HydrophobicContact CB-CG2 3.76Å; F390-V435 HydrophobicContact CD1-CG2 3.7Å; F390-V435 HydrophobicContact CD2-CG2 4.42Å; F390-V435 HydrophobicContact CE1-CG2 4.45Å; F390-V435 HydrophobicContact CG-CG2 3.7Å; F390-P439 WeakPolarHBondContact O-CA 3.46Å; F390-T440 WeakPolarHBondContact CB-O 3.19Å; F390-T440 WeakPolarHBondContact CD2-O 3.46Å; F390-T440 PolarHBondContact N-O 2.98Å; F390-T440 PolarHBondContact O-N 3.37Å; F390-K442 HydrophobicContact CD2-CG 4.46Å; F390-K442 HydrophobicContact CE2-CB 4Å; F390-K442 HydrophobicContact CE2-CD 4.47Å; F390-K442 HydrophobicContact CE2-CG 4.15Å; F390-F444 HydrophobicContact CE2-CE2 4.3Å; F390-F444 HydrophobicContact CE2-CZ 4.39Å; F390-F444 HydrophobicContact CZ-CE2 4.28Å; F390-F444 HydrophobicContact CZ-CZ 4.11Å
391	Y	92.4	Very high	91.4	Very high	53 Å²	53	47 Å²	47	21%	0.208	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	166.7	-171.5	75.2	-85.2	0	0	0	113.1	P393 C398 K422 M423 D424 S425	Y391-P393 HydrophobicContact CE2-CG 4.22Å; Y391-C398 VanDerWaalsContact CB-SG 3.58Å; Y391-K422 HydrophobicContact CD1-CB 4.19Å; Y391-K422 HydrophobicContact CE1-CB 4.03Å; Y391-K422 HydrophobicContact CE1-CD 4.09Å; Y391-K422 HydrophobicContact CE1-CG 4.06Å; Y391-M423 WeakPolarHBondContact CD1-O 3.43Å; Y391-M423 VanDerWaalsContact CE1-C 3.44Å; Y391-M423 PolarHBondContact N-O 3.01Å; Y391-D424 HydrophobicContact CE1-CB 4.22Å; Y391-D424 HydrophobicContact CE2-CB 4.25Å; Y391-S425 PolarHBondContact O-N 3.38Å
392	A	84.4	Confident	91.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	25%	0.246	C	C	.	.			trans	-118.6	133.3	166.1	0	0	0	0	0	109.8	W394 C395 T426 F438	A392-W394 HydrophobicContact CB-CD2 4.38Å; A392-W394 HydrophobicContact CB-CZ2 4.33Å; A392-W394 PolarHBondContact O-N 2.94Å; A392-C395 HydrophobicContact CB-CB 4.13Å; A392-C395 WeakPolarHBondContact O-CB 3.43Å; A392-C395 PolarHBondContact O-N 3.47Å; A392-T426 HydrophobicContact CB-CG2 3.43Å; A392-T426 VanDerWaalsContact CB-CG2 3.43Å; A392-F438 HydrophobicContact CB-CB 4.3Å; A392-F438 HydrophobicContact CB-CD1 4.32Å; A392-F438 HydrophobicContact CB-CD2 3.57Å; A392-F438 HydrophobicContact CB-CE2 3.89Å; A392-F438 HydrophobicContact CB-CG 3.8Å; A392-F438 HydrophobicContact CB-CZ 4.4Å
393	P	81.3	Confident	91.6	Very high	57 Å²	57	45.9 Å²	45.9	37%	0.37	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.6	-174.8	-27.2	34.2	0	0	0	115	Y391 K399 D424	Y391-P393 HydrophobicContact CE2-CG 4.22Å; P393-K399 WeakPolarHBondContact O-CE 3.17Å; P393-D424 WeakPolarHBondContact CD-OD1 3.45Å; P393-D424 WeakPolarHBondContact CD-OD2 3.37Å; P393-D424 WeakPolarHBondContact CG-OD2 3.34Å
394	W	75.7	Confident	91.7	Very high	100 Å²	100	43.7 Å²	43.7	38%	0.379	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-9.2	-179.9	53.4	85.4	0	0	0	114.3	A392 G396 T426	A392-W394 HydrophobicContact CB-CD2 4.38Å; A392-W394 HydrophobicContact CB-CZ2 4.33Å; A392-W394 PolarHBondContact O-N 2.94Å; W394-G396 PolarHBondContact O-N 3.03Å; W394-T426 VanDerWaalsContact CH2-CB 3.48Å; W394-T426 HydrophobicContact CH2-CG2 3.37Å; W394-T426 HydrophobicContact CZ2-CG2 3.5Å; W394-T426 VanDerWaalsContact CZ2-CG2 3.5Å; W394-T426 HydrophobicContact CZ3-CG2 4.09Å
395	C	82.9	Confident	91.8	Very high	19 Å²	19	41.2 Å²	41.2	13%	0.128	22%	0.218	C	C	.	.			trans	-70.8	125.6	-177	177.5	0	0	0	0	111.4	A392 H397 C398 K399 F438	A392-C395 HydrophobicContact CB-CB 4.13Å; A392-C395 WeakPolarHBondContact O-CB 3.43Å; A392-C395 PolarHBondContact O-N 3.47Å; C395-H397 PolarHBondContact SG-N 2.95Å; C395-C398 HydrophobicContact CB-CB 3.99Å; C395-C398 VanDerWaalsContact CB-SG 3.54Å; C395-C398 PolarHBondContact O-N 2.94Å; C395-C398 VanDerWaalsContact SG-SG 3.63Å; C395-K399 WeakPolarHBondContact O-CG 3.47Å; C395-K399 PolarHBondContact O-N 3.28Å; C395-K399 VanDerWaalsContact O-N 3.16Å; C395-F438 HydrophobicContact CB-CB 4.19Å; C395-F438 PolarHBondContact SG-O 3.45Å; C395-F438 VanDerWaalsContact SG-O 3.34Å
396	G	80.6	Confident	91.8	Very high	44 Å²	44	45.1 Å²	45.1	45%	0.454	24%	0.235	S	C	.	.	H	α-helix	trans	-62.4	-42.3	177.7	0	0	0	0	0	112.8	W394 C398 K399 Q400	W394-G396 PolarHBondContact O-N 3.03Å; G396-C398 PolarHBondContact O-N 3.08Å; G396-K399 WeakPolarHBondContact O-CB 3.47Å; G396-K399 PolarHBondContact O-N 2.95Å; G396-Q400 WeakPolarHBondContact O-CG 3.41Å; G396-Q400 PolarHBondContact O-N 3.37Å
397	H	84.1	Confident	91.8	Very high	112 Å²	112	50.2 Å²	50.2	52%	0.519	26%	0.259	S	S	.	.	H	α-helix	trans	-65.3	-37.9	178.1	-62	-62.7	0	0	0	112.5	C395 K399 Q400 L401	C395-H397 PolarHBondContact SG-N 2.95Å; H397-K399 VanDerWaalsContact C-N 3.34Å; H397-K399 PolarHBondContact O-N 3.13Å; H397-Q400 PolarHBondContact O-N 3.45Å; H397-L401 PolarHBondContact O-N 3.15Å
398	C	91.3	Very high	91.8	Very high	6 Å²	6	50.2 Å²	50.2	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-41.6	173	-60.4	0	0	0	0	111.3	Y391 C395 G396 Q400 L401 A402	Y391-C398 VanDerWaalsContact CB-SG 3.58Å; C395-C398 HydrophobicContact CB-CB 3.99Å; C395-C398 VanDerWaalsContact CB-SG 3.54Å; C395-C398 PolarHBondContact O-N 2.94Å; C395-C398 VanDerWaalsContact SG-SG 3.63Å; G396-C398 PolarHBondContact O-N 3.08Å; C398-Q400 VanDerWaalsContact C-N 3.3Å; C398-Q400 PolarHBondContact O-N 3.29Å; C398-L401 PolarHBondContact O-N 3.42Å; C398-A402 PolarHBondContact O-N 3.23Å
399	K	90.3	Very high	91.8	Very high	133 Å²	133	50.2 Å²	50.2	58%	0.578	26%	0.259	S	S	*	.	H	α-helix	trans	-64.1	-35.3	177.1	-70.3	175.8	-177.9	176.7	0	112.6	P393 C395 G396 H397	P393-K399 WeakPolarHBondContact O-CE 3.17Å; C395-K399 WeakPolarHBondContact O-CG 3.47Å; C395-K399 PolarHBondContact O-N 3.28Å; C395-K399 VanDerWaalsContact O-N 3.16Å; G396-K399 WeakPolarHBondContact O-CB 3.47Å; G396-K399 PolarHBondContact O-N 2.95Å; H397-K399 VanDerWaalsContact C-N 3.34Å; H397-K399 PolarHBondContact O-N 3.13Å
400	Q	92.3	Very high	91.8	Very high	140 Å²	140	54.3 Å²	54.3	65%	0.654	28%	0.278	S	S	*	.	H	α-helix	trans	-68.4	-36.8	173.9	-72.2	171.6	-14.1	0	0	112	G396 H397 C398 P403	G396-Q400 WeakPolarHBondContact O-CG 3.41Å; G396-Q400 PolarHBondContact O-N 3.37Å; H397-Q400 PolarHBondContact O-N 3.45Å; C398-Q400 VanDerWaalsContact C-N 3.3Å; C398-Q400 PolarHBondContact O-N 3.29Å; Q400-P403 WeakPolarHBondContact O-CD 3.41Å
401	L	95.7	Very high	91.9	Very high	7 Å²	7	59.4 Å²	59.4	4%	0.037	30%	0.3	C	S	.	.	H	α-helix	trans	-74.9	-31.7	179.2	179.2	59.5	0	0	0	113.2	E389 H397 C398 P403 I404 W405 P439 L441 R459 F464	E389-L401 HydrophobicContact CG-CD2 4.45Å; H397-L401 PolarHBondContact O-N 3.15Å; C398-L401 PolarHBondContact O-N 3.42Å; L401-P403 VanDerWaalsContact C-CD 3.49Å; L401-I404 HydrophobicContact CD1-CB 4.25Å; L401-I404 WeakPolarHBondContact O-CB 3.17Å; L401-I404 PolarHBondContact O-N 3.32Å; L401-W405 PolarHBondContact O-N 3.43Å; L401-P439 HydrophobicContact CD2-CB 3.98Å; L401-P439 HydrophobicContact CD2-CG 3.74Å; L401-L441 HydrophobicContact CD2-CD1 4.21Å; L401-L441 HydrophobicContact CD2-CD2 3.98Å; L401-R459 HydrophobicContact CD1-CB 4.29Å; L401-F464 HydrophobicContact CD1-CE2 3.74Å; L401-F464 HydrophobicContact CD1-CZ 3.64Å
402	A	96	Very high	92.1	Very high	35 Å²	35	58 Å²	58	29%	0.289	30%	0.295	S	S	.	.	H	α-helix	trans	-49.6	-45.3	-171.8	0	0	0	0	0	114.9	C398 I404 W405 E406	C398-A402 PolarHBondContact O-N 3.23Å; A402-I404 VanDerWaalsContact C-N 3.32Å; A402-I404 PolarHBondContact O-N 2.94Å; A402-W405 PolarHBondContact O-N 3.45Å; A402-E406 WeakPolarHBondContact O-CG 3.25Å; A402-E406 PolarHBondContact O-N 2.92Å
403	P	97.5	Very high	92.7	Very high	69 Å²	69	63 Å²	63	45%	0.448	32%	0.316	S	S	.	.	H	α-helix	trans	-63.4	-35.7	177.5	-21.5	33.9	0	0	0	113.5	Q400 L401 Q407	Q400-P403 WeakPolarHBondContact O-CD 3.41Å; L401-P403 VanDerWaalsContact C-CD 3.49Å; P403-Q407 WeakPolarHBondContact O-CG 3.35Å; P403-Q407 PolarHBondContact O-N 3.08Å; P403-Q407 VanDerWaalsContact O-N 3.13Å
404	I	98.2	Very high	93.3	Very high	46 Å²	46	67.2 Å²	67.2	24%	0.236	34%	0.336	C	S	.	.	H	α-helix	trans	-71.8	-40	178.6	-56.1	173.5	0	0	0	109.6	L401 A402 E406 Q407 L408 R459 L461 F464	L401-I404 HydrophobicContact CD1-CB 4.25Å; L401-I404 WeakPolarHBondContact O-CB 3.17Å; L401-I404 PolarHBondContact O-N 3.32Å; A402-I404 VanDerWaalsContact C-N 3.32Å; A402-I404 PolarHBondContact O-N 2.94Å; I404-E406 VanDerWaalsContact C-N 3.34Å; I404-E406 PolarHBondContact O-N 3.48Å; I404-Q407 WeakPolarHBondContact O-CB 3.2Å; I404-Q407 PolarHBondContact O-N 3.31Å; I404-L408 PolarHBondContact O-N 3.02Å; I404-R459 WeakPolarHBondContact CD1-O 3.38Å; I404-L461 HydrophobicContact CG2-CB 4.18Å; I404-F464 HydrophobicContact CG2-CD2 4.08Å; I404-F464 HydrophobicContact CG2-CE2 3.74Å
405	W	98.3	Very high	94.3	Very high	3 Å²	3	64.2 Å²	64.2	1%	0.011	33%	0.33	C	S	.	.	H	α-helix	trans	-64.6	-38	176.2	-156.8	-112.3	0	0	0	112.3	V367 F387 E389 L401 A402 L408 G409 V420 A421 L441 F464	V367-W405 WeakPolarHBondContact CG2-O 3.48Å; F387-W405 AromaticContact CD1-CH2 3.39Å; F387-W405 HydrophobicContact CD1-CH2 3.39Å; F387-W405 HydrophobicContact CD1-CZ2 4.26Å; F387-W405 AromaticContact CD1-CZ3 3.94Å; F387-W405 HydrophobicContact CD1-CZ3 3.94Å; F387-W405 HydrophobicContact CD2-CH2 4.15Å; F387-W405 AromaticContact CE1-CH2 3.44Å; F387-W405 HydrophobicContact CE1-CH2 3.44Å; F387-W405 VanDerWaalsContact CE1-CH2 3.44Å; F387-W405 AromaticContact CE1-CZ3 3.6Å; F387-W405 HydrophobicContact CE1-CZ3 3.6Å; F387-W405 HydrophobicContact CE2-CH2 4.18Å; F387-W405 AromaticContact CG-CH2 3.76Å; F387-W405 HydrophobicContact CG-CH2 3.76Å; F387-W405 HydrophobicContact CG-CZ2 4.39Å; F387-W405 AromaticContact CZ-CH2 3.84Å; F387-W405 HydrophobicContact CZ-CH2 3.84Å; F387-W405 HydrophobicContact CZ-CZ3 4.08Å; E389-W405 HydrophobicContact CB-CD2 4.03Å; E389-W405 VanDerWaalsContact CB-CE2 3.49Å; E389-W405 HydrophobicContact CB-CG 4.41Å; E389-W405 HydrophobicContact CB-CH2 4.33Å; E389-W405 HydrophobicContact CB-CZ2 3.68Å; L401-W405 PolarHBondContact O-N 3.43Å; A402-W405 PolarHBondContact O-N 3.45Å; W405-L408 HydrophobicContact CE3-CD2 4Å; W405-L408 HydrophobicContact CH2-CD2 4.29Å; W405-L408 HydrophobicContact CZ3-CD2 3.88Å; W405-L408 WeakPolarHBondContact O-CB 3.4Å; W405-L408 PolarHBondContact O-N 2.9Å; W405-G409 PolarHBondContact O-N 3.23Å; W405-V420 HydrophobicContact CD2-CG1 4.29Å; W405-V420 HydrophobicContact CZ2-CG1 3.96Å; W405-A421 WeakPolarHBondContact CZ2-O 3.5Å; W405-A421 PolarHBondContact NE1-O 3.17Å; W405-L441 HydrophobicContact CE3-CD2 4.49Å; W405-L441 HydrophobicContact CH2-CD2 3.96Å; W405-L441 HydrophobicContact CZ3-CD1 4.09Å; W405-L441 HydrophobicContact CZ3-CD2 3.92Å; W405-F464 HydrophobicContact CE3-CD2 4.37Å; W405-F464 HydrophobicContact CE3-CE2 4.03Å; W405-F464 HydrophobicContact CE3-CZ 4.22Å; W405-F464 HydrophobicContact CZ3-CD1 4.35Å; W405-F464 HydrophobicContact CZ3-CD2 4.4Å; W405-F464 HydrophobicContact CZ3-CE1 4.16Å; W405-F464 HydrophobicContact CZ3-CE2 4.23Å; W405-F464 HydrophobicContact CZ3-CG 4.48Å; W405-F464 HydrophobicContact CZ3-CZ 4.1Å
406	E	97.9	Very high	94.7	Very high	115 Å²	115	68.1 Å²	68.1	54%	0.537	36%	0.358	S	S	.	.	H	α-helix	trans	-62.8	-42.5	172.2	-74.5	176.7	179.5	0	0	112.3	A402 I404 L408 G409 E410	A402-E406 WeakPolarHBondContact O-CG 3.25Å; A402-E406 PolarHBondContact O-N 2.92Å; I404-E406 VanDerWaalsContact C-N 3.34Å; I404-E406 PolarHBondContact O-N 3.48Å; E406-L408 VanDerWaalsContact C-N 3.33Å; E406-L408 PolarHBondContact O-N 2.87Å; E406-G409 PolarHBondContact O-N 3.02Å; E406-E410 PolarHBondContact O-N 3.16Å
407	Q	97.9	Very high	95.4	Very high	107 Å²	107	69.1 Å²	69.1	50%	0.5	35%	0.352	S	S	.	.	H	α-helix	trans	-62.4	-40	174.3	-71.2	173.5	18.3	0	0	112.1	P403 I404 E410 K411 L461	P403-Q407 WeakPolarHBondContact O-CG 3.35Å; P403-Q407 PolarHBondContact O-N 3.08Å; P403-Q407 VanDerWaalsContact O-N 3.13Å; I404-Q407 WeakPolarHBondContact O-CB 3.2Å; I404-Q407 PolarHBondContact O-N 3.31Å; Q407-E410 PolarHBondContact O-N 2.89Å; Q407-K411 WeakPolarHBondContact O-CB 3.09Å; Q407-K411 PolarHBondContact O-N 2.83Å; Q407-L461 HydrophobicContact CB-CD1 4.22Å; Q407-L461 HydrophobicContact CB-CD2 4.26Å
408	L	98.3	Very high	96	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-62.8	-46.3	175.7	-173	69.3	0	0	0	111.1	F387 I404 W405 E406 E410 K411 Y412 V420 L461 F464 L468	F387-L408 HydrophobicContact CD1-CD2 3.95Å; F387-L408 HydrophobicContact CE1-CD2 4.18Å; I404-L408 PolarHBondContact O-N 3.02Å; W405-L408 HydrophobicContact CE3-CD2 4Å; W405-L408 HydrophobicContact CH2-CD2 4.29Å; W405-L408 HydrophobicContact CZ3-CD2 3.88Å; W405-L408 WeakPolarHBondContact O-CB 3.4Å; W405-L408 PolarHBondContact O-N 2.9Å; E406-L408 VanDerWaalsContact C-N 3.33Å; E406-L408 PolarHBondContact O-N 2.87Å; L408-E410 VanDerWaalsContact C-N 3.34Å; L408-E410 PolarHBondContact O-N 3.13Å; L408-K411 WeakPolarHBondContact O-CB 3.4Å; L408-K411 PolarHBondContact O-N 3.48Å; L408-Y412 HydrophobicContact CD1-CD2 3.87Å; L408-Y412 HydrophobicContact CD1-CE2 3.64Å; L408-Y412 HydrophobicContact CG-CD2 4.28Å; L408-Y412 WeakPolarHBondContact O-CD2 3.42Å; L408-Y412 PolarHBondContact O-N 2.83Å; L408-Y412 VanDerWaalsContact O-N 3.15Å; L408-V420 HydrophobicContact CD2-CG1 4.17Å; L408-V420 HydrophobicContact CD2-CG2 4.28Å; L408-V420 HydrophobicContact CG-CG1 4.4Å; L408-V420 HydrophobicContact CG-CG2 4.03Å; L408-L461 HydrophobicContact CB-CD1 3.98Å; L408-L461 HydrophobicContact CD1-CD1 3.9Å; L408-F464 HydrophobicContact CD1-CB 3.73Å; L408-F464 HydrophobicContact CD2-CB 3.73Å; L408-F464 HydrophobicContact CD2-CD2 4.05Å; L408-F464 HydrophobicContact CD2-CG 4.03Å; L408-F464 HydrophobicContact CG-CB 4.35Å; L408-L468 HydrophobicContact CD1-CD1 4.02Å; L408-L468 HydrophobicContact CD2-CD1 4.32Å; L408-L468 HydrophobicContact CG-CD1 4.42Å
409	G	98.1	Very high	96.4	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-57.4	-46.3	174.3	0	0	0	0	0	112.3	P366 W405 E406 K411 Y412 K413	P366-G409 WeakPolarHBondContact CB-O 3.45Å; W405-G409 PolarHBondContact O-N 3.23Å; E406-G409 PolarHBondContact O-N 3.02Å; G409-K411 VanDerWaalsContact C-N 3.32Å; G409-K411 PolarHBondContact O-N 2.86Å; G409-Y412 CarbonylContact O-C 3.58Å; G409-Y412 PolarHBondContact O-N 2.84Å; G409-K413 PolarHBondContact O-N 3.49Å
410	E	98.1	Very high	96.8	Very high	92 Å²	92	60 Å²	60	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-39.6	177.5	-176.4	60.9	-160.8	0	0	112.2	P366 E406 Q407 L408 Y412 K413	P366-E410 VanDerWaalsContact CG-OE2 3.24Å; P366-E410 WeakPolarHBondContact CG-OE2 3.37Å; E406-E410 PolarHBondContact O-N 3.16Å; Q407-E410 PolarHBondContact O-N 2.89Å; L408-E410 VanDerWaalsContact C-N 3.34Å; L408-E410 PolarHBondContact O-N 3.13Å; E410-Y412 VanDerWaalsContact C-N 3.34Å; E410-Y412 PolarHBondContact O-N 2.88Å; E410-K413 WeakPolarHBondContact O-CD 3.23Å; E410-K413 WeakPolarHBondContact O-CG 3.46Å; E410-K413 WeakPolarHBondContact OE1-CD 3.33Å; E410-K413 WeakPolarHBondContact OE1-CE 3.33Å; E410-K413 IonicContact OE1-NZ 2.62Å; E410-K413 PolarHBondContact OE1-NZ 3.39Å
411	K	97.9	Very high	97.1	Very high	107 Å²	107	53.3 Å²	53.3	47%	0.465	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-38.9	177.5	-177.1	173.1	179.6	173.3	0	112.8	Q407 L408 G409 T465	Q407-K411 WeakPolarHBondContact O-CB 3.09Å; Q407-K411 PolarHBondContact O-N 2.83Å; L408-K411 WeakPolarHBondContact O-CB 3.4Å; L408-K411 PolarHBondContact O-N 3.48Å; G409-K411 VanDerWaalsContact C-N 3.32Å; G409-K411 PolarHBondContact O-N 2.86Å; K411-T465 PolarHBondContact NZ-OG1 2.73Å
412	Y	97.4	Very high	97.2	Very high	25 Å²	25	55.7 Å²	55.7	10%	0.098	29%	0.292	C	S	.	.	H	α-helix	trans	-102.4	9.3	-176.5	-69.7	-77.5	0	0	0	114.5	L408 G409 E410 D414 S415 I418 V420 L468	L408-Y412 HydrophobicContact CD1-CD2 3.87Å; L408-Y412 HydrophobicContact CD1-CE2 3.64Å; L408-Y412 HydrophobicContact CG-CD2 4.28Å; L408-Y412 WeakPolarHBondContact O-CD2 3.42Å; L408-Y412 PolarHBondContact O-N 2.83Å; L408-Y412 VanDerWaalsContact O-N 3.15Å; G409-Y412 CarbonylContact O-C 3.58Å; G409-Y412 PolarHBondContact O-N 2.84Å; E410-Y412 VanDerWaalsContact C-N 3.34Å; E410-Y412 PolarHBondContact O-N 2.88Å; Y412-D414 PolarHBondContact O-N 2.59Å; Y412-D414 VanDerWaalsContact O-N 3.13Å; Y412-S415 WeakPolarHBondContact O-CB 3.42Å; Y412-S415 PolarHBondContact O-N 3.17Å; Y412-I418 HydrophobicContact CD1-CB 4.06Å; Y412-I418 HydrophobicContact CD1-CD1 3.56Å; Y412-I418 HydrophobicContact CD1-CG1 4.41Å; Y412-I418 HydrophobicContact CD1-CG2 3.98Å; Y412-I418 HydrophobicContact CE1-CD1 3.41Å; Y412-I418 VanDerWaalsContact CE1-CD1 3.41Å; Y412-I418 HydrophobicContact CG-CB 4.41Å; Y412-I418 HydrophobicContact CG-CD1 4.5Å; Y412-I418 HydrophobicContact CG-CG2 3.91Å; Y412-V420 HydrophobicContact CD2-CG2 4.43Å; Y412-L468 HydrophobicContact CD2-CD1 3.92Å; Y412-L468 HydrophobicContact CE2-CD1 3.5Å
413	K	96.3	Very high	97.2	Very high	105 Å²	105	54.1 Å²	54.1	46%	0.457	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.3	-175.9	75.8	-173.8	179.4	-179.9	0	114.8	P366 G409 E410	P366-K413 HydrophobicContact CB-CB 4.01Å; P366-K413 HydrophobicContact CG-CB 4.43Å; G409-K413 PolarHBondContact O-N 3.49Å; E410-K413 WeakPolarHBondContact O-CD 3.23Å; E410-K413 WeakPolarHBondContact O-CG 3.46Å; E410-K413 WeakPolarHBondContact OE1-CD 3.33Å; E410-K413 WeakPolarHBondContact OE1-CE 3.33Å; E410-K413 IonicContact OE1-NZ 2.62Å; E410-K413 PolarHBondContact OE1-NZ 3.39Å
414	D	95.3	Very high	97	Very high	146 Å²	146	51.7 Å²	51.7	78%	0.781	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	6.2	-179.3	-63.2	-50	0	0	0	112	Y412	Y412-D414 PolarHBondContact O-N 2.59Å; Y412-D414 VanDerWaalsContact O-N 3.13Å
415	S	95	Very high	96.6	Very high	37 Å²	37	50.4 Å²	50.4	26%	0.259	26%	0.257	S	S	.	.			trans	-66.1	136.6	177.6	-176	0	0	0	0	111.1	Y412 D417 I418	Y412-S415 WeakPolarHBondContact O-CB 3.42Å; Y412-S415 PolarHBondContact O-N 3.17Å; S415-D417 VanDerWaalsContact C-N 3.32Å; S415-D417 PolarHBondContact OG-N 3.46Å; S415-D417 PolarHBondContact OG-OD1 3.42Å; S415-I418 PolarHBondContact OG-N 2.89Å; S415-I418 VanDerWaalsContact OG-N 3.08Å
416	S	93	Very high	95.6	Very high	101 Å²	101	50.5 Å²	50.5	71%	0.706	26%	0.258	S	S	*	.	S	Bend	trans	-77.6	-19.5	178.2	52.9	0	0	0	0	113.3	K384	K384-S416 PolarHBondContact NZ-O 3.22Å
417	D	94.1	Very high	94.9	Very high	64 Å²	64	45.8 Å²	45.8	34%	0.342	24%	0.239	S	C	.	.	S	Bend	trans	-132	-17.8	-171	65	-34.1	0	0	0	113.9	K384 N385 S415	K384-D417 CarbonylContact C-O 3.54Å; K384-D417 WeakPolarHBondContact CA-O 3.48Å; N385-D417 PolarHBondContact N-O 2.92Å; N385-D417 PolarHBondContact ND2-OD2 3.37Å; S415-D417 VanDerWaalsContact C-N 3.32Å; S415-D417 PolarHBondContact OG-N 3.46Å; S415-D417 PolarHBondContact OG-OD1 3.42Å
418	I	97.9	Very high	94.3	Very high	22 Å²	22	40.7 Å²	40.7	11%	0.113	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	134.5	179	-63.7	167.3	0	0	0	111.3	N385 Y412 S415 V420 L468	N385-I418 HydrophobicContact CB-CG1 4.15Å; N385-I418 CarbonylContact O-C 3.37Å; N385-I418 WeakPolarHBondContact O-CA 3.4Å; Y412-I418 HydrophobicContact CD1-CB 4.06Å; Y412-I418 HydrophobicContact CD1-CD1 3.56Å; Y412-I418 HydrophobicContact CD1-CG1 4.41Å; Y412-I418 HydrophobicContact CD1-CG2 3.98Å; Y412-I418 HydrophobicContact CE1-CD1 3.41Å; Y412-I418 VanDerWaalsContact CE1-CD1 3.41Å; Y412-I418 HydrophobicContact CG-CB 4.41Å; Y412-I418 HydrophobicContact CG-CD1 4.5Å; Y412-I418 HydrophobicContact CG-CG2 3.91Å; S415-I418 PolarHBondContact OG-N 2.89Å; S415-I418 VanDerWaalsContact OG-N 3.08Å; I418-V420 HydrophobicContact CG2-CG2 4.49Å; I418-L468 HydrophobicContact CD1-CB 4.43Å; I418-L468 HydrophobicContact CG2-CD1 4.26Å; I418-L468 HydrophobicContact CG2-CD2 4.29Å
419	I	98.3	Very high	93.5	Very high	34 Å²	34	42.2 Å²	42.2	17%	0.174	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.8	170.7	-62.2	177.3	0	0	0	108.6	K368 V378 K384 N385 V386 F387 A421	K368-I419 HydrophobicContact CB-CG2 4.4Å; K368-I419 HydrophobicContact CG-CG2 3.72Å; V378-I419 HydrophobicContact CG1-CD1 4.37Å; V378-I419 HydrophobicContact CG1-CG2 4.49Å; K384-I419 HydrophobicContact CB-CD1 3.98Å; K384-I419 HydrophobicContact CB-CG1 4.43Å; K384-I419 HydrophobicContact CD-CD1 4.07Å; K384-I419 HydrophobicContact CD-CG1 4.38Å; K384-I419 HydrophobicContact CG-CD1 3.82Å; N385-I419 PolarHBondContact O-N 3.11Å; V386-I419 CarbonylContact C-O 3.56Å; V386-I419 WeakPolarHBondContact CA-O 3.09Å; V386-I419 HydrophobicContact CB-CB 4.5Å; V386-I419 HydrophobicContact CG1-CB 4.16Å; V386-I419 HydrophobicContact CG1-CG2 4.14Å; V386-I419 HydrophobicContact CG2-CB 4.16Å; V386-I419 HydrophobicContact CG2-CD1 4.36Å; F387-I419 PolarHBondContact N-O 2.93Å; I419-A421 HydrophobicContact CG2-CB 4.42Å
420	V	98.6	Very high	92.9	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.6	169.2	-175.8	0	0	0	0	107.9	V367 K368 W405 L408 Y412 I418	V367-V420 WeakPolarHBondContact CA-O 3.39Å; V367-V420 HydrophobicContact CG2-CG1 4.25Å; K368-V420 PolarHBondContact N-O 3.19Å; W405-V420 HydrophobicContact CD2-CG1 4.29Å; W405-V420 HydrophobicContact CZ2-CG1 3.96Å; L408-V420 HydrophobicContact CD2-CG1 4.17Å; L408-V420 HydrophobicContact CD2-CG2 4.28Å; L408-V420 HydrophobicContact CG-CG1 4.4Å; L408-V420 HydrophobicContact CG-CG2 4.03Å; Y412-V420 HydrophobicContact CD2-CG2 4.43Å; I418-V420 HydrophobicContact CG2-CG2 4.49Å
421	A	98.6	Very high	91.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	166.4	-174.4	0	0	0	0	0	112.2	K368 L370 V386 F387 V388 E389 W405 I419	K368-A421 HydrophobicContact CB-CB 4.04Å; K368-A421 CarbonylContact O-C 3.5Å; K368-A421 WeakPolarHBondContact O-CA 3.46Å; L370-A421 HydrophobicContact CD1-CB 3.87Å; L370-A421 HydrophobicContact CD2-CB 4.49Å; L370-A421 HydrophobicContact CG-CB 3.94Å; V386-A421 HydrophobicContact CG1-CB 4.46Å; F387-A421 PolarHBondContact O-N 3.43Å; V388-A421 WeakPolarHBondContact CA-O 3.42Å; V388-A421 HydrophobicContact CG2-CB 4.29Å; E389-A421 PolarHBondContact N-O 3.4Å; W405-A421 WeakPolarHBondContact CZ2-O 3.5Å; W405-A421 PolarHBondContact NE1-O 3.17Å; I419-A421 HydrophobicContact CG2-CB 4.42Å
422	K	98.1	Very high	90.7	Very high	56 Å²	56	45.6 Å²	45.6	24%	0.243	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.2	173.6	66.2	-177.1	178.2	-176.4	0	111	V367 K368 L370 E389 Y391	V367-K422 HydrophobicContact CG1-CB 4.2Å; V367-K422 HydrophobicContact CG1-CD 4.05Å; V367-K422 HydrophobicContact CG1-CG 3.92Å; K368-K422 PolarHBondContact O-N 3.33Å; L370-K422 PolarHBondContact N-O 3Å; E389-K422 HydrophobicContact CB-CB 4.18Å; E389-K422 CarbonylContact O-C 3.52Å; E389-K422 VanDerWaalsContact O-CA 3.25Å; E389-K422 WeakPolarHBondContact O-CA 3.49Å; Y391-K422 HydrophobicContact CD1-CB 4.19Å; Y391-K422 HydrophobicContact CE1-CB 4.03Å; Y391-K422 HydrophobicContact CE1-CD 4.09Å; Y391-K422 HydrophobicContact CE1-CG 4.06Å
423	M	96.8	Very high	90	Very high	3 Å²	3	45 Å²	45	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	130.3	176.1	-169.8	170.6	82.8	0	0	110.3	L370 F375 V388 E389 F390 Y391 S425 N428 I430	L370-M423 HydrophobicContact CB-CB 4.15Å; L370-M423 HydrophobicContact CB-CG 4.36Å; L370-M423 HydrophobicContact CB-SD 4.41Å; L370-M423 WeakPolarHBondContact O-CG 3.32Å; F375-M423 HydrophobicContact CB-SD 4.39Å; F375-M423 HydrophobicContact CD2-CE 4.35Å; F375-M423 HydrophobicContact CD2-SD 3.61Å; F375-M423 HydrophobicContact CE2-SD 4.31Å; F375-M423 HydrophobicContact CG-SD 4.27Å; V388-M423 HydrophobicContact CG1-CB 4.42Å; E389-M423 PolarHBondContact O-N 3.32Å; F390-M423 WeakPolarHBondContact CA-O 3.39Å; F390-M423 HydrophobicContact CD1-CB 4.4Å; F390-M423 HydrophobicContact CD1-CE 3.56Å; F390-M423 HydrophobicContact CE1-CE 3.41Å; F390-M423 VanDerWaalsContact CE1-CE 3.41Å; F390-M423 HydrophobicContact CE1-SD 4.49Å; Y391-M423 WeakPolarHBondContact CD1-O 3.43Å; Y391-M423 VanDerWaalsContact CE1-C 3.44Å; Y391-M423 PolarHBondContact N-O 3.01Å; M423-S425 PolarHBondContact O-N 2.78Å; M423-S425 VanDerWaalsContact O-N 3.16Å; M423-N428 HydrophobicContact CE-CB 4.19Å; M423-N428 HydrophobicContact CG-CB 4.04Å; M423-N428 HydrophobicContact SD-CB 3.95Å; M423-I430 HydrophobicContact CE-CD1 4.26Å; M423-I430 HydrophobicContact CE-CG1 3.56Å; M423-I430 HydrophobicContact SD-CD1 4.18Å; M423-I430 HydrophobicContact SD-CG1 4.08Å
424	D	92.8	Very high	89	Confident	17 Å²	17	45 Å²	45	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	104	168.6	-176.8	-15.7	0	0	0	108.8	Y391 P393 T426 A427 N428	Y391-D424 HydrophobicContact CE1-CB 4.22Å; Y391-D424 HydrophobicContact CE2-CB 4.25Å; P393-D424 WeakPolarHBondContact CD-OD1 3.45Å; P393-D424 WeakPolarHBondContact CD-OD2 3.37Å; P393-D424 WeakPolarHBondContact CG-OD2 3.34Å; D424-T426 PolarHBondContact O-N 3.32Å; D424-T426 WeakPolarHBondContact OD1-CB 3.28Å; D424-T426 PolarHBondContact OD1-N 3.36Å; D424-T426 PolarHBondContact OD1-OG1 2.94Å; D424-A427 PolarHBondContact O-N 3.22Å; D424-A427 PolarHBondContact OD1-N 3.43Å; D424-N428 WeakPolarHBondContact O-CB 3.35Å; D424-N428 PolarHBondContact O-N 3.07Å; D424-N428 VanDerWaalsContact O-N 3.17Å; D424-N428 PolarHBondContact O-ND2 3.05Å
425	S	89.4	Confident	88.4	Confident	20 Å²	20	39.5 Å²	39.5	14%	0.14	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-1.5	-176.2	-172.4	0	0	0	0	112.9	Y391 M423 N428	Y391-S425 PolarHBondContact O-N 3.38Å; M423-S425 PolarHBondContact O-N 2.78Å; M423-S425 VanDerWaalsContact O-N 3.16Å; S425-N428 CarbonylContact C-O 3.51Å
426	T	78.9	Confident	87.4	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.031	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-26.4	174	73	0	0	0	0	111.7	A392 W394 D424 F438	A392-T426 HydrophobicContact CB-CG2 3.43Å; A392-T426 VanDerWaalsContact CB-CG2 3.43Å; W394-T426 VanDerWaalsContact CH2-CB 3.48Å; W394-T426 HydrophobicContact CH2-CG2 3.37Å; W394-T426 HydrophobicContact CZ2-CG2 3.5Å; W394-T426 VanDerWaalsContact CZ2-CG2 3.5Å; W394-T426 HydrophobicContact CZ3-CG2 4.09Å; D424-T426 PolarHBondContact O-N 3.32Å; D424-T426 WeakPolarHBondContact OD1-CB 3.28Å; D424-T426 PolarHBondContact OD1-N 3.36Å; D424-T426 PolarHBondContact OD1-OG1 2.94Å; T426-F438 HydrophobicContact CG2-CE2 4.46Å; T426-F438 HydrophobicContact CG2-CZ 4.33Å
427	A	82.9	Confident	86.8	Confident	16 Å²	16	40 Å²	40	13%	0.132	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-4.4	-179.9	0	0	0	0	0	113.6	Q356 D424	Q356-A427 VanDerWaalsContact CD-CB 3.43Å; Q356-A427 HydrophobicContact CG-CB 3.67Å; D424-A427 PolarHBondContact O-N 3.22Å; D424-A427 PolarHBondContact OD1-N 3.43Å
428	N	85.1	Confident	86.5	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.			trans	-138.5	138.9	-179.2	-56.4	-86	0	0	0	111.1	M354 S355 Q356 V371 G372 M423 D424 S425	M354-N428 CarbonylContact O-C 3.52Å; M354-N428 VanDerWaalsContact O-CA 3.28Å; M354-N428 WeakPolarHBondContact O-CA 3.38Å; S355-N428 WeakPolarHBondContact CA-OD1 3.28Å; Q356-N428 PolarHBondContact N-OD1 2.96Å; Q356-N428 PolarHBondContact OE1-ND2 3.17Å; V371-N428 VanDerWaalsContact CA-OD1 3.3Å; V371-N428 WeakPolarHBondContact CA-OD1 3.32Å; V371-N428 VanDerWaalsContact CB-OD1 3.25Å; V371-N428 WeakPolarHBondContact CB-OD1 3.39Å; G372-N428 PolarHBondContact N-OD1 3.41Å; M423-N428 HydrophobicContact CE-CB 4.19Å; M423-N428 HydrophobicContact CG-CB 4.04Å; M423-N428 HydrophobicContact SD-CB 3.95Å; D424-N428 WeakPolarHBondContact O-CB 3.35Å; D424-N428 PolarHBondContact O-N 3.07Å; D424-N428 VanDerWaalsContact O-N 3.17Å; D424-N428 PolarHBondContact O-ND2 3.05Å; S425-N428 CarbonylContact C-O 3.51Å
429	E	81.8	Confident	86.3	Confident	32 Å²	32	39 Å²	39	15%	0.15	20%	0.195	C	C	.	.			trans	-128.3	137.2	178.7	-65.8	173.4	171	0	0	109.9	K324 L353 M354	K324-E429 WeakPolarHBondContact CD-OE1 3.45Å; K324-E429 WeakPolarHBondContact CE-OE1 3.46Å; K324-E429 IonicContact NZ-OE1 2.67Å; K324-E429 PolarHBondContact NZ-OE1 3.18Å; L353-E429 WeakPolarHBondContact CA-OE2 3.49Å; L353-E429 HydrophobicContact CB-CB 4.38Å; L353-E429 HydrophobicContact CD2-CB 3.89Å; M354-E429 HydrophobicContact CB-CG 4.33Å; M354-E429 PolarHBondContact N-OE2 3.48Å; M354-E429 PolarHBondContact O-N 2.81Å
430	I	84	Confident	86.1	Confident	22 Å²	22	38 Å²	38	11%	0.113	19%	0.191	C	C	.	.			trans	-125.6	130	-179.6	-53.4	-62.5	0	0	0	107.7	F375 M423 E432 V433	F375-I430 HydrophobicContact CB-CD1 3.47Å; F375-I430 VanDerWaalsContact CB-CD1 3.47Å; F375-I430 HydrophobicContact CB-CG1 4.34Å; F375-I430 HydrophobicContact CD1-CB 4.43Å; F375-I430 HydrophobicContact CD1-CD1 3.69Å; F375-I430 HydrophobicContact CD1-CG1 3.85Å; F375-I430 HydrophobicContact CD1-CG2 3.73Å; F375-I430 HydrophobicContact CD2-CD1 4.22Å; F375-I430 HydrophobicContact CD2-CG1 4.2Å; F375-I430 HydrophobicContact CE1-CG1 4.24Å; F375-I430 HydrophobicContact CE1-CG2 3.77Å; F375-I430 HydrophobicContact CG-CD1 3.5Å; F375-I430 HydrophobicContact CG-CG1 3.84Å; M423-I430 HydrophobicContact CE-CD1 4.26Å; M423-I430 HydrophobicContact CE-CG1 3.56Å; M423-I430 HydrophobicContact SD-CD1 4.18Å; M423-I430 HydrophobicContact SD-CG1 4.08Å; I430-E432 VanDerWaalsContact C-N 3.34Å; I430-E432 PolarHBondContact O-N 3.01Å; I430-V433 HydrophobicContact CB-CB 4.09Å; I430-V433 HydrophobicContact CB-CG2 4.42Å; I430-V433 HydrophobicContact CG2-CB 4.1Å; I430-V433 HydrophobicContact CG2-CG2 3.93Å; I430-V433 PolarHBondContact O-N 3.39Å
431	E	75.3	Confident	86	Confident	153 Å²	153	38.1 Å²	38.1	72%	0.715	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-40.5	-174.5	-168.1	171	178.5	0	0	112.2	L353	L353-E431 HydrophobicContact CD1-CB 3.99Å
432	E	75.6	Confident	85.9	Confident	96 Å²	96	38.5 Å²	38.5	45%	0.449	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.7	-175.4	-59.7	93.9	148.3	0	0	114.1	F380 I430 R450	F380-E432 HydrophobicContact CZ-CB 4.4Å; I430-E432 VanDerWaalsContact C-N 3.34Å; I430-E432 PolarHBondContact O-N 3.01Å; E432-R450 IonicContact OE1-CZ 2.62Å; E432-R450 IonicContact OE1-NH2 2.68Å; E432-R450 PolarHBondContact OE1-NH2 3.5Å
433	V	82.2	Confident	85.9	Confident	13 Å²	13	35.9 Å²	35.9	8%	0.079	18%	0.181	C	C	.	.			trans	-119.8	110.6	-175.1	-178.7	0	0	0	0	110.9	F375 F390 I430 V435 K442 F444	F375-V433 HydrophobicContact CE1-CG2 3.92Å; F375-V433 HydrophobicContact CZ-CG2 3.84Å; F390-V433 HydrophobicContact CD1-CG1 4.33Å; F390-V433 HydrophobicContact CE1-CB 4.42Å; F390-V433 HydrophobicContact CE1-CG1 3.68Å; F390-V433 HydrophobicContact CE2-CG1 4.03Å; F390-V433 HydrophobicContact CZ-CB 4.4Å; F390-V433 HydrophobicContact CZ-CG1 3.53Å; F390-V433 HydrophobicContact CZ-CG2 4.44Å; I430-V433 HydrophobicContact CB-CB 4.09Å; I430-V433 HydrophobicContact CB-CG2 4.42Å; I430-V433 HydrophobicContact CG2-CB 4.1Å; I430-V433 HydrophobicContact CG2-CG2 3.93Å; I430-V433 PolarHBondContact O-N 3.39Å; V433-V435 HydrophobicContact CG1-CG2 4.06Å; V433-K442 HydrophobicContact CG1-CD 3.74Å; V433-F444 HydrophobicContact CG2-CE1 3.89Å; V433-F444 HydrophobicContact CG2-CZ 3.82Å
434	K	75.6	Confident	85.8	Confident	104 Å²	104	35.8 Å²	35.8	45%	0.452	18%	0.181	S	C	.	.			trans	-90.6	128.3	176.6	-53.5	-175.8	-173.7	-179	0	110.6	E321 H436 K442	E321-K434 HydrophobicContact CG-CD 4.4Å; E321-K434 WeakPolarHBondContact OE1-CD 3.37Å; E321-K434 WeakPolarHBondContact OE1-CE 3.07Å; E321-K434 IonicContact OE1-NZ 3.09Å; E321-K434 PolarHBondContact OE1-NZ 3.06Å; K434-H436 WeakPolarHBondContact CB-NE2 3.41Å; K434-K442 WeakPolarHBondContact O-CE 3.44Å; K434-K442 PolarHBondContact O-NZ 2.81Å
435	V	82.6	Confident	86	Confident	31 Å²	31	36.3 Å²	36.3	19%	0.188	19%	0.185	C	C	.	.			trans	-127.7	102.9	179.9	-177.7	0	0	0	0	108.3	F390 V433 S437 F438	F390-V435 HydrophobicContact CB-CG1 4Å; F390-V435 HydrophobicContact CB-CG2 3.76Å; F390-V435 HydrophobicContact CD1-CG2 3.7Å; F390-V435 HydrophobicContact CD2-CG2 4.42Å; F390-V435 HydrophobicContact CE1-CG2 4.45Å; F390-V435 HydrophobicContact CG-CG2 3.7Å; V433-V435 HydrophobicContact CG1-CG2 4.06Å; V435-S437 WeakPolarHBondContact CG1-O 3.39Å; V435-F438 HydrophobicContact CG1-CD1 3.82Å; V435-F438 HydrophobicContact CG1-CE1 3.43Å; V435-F438 VanDerWaalsContact CG1-CE1 3.43Å; V435-F438 HydrophobicContact CG1-CZ 4.37Å
436	H	73.8	Confident	86.2	Confident	94 Å²	94	37.4 Å²	37.4	44%	0.435	20%	0.195	S	C	.	.			trans	-96.8	-20.7	-176.7	-58.9	-77.9	0	0	0	112.8	D320 K434 D482	D320-H436 PolarHBondContact O-CE1 2.91Å; D320-H436 PolarHBondContact O-ND1 2.84Å; K434-H436 WeakPolarHBondContact CB-NE2 3.41Å; H436-D482 IonicContact CD2-OD2 3.18Å; H436-D482 PolarHBondContact CD2-OD2 3.43Å; H436-D482 IonicContact CG-OD2 2.88Å; H436-D482 IonicContact NE2-OD2 3.96Å
437	S	81	Confident	86.8	Confident	54 Å²	54	38.8 Å²	38.8	38%	0.378	21%	0.211	S	C	.	.	S	Bend	trans	-141.4	169.1	-179.9	68.5	0	0	0	0	111.1	V435 T440	V435-S437 WeakPolarHBondContact CG1-O 3.39Å; S437-T440 PolarHBondContact O-OG1 3.33Å
438	F	86.9	Confident	86.9	Confident	64 Å²	64	47.1 Å²	47.1	28%	0.281	25%	0.247	S	C	.	.	S	Bend	trans	-130	133.2	179.4	-56.9	-60.6	0	0	0	111.2	A392 C395 T426 V435	A392-F438 HydrophobicContact CB-CB 4.3Å; A392-F438 HydrophobicContact CB-CD1 4.32Å; A392-F438 HydrophobicContact CB-CD2 3.57Å; A392-F438 HydrophobicContact CB-CE2 3.89Å; A392-F438 HydrophobicContact CB-CG 3.8Å; A392-F438 HydrophobicContact CB-CZ 4.4Å; C395-F438 HydrophobicContact CB-CB 4.19Å; C395-F438 PolarHBondContact SG-O 3.45Å; C395-F438 VanDerWaalsContact SG-O 3.34Å; T426-F438 HydrophobicContact CG2-CE2 4.46Å; T426-F438 HydrophobicContact CG2-CZ 4.33Å; V435-F438 HydrophobicContact CG1-CD1 3.82Å; V435-F438 HydrophobicContact CG1-CE1 3.43Å; V435-F438 VanDerWaalsContact CG1-CE1 3.43Å; V435-F438 HydrophobicContact CG1-CZ 4.37Å
439	P	93.3	Very high	86.5	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	27%	0.274	C	S	.	.	S	Bend	cis	-75.6	144.1	-7.9	30.5	-32.9	0	0	0	111.9	E389 F390 L401 R459	E389-P439 HydrophobicContact CG-CB 4.35Å; F390-P439 WeakPolarHBondContact O-CA 3.46Å; L401-P439 HydrophobicContact CD2-CB 3.98Å; L401-P439 HydrophobicContact CD2-CG 3.74Å; P439-R459 PolarHBondContact O-NH2 3.49Å
440	T	95	Very high	86.8	Confident	14 Å²	14	53 Å²	53	9%	0.086	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.5	164.1	-69.7	0	0	0	0	108.2	F390 S437 K442	F390-T440 WeakPolarHBondContact CB-O 3.19Å; F390-T440 WeakPolarHBondContact CD2-O 3.46Å; F390-T440 PolarHBondContact N-O 2.98Å; F390-T440 PolarHBondContact O-N 3.37Å; S437-T440 PolarHBondContact O-OG1 3.33Å; T440-K442 HydrophobicContact CG2-CD 4.44Å; T440-K442 HydrophobicContact CG2-CG 3.97Å
441	L	97	Very high	87	Confident	6 Å²	6	57.9 Å²	57.9	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122	-176.7	-58	-176.8	0	0	0	108.5	F387 E389 L401 W405 Y455 F464	F387-L441 HydrophobicContact CE2-CB 4.06Å; F387-L441 HydrophobicContact CZ-CB 4.18Å; E389-L441 HydrophobicContact CB-CD2 3.73Å; E389-L441 HydrophobicContact CG-CD2 3.82Å; L401-L441 HydrophobicContact CD2-CD1 4.21Å; L401-L441 HydrophobicContact CD2-CD2 3.98Å; W405-L441 HydrophobicContact CE3-CD2 4.49Å; W405-L441 HydrophobicContact CH2-CD2 3.96Å; W405-L441 HydrophobicContact CZ3-CD1 4.09Å; W405-L441 HydrophobicContact CZ3-CD2 3.92Å; L441-Y455 HydrophobicContact CB-CD1 4.24Å; L441-Y455 HydrophobicContact CB-CG 4.48Å; L441-Y455 HydrophobicContact CD1-CD1 3.78Å; L441-Y455 HydrophobicContact CD1-CE1 4.31Å; L441-Y455 PolarHBondContact O-N 2.97Å; L441-F464 HydrophobicContact CD1-CE1 3.44Å; L441-F464 VanDerWaalsContact CD1-CE1 3.44Å; L441-F464 HydrophobicContact CD1-CZ 3.77Å
442	K	96.5	Very high	87.8	Confident	7 Å²	7	52 Å²	52	3%	0.03	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	143.9	178.7	-54.2	-168.4	-175.2	-92.2	0	111.8	F387 V388 F390 V433 K434 T440 F444 V452 I453 D454	F387-K442 WeakPolarHBondContact CD2-O 3.32Å; V388-K442 PolarHBondContact N-O 3.21Å; V388-K442 PolarHBondContact O-N 2.88Å; V388-K442 VanDerWaalsContact O-N 3.1Å; F390-K442 HydrophobicContact CD2-CG 4.46Å; F390-K442 HydrophobicContact CE2-CB 4Å; F390-K442 HydrophobicContact CE2-CD 4.47Å; F390-K442 HydrophobicContact CE2-CG 4.15Å; V433-K442 HydrophobicContact CG1-CD 3.74Å; K434-K442 WeakPolarHBondContact O-CE 3.44Å; K434-K442 PolarHBondContact O-NZ 2.81Å; T440-K442 HydrophobicContact CG2-CD 4.44Å; T440-K442 HydrophobicContact CG2-CG 3.97Å; K442-F444 HydrophobicContact CB-CE2 3.92Å; K442-F444 HydrophobicContact CB-CZ 4.04Å; K442-V452 HydrophobicContact CB-CG1 4.03Å; K442-V452 HydrophobicContact CD-CG1 3.79Å; K442-V452 HydrophobicContact CG-CG1 4.45Å; K442-I453 WeakPolarHBondContact CA-O 3.38Å; K442-D454 VanDerWaalsContact CD-OD1 3.24Å; K442-D454 WeakPolarHBondContact CD-OD1 3.47Å; K442-D454 WeakPolarHBondContact CE-OD1 3.44Å; K442-D454 VanDerWaalsContact CG-OD1 3.3Å; K442-D454 WeakPolarHBondContact CG-OD1 3.46Å; K442-D454 IonicContact NZ-OD1 2.63Å; K442-D454 PolarHBondContact NZ-OD1 3.34Å; K442-D454 IonicContact NZ-OD2 2.71Å; K442-D454 PolarHBondContact NZ-OD2 2.64Å
443	F	96.9	Very high	88.7	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.7	-180	-177.8	-118.4	0	0	0	110.9	N385 V386 F387 P445 V452 I453 F467 L468	N385-F443 HydrophobicContact CB-CE2 3.76Å; N385-F443 HydrophobicContact CB-CZ 3.71Å; V386-F443 WeakPolarHBondContact O-CA 3.48Å; V386-F443 VanDerWaalsContact O-CD2 3.31Å; V386-F443 WeakPolarHBondContact O-CD2 3.43Å; F387-F443 HydrophobicContact CB-CD2 3.99Å; F387-F443 HydrophobicContact CD2-CB 3.89Å; F387-F443 HydrophobicContact CD2-CD2 4.27Å; F387-F443 HydrophobicContact CE2-CB 4.34Å; F387-F443 HydrophobicContact CG-CD2 4.36Å; F443-P445 HydrophobicContact CD1-CG 3.8Å; F443-P445 HydrophobicContact CE1-CB 3.96Å; F443-P445 HydrophobicContact CE1-CG 3.71Å; F443-V452 WeakPolarHBondContact O-CA 3.36Å; F443-I453 HydrophobicContact CB-CB 4.32Å; F443-I453 HydrophobicContact CD1-CB 4.49Å; F443-I453 HydrophobicContact CD1-CD1 4.19Å; F443-I453 PolarHBondContact N-O 3.32Å; F443-I453 PolarHBondContact O-N 3.05Å; F443-F467 HydrophobicContact CB-CE1 3.54Å; F443-F467 HydrophobicContact CB-CZ 3.55Å; F443-F467 HydrophobicContact CD1-CE1 4.24Å; F443-F467 HydrophobicContact CD1-CZ 4.11Å; F443-F467 HydrophobicContact CD2-CE1 4.29Å; F443-F467 AromaticContact CG-CE1 3.79Å; F443-F467 HydrophobicContact CG-CE1 3.79Å; F443-F467 AromaticContact CG-CZ 3.97Å; F443-F467 HydrophobicContact CG-CZ 3.97Å; F443-L468 HydrophobicContact CD2-CD2 4.02Å; F443-L468 HydrophobicContact CE2-CD2 3.69Å; F443-L468 HydrophobicContact CZ-CD2 4.5Å
444	F	96.2	Very high	89.1	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	94.7	-178	-56	-95.1	0	0	0	106.5	F375 A379 F380 V386 V388 F390 V433 K442 V452	F375-F444 HydrophobicContact CE1-CE1 4.35Å; F375-F444 HydrophobicContact CE1-CZ 4.39Å; F375-F444 AromaticContact CZ-CE1 4Å; F375-F444 HydrophobicContact CZ-CE1 4Å; F375-F444 HydrophobicContact CZ-CE2 4.1Å; F375-F444 AromaticContact CZ-CZ 3.61Å; F375-F444 HydrophobicContact CZ-CZ 3.61Å; A379-F444 HydrophobicContact CB-CD1 4.22Å; A379-F444 HydrophobicContact CB-CD2 4.21Å; A379-F444 HydrophobicContact CB-CG 4.08Å; A379-F444 WeakPolarHBondContact O-CB 3.49Å; F380-F444 HydrophobicContact CD1-CD1 4.17Å; F380-F444 AromaticContact CE1-CD1 3.67Å; F380-F444 HydrophobicContact CE1-CD1 3.67Å; F380-F444 HydrophobicContact CE1-CE1 4.08Å; F380-F444 AromaticContact CZ-CD1 3.93Å; F380-F444 HydrophobicContact CZ-CD1 3.93Å; F380-F444 AromaticContact CZ-CE1 3.88Å; F380-F444 HydrophobicContact CZ-CE1 3.88Å; V386-F444 HydrophobicContact CB-CB 4.29Å; V386-F444 PolarHBondContact N-O 3.47Å; V386-F444 PolarHBondContact O-N 3.49Å; V388-F444 HydrophobicContact CB-CE2 4.05Å; V388-F444 HydrophobicContact CG2-CD2 3.83Å; V388-F444 HydrophobicContact CG2-CE2 3.64Å; F390-F444 HydrophobicContact CE2-CE2 4.3Å; F390-F444 HydrophobicContact CE2-CZ 4.39Å; F390-F444 HydrophobicContact CZ-CE2 4.28Å; F390-F444 HydrophobicContact CZ-CZ 4.11Å; V433-F444 HydrophobicContact CG2-CE1 3.89Å; V433-F444 HydrophobicContact CG2-CZ 3.82Å; K442-F444 HydrophobicContact CB-CE2 3.92Å; K442-F444 HydrophobicContact CB-CZ 4.04Å; F444-V452 HydrophobicContact CD1-CG1 4.4Å; F444-V452 HydrophobicContact CD1-CG2 3.88Å; F444-V452 HydrophobicContact CE1-CB 4.37Å; F444-V452 HydrophobicContact CE1-CG1 3.87Å; F444-V452 HydrophobicContact CE1-CG2 3.66Å; F444-V452 HydrophobicContact CZ-CG1 4.11Å
445	P	95.3	Very high	90	Very high	28 Å²	28	44.2 Å²	44.2	18%	0.182	25%	0.246	C	C	.	.			trans	-65.9	149.2	-178	-17.3	30	0	0	0	111.7	F443 G447 E451 I453	F443-P445 HydrophobicContact CD1-CG 3.8Å; F443-P445 HydrophobicContact CE1-CB 3.96Å; F443-P445 HydrophobicContact CE1-CG 3.71Å; P445-G447 PolarHBondContact O-N 2.98Å; P445-E451 VanDerWaalsContact CD-O 3.24Å; P445-E451 WeakPolarHBondContact CD-O 3.24Å; P445-E451 HydrophobicContact CG-CB 4.41Å; P445-I453 HydrophobicContact CG-CD1 3.71Å; P445-I453 HydrophobicContact CG-CG1 4.16Å
446	A	94.8	Very high	90.4	Very high	43 Å²	43	47 Å²	47	36%	0.355	26%	0.26	S	S	.	.	S	Bend	trans	-61.1	124.3	172.1	0	0	0	0	0	110.6	K384 N385	K384-A446 WeakPolarHBondContact O-CA 3.46Å; K384-A446 PolarHBondContact O-N 2.94Å; N385-A446 PolarHBondContact OD1-N 3.32Å
447	G	91.4	Very high	91.2	Very high	35 Å²	35	43.7 Å²	43.7	36%	0.361	25%	0.252	S	S	.	.	S	Bend	trans	159.4	174.8	175.4	0	0	0	0	0	112.8	P382 P445 G449	P382-G447 PolarHBondContact O-N 3.36Å; P445-G447 PolarHBondContact O-N 2.98Å; G447-G449 VanDerWaalsContact C-N 3.32Å
448	E	84.4	Confident	91.7	Very high	190 Å²	190	47.9 Å²	47.9	89%	0.888	27%	0.265	S	S	*	.	S	Bend	trans	-82.9	-9.6	178.4	-62.6	-169.5	166.5	0	0	113.2	R450	E448-R450 VanDerWaalsContact C-N 3.28Å; E448-R450 PolarHBondContact O-N 3.4Å
449	G	76.9	Confident	92.1	Very high	55 Å²	55	50.1 Å²	50.1	57%	0.567	27%	0.272	S	S	*	.	S	Bend	trans	-75.1	-5.4	-169.9	0	0	0	0	0	116.1	G447 E451	G447-G449 VanDerWaalsContact C-N 3.32Å; G449-E451 PolarHBondContact O-N 3.36Å; G449-E451 VanDerWaalsContact O-N 3.08Å
450	R	87.1	Confident	92.2	Very high	101 Å²	101	52.6 Å²	52.6	38%	0.381	29%	0.287	S	S	.	.			trans	44.9	35.9	-170.8	-62.2	179.5	69.5	81.7	-11	112.5	E376 F380 E432 E448	E376-R450 VanDerWaalsContact CD-NH2 3.28Å; E376-R450 IonicContact OE1-CZ 3.81Å; E376-R450 IonicContact OE1-NH1 2.93Å; E376-R450 PolarHBondContact OE1-NH1 3.44Å; E376-R450 IonicContact OE1-NH2 2.78Å; E376-R450 PolarHBondContact OE1-NH2 2.84Å; E376-R450 IonicContact OE2-CZ 2.66Å; E376-R450 IonicContact OE2-NH1 2.71Å; E376-R450 IonicContact OE2-NH2 2.8Å; E376-R450 PolarHBondContact OE2-NH2 2.88Å; F380-R450 HydrophobicContact CD1-CB 3.92Å; F380-R450 HydrophobicContact CD1-CG 4.05Å; F380-R450 HydrophobicContact CE1-CB 3.9Å; F380-R450 HydrophobicContact CE1-CG 4.43Å; E432-R450 IonicContact OE1-CZ 2.62Å; E432-R450 IonicContact OE1-NH2 2.68Å; E432-R450 PolarHBondContact OE1-NH2 3.5Å; E448-R450 VanDerWaalsContact C-N 3.28Å; E448-R450 PolarHBondContact O-N 3.4Å
451	E	89.2	Confident	92.3	Very high	125 Å²	125	54.4 Å²	54.4	58%	0.584	30%	0.296	S	S	*	.			trans	-67	142.1	-178.6	-66.6	-179.5	-177.5	0	0	109.7	P445 G449	P445-E451 VanDerWaalsContact CD-O 3.24Å; P445-E451 WeakPolarHBondContact CD-O 3.24Å; P445-E451 HydrophobicContact CG-CB 4.41Å; G449-E451 PolarHBondContact O-N 3.36Å; G449-E451 VanDerWaalsContact O-N 3.08Å
452	V	92.7	Very high	92.2	Very high	29 Å²	29	61.9 Å²	61.9	18%	0.176	33%	0.331	C	S	.	.			trans	-127.8	128.6	175.5	-173.1	0	0	0	0	107.3	F380 K442 F443 F444 A479	F380-V452 HydrophobicContact CE1-CG2 4.08Å; F380-V452 HydrophobicContact CZ-CG2 4.3Å; K442-V452 HydrophobicContact CB-CG1 4.03Å; K442-V452 HydrophobicContact CD-CG1 3.79Å; K442-V452 HydrophobicContact CG-CG1 4.45Å; F443-V452 WeakPolarHBondContact O-CA 3.36Å; F444-V452 HydrophobicContact CD1-CG1 4.4Å; F444-V452 HydrophobicContact CD1-CG2 3.88Å; F444-V452 HydrophobicContact CE1-CB 4.37Å; F444-V452 HydrophobicContact CE1-CG1 3.87Å; F444-V452 HydrophobicContact CE1-CG2 3.66Å; F444-V452 HydrophobicContact CZ-CG1 4.11Å; V452-A479 HydrophobicContact CB-CB 4.16Å; V452-A479 HydrophobicContact CG1-CB 4.35Å
453	I	92.9	Very high	92.1	Very high	31 Å²	31	62.1 Å²	62.1	16%	0.159	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.8	-179.3	-55.5	-179.1	0	0	0	107.9	K442 F443 P445 F467	K442-I453 WeakPolarHBondContact CA-O 3.38Å; F443-I453 HydrophobicContact CB-CB 4.32Å; F443-I453 HydrophobicContact CD1-CB 4.49Å; F443-I453 HydrophobicContact CD1-CD1 4.19Å; F443-I453 PolarHBondContact N-O 3.32Å; F443-I453 PolarHBondContact O-N 3.05Å; P445-I453 HydrophobicContact CG-CD1 3.71Å; P445-I453 HydrophobicContact CG-CG1 4.16Å; I453-F467 HydrophobicContact CG2-CE2 4.14Å; I453-F467 HydrophobicContact CG2-CZ 4.14Å
454	D	92.1	Very high	92.2	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.021	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	139.4	175.9	-71.3	-11.8	0	0	0	109.6	K442 G476 A477 A479 G480	K442-D454 VanDerWaalsContact CD-OD1 3.24Å; K442-D454 WeakPolarHBondContact CD-OD1 3.47Å; K442-D454 WeakPolarHBondContact CE-OD1 3.44Å; K442-D454 VanDerWaalsContact CG-OD1 3.3Å; K442-D454 WeakPolarHBondContact CG-OD1 3.46Å; K442-D454 IonicContact NZ-OD1 2.63Å; K442-D454 PolarHBondContact NZ-OD1 3.34Å; K442-D454 IonicContact NZ-OD2 2.71Å; K442-D454 PolarHBondContact NZ-OD2 2.64Å; D454-G476 CarbonylContact O-C 3.54Å; D454-G476 VanDerWaalsContact O-CA 3.32Å; D454-G476 WeakPolarHBondContact O-CA 3.48Å; D454-A477 PolarHBondContact N-O 2.86Å; D454-A477 PolarHBondContact O-N 3.11Å; D454-A479 VanDerWaalsContact OD2-CA 3.32Å; D454-A479 WeakPolarHBondContact OD2-CA 3.25Å; D454-G480 PolarHBondContact OD2-N 3.43Å
455	Y	93.6	Very high	92.2	Very high	14 Å²	14	62.7 Å²	62.7	6%	0.055	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	109.5	176.1	178.9	-93.6	0	0	0	110.3	F387 L441 G457 E458 G463 F464 F467	F387-Y455 HydrophobicContact CE2-CG 4.3Å; F387-Y455 HydrophobicContact CZ-CD1 4.28Å; F387-Y455 HydrophobicContact CZ-CD2 4.14Å; F387-Y455 AromaticContact CZ-CG 3.82Å; F387-Y455 HydrophobicContact CZ-CG 3.82Å; L441-Y455 HydrophobicContact CB-CD1 4.24Å; L441-Y455 HydrophobicContact CB-CG 4.48Å; L441-Y455 HydrophobicContact CD1-CD1 3.78Å; L441-Y455 HydrophobicContact CD1-CE1 4.31Å; L441-Y455 PolarHBondContact O-N 2.97Å; Y455-G457 VanDerWaalsContact CE1-C 3.44Å; Y455-G457 WeakPolarHBondContact CE1-O 3.16Å; Y455-E458 PolarHBondContact OH-N 2.99Å; Y455-E458 PolarHBondContact OH-O 3.07Å; Y455-G463 VanDerWaalsContact OH-C 3.28Å; Y455-F464 HydrophobicContact CD1-CD1 4.26Å; Y455-F464 AromaticContact CD1-CE1 3.91Å; Y455-F464 HydrophobicContact CD1-CE1 3.91Å; Y455-F464 AromaticContact CE1-CD1 3.63Å; Y455-F464 HydrophobicContact CE1-CD1 3.63Å; Y455-F464 AromaticContact CE1-CE1 3.34Å; Y455-F464 HydrophobicContact CE1-CE1 3.34Å; Y455-F464 HydrophobicContact CE2-CD1 4.33Å; Y455-F464 AromaticContact CZ-CD1 3.65Å; Y455-F464 AromaticContact CZ-CE1 3.85Å; Y455-F467 HydrophobicContact CD2-CB 3.98Å; Y455-F467 AromaticContact CD2-CD1 3.67Å; Y455-F467 HydrophobicContact CD2-CD1 3.67Å; Y455-F467 AromaticContact CD2-CD2 3.63Å; Y455-F467 HydrophobicContact CD2-CD2 3.63Å; Y455-F467 AromaticContact CD2-CE1 3.95Å; Y455-F467 HydrophobicContact CD2-CE1 3.95Å; Y455-F467 AromaticContact CD2-CE2 3.9Å; Y455-F467 HydrophobicContact CD2-CE2 3.9Å; Y455-F467 AromaticContact CD2-CG 3.48Å; Y455-F467 HydrophobicContact CD2-CG 3.48Å; Y455-F467 VanDerWaalsContact CD2-CG 3.48Å; Y455-F467 HydrophobicContact CD2-CZ 4.06Å; Y455-F467 HydrophobicContact CE2-CB 3.61Å; Y455-F467 HydrophobicContact CE2-CD1 4.13Å; Y455-F467 HydrophobicContact CE2-CD2 4.03Å; Y455-F467 AromaticContact CE2-CG 3.67Å; Y455-F467 HydrophobicContact CE2-CG 3.67Å
456	N	90.9	Very high	92.2	Very high	89 Å²	89	67.1 Å²	67.1	48%	0.476	36%	0.355	S	S	.	.			trans	-110.4	8.2	179.5	-66.4	-10.3	0	0	0	112	G475 A477 D481	N456-G475 PolarHBondContact N-O 3.23Å; N456-A477 WeakPolarHBondContact ND2-CB 3.35Å; N456-D481 PolarHBondContact ND2-O 2.62Å
457	G	90.6	Very high	92.2	Very high	25 Å²	25	65 Å²	65	26%	0.258	34%	0.338	S	S	.	.	S	Bend	trans	-77.5	-177.9	176.6	0	0	0	0	0	114.2	Y455 G475	Y455-G457 VanDerWaalsContact CE1-C 3.44Å; Y455-G457 WeakPolarHBondContact CE1-O 3.16Å; G457-G475 PolarHBondContact N-O 2.98Å
458	E	91.3	Very high	92.4	Very high	142 Å²	142	63.8 Å²	63.8	66%	0.664	32%	0.323	S	S	*	.			trans	-61.6	137	179.5	-66.5	178.9	-167.6	0	0	112.7	Y455 T460	Y455-E458 PolarHBondContact OH-N 2.99Å; Y455-E458 PolarHBondContact OH-O 3.07Å; E458-T460 HydrophobicContact CB-CG2 4.32Å; E458-T460 PolarHBondContact O-N 3.21Å
459	R	95.7	Very high	92.9	Very high	112 Å²	112	61.4 Å²	61.4	42%	0.423	31%	0.312	S	S	.	.	S	Bend	trans	-82.5	50.4	-178.8	-64.6	179	-176.4	170.6	-1.9	112.6	L401 I404 P439 F464	L401-R459 HydrophobicContact CD1-CB 4.29Å; I404-R459 WeakPolarHBondContact CD1-O 3.38Å; P439-R459 PolarHBondContact O-NH2 3.49Å; R459-F464 HydrophobicContact CB-CZ 4.06Å; R459-F464 HydrophobicContact CG-CZ 4.44Å
460	T	96.1	Very high	93.6	Very high	52 Å²	52	60 Å²	60	32%	0.319	29%	0.294	S	S	.	.	S	Bend	trans	-118.2	156.6	-178.5	66.4	0	0	0	0	110.8	E458 E462 G463 F464	E458-T460 HydrophobicContact CB-CG2 4.32Å; E458-T460 PolarHBondContact O-N 3.21Å; T460-E462 PolarHBondContact O-N 2.66Å; T460-G463 PolarHBondContact O-N 2.98Å; T460-G463 PolarHBondContact OG1-N 3.21Å; T460-G463 VanDerWaalsContact OG1-N 3.13Å; T460-F464 WeakPolarHBondContact O-CD2 3.4Å; T460-F464 VanDerWaalsContact O-CG 3.26Å; T460-F464 WeakPolarHBondContact O-CG 3.45Å; T460-F464 PolarHBondContact O-N 3.42Å
461	L	96.3	Very high	93.8	Very high	53 Å²	53	57.2 Å²	57.2	28%	0.277	30%	0.296	S	S	.	.	H	α-helix	trans	-58.4	-35.1	177.4	-178.2	63.6	0	0	0	112.1	I404 Q407 L408 T465	I404-L461 HydrophobicContact CG2-CB 4.18Å; Q407-L461 HydrophobicContact CB-CD1 4.22Å; Q407-L461 HydrophobicContact CB-CD2 4.26Å; L408-L461 HydrophobicContact CB-CD1 3.98Å; L408-L461 HydrophobicContact CD1-CD1 3.9Å; L461-T465 WeakPolarHBondContact O-CB 3.41Å; L461-T465 PolarHBondContact O-N 3.17Å; L461-T465 PolarHBondContact O-OG1 3.23Å
462	E	95.4	Very high	93.7	Very high	162 Å²	162	51.5 Å²	51.5	76%	0.757	27%	0.271	S	S	*	.	H	α-helix	trans	-68.2	-48.7	177.1	-175.1	171.2	179.1	0	0	111.5	T460 F464 T465 K466	T460-E462 PolarHBondContact O-N 2.66Å; E462-F464 PolarHBondContact O-N 3.13Å; E462-T465 WeakPolarHBondContact O-CB 3.21Å; E462-T465 PolarHBondContact O-N 2.89Å; E462-K466 WeakPolarHBondContact O-CB 3.38Å; E462-K466 PolarHBondContact O-N 2.84Å
463	G	94.8	Very high	93.4	Very high	13 Å²	13	58 Å²	58	13%	0.134	30%	0.296	C	S	.	.	H	α-helix	trans	-55.8	-49.5	176.1	0	0	0	0	0	112.1	Y455 T460 T465 K466 F467	Y455-G463 VanDerWaalsContact OH-C 3.28Å; T460-G463 PolarHBondContact O-N 2.98Å; T460-G463 PolarHBondContact OG1-N 3.21Å; T460-G463 VanDerWaalsContact OG1-N 3.13Å; G463-T465 PolarHBondContact O-N 2.8Å; G463-K466 PolarHBondContact O-N 2.73Å; G463-F467 WeakPolarHBondContact O-CB 3.25Å; G463-F467 PolarHBondContact O-N 2.95Å
464	F	97.7	Very high	92.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-41.9	177	-59.7	-37.9	0	0	0	113.1	F387 L401 I404 W405 L408 L441 Y455 R459 T460 E462 F467 L468	F387-F464 HydrophobicContact CE1-CB 4.27Å; F387-F464 AromaticContact CE1-CD1 3.78Å; F387-F464 HydrophobicContact CE1-CD1 3.78Å; F387-F464 HydrophobicContact CE1-CE1 4.46Å; F387-F464 HydrophobicContact CE1-CG 4.2Å; F387-F464 HydrophobicContact CZ-CD1 4.1Å; F387-F464 HydrophobicContact CZ-CE1 4.49Å; L401-F464 HydrophobicContact CD1-CE2 3.74Å; L401-F464 HydrophobicContact CD1-CZ 3.64Å; I404-F464 HydrophobicContact CG2-CD2 4.08Å; I404-F464 HydrophobicContact CG2-CE2 3.74Å; W405-F464 HydrophobicContact CE3-CD2 4.37Å; W405-F464 HydrophobicContact CE3-CE2 4.03Å; W405-F464 HydrophobicContact CE3-CZ 4.22Å; W405-F464 HydrophobicContact CZ3-CD1 4.35Å; W405-F464 HydrophobicContact CZ3-CD2 4.4Å; W405-F464 HydrophobicContact CZ3-CE1 4.16Å; W405-F464 HydrophobicContact CZ3-CE2 4.23Å; W405-F464 HydrophobicContact CZ3-CG 4.48Å; W405-F464 HydrophobicContact CZ3-CZ 4.1Å; L408-F464 HydrophobicContact CD1-CB 3.73Å; L408-F464 HydrophobicContact CD2-CB 3.73Å; L408-F464 HydrophobicContact CD2-CD2 4.05Å; L408-F464 HydrophobicContact CD2-CG 4.03Å; L408-F464 HydrophobicContact CG-CB 4.35Å; L441-F464 HydrophobicContact CD1-CE1 3.44Å; L441-F464 VanDerWaalsContact CD1-CE1 3.44Å; L441-F464 HydrophobicContact CD1-CZ 3.77Å; Y455-F464 HydrophobicContact CD1-CD1 4.26Å; Y455-F464 AromaticContact CD1-CE1 3.91Å; Y455-F464 HydrophobicContact CD1-CE1 3.91Å; Y455-F464 AromaticContact CE1-CD1 3.63Å; Y455-F464 HydrophobicContact CE1-CD1 3.63Å; Y455-F464 AromaticContact CE1-CE1 3.34Å; Y455-F464 HydrophobicContact CE1-CE1 3.34Å; Y455-F464 HydrophobicContact CE2-CD1 4.33Å; Y455-F464 AromaticContact CZ-CD1 3.65Å; Y455-F464 AromaticContact CZ-CE1 3.85Å; R459-F464 HydrophobicContact CB-CZ 4.06Å; R459-F464 HydrophobicContact CG-CZ 4.44Å; T460-F464 WeakPolarHBondContact O-CD2 3.4Å; T460-F464 VanDerWaalsContact O-CG 3.26Å; T460-F464 WeakPolarHBondContact O-CG 3.45Å; T460-F464 PolarHBondContact O-N 3.42Å; E462-F464 PolarHBondContact O-N 3.13Å; F464-F467 PolarHBondContact O-N 2.87Å; F464-L468 WeakPolarHBondContact O-CB 3.3Å; F464-L468 WeakPolarHBondContact O-CG 3.36Å; F464-L468 PolarHBondContact O-N 2.69Å
465	T	96	Very high	92.3	Very high	13 Å²	13	61.6 Å²	61.6	8%	0.08	32%	0.324	C	S	.	.	H	α-helix	trans	-60.2	-50.3	177.1	-63.9	0	0	0	0	110.4	K411 L461 E462 G463 F467 L468 E469	K411-T465 PolarHBondContact NZ-OG1 2.73Å; L461-T465 WeakPolarHBondContact O-CB 3.41Å; L461-T465 PolarHBondContact O-N 3.17Å; L461-T465 PolarHBondContact O-OG1 3.23Å; E462-T465 WeakPolarHBondContact O-CB 3.21Å; E462-T465 PolarHBondContact O-N 2.89Å; G463-T465 PolarHBondContact O-N 2.8Å; T465-F467 VanDerWaalsContact C-N 3.31Å; T465-F467 PolarHBondContact O-N 3.25Å; T465-L468 PolarHBondContact O-N 2.68Å; T465-E469 HydrophobicContact CG2-CG 4.23Å; T465-E469 VanDerWaalsContact CG2-OE1 3.27Å; T465-E469 WeakPolarHBondContact CG2-OE1 3.43Å; T465-E469 WeakPolarHBondContact O-CB 3.46Å; T465-E469 WeakPolarHBondContact O-CG 3.47Å; T465-E469 PolarHBondContact O-N 3.48Å
466	K	95.3	Very high	91.3	Very high	121 Å²	121	62.3 Å²	62.3	53%	0.526	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-44.3	-178.3	-174.6	-176.7	177.6	-171.6	0	111.1	E462 G463 E469 S470 D474	E462-K466 WeakPolarHBondContact O-CB 3.38Å; E462-K466 PolarHBondContact O-N 2.84Å; G463-K466 PolarHBondContact O-N 2.73Å; K466-E469 PolarHBondContact O-N 3.4Å; K466-S470 VanDerWaalsContact O-CB 3.29Å; K466-S470 WeakPolarHBondContact O-CB 3.47Å; K466-S470 PolarHBondContact O-N 2.79Å; K466-S470 PolarHBondContact O-OG 2.86Å; K466-D474 HydrophobicContact CD-CB 4.23Å; K466-D474 VanDerWaalsContact CE-OD2 3.27Å; K466-D474 WeakPolarHBondContact CE-OD2 3.16Å; K466-D474 HydrophobicContact CG-CB 4.02Å
467	F	96.4	Very high	90.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-50.3	176.4	173.9	-106.6	0	0	0	112.4	F387 F443 I453 Y455 G463 F464 T465 E469 S470 G471 G472 D474	F387-F467 HydrophobicContact CD2-CE1 4.05Å; F387-F467 HydrophobicContact CE1-CD1 4.2Å; F387-F467 HydrophobicContact CE1-CE1 4.42Å; F387-F467 HydrophobicContact CE2-CD1 4.24Å; F387-F467 AromaticContact CE2-CE1 3.68Å; F387-F467 HydrophobicContact CE2-CE1 3.68Å; F387-F467 AromaticContact CZ-CD1 3.97Å; F387-F467 HydrophobicContact CZ-CD1 3.97Å; F387-F467 AromaticContact CZ-CE1 3.88Å; F387-F467 HydrophobicContact CZ-CE1 3.88Å; F443-F467 HydrophobicContact CB-CE1 3.54Å; F443-F467 HydrophobicContact CB-CZ 3.55Å; F443-F467 HydrophobicContact CD1-CE1 4.24Å; F443-F467 HydrophobicContact CD1-CZ 4.11Å; F443-F467 HydrophobicContact CD2-CE1 4.29Å; F443-F467 AromaticContact CG-CE1 3.79Å; F443-F467 HydrophobicContact CG-CE1 3.79Å; F443-F467 AromaticContact CG-CZ 3.97Å; F443-F467 HydrophobicContact CG-CZ 3.97Å; I453-F467 HydrophobicContact CG2-CE2 4.14Å; I453-F467 HydrophobicContact CG2-CZ 4.14Å; Y455-F467 HydrophobicContact CD2-CB 3.98Å; Y455-F467 AromaticContact CD2-CD1 3.67Å; Y455-F467 HydrophobicContact CD2-CD1 3.67Å; Y455-F467 AromaticContact CD2-CD2 3.63Å; Y455-F467 HydrophobicContact CD2-CD2 3.63Å; Y455-F467 AromaticContact CD2-CE1 3.95Å; Y455-F467 HydrophobicContact CD2-CE1 3.95Å; Y455-F467 AromaticContact CD2-CE2 3.9Å; Y455-F467 HydrophobicContact CD2-CE2 3.9Å; Y455-F467 AromaticContact CD2-CG 3.48Å; Y455-F467 HydrophobicContact CD2-CG 3.48Å; Y455-F467 VanDerWaalsContact CD2-CG 3.48Å; Y455-F467 HydrophobicContact CD2-CZ 4.06Å; Y455-F467 HydrophobicContact CE2-CB 3.61Å; Y455-F467 HydrophobicContact CE2-CD1 4.13Å; Y455-F467 HydrophobicContact CE2-CD2 4.03Å; Y455-F467 AromaticContact CE2-CG 3.67Å; Y455-F467 HydrophobicContact CE2-CG 3.67Å; G463-F467 WeakPolarHBondContact O-CB 3.25Å; G463-F467 PolarHBondContact O-N 2.95Å; F464-F467 PolarHBondContact O-N 2.87Å; T465-F467 VanDerWaalsContact C-N 3.31Å; T465-F467 PolarHBondContact O-N 3.25Å; F467-E469 PolarHBondContact O-N 3.41Å; F467-S470 PolarHBondContact O-N 3.09Å; F467-S470 PolarHBondContact O-OG 2.85Å; F467-G471 PolarHBondContact O-N 3.46Å; F467-G472 VanDerWaalsContact CE2-C 3.48Å; F467-G472 WeakPolarHBondContact CE2-O 3.21Å; F467-G472 PolarHBondContact O-N 3.19Å; F467-D474 WeakPolarHBondContact CA-O 3.25Å; F467-D474 VanDerWaalsContact CB-O 3.31Å; F467-D474 WeakPolarHBondContact CB-O 3.18Å; F467-D474 VanDerWaalsContact CD2-O 3.29Å; F467-D474 WeakPolarHBondContact CD2-O 3.39Å
468	L	95.8	Very high	89.4	Confident	9 Å²	9	62.1 Å²	62.1	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-61.9	-44.7	178.1	-73.5	172	0	0	0	112.4	F387 L408 Y412 I418 F443 F464 T465 S470 G471	F387-L468 HydrophobicContact CB-CD2 3.91Å; F387-L468 HydrophobicContact CD1-CD1 4.24Å; F387-L468 HydrophobicContact CD1-CD2 4.06Å; F387-L468 HydrophobicContact CD1-CG 4.22Å; F387-L468 HydrophobicContact CG-CD2 4.16Å; L408-L468 HydrophobicContact CD1-CD1 4.02Å; L408-L468 HydrophobicContact CD2-CD1 4.32Å; L408-L468 HydrophobicContact CG-CD1 4.42Å; Y412-L468 HydrophobicContact CD2-CD1 3.92Å; Y412-L468 HydrophobicContact CE2-CD1 3.5Å; I418-L468 HydrophobicContact CD1-CB 4.43Å; I418-L468 HydrophobicContact CG2-CD1 4.26Å; I418-L468 HydrophobicContact CG2-CD2 4.29Å; F443-L468 HydrophobicContact CD2-CD2 4.02Å; F443-L468 HydrophobicContact CE2-CD2 3.69Å; F443-L468 HydrophobicContact CZ-CD2 4.5Å; F464-L468 WeakPolarHBondContact O-CB 3.3Å; F464-L468 WeakPolarHBondContact O-CG 3.36Å; F464-L468 PolarHBondContact O-N 2.69Å; T465-L468 PolarHBondContact O-N 2.68Å; L468-S470 VanDerWaalsContact C-N 3.28Å; L468-S470 PolarHBondContact O-N 3.03Å; L468-G471 PolarHBondContact O-N 2.93Å; L468-G471 VanDerWaalsContact O-N 3.08Å
469	E	93.3	Very high	88	Confident	139 Å²	139	58.1 Å²	58.1	65%	0.65	33%	0.328	S	S	*	.	H	α-helix	trans	-67.8	-28	179.7	-71.3	179.7	-178.2	0	0	112.7	T465 K466 F467 G471	T465-E469 HydrophobicContact CG2-CG 4.23Å; T465-E469 VanDerWaalsContact CG2-OE1 3.27Å; T465-E469 WeakPolarHBondContact CG2-OE1 3.43Å; T465-E469 WeakPolarHBondContact O-CB 3.46Å; T465-E469 WeakPolarHBondContact O-CG 3.47Å; T465-E469 PolarHBondContact O-N 3.48Å; K466-E469 PolarHBondContact O-N 3.4Å; F467-E469 PolarHBondContact O-N 3.41Å; E469-G471 PolarHBondContact O-N 2.88Å
470	S	92.9	Very high	86	Confident	27 Å²	27	55.6 Å²	55.6	19%	0.189	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-7.1	173.7	78.2	0	0	0	0	113.8	K466 F467 L468 K473 D474	K466-S470 VanDerWaalsContact O-CB 3.29Å; K466-S470 WeakPolarHBondContact O-CB 3.47Å; K466-S470 PolarHBondContact O-N 2.79Å; K466-S470 PolarHBondContact O-OG 2.86Å; F467-S470 PolarHBondContact O-N 3.09Å; F467-S470 PolarHBondContact O-OG 2.85Å; L468-S470 VanDerWaalsContact C-N 3.28Å; L468-S470 PolarHBondContact O-N 3.03Å; S470-K473 PolarHBondContact OG-N 2.8Å; S470-D474 PolarHBondContact OG-N 3.2Å
471	G	90.4	Very high	83.8	Confident	41 Å²	41	57 Å²	57	42%	0.423	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	33.5	-172.7	0	0	0	0	0	112.9	F467 L468 E469	F467-G471 PolarHBondContact O-N 3.46Å; L468-G471 PolarHBondContact O-N 2.93Å; L468-G471 VanDerWaalsContact O-N 3.08Å; E469-G471 PolarHBondContact O-N 2.88Å
472	G	87.6	Confident	81.3	Confident	5 Å²	5	57.5 Å²	57.5	5%	0.052	35%	0.345	C	S	.	.	S	Bend	trans	88.8	16.6	176.7	0	0	0	0	0	115.7	F467	F467-G472 VanDerWaalsContact CE2-C 3.48Å; F467-G472 WeakPolarHBondContact CE2-O 3.21Å; F467-G472 PolarHBondContact O-N 3.19Å
473	K	86.8	Confident	78.6	Confident	165 Å²	165	56.6 Å²	56.6	72%	0.717	35%	0.345	S	S	*	.			trans	-92.8	-46.5	-177.2	-65.1	175.8	-176.4	169.1	0	113	S470 G475 G476	S470-K473 PolarHBondContact OG-N 2.8Å; K473-G475 PolarHBondContact O-N 3.06Å; K473-G476 PolarHBondContact O-N 3.15Å
474	D	82.5	Confident	75.9	Confident	78 Å²	78	61.3 Å²	61.3	42%	0.417	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	102.4	-175.6	-74.5	-25.7	0	0	0	110.4	K466 F467 S470	K466-D474 HydrophobicContact CD-CB 4.23Å; K466-D474 VanDerWaalsContact CE-OD2 3.27Å; K466-D474 WeakPolarHBondContact CE-OD2 3.16Å; K466-D474 HydrophobicContact CG-CB 4.02Å; F467-D474 WeakPolarHBondContact CA-O 3.25Å; F467-D474 VanDerWaalsContact CB-O 3.31Å; F467-D474 WeakPolarHBondContact CB-O 3.18Å; F467-D474 VanDerWaalsContact CD2-O 3.29Å; F467-D474 WeakPolarHBondContact CD2-O 3.39Å; S470-D474 PolarHBondContact OG-N 3.2Å
475	G	78.5	Confident	72.9	Confident	33 Å²	33	67.6 Å²	67.6	34%	0.34	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	6.4	-174.4	0	0	0	0	0	114.3	N456 G457 K473	N456-G475 PolarHBondContact N-O 3.23Å; G457-G475 PolarHBondContact N-O 2.98Å; K473-G475 PolarHBondContact O-N 3.06Å
476	G	72.7	Confident	69.8	Low	29 Å²	29	72.6 Å²	72.6	30%	0.299	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	142	176.5	0	0	0	0	0	113.2	D454 K473	D454-G476 CarbonylContact O-C 3.54Å; D454-G476 VanDerWaalsContact O-CA 3.32Å; D454-G476 WeakPolarHBondContact O-CA 3.48Å; K473-G476 PolarHBondContact O-N 3.15Å
477	A	75.5	Confident	66.9	Low	16 Å²	16	73 Å²	73	13%	0.132	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	154.9	168.9	0	0	0	0	0	110.3	D454 N456 D481	D454-A477 PolarHBondContact N-O 2.86Å; D454-A477 PolarHBondContact O-N 3.11Å; N456-A477 WeakPolarHBondContact ND2-CB 3.35Å; A477-D481 HydrophobicContact CB-CB 4.44Å
478	P	67.3	Low	63.8	Low	94 Å²	94	80.2 Å²	80.2	61%	0.61	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	144.7	169.4	-19.3	32.1	0	0	0	110.9	G480 D481	P478-G480 PolarHBondContact O-N 3.17Å; P478-D481 WeakPolarHBondContact O-CB 3.17Å; P478-D481 PolarHBondContact O-N 2.71Å
479	A	61.3	Low	60.9	Low	59 Å²	59	87.6 Å²	87.6	49%	0.488	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	127.1	179.6	0	0	0	0	0	112.5	V452 D454	V452-A479 HydrophobicContact CB-CB 4.16Å; V452-A479 HydrophobicContact CG1-CB 4.35Å; D454-A479 VanDerWaalsContact OD2-CA 3.32Å; D454-A479 WeakPolarHBondContact OD2-CA 3.25Å
480	G	54.3	Low	58	Low	58 Å²	58	88.3 Å²	88.3	60%	0.598	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	12.1	178.3	0	0	0	0	0	115.5	D454 P478 D482	D454-G480 PolarHBondContact OD2-N 3.43Å; P478-G480 PolarHBondContact O-N 3.17Å; G480-D482 VanDerWaalsContact C-N 3.34Å; G480-D482 PolarHBondContact O-N 3.28Å
481	D	50	Low	55.3	Low	81 Å²	81	94.2 Å²	94.2	43%	0.433	55%	0.548	S	S	.	.			trans	-92.1	68.9	170.4	-147.2	10.5	0	0	0	108.5	N456 A477 P478 D483	N456-D481 PolarHBondContact ND2-O 2.62Å; A477-D481 HydrophobicContact CB-CB 4.44Å; P478-D481 WeakPolarHBondContact O-CB 3.17Å; P478-D481 PolarHBondContact O-N 2.71Å; D481-D483 PolarHBondContact O-N 3.12Å
482	D	43.3	Very low	52.5	Low	65 Å²	65	99 Å²	99	35%	0.348	57%	0.569	S	S	.	*			trans	-84.9	18.1	-179.5	-75.3	-39.3	0	0	0	112.7	H436 G480 I484	H436-D482 IonicContact CD2-OD2 3.18Å; H436-D482 PolarHBondContact CD2-OD2 3.43Å; H436-D482 IonicContact CG-OD2 2.88Å; H436-D482 IonicContact NE2-OD2 3.96Å; G480-D482 VanDerWaalsContact C-N 3.34Å; G480-D482 PolarHBondContact O-N 3.28Å; D482-I484 PolarHBondContact O-N 3.21Å
483	D	37.7	Very low	49.8	Very low	143 Å²	143	105.3 Å²	105.3	77%	0.765	60%	0.602	S	S	*	*			trans	-70.6	77.4	172.4	-77	-16.9	0	0	0	109.3	D481 D485	D481-D483 PolarHBondContact O-N 3.12Å; D483-D485 PolarHBondContact O-N 3.04Å; D483-D485 VanDerWaalsContact O-N 3.12Å
484	I	39.8	Very low	47.3	Very low	112 Å²	112	105.2 Å²	105.2	57%	0.574	61%	0.609	S	S	*	*			trans	-72.6	96.5	162.9	-59.5	174.6	0	0	0	106	D482 T486	D482-I484 PolarHBondContact O-N 3.21Å; I484-T486 HydrophobicContact CG2-CG2 4.49Å; I484-T486 PolarHBondContact O-N 2.7Å; I484-T486 VanDerWaalsContact O-N 3.09Å
485	D	32.8	Very low	45	Very low	132 Å²	132	106 Å²	106	71%	0.706	62%	0.621	S	S	*	*			trans	-58.5	110.4	155.4	-88.7	-31.5	0	0	0	106.8	D483 D487	D483-D485 PolarHBondContact O-N 3.04Å; D483-D485 VanDerWaalsContact O-N 3.12Å; D485-D487 PolarHBondContact O-N 2.99Å
486	T	32.3	Very low	43	Very low	118 Å²	118	112.2 Å²	112.2	72%	0.724	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	5.4	-178.2	44.1	0	0	0	0	114.1	I484	I484-T486 HydrophobicContact CG2-CG2 4.49Å; I484-T486 PolarHBondContact O-N 2.7Å; I484-T486 VanDerWaalsContact O-N 3.09Å
487	D	32.9	Very low	41	Very low	129 Å²	129	114.2 Å²	114.2	69%	0.69	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-12.1	-169.4	-70.1	-9.2	0	0	0	113.8	D485	D485-D487 PolarHBondContact O-N 2.99Å
488	D	32.2	Very low	39.2	Very low	151 Å²	151	122.8 Å²	122.8	81%	0.807	70%	0.704	S	S	*	*	S	Bend	trans	-104.9	16.1	-171.7	-78.4	-13.3	0	0	0	115.2
489	L	34.7	Very low	37.7	Very low	165 Å²	165	126.6 Å²	126.6	86%	0.864	72%	0.719	S	S	*	*	S	Bend	trans	-102.4	3.7	173.8	-72.5	177.3	0	0	0	114.7
490	E	33.4	Very low	36.2	Very low	153 Å²	153	127.5 Å²	127.5	72%	0.715	74%	0.735	S	S	*	*			trans	-99.7	78.9	171.1	-67.3	-170.2	-178	0	0	109.8
491	D	34.6	Very low	35	Very low	152 Å²	152	128.3 Å²	128.3	81%	0.813	74%	0.743	S	S	*	*			trans	-173.2	71.9	156.3	-92.4	-23.9	0	0	0	110.3
492	V	32.9	Very low	34.3	Very low	142 Å²	142	132.3 Å²	132.3	86%	0.861	76%	0.764	S	S	*	*			trans	-130.8	91.3	150	-172.6	0	0	0	0	107.2	D494	V492-D494 PolarHBondContact O-N 2.97Å
493	D	30.3	Very low	33.8	Very low	137 Å²	137	137.3 Å²	137.3	73%	0.733	79%	0.791	S	S	*	*			trans	-49.2	114	166.4	-94.5	-35.4	0	0	0	110.7	S495	D493-S495 VanDerWaalsContact C-N 3.25Å; D493-S495 PolarHBondContact O-N 3.18Å
494	D	33.8	Very low	33.7	Very low	163 Å²	163	137.3 Å²	137.3	87%	0.872	79%	0.791	S	S	*	*			trans	-71.8	87.2	155.9	-101	-29.7	0	0	0	107.7	V492	V492-D494 PolarHBondContact O-N 2.97Å
495	S	34.9	Very low	33.5	Very low	95 Å²	95	139.5 Å²	139.5	66%	0.664	80%	0.804	S	S	*	*			trans	-120.1	54.5	168.2	62.5	0	0	0	0	111.3	D493 G497	D493-S495 VanDerWaalsContact C-N 3.25Å; D493-S495 PolarHBondContact O-N 3.18Å; S495-G497 PolarHBondContact O-N 3.11Å
496	D	36.3	Very low	33.6	Very low	162 Å²	162	136.1 Å²	136.1	87%	0.866	80%	0.8	S	S	*	*			trans	-84.1	94.1	160.9	-84.3	-18.8	0	0	0	109.2
497	G	31.5	Very low	33.7	Very low	72 Å²	72	139.6 Å²	139.6	74%	0.742	81%	0.807	S	S	*	*			trans	-57.3	133.3	172.6	0	0	0	0	0	112.2	S495 D499	S495-G497 PolarHBondContact O-N 3.11Å; G497-D499 PolarHBondContact O-N 2.63Å
498	E	37.1	Very low	34.2	Very low	196 Å²	196	140.4 Å²	140.4	92%	0.916	81%	0.812	S	S	*	*			trans	-52.8	120.4	159.2	-63.7	177.6	154.4	0	0	109.9
499	D	35	Very low	34.8	Very low	173 Å²	173	141.6 Å²	141.6	93%	0.925	81%	0.812	S	S	*	*			trans	-154.6	111	149.6	-124.4	-12.8	0	0	0	109.6	G497	G497-D499 PolarHBondContact O-N 2.63Å
500	G	30.1	Very low	35	Very low	79 Å²	79	145.1 Å²	145.1	81%	0.814	83%	0.831	S	S	*	*			trans	-176.6	37.4	-172.4	0	0	0	0	0	117.4
501	G	29.7	Very low	35.1	Very low	74 Å²	74	144.8 Å²	144.8	76%	0.763	84%	0.837	S	S	*	*			trans	63.8	105.4	144.6	0	0	0	0	0	119.6	D503	G501-D503 PolarHBondContact O-N 3.39Å
502	D	35.3	Very low	35.1	Very low	165 Å²	165	144.4 Å²	144.4	88%	0.882	84%	0.838	S	S	*	*			trans	-56.7	126.2	147.8	-79.4	-39.5	0	0	0	109.9
503	D	33	Very low	35.2	Very low	170 Å²	170	144.5 Å²	144.5	91%	0.909	84%	0.837	S	S	*	*			trans	-141.8	116.8	144	-94.2	-32.1	0	0	0	109.1	G501	G501-D503 PolarHBondContact O-N 3.39Å
504	D	36.1	Very low	35.5	Very low	143 Å²	143	144.9 Å²	144.9	77%	0.765	84%	0.843	S	S	*	*			trans	-55.6	133	168.8	-170.1	23.1	0	0	0	111
505	D	33.7	Very low	35.6	Very low	159 Å²	159	143.8 Å²	143.8	85%	0.85	84%	0.841	S	S	*	*			trans	-174.8	113	137.2	-96.9	-26.3	0	0	0	109.8
506	G	35.8	Very low	35.7	Very low	60 Å²	60	147.1 Å²	147.1	62%	0.619	85%	0.853	S	S	*	*			trans	-66.4	155.2	174.8	0	0	0	0	0	113.3
507	H	33.8	Very low	35.6	Very low	191 Å²	191	146 Å²	146	88%	0.884	85%	0.852	S	S	*	*			trans	-159.7	122.8	143.4	-114.1	-73.1	0	0	0	111
508	D	43.8	Very low	36	Very low	147 Å²	147	151.7 Å²	151.7	79%	0.786	86%	0.861	S	S	*	*			trans	-45.3	140.8	155.5	-73	-48.9	0	0	0	111.2
509	E	44.3	Very low	35.9	Very low	175 Å²	175	148 Å²	148	82%	0.818	86%	0.856	S	S	*	*				169.3	130.6	109	-91.2	-167.8	174.7	0	0	112.3
510	L	39.7	Very low	35.9	Very low	240 Å²	240	145.7 Å²	145.7	100%	1.257	85%	0.85	S	S	*	*			trans	79.8	0	152.2	-62.1	170.2	0	0	0	120.9

Retrieved 510 of 510 residues in 1198.6 ms (Link to these results)

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