A0A077YZ84_TRITR Loading...

Proliferation associated protein 2g4

AlphaFold DB , UniProt , Accession A0A077YZ84, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 393 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	37	Very low	248 Å²	248	163.3 Å²	163.3	100%	1.222	81%	0.814	S	S	*	*				0	96	0	-76.9	171.1	71.1	0	0	107.8
2	S	40.5	Very low	37.4	Very low	121 Å²	121	157.8 Å²	157.8	85%	0.846	80%	0.803	S	S	*	*			trans	-141.2	68.2	168.7	63.2	0	0	0	0	107.5
3	E	38.3	Very low	37.5	Very low	179 Å²	179	159.2 Å²	159.2	84%	0.836	81%	0.805	S	S	*	*			trans	-105.7	130.5	160.3	-72.1	-179.7	158.7	0	0	105.4
4	R	41.2	Very low	37.7	Very low	231 Å²	231	157 Å²	157	87%	0.872	80%	0.796	S	S	*	*			trans	116.6	96.8	-165.6	-73.5	168.4	-151.8	-156.4	5.6	106.5
5	D	40	Very low	38.6	Very low	133 Å²	133	154.7 Å²	154.7	71%	0.711	78%	0.781	S	S	*	*			cis	-145.2	107	42.7	-60.8	-47.2	0	0	0	109.3	D7	D5-D7 VanDerWaalsContact C-N 3.28Å
6	K	38.9	Very low	40.2	Very low	205 Å²	205	154.3 Å²	154.3	89%	0.891	78%	0.776	S	S	*	*			trans	-90.3	87.1	147	-79.4	-175.4	178.6	-179.9	0	103.9	T8	K6-T8 PolarHBondContact O-N 3.47Å
7	D	36.7	Very low	43	Very low	142 Å²	142	149.1 Å²	149.1	76%	0.759	75%	0.751	S	S	*	*			trans	-51.3	104.8	155.5	-76.6	-36.5	0	0	0	105.2	D5 E9	D5-D7 VanDerWaalsContact C-N 3.28Å; D7-E9 PolarHBondContact O-N 2.83Å
8	T	34.6	Very low	45.8	Very low	124 Å²	124	142.4 Å²	142.4	76%	0.761	72%	0.719	S	S	*	*			trans	-50.3	99	157.3	19.8	0	0	0	0	105.2	K6 E10	K6-T8 PolarHBondContact O-N 3.47Å; T8-E10 PolarHBondContact O-N 3.37Å
9	E	32.9	Very low	48.5	Very low	186 Å²	186	135.1 Å²	135.1	87%	0.869	68%	0.682	S	S	*	*			trans	-52.4	86.8	143.2	-73.7	-177.9	162.1	0	0	104.6	D7 S11	D7-E9 PolarHBondContact O-N 2.83Å; E9-S11 VanDerWaalsContact C-N 3.31Å; E9-S11 PolarHBondContact O-N 2.98Å
10	E	33.2	Very low	50.8	Low	171 Å²	171	130.9 Å²	130.9	80%	0.799	67%	0.669	S	S	*	*			trans	-46.4	110.7	157.9	-78.1	-179.6	163.2	0	0	104.3	T8 S12	T8-E10 PolarHBondContact O-N 3.37Å; E10-S12 PolarHBondContact O-N 2.73Å
11	S	34.4	Very low	53	Low	56 Å²	56	129 Å²	129	39%	0.392	65%	0.653	S	S	.	*			trans	-44	114.9	178.1	24.8	0	0	0	0	107.5	E9 E13 D14	E9-S11 VanDerWaalsContact C-N 3.31Å; E9-S11 PolarHBondContact O-N 2.98Å; S11-E13 PolarHBondContact O-N 2.97Å; S11-D14 PolarHBondContact O-N 3.15Å; S11-D14 PolarHBondContact OG-OD2 3.49Å
12	S	41.6	Very low	55.8	Low	97 Å²	97	123.6 Å²	123.6	68%	0.678	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	1.1	171.3	60.6	0	0	0	0	113.8	E10	E10-S12 PolarHBondContact O-N 2.73Å
13	E	39.3	Very low	58.4	Low	177 Å²	177	120.7 Å²	120.7	83%	0.827	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-18.4	172.1	-61.6	-171.8	156.9	0	0	113.8	S11	S11-E13 PolarHBondContact O-N 2.97Å
14	D	40.6	Very low	61.2	Low	128 Å²	128	112.2 Å²	112.2	68%	0.684	57%	0.567	S	S	*	*			trans	-87.7	-2.8	179.7	-68	-47.9	0	0	0	114.1	S11 E16	S11-D14 PolarHBondContact O-N 3.15Å; S11-D14 PolarHBondContact OG-OD2 3.49Å; D14-E16 PolarHBondContact O-N 2.73Å; D14-E16 VanDerWaalsContact O-N 3.13Å
15	Q	50.5	Low	63.8	Low	122 Å²	122	102.6 Å²	102.6	57%	0.57	53%	0.534	S	S	*	.	S	Bend	trans	-74.7	104.7	172.4	-72	-174.6	3.7	0	0	109.9	D17 R21	Q15-D17 PolarHBondContact O-N 3.44Å; Q15-R21 PolarHBondContact O-NH1 3.21Å
16	E	64.6	Low	66.6	Low	148 Å²	148	99.9 Å²	99.9	69%	0.692	52%	0.522	S	S	*	.			trans	-40.9	135.2	178.9	-66.9	-174	161	0	0	112.7	D14 T18	D14-E16 PolarHBondContact O-N 2.73Å; D14-E16 VanDerWaalsContact O-N 3.13Å; E16-T18 HydrophobicContact CB-CG2 3.66Å; E16-T18 PolarHBondContact O-N 3.17Å
17	D	87.1	Confident	69.4	Low	67 Å²	67	91.4 Å²	91.4	36%	0.358	49%	0.485	S	S	.	.			trans	-68.8	61.3	177.2	-88.8	-32.2	0	0	0	111.6	Q15 F123 R199	Q15-D17 PolarHBondContact O-N 3.44Å; D17-F123 HydrophobicContact CB-CE1 3.96Å; D17-F123 HydrophobicContact CB-CZ 3.85Å; D17-R199 HydrophobicContact CB-CB 4.48Å; D17-R199 WeakPolarHBondContact OD2-CD 3.41Å; D17-R199 IonicContact OD2-CZ 2.83Å; D17-R199 IonicContact OD2-NE 2.65Å; D17-R199 IonicContact OD2-NH1 3.72Å; D17-R199 PolarHBondContact OD2-NH1 3.28Å
18	T	93.8	Very high	72.3	Confident	28 Å²	28	84.9 Å²	84.9	17%	0.172	45%	0.45	C	S	.	.			trans	-105.4	160.1	-177.7	74.4	0	0	0	0	112.6	E16 A20 R21 V24	E16-T18 HydrophobicContact CB-CG2 3.66Å; E16-T18 PolarHBondContact O-N 3.17Å; T18-A20 PolarHBondContact O-N 3.41Å; T18-A20 VanDerWaalsContact O-N 3.09Å; T18-A20 WeakPolarHBondContact OG1-CB 3.33Å; T18-A20 PolarHBondContact OG1-N 2.96Å; T18-R21 PolarHBondContact O-N 2.5Å; T18-V24 VanDerWaalsContact O-CB 3.31Å; T18-V24 WeakPolarHBondContact O-CB 2.98Å; T18-V24 WeakPolarHBondContact O-CG2 3.45Å
19	I	96.3	Very high	75.4	Confident	4 Å²	4	80.8 Å²	80.8	2%	0.021	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	8.6	174.6	55.6	162.1	0	0	0	113.5	R21 V24 V25 Y228 E229 V230 L331 I332 L333	I19-R21 PolarHBondContact O-N 3.23Å; I19-V24 HydrophobicContact CG2-CG1 3.78Å; I19-V25 HydrophobicContact CB-CG2 3.72Å; I19-V25 HydrophobicContact CG2-CG2 4.03Å; I19-V25 WeakPolarHBondContact O-CG2 3.46Å; I19-Y228 VanDerWaalsContact CG1-CA 3.43Å; I19-Y228 HydrophobicContact CG1-CD1 4.31Å; I19-Y228 VanDerWaalsContact CG1-O 3.29Å; I19-Y228 WeakPolarHBondContact CG1-O 3.49Å; I19-E229 WeakPolarHBondContact CD1-O 3.39Å; I19-V230 HydrophobicContact CB-CG2 4.47Å; I19-V230 HydrophobicContact CD1-CG2 3.92Å; I19-V230 HydrophobicContact CG1-CG2 4.11Å; I19-V230 HydrophobicContact CG2-CG2 3.57Å; I19-L331 HydrophobicContact CD1-CB 3.79Å; I19-L331 HydrophobicContact CD1-CD2 4.38Å; I19-L331 HydrophobicContact CG2-CD2 4.26Å; I19-I332 WeakPolarHBondContact CD1-O 3.47Å; I19-L333 HydrophobicContact CB-CD2 4.48Å; I19-L333 HydrophobicContact CD1-CD2 3.79Å; I19-L333 HydrophobicContact CD1-CG 4.27Å; I19-L333 HydrophobicContact CG1-CD2 4.23Å
20	A	96	Very high	78.5	Confident	51 Å²	51	72.6 Å²	72.6	42%	0.421	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.7	161.9	0	0	0	0	0	111.6	T18 Y228	T18-A20 PolarHBondContact O-N 3.41Å; T18-A20 VanDerWaalsContact O-N 3.09Å; T18-A20 WeakPolarHBondContact OG1-CB 3.33Å; T18-A20 PolarHBondContact OG1-N 2.96Å; A20-Y228 VanDerWaalsContact CA-CE1 3.49Å; A20-Y228 HydrophobicContact CB-CD1 3.64Å; A20-Y228 HydrophobicContact CB-CD2 4.04Å; A20-Y228 HydrophobicContact CB-CE1 3.69Å; A20-Y228 HydrophobicContact CB-CE2 4.11Å; A20-Y228 HydrophobicContact CB-CG 3.79Å; A20-Y228 VanDerWaalsContact N-CD1 3.34Å
21	R	96	Very high	81.6	Confident	90 Å²	90	64.5 Å²	64.5	34%	0.34	35%	0.353	S	S	.	.	S	Bend	trans	-99.2	125.2	177.8	-58.6	169.4	68.2	179.3	4.7	110.1	Q15 T18 I19 V23 V24 V25	Q15-R21 PolarHBondContact O-NH1 3.21Å; T18-R21 PolarHBondContact O-N 2.5Å; I19-R21 PolarHBondContact O-N 3.23Å; R21-V23 HydrophobicContact CB-CG1 4.13Å; R21-V23 PolarHBondContact O-N 3.15Å; R21-V23 VanDerWaalsContact O-N 3.07Å; R21-V24 HydrophobicContact CB-CG2 4.16Å; R21-V24 WeakPolarHBondContact O-CB 3.47Å; R21-V24 PolarHBondContact O-N 3.3Å; R21-V25 PolarHBondContact O-N 3.06Å
22	D	95.4	Very high	84.7	Confident	135 Å²	135	61.9 Å²	61.9	72%	0.722	34%	0.335	S	S	*	.	H	α-helix	trans	-55.7	-31.4	178.9	-68.6	-20.1	0	0	0	113.2	V24 V25 T26	D22-V24 VanDerWaalsContact C-N 3.3Å; D22-V24 PolarHBondContact O-N 3.33Å; D22-V25 PolarHBondContact O-N 3.05Å; D22-T26 WeakPolarHBondContact O-CB 3.42Å; D22-T26 PolarHBondContact O-N 3.01Å; D22-T26 PolarHBondContact O-OG1 3.41Å
23	V	94.7	Very high	87.4	Confident	61 Å²	61	62.5 Å²	62.5	37%	0.37	33%	0.331	S	S	.	.	H	α-helix	trans	-64.9	-33.8	177.1	70	0	0	0	0	112.5	R21 K27	R21-V23 HydrophobicContact CB-CG1 4.13Å; R21-V23 PolarHBondContact O-N 3.15Å; R21-V23 VanDerWaalsContact O-N 3.07Å; V23-K27 WeakPolarHBondContact O-CG 3.29Å; V23-K27 PolarHBondContact O-N 3.1Å
24	V	96.9	Very high	90.2	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-74.2	-43.9	177.4	175	0	0	0	0	109.8	T18 I19 R21 D22 T26 K27 H28 F123	T18-V24 VanDerWaalsContact O-CB 3.31Å; T18-V24 WeakPolarHBondContact O-CB 2.98Å; T18-V24 WeakPolarHBondContact O-CG2 3.45Å; I19-V24 HydrophobicContact CG2-CG1 3.78Å; R21-V24 HydrophobicContact CB-CG2 4.16Å; R21-V24 WeakPolarHBondContact O-CB 3.47Å; R21-V24 PolarHBondContact O-N 3.3Å; D22-V24 VanDerWaalsContact C-N 3.3Å; D22-V24 PolarHBondContact O-N 3.33Å; V24-T26 VanDerWaalsContact C-N 3.27Å; V24-T26 PolarHBondContact O-N 2.92Å; V24-K27 PolarHBondContact O-N 3.1Å; V24-K27 VanDerWaalsContact O-N 3.13Å; V24-H28 PolarHBondContact O-CD2 2.95Å; V24-H28 PolarHBondContact O-N 3.14Å; V24-F123 HydrophobicContact CB-CE1 4.23Å; V24-F123 HydrophobicContact CB-CZ 4.4Å; V24-F123 HydrophobicContact CG1-CD1 3.55Å; V24-F123 HydrophobicContact CG1-CE1 3.32Å; V24-F123 HydrophobicContact CG1-CG 4.32Å; V24-F123 HydrophobicContact CG1-CZ 3.95Å; V24-F123 HydrophobicContact CG2-CE1 4.01Å; V24-F123 HydrophobicContact CG2-CZ 3.81Å
25	V	97.7	Very high	93	Very high	29 Å²	29	48.4 Å²	48.4	18%	0.176	26%	0.261	C	S	.	.	H	α-helix	trans	-56.1	-43.4	171.7	177.7	0	0	0	0	111	I19 R21 D22 K27 H28 S29 L331	I19-V25 HydrophobicContact CB-CG2 3.72Å; I19-V25 HydrophobicContact CG2-CG2 4.03Å; I19-V25 WeakPolarHBondContact O-CG2 3.46Å; R21-V25 PolarHBondContact O-N 3.06Å; D22-V25 PolarHBondContact O-N 3.05Å; V25-K27 VanDerWaalsContact C-N 3.33Å; V25-K27 PolarHBondContact O-N 3.42Å; V25-H28 PolarHBondContact O-N 2.9Å; V25-S29 WeakPolarHBondContact O-CB 3.38Å; V25-S29 PolarHBondContact O-N 3.4Å; V25-S29 PolarHBondContact O-OG 3.44Å; V25-L331 HydrophobicContact CG1-CD1 4.01Å
26	T	97.2	Very high	95.3	Very high	75 Å²	75	44.1 Å²	44.1	46%	0.46	24%	0.242	S	C	.	.	H	α-helix	trans	-60.9	-40.5	178.3	-59.4	0	0	0	0	111.7	D22 V24 S29 A30	D22-T26 WeakPolarHBondContact O-CB 3.42Å; D22-T26 PolarHBondContact O-N 3.01Å; D22-T26 PolarHBondContact O-OG1 3.41Å; V24-T26 VanDerWaalsContact C-N 3.27Å; V24-T26 PolarHBondContact O-N 2.92Å; T26-S29 PolarHBondContact O-N 3.47Å; T26-A30 WeakPolarHBondContact O-CB 3.22Å; T26-A30 PolarHBondContact O-N 3.08Å
27	K	97.5	Very high	96.9	Very high	27 Å²	27	38.4 Å²	38.4	12%	0.117	22%	0.22	C	C	.	.	H	α-helix	trans	-71.1	-42.5	179.5	-70.1	172.3	-175.8	175.7	0	112.1	V23 V24 V25 S29 A30 A31 V120 D121 F123	V23-K27 WeakPolarHBondContact O-CG 3.29Å; V23-K27 PolarHBondContact O-N 3.1Å; V24-K27 PolarHBondContact O-N 3.1Å; V24-K27 VanDerWaalsContact O-N 3.13Å; V25-K27 VanDerWaalsContact C-N 3.33Å; V25-K27 PolarHBondContact O-N 3.42Å; K27-S29 VanDerWaalsContact C-N 3.33Å; K27-S29 PolarHBondContact O-N 2.8Å; K27-A30 PolarHBondContact O-N 3.45Å; K27-A31 PolarHBondContact O-N 3.37Å; K27-V120 HydrophobicContact CB-CB 4.39Å; K27-V120 HydrophobicContact CB-CG1 4.34Å; K27-V120 HydrophobicContact CG-CG1 4.21Å; K27-D121 HydrophobicContact CD-CB 3.84Å; K27-D121 IonicContact NZ-OD2 2.8Å; K27-D121 PolarHBondContact NZ-OD2 3.3Å; K27-F123 HydrophobicContact CB-CB 4Å; K27-F123 HydrophobicContact CB-CD2 3.75Å; K27-F123 HydrophobicContact CB-CG 4.12Å; K27-F123 HydrophobicContact CD-CD2 3.39Å; K27-F123 HydrophobicContact CD-CE2 3.54Å; K27-F123 HydrophobicContact CD-CG 4.48Å; K27-F123 HydrophobicContact CG-CD2 4.23Å
28	H	98.6	Very high	97.5	Very high	5 Å²	5	35.2 Å²	35.2	2%	0.023	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-44.5	170.6	-82.4	-70.9	0	0	0	111.8	V24 V25 A31 A32 F123 I124 L331 I340	V24-H28 PolarHBondContact O-CD2 2.95Å; V24-H28 PolarHBondContact O-N 3.14Å; V25-H28 PolarHBondContact O-N 2.9Å; H28-A31 PolarHBondContact O-N 3.43Å; H28-A32 WeakPolarHBondContact O-CB 3.41Å; H28-A32 PolarHBondContact O-N 2.92Å; H28-F123 AromaticContact CD2-CD1 3.96Å; H28-F123 AromaticContact NE2-CD1 3.49Å; H28-F123 WeakPolarHBondContact NE2-CD1 3.05Å; H28-I124 PolarHBondContact CE1-N 2.98Å; H28-I124 PolarHBondContact CE1-O 3.16Å; H28-I124 PolarHBondContact ND1-O 2.91Å; H28-L331 HydrophobicContact CB-CD2 4.44Å; H28-I340 HydrophobicContact CB-CD1 3.83Å
29	S	98.5	Very high	97.8	Very high	38 Å²	38	33.9 Å²	33.9	27%	0.266	20%	0.195	S	C	.	.	H	α-helix	trans	-64.6	-41.7	179.5	-55.4	0	0	0	0	111.6	V25 T26 K27 A31 A32 D33	V25-S29 WeakPolarHBondContact O-CB 3.38Å; V25-S29 PolarHBondContact O-N 3.4Å; V25-S29 PolarHBondContact O-OG 3.44Å; T26-S29 PolarHBondContact O-N 3.47Å; K27-S29 VanDerWaalsContact C-N 3.33Å; K27-S29 PolarHBondContact O-N 2.8Å; S29-A31 VanDerWaalsContact C-N 3.35Å; S29-A31 PolarHBondContact O-N 2.88Å; S29-A32 CarbonylContact O-C 3.59Å; S29-A32 WeakPolarHBondContact O-CA 3.29Å; S29-A32 WeakPolarHBondContact O-CB 3.49Å; S29-A32 PolarHBondContact O-N 2.99Å; S29-D33 VanDerWaalsContact O-CG 3.31Å; S29-D33 PolarHBondContact O-N 2.77Å
30	A	98.5	Very high	97.9	Very high	15 Å²	15	35.8 Å²	35.8	12%	0.124	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-37.6	175.4	0	0	0	0	0	112.8	T26 K27 A32 I34 I70 F71 V120	T26-A30 WeakPolarHBondContact O-CB 3.22Å; T26-A30 PolarHBondContact O-N 3.08Å; K27-A30 PolarHBondContact O-N 3.45Å; A30-A32 VanDerWaalsContact C-N 3.31Å; A30-I34 WeakPolarHBondContact O-CG1 3.45Å; A30-I34 PolarHBondContact O-N 3.09Å; A30-I70 HydrophobicContact CB-CD1 4.13Å; A30-F71 HydrophobicContact CB-CE2 3.74Å; A30-F71 HydrophobicContact CB-CZ 4.23Å; A30-V120 HydrophobicContact CB-CG2 4.27Å
31	A	98.8	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.9	-38.4	170.7	0	0	0	0	0	111.3	K27 H28 S29 I34 V35 V120 A125	K27-A31 PolarHBondContact O-N 3.37Å; H28-A31 PolarHBondContact O-N 3.43Å; S29-A31 VanDerWaalsContact C-N 3.35Å; S29-A31 PolarHBondContact O-N 2.88Å; A31-I34 PolarHBondContact O-N 3.26Å; A31-V35 PolarHBondContact O-N 2.72Å; A31-V35 VanDerWaalsContact O-N 3.15Å; A31-V120 HydrophobicContact CB-CG2 4.14Å; A31-A125 HydrophobicContact CB-CB 3.72Å
32	A	98.9	Very high	98.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-42	178.5	0	0	0	0	0	112.5	H28 S29 A30 I34 V35 N36 A125 I340 T341	H28-A32 WeakPolarHBondContact O-CB 3.41Å; H28-A32 PolarHBondContact O-N 2.92Å; S29-A32 CarbonylContact O-C 3.59Å; S29-A32 WeakPolarHBondContact O-CA 3.29Å; S29-A32 WeakPolarHBondContact O-CB 3.49Å; S29-A32 PolarHBondContact O-N 2.99Å; A30-A32 VanDerWaalsContact C-N 3.31Å; A32-I34 VanDerWaalsContact C-N 3.28Å; A32-I34 PolarHBondContact O-N 3.02Å; A32-V35 WeakPolarHBondContact O-CG2 3.36Å; A32-V35 PolarHBondContact O-N 2.81Å; A32-N36 VanDerWaalsContact O-CB 3.3Å; A32-N36 WeakPolarHBondContact O-CB 3.3Å; A32-N36 PolarHBondContact O-N 2.78Å; A32-N36 PolarHBondContact O-ND2 2.9Å; A32-A125 VanDerWaalsContact CA-CB 3.48Å; A32-A125 HydrophobicContact CB-CB 3.8Å; A32-A125 VanDerWaalsContact N-CB 3.3Å; A32-I340 HydrophobicContact CB-CB 3.91Å; A32-I340 HydrophobicContact CB-CD1 3.94Å; A32-I340 HydrophobicContact CB-CG1 3.96Å; A32-I340 WeakPolarHBondContact CB-O 3.34Å; A32-T341 HydrophobicContact CB-CG2 3.67Å
33	D	98.8	Very high	98.3	Very high	110 Å²	110	27.1 Å²	27.1	59%	0.588	16%	0.16	S	C	*	.	H	α-helix	trans	-58.5	-40.9	175.3	-69	-23.5	0	0	0	111.5	S29 A37	S29-D33 VanDerWaalsContact O-CG 3.31Å; S29-D33 PolarHBondContact O-N 2.77Å; D33-A37 WeakPolarHBondContact O-CB 3.43Å; D33-A37 PolarHBondContact O-N 3.37Å; D33-A37 VanDerWaalsContact O-N 3.15Å
34	I	98.9	Very high	98.4	Very high	9 Å²	9	30.6 Å²	30.6	5%	0.046	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-57.6	175	-66.5	168	0	0	0	110	A30 A31 A32 N36 A37 V38 I63 R66 A67 I70 A118	A30-I34 WeakPolarHBondContact O-CG1 3.45Å; A30-I34 PolarHBondContact O-N 3.09Å; A31-I34 PolarHBondContact O-N 3.26Å; A32-I34 VanDerWaalsContact C-N 3.28Å; A32-I34 PolarHBondContact O-N 3.02Å; I34-N36 VanDerWaalsContact C-N 3.33Å; I34-N36 PolarHBondContact O-N 3.1Å; I34-A37 PolarHBondContact O-N 3.28Å; I34-V38 HydrophobicContact CG2-CG2 4.45Å; I34-V38 WeakPolarHBondContact O-CG2 3.4Å; I34-V38 PolarHBondContact O-N 3.27Å; I34-I63 HydrophobicContact CG2-CB 4.38Å; I34-I63 HydrophobicContact CG2-CG1 4.32Å; I34-I63 HydrophobicContact CG2-CG2 4.22Å; I34-R66 HydrophobicContact CG1-CB 4.03Å; I34-R66 HydrophobicContact CG2-CB 4.07Å; I34-A67 HydrophobicContact CD1-CB 4.02Å; I34-I70 HydrophobicContact CD1-CD1 3.66Å; I34-I70 HydrophobicContact CD1-CG1 4.48Å; I34-A118 HydrophobicContact CB-CB 4.4Å; I34-A118 HydrophobicContact CG2-CB 4.12Å
35	V	98.9	Very high	98.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.9	-32.7	-173.1	-57.4	0	0	0	0	112.7	A31 A32 L39 L116 A118 A125 V127 T341	A31-V35 PolarHBondContact O-N 2.72Å; A31-V35 VanDerWaalsContact O-N 3.15Å; A32-V35 WeakPolarHBondContact O-CG2 3.36Å; A32-V35 PolarHBondContact O-N 2.81Å; V35-L39 WeakPolarHBondContact O-CB 3.47Å; V35-L39 PolarHBondContact O-N 3.36Å; V35-L116 HydrophobicContact CB-CD1 3.75Å; V35-L116 HydrophobicContact CG1-CD1 3.91Å; V35-A118 HydrophobicContact CG1-CB 3.49Å; V35-A118 VanDerWaalsContact CG1-CB 3.49Å; V35-A118 VanDerWaalsContact CG1-N 3.28Å; V35-A125 HydrophobicContact CG2-CB 4.27Å; V35-V127 HydrophobicContact CB-CG1 3.9Å; V35-V127 HydrophobicContact CG2-CB 4.22Å; V35-V127 HydrophobicContact CG2-CG1 3.99Å; V35-T341 HydrophobicContact CG2-CG2 3.49Å; V35-T341 VanDerWaalsContact CG2-CG2 3.49Å
36	N	98.9	Very high	98.5	Very high	32 Å²	32	32.2 Å²	32.2	17%	0.171	18%	0.178	C	C	.	.	H	α-helix	trans	-67.4	-39.7	176.4	-71.6	-24.1	0	0	0	111.7	A32 I34 S40 I340 T341 G342	A32-N36 VanDerWaalsContact O-CB 3.3Å; A32-N36 WeakPolarHBondContact O-CB 3.3Å; A32-N36 PolarHBondContact O-N 2.78Å; A32-N36 PolarHBondContact O-ND2 2.9Å; I34-N36 VanDerWaalsContact C-N 3.33Å; I34-N36 PolarHBondContact O-N 3.1Å; N36-S40 WeakPolarHBondContact O-CB 3.41Å; N36-S40 PolarHBondContact O-N 3.06Å; N36-S40 PolarHBondContact O-OG 2.68Å; N36-I340 PolarHBondContact ND2-O 2.99Å; N36-T341 WeakPolarHBondContact OD1-CA 3.5Å; N36-T341 WeakPolarHBondContact OD1-CB 3.33Å; N36-G342 PolarHBondContact OD1-N 2.92Å
37	A	98.8	Very high	98.6	Very high	29 Å²	29	32.5 Å²	32.5	24%	0.24	17%	0.174	C	C	.	.	H	α-helix	trans	-66.2	-48.4	176.3	0	0	0	0	0	111.2	D33 I34 L39 S40 E41 R66	D33-A37 WeakPolarHBondContact O-CB 3.43Å; D33-A37 PolarHBondContact O-N 3.37Å; D33-A37 VanDerWaalsContact O-N 3.15Å; I34-A37 PolarHBondContact O-N 3.28Å; A37-L39 PolarHBondContact O-N 3.49Å; A37-S40 PolarHBondContact O-N 3.46Å; A37-E41 PolarHBondContact O-N 2.9Å; A37-E41 VanDerWaalsContact O-N 3.09Å; A37-R66 VanDerWaalsContact CB-NH1 3.33Å
38	V	98.9	Very high	98.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-43.1	177.8	177.7	0	0	0	0	111.4	I34 S40 E41 L42 E62 I63 L116	I34-V38 HydrophobicContact CG2-CG2 4.45Å; I34-V38 WeakPolarHBondContact O-CG2 3.4Å; I34-V38 PolarHBondContact O-N 3.27Å; V38-S40 VanDerWaalsContact C-N 3.33Å; V38-S40 PolarHBondContact O-N 2.9Å; V38-E41 PolarHBondContact O-N 2.93Å; V38-L42 HydrophobicContact CG1-CD1 3.87Å; V38-L42 HydrophobicContact CG1-CG 4.31Å; V38-L42 WeakPolarHBondContact O-CB 3.15Å; V38-L42 WeakPolarHBondContact O-CG 3.21Å; V38-L42 PolarHBondContact O-N 2.91Å; V38-E62 HydrophobicContact CG1-CB 4.26Å; V38-E62 HydrophobicContact CG2-CB 3.68Å; V38-I63 HydrophobicContact CB-CG1 4.46Å; V38-I63 HydrophobicContact CG1-CG1 4.3Å; V38-I63 HydrophobicContact CG2-CG1 4.05Å; V38-L116 HydrophobicContact CB-CD1 4.09Å; V38-L116 HydrophobicContact CG1-CD1 4Å
39	L	98.9	Very high	98.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-45.1	175.1	176	63.7	0	0	0	111.5	V35 A37 E41 L42 I43 I114 V127 H129 V343	V35-L39 WeakPolarHBondContact O-CB 3.47Å; V35-L39 PolarHBondContact O-N 3.36Å; A37-L39 PolarHBondContact O-N 3.49Å; L39-E41 VanDerWaalsContact C-N 3.28Å; L39-E41 PolarHBondContact O-N 2.91Å; L39-L42 PolarHBondContact O-N 2.88Å; L39-I43 HydrophobicContact CD1-CD1 3.98Å; L39-I43 HydrophobicContact CD1-CG1 4.11Å; L39-I43 HydrophobicContact CD2-CD1 4.45Å; L39-I43 HydrophobicContact CG-CD1 3.82Å; L39-I43 HydrophobicContact CG-CG1 4.37Å; L39-I43 WeakPolarHBondContact O-CB 3.34Å; L39-I43 VanDerWaalsContact O-CG1 3.25Å; L39-I43 WeakPolarHBondContact O-CG1 3.38Å; L39-I43 PolarHBondContact O-N 3.39Å; L39-I114 HydrophobicContact CD1-CB 4.02Å; L39-I114 HydrophobicContact CD1-CD1 4.19Å; L39-I114 HydrophobicContact CD1-CG2 3.74Å; L39-V127 HydrophobicContact CB-CG1 4.24Å; L39-V127 HydrophobicContact CD2-CB 4.4Å; L39-V127 HydrophobicContact CD2-CG1 4.01Å; L39-V127 HydrophobicContact CD2-CG2 3.51Å; L39-H129 HydrophobicContact CD1-CB 3.89Å; L39-H129 HydrophobicContact CD2-CB 4Å; L39-H129 HydrophobicContact CG-CB 4.47Å; L39-V343 HydrophobicContact CD2-CG1 4.2Å; L39-V343 HydrophobicContact CD2-CG2 4.47Å
40	S	98.7	Very high	98.6	Very high	43 Å²	43	38.8 Å²	38.8	30%	0.301	22%	0.221	S	C	.	.	H	α-helix	trans	-62.7	-36.3	-179.7	-60	0	0	0	0	112.3	N36 A37 V38 Q44	N36-S40 WeakPolarHBondContact O-CB 3.41Å; N36-S40 PolarHBondContact O-N 3.06Å; N36-S40 PolarHBondContact O-OG 2.68Å; A37-S40 PolarHBondContact O-N 3.46Å; V38-S40 VanDerWaalsContact C-N 3.33Å; V38-S40 PolarHBondContact O-N 2.9Å; S40-Q44 WeakPolarHBondContact O-CG 3.46Å; S40-Q44 PolarHBondContact O-N 2.9Å; S40-Q44 PolarHBondContact O-NE2 2.97Å
41	E	98.7	Very high	98.6	Very high	53 Å²	53	39 Å²	39	25%	0.248	22%	0.222	C	C	.	.	H	α-helix	trans	-73.2	-40.8	175.9	-71.7	169.1	-170.2	0	0	112	A37 V38 L39 Q44 Q45 F58 R66	A37-E41 PolarHBondContact O-N 2.9Å; A37-E41 VanDerWaalsContact O-N 3.09Å; V38-E41 PolarHBondContact O-N 2.93Å; L39-E41 VanDerWaalsContact C-N 3.28Å; L39-E41 PolarHBondContact O-N 2.91Å; E41-Q44 PolarHBondContact O-N 3.39Å; E41-Q45 WeakPolarHBondContact O-CG 3.37Å; E41-Q45 PolarHBondContact O-N 3.45Å; E41-F58 HydrophobicContact CB-CE1 3.95Å; E41-F58 HydrophobicContact CB-CZ 4.07Å; E41-F58 WeakPolarHBondContact OE2-CZ 3.46Å; E41-R66 IonicContact OE1-CZ 3.61Å; E41-R66 IonicContact OE1-NH1 3.66Å; E41-R66 IonicContact OE1-NH2 2.64Å; E41-R66 PolarHBondContact OE1-NH2 3.23Å; E41-R66 IonicContact OE2-CZ 3.71Å; E41-R66 IonicContact OE2-NH2 3.5Å; E41-R66 PolarHBondContact OE2-NH2 2.73Å; E41-R66 VanDerWaalsContact OE2-NH2 3.08Å
42	L	98.8	Very high	98.6	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-41.7	174.5	-75.2	169.7	0	0	0	111.9	V38 L39 Q44 Q45 C46 L55 F58 T84 I86 I114 L116	V38-L42 HydrophobicContact CG1-CD1 3.87Å; V38-L42 HydrophobicContact CG1-CG 4.31Å; V38-L42 WeakPolarHBondContact O-CB 3.15Å; V38-L42 WeakPolarHBondContact O-CG 3.21Å; V38-L42 PolarHBondContact O-N 2.91Å; L39-L42 PolarHBondContact O-N 2.88Å; L42-Q44 VanDerWaalsContact C-N 3.32Å; L42-Q44 PolarHBondContact O-N 2.92Å; L42-Q45 CarbonylContact O-C 3.59Å; L42-Q45 PolarHBondContact O-N 3.01Å; L42-C46 PolarHBondContact O-N 3.15Å; L42-C46 PolarHBondContact O-SG 3.21Å; L42-L55 HydrophobicContact CD2-CB 4.21Å; L42-L55 HydrophobicContact CD2-CD2 4.42Å; L42-L55 WeakPolarHBondContact CD2-O 3.47Å; L42-F58 HydrophobicContact CD2-CD1 3.71Å; L42-F58 HydrophobicContact CD2-CE1 4.33Å; L42-F58 HydrophobicContact CG-CD1 4.25Å; L42-F58 HydrophobicContact CG-CE1 4.43Å; L42-T84 HydrophobicContact CD1-CG2 3.87Å; L42-I86 HydrophobicContact CD2-CD1 4.31Å; L42-I114 HydrophobicContact CB-CD1 3.93Å; L42-I114 HydrophobicContact CB-CG2 4.41Å; L42-I114 HydrophobicContact CD1-CG2 3.78Å; L42-L116 HydrophobicContact CD1-CD2 3.68Å
43	I	98.5	Very high	98.5	Very high	42 Å²	42	40.1 Å²	40.1	22%	0.215	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-45.3	175.4	-72.3	169.4	0	0	0	110.5	L39 Q45 C46 I114 L131 V343	L39-I43 HydrophobicContact CD1-CD1 3.98Å; L39-I43 HydrophobicContact CD1-CG1 4.11Å; L39-I43 HydrophobicContact CD2-CD1 4.45Å; L39-I43 HydrophobicContact CG-CD1 3.82Å; L39-I43 HydrophobicContact CG-CG1 4.37Å; L39-I43 WeakPolarHBondContact O-CB 3.34Å; L39-I43 VanDerWaalsContact O-CG1 3.25Å; L39-I43 WeakPolarHBondContact O-CG1 3.38Å; L39-I43 PolarHBondContact O-N 3.39Å; I43-Q45 VanDerWaalsContact C-N 3.29Å; I43-Q45 PolarHBondContact O-N 2.84Å; I43-C46 PolarHBondContact O-N 2.83Å; I43-I114 HydrophobicContact CG1-CD1 3.92Å; I43-L131 HydrophobicContact CB-CD2 4.25Å; I43-L131 HydrophobicContact CG1-CD2 3.8Å; I43-L131 HydrophobicContact CG2-CD2 4.27Å; I43-V343 HydrophobicContact CD1-CG2 3.57Å
44	Q	97.9	Very high	98.5	Very high	134 Å²	134	38.2 Å²	38.2	63%	0.626	22%	0.222	S	C	*	.	H	α-helix	trans	-62.9	-37.7	178	-73.8	168.8	62.9	0	0	112.2	S40 E41 L42 Q47	S40-Q44 WeakPolarHBondContact O-CG 3.46Å; S40-Q44 PolarHBondContact O-N 2.9Å; S40-Q44 PolarHBondContact O-NE2 2.97Å; E41-Q44 PolarHBondContact O-N 3.39Å; L42-Q44 VanDerWaalsContact C-N 3.32Å; L42-Q44 PolarHBondContact O-N 2.92Å; Q44-Q47 PolarHBondContact O-NE2 3.29Å
45	Q	98.5	Very high	98.5	Very high	63 Å²	63	37.9 Å²	37.9	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-80.2	-9.6	178.7	-68.5	-180	63.2	0	0	114.1	E41 L42 I43 Q47 Q50 L55	E41-Q45 WeakPolarHBondContact O-CG 3.37Å; E41-Q45 PolarHBondContact O-N 3.45Å; L42-Q45 CarbonylContact O-C 3.59Å; L42-Q45 PolarHBondContact O-N 3.01Å; I43-Q45 VanDerWaalsContact C-N 3.29Å; I43-Q45 PolarHBondContact O-N 2.84Å; Q45-Q47 PolarHBondContact O-N 3.38Å; Q45-Q50 VanDerWaalsContact O-CG 3.26Å; Q45-Q50 WeakPolarHBondContact O-CG 3.3Å; Q45-L55 HydrophobicContact CB-CD2 3.46Å; Q45-L55 VanDerWaalsContact CB-CD2 3.46Å; Q45-L55 HydrophobicContact CG-CD2 4.47Å
46	C	98.4	Very high	98.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.22	C	C	.	.			trans	-75.7	79	175	-73.7	0	0	0	0	110.9	L42 I43 L106 L131	L42-C46 PolarHBondContact O-N 3.15Å; L42-C46 PolarHBondContact O-SG 3.21Å; I43-C46 PolarHBondContact O-N 2.83Å; C46-L106 HydrophobicContact CB-CD1 4.1Å; C46-L131 HydrophobicContact CB-CD1 3.73Å; C46-L131 HydrophobicContact CB-CD2 4.1Å; C46-L131 HydrophobicContact CB-CG 4.49Å
47	Q	97.8	Very high	98.5	Very high	82 Å²	82	38 Å²	38	38%	0.383	22%	0.222	S	C	.	.			trans	-119.7	159	-179.4	-58	-63.5	-31.8	0	0	110.6	Q44 Q45 G49 Q50	Q44-Q47 PolarHBondContact O-NE2 3.29Å; Q45-Q47 PolarHBondContact O-N 3.38Å; Q47-G49 PolarHBondContact O-N 2.96Å; Q47-Q50 HydrophobicContact CB-CG 3.89Å; Q47-Q50 WeakPolarHBondContact O-CB 3.47Å; Q47-Q50 WeakPolarHBondContact O-CG 3.46Å; Q47-Q50 PolarHBondContact O-N 3.46Å; Q47-Q50 VanDerWaalsContact O-N 3.16Å
48	S	97.8	Very high	98.5	Very high	70 Å²	70	39 Å²	39	49%	0.49	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	137.5	173	-171.4	0	0	0	0	111.1	Q50 L106	S48-Q50 VanDerWaalsContact C-N 3.34Å; S48-L106 CarbonylContact C-O 3.59Å; S48-L106 WeakPolarHBondContact CA-O 3.18Å
49	G	98	Very high	98.5	Very high	52 Å²	52	39 Å²	39	54%	0.536	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-5.3	-176.4	0	0	0	0	0	115	Q47 L106	Q47-G49 PolarHBondContact O-N 2.96Å; G49-L106 PolarHBondContact N-O 2.83Å
50	Q	98.5	Very high	98.5	Very high	80 Å²	80	39.4 Å²	39.4	37%	0.374	22%	0.223	S	C	.	.			trans	-79.9	143.3	-176.9	-65.2	-72.7	-27.1	0	0	112.1	Q45 Q47 S48 L55 T105 L106	Q45-Q50 VanDerWaalsContact O-CG 3.26Å; Q45-Q50 WeakPolarHBondContact O-CG 3.3Å; Q47-Q50 HydrophobicContact CB-CG 3.89Å; Q47-Q50 WeakPolarHBondContact O-CB 3.47Å; Q47-Q50 WeakPolarHBondContact O-CG 3.46Å; Q47-Q50 PolarHBondContact O-N 3.46Å; Q47-Q50 VanDerWaalsContact O-N 3.16Å; S48-Q50 VanDerWaalsContact C-N 3.34Å; Q50-L55 HydrophobicContact CB-CD1 4.21Å; Q50-T105 WeakPolarHBondContact O-CA 3.3Å; Q50-L106 HydrophobicContact CB-CD1 4.3Å; Q50-L106 PolarHBondContact O-N 3.4Å
51	S	98.6	Very high	98.5	Very high	19 Å²	19	42 Å²	42	13%	0.133	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-83.9	120.2	-179.9	161.6	0	0	0	0	110.8	K53 S54 L55 D103	S51-K53 VanDerWaalsContact C-N 3.26Å; S51-K53 PolarHBondContact O-N 3.3Å; S51-K53 PolarHBondContact OG-N 3.5Å; S51-S54 PolarHBondContact O-N 3Å; S51-S54 PolarHBondContact OG-N 3.45Å; S51-S54 PolarHBondContact OG-OG 2.97Å; S51-L55 VanDerWaalsContact O-CG 3.26Å; S51-L55 WeakPolarHBondContact O-CG 2.96Å; S51-L55 PolarHBondContact O-N 3.01Å; S51-D103 WeakPolarHBondContact CB-OD2 3.46Å; S51-D103 VanDerWaalsContact OG-CG 3.26Å; S51-D103 PolarHBondContact OG-OD1 3.46Å; S51-D103 PolarHBondContact OG-OD2 2.61Å
52	V	98.7	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-38.2	175	169.7	0	0	0	0	111.3	L55 C56 I86 V88 F95 V104 L106	V52-L55 PolarHBondContact O-N 3.4Å; V52-C56 WeakPolarHBondContact O-CB 3.29Å; V52-C56 PolarHBondContact O-N 2.99Å; V52-C56 PolarHBondContact O-SG 2.7Å; V52-I86 HydrophobicContact CG1-CB 3.9Å; V52-I86 HydrophobicContact CG1-CG2 3.96Å; V52-I86 HydrophobicContact CG2-CG2 4.2Å; V52-V88 HydrophobicContact CG2-CG2 4.02Å; V52-F95 HydrophobicContact CB-CE1 4.48Å; V52-F95 HydrophobicContact CG1-CD1 3.73Å; V52-F95 HydrophobicContact CG1-CE1 3.68Å; V52-V104 HydrophobicContact CB-CB 4.01Å; V52-V104 WeakPolarHBondContact CB-O 3.12Å; V52-V104 HydrophobicContact CG2-CB 3.85Å; V52-V104 HydrophobicContact CG2-CG1 3.89Å; V52-V104 VanDerWaalsContact CG2-O 3.26Å; V52-V104 WeakPolarHBondContact CG2-O 3.5Å; V52-V104 PolarHBondContact N-O 3.39Å; V52-L106 HydrophobicContact CG2-CD2 3.52Å; V52-L106 HydrophobicContact CG2-CG 4.02Å
53	K	98.1	Very high	98.5	Very high	25 Å²	25	41 Å²	41	11%	0.109	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-46.3	175.7	-179.4	-170.7	-64.9	-175.9	0	112.3	S51 C56 T57 P97 L98 Q99 E101 D103	S51-K53 VanDerWaalsContact C-N 3.26Å; S51-K53 PolarHBondContact O-N 3.3Å; S51-K53 PolarHBondContact OG-N 3.5Å; K53-C56 PolarHBondContact O-N 3.4Å; K53-T57 WeakPolarHBondContact O-CB 3.46Å; K53-T57 PolarHBondContact O-N 2.88Å; K53-T57 PolarHBondContact O-OG1 2.85Å; K53-P97 HydrophobicContact CB-CG 4.13Å; K53-L98 WeakPolarHBondContact CE-O 3.22Å; K53-Q99 PolarHBondContact NZ-O 3.02Å; K53-E101 WeakPolarHBondContact CE-O 3.42Å; K53-E101 PolarHBondContact NZ-O 3.49Å; K53-D103 WeakPolarHBondContact CB-OD1 3.41Å; K53-D103 PolarHBondContact N-OD1 3.27Å; K53-D103 VanDerWaalsContact N-OD1 3.09Å
54	S	98.4	Very high	98.5	Very high	70 Å²	70	42.9 Å²	42.9	49%	0.49	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-43.4	176.5	-66.3	0	0	0	0	111.6	S51 T57 F58	S51-S54 PolarHBondContact O-N 3Å; S51-S54 PolarHBondContact OG-N 3.45Å; S51-S54 PolarHBondContact OG-OG 2.97Å; S54-T57 PolarHBondContact O-N 2.76Å; S54-F58 WeakPolarHBondContact O-CB 3.41Å; S54-F58 PolarHBondContact O-N 2.94Å
55	L	98.9	Very high	98.5	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-62.8	-43.7	177.2	-67.2	171.8	0	0	0	112.1	L42 Q45 Q50 S51 V52 T57 F58 G59 I86 L106	L42-L55 HydrophobicContact CD2-CB 4.21Å; L42-L55 HydrophobicContact CD2-CD2 4.42Å; L42-L55 WeakPolarHBondContact CD2-O 3.47Å; Q45-L55 HydrophobicContact CB-CD2 3.46Å; Q45-L55 VanDerWaalsContact CB-CD2 3.46Å; Q45-L55 HydrophobicContact CG-CD2 4.47Å; Q50-L55 HydrophobicContact CB-CD1 4.21Å; S51-L55 VanDerWaalsContact O-CG 3.26Å; S51-L55 WeakPolarHBondContact O-CG 2.96Å; S51-L55 PolarHBondContact O-N 3.01Å; V52-L55 PolarHBondContact O-N 3.4Å; L55-T57 VanDerWaalsContact C-N 3.29Å; L55-T57 PolarHBondContact O-N 2.82Å; L55-F58 PolarHBondContact O-N 2.84Å; L55-G59 PolarHBondContact O-N 3.13Å; L55-I86 HydrophobicContact CB-CD1 3.39Å; L55-I86 HydrophobicContact CD1-CD1 4.33Å; L55-I86 HydrophobicContact CG-CD1 4.48Å; L55-L106 HydrophobicContact CD1-CD1 3.74Å
56	C	98.9	Very high	98.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-39.1	175.6	-67.1	0	0	0	0	111.9	V52 K53 D60 R288	V52-C56 WeakPolarHBondContact O-CB 3.29Å; V52-C56 PolarHBondContact O-N 2.99Å; V52-C56 PolarHBondContact O-SG 2.7Å; K53-C56 PolarHBondContact O-N 3.4Å; C56-D60 PolarHBondContact O-N 3.37Å; C56-R288 PolarHBondContact O-NH2 3.16Å
57	T	98.6	Very high	98.5	Very high	35 Å²	35	40.9 Å²	40.9	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-43	177.8	-56.5	0	0	0	0	111.1	K53 S54 L55 D60 N61 Q99 R288	K53-T57 WeakPolarHBondContact O-CB 3.46Å; K53-T57 PolarHBondContact O-N 2.88Å; K53-T57 PolarHBondContact O-OG1 2.85Å; S54-T57 PolarHBondContact O-N 2.76Å; L55-T57 VanDerWaalsContact C-N 3.29Å; L55-T57 PolarHBondContact O-N 2.82Å; T57-D60 PolarHBondContact O-N 3.26Å; T57-N61 WeakPolarHBondContact O-CB 3.26Å; T57-N61 PolarHBondContact O-N 2.8Å; T57-N61 PolarHBondContact O-ND2 2.81Å; T57-Q99 PolarHBondContact OG1-NE2 2.96Å; T57-R288 WeakPolarHBondContact OG1-CD 3.37Å
58	F	98.8	Very high	98.4	Very high	51 Å²	51	40.2 Å²	40.2	22%	0.224	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-50.9	174.2	170.8	-91.4	0	0	0	111.4	E41 L42 S54 L55 D60 N61 E62	E41-F58 HydrophobicContact CB-CE1 3.95Å; E41-F58 HydrophobicContact CB-CZ 4.07Å; E41-F58 WeakPolarHBondContact OE2-CZ 3.46Å; L42-F58 HydrophobicContact CD2-CD1 3.71Å; L42-F58 HydrophobicContact CD2-CE1 4.33Å; L42-F58 HydrophobicContact CG-CD1 4.25Å; L42-F58 HydrophobicContact CG-CE1 4.43Å; S54-F58 WeakPolarHBondContact O-CB 3.41Å; S54-F58 PolarHBondContact O-N 2.94Å; L55-F58 PolarHBondContact O-N 2.84Å; F58-D60 VanDerWaalsContact C-N 3.35Å; F58-D60 PolarHBondContact O-N 2.77Å; F58-N61 PolarHBondContact O-N 3.49Å; F58-E62 HydrophobicContact CD1-CG 4.32Å; F58-E62 HydrophobicContact CD2-CG 4.18Å; F58-E62 HydrophobicContact CE1-CG 3.8Å; F58-E62 HydrophobicContact CE2-CG 3.64Å; F58-E62 HydrophobicContact CG-CG 4.49Å; F58-E62 HydrophobicContact CZ-CG 3.43Å; F58-E62 VanDerWaalsContact CZ-CG 3.43Å; F58-E62 WeakPolarHBondContact O-CG 3.27Å; F58-E62 PolarHBondContact O-N 3.19Å
59	G	98.9	Very high	98.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-44.7	-179	0	0	0	0	0	113	L55 E62 I63 T84	L55-G59 PolarHBondContact O-N 3.13Å; G59-E62 PolarHBondContact O-N 2.98Å; G59-I63 VanDerWaalsContact O-CG1 3.28Å; G59-I63 WeakPolarHBondContact O-CG1 3.34Å; G59-I63 PolarHBondContact O-N 3.37Å; G59-I63 VanDerWaalsContact O-N 3.07Å; G59-T84 VanDerWaalsContact C-OG1 3.25Å; G59-T84 WeakPolarHBondContact CA-OG1 3.26Å
60	D	98.8	Very high	98.3	Very high	7 Å²	7	42 Å²	42	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-45.2	178	-71.6	-11.7	0	0	0	112.2	C56 T57 F58 E62 I63 V64 I80 T84 R288	C56-D60 PolarHBondContact O-N 3.37Å; T57-D60 PolarHBondContact O-N 3.26Å; F58-D60 VanDerWaalsContact C-N 3.35Å; F58-D60 PolarHBondContact O-N 2.77Å; D60-E62 PolarHBondContact O-N 3.17Å; D60-I63 PolarHBondContact O-N 2.99Å; D60-V64 WeakPolarHBondContact O-CG2 3.3Å; D60-V64 PolarHBondContact O-N 3.02Å; D60-V64 VanDerWaalsContact O-N 3.12Å; D60-I80 HydrophobicContact CB-CD1 3.75Å; D60-T84 PolarHBondContact N-OG1 2.9Å; D60-T84 VanDerWaalsContact OD1-CB 3.3Å; D60-T84 WeakPolarHBondContact OD1-CB 3.42Å; D60-T84 PolarHBondContact OD1-N 3.5Å; D60-T84 PolarHBondContact OD1-OG1 3.33Å; D60-R288 IonicContact OD2-CZ 3.59Å; D60-R288 IonicContact OD2-NE 3.37Å; D60-R288 IonicContact OD2-NH2 3.78Å; D60-R288 PolarHBondContact OD2-NH2 2.97Å
61	N	98.6	Very high	97.9	Very high	98 Å²	98	41.1 Å²	41.1	52%	0.524	22%	0.215	S	C	.	.	H	α-helix	trans	-62	-44.4	179.2	-72.9	-14.2	0	0	0	111.3	T57 F58 I63 V64 E65	T57-N61 WeakPolarHBondContact O-CB 3.26Å; T57-N61 PolarHBondContact O-N 2.8Å; T57-N61 PolarHBondContact O-ND2 2.81Å; F58-N61 PolarHBondContact O-N 3.49Å; N61-I63 PolarHBondContact O-N 3.17Å; N61-V64 PolarHBondContact O-N 3.41Å; N61-E65 WeakPolarHBondContact O-CB 3.18Å; N61-E65 PolarHBondContact O-N 2.98Å
62	E	98.8	Very high	97.5	Very high	33 Å²	33	47.8 Å²	47.8	15%	0.154	24%	0.242	C	C	.	.	H	α-helix	trans	-64.6	-39.3	178.5	-78	-63.3	133.3	0	0	112.7	V38 F58 G59 D60 E65 R66	V38-E62 HydrophobicContact CG1-CB 4.26Å; V38-E62 HydrophobicContact CG2-CB 3.68Å; F58-E62 HydrophobicContact CD1-CG 4.32Å; F58-E62 HydrophobicContact CD2-CG 4.18Å; F58-E62 HydrophobicContact CE1-CG 3.8Å; F58-E62 HydrophobicContact CE2-CG 3.64Å; F58-E62 HydrophobicContact CG-CG 4.49Å; F58-E62 HydrophobicContact CZ-CG 3.43Å; F58-E62 VanDerWaalsContact CZ-CG 3.43Å; F58-E62 WeakPolarHBondContact O-CG 3.27Å; F58-E62 PolarHBondContact O-N 3.19Å; G59-E62 PolarHBondContact O-N 2.98Å; D60-E62 PolarHBondContact O-N 3.17Å; E62-E65 PolarHBondContact O-N 3.16Å; E62-R66 VanDerWaalsContact O-CB 3.31Å; E62-R66 WeakPolarHBondContact O-CB 3.48Å; E62-R66 WeakPolarHBondContact O-CD 3.15Å; E62-R66 WeakPolarHBondContact O-CG 3.47Å; E62-R66 PolarHBondContact O-N 2.74Å; E62-R66 IonicContact OE2-CZ 2.61Å; E62-R66 IonicContact OE2-NE 3.43Å; E62-R66 PolarHBondContact OE2-NE 3.26Å; E62-R66 IonicContact OE2-NH2 2.69Å; E62-R66 PolarHBondContact OE2-NH2 3.17Å
63	I	98.9	Very high	96.9	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-49.4	174.6	-68.6	166	0	0	0	110.1	I34 V38 G59 D60 N61 R66 A67 I80 L116 A118	I34-I63 HydrophobicContact CG2-CB 4.38Å; I34-I63 HydrophobicContact CG2-CG1 4.32Å; I34-I63 HydrophobicContact CG2-CG2 4.22Å; V38-I63 HydrophobicContact CB-CG1 4.46Å; V38-I63 HydrophobicContact CG1-CG1 4.3Å; V38-I63 HydrophobicContact CG2-CG1 4.05Å; G59-I63 VanDerWaalsContact O-CG1 3.28Å; G59-I63 WeakPolarHBondContact O-CG1 3.34Å; G59-I63 PolarHBondContact O-N 3.37Å; G59-I63 VanDerWaalsContact O-N 3.07Å; D60-I63 PolarHBondContact O-N 2.99Å; N61-I63 PolarHBondContact O-N 3.17Å; I63-R66 PolarHBondContact O-N 3.14Å; I63-A67 WeakPolarHBondContact O-CB 3.36Å; I63-A67 PolarHBondContact O-N 2.86Å; I63-I80 HydrophobicContact CB-CG1 4.09Å; I63-I80 HydrophobicContact CD1-CG1 4.34Å; I63-I80 HydrophobicContact CG2-CB 4.49Å; I63-I80 HydrophobicContact CG2-CG1 3.72Å; I63-L116 HydrophobicContact CD1-CB 4.08Å; I63-L116 HydrophobicContact CD1-CD1 3.69Å; I63-L116 HydrophobicContact CD1-CG 4.5Å; I63-L116 HydrophobicContact CG1-CD1 4.16Å; I63-A118 HydrophobicContact CG2-CB 3.87Å
64	V	98.2	Very high	96	Very high	80 Å²	80	62.7 Å²	62.7	49%	0.485	31%	0.307	S	S	.	.	H	α-helix	trans	-62.6	-46	-179.4	172.9	0	0	0	0	110.8	D60 N61 A67 S68 I80	D60-V64 WeakPolarHBondContact O-CG2 3.3Å; D60-V64 PolarHBondContact O-N 3.02Å; D60-V64 VanDerWaalsContact O-N 3.12Å; N61-V64 PolarHBondContact O-N 3.41Å; V64-A67 PolarHBondContact O-N 3.45Å; V64-S68 PolarHBondContact O-N 3.42Å; V64-I80 HydrophobicContact CG2-CD1 3.98Å; V64-I80 HydrophobicContact CG2-CG1 4.1Å
65	E	98.4	Very high	95.4	Very high	89 Å²	89	67.9 Å²	67.9	42%	0.416	33%	0.329	S	S	.	.	H	α-helix	trans	-61.4	-48.7	179.3	-179.4	173.2	166.2	0	0	111.5	N61 E62 S68 K69	N61-E65 WeakPolarHBondContact O-CB 3.18Å; N61-E65 PolarHBondContact O-N 2.98Å; E62-E65 PolarHBondContact O-N 3.16Å; E65-S68 WeakPolarHBondContact O-CB 3.41Å; E65-S68 PolarHBondContact O-N 3.25Å; E65-S68 PolarHBondContact O-OG 2.69Å; E65-K69 WeakPolarHBondContact O-CG 3.28Å; E65-K69 PolarHBondContact O-N 2.79Å; E65-K69 WeakPolarHBondContact OE1-CE 3.37Å; E65-K69 IonicContact OE1-NZ 3.66Å; E65-K69 PolarHBondContact OE1-NZ 3.32Å
66	R	98.6	Very high	95.1	Very high	65 Å²	65	69 Å²	69	25%	0.245	33%	0.334	C	S	.	.	H	α-helix	trans	-66.7	-41.2	-179.8	-68.5	168.1	-171.9	-97.1	-9.3	112	I34 A37 E41 E62 I63 S68 K69	I34-R66 HydrophobicContact CG1-CB 4.03Å; I34-R66 HydrophobicContact CG2-CB 4.07Å; A37-R66 VanDerWaalsContact CB-NH1 3.33Å; E41-R66 IonicContact OE1-CZ 3.61Å; E41-R66 IonicContact OE1-NH1 3.66Å; E41-R66 IonicContact OE1-NH2 2.64Å; E41-R66 PolarHBondContact OE1-NH2 3.23Å; E41-R66 IonicContact OE2-CZ 3.71Å; E41-R66 IonicContact OE2-NH2 3.5Å; E41-R66 PolarHBondContact OE2-NH2 2.73Å; E41-R66 VanDerWaalsContact OE2-NH2 3.08Å; E62-R66 VanDerWaalsContact O-CB 3.31Å; E62-R66 WeakPolarHBondContact O-CB 3.48Å; E62-R66 WeakPolarHBondContact O-CD 3.15Å; E62-R66 WeakPolarHBondContact O-CG 3.47Å; E62-R66 PolarHBondContact O-N 2.74Å; E62-R66 IonicContact OE2-CZ 2.61Å; E62-R66 IonicContact OE2-NE 3.43Å; E62-R66 PolarHBondContact OE2-NE 3.26Å; E62-R66 IonicContact OE2-NH2 2.69Å; E62-R66 PolarHBondContact OE2-NH2 3.17Å; I63-R66 PolarHBondContact O-N 3.14Å; R66-S68 VanDerWaalsContact C-N 3.26Å; R66-S68 PolarHBondContact O-N 2.87Å; R66-K69 WeakPolarHBondContact O-CB 3.28Å; R66-K69 PolarHBondContact O-N 2.58Å; R66-K69 VanDerWaalsContact O-N 3.07Å
67	A	97.8	Very high	94.8	Very high	2 Å²	2	74.7 Å²	74.7	2%	0.017	36%	0.359	C	S	.	.	H	α-helix	trans	-59.7	-37.7	174.6	0	0	0	0	0	111.8	I34 I63 V64 K69 I70 K78	I34-A67 HydrophobicContact CD1-CB 4.02Å; I63-A67 WeakPolarHBondContact O-CB 3.36Å; I63-A67 PolarHBondContact O-N 2.86Å; V64-A67 PolarHBondContact O-N 3.45Å; A67-K69 PolarHBondContact O-N 3.29Å; A67-I70 WeakPolarHBondContact O-CG1 3.49Å; A67-I70 PolarHBondContact O-N 2.98Å; A67-K78 HydrophobicContact CB-CB 4.36Å; A67-K78 HydrophobicContact CB-CG 4.15Å; A67-K78 WeakPolarHBondContact O-CD 3.44Å; A67-K78 WeakPolarHBondContact O-CE 3.06Å
68	S	96.3	Very high	94.8	Very high	67 Å²	67	75.7 Å²	75.7	47%	0.469	36%	0.361	S	S	.	.	H	α-helix	trans	-62.7	-26.3	176.9	84.5	0	0	0	0	113.3	V64 E65 R66	V64-S68 PolarHBondContact O-N 3.42Å; E65-S68 WeakPolarHBondContact O-CB 3.41Å; E65-S68 PolarHBondContact O-N 3.25Å; E65-S68 PolarHBondContact O-OG 2.69Å; R66-S68 VanDerWaalsContact C-N 3.26Å; R66-S68 PolarHBondContact O-N 2.87Å
69	K	96.6	Very high	94.7	Very high	110 Å²	110	73.6 Å²	73.6	48%	0.478	35%	0.353	S	S	.	.	H	α-helix	trans	-82.7	-19.5	-174.8	-67.7	170.1	-175.4	170.9	0	113.7	E65 R66 A67 K72	E65-K69 WeakPolarHBondContact O-CG 3.28Å; E65-K69 PolarHBondContact O-N 2.79Å; E65-K69 WeakPolarHBondContact OE1-CE 3.37Å; E65-K69 IonicContact OE1-NZ 3.66Å; E65-K69 PolarHBondContact OE1-NZ 3.32Å; R66-K69 WeakPolarHBondContact O-CB 3.28Å; R66-K69 PolarHBondContact O-N 2.58Å; R66-K69 VanDerWaalsContact O-N 3.07Å; A67-K69 PolarHBondContact O-N 3.29Å; K69-K72 VanDerWaalsContact O-CE 3.23Å; K69-K72 WeakPolarHBondContact O-CE 3.47Å
70	I	96.1	Very high	94.7	Very high	50 Å²	50	74.2 Å²	74.2	26%	0.256	36%	0.356	S	S	.	.	S	Bend	trans	-101.6	155.2	-177.9	60.4	168.7	0	0	0	112.2	A30 I34 A67 K72 K78 V120	A30-I70 HydrophobicContact CB-CD1 4.13Å; I34-I70 HydrophobicContact CD1-CD1 3.66Å; I34-I70 HydrophobicContact CD1-CG1 4.48Å; A67-I70 WeakPolarHBondContact O-CG1 3.49Å; A67-I70 PolarHBondContact O-N 2.98Å; I70-K72 VanDerWaalsContact C-N 3.28Å; I70-K72 PolarHBondContact O-N 3.16Å; I70-K72 VanDerWaalsContact O-N 3.14Å; I70-K78 PolarHBondContact O-NZ 3.09Å; I70-V120 HydrophobicContact CD1-CG2 3.66Å
71	F	92	Very high	94.7	Very high	61 Å²	61	73.9 Å²	73.9	27%	0.268	36%	0.355	S	S	.	.	S	Bend	trans	50.3	37.6	178	-57.7	-81.4	0	0	0	115.5	A30 K73 K74 M76 V120	A30-F71 HydrophobicContact CB-CE2 3.74Å; A30-F71 HydrophobicContact CB-CZ 4.23Å; F71-K73 PolarHBondContact O-N 3.37Å; F71-K73 VanDerWaalsContact O-N 3.14Å; F71-K74 PolarHBondContact O-N 3.48Å; F71-M76 HydrophobicContact CB-CE 3.35Å; F71-M76 HydrophobicContact CD1-CE 3.96Å; F71-M76 HydrophobicContact CD2-CE 3.93Å; F71-M76 HydrophobicContact CG-CE 3.48Å; F71-M76 VanDerWaalsContact CG-CE 3.48Å; F71-V120 HydrophobicContact CD2-CG1 3.63Å; F71-V120 HydrophobicContact CE2-CG1 3.57Å; F71-V120 HydrophobicContact CG-CG1 4.49Å; F71-V120 HydrophobicContact CZ-CG1 4.37Å
72	K	89	Confident	94.7	Very high	159 Å²	159	69.5 Å²	69.5	69%	0.691	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.7	-174.3	-63.7	-175.5	179.2	-176.9	0	115.6	K69 I70	K69-K72 VanDerWaalsContact O-CE 3.23Å; K69-K72 WeakPolarHBondContact O-CE 3.47Å; I70-K72 VanDerWaalsContact C-N 3.28Å; I70-K72 PolarHBondContact O-N 3.16Å; I70-K72 VanDerWaalsContact O-N 3.14Å
73	K	85.5	Confident	94.7	Very high	214 Å²	214	67.9 Å²	67.9	93%	0.93	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	3.1	-177.4	-61.8	-173.8	179.9	-177.9	0	114	F71	F71-K73 PolarHBondContact O-N 3.37Å; F71-K73 VanDerWaalsContact O-N 3.14Å
74	K	80.1	Confident	94.7	Very high	125 Å²	125	67.9 Å²	67.9	54%	0.543	32%	0.323	S	S	.	.	S	Bend	trans	-120.3	130.1	-179.2	-64.4	-170.7	176.6	-171.7	0	108.9	F71 M76	F71-K74 PolarHBondContact O-N 3.48Å; K74-M76 PolarHBondContact O-N 3.29Å
75	D	86.6	Confident	94.7	Very high	179 Å²	179	64.1 Å²	64.1	96%	0.957	30%	0.301	S	S	*	.			trans	-73.9	109.2	170	-171.7	18.4	0	0	0	108.6
76	M	91.5	Very high	94.8	Very high	23 Å²	23	59.9 Å²	59.9	11%	0.113	28%	0.281	C	S	.	.			trans	-163.3	133.4	-167.5	-179.7	168.1	60.5	0	0	110.9	F71 K74 V120 D121	F71-M76 HydrophobicContact CB-CE 3.35Å; F71-M76 HydrophobicContact CD1-CE 3.96Å; F71-M76 HydrophobicContact CD2-CE 3.93Å; F71-M76 HydrophobicContact CG-CE 3.48Å; F71-M76 VanDerWaalsContact CG-CE 3.48Å; K74-M76 PolarHBondContact O-N 3.29Å; M76-V120 HydrophobicContact CE-CG1 3.8Å; M76-V120 HydrophobicContact SD-CG1 4.29Å; M76-D121 HydrophobicContact CG-CB 3.59Å; M76-D121 HydrophobicContact SD-CB 3.25Å; M76-D121 WeakPolarHBondContact SD-CB 3.45Å
77	K	94	Very high	94.8	Very high	121 Å²	121	56.9 Å²	56.9	53%	0.526	27%	0.27	S	S	.	.			trans	-71	130.8	175.9	-67.3	-172.2	178.5	-173.6	0	110.8	D121 F200	K77-D121 VanDerWaalsContact O-CA 3.31Å; K77-D121 WeakPolarHBondContact O-CA 3.49Å; K77-D121 PolarHBondContact O-N 3.3Å; K77-F200 HydrophobicContact CB-CE1 3.99Å; K77-F200 HydrophobicContact CD-CE1 4.34Å
78	K	96.6	Very high	94.8	Very high	56 Å²	56	57.5 Å²	57.5	24%	0.243	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	149.8	-179.3	62.2	-161.5	177.6	-167.6	0	109.8	A67 I70 H119	A67-K78 HydrophobicContact CB-CB 4.36Å; A67-K78 HydrophobicContact CB-CG 4.15Å; A67-K78 WeakPolarHBondContact O-CD 3.44Å; A67-K78 WeakPolarHBondContact O-CE 3.06Å; I70-K78 PolarHBondContact O-NZ 3.09Å; K78-H119 VanDerWaalsContact CA-O 3.25Å; K78-H119 WeakPolarHBondContact CA-O 3.28Å
79	G	97.8	Very high	94.9	Very high	6 Å²	6	56.4 Å²	56.4	6%	0.062	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.9	-146	-177.7	0	0	0	0	0	111.6	A81 A118 H119	G79-A81 PolarHBondContact O-N 3.19Å; G79-A118 CarbonylContact O-C 3.5Å; G79-A118 WeakPolarHBondContact O-CA 3.22Å; G79-H119 PolarHBondContact N-O 3.44Å; G79-H119 VanDerWaalsContact N-O 3.08Å; G79-H119 PolarHBondContact O-CD2 3.19Å; G79-H119 PolarHBondContact O-N 2.85Å
80	I	98.6	Very high	95	Very high	13 Å²	13	53.8 Å²	53.8	7%	0.067	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	127.1	-178.6	-63	172.9	0	0	0	110.1	D60 I63 V64 F82 P83 H119	D60-I80 HydrophobicContact CB-CD1 3.75Å; I63-I80 HydrophobicContact CB-CG1 4.09Å; I63-I80 HydrophobicContact CD1-CG1 4.34Å; I63-I80 HydrophobicContact CG2-CB 4.49Å; I63-I80 HydrophobicContact CG2-CG1 3.72Å; V64-I80 HydrophobicContact CG2-CD1 3.98Å; V64-I80 HydrophobicContact CG2-CG1 4.1Å; I80-F82 WeakPolarHBondContact CG2-O 3.34Å; I80-P83 HydrophobicContact CG2-CB 4.44Å; I80-H119 PolarHBondContact O-CD2 3.07Å
81	A	98.7	Very high	95.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-29.4	167.2	0	0	0	0	0	112	G79 A117 H119 I124 M283 G284	G79-A81 PolarHBondContact O-N 3.19Å; A81-A117 HydrophobicContact CB-CB 3.81Å; A81-A117 PolarHBondContact N-O 3.23Å; A81-H119 HydrophobicContact CB-CB 4.07Å; A81-I124 HydrophobicContact CB-CG1 4.1Å; A81-I124 HydrophobicContact CB-CG2 3.92Å; A81-M283 HydrophobicContact CB-SD 3.63Å; A81-G284 WeakPolarHBondContact O-CA 3.48Å; A81-G284 PolarHBondContact O-N 2.96Å
82	F	98.8	Very high	95.4	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	130.2	171.5	-164.2	-99.4	0	0	0	108	I80 H94 E115 A117 I202 V253 F312	I80-F82 WeakPolarHBondContact CG2-O 3.34Å; F82-H94 AromaticContact CZ-CD2 3.78Å; F82-E115 HydrophobicContact CD1-CG 4.48Å; F82-A117 HydrophobicContact CB-CB 3.67Å; F82-A117 PolarHBondContact N-O 3.28Å; F82-A117 PolarHBondContact O-N 2.89Å; F82-I202 HydrophobicContact CB-CD1 3.78Å; F82-I202 HydrophobicContact CD2-CD1 4.21Å; F82-I202 HydrophobicContact CG-CD1 4.36Å; F82-V253 HydrophobicContact CE1-CG1 4.37Å; F82-V253 HydrophobicContact CE2-CG1 3.78Å; F82-V253 HydrophobicContact CZ-CG1 3.68Å; F82-F312 AromaticContact CE2-CD1 3.69Å; F82-F312 HydrophobicContact CE2-CD1 3.69Å; F82-F312 HydrophobicContact CE2-CD2 4.12Å; F82-F312 AromaticContact CE2-CE1 3.72Å; F82-F312 HydrophobicContact CE2-CE1 3.72Å; F82-F312 HydrophobicContact CE2-CE2 4.15Å; F82-F312 AromaticContact CE2-CG 3.9Å; F82-F312 HydrophobicContact CE2-CG 3.9Å; F82-F312 AromaticContact CE2-CZ 3.95Å; F82-F312 HydrophobicContact CE2-CZ 3.95Å; F82-F312 HydrophobicContact CZ-CB 4.44Å; F82-F312 AromaticContact CZ-CD1 3.94Å; F82-F312 HydrophobicContact CZ-CD1 3.94Å; F82-F312 HydrophobicContact CZ-CE1 4.36Å; F82-F312 HydrophobicContact CZ-CG 4.13Å
83	P	98.8	Very high	95.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	158	-174.5	31.4	-38.1	0	0	0	111	I80 C85 V253 T286	I80-P83 HydrophobicContact CG2-CB 4.44Å; P83-C85 PolarHBondContact O-N 3.46Å; P83-C85 PolarHBondContact O-SG 2.85Å; P83-C85 VanDerWaalsContact O-SG 3.36Å; P83-V253 HydrophobicContact CG-CB 4.4Å; P83-V253 HydrophobicContact CG-CG1 3.66Å; P83-V253 HydrophobicContact CG-CG2 3.89Å; P83-T286 HydrophobicContact CB-CG2 3.74Å; P83-T286 HydrophobicContact CG-CG2 4.39Å
84	T	98.9	Very high	96.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	120.8	174.7	-50.5	0	0	0	0	109.4	L42 G59 D60 I86 S96 E115 L116	L42-T84 HydrophobicContact CD1-CG2 3.87Å; G59-T84 VanDerWaalsContact C-OG1 3.25Å; G59-T84 WeakPolarHBondContact CA-OG1 3.26Å; D60-T84 PolarHBondContact N-OG1 2.9Å; D60-T84 VanDerWaalsContact OD1-CB 3.3Å; D60-T84 WeakPolarHBondContact OD1-CB 3.42Å; D60-T84 PolarHBondContact OD1-N 3.5Å; D60-T84 PolarHBondContact OD1-OG1 3.33Å; T84-I86 HydrophobicContact CG2-CD1 4.31Å; T84-I86 HydrophobicContact CG2-CG1 4.2Å; T84-S96 WeakPolarHBondContact O-CB 3.42Å; T84-S96 PolarHBondContact O-OG 2.78Å; T84-E115 WeakPolarHBondContact CA-O 3.37Å; T84-L116 HydrophobicContact CG2-CD2 4.49Å
85	C	98.9	Very high	97.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.8	174.2	-60.5	0	0	0	0	108.7	P83 F95 E115	P83-C85 PolarHBondContact O-N 3.46Å; P83-C85 PolarHBondContact O-SG 2.85Å; P83-C85 VanDerWaalsContact O-SG 3.36Å; C85-F95 CarbonylContact C-O 3.47Å; C85-F95 VanDerWaalsContact CA-O 3.29Å; C85-F95 WeakPolarHBondContact CA-O 3.48Å; C85-E115 PolarHBondContact N-O 3.25Å; C85-E115 PolarHBondContact O-N 2.9Å
86	I	98.9	Very high	97.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	104.8	-179.4	-64.2	177.8	0	0	0	108	L42 V52 L55 T84 F95 V112 K113 I114	L42-I86 HydrophobicContact CD2-CD1 4.31Å; V52-I86 HydrophobicContact CG1-CB 3.9Å; V52-I86 HydrophobicContact CG1-CG2 3.96Å; V52-I86 HydrophobicContact CG2-CG2 4.2Å; L55-I86 HydrophobicContact CB-CD1 3.39Å; L55-I86 HydrophobicContact CD1-CD1 4.33Å; L55-I86 HydrophobicContact CG-CD1 4.48Å; T84-I86 HydrophobicContact CG2-CD1 4.31Å; T84-I86 HydrophobicContact CG2-CG1 4.2Å; I86-F95 PolarHBondContact N-O 3.47Å; I86-F95 VanDerWaalsContact O-CD1 3.28Å; I86-F95 WeakPolarHBondContact O-CD1 3.36Å; I86-V112 HydrophobicContact CG2-CG1 3.51Å; I86-K113 CarbonylContact C-O 3.54Å; I86-K113 VanDerWaalsContact CA-O 3.25Å; I86-K113 WeakPolarHBondContact CA-O 3.37Å; I86-I114 HydrophobicContact CG1-CG1 4.31Å
87	S	98.7	Very high	98.2	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.014	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.4	-173.2	-52.5	0	0	0	0	111	C91 C93 H94 F95 K113	S87-C91 VanDerWaalsContact CB-O 3.32Å; S87-C91 WeakPolarHBondContact CB-O 3.34Å; S87-C93 WeakPolarHBondContact OG-CA 3.14Å; S87-H94 PolarHBondContact OG-N 3.49Å; S87-F95 WeakPolarHBondContact OG-CB 3.4Å; S87-F95 PolarHBondContact OG-N 2.93Å; S87-K113 PolarHBondContact N-O 2.76Å; S87-K113 WeakPolarHBondContact O-CB 3.11Å; S87-K113 WeakPolarHBondContact O-CE 3.45Å; S87-K113 PolarHBondContact O-N 2.81Å; S87-K113 PolarHBondContact O-NZ 2.86Å; S87-K113 VanDerWaalsContact O-NZ 3.16Å
88	V	98.7	Very high	98.3	Very high	15 Å²	15	11.6 Å²	11.6	9%	0.091	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.9	-167.4	-170.2	0	0	0	0	111.7	V52 H90 C91 V104 L106 D110 V111 V112	V52-V88 HydrophobicContact CG2-CG2 4.02Å; V88-H90 PolarHBondContact O-N 3.48Å; V88-C91 WeakPolarHBondContact O-CB 3.16Å; V88-C91 PolarHBondContact O-N 2.89Å; V88-V104 HydrophobicContact CG2-CG1 4.1Å; V88-L106 HydrophobicContact CG1-CD2 4.46Å; V88-L106 HydrophobicContact CG2-CD2 3.71Å; V88-D110 HydrophobicContact CG1-CB 3.8Å; V88-V111 CarbonylContact C-O 3.54Å; V88-V111 WeakPolarHBondContact CA-O 3.43Å; V88-V112 HydrophobicContact CG1-CG2 4.47Å; V88-V112 HydrophobicContact CG2-CG2 4.41Å
89	N	98.6	Very high	98.3	Very high	43 Å²	43	13.7 Å²	13.7	23%	0.23	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-118.4	176.9	-59.6	-33.1	0	0	0	112.7	C91 D110 V111 K113 V323	N89-C91 PolarHBondContact O-N 2.99Å; N89-D110 PolarHBondContact ND2-OD1 3.05Å; N89-D110 WeakPolarHBondContact OD1-CA 3.4Å; N89-V111 PolarHBondContact N-O 3.29Å; N89-V111 PolarHBondContact OD1-N 2.88Å; N89-K113 PolarHBondContact O-NZ 3.33Å; N89-V323 PolarHBondContact O-N 3.37Å
90	H	98.1	Very high	98.2	Very high	56 Å²	56	17 Å²	17	26%	0.259	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.4	179.1	65.8	-74	0	0	0	113.8	V88 A92 Y316 E317 R318 D321	V88-H90 PolarHBondContact O-N 3.48Å; H90-A92 PolarHBondContact O-N 3.39Å; H90-A92 VanDerWaalsContact O-N 3.16Å; H90-Y316 AromaticContact CD2-CD1 3.56Å; H90-Y316 AromaticContact NE2-CD1 3.77Å; H90-Y316 WeakPolarHBondContact O-CA 3.35Å; H90-E317 HydrophobicContact CB-CB 4.34Å; H90-E317 PolarHBondContact O-N 2.86Å; H90-R318 VanDerWaalsContact CB-O 3.3Å; H90-R318 WeakPolarHBondContact CB-O 3.39Å; H90-D321 WeakPolarHBondContact CA-O 3.32Å; H90-D321 VanDerWaalsContact CB-O 3.3Å; H90-D321 WeakPolarHBondContact CB-O 3.49Å; H90-D321 PolarHBondContact N-O 3.12Å
91	C	98.4	Very high	98	Very high	6 Å²	6	17.9 Å²	17.9	4%	0.041	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	110.4	167.8	-172.3	0	0	0	0	108.6	S87 V88 N89 K113 V314 Y316	S87-C91 VanDerWaalsContact CB-O 3.32Å; S87-C91 WeakPolarHBondContact CB-O 3.34Å; V88-C91 WeakPolarHBondContact O-CB 3.16Å; V88-C91 PolarHBondContact O-N 2.89Å; N89-C91 PolarHBondContact O-N 2.99Å; C91-K113 WeakPolarHBondContact O-CE 3.32Å; C91-K113 PolarHBondContact O-NZ 2.77Å; C91-V314 VanDerWaalsContact SG-CG1 3.55Å; C91-Y316 HydrophobicContact CB-CD1 3.87Å; C91-Y316 HydrophobicContact CB-CE1 3.41Å; C91-Y316 VanDerWaalsContact CB-CE1 3.41Å
92	A	98.3	Very high	97.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-44.1	-169.1	0	0	0	0	0	113.1	H90 K113 M192 A244 L315 V323	H90-A92 PolarHBondContact O-N 3.39Å; H90-A92 VanDerWaalsContact O-N 3.16Å; A92-K113 WeakPolarHBondContact O-CD 3.07Å; A92-K113 WeakPolarHBondContact O-CE 3.42Å; A92-M192 HydrophobicContact CB-CE 4.46Å; A92-A244 HydrophobicContact CB-CB 3.92Å; A92-L315 HydrophobicContact CB-CB 4.25Å; A92-L315 WeakPolarHBondContact CB-O 3.14Å; A92-L315 PolarHBondContact N-O 3.35Å; A92-V323 HydrophobicContact CB-CB 4.33Å; A92-V323 HydrophobicContact CB-CG1 4.09Å; A92-V323 HydrophobicContact CB-CG2 4.05Å
93	C	98.4	Very high	97.7	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.02	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	169.2	-172.3	61.4	0	0	0	0	113.5	S87 F95 Y236	S87-C93 WeakPolarHBondContact OG-CA 3.14Å; C93-F95 PolarHBondContact O-N 2.9Å; C93-Y236 HydrophobicContact CB-CE1 3.93Å
94	H	98.4	Very high	97.7	Very high	26 Å²	26	28.3 Å²	28.3	12%	0.12	16%	0.159	C	C	.	.			trans	60.6	11.9	168.1	-45.8	141.9	0	0	0	117	F82 S87 S96 F312 H313	F82-H94 AromaticContact CZ-CD2 3.78Å; S87-H94 PolarHBondContact OG-N 3.49Å; H94-S96 PolarHBondContact O-N 2.98Å; H94-F312 HydrophobicContact CB-CB 4.32Å; H94-F312 WeakPolarHBondContact CB-O 3.11Å; H94-F312 AromaticContact NE2-CD1 3.9Å; H94-H313 PolarHBondContact ND1-O 2.9Å
95	F	98.5	Very high	97.7	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.035	18%	0.184	C	C	.	.			trans	-69	108.2	173.9	-170	-103.4	0	0	0	110.5	V52 C85 I86 S87 C93 P97 V104 V314	V52-F95 HydrophobicContact CB-CE1 4.48Å; V52-F95 HydrophobicContact CG1-CD1 3.73Å; V52-F95 HydrophobicContact CG1-CE1 3.68Å; C85-F95 CarbonylContact C-O 3.47Å; C85-F95 VanDerWaalsContact CA-O 3.29Å; C85-F95 WeakPolarHBondContact CA-O 3.48Å; I86-F95 PolarHBondContact N-O 3.47Å; I86-F95 VanDerWaalsContact O-CD1 3.28Å; I86-F95 WeakPolarHBondContact O-CD1 3.36Å; S87-F95 WeakPolarHBondContact OG-CB 3.4Å; S87-F95 PolarHBondContact OG-N 2.93Å; C93-F95 PolarHBondContact O-N 2.9Å; F95-P97 HydrophobicContact CD1-CG 4.22Å; F95-P97 HydrophobicContact CE1-CB 4.1Å; F95-P97 HydrophobicContact CE1-CG 3.57Å; F95-P97 HydrophobicContact CE2-CB 4.4Å; F95-P97 HydrophobicContact CZ-CB 3.85Å; F95-P97 HydrophobicContact CZ-CG 3.86Å; F95-V104 HydrophobicContact CE1-CB 4.32Å; F95-V104 HydrophobicContact CE1-CG2 3.79Å; F95-V104 HydrophobicContact CZ-CG2 3.7Å; F95-V314 HydrophobicContact CB-CG1 4.2Å; F95-V314 HydrophobicContact CD2-CG1 4.12Å; F95-V314 HydrophobicContact CD2-CG2 4.44Å
96	S	98.5	Very high	97.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	18%	0.184	C	C	.	.			trans	-139.8	76.9	176.7	-162	0	0	0	0	108.9	T84 H94 T252 R288	T84-S96 WeakPolarHBondContact O-CB 3.42Å; T84-S96 PolarHBondContact O-OG 2.78Å; H94-S96 PolarHBondContact O-N 2.98Å; S96-T252 VanDerWaalsContact O-CB 3.31Å; S96-T252 WeakPolarHBondContact O-CB 2.83Å; S96-T252 PolarHBondContact O-OG1 2.67Å; S96-R288 PolarHBondContact OG-NH1 3.44Å; S96-R288 PolarHBondContact OG-NH2 2.84Å
97	P	97.3	Very high	97.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	20%	0.202	C	C	.	.			trans	-68.6	155.5	-164.6	28.8	-36.4	0	0	0	112.6	K53 F95 E101 R288	K53-P97 HydrophobicContact CB-CG 4.13Å; F95-P97 HydrophobicContact CD1-CG 4.22Å; F95-P97 HydrophobicContact CE1-CB 4.1Å; F95-P97 HydrophobicContact CE1-CG 3.57Å; F95-P97 HydrophobicContact CE2-CB 4.4Å; F95-P97 HydrophobicContact CZ-CB 3.85Å; F95-P97 HydrophobicContact CZ-CG 3.86Å; P97-E101 HydrophobicContact CB-CB 4.49Å; P97-R288 PolarHBondContact O-NH1 2.84Å
98	L	97.5	Very high	97.6	Very high	1 Å²	1	37 Å²	37	1%	0.005	22%	0.222	C	C	.	.			trans	-77.2	162.4	170.5	-65.3	-178.8	0	0	0	111.9	K53 S100 E101 T252 L287 R288 K297	K53-L98 WeakPolarHBondContact CE-O 3.22Å; L98-S100 VanDerWaalsContact C-N 3.28Å; L98-S100 PolarHBondContact O-N 2.84Å; L98-E101 HydrophobicContact CB-CB 4.47Å; L98-E101 HydrophobicContact CB-CG 3.99Å; L98-E101 PolarHBondContact N-OE2 3.17Å; L98-E101 PolarHBondContact O-N 2.79Å; L98-T252 HydrophobicContact CD1-CG2 4.43Å; L98-T252 HydrophobicContact CD2-CG2 4.39Å; L98-T252 HydrophobicContact CG-CG2 3.87Å; L98-L287 HydrophobicContact CD2-CB 3.75Å; L98-R288 HydrophobicContact CD2-CB 4.04Å; L98-R288 VanDerWaalsContact CD2-N 3.32Å; L98-K297 HydrophobicContact CD1-CD 4.31Å; L98-K297 HydrophobicContact CD1-CG 4.32Å
99	Q	95.2	Very high	97.5	Very high	100 Å²	100	38.4 Å²	38.4	47%	0.467	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-35.9	175.9	-60.2	-62.2	-32.7	0	0	111.8	K53 T57 E101 E293	K53-Q99 PolarHBondContact NZ-O 3.02Å; T57-Q99 PolarHBondContact OG1-NE2 2.96Å; Q99-E101 VanDerWaalsContact C-N 3.27Å; Q99-E101 PolarHBondContact O-N 3.47Å; Q99-E293 WeakPolarHBondContact CA-OE1 3.3Å; Q99-E293 VanDerWaalsContact CB-OE1 3.26Å; Q99-E293 WeakPolarHBondContact CB-OE1 3.11Å; Q99-E293 PolarHBondContact N-OE1 3.23Å
100	S	95.4	Very high	97.5	Very high	75 Å²	75	37.5 Å²	37.5	52%	0.524	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-8.7	176.5	56.7	0	0	0	0	115.5	L98 E293 K297	L98-S100 VanDerWaalsContact C-N 3.28Å; L98-S100 PolarHBondContact O-N 2.84Å; S100-E293 WeakPolarHBondContact CB-OE2 3.49Å; S100-E293 PolarHBondContact N-OE2 3.5Å; S100-E293 PolarHBondContact OG-OE2 3.27Å; S100-K297 PolarHBondContact OG-NZ 3.31Å
101	E	95.2	Very high	97.5	Very high	32 Å²	32	34.9 Å²	34.9	15%	0.15	22%	0.223	C	C	.	.	S	Bend	trans	-90.8	155.3	-177.8	-71	179.1	140.5	0	0	112.3	K53 P97 L98 Q99 D103 R250	K53-E101 WeakPolarHBondContact CE-O 3.42Å; K53-E101 PolarHBondContact NZ-O 3.49Å; P97-E101 HydrophobicContact CB-CB 4.49Å; L98-E101 HydrophobicContact CB-CB 4.47Å; L98-E101 HydrophobicContact CB-CG 3.99Å; L98-E101 PolarHBondContact N-OE2 3.17Å; L98-E101 PolarHBondContact O-N 2.79Å; Q99-E101 VanDerWaalsContact C-N 3.27Å; Q99-E101 PolarHBondContact O-N 3.47Å; E101-D103 PolarHBondContact O-N 3.33Å; E101-R250 WeakPolarHBondContact OE1-CD 3.4Å; E101-R250 WeakPolarHBondContact OE1-CG 3.48Å
102	P	95.6	Very high	97.5	Very high	110 Å²	110	34.6 Å²	34.6	71%	0.714	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-53.2	137.2	171	-24.7	34.7	0	0	0	110.9
103	D	96.6	Very high	97.5	Very high	64 Å²	64	34.9 Å²	34.9	34%	0.342	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-81.9	159.8	177.1	-160.3	8.5	0	0	0	111.1	S51 K53 E101	S51-D103 WeakPolarHBondContact CB-OD2 3.46Å; S51-D103 VanDerWaalsContact OG-CG 3.26Å; S51-D103 PolarHBondContact OG-OD1 3.46Å; S51-D103 PolarHBondContact OG-OD2 2.61Å; K53-D103 WeakPolarHBondContact CB-OD1 3.41Å; K53-D103 PolarHBondContact N-OD1 3.27Å; K53-D103 VanDerWaalsContact N-OD1 3.09Å; E101-D103 PolarHBondContact O-N 3.33Å
104	V	97.7	Very high	97.6	Very high	50 Å²	50	34.7 Å²	34.7	30%	0.303	22%	0.221	S	C	.	.			trans	-112.3	119.9	168.4	175.9	0	0	0	0	106.9	V52 V88 F95	V52-V104 HydrophobicContact CB-CB 4.01Å; V52-V104 WeakPolarHBondContact CB-O 3.12Å; V52-V104 HydrophobicContact CG2-CB 3.85Å; V52-V104 HydrophobicContact CG2-CG1 3.89Å; V52-V104 VanDerWaalsContact CG2-O 3.26Å; V52-V104 WeakPolarHBondContact CG2-O 3.5Å; V52-V104 PolarHBondContact N-O 3.39Å; V88-V104 HydrophobicContact CG2-CG1 4.1Å; F95-V104 HydrophobicContact CE1-CB 4.32Å; F95-V104 HydrophobicContact CE1-CG2 3.79Å; F95-V104 HydrophobicContact CZ-CG2 3.7Å
105	T	98.5	Very high	97.6	Very high	86 Å²	86	33.9 Å²	33.9	53%	0.528	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-94.7	123.6	174.7	-56.6	0	0	0	0	108.8	Q50	Q50-T105 WeakPolarHBondContact O-CA 3.3Å
106	L	98.7	Very high	97.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	22%	0.216	C	C	.	.			trans	-64.8	139.4	177.8	-62.7	-174.2	0	0	0	110.7	C46 S48 G49 Q50 V52 L55 V88 V112 V133	C46-L106 HydrophobicContact CB-CD1 4.1Å; S48-L106 CarbonylContact C-O 3.59Å; S48-L106 WeakPolarHBondContact CA-O 3.18Å; G49-L106 PolarHBondContact N-O 2.83Å; Q50-L106 HydrophobicContact CB-CD1 4.3Å; Q50-L106 PolarHBondContact O-N 3.4Å; V52-L106 HydrophobicContact CG2-CD2 3.52Å; V52-L106 HydrophobicContact CG2-CG 4.02Å; L55-L106 HydrophobicContact CD1-CD1 3.74Å; V88-L106 HydrophobicContact CG1-CD2 4.46Å; V88-L106 HydrophobicContact CG2-CD2 3.71Å; L106-V112 HydrophobicContact CD1-CG2 4.21Å; L106-V112 HydrophobicContact CD2-CG2 3.61Å; L106-V133 HydrophobicContact CB-CG2 4.31Å; L106-V133 HydrophobicContact CD1-CG2 4.23Å
107	A	98.1	Very high	97.6	Very high	45 Å²	45	33.5 Å²	33.5	37%	0.372	22%	0.215	S	C	.	.			trans	-117.5	154.3	172.1	0	0	0	0	0	110.7	G109 D110 V133	A107-G109 PolarHBondContact O-N 2.88Å; A107-D110 PolarHBondContact N-OD2 3.16Å; A107-D110 VanDerWaalsContact O-CB 3.27Å; A107-D110 WeakPolarHBondContact O-CB 3.33Å; A107-D110 PolarHBondContact O-N 2.84Å; A107-D110 VanDerWaalsContact O-N 3.13Å; A107-V133 VanDerWaalsContact O-CB 3.26Å; A107-V133 WeakPolarHBondContact O-CB 3.35Å; A107-V133 WeakPolarHBondContact O-CG1 3.46Å
108	A	97.1	Very high	97.7	Very high	52 Å²	52	33.4 Å²	33.4	43%	0.43	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	135	171.4	0	0	0	0	0	111.1	D110	A108-D110 VanDerWaalsContact C-N 3.34Å
109	G	96.7	Very high	97.7	Very high	45 Å²	45	34 Å²	34	46%	0.464	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	-10.2	-176.6	0	0	0	0	0	115	A107 V133	A107-G109 PolarHBondContact O-N 2.88Å; G109-V133 PolarHBondContact N-O 2.61Å
110	D	98.5	Very high	97.9	Very high	25 Å²	25	29.2 Å²	29.2	13%	0.134	20%	0.195	C	C	.	.			trans	-63.2	138.9	175	-81	-20.4	0	0	0	111.7	V88 N89 A107 A108 V112 V132 V133	V88-D110 HydrophobicContact CG1-CB 3.8Å; N89-D110 PolarHBondContact ND2-OD1 3.05Å; N89-D110 WeakPolarHBondContact OD1-CA 3.4Å; A107-D110 PolarHBondContact N-OD2 3.16Å; A107-D110 VanDerWaalsContact O-CB 3.27Å; A107-D110 WeakPolarHBondContact O-CB 3.33Å; A107-D110 PolarHBondContact O-N 2.84Å; A107-D110 VanDerWaalsContact O-N 3.13Å; A108-D110 VanDerWaalsContact C-N 3.34Å; D110-V112 HydrophobicContact CB-CG2 4.29Å; D110-V132 CarbonylContact O-C 3.6Å; D110-V132 VanDerWaalsContact O-CA 3.32Å; D110-V132 WeakPolarHBondContact O-CA 3.46Å; D110-V133 HydrophobicContact CB-CB 4.38Å; D110-V133 HydrophobicContact CB-CG2 3.96Å; D110-V133 PolarHBondContact O-N 3.49Å
111	V	98.7	Very high	97.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	109.1	171.3	178.5	0	0	0	0	109.1	V88 N89 L131 V132 T145 V322 V324	V88-V111 CarbonylContact C-O 3.54Å; V88-V111 WeakPolarHBondContact CA-O 3.43Å; N89-V111 PolarHBondContact N-O 3.29Å; N89-V111 PolarHBondContact OD1-N 2.88Å; V111-L131 WeakPolarHBondContact CA-O 2.78Å; V111-V132 HydrophobicContact CG2-CG2 4.19Å; V111-T145 HydrophobicContact CG2-CG2 3.48Å; V111-T145 VanDerWaalsContact CG2-CG2 3.48Å; V111-V322 HydrophobicContact CB-CG1 3.82Å; V111-V322 HydrophobicContact CG1-CG1 3.84Å; V111-V322 HydrophobicContact CG2-CG1 3.66Å; V111-V324 HydrophobicContact CG1-CG2 4.14Å
112	V	98.8	Very high	98	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.1	-174.3	178.9	0	0	0	0	109.9	I86 V88 L106 D110 I114 S130 L131 V133	I86-V112 HydrophobicContact CG2-CG1 3.51Å; V88-V112 HydrophobicContact CG1-CG2 4.47Å; V88-V112 HydrophobicContact CG2-CG2 4.41Å; L106-V112 HydrophobicContact CD1-CG2 4.21Å; L106-V112 HydrophobicContact CD2-CG2 3.61Å; D110-V112 HydrophobicContact CB-CG2 4.29Å; V112-I114 HydrophobicContact CG1-CG1 4.22Å; V112-S130 CarbonylContact O-C 3.5Å; V112-S130 VanDerWaalsContact O-CA 3.24Å; V112-S130 WeakPolarHBondContact O-CA 3.3Å; V112-L131 HydrophobicContact CB-CG 4.35Å; V112-L131 PolarHBondContact N-O 3.35Å; V112-L131 PolarHBondContact O-N 2.86Å; V112-V133 HydrophobicContact CG2-CG2 3.49Å; V112-V133 VanDerWaalsContact CG2-CG2 3.49Å
113	K	98.8	Very high	98.1	Very high	5 Å²	5	20 Å²	20	2%	0.022	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	111.2	174.8	-67.8	169.7	-71.2	-60.3	0	109.5	I86 S87 N89 C91 A92 S130 V323 H325	I86-K113 CarbonylContact C-O 3.54Å; I86-K113 VanDerWaalsContact CA-O 3.25Å; I86-K113 WeakPolarHBondContact CA-O 3.37Å; S87-K113 PolarHBondContact N-O 2.76Å; S87-K113 WeakPolarHBondContact O-CB 3.11Å; S87-K113 WeakPolarHBondContact O-CE 3.45Å; S87-K113 PolarHBondContact O-N 2.81Å; S87-K113 PolarHBondContact O-NZ 2.86Å; S87-K113 VanDerWaalsContact O-NZ 3.16Å; N89-K113 PolarHBondContact O-NZ 3.33Å; C91-K113 WeakPolarHBondContact O-CE 3.32Å; C91-K113 PolarHBondContact O-NZ 2.77Å; A92-K113 WeakPolarHBondContact O-CD 3.07Å; A92-K113 WeakPolarHBondContact O-CE 3.42Å; K113-S130 WeakPolarHBondContact CG-OG 3.03Å; K113-V323 HydrophobicContact CD-CB 4.38Å; K113-V323 HydrophobicContact CD-CG1 4.14Å; K113-V323 VanDerWaalsContact CD-O 3.26Å; K113-V323 WeakPolarHBondContact CD-O 3.49Å; K113-V323 WeakPolarHBondContact CE-O 3.44Å; K113-V323 PolarHBondContact NZ-O 2.9Å; K113-H325 HydrophobicContact CB-CB 4.28Å; K113-H325 HydrophobicContact CD-CB 3.69Å; K113-H325 HydrophobicContact CG-CB 3.85Å
114	I	98.9	Very high	98.2	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.2	173.8	-58.9	162.2	0	0	0	108	L39 L42 I43 I86 V112 L116 G128 H129 L131	L39-I114 HydrophobicContact CD1-CB 4.02Å; L39-I114 HydrophobicContact CD1-CD1 4.19Å; L39-I114 HydrophobicContact CD1-CG2 3.74Å; L42-I114 HydrophobicContact CB-CD1 3.93Å; L42-I114 HydrophobicContact CB-CG2 4.41Å; L42-I114 HydrophobicContact CD1-CG2 3.78Å; I43-I114 HydrophobicContact CG1-CD1 3.92Å; I86-I114 HydrophobicContact CG1-CG1 4.31Å; V112-I114 HydrophobicContact CG1-CG1 4.22Å; I114-L116 HydrophobicContact CG2-CD2 3.59Å; I114-G128 CarbonylContact O-C 3.55Å; I114-G128 WeakPolarHBondContact O-CA 3.49Å; I114-H129 PolarHBondContact N-O 3.24Å; I114-H129 PolarHBondContact O-N 3.38Å; I114-L131 HydrophobicContact CD1-CD2 3.69Å
115	E	98.9	Very high	98.3	Very high	9 Å²	9	14.6 Å²	14.6	4%	0.042	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.9	171.5	-177.7	172.5	-173.5	0	0	110.4	F82 T84 C85 V127 Y236 H325 K327	F82-E115 HydrophobicContact CD1-CG 4.48Å; T84-E115 WeakPolarHBondContact CA-O 3.37Å; C85-E115 PolarHBondContact N-O 3.25Å; C85-E115 PolarHBondContact O-N 2.9Å; E115-V127 WeakPolarHBondContact CA-O 3.49Å; E115-Y236 PolarHBondContact OE2-OH 2.93Å; E115-H325 IonicContact OE2-NE2 3.85Å; E115-K327 IonicContact OE1-NZ 3.56Å; E115-K327 PolarHBondContact OE1-NZ 3.46Å
116	L	98.9	Very high	98.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	160.7	174.8	55.9	129.6	0	0	0	111	V35 V38 L42 I63 T84 I114 V127	V35-L116 HydrophobicContact CB-CD1 3.75Å; V35-L116 HydrophobicContact CG1-CD1 3.91Å; V38-L116 HydrophobicContact CB-CD1 4.09Å; V38-L116 HydrophobicContact CG1-CD1 4Å; L42-L116 HydrophobicContact CD1-CD2 3.68Å; I63-L116 HydrophobicContact CD1-CB 4.08Å; I63-L116 HydrophobicContact CD1-CD1 3.69Å; I63-L116 HydrophobicContact CD1-CG 4.5Å; I63-L116 HydrophobicContact CG1-CD1 4.16Å; T84-L116 HydrophobicContact CG2-CD2 4.49Å; I114-L116 HydrophobicContact CG2-CD2 3.59Å; L116-V127 HydrophobicContact CD1-CG1 4.38Å; L116-V127 HydrophobicContact CD2-CG1 4.47Å; L116-V127 HydrophobicContact CG-CG1 4Å; L116-V127 PolarHBondContact N-O 3.04Å; L116-V127 VanDerWaalsContact N-O 3.11Å; L116-V127 PolarHBondContact O-N 2.97Å
117	A	98.9	Very high	98.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	148.7	171.6	0	0	0	0	0	111.8	A81 F82 I124 A125 I202	A81-A117 HydrophobicContact CB-CB 3.81Å; A81-A117 PolarHBondContact N-O 3.23Å; F82-A117 HydrophobicContact CB-CB 3.67Å; F82-A117 PolarHBondContact N-O 3.28Å; F82-A117 PolarHBondContact O-N 2.89Å; A117-I124 HydrophobicContact CB-CG2 4.37Å; A117-A125 VanDerWaalsContact CA-O 3.28Å; A117-A125 WeakPolarHBondContact CA-O 3.46Å; A117-A125 WeakPolarHBondContact CB-O 3.22Å; A117-I202 HydrophobicContact CB-CD1 4.33Å
118	A	98.9	Very high	98.3	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	160.3	171.8	0	0	0	0	0	110.4	I34 V35 I63 G79 I124 A125	I34-A118 HydrophobicContact CB-CB 4.4Å; I34-A118 HydrophobicContact CG2-CB 4.12Å; V35-A118 HydrophobicContact CG1-CB 3.49Å; V35-A118 VanDerWaalsContact CG1-CB 3.49Å; V35-A118 VanDerWaalsContact CG1-N 3.28Å; I63-A118 HydrophobicContact CG2-CB 3.87Å; G79-A118 CarbonylContact O-C 3.5Å; G79-A118 WeakPolarHBondContact O-CA 3.22Å; A118-I124 WeakPolarHBondContact O-CA 3.43Å; A118-A125 PolarHBondContact N-O 2.77Å; A118-A125 PolarHBondContact O-N 3.04Å
119	H	98.6	Very high	98.4	Very high	13 Å²	13	6.7 Å²	6.7	6%	0.06	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	152.3	169.3	74.7	107.8	0	0	0	112.2	K78 G79 I80 A81 G122 F123 I124 M283	K78-H119 VanDerWaalsContact CA-O 3.25Å; K78-H119 WeakPolarHBondContact CA-O 3.28Å; G79-H119 PolarHBondContact N-O 3.44Å; G79-H119 VanDerWaalsContact N-O 3.08Å; G79-H119 PolarHBondContact O-CD2 3.19Å; G79-H119 PolarHBondContact O-N 2.85Å; I80-H119 PolarHBondContact O-CD2 3.07Å; A81-H119 HydrophobicContact CB-CB 4.07Å; H119-G122 VanDerWaalsContact ND1-CA 3.33Å; H119-G122 WeakPolarHBondContact ND1-CA 3.37Å; H119-G122 PolarHBondContact ND1-N 3.42Å; H119-F123 WeakPolarHBondContact CA-O 3.27Å; H119-F123 WeakPolarHBondContact CB-O 3.43Å; H119-I124 HydrophobicContact CB-CG1 3.92Å; H119-M283 HydrophobicContact CB-SD 4.48Å
120	V	97.9	Very high	98.5	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	119.4	167.9	177.7	0	0	0	0	107.5	K27 A30 A31 I70 F71 M76 G122 F123	K27-V120 HydrophobicContact CB-CB 4.39Å; K27-V120 HydrophobicContact CB-CG1 4.34Å; K27-V120 HydrophobicContact CG-CG1 4.21Å; A30-V120 HydrophobicContact CB-CG2 4.27Å; A31-V120 HydrophobicContact CB-CG2 4.14Å; I70-V120 HydrophobicContact CD1-CG2 3.66Å; F71-V120 HydrophobicContact CD2-CG1 3.63Å; F71-V120 HydrophobicContact CE2-CG1 3.57Å; F71-V120 HydrophobicContact CG-CG1 4.49Å; F71-V120 HydrophobicContact CZ-CG1 4.37Å; M76-V120 HydrophobicContact CE-CG1 3.8Å; M76-V120 HydrophobicContact SD-CG1 4.29Å; V120-G122 PolarHBondContact O-N 2.8Å; V120-G122 VanDerWaalsContact O-N 3.13Å; V120-F123 PolarHBondContact N-O 3.18Å; V120-F123 WeakPolarHBondContact O-CB 3.26Å; V120-F123 WeakPolarHBondContact O-CD2 3.44Å; V120-F123 PolarHBondContact O-N 3.01Å
121	D	96.3	Very high	98.5	Very high	23 Å²	23	4.2 Å²	4.2	12%	0.123	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	20.2	-171.9	-147.9	-1.7	0	0	0	115	K27 M76 K77 F123 R199 F200	K27-D121 HydrophobicContact CD-CB 3.84Å; K27-D121 IonicContact NZ-OD2 2.8Å; K27-D121 PolarHBondContact NZ-OD2 3.3Å; M76-D121 HydrophobicContact CG-CB 3.59Å; M76-D121 HydrophobicContact SD-CB 3.25Å; M76-D121 WeakPolarHBondContact SD-CB 3.45Å; K77-D121 VanDerWaalsContact O-CA 3.31Å; K77-D121 WeakPolarHBondContact O-CA 3.49Å; K77-D121 PolarHBondContact O-N 3.3Å; D121-F123 VanDerWaalsContact C-N 3.33Å; D121-F123 HydrophobicContact CB-CD2 3.94Å; D121-F123 HydrophobicContact CB-CE2 4.15Å; D121-R199 VanDerWaalsContact O-CG 3.23Å; D121-R199 WeakPolarHBondContact O-CG 3.47Å; D121-R199 PolarHBondContact O-NE 2.82Å; D121-R199 IonicContact OD1-CZ 3.83Å; D121-R199 IonicContact OD1-NE 3.01Å; D121-R199 IonicContact OD1-NH2 2.59Å; D121-R199 PolarHBondContact OD1-NH2 3.11Å; D121-R199 IonicContact OD2-CZ 2.69Å; D121-R199 IonicContact OD2-NH2 2.96Å; D121-R199 PolarHBondContact OD2-NH2 2.98Å; D121-F200 WeakPolarHBondContact O-CE2 3.34Å; D121-F200 WeakPolarHBondContact O-CZ 3.47Å
122	G	96.8	Very high	98.5	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-4	-174.5	0	0	0	0	0	114.5	H119 V120 R199 F200	H119-G122 VanDerWaalsContact ND1-CA 3.33Å; H119-G122 WeakPolarHBondContact ND1-CA 3.37Å; H119-G122 PolarHBondContact ND1-N 3.42Å; V120-G122 PolarHBondContact O-N 2.8Å; V120-G122 VanDerWaalsContact O-N 3.13Å; G122-R199 WeakPolarHBondContact O-CA 3.34Å; G122-F200 PolarHBondContact O-N 3.41Å; G122-F200 VanDerWaalsContact O-N 3.07Å
123	F	98.2	Very high	98.4	Very high	1 Å²	1	5.4 Å²	5.4	0%	0.004	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	120.5	169.6	-60.9	-77	0	0	0	109.7	D17 V24 K27 H28 H119 V120 D121 R199	D17-F123 HydrophobicContact CB-CE1 3.96Å; D17-F123 HydrophobicContact CB-CZ 3.85Å; V24-F123 HydrophobicContact CB-CE1 4.23Å; V24-F123 HydrophobicContact CB-CZ 4.4Å; V24-F123 HydrophobicContact CG1-CD1 3.55Å; V24-F123 HydrophobicContact CG1-CE1 3.32Å; V24-F123 HydrophobicContact CG1-CG 4.32Å; V24-F123 HydrophobicContact CG1-CZ 3.95Å; V24-F123 HydrophobicContact CG2-CE1 4.01Å; V24-F123 HydrophobicContact CG2-CZ 3.81Å; K27-F123 HydrophobicContact CB-CB 4Å; K27-F123 HydrophobicContact CB-CD2 3.75Å; K27-F123 HydrophobicContact CB-CG 4.12Å; K27-F123 HydrophobicContact CD-CD2 3.39Å; K27-F123 HydrophobicContact CD-CE2 3.54Å; K27-F123 HydrophobicContact CD-CG 4.48Å; K27-F123 HydrophobicContact CG-CD2 4.23Å; H28-F123 AromaticContact CD2-CD1 3.96Å; H28-F123 AromaticContact NE2-CD1 3.49Å; H28-F123 WeakPolarHBondContact NE2-CD1 3.05Å; H119-F123 WeakPolarHBondContact CA-O 3.27Å; H119-F123 WeakPolarHBondContact CB-O 3.43Å; V120-F123 PolarHBondContact N-O 3.18Å; V120-F123 WeakPolarHBondContact O-CB 3.26Å; V120-F123 WeakPolarHBondContact O-CD2 3.44Å; V120-F123 PolarHBondContact O-N 3.01Å; D121-F123 VanDerWaalsContact C-N 3.33Å; D121-F123 HydrophobicContact CB-CD2 3.94Å; D121-F123 HydrophobicContact CB-CE2 4.15Å; F123-R199 HydrophobicContact CD1-CB 4.26Å; F123-R199 HydrophobicContact CD1-CG 4.5Å; F123-R199 HydrophobicContact CD2-CG 4.43Å; F123-R199 HydrophobicContact CE1-CB 3.89Å; F123-R199 HydrophobicContact CE1-CG 4.19Å; F123-R199 HydrophobicContact CE2-CG 4.11Å; F123-R199 HydrophobicContact CZ-CB 4.14Å; F123-R199 HydrophobicContact CZ-CG 4Å
124	I	98.7	Very high	98.2	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	143.2	-163	-63.3	155.2	0	0	0	111	H28 A81 A117 A118 H119 L197 I202 M283	H28-I124 PolarHBondContact CE1-N 2.98Å; H28-I124 PolarHBondContact CE1-O 3.16Å; H28-I124 PolarHBondContact ND1-O 2.91Å; A81-I124 HydrophobicContact CB-CG1 4.1Å; A81-I124 HydrophobicContact CB-CG2 3.92Å; A117-I124 HydrophobicContact CB-CG2 4.37Å; A118-I124 WeakPolarHBondContact O-CA 3.43Å; H119-I124 HydrophobicContact CB-CG1 3.92Å; I124-L197 HydrophobicContact CB-CD1 4.1Å; I124-L197 HydrophobicContact CG2-CD1 4.08Å; I124-L197 HydrophobicContact CG2-CD2 4.36Å; I124-I202 HydrophobicContact CD1-CB 3.91Å; I124-I202 HydrophobicContact CD1-CG1 4.42Å; I124-I202 HydrophobicContact CG2-CG1 4.49Å; I124-M283 HydrophobicContact CD1-CE 3.95Å; I124-M283 HydrophobicContact CD1-SD 4.04Å; I124-M283 HydrophobicContact CG1-CE 4.15Å; I124-M283 HydrophobicContact CG1-SD 4.14Å
125	A	98.9	Very high	97.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123.5	160.4	0	0	0	0	0	108.6	A31 A32 V35 A117 A118 T341	A31-A125 HydrophobicContact CB-CB 3.72Å; A32-A125 VanDerWaalsContact CA-CB 3.48Å; A32-A125 HydrophobicContact CB-CB 3.8Å; A32-A125 VanDerWaalsContact N-CB 3.3Å; V35-A125 HydrophobicContact CG2-CB 4.27Å; A117-A125 VanDerWaalsContact CA-O 3.28Å; A117-A125 WeakPolarHBondContact CA-O 3.46Å; A117-A125 WeakPolarHBondContact CB-O 3.22Å; A118-A125 PolarHBondContact N-O 2.77Å; A118-A125 PolarHBondContact O-N 3.04Å; A125-T341 HydrophobicContact CB-CG2 3.76Å
126	S	98.9	Very high	97.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.5	178.1	179.4	0	0	0	0	110.3	K327 T329 T341	S126-K327 VanDerWaalsContact OG-CE 3.23Å; S126-K327 WeakPolarHBondContact OG-CE 3.46Å; S126-T329 PolarHBondContact N-OG1 3.05Å; S126-T329 PolarHBondContact O-N 2.84Å; S126-T329 PolarHBondContact O-OG1 3.18Å; S126-T341 PolarHBondContact O-OG1 3.47Å
127	V	98.9	Very high	96.1	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.9	179.4	73.4	0	0	0	0	110.6	V35 L39 E115 L116 T341	V35-V127 HydrophobicContact CB-CG1 3.9Å; V35-V127 HydrophobicContact CG2-CB 4.22Å; V35-V127 HydrophobicContact CG2-CG1 3.99Å; L39-V127 HydrophobicContact CB-CG1 4.24Å; L39-V127 HydrophobicContact CD2-CB 4.4Å; L39-V127 HydrophobicContact CD2-CG1 4.01Å; L39-V127 HydrophobicContact CD2-CG2 3.51Å; E115-V127 WeakPolarHBondContact CA-O 3.49Å; L116-V127 HydrophobicContact CD1-CG1 4.38Å; L116-V127 HydrophobicContact CD2-CG1 4.47Å; L116-V127 HydrophobicContact CG-CG1 4Å; L116-V127 PolarHBondContact N-O 3.04Å; L116-V127 VanDerWaalsContact N-O 3.11Å; L116-V127 PolarHBondContact O-N 2.97Å; V127-T341 HydrophobicContact CB-CG2 4.47Å
128	G	98.8	Very high	95.1	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	137.1	172.5	0	0	0	0	0	110.2	I114 F326 K327	I114-G128 CarbonylContact O-C 3.55Å; I114-G128 WeakPolarHBondContact O-CA 3.49Å; G128-F326 WeakPolarHBondContact O-CA 3.35Å; G128-K327 PolarHBondContact N-O 3.1Å; G128-K327 PolarHBondContact O-N 3.39Å
129	H	98.9	Very high	94.4	Very high	16 Å²	16	38.9 Å²	38.9	7%	0.074	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	133.7	-179.3	-160.2	87.2	0	0	0	110.8	L39 I114 H325 F326 V343	L39-H129 HydrophobicContact CD1-CB 3.89Å; L39-H129 HydrophobicContact CD2-CB 4Å; L39-H129 HydrophobicContact CG-CB 4.47Å; I114-H129 PolarHBondContact N-O 3.24Å; I114-H129 PolarHBondContact O-N 3.38Å; H129-H325 CarbonylContact C-O 3.49Å; H129-F326 AromaticContact CE1-CE1 3.69Å; H129-F326 AromaticContact CG-CE1 3.92Å; H129-F326 AromaticContact ND1-CD1 3.76Å; H129-F326 AromaticContact ND1-CE1 3.62Å; H129-V343 VanDerWaalsContact CE1-CG2 3.4Å; H129-V343 WeakPolarHBondContact CE1-CG2 3.31Å
130	S	98.8	Very high	94.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	142.9	170.1	-61	0	0	0	0	110.9	V112 K113 M149 H325	V112-S130 CarbonylContact O-C 3.5Å; V112-S130 VanDerWaalsContact O-CA 3.24Å; V112-S130 WeakPolarHBondContact O-CA 3.3Å; K113-S130 WeakPolarHBondContact CG-OG 3.03Å; S130-M149 WeakPolarHBondContact O-CE 3.36Å; S130-H325 PolarHBondContact N-O 3.5Å; S130-H325 VanDerWaalsContact N-O 3.08Å; S130-H325 PolarHBondContact OG-N 3.36Å; S130-H325 PolarHBondContact OG-O 2.72Å
131	L	98.3	Very high	94.1	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.089	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	160.4	171.7	68	109.7	0	0	0	109.8	I43 C46 V111 V112 I114	I43-L131 HydrophobicContact CB-CD2 4.25Å; I43-L131 HydrophobicContact CG1-CD2 3.8Å; I43-L131 HydrophobicContact CG2-CD2 4.27Å; C46-L131 HydrophobicContact CB-CD1 3.73Å; C46-L131 HydrophobicContact CB-CD2 4.1Å; C46-L131 HydrophobicContact CB-CG 4.49Å; V111-L131 WeakPolarHBondContact CA-O 2.78Å; V112-L131 HydrophobicContact CB-CG 4.35Å; V112-L131 PolarHBondContact N-O 3.35Å; V112-L131 PolarHBondContact O-N 2.86Å; I114-L131 HydrophobicContact CD1-CD2 3.69Å
132	V	98.1	Very high	94.1	Very high	25 Å²	25	48.1 Å²	48.1	15%	0.152	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.2	167.8	-178.6	0	0	0	0	108	D110 V111 I141 T145 Y350	D110-V132 CarbonylContact O-C 3.6Å; D110-V132 VanDerWaalsContact O-CA 3.32Å; D110-V132 WeakPolarHBondContact O-CA 3.46Å; V111-V132 HydrophobicContact CG2-CG2 4.19Å; V132-I141 HydrophobicContact CB-CD1 3.66Å; V132-I141 HydrophobicContact CB-CG1 4.26Å; V132-I141 HydrophobicContact CG1-CD1 4.21Å; V132-I141 HydrophobicContact CG1-CG1 4.3Å; V132-I141 HydrophobicContact CG2-CD1 3.65Å; V132-I141 HydrophobicContact CG2-CG1 4.19Å; V132-I141 HydrophobicContact CG2-CG2 4.26Å; V132-T145 HydrophobicContact CG2-CG2 3.72Å; V132-Y350 HydrophobicContact CG2-CE1 4.15Å
133	V	97.9	Very high	94.1	Very high	1 Å²	1	50 Å²	50	1%	0.006	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-60.3	124	177.6	176.9	0	0	0	0	108.2	L106 A107 G109 D110 V112	L106-V133 HydrophobicContact CB-CG2 4.31Å; L106-V133 HydrophobicContact CD1-CG2 4.23Å; A107-V133 VanDerWaalsContact O-CB 3.26Å; A107-V133 WeakPolarHBondContact O-CB 3.35Å; A107-V133 WeakPolarHBondContact O-CG1 3.46Å; G109-V133 PolarHBondContact N-O 2.61Å; D110-V133 HydrophobicContact CB-CB 4.38Å; D110-V133 HydrophobicContact CB-CG2 3.96Å; D110-V133 PolarHBondContact O-N 3.49Å; V112-V133 HydrophobicContact CG2-CG2 3.49Å; V112-V133 VanDerWaalsContact CG2-CG2 3.49Å
134	P	94.6	Very high	94.1	Very high	61 Å²	61	54.1 Å²	54.1	40%	0.396	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-66.4	145.4	-173.4	28.3	-35.9	0	0	0	111.7
135	G	90	Very high	94.1	Very high	47 Å²	47	55.5 Å²	55.5	49%	0.485	31%	0.312	S	S	.	.			trans	-85.8	-172	167.1	0	0	0	0	0	112.2	E137	G135-E137 VanDerWaalsContact C-N 3.3Å; G135-E137 PolarHBondContact O-N 3.31Å
136	S	83.1	Confident	94	Very high	132 Å²	132	55.5 Å²	55.5	92%	0.923	31%	0.312	S	S	*	.	S	Bend	trans	-71.1	-24.7	177.1	54.5	0	0	0	0	113.8
137	E	79.5	Confident	94	Very high	130 Å²	130	55.9 Å²	55.9	61%	0.607	31%	0.314	S	S	*	.	S	Bend	trans	-113.3	140.7	177.7	-65.2	-175.4	174.5	0	0	110.2	G135 Q139	G135-E137 VanDerWaalsContact C-N 3.3Å; G135-E137 PolarHBondContact O-N 3.31Å; E137-Q139 HydrophobicContact CB-CG 4.07Å; E137-Q139 PolarHBondContact O-N 2.8Å; E137-Q139 PolarHBondContact OE2-NE2 3.03Å
138	E	77.4	Confident	94	Very high	209 Å²	209	55.8 Å²	55.8	98%	0.977	31%	0.313	S	S	*	.			trans	-71	92.6	169.9	-70.4	-173.5	177	0	0	109.3
139	Q	84.5	Confident	94	Very high	138 Å²	138	55.7 Å²	55.7	65%	0.645	31%	0.312	S	S	*	.			trans	-111.8	140.8	174.8	-65.1	-177.1	-4.6	0	0	109.7	E137	E137-Q139 HydrophobicContact CB-CG 4.07Å; E137-Q139 PolarHBondContact O-N 2.8Å; E137-Q139 PolarHBondContact OE2-NE2 3.03Å
140	K	92.3	Very high	94	Very high	114 Å²	114	55.6 Å²	55.6	50%	0.496	31%	0.312	S	S	.	.			trans	-65.1	141.3	169.9	-68	-173.3	-179.4	-173.1	0	109.6	L349 E351	K140-L349 WeakPolarHBondContact CA-O 3.43Å; K140-E351 HydrophobicContact CB-CG 4.36Å; K140-E351 VanDerWaalsContact CD-CD 3.4Å; K140-E351 HydrophobicContact CD-CG 3.78Å; K140-E351 WeakPolarHBondContact CD-OE1 3.38Å; K140-E351 WeakPolarHBondContact CE-OE1 3.36Å; K140-E351 IonicContact NZ-OE1 3.9Å; K140-E351 PolarHBondContact NZ-OE1 3.27Å
141	I	96.7	Very high	94	Very high	36 Å²	36	55.6 Å²	55.6	19%	0.185	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.8	178.2	-62	142.2	0	0	0	107.2	V132 T145 A146 L349 Y350 E351	V132-I141 HydrophobicContact CB-CD1 3.66Å; V132-I141 HydrophobicContact CB-CG1 4.26Å; V132-I141 HydrophobicContact CG1-CD1 4.21Å; V132-I141 HydrophobicContact CG1-CG1 4.3Å; V132-I141 HydrophobicContact CG2-CD1 3.65Å; V132-I141 HydrophobicContact CG2-CG1 4.19Å; V132-I141 HydrophobicContact CG2-CG2 4.26Å; I141-T145 HydrophobicContact CG2-CG2 3.76Å; I141-A146 HydrophobicContact CG2-CB 4.44Å; I141-A146 WeakPolarHBondContact O-CB 3.49Å; I141-L349 PolarHBondContact N-O 2.8Å; I141-Y350 HydrophobicContact CB-CD1 3.82Å; I141-Y350 HydrophobicContact CB-CE1 4.05Å; I141-Y350 HydrophobicContact CD1-CD1 4.02Å; I141-Y350 HydrophobicContact CD1-CE1 3.42Å; I141-Y350 VanDerWaalsContact CD1-CE1 3.42Å; I141-Y350 HydrophobicContact CG1-CE1 4.32Å; I141-Y350 HydrophobicContact CG2-CD1 3.9Å; I141-Y350 HydrophobicContact CG2-CE1 4.1Å; I141-Y350 CarbonylContact O-C 3.49Å; I141-Y350 WeakPolarHBondContact O-CA 3.32Å; I141-E351 PolarHBondContact O-N 3.07Å
142	S	96.7	Very high	94.1	Very high	81 Å²	81	54.8 Å²	54.8	57%	0.566	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	175	179.4	61.9	0	0	0	0	111.6	E351	S142-E351 WeakPolarHBondContact CA-O 3.46Å
143	G	97	Very high	94.1	Very high	40 Å²	40	55 Å²	55	41%	0.412	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	-153.5	178.9	0	0	0	0	0	113.4	T145 A146 D147	G143-T145 VanDerWaalsContact C-N 3.25Å; G143-T145 PolarHBondContact O-N 3.08Å; G143-T145 VanDerWaalsContact O-N 3.14Å; G143-A146 WeakPolarHBondContact O-CA 3.41Å; G143-A146 WeakPolarHBondContact O-CB 3.26Å; G143-A146 PolarHBondContact O-N 3.11Å; G143-D147 PolarHBondContact O-N 3.24Å
144	R	98.1	Very high	94.1	Very high	86 Å²	86	58 Å²	58	33%	0.325	32%	0.319	S	S	.	.	H	α-helix	trans	-57.1	-34.6	-170.1	-62.7	-58.5	-60.2	174	-11.2	114.2	D147 A148 D185 T239	R144-D147 IonicContact NH1-OD2 2.83Å; R144-D147 PolarHBondContact NH1-OD2 3.28Å; R144-D147 WeakPolarHBondContact O-CB 3.34Å; R144-D147 PolarHBondContact O-N 3.2Å; R144-A148 PolarHBondContact O-N 2.91Å; R144-D185 IonicContact CZ-OD2 2.71Å; R144-D185 PolarHBondContact NH1-O 3.19Å; R144-D185 IonicContact NH1-OD2 3.88Å; R144-D185 PolarHBondContact NH1-OD2 3.2Å; R144-D185 PolarHBondContact NH2-O 2.97Å; R144-D185 IonicContact NH2-OD2 3.83Å; R144-T239 HydrophobicContact CB-CG2 3.91Å; R144-T239 PolarHBondContact NH2-O 2.62Å; R144-T239 WeakPolarHBondContact O-CG2 3.5Å
145	T	98.3	Very high	94.3	Very high	29 Å²	29	55.1 Å²	55.1	18%	0.178	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-43.6	174.3	-59.8	0	0	0	0	111.3	V111 V132 I141 G143 D147 A148 M149	V111-T145 HydrophobicContact CG2-CG2 3.48Å; V111-T145 VanDerWaalsContact CG2-CG2 3.48Å; V132-T145 HydrophobicContact CG2-CG2 3.72Å; I141-T145 HydrophobicContact CG2-CG2 3.76Å; G143-T145 VanDerWaalsContact C-N 3.25Å; G143-T145 PolarHBondContact O-N 3.08Å; G143-T145 VanDerWaalsContact O-N 3.14Å; T145-D147 VanDerWaalsContact C-N 3.34Å; T145-A148 PolarHBondContact O-N 2.85Å; T145-M149 HydrophobicContact CG2-CG 4.18Å; T145-M149 VanDerWaalsContact O-CB 3.28Å; T145-M149 WeakPolarHBondContact O-CB 3.38Å; T145-M149 WeakPolarHBondContact O-CG 3.32Å; T145-M149 PolarHBondContact O-N 2.9Å
146	A	98.4	Very high	94.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.4	-40.2	176.2	0	0	0	0	0	111.9	I141 G143 M149 L150 Y350 E351	I141-A146 HydrophobicContact CG2-CB 4.44Å; I141-A146 WeakPolarHBondContact O-CB 3.49Å; G143-A146 WeakPolarHBondContact O-CA 3.41Å; G143-A146 WeakPolarHBondContact O-CB 3.26Å; G143-A146 PolarHBondContact O-N 3.11Å; A146-M149 PolarHBondContact O-N 2.86Å; A146-L150 WeakPolarHBondContact O-CB 3.39Å; A146-L150 WeakPolarHBondContact O-CG 3.19Å; A146-L150 PolarHBondContact O-N 3.44Å; A146-Y350 HydrophobicContact CB-CD1 4.44Å; A146-E351 VanDerWaalsContact CB-O 3.29Å; A146-E351 WeakPolarHBondContact CB-O 3.31Å
147	D	98.7	Very high	95.5	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.043	24%	0.242	C	C	.	.	H	α-helix	trans	-56.3	-54	175.5	-59.3	-25.2	0	0	0	110.9	G143 R144 T145 M149 A151 S352 H354	G143-D147 PolarHBondContact O-N 3.24Å; R144-D147 IonicContact NH1-OD2 2.83Å; R144-D147 PolarHBondContact NH1-OD2 3.28Å; R144-D147 WeakPolarHBondContact O-CB 3.34Å; R144-D147 PolarHBondContact O-N 3.2Å; T145-D147 VanDerWaalsContact C-N 3.34Å; D147-M149 PolarHBondContact O-N 3.16Å; D147-A151 WeakPolarHBondContact O-CB 3.47Å; D147-A151 PolarHBondContact O-N 3.09Å; D147-S352 VanDerWaalsContact OD1-CB 3.22Å; D147-S352 WeakPolarHBondContact OD1-CB 3.37Å; D147-S352 PolarHBondContact OD1-OG 2.92Å; D147-H354 IonicContact OD1-CD2 3.9Å; D147-H354 IonicContact OD2-CD2 3.49Å
148	A	98.8	Very high	96.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-36.4	-179.3	0	0	0	0	0	113	R144 T145 A152 I237 T239 V324	R144-A148 PolarHBondContact O-N 2.91Å; T145-A148 PolarHBondContact O-N 2.85Å; A148-A152 VanDerWaalsContact O-CB 3.28Å; A148-A152 WeakPolarHBondContact O-CB 3.17Å; A148-A152 PolarHBondContact O-N 2.98Å; A148-I237 HydrophobicContact CB-CG2 4.46Å; A148-T239 HydrophobicContact CB-CG2 3.78Å; A148-V324 HydrophobicContact CB-CB 4.33Å; A148-V324 HydrophobicContact CB-CG2 3.62Å
149	M	98.8	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.2	-47.1	178.9	-72.2	-69	-77.5	0	0	112.1	S130 T145 A146 D147 H153 V324 F326 F345 Y350	S130-M149 WeakPolarHBondContact O-CE 3.36Å; T145-M149 HydrophobicContact CG2-CG 4.18Å; T145-M149 VanDerWaalsContact O-CB 3.28Å; T145-M149 WeakPolarHBondContact O-CB 3.38Å; T145-M149 WeakPolarHBondContact O-CG 3.32Å; T145-M149 PolarHBondContact O-N 2.9Å; A146-M149 PolarHBondContact O-N 2.86Å; D147-M149 PolarHBondContact O-N 3.16Å; M149-H153 WeakPolarHBondContact O-CB 3.48Å; M149-H153 PolarHBondContact O-N 2.86Å; M149-V324 HydrophobicContact CG-CG1 4.47Å; M149-V324 HydrophobicContact CG-CG2 3.88Å; M149-V324 HydrophobicContact SD-CB 4.14Å; M149-V324 HydrophobicContact SD-CG1 3.45Å; M149-V324 WeakPolarHBondContact SD-CG1 3.34Å; M149-V324 HydrophobicContact SD-CG2 3.52Å; M149-V324 VanDerWaalsContact SD-CG2 3.52Å; M149-F326 HydrophobicContact CE-CZ 4.02Å; M149-F326 HydrophobicContact SD-CZ 4.36Å; M149-F345 HydrophobicContact CB-CZ 4.13Å; M149-F345 HydrophobicContact CE-CE2 3.56Å; M149-F345 HydrophobicContact CE-CZ 3.99Å; M149-Y350 HydrophobicContact CB-CD1 3.63Å; M149-Y350 HydrophobicContact CB-CE1 3.68Å; M149-Y350 HydrophobicContact CB-CG 4.25Å; M149-Y350 HydrophobicContact CE-CE1 3.61Å; M149-Y350 HydrophobicContact CE-CE2 4.39Å; M149-Y350 VanDerWaalsContact CE-CZ 3.45Å; M149-Y350 WeakPolarHBondContact CE-OH 3.4Å; M149-Y350 HydrophobicContact CG-CD1 3.97Å; M149-Y350 HydrophobicContact CG-CE1 3.58Å; M149-Y350 HydrophobicContact SD-CE1 4.46Å
150	L	98.8	Very high	98.1	Very high	13 Å²	13	25.7 Å²	25.7	7%	0.068	14%	0.136	C	C	.	.	H	α-helix	trans	-67.5	-43	176	-68.4	171.1	0	0	0	111.4	A146 A152 H153 Y154 Y184 T347	A146-L150 WeakPolarHBondContact O-CB 3.39Å; A146-L150 WeakPolarHBondContact O-CG 3.19Å; A146-L150 PolarHBondContact O-N 3.44Å; L150-A152 PolarHBondContact O-N 3.01Å; L150-H153 PolarHBondContact O-N 2.88Å; L150-Y154 HydrophobicContact CB-CD2 4.35Å; L150-Y154 HydrophobicContact CB-CE2 4.23Å; L150-Y154 HydrophobicContact CD2-CE2 4.13Å; L150-Y154 WeakPolarHBondContact O-CD2 3.48Å; L150-Y154 PolarHBondContact O-N 2.88Å; L150-Y184 HydrophobicContact CB-CD1 4.17Å; L150-Y184 HydrophobicContact CB-CE1 3.64Å; L150-Y184 HydrophobicContact CD1-CE1 4.02Å; L150-Y184 HydrophobicContact CG-CE1 4.5Å; L150-T347 HydrophobicContact CD2-CG2 4.23Å
151	A	98.9	Very high	98.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-56.7	-50.8	176.3	0	0	0	0	0	112.3	D147 Y154 A155 Y184 C186 I237	D147-A151 WeakPolarHBondContact O-CB 3.47Å; D147-A151 PolarHBondContact O-N 3.09Å; A151-Y154 PolarHBondContact O-N 2.88Å; A151-A155 WeakPolarHBondContact O-CB 2.86Å; A151-A155 PolarHBondContact O-N 3.47Å; A151-Y184 HydrophobicContact CB-CD2 3.71Å; A151-Y184 HydrophobicContact CB-CG 3.88Å; A151-C186 HydrophobicContact CB-CB 4.45Å; A151-I237 HydrophobicContact CB-CG1 4.48Å; A151-I237 HydrophobicContact CB-CG2 3.93Å
152	A	98.9	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65	-41.4	179.7	0	0	0	0	0	111.5	A148 L150 A155 L156 V235 I237 V324 F326	A148-A152 VanDerWaalsContact O-CB 3.28Å; A148-A152 WeakPolarHBondContact O-CB 3.17Å; A148-A152 PolarHBondContact O-N 2.98Å; L150-A152 PolarHBondContact O-N 3.01Å; A152-A155 PolarHBondContact O-N 2.85Å; A152-L156 WeakPolarHBondContact O-CB 2.99Å; A152-L156 PolarHBondContact O-N 3.01Å; A152-V235 HydrophobicContact CB-CG2 4.3Å; A152-V235 VanDerWaalsContact O-CG2 3.28Å; A152-V235 WeakPolarHBondContact O-CG2 3.47Å; A152-I237 HydrophobicContact CB-CB 4.02Å; A152-I237 HydrophobicContact CB-CG1 3.62Å; A152-V324 HydrophobicContact CB-CB 4.03Å; A152-V324 HydrophobicContact CB-CG1 3.43Å; A152-V324 VanDerWaalsContact CB-CG1 3.43Å; A152-F326 HydrophobicContact CB-CD2 3.63Å; A152-F326 HydrophobicContact CB-CE2 3.97Å
153	H	98.8	Very high	98.5	Very high	30 Å²	30	16.9 Å²	16.9	14%	0.139	9%	0.085	C	C	.	.	H	α-helix	trans	-59	-54.1	176.4	173.3	67	0	0	0	111.7	M149 L150 A155 L156 E157 F326 F345	M149-H153 WeakPolarHBondContact O-CB 3.48Å; M149-H153 PolarHBondContact O-N 2.86Å; L150-H153 PolarHBondContact O-N 2.88Å; H153-A155 VanDerWaalsContact C-N 3.34Å; H153-A155 PolarHBondContact O-N 2.83Å; H153-L156 PolarHBondContact O-N 3.36Å; H153-E157 WeakPolarHBondContact O-CG 3.48Å; H153-E157 PolarHBondContact O-N 3.24Å; H153-F326 HydrophobicContact CB-CE2 4.23Å; H153-F345 HydrophobicContact CB-CD1 3.64Å; H153-F345 HydrophobicContact CB-CE1 3.73Å; H153-F345 HydrophobicContact CB-CG 4.49Å; H153-F345 AromaticContact CD2-CD1 3.92Å; H153-F345 AromaticContact CG-CD1 3.36Å; H153-F345 AromaticContact CG-CE1 3.91Å; H153-F345 AromaticContact ND1-CD1 3.46Å; H153-F345 WeakPolarHBondContact ND1-CD1 3.36Å; H153-F345 AromaticContact ND1-CG 3.91Å
154	Y	98.8	Very high	98.4	Very high	65 Å²	65	16.2 Å²	16.2	26%	0.255	7%	0.07	S	C	.	.	H	α-helix	trans	-68.6	-33.4	-178.8	-67.9	-54.7	0	0	0	112.5	L150 A151 E157 A158 Y184 I356 L365	L150-Y154 HydrophobicContact CB-CD2 4.35Å; L150-Y154 HydrophobicContact CB-CE2 4.23Å; L150-Y154 HydrophobicContact CD2-CE2 4.13Å; L150-Y154 WeakPolarHBondContact O-CD2 3.48Å; L150-Y154 PolarHBondContact O-N 2.88Å; A151-Y154 PolarHBondContact O-N 2.88Å; Y154-E157 PolarHBondContact O-N 2.91Å; Y154-A158 WeakPolarHBondContact O-CB 3.45Å; Y154-A158 PolarHBondContact O-N 2.98Å; Y154-Y184 AromaticContact CD2-CE2 3.99Å; Y154-Y184 HydrophobicContact CD2-CE2 3.99Å; Y154-Y184 AromaticContact CD2-CZ 3.91Å; Y154-Y184 VanDerWaalsContact CD2-OH 3.27Å; Y154-Y184 WeakPolarHBondContact CD2-OH 3.4Å; Y154-Y184 WeakPolarHBondContact CE2-OH 3.45Å; Y154-I356 HydrophobicContact CD2-CD1 4.09Å; Y154-I356 HydrophobicContact CG-CD1 3.97Å; Y154-L365 HydrophobicContact CD1-CD1 4.08Å; Y154-L365 HydrophobicContact CD1-CD2 4.23Å; Y154-L365 HydrophobicContact CG-CD1 4.34Å; Y154-L365 WeakPolarHBondContact O-CD2 3.31Å
155	A	98.9	Very high	98.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.8	-44.1	174.1	0	0	0	0	0	111.1	A151 A152 H153 A158 A159 V177 I180 V235	A151-A155 WeakPolarHBondContact O-CB 2.86Å; A151-A155 PolarHBondContact O-N 3.47Å; A152-A155 PolarHBondContact O-N 2.85Å; H153-A155 VanDerWaalsContact C-N 3.34Å; H153-A155 PolarHBondContact O-N 2.83Å; A155-A158 PolarHBondContact O-N 2.89Å; A155-A159 WeakPolarHBondContact O-CB 3.32Å; A155-A159 PolarHBondContact O-N 2.89Å; A155-V177 HydrophobicContact CB-CG1 4.18Å; A155-V177 HydrophobicContact CB-CG2 4.38Å; A155-I180 HydrophobicContact CB-CB 4.23Å; A155-I180 HydrophobicContact CB-CG2 4.01Å; A155-V235 HydrophobicContact CB-CG1 4.29Å
156	L	98.8	Very high	97.7	Very high	13 Å²	13	19 Å²	19	7%	0.068	10%	0.095	C	C	.	.	H	α-helix	trans	-62.7	-47.9	174.3	-176.3	63.1	0	0	0	111.4	A152 H153 A158 A159 V160 I233 V235 F326 T328	A152-L156 WeakPolarHBondContact O-CB 2.99Å; A152-L156 PolarHBondContact O-N 3.01Å; H153-L156 PolarHBondContact O-N 3.36Å; L156-A158 VanDerWaalsContact C-N 3.29Å; L156-A158 PolarHBondContact O-N 3.17Å; L156-A159 PolarHBondContact O-N 3.42Å; L156-V160 HydrophobicContact CD1-CG2 4.16Å; L156-V160 HydrophobicContact CG-CG2 4.33Å; L156-V160 WeakPolarHBondContact O-CB 3.48Å; L156-V160 VanDerWaalsContact O-CG2 3.25Å; L156-V160 WeakPolarHBondContact O-CG2 3.35Å; L156-V160 PolarHBondContact O-N 2.92Å; L156-I233 HydrophobicContact CD1-CB 4.16Å; L156-I233 HydrophobicContact CD1-CG2 3.66Å; L156-I233 WeakPolarHBondContact CD1-O 3.02Å; L156-V235 HydrophobicContact CB-CG1 4.41Å; L156-V235 HydrophobicContact CB-CG2 3.83Å; L156-V235 HydrophobicContact CD1-CG1 4.42Å; L156-F326 HydrophobicContact CB-CB 4.45Å; L156-F326 HydrophobicContact CD2-CB 3.57Å; L156-T328 HydrophobicContact CD1-CG2 4.06Å; L156-T328 HydrophobicContact CD2-CG2 4.21Å; L156-T328 HydrophobicContact CG-CG2 4.36Å
157	E	98.7	Very high	97.3	Very high	24 Å²	24	20.8 Å²	20.8	11%	0.112	11%	0.112	C	C	.	.	H	α-helix	trans	-60.8	-37.7	-179.2	-74.4	-58.1	125.9	0	0	112.8	H153 Y154 R161 K339 L365	H153-E157 WeakPolarHBondContact O-CG 3.48Å; H153-E157 PolarHBondContact O-N 3.24Å; Y154-E157 PolarHBondContact O-N 2.91Å; E157-R161 WeakPolarHBondContact O-CD 3.46Å; E157-R161 VanDerWaalsContact O-CG 3.31Å; E157-R161 WeakPolarHBondContact O-CG 3.44Å; E157-R161 PolarHBondContact O-N 3.41Å; E157-R161 PolarHBondContact O-NH1 3.22Å; E157-R161 IonicContact OE2-CZ 3.44Å; E157-R161 IonicContact OE2-NH1 3.73Å; E157-R161 PolarHBondContact OE2-NH1 3.03Å; E157-R161 IonicContact OE2-NH2 2.73Å; E157-K339 IonicContact OE1-NZ 3.58Å; E157-K339 PolarHBondContact OE1-NZ 2.69Å; E157-K339 IonicContact OE2-NZ 3.61Å; E157-L365 HydrophobicContact CB-CD2 3.88Å
158	A	98.6	Very high	97.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.3	-49.1	174.3	0	0	0	0	0	111.6	Y154 A155 L156 V160 R161 M162 V176 I180 L364 L365	Y154-A158 WeakPolarHBondContact O-CB 3.45Å; Y154-A158 PolarHBondContact O-N 2.98Å; A155-A158 PolarHBondContact O-N 2.89Å; L156-A158 VanDerWaalsContact C-N 3.29Å; L156-A158 PolarHBondContact O-N 3.17Å; A158-V160 VanDerWaalsContact C-N 3.32Å; A158-V160 PolarHBondContact O-N 3.36Å; A158-R161 PolarHBondContact O-N 2.96Å; A158-M162 WeakPolarHBondContact O-CG 3.31Å; A158-M162 PolarHBondContact O-N 3.09Å; A158-V176 HydrophobicContact CB-CG1 3.8Å; A158-I180 HydrophobicContact CB-CD1 3.25Å; A158-L364 HydrophobicContact CB-CD2 3.81Å; A158-L364 HydrophobicContact CB-CG 4.26Å; A158-L365 HydrophobicContact CB-CD2 3.94Å
159	A	98.6	Very high	97.1	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-56.6	-45.3	179.5	0	0	0	0	0	111.9	A155 L156 R161 M162 V173 V177 I233	A155-A159 WeakPolarHBondContact O-CB 3.32Å; A155-A159 PolarHBondContact O-N 2.89Å; L156-A159 PolarHBondContact O-N 3.42Å; A159-R161 VanDerWaalsContact C-N 3.32Å; A159-R161 PolarHBondContact O-N 3.23Å; A159-M162 PolarHBondContact O-N 3.07Å; A159-V173 HydrophobicContact CB-CG1 3.56Å; A159-V177 HydrophobicContact CB-CG2 4.06Å; A159-I233 HydrophobicContact CB-CG2 3.96Å
160	V	98.6	Very high	97.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58	-45.5	175.5	170.8	0	0	0	0	110.7	L156 A158 M162 L163 T328 V330 L337 K339 L369	L156-V160 HydrophobicContact CD1-CG2 4.16Å; L156-V160 HydrophobicContact CG-CG2 4.33Å; L156-V160 WeakPolarHBondContact O-CB 3.48Å; L156-V160 VanDerWaalsContact O-CG2 3.25Å; L156-V160 WeakPolarHBondContact O-CG2 3.35Å; L156-V160 PolarHBondContact O-N 2.92Å; A158-V160 VanDerWaalsContact C-N 3.32Å; A158-V160 PolarHBondContact O-N 3.36Å; V160-M162 PolarHBondContact O-N 3.36Å; V160-L163 WeakPolarHBondContact O-CB 3.48Å; V160-L163 PolarHBondContact O-N 2.99Å; V160-L163 VanDerWaalsContact O-N 3.11Å; V160-T328 HydrophobicContact CG2-CG2 3.7Å; V160-V330 HydrophobicContact CG1-CG1 4.24Å; V160-V330 HydrophobicContact CG1-CG2 3.99Å; V160-V330 HydrophobicContact CG2-CG2 3.9Å; V160-L337 WeakPolarHBondContact O-CD1 3.18Å; V160-K339 HydrophobicContact CG1-CD 4.16Å; V160-K339 HydrophobicContact CG1-CG 3.96Å; V160-K339 HydrophobicContact CG2-CD 4.28Å; V160-L369 HydrophobicContact CG1-CD2 3.86Å
161	R	98	Very high	97	Very high	38 Å²	38	26.8 Å²	26.8	14%	0.143	14%	0.143	C	C	.	.	H	α-helix	trans	-66.3	-19.8	-176.9	-76.1	171.1	175.8	70.8	-7.7	114.4	E157 A158 A159 R164 L364 L365 V367 L369	E157-R161 WeakPolarHBondContact O-CD 3.46Å; E157-R161 VanDerWaalsContact O-CG 3.31Å; E157-R161 WeakPolarHBondContact O-CG 3.44Å; E157-R161 PolarHBondContact O-N 3.41Å; E157-R161 PolarHBondContact O-NH1 3.22Å; E157-R161 IonicContact OE2-CZ 3.44Å; E157-R161 IonicContact OE2-NH1 3.73Å; E157-R161 PolarHBondContact OE2-NH1 3.03Å; E157-R161 IonicContact OE2-NH2 2.73Å; A158-R161 PolarHBondContact O-N 2.96Å; A159-R161 VanDerWaalsContact C-N 3.32Å; A159-R161 PolarHBondContact O-N 3.23Å; R161-R164 PolarHBondContact O-NE 2.5Å; R161-L364 HydrophobicContact CB-CD1 3.9Å; R161-L364 WeakPolarHBondContact CD-O 3.25Å; R161-L365 VanDerWaalsContact CZ-O 3.29Å; R161-L365 PolarHBondContact NE-O 2.64Å; R161-L365 PolarHBondContact NH2-O 3.45Å; R161-L365 VanDerWaalsContact NH2-O 3.16Å; R161-V367 VanDerWaalsContact CD-O 3.3Å; R161-V367 WeakPolarHBondContact CD-O 3.38Å; R161-V367 PolarHBondContact NE-O 3.29Å; R161-L369 HydrophobicContact CG-CD2 3.65Å
162	M	97.9	Very high	97	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.034	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-12.1	176.4	-65.3	179.2	71.8	0	0	113.6	A158 A159 V160 R164 N168 D172 V173 V176 F225 L364	A158-M162 WeakPolarHBondContact O-CG 3.31Å; A158-M162 PolarHBondContact O-N 3.09Å; A159-M162 PolarHBondContact O-N 3.07Å; V160-M162 PolarHBondContact O-N 3.36Å; M162-R164 PolarHBondContact O-N 2.65Å; M162-N168 HydrophobicContact CB-CB 4.45Å; M162-N168 HydrophobicContact CE-CB 4.48Å; M162-N168 WeakPolarHBondContact O-CB 3.45Å; M162-D172 VanDerWaalsContact CE-C 3.5Å; M162-D172 HydrophobicContact CE-CB 3.62Å; M162-V173 HydrophobicContact CB-CG2 3.87Å; M162-V173 HydrophobicContact CE-CG2 4.2Å; M162-V173 HydrophobicContact SD-CG2 4.24Å; M162-V176 HydrophobicContact CE-CB 4.45Å; M162-V176 HydrophobicContact CE-CG2 3.88Å; M162-V176 HydrophobicContact SD-CB 3.67Å; M162-V176 HydrophobicContact SD-CG1 3.87Å; M162-V176 HydrophobicContact SD-CG2 3.56Å; M162-V176 VanDerWaalsContact SD-CG2 3.56Å; M162-F225 WeakPolarHBondContact O-CD2 3.4Å; M162-L364 HydrophobicContact CG-CD1 4Å; M162-L364 HydrophobicContact CG-CD2 3.88Å; M162-L364 HydrophobicContact SD-CD2 3.95Å
163	L	97.8	Very high	96.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.			trans	-73.1	63.7	178.1	-63.4	-174.8	0	0	0	112.1	V160 I208 F225 Y231 I233 V330 I332 L337	V160-L163 WeakPolarHBondContact O-CB 3.48Å; V160-L163 PolarHBondContact O-N 2.99Å; V160-L163 VanDerWaalsContact O-N 3.11Å; L163-I208 HydrophobicContact CD2-CD1 4.15Å; L163-F225 HydrophobicContact CD2-CD1 3.81Å; L163-F225 HydrophobicContact CD2-CD2 4.27Å; L163-F225 HydrophobicContact CD2-CE1 3.42Å; L163-F225 VanDerWaalsContact CD2-CE1 3.42Å; L163-F225 HydrophobicContact CD2-CE2 3.91Å; L163-F225 HydrophobicContact CD2-CG 4.21Å; L163-F225 HydrophobicContact CD2-CZ 3.46Å; L163-F225 VanDerWaalsContact CD2-CZ 3.46Å; L163-Y231 HydrophobicContact CD1-CD2 4.32Å; L163-Y231 HydrophobicContact CD1-CG 4.33Å; L163-Y231 HydrophobicContact CD2-CG 4.5Å; L163-I233 HydrophobicContact CD1-CD1 3.84Å; L163-I233 HydrophobicContact CD1-CG1 3.53Å; L163-I233 HydrophobicContact CD2-CD1 3.92Å; L163-I233 HydrophobicContact CD2-CG1 4.45Å; L163-I233 HydrophobicContact CG-CD1 4.34Å; L163-I233 HydrophobicContact CG-CG1 4.33Å; L163-V330 HydrophobicContact CD1-CB 3.77Å; L163-V330 HydrophobicContact CD1-CG1 3.9Å; L163-V330 HydrophobicContact CD1-CG2 3.95Å; L163-I332 HydrophobicContact CB-CD1 3.92Å; L163-I332 HydrophobicContact CB-CG1 4.33Å; L163-I332 WeakPolarHBondContact O-CD1 3.36Å; L163-L337 HydrophobicContact CB-CD1 4.44Å; L163-L337 HydrophobicContact CB-CD2 4.5Å; L163-L337 WeakPolarHBondContact O-CD2 3.42Å
164	R	94.7	Very high	96.9	Very high	26 Å²	26	28.5 Å²	28.5	10%	0.098	15%	0.154	C	C	.	.	S	Bend	trans	-132	150.9	-175.7	-66.1	-178.4	-168.1	-87.9	0.1	111.4	R161 M162 D166 L337 S368 L369	R161-R164 PolarHBondContact O-NE 2.5Å; M162-R164 PolarHBondContact O-N 2.65Å; R164-D166 HydrophobicContact CB-CB 4.34Å; R164-D166 WeakPolarHBondContact CB-OD1 3.45Å; R164-D166 PolarHBondContact O-N 3.5Å; R164-L337 HydrophobicContact CG-CD1 4.06Å; R164-L337 HydrophobicContact CG-CD2 4.28Å; R164-L337 HydrophobicContact CG-CG 4.4Å; R164-S368 PolarHBondContact NH2-O 2.83Å; R164-L369 PolarHBondContact NH1-O 2.74Å; R164-L369 PolarHBondContact NH2-O 2.79Å
165	P	93.8	Very high	96.8	Very high	75 Å²	75	28.6 Å²	28.6	49%	0.487	16%	0.159	S	C	.	.	S	Bend	trans	-76.9	56.7	169.8	35.2	-37	0	0	0	111.1	F225	P165-F225 WeakPolarHBondContact CA-O 3.25Å; P165-F225 WeakPolarHBondContact CB-O 3.49Å
166	D	89.2	Confident	96.8	Very high	100 Å²	100	29.2 Å²	29.2	54%	0.535	16%	0.162	S	C	.	.	S	Bend	trans	-126.3	13.5	178.9	65.2	4	0	0	0	113.5	R164 N168	R164-D166 HydrophobicContact CB-CB 4.34Å; R164-D166 WeakPolarHBondContact CB-OD1 3.45Å; R164-D166 PolarHBondContact O-N 3.5Å; D166-N168 PolarHBondContact OD1-ND2 2.87Å
167	G	90	Very high	96.8	Very high	36 Å²	36	28.9 Å²	28.9	37%	0.371	16%	0.161	S	C	.	.	S	Bend	trans	100.9	-2.7	172.2	0	0	0	0	0	115.1
168	N	95.7	Very high	96.8	Very high	44 Å²	44	29.4 Å²	29.4	24%	0.235	16%	0.163	C	C	.	.			trans	-64.2	136.6	169.7	-71.8	-61.1	0	0	0	110.5	M162 D166 F225	M162-N168 HydrophobicContact CB-CB 4.45Å; M162-N168 HydrophobicContact CE-CB 4.48Å; M162-N168 WeakPolarHBondContact O-CB 3.45Å; D166-N168 PolarHBondContact OD1-ND2 2.87Å; N168-F225 HydrophobicContact CB-CD2 4.38Å; N168-F225 HydrophobicContact CB-CE2 4.46Å; N168-F225 WeakPolarHBondContact O-CD2 3.25Å
169	K	97.4	Very high	96.8	Very high	68 Å²	68	34.1 Å²	34.1	30%	0.296	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-101.7	157	176	-66.4	170.1	-175.5	175.9	0	111.2	T171 D172 V173 H223 E224	K169-T171 PolarHBondContact O-N 3.41Å; K169-D172 WeakPolarHBondContact CB-OD2 3.22Å; K169-D172 PolarHBondContact N-OD2 2.52Å; K169-D172 WeakPolarHBondContact O-CB 3.35Å; K169-D172 PolarHBondContact O-N 2.8Å; K169-V173 PolarHBondContact O-N 3Å; K169-H223 CarbonylContact C-O 3.56Å; K169-H223 VanDerWaalsContact CA-O 3.22Å; K169-H223 WeakPolarHBondContact CA-O 3.39Å; K169-E224 HydrophobicContact CD-CG 4.47Å; K169-E224 WeakPolarHBondContact CE-OE1 3.24Å; K169-E224 HydrophobicContact CG-CG 3.75Å; K169-E224 IonicContact NZ-OE1 3.41Å
170	N	97.8	Very high	96.8	Very high	2 Å²	2	34 Å²	34	1%	0.011	18%	0.18	C	C	.	.	H	α-helix	trans	-48.7	-38.6	168.6	59.3	-20.5	0	0	0	113.5	D172 V173 S174 Q207 I208 D221 K222 H223 F225	N170-D172 PolarHBondContact O-N 2.74Å; N170-V173 WeakPolarHBondContact O-CB 3.44Å; N170-V173 PolarHBondContact O-N 2.88Å; N170-S174 PolarHBondContact O-N 3.42Å; N170-S174 PolarHBondContact O-OG 3.05Å; N170-Q207 WeakPolarHBondContact CB-O 3.17Å; N170-Q207 PolarHBondContact ND2-O 2.88Å; N170-I208 HydrophobicContact CB-CG1 3.67Å; N170-D221 PolarHBondContact ND2-O 3.21Å; N170-K222 WeakPolarHBondContact OD1-CA 2.94Å; N170-H223 PolarHBondContact N-O 3.35Å; N170-H223 PolarHBondContact OD1-N 3.33Å; N170-F225 HydrophobicContact CB-CZ 4.27Å
171	T	97.4	Very high	96.8	Very high	33 Å²	33	34 Å²	34	20%	0.202	18%	0.18	C	C	.	.	H	α-helix	trans	-67.3	-33.2	176.6	53.7	0	0	0	0	113.7	K169 V173 S174 D175 I220 K222	K169-T171 PolarHBondContact O-N 3.41Å; T171-V173 VanDerWaalsContact C-N 3.29Å; T171-V173 PolarHBondContact O-N 3.37Å; T171-S174 WeakPolarHBondContact O-CB 3.22Å; T171-S174 PolarHBondContact O-N 3.27Å; T171-D175 PolarHBondContact O-N 2.85Å; T171-D175 VanDerWaalsContact O-N 3.16Å; T171-I220 HydrophobicContact CG2-CG2 4.22Å; T171-K222 HydrophobicContact CG2-CG 4.34Å
172	D	97.7	Very high	96.8	Very high	58 Å²	58	34.8 Å²	34.8	31%	0.31	20%	0.195	S	C	.	.	H	α-helix	trans	-68	-35.3	179.4	-54.3	-33.8	0	0	0	110.4	M162 K169 N170 D175 V176	M162-D172 VanDerWaalsContact CE-C 3.5Å; M162-D172 HydrophobicContact CE-CB 3.62Å; K169-D172 WeakPolarHBondContact CB-OD2 3.22Å; K169-D172 PolarHBondContact N-OD2 2.52Å; K169-D172 WeakPolarHBondContact O-CB 3.35Å; K169-D172 PolarHBondContact O-N 2.8Å; N170-D172 PolarHBondContact O-N 2.74Å; D172-D175 PolarHBondContact O-N 2.84Å; D172-V176 WeakPolarHBondContact O-CG2 3.33Å; D172-V176 PolarHBondContact O-N 3.43Å
173	V	98.4	Very high	96.9	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-46.4	173.8	-178.4	0	0	0	0	110.8	A159 M162 K169 N170 T171 D175 V176 V177 I208 F225	A159-V173 HydrophobicContact CB-CG1 3.56Å; M162-V173 HydrophobicContact CB-CG2 3.87Å; M162-V173 HydrophobicContact CE-CG2 4.2Å; M162-V173 HydrophobicContact SD-CG2 4.24Å; K169-V173 PolarHBondContact O-N 3Å; N170-V173 WeakPolarHBondContact O-CB 3.44Å; N170-V173 PolarHBondContact O-N 2.88Å; T171-V173 VanDerWaalsContact C-N 3.29Å; T171-V173 PolarHBondContact O-N 3.37Å; V173-D175 VanDerWaalsContact C-N 3.31Å; V173-D175 PolarHBondContact O-N 3.3Å; V173-V176 PolarHBondContact O-N 3.35Å; V173-V177 WeakPolarHBondContact O-CG2 3.45Å; V173-V177 PolarHBondContact O-N 3.11Å; V173-I208 HydrophobicContact CB-CG2 3.96Å; V173-I208 HydrophobicContact CG1-CD1 4.36Å; V173-I208 HydrophobicContact CG1-CG2 3.91Å; V173-F225 HydrophobicContact CG2-CE2 3.74Å; V173-F225 HydrophobicContact CG2-CZ 3.77Å
174	S	98	Very high	96.9	Very high	7 Å²	7	36.3 Å²	36.3	5%	0.049	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-42.6	177.3	-59.5	0	0	0	0	112.6	N170 T171 V177 E178 I208 V209	N170-S174 PolarHBondContact O-N 3.42Å; N170-S174 PolarHBondContact O-OG 3.05Å; T171-S174 WeakPolarHBondContact O-CB 3.22Å; T171-S174 PolarHBondContact O-N 3.27Å; S174-V177 PolarHBondContact O-N 3.24Å; S174-E178 PolarHBondContact O-N 3.16Å; S174-I208 WeakPolarHBondContact OG-CG2 3.17Å; S174-V209 WeakPolarHBondContact CB-O 3.12Å; S174-V209 PolarHBondContact OG-O 3.08Å
175	D	97.8	Very high	97.1	Very high	67 Å²	67	39.7 Å²	39.7	36%	0.358	23%	0.226	S	C	.	.	H	α-helix	trans	-70.2	-37.4	-180	-71.2	-16.6	0	0	0	111.7	T171 D172 V173 E178 R179 R217	T171-D175 PolarHBondContact O-N 2.85Å; T171-D175 VanDerWaalsContact O-N 3.16Å; D172-D175 PolarHBondContact O-N 2.84Å; V173-D175 VanDerWaalsContact C-N 3.31Å; V173-D175 PolarHBondContact O-N 3.3Å; D175-E178 PolarHBondContact O-N 2.93Å; D175-R179 VanDerWaalsContact O-CG 3.3Å; D175-R179 WeakPolarHBondContact O-CG 3.28Å; D175-R179 PolarHBondContact O-N 3.44Å; D175-R217 IonicContact OD1-NH1 3.86Å; D175-R217 PolarHBondContact OD1-NH1 3.2Å; D175-R217 IonicContact OD1-NH2 2.66Å
176	V	98.5	Very high	97.3	Very high	13 Å²	13	36.3 Å²	36.3	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-65.2	-40.3	174.8	164.1	0	0	0	0	112.1	A158 M162 D172 V173 E178 R179 I180 L361 L364	A158-V176 HydrophobicContact CB-CG1 3.8Å; M162-V176 HydrophobicContact CE-CB 4.45Å; M162-V176 HydrophobicContact CE-CG2 3.88Å; M162-V176 HydrophobicContact SD-CB 3.67Å; M162-V176 HydrophobicContact SD-CG1 3.87Å; M162-V176 HydrophobicContact SD-CG2 3.56Å; M162-V176 VanDerWaalsContact SD-CG2 3.56Å; D172-V176 WeakPolarHBondContact O-CG2 3.33Å; D172-V176 PolarHBondContact O-N 3.43Å; V173-V176 PolarHBondContact O-N 3.35Å; V176-E178 PolarHBondContact O-N 3.26Å; V176-R179 PolarHBondContact O-N 3.47Å; V176-I180 HydrophobicContact CG1-CD1 3.88Å; V176-I180 WeakPolarHBondContact O-CG1 3.4Å; V176-I180 PolarHBondContact O-N 3.32Å; V176-L361 HydrophobicContact CG1-CD2 4.09Å; V176-L361 HydrophobicContact CG2-CD2 4.43Å; V176-L364 HydrophobicContact CG1-CD2 3.9Å
177	V	98.7	Very high	97.8	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.03	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-46.2	176.3	168.6	0	0	0	0	111	A155 A159 V173 S174 I180 A181 A188 Q210 V235 I237	A155-V177 HydrophobicContact CB-CG1 4.18Å; A155-V177 HydrophobicContact CB-CG2 4.38Å; A159-V177 HydrophobicContact CB-CG2 4.06Å; V173-V177 WeakPolarHBondContact O-CG2 3.45Å; V173-V177 PolarHBondContact O-N 3.11Å; S174-V177 PolarHBondContact O-N 3.24Å; V177-I180 PolarHBondContact O-N 2.68Å; V177-A181 WeakPolarHBondContact O-CB 3.41Å; V177-A181 PolarHBondContact O-N 3.39Å; V177-A188 HydrophobicContact CG1-CB 4.06Å; V177-Q210 HydrophobicContact CG1-CG 3.99Å; V177-V235 HydrophobicContact CG1-CG1 4.21Å; V177-V235 HydrophobicContact CG2-CG1 3.92Å; V177-I237 HydrophobicContact CG1-CD1 4.25Å
178	E	98.3	Very high	98.2	Very high	35 Å²	35	35.4 Å²	35.4	16%	0.164	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-40	176.9	178.6	66	-175.3	0	0	112	S174 D175 V176 I180 A181 A182 R187 A188	S174-E178 PolarHBondContact O-N 3.16Å; D175-E178 PolarHBondContact O-N 2.93Å; V176-E178 PolarHBondContact O-N 3.26Å; E178-I180 VanDerWaalsContact C-N 3.33Å; E178-I180 PolarHBondContact O-N 3.18Å; E178-A181 PolarHBondContact O-N 3.13Å; E178-A182 WeakPolarHBondContact O-CB 3.18Å; E178-A182 PolarHBondContact O-N 2.85Å; E178-R187 IonicContact OE1-CZ 3.56Å; E178-R187 IonicContact OE1-NH1 3.63Å; E178-R187 PolarHBondContact OE1-NH1 2.67Å; E178-A188 WeakPolarHBondContact OE2-CB 3.38Å; E178-A188 PolarHBondContact OE2-N 3.21Å
179	R	98.6	Very high	98.3	Very high	99 Å²	99	33.3 Å²	33.3	37%	0.374	17%	0.171	S	C	.	.	H	α-helix	trans	-61.7	-39.9	176.9	-74.1	170.2	65.1	-178.2	3.2	112.4	D175 V176 A183 N358 E360 L361	D175-R179 VanDerWaalsContact O-CG 3.3Å; D175-R179 WeakPolarHBondContact O-CG 3.28Å; D175-R179 PolarHBondContact O-N 3.44Å; V176-R179 PolarHBondContact O-N 3.47Å; R179-A183 PolarHBondContact O-N 3.28Å; R179-N358 PolarHBondContact NH2-ND2 2.84Å; R179-N358 VanDerWaalsContact NH2-ND2 3.17Å; R179-N358 PolarHBondContact NH2-OD1 3.41Å; R179-E360 IonicContact CZ-OE2 2.89Å; R179-E360 IonicContact NH1-OE2 2.9Å; R179-E360 IonicContact NH2-OE2 3.08Å; R179-E360 PolarHBondContact NH2-OE2 3.13Å; R179-L361 HydrophobicContact CB-CD1 4.1Å
180	I	98.8	Very high	98.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70.9	-41.8	176.8	-69.7	169.7	0	0	0	110.6	A155 A158 V176 V177 E178 A182 A183 I356 L361	A155-I180 HydrophobicContact CB-CB 4.23Å; A155-I180 HydrophobicContact CB-CG2 4.01Å; A158-I180 HydrophobicContact CB-CD1 3.25Å; V176-I180 HydrophobicContact CG1-CD1 3.88Å; V176-I180 WeakPolarHBondContact O-CG1 3.4Å; V176-I180 PolarHBondContact O-N 3.32Å; V177-I180 PolarHBondContact O-N 2.68Å; E178-I180 VanDerWaalsContact C-N 3.33Å; E178-I180 PolarHBondContact O-N 3.18Å; I180-A182 VanDerWaalsContact C-N 3.3Å; I180-A182 PolarHBondContact O-N 3.17Å; I180-A183 WeakPolarHBondContact O-CB 3.25Å; I180-A183 PolarHBondContact O-N 3.29Å; I180-A183 VanDerWaalsContact O-N 3.15Å; I180-I356 HydrophobicContact CG1-CD1 4.35Å; I180-I356 HydrophobicContact CG2-CD1 3.98Å; I180-L361 HydrophobicContact CD1-CD2 4.44Å; I180-L361 HydrophobicContact CG1-CD1 3.91Å; I180-L361 HydrophobicContact CG1-CD2 4.15Å; I180-L361 HydrophobicContact CG1-CG 4.5Å
181	A	98.8	Very high	98.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-55.2	-47.8	174.3	0	0	0	0	0	111.4	V177 E178 A183 Y184 C186 I237	V177-A181 WeakPolarHBondContact O-CB 3.41Å; V177-A181 PolarHBondContact O-N 3.39Å; E178-A181 PolarHBondContact O-N 3.13Å; A181-A183 VanDerWaalsContact C-N 3.28Å; A181-A183 PolarHBondContact O-N 3.24Å; A181-Y184 PolarHBondContact O-N 3.41Å; A181-Y184 VanDerWaalsContact O-N 3.1Å; A181-C186 CarbonylContact C-O 3.23Å; A181-C186 VanDerWaalsContact C-O 3.23Å; A181-C186 HydrophobicContact CB-CB 4.46Å; A181-C186 WeakPolarHBondContact O-CA 3.45Å; A181-C186 WeakPolarHBondContact O-CB 3.48Å; A181-C186 PolarHBondContact O-N 3.29Å; A181-I237 HydrophobicContact CB-CD1 3.74Å; A181-I237 HydrophobicContact CB-CG2 4.35Å
182	A	98.6	Very high	98.3	Very high	54 Å²	54	35.8 Å²	35.8	45%	0.446	18%	0.184	S	C	.	.	H	α-helix	trans	-63	-29.8	179.3	0	0	0	0	0	113.5	E178 I180 Y184 D185 C186	E178-A182 WeakPolarHBondContact O-CB 3.18Å; E178-A182 PolarHBondContact O-N 2.85Å; I180-A182 VanDerWaalsContact C-N 3.3Å; I180-A182 PolarHBondContact O-N 3.17Å; A182-Y184 PolarHBondContact O-N 2.95Å; A182-D185 PolarHBondContact O-N 3.45Å; A182-C186 PolarHBondContact N-O 2.65Å
183	A	98.6	Very high	98.3	Very high	27 Å²	27	35.5 Å²	35.5	22%	0.223	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-20.2	176.7	0	0	0	0	0	113.3	R179 I180 A181 H354 I356	R179-A183 PolarHBondContact O-N 3.28Å; I180-A183 WeakPolarHBondContact O-CB 3.25Å; I180-A183 PolarHBondContact O-N 3.29Å; I180-A183 VanDerWaalsContact O-N 3.15Å; A181-A183 VanDerWaalsContact C-N 3.28Å; A181-A183 PolarHBondContact O-N 3.24Å; A183-H354 WeakPolarHBondContact O-CB 3.31Å; A183-I356 HydrophobicContact CB-CG1 4.14Å
184	Y	98.6	Very high	98.3	Very high	11 Å²	11	35.7 Å²	35.7	4%	0.043	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	20	175.4	-71.3	-86.4	0	0	0	112.5	L150 A151 Y154 A181 A182 C186 H354 I356	L150-Y184 HydrophobicContact CB-CD1 4.17Å; L150-Y184 HydrophobicContact CB-CE1 3.64Å; L150-Y184 HydrophobicContact CD1-CE1 4.02Å; L150-Y184 HydrophobicContact CG-CE1 4.5Å; A151-Y184 HydrophobicContact CB-CD2 3.71Å; A151-Y184 HydrophobicContact CB-CG 3.88Å; Y154-Y184 AromaticContact CD2-CE2 3.99Å; Y154-Y184 HydrophobicContact CD2-CE2 3.99Å; Y154-Y184 AromaticContact CD2-CZ 3.91Å; Y154-Y184 VanDerWaalsContact CD2-OH 3.27Å; Y154-Y184 WeakPolarHBondContact CD2-OH 3.4Å; Y154-Y184 WeakPolarHBondContact CE2-OH 3.45Å; A181-Y184 PolarHBondContact O-N 3.41Å; A181-Y184 VanDerWaalsContact O-N 3.1Å; A182-Y184 PolarHBondContact O-N 2.95Å; Y184-C186 PolarHBondContact O-N 2.88Å; Y184-C186 VanDerWaalsContact O-N 3.1Å; Y184-C186 PolarHBondContact O-SG 3.15Å; Y184-C186 VanDerWaalsContact O-SG 3.33Å; Y184-H354 HydrophobicContact CD1-CB 3.83Å; Y184-H354 HydrophobicContact CE1-CB 4.42Å; Y184-H354 WeakPolarHBondContact CE1-O 3.33Å; Y184-H354 HydrophobicContact CG-CB 4.38Å; Y184-I356 HydrophobicContact CE2-CD1 4.1Å; Y184-I356 HydrophobicContact CE2-CG1 3.68Å
185	D	98.4	Very high	98.3	Very high	98 Å²	98	36.8 Å²	36.8	52%	0.524	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	31.7	-175.9	-174	52.2	0	0	0	113	R144 A182	R144-D185 IonicContact CZ-OD2 2.71Å; R144-D185 PolarHBondContact NH1-O 3.19Å; R144-D185 IonicContact NH1-OD2 3.88Å; R144-D185 PolarHBondContact NH1-OD2 3.2Å; R144-D185 PolarHBondContact NH2-O 2.97Å; R144-D185 IonicContact NH2-OD2 3.83Å; A182-D185 PolarHBondContact O-N 3.45Å
186	C	98.8	Very high	98.3	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.02	17%	0.168	C	C	.	.			trans	-110.5	171.4	175.9	-65.5	0	0	0	0	111	A151 A181 A182 Y184 I237 S238	A151-C186 HydrophobicContact CB-CB 4.45Å; A181-C186 CarbonylContact C-O 3.23Å; A181-C186 VanDerWaalsContact C-O 3.23Å; A181-C186 HydrophobicContact CB-CB 4.46Å; A181-C186 WeakPolarHBondContact O-CA 3.45Å; A181-C186 WeakPolarHBondContact O-CB 3.48Å; A181-C186 PolarHBondContact O-N 3.29Å; A182-C186 PolarHBondContact N-O 2.65Å; Y184-C186 PolarHBondContact O-N 2.88Å; Y184-C186 VanDerWaalsContact O-N 3.1Å; Y184-C186 PolarHBondContact O-SG 3.15Å; Y184-C186 VanDerWaalsContact O-SG 3.33Å; C186-I237 HydrophobicContact CB-CG2 3.35Å; C186-S238 WeakPolarHBondContact CB-O 3.29Å
187	R	98.7	Very high	98.3	Very high	117 Å²	117	33.3 Å²	33.3	44%	0.442	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.1	174.4	-68.8	-69.5	-176.9	-174.6	-4.8	110.8	E178 V189 I237 S238 G240	E178-R187 IonicContact OE1-CZ 3.56Å; E178-R187 IonicContact OE1-NH1 3.63Å; E178-R187 PolarHBondContact OE1-NH1 2.67Å; R187-V189 PolarHBondContact O-N 3.02Å; R187-I237 WeakPolarHBondContact O-CA 3.28Å; R187-S238 PolarHBondContact N-O 3.38Å; R187-S238 PolarHBondContact O-N 2.92Å; R187-G240 WeakPolarHBondContact CG-O 3.3Å
188	A	98.7	Very high	98.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	131.6	163.6	0	0	0	0	0	108.7	V177 E178 E190 Q210 R211 I237	V177-A188 HydrophobicContact CG1-CB 4.06Å; E178-A188 WeakPolarHBondContact OE2-CB 3.38Å; E178-A188 PolarHBondContact OE2-N 3.21Å; A188-E190 PolarHBondContact O-N 3.43Å; A188-Q210 HydrophobicContact CB-CG 3.59Å; A188-R211 HydrophobicContact CB-CB 4.43Å; A188-R211 WeakPolarHBondContact O-CD 3.5Å; A188-I237 HydrophobicContact CB-CD1 4.12Å
189	V	98.7	Very high	98.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-63.5	129.3	175.5	-175.1	0	0	0	0	109.7	R187 M192 Q210 Y236 A244 V323	R187-V189 PolarHBondContact O-N 3.02Å; V189-M192 HydrophobicContact CB-CE 4.27Å; V189-M192 HydrophobicContact CB-CG 3.99Å; V189-M192 HydrophobicContact CG1-CE 3.46Å; V189-M192 VanDerWaalsContact CG1-CE 3.46Å; V189-M192 HydrophobicContact CG1-CG 3.96Å; V189-Q210 PolarHBondContact O-NE2 3.41Å; V189-Y236 WeakPolarHBondContact CG2-O 3.45Å; V189-Y236 PolarHBondContact N-O 3.45Å; V189-A244 HydrophobicContact CG1-CB 3.76Å; V189-V323 HydrophobicContact CG2-CG1 4.1Å
190	E	97.8	Very high	98.1	Very high	67 Å²	67	38.2 Å²	38.2	31%	0.313	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	150.3	-178.7	73.9	-172.2	177.5	0	0	112.1	A188 M192 G242	A188-E190 PolarHBondContact O-N 3.43Å; E190-M192 PolarHBondContact O-N 2.86Å; E190-G242 WeakPolarHBondContact CB-O 3.42Å; E190-G242 WeakPolarHBondContact CG-O 3.41Å; E190-G242 PolarHBondContact N-O 3.35Å
191	N	96.6	Very high	98	Very high	77 Å²	77	40.9 Å²	40.9	41%	0.412	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	31.9	169.7	-167.7	39	0	0	0	114.2	F193 Q210 Q216	N191-F193 WeakPolarHBondContact O-CD2 3.31Å; N191-F193 WeakPolarHBondContact O-CE2 3.47Å; N191-F193 WeakPolarHBondContact OD1-CE2 3.1Å; N191-F193 WeakPolarHBondContact OD1-CZ 3.22Å; N191-Q210 PolarHBondContact N-O 3.36Å; N191-Q216 PolarHBondContact OD1-NE2 3.37Å
192	M	97.7	Very high	97.9	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.059	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	144.4	169.5	-63.2	-64.2	-179.3	0	0	109.9	A92 V189 E190 Q210 Y236 L315	A92-M192 HydrophobicContact CB-CE 4.46Å; V189-M192 HydrophobicContact CB-CE 4.27Å; V189-M192 HydrophobicContact CB-CG 3.99Å; V189-M192 HydrophobicContact CG1-CE 3.46Å; V189-M192 VanDerWaalsContact CG1-CE 3.46Å; V189-M192 HydrophobicContact CG1-CG 3.96Å; E190-M192 PolarHBondContact O-N 2.86Å; M192-Q210 HydrophobicContact CB-CB 4.08Å; M192-Q210 WeakPolarHBondContact O-CB 3.31Å; M192-Q210 PolarHBondContact O-N 3.24Å; M192-Y236 HydrophobicContact CB-CD2 3.56Å; M192-Y236 HydrophobicContact CB-CE2 4.04Å; M192-Y236 HydrophobicContact CB-CG 4.27Å; M192-Y236 HydrophobicContact CG-CD2 3.66Å; M192-Y236 HydrophobicContact CG-CE2 4.26Å; M192-Y236 HydrophobicContact CG-CG 3.88Å; M192-Y236 HydrophobicContact SD-CD2 4.14Å; M192-Y236 HydrophobicContact SD-CE2 4.24Å; M192-Y236 HydrophobicContact SD-CG 4.28Å; M192-L315 HydrophobicContact CE-CD1 3.78Å
193	F	97	Very high	97.7	Very high	52 Å²	52	40 Å²	40	23%	0.228	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.9	-169.5	-63.6	-100.6	0	0	0	112.1	N191 Y195 Q207 I208 V209	N191-F193 WeakPolarHBondContact O-CD2 3.31Å; N191-F193 WeakPolarHBondContact O-CE2 3.47Å; N191-F193 WeakPolarHBondContact OD1-CE2 3.1Å; N191-F193 WeakPolarHBondContact OD1-CZ 3.22Å; F193-Y195 HydrophobicContact CB-CD2 4.08Å; F193-Y195 HydrophobicContact CB-CE1 4.06Å; F193-Y195 HydrophobicContact CB-CE2 3.34Å; F193-Y195 WeakPolarHBondContact CB-OH 3.47Å; F193-Y195 HydrophobicContact CD1-CE1 4.08Å; F193-Y195 AromaticContact CD1-CZ 3.83Å; F193-Y195 WeakPolarHBondContact CD1-OH 3.48Å; F193-Y195 HydrophobicContact CG-CE1 4.34Å; F193-Y195 HydrophobicContact CG-CE2 4.16Å; F193-Y195 AromaticContact CG-CZ 3.67Å; F193-Y195 WeakPolarHBondContact CG-OH 3.37Å; F193-Q207 HydrophobicContact CD1-CB 4.45Å; F193-I208 WeakPolarHBondContact CA-O 3.45Å; F193-V209 HydrophobicContact CD1-CB 4.46Å; F193-V209 HydrophobicContact CD1-CG1 4.39Å; F193-V209 HydrophobicContact CD1-CG2 3.73Å; F193-V209 HydrophobicContact CE1-CB 4.34Å; F193-V209 HydrophobicContact CE1-CG1 4.02Å; F193-V209 HydrophobicContact CE1-CG2 3.53Å; F193-V209 HydrophobicContact CZ-CG1 4.21Å; F193-V209 HydrophobicContact CZ-CG2 4.47Å
194	S	98.6	Very high	97.6	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.042	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	148.3	152.9	-57	0	0	0	0	109.1	Q207 I208 A232 I233 G234	S194-Q207 WeakPolarHBondContact O-CA 3.39Å; S194-I208 PolarHBondContact N-O 2.74Å; S194-I208 PolarHBondContact O-N 3.2Å; S194-A232 WeakPolarHBondContact CA-O 3.25Å; S194-A232 WeakPolarHBondContact CB-O 3.38Å; S194-I233 WeakPolarHBondContact OG-CA 3.47Å; S194-G234 PolarHBondContact OG-N 3.28Å; S194-G234 PolarHBondContact OG-O 2.9Å; S194-G234 VanDerWaalsContact OG-O 3.09Å
195	Y	98	Very high	97.3	Very high	30 Å²	30	42.7 Å²	42.7	12%	0.118	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.5	-176.2	-65.7	-76.1	0	0	0	111.2	F193 D203 V206 Q207 Y231 A232	F193-Y195 HydrophobicContact CB-CD2 4.08Å; F193-Y195 HydrophobicContact CB-CE1 4.06Å; F193-Y195 HydrophobicContact CB-CE2 3.34Å; F193-Y195 WeakPolarHBondContact CB-OH 3.47Å; F193-Y195 HydrophobicContact CD1-CE1 4.08Å; F193-Y195 AromaticContact CD1-CZ 3.83Å; F193-Y195 WeakPolarHBondContact CD1-OH 3.48Å; F193-Y195 HydrophobicContact CG-CE1 4.34Å; F193-Y195 HydrophobicContact CG-CE2 4.16Å; F193-Y195 AromaticContact CG-CZ 3.67Å; F193-Y195 WeakPolarHBondContact CG-OH 3.37Å; Y195-D203 HydrophobicContact CD1-CB 3.87Å; Y195-D203 HydrophobicContact CD2-CB 3.98Å; Y195-D203 HydrophobicContact CE1-CB 3.88Å; Y195-D203 HydrophobicContact CE2-CB 3.97Å; Y195-D203 HydrophobicContact CG-CB 3.93Å; Y195-V206 WeakPolarHBondContact CA-O 3.4Å; Y195-Q207 HydrophobicContact CD1-CB 4.36Å; Y195-Q207 HydrophobicContact CD1-CG 3.82Å; Y195-Q207 HydrophobicContact CE1-CB 4.3Å; Y195-Q207 HydrophobicContact CE1-CG 3.67Å; Y195-Y231 WeakPolarHBondContact O-CA 3.2Å; Y195-A232 PolarHBondContact N-O 3.39Å; Y195-A232 PolarHBondContact O-N 2.87Å
196	S	98.3	Very high	97.3	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	145.3	153.9	56.3	0	0	0	0	109.7	G204 P205 V206 V230	S196-G204 WeakPolarHBondContact O-CA 3.47Å; S196-G204 PolarHBondContact O-N 2.81Å; S196-G204 VanDerWaalsContact OG-C 3.28Å; S196-P205 WeakPolarHBondContact OG-CD 3.3Å; S196-V206 PolarHBondContact N-O 2.87Å; S196-V206 PolarHBondContact OG-N 3.47Å; S196-V206 PolarHBondContact OG-O 2.85Å; S196-V230 CarbonylContact C-O 3.57Å; S196-V230 VanDerWaalsContact CA-O 3.28Å; S196-V230 WeakPolarHBondContact CA-O 3.18Å
197	L	98.4	Very high	97.2	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.026	20%	0.197	C	C	.	.			trans	-105.2	134.3	174.8	-58.5	-178.5	0	0	0	108.7	I124 I202 V230 A232 T329	I124-L197 HydrophobicContact CB-CD1 4.1Å; I124-L197 HydrophobicContact CG2-CD1 4.08Å; I124-L197 HydrophobicContact CG2-CD2 4.36Å; L197-I202 HydrophobicContact CD2-CG1 4.36Å; L197-I202 WeakPolarHBondContact CD2-O 3.36Å; L197-V230 HydrophobicContact CB-CB 4.28Å; L197-V230 HydrophobicContact CB-CG1 4.05Å; L197-V230 HydrophobicContact CD1-CG1 3.98Å; L197-V230 HydrophobicContact CG-CG1 4.36Å; L197-V230 PolarHBondContact N-O 3.03Å; L197-A232 HydrophobicContact CD1-CB 4.08Å; L197-A232 HydrophobicContact CD2-CB 3.92Å; L197-A232 HydrophobicContact CG-CB 4.15Å; L197-T329 HydrophobicContact CD1-CG2 3.82Å
198	K	97.2	Very high	97.2	Very high	89 Å²	89	36.9 Å²	36.9	39%	0.387	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-125.8	161.6	169.6	-59.9	-69.3	-177.2	175.2	0	108.7	F200 K201	K198-F200 PolarHBondContact O-N 3.43Å; K198-K201 HydrophobicContact CB-CB 4.2Å; K198-K201 PolarHBondContact N-O 3.35Å; K198-K201 VanDerWaalsContact N-O 3.1Å; K198-K201 PolarHBondContact O-N 2.82Å; K198-K201 VanDerWaalsContact O-O 3.06Å
199	R	96.8	Very high	97.2	Very high	93 Å²	93	37 Å²	37	35%	0.351	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	129.1	174.1	-169.4	-174.7	176.9	-163.2	-3.6	109	D17 D121 G122 F123 K201	D17-R199 HydrophobicContact CB-CB 4.48Å; D17-R199 WeakPolarHBondContact OD2-CD 3.41Å; D17-R199 IonicContact OD2-CZ 2.83Å; D17-R199 IonicContact OD2-NE 2.65Å; D17-R199 IonicContact OD2-NH1 3.72Å; D17-R199 PolarHBondContact OD2-NH1 3.28Å; D121-R199 VanDerWaalsContact O-CG 3.23Å; D121-R199 WeakPolarHBondContact O-CG 3.47Å; D121-R199 PolarHBondContact O-NE 2.82Å; D121-R199 IonicContact OD1-CZ 3.83Å; D121-R199 IonicContact OD1-NE 3.01Å; D121-R199 IonicContact OD1-NH2 2.59Å; D121-R199 PolarHBondContact OD1-NH2 3.11Å; D121-R199 IonicContact OD2-CZ 2.69Å; D121-R199 IonicContact OD2-NH2 2.96Å; D121-R199 PolarHBondContact OD2-NH2 2.98Å; G122-R199 WeakPolarHBondContact O-CA 3.34Å; F123-R199 HydrophobicContact CD1-CB 4.26Å; F123-R199 HydrophobicContact CD1-CG 4.5Å; F123-R199 HydrophobicContact CD2-CG 4.43Å; F123-R199 HydrophobicContact CE1-CB 3.89Å; F123-R199 HydrophobicContact CE1-CG 4.19Å; F123-R199 HydrophobicContact CE2-CG 4.11Å; F123-R199 HydrophobicContact CZ-CB 4.14Å; F123-R199 HydrophobicContact CZ-CG 4Å; R199-K201 VanDerWaalsContact C-N 3.3Å; R199-K201 PolarHBondContact O-N 3.45Å
200	F	96.1	Very high	97.2	Very high	59 Å²	59	37.4 Å²	37.4	26%	0.259	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	-20.4	-175.7	16.2	-124.6	0	0	0	115.3	K77 D121 G122 K198 M283	K77-F200 HydrophobicContact CB-CE1 3.99Å; K77-F200 HydrophobicContact CD-CE1 4.34Å; D121-F200 WeakPolarHBondContact O-CE2 3.34Å; D121-F200 WeakPolarHBondContact O-CZ 3.47Å; G122-F200 PolarHBondContact O-N 3.41Å; G122-F200 VanDerWaalsContact O-N 3.07Å; K198-F200 PolarHBondContact O-N 3.43Å; F200-M283 VanDerWaalsContact C-CE 3.48Å; F200-M283 HydrophobicContact CB-CE 3.59Å; F200-M283 HydrophobicContact CD1-CE 3.93Å; F200-M283 HydrophobicContact CG-CE 4.2Å; F200-M283 WeakPolarHBondContact O-CE 3.36Å
201	K	96.5	Very high	97.1	Very high	56 Å²	56	36.9 Å²	36.9	24%	0.243	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-141.2	107.1	-153.8	-166.8	168.6	-169.2	133.2	0	112.6	K198 R199 D203 E258	K198-K201 HydrophobicContact CB-CB 4.2Å; K198-K201 PolarHBondContact N-O 3.35Å; K198-K201 VanDerWaalsContact N-O 3.1Å; K198-K201 PolarHBondContact O-N 2.82Å; K198-K201 VanDerWaalsContact O-O 3.06Å; R199-K201 VanDerWaalsContact C-N 3.3Å; R199-K201 PolarHBondContact O-N 3.45Å; K201-D203 WeakPolarHBondContact CE-O 3.43Å; K201-E258 IonicContact NZ-OE1 2.72Å; K201-E258 IonicContact NZ-OE2 3.65Å; K201-E258 PolarHBondContact NZ-OE2 2.9Å
202	I	96.8	Very high	97.1	Very high	15 Å²	15	33.8 Å²	33.8	8%	0.077	16%	0.159	C	C	.	.	S	Bend	trans	-79.2	-23.6	-179.2	-165.9	166.9	0	0	0	113.6	F82 A117 I124 L197 K255	F82-I202 HydrophobicContact CB-CD1 3.78Å; F82-I202 HydrophobicContact CD2-CD1 4.21Å; F82-I202 HydrophobicContact CG-CD1 4.36Å; A117-I202 HydrophobicContact CB-CD1 4.33Å; I124-I202 HydrophobicContact CD1-CB 3.91Å; I124-I202 HydrophobicContact CD1-CG1 4.42Å; I124-I202 HydrophobicContact CG2-CG1 4.49Å; L197-I202 HydrophobicContact CD2-CG1 4.36Å; L197-I202 WeakPolarHBondContact CD2-O 3.36Å; I202-K255 HydrophobicContact CG2-CD 4.39Å
203	D	95.3	Very high	97	Very high	22 Å²	22	35.9 Å²	35.9	12%	0.118	18%	0.175	C	C	.	.	S	Bend	trans	-116.5	67.1	176.1	56.2	-14.5	0	0	0	109.2	Y195 K201 K255 K310	Y195-D203 HydrophobicContact CD1-CB 3.87Å; Y195-D203 HydrophobicContact CD2-CB 3.98Å; Y195-D203 HydrophobicContact CE1-CB 3.88Å; Y195-D203 HydrophobicContact CE2-CB 3.97Å; Y195-D203 HydrophobicContact CG-CB 3.93Å; K201-D203 WeakPolarHBondContact CE-O 3.43Å; D203-K255 WeakPolarHBondContact OD1-CE 3.18Å; D203-K255 IonicContact OD1-NZ 3.58Å; D203-K255 PolarHBondContact OD1-NZ 3.01Å; D203-K255 WeakPolarHBondContact OD2-CE 3.45Å; D203-K255 IonicContact OD2-NZ 3.81Å; D203-K255 PolarHBondContact OD2-NZ 3.06Å; D203-K310 IonicContact OD2-NZ 3.61Å; D203-K310 PolarHBondContact OD2-NZ 2.89Å
204	G	95.7	Very high	96.8	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.01	20%	0.202	C	C	.	.			trans	-59.2	172.8	175.7	0	0	0	0	0	113	S196 V206	S196-G204 WeakPolarHBondContact O-CA 3.47Å; S196-G204 PolarHBondContact O-N 2.81Å; S196-G204 VanDerWaalsContact OG-C 3.28Å; G204-V206 VanDerWaalsContact C-N 3.35Å; G204-V206 PolarHBondContact O-N 3.03Å
205	P	94	Very high	96.6	Very high	93 Å²	93	47.8 Å²	47.8	60%	0.604	23%	0.229	S	C	*	.	S	Bend	trans	-63	-37.1	-167.2	24.8	-34.6	0	0	0	113.5	S196	S196-P205 WeakPolarHBondContact OG-CD 3.3Å
206	V	97.3	Very high	96.5	Very high	14 Å²	14	48 Å²	48	9%	0.085	23%	0.231	C	C	.	.			trans	-79.6	127.4	178.3	-173.7	0	0	0	0	110.1	Y195 S196 G204 H223 Y231	Y195-V206 WeakPolarHBondContact CA-O 3.4Å; S196-V206 PolarHBondContact N-O 2.87Å; S196-V206 PolarHBondContact OG-N 3.47Å; S196-V206 PolarHBondContact OG-O 2.85Å; G204-V206 VanDerWaalsContact C-N 3.35Å; G204-V206 PolarHBondContact O-N 3.03Å; V206-H223 HydrophobicContact CG1-CB 3.64Å; V206-H223 HydrophobicContact CG2-CB 4.31Å; V206-Y231 HydrophobicContact CB-CE1 3.95Å; V206-Y231 HydrophobicContact CG1-CE1 3.78Å
207	Q	97.4	Very high	96.2	Very high	74 Å²	74	53.8 Å²	53.8	35%	0.346	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.2	178.9	-48.6	-172.2	-5.6	0	0	110.4	N170 F193 S194 Y195 V209	N170-Q207 WeakPolarHBondContact CB-O 3.17Å; N170-Q207 PolarHBondContact ND2-O 2.88Å; F193-Q207 HydrophobicContact CD1-CB 4.45Å; S194-Q207 WeakPolarHBondContact O-CA 3.39Å; Y195-Q207 HydrophobicContact CD1-CB 4.36Å; Y195-Q207 HydrophobicContact CD1-CG 3.82Å; Y195-Q207 HydrophobicContact CE1-CB 4.3Å; Y195-Q207 HydrophobicContact CE1-CG 3.67Å; Q207-V209 HydrophobicContact CB-CG2 4.34Å
208	I	98.3	Very high	96	Very high	8 Å²	8	61 Å²	61	4%	0.041	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	111.4	163.2	-58.9	155.8	0	0	0	105.6	L163 N170 V173 S174 F193 S194 F225 I233	L163-I208 HydrophobicContact CD2-CD1 4.15Å; N170-I208 HydrophobicContact CB-CG1 3.67Å; V173-I208 HydrophobicContact CB-CG2 3.96Å; V173-I208 HydrophobicContact CG1-CD1 4.36Å; V173-I208 HydrophobicContact CG1-CG2 3.91Å; S174-I208 WeakPolarHBondContact OG-CG2 3.17Å; F193-I208 WeakPolarHBondContact CA-O 3.45Å; S194-I208 PolarHBondContact N-O 2.74Å; S194-I208 PolarHBondContact O-N 3.2Å; I208-F225 HydrophobicContact CD1-CE1 4.02Å; I208-F225 HydrophobicContact CD1-CZ 3.9Å; I208-F225 HydrophobicContact CG1-CE1 4.47Å; I208-F225 HydrophobicContact CG1-CZ 4.29Å; I208-I233 HydrophobicContact CD1-CD1 3.58Å
209	V	98.1	Very high	95.9	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118	-176.9	-170	0	0	0	0	108.5	S174 F193 Q207 R211 P212 I220	S174-V209 WeakPolarHBondContact CB-O 3.12Å; S174-V209 PolarHBondContact OG-O 3.08Å; F193-V209 HydrophobicContact CD1-CB 4.46Å; F193-V209 HydrophobicContact CD1-CG1 4.39Å; F193-V209 HydrophobicContact CD1-CG2 3.73Å; F193-V209 HydrophobicContact CE1-CB 4.34Å; F193-V209 HydrophobicContact CE1-CG1 4.02Å; F193-V209 HydrophobicContact CE1-CG2 3.53Å; F193-V209 HydrophobicContact CZ-CG1 4.21Å; F193-V209 HydrophobicContact CZ-CG2 4.47Å; Q207-V209 HydrophobicContact CB-CG2 4.34Å; V209-R211 PolarHBondContact O-N 3.24Å; V209-P212 HydrophobicContact CB-CB 4.13Å; V209-P212 HydrophobicContact CG1-CB 3.9Å; V209-P212 WeakPolarHBondContact O-CD 3.31Å; V209-I220 HydrophobicContact CB-CD1 3.74Å; V209-I220 HydrophobicContact CG2-CD1 3.59Å; V209-I220 HydrophobicContact CG2-CG1 3.82Å
210	Q	98.3	Very high	95.8	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127	177.3	-164.9	-179.9	-91.8	0	0	109.7	V177 A188 V189 N191 M192 Y236	V177-Q210 HydrophobicContact CG1-CG 3.99Å; A188-Q210 HydrophobicContact CB-CG 3.59Å; V189-Q210 PolarHBondContact O-NE2 3.41Å; N191-Q210 PolarHBondContact N-O 3.36Å; M192-Q210 HydrophobicContact CB-CB 4.08Å; M192-Q210 WeakPolarHBondContact O-CB 3.31Å; M192-Q210 PolarHBondContact O-N 3.24Å; Q210-Y236 PolarHBondContact NE2-O 2.92Å
211	R	97.1	Very high	95.7	Very high	57 Å²	57	63.3 Å²	63.3	22%	0.215	31%	0.312	C	S	.	.	S	Bend	trans	40.6	64.8	-178.8	-169.6	-178.1	171.1	-144.4	8.4	112.3	A188 V209 E241 G242	A188-R211 HydrophobicContact CB-CB 4.43Å; A188-R211 WeakPolarHBondContact O-CD 3.5Å; V209-R211 PolarHBondContact O-N 3.24Å; R211-E241 PolarHBondContact NH1-O 3.1Å; R211-G242 PolarHBondContact NH1-O 2.89Å
212	P	96.6	Very high	95.7	Very high	11 Å²	11	67.8 Å²	67.8	7%	0.071	33%	0.332	C	S	.	.			trans	-67.5	144.7	-177.7	27.1	-30.6	0	0	0	110.8	V209 Q216 R217 I220	V209-P212 HydrophobicContact CB-CB 4.13Å; V209-P212 HydrophobicContact CG1-CB 3.9Å; V209-P212 WeakPolarHBondContact O-CD 3.31Å; P212-Q216 HydrophobicContact CB-CB 3.76Å; P212-R217 HydrophobicContact CB-CG 4.04Å; P212-R217 HydrophobicContact CG-CG 3.62Å; P212-R217 PolarHBondContact O-NE 2.96Å; P212-I220 HydrophobicContact CB-CD1 3.68Å; P212-I220 HydrophobicContact CG-CD1 3.98Å
213	S	94.5	Very high	95.8	Very high	57 Å²	57	69.1 Å²	69.1	40%	0.399	34%	0.338	S	S	.	.			trans	-61.7	162.9	169	63.2	0	0	0	0	111.5	K215 Q216 R217	S213-K215 PolarHBondContact O-N 2.69Å; S213-Q216 PolarHBondContact O-N 3.04Å; S213-Q216 VanDerWaalsContact OG-CG 3.29Å; S213-Q216 WeakPolarHBondContact OG-CG 3.23Å; S213-Q216 PolarHBondContact OG-N 3.33Å; S213-Q216 PolarHBondContact OG-OE1 2.94Å; S213-R217 WeakPolarHBondContact O-CG 3.38Å; S213-R217 PolarHBondContact O-N 3.46Å
214	E	93.9	Very high	95.9	Very high	170 Å²	170	72.9 Å²	72.9	79%	0.794	36%	0.355	S	S	*	.	H	α-helix	trans	-54.1	-43.2	177.3	-67.8	-178.3	172.2	0	0	112.1	Q216 R217 L218	E214-Q216 PolarHBondContact O-N 2.82Å; E214-R217 PolarHBondContact O-N 3.31Å; E214-L218 PolarHBondContact O-N 3.02Å
215	K	95.1	Very high	96	Very high	137 Å²	137	73 Å²	73	60%	0.596	36%	0.355	S	S	*	.	H	α-helix	trans	-59	-48.7	175.3	-178.7	180	172.6	-177.3	0	111.5	S213 R217 L218 E219	S213-K215 PolarHBondContact O-N 2.69Å; K215-R217 VanDerWaalsContact C-N 3.32Å; K215-R217 PolarHBondContact O-N 2.84Å; K215-L218 WeakPolarHBondContact O-CB 3.13Å; K215-L218 PolarHBondContact O-N 2.59Å; K215-L218 VanDerWaalsContact O-N 3.14Å; K215-E219 WeakPolarHBondContact CE-OE1 3.49Å; K215-E219 IonicContact NZ-OE1 3.93Å; K215-E219 PolarHBondContact O-N 2.85Å
216	Q	94	Very high	96.2	Very high	34 Å²	34	74.3 Å²	74.3	16%	0.159	35%	0.353	C	S	.	.	H	α-helix	trans	-64.3	-36.5	179.1	-70.5	172.7	-65.2	0	0	112.3	N191 P212 S213 E214 L218 E219 I220	N191-Q216 PolarHBondContact OD1-NE2 3.37Å; P212-Q216 HydrophobicContact CB-CB 3.76Å; S213-Q216 PolarHBondContact O-N 3.04Å; S213-Q216 VanDerWaalsContact OG-CG 3.29Å; S213-Q216 WeakPolarHBondContact OG-CG 3.23Å; S213-Q216 PolarHBondContact OG-N 3.33Å; S213-Q216 PolarHBondContact OG-OE1 2.94Å; E214-Q216 PolarHBondContact O-N 2.82Å; Q216-L218 PolarHBondContact O-N 3.01Å; Q216-E219 PolarHBondContact O-N 2.94Å; Q216-I220 HydrophobicContact CB-CD1 4.29Å; Q216-I220 WeakPolarHBondContact O-CD1 3.04Å; Q216-I220 WeakPolarHBondContact O-CG1 3.3Å; Q216-I220 PolarHBondContact O-N 2.74Å
217	R	93.8	Very high	96.1	Very high	125 Å²	125	76.7 Å²	76.7	47%	0.472	37%	0.365	S	S	.	.	H	α-helix	trans	-58.7	-28.6	175.8	-73.1	-177.6	-177.1	-94.3	3.5	112.9	D175 P212 S213 E214 K215	D175-R217 IonicContact OD1-NH1 3.86Å; D175-R217 PolarHBondContact OD1-NH1 3.2Å; D175-R217 IonicContact OD1-NH2 2.66Å; P212-R217 HydrophobicContact CB-CG 4.04Å; P212-R217 HydrophobicContact CG-CG 3.62Å; P212-R217 PolarHBondContact O-NE 2.96Å; S213-R217 WeakPolarHBondContact O-CG 3.38Å; S213-R217 PolarHBondContact O-N 3.46Å; E214-R217 PolarHBondContact O-N 3.31Å; K215-R217 VanDerWaalsContact C-N 3.32Å; K215-R217 PolarHBondContact O-N 2.84Å
218	L	94.4	Very high	96.1	Very high	156 Å²	156	77.8 Å²	77.8	82%	0.817	37%	0.367	S	S	*	.	H	α-helix	trans	-83.6	-24.1	176.4	-60.9	173.4	0	0	0	113.1	E214 K215 Q216	E214-L218 PolarHBondContact O-N 3.02Å; K215-L218 WeakPolarHBondContact O-CB 3.13Å; K215-L218 PolarHBondContact O-N 2.59Å; K215-L218 VanDerWaalsContact O-N 3.14Å; Q216-L218 PolarHBondContact O-N 3.01Å
219	E	94.2	Very high	96.1	Very high	120 Å²	120	78.2 Å²	78.2	56%	0.561	37%	0.368	S	S	*	.	H	α-helix	trans	-100	-16	-175.4	-67.8	174.5	170.9	0	0	113.5	K215 Q216 D221	K215-E219 WeakPolarHBondContact CE-OE1 3.49Å; K215-E219 IonicContact NZ-OE1 3.93Å; K215-E219 PolarHBondContact O-N 2.85Å; Q216-E219 PolarHBondContact O-N 2.94Å; E219-D221 PolarHBondContact O-N 2.96Å
220	I	93.6	Very high	96.1	Very high	25 Å²	25	78.4 Å²	78.4	13%	0.128	37%	0.37	C	S	.	.	S	Bend	trans	-70.8	117.5	177.9	-71.3	157.5	0	0	0	109.7	T171 V209 P212 Q216 K222	T171-I220 HydrophobicContact CG2-CG2 4.22Å; V209-I220 HydrophobicContact CB-CD1 3.74Å; V209-I220 HydrophobicContact CG2-CD1 3.59Å; V209-I220 HydrophobicContact CG2-CG1 3.82Å; P212-I220 HydrophobicContact CB-CD1 3.68Å; P212-I220 HydrophobicContact CG-CD1 3.98Å; Q216-I220 HydrophobicContact CB-CD1 4.29Å; Q216-I220 WeakPolarHBondContact O-CD1 3.04Å; Q216-I220 WeakPolarHBondContact O-CG1 3.3Å; Q216-I220 PolarHBondContact O-N 2.74Å; I220-K222 PolarHBondContact O-N 2.82Å
221	D	95.6	Very high	96.2	Very high	144 Å²	144	78 Å²	78	77%	0.77	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-63.2	118.6	166.7	-67.6	-41.2	0	0	0	109.5	N170 E219 H223	N170-D221 PolarHBondContact ND2-O 3.21Å; E219-D221 PolarHBondContact O-N 2.96Å; D221-H223 PolarHBondContact O-N 3.17Å
222	K	96.5	Very high	96.2	Very high	150 Å²	150	75.5 Å²	75.5	65%	0.652	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-71.2	129	175.9	-66.8	-178.9	-177.7	178.3	0	108.9	N170 T171 I220	N170-K222 WeakPolarHBondContact OD1-CA 2.94Å; T171-K222 HydrophobicContact CG2-CG 4.34Å; I220-K222 PolarHBondContact O-N 2.82Å
223	H	97.9	Very high	96.3	Very high	44 Å²	44	75 Å²	75	20%	0.204	36%	0.356	C	S	.	.			trans	-128.5	130.3	-178.7	-171.2	75.8	0	0	0	110.1	K169 N170 V206 D221 E229 Y231	K169-H223 CarbonylContact C-O 3.56Å; K169-H223 VanDerWaalsContact CA-O 3.22Å; K169-H223 WeakPolarHBondContact CA-O 3.39Å; N170-H223 PolarHBondContact N-O 3.35Å; N170-H223 PolarHBondContact OD1-N 3.33Å; V206-H223 HydrophobicContact CG1-CB 3.64Å; V206-H223 HydrophobicContact CG2-CB 4.31Å; D221-H223 PolarHBondContact O-N 3.17Å; H223-E229 IonicContact CD2-OE1 2.9Å; H223-E229 IonicContact CE1-OE1 3.74Å; H223-E229 PolarHBondContact CE1-OE1 3.04Å; H223-E229 IonicContact NE2-OE1 2.68Å; H223-E229 PolarHBondContact NE2-OE1 2.73Å; H223-E229 IonicContact NE2-OE2 2.74Å; H223-E229 PolarHBondContact NE2-OE2 2.84Å; H223-Y231 PolarHBondContact CD2-OH 2.98Å
224	E	98.1	Very high	96.5	Very high	101 Å²	101	72.5 Å²	72.5	47%	0.472	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-92	131.3	167.8	-69.8	-178.5	-165.4	0	0	108.2	K169	K169-E224 HydrophobicContact CD-CG 4.47Å; K169-E224 WeakPolarHBondContact CE-OE1 3.24Å; K169-E224 HydrophobicContact CG-CG 3.75Å; K169-E224 IonicContact NZ-OE1 3.41Å
225	F	97.9	Very high	96.8	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.018	30%	0.302	C	S	.	.			trans	-68.6	142.8	-173.6	-57	-69.9	0	0	0	112.3	M162 L163 P165 N168 N170 V173 I208 Y231 I332	M162-F225 WeakPolarHBondContact O-CD2 3.4Å; L163-F225 HydrophobicContact CD2-CD1 3.81Å; L163-F225 HydrophobicContact CD2-CD2 4.27Å; L163-F225 HydrophobicContact CD2-CE1 3.42Å; L163-F225 VanDerWaalsContact CD2-CE1 3.42Å; L163-F225 HydrophobicContact CD2-CE2 3.91Å; L163-F225 HydrophobicContact CD2-CG 4.21Å; L163-F225 HydrophobicContact CD2-CZ 3.46Å; L163-F225 VanDerWaalsContact CD2-CZ 3.46Å; P165-F225 WeakPolarHBondContact CA-O 3.25Å; P165-F225 WeakPolarHBondContact CB-O 3.49Å; N168-F225 HydrophobicContact CB-CD2 4.38Å; N168-F225 HydrophobicContact CB-CE2 4.46Å; N168-F225 WeakPolarHBondContact O-CD2 3.25Å; N170-F225 HydrophobicContact CB-CZ 4.27Å; V173-F225 HydrophobicContact CG2-CE2 3.74Å; V173-F225 HydrophobicContact CG2-CZ 3.77Å; I208-F225 HydrophobicContact CD1-CE1 4.02Å; I208-F225 HydrophobicContact CD1-CZ 3.9Å; I208-F225 HydrophobicContact CG1-CE1 4.47Å; I208-F225 HydrophobicContact CG1-CZ 4.29Å; F225-Y231 HydrophobicContact CD1-CE1 4.2Å; F225-Y231 AromaticContact CD1-CE2 3.79Å; F225-Y231 HydrophobicContact CD1-CE2 3.79Å; F225-Y231 AromaticContact CD1-CZ 3.55Å; F225-Y231 WeakPolarHBondContact CD1-OH 3.4Å; F225-Y231 AromaticContact CE1-CE1 3.96Å; F225-Y231 HydrophobicContact CE1-CE1 3.96Å; F225-Y231 HydrophobicContact CE1-CE2 4.31Å; F225-Y231 AromaticContact CE1-CZ 3.81Å; F225-I332 HydrophobicContact CB-CD1 4.02Å
226	E	97	Very high	96.9	Very high	120 Å²	120	58.4 Å²	58.4	56%	0.561	28%	0.275	S	S	*	.			trans	-120.1	157.5	-177.1	-64.8	-173.2	-172.3	0	0	112.6	E229 I332	E226-E229 HydrophobicContact CB-CG 4.1Å; E226-E229 PolarHBondContact N-OE2 3.26Å; E226-E229 WeakPolarHBondContact O-CG 3.26Å; E226-E229 PolarHBondContact O-N 3.12Å; E226-I332 WeakPolarHBondContact O-CG2 3.47Å
227	N	96.8	Very high	97.2	Very high	64 Å²	64	56.8 Å²	56.8	34%	0.342	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	146.4	169	-74.7	-45.8	0	0	0	109.9	E229	N227-E229 VanDerWaalsContact C-N 3.26Å; N227-E229 PolarHBondContact O-N 3.13Å
228	Y	97.2	Very high	97.4	Very high	96 Å²	96	50.8 Å²	50.8	38%	0.376	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	13.1	179.7	-42.7	-65.7	0	0	0	116.2	I19 A20 I332 L333 P334	I19-Y228 VanDerWaalsContact CG1-CA 3.43Å; I19-Y228 HydrophobicContact CG1-CD1 4.31Å; I19-Y228 VanDerWaalsContact CG1-O 3.29Å; I19-Y228 WeakPolarHBondContact CG1-O 3.49Å; A20-Y228 VanDerWaalsContact CA-CE1 3.49Å; A20-Y228 HydrophobicContact CB-CD1 3.64Å; A20-Y228 HydrophobicContact CB-CD2 4.04Å; A20-Y228 HydrophobicContact CB-CE1 3.69Å; A20-Y228 HydrophobicContact CB-CE2 4.11Å; A20-Y228 HydrophobicContact CB-CG 3.79Å; A20-Y228 VanDerWaalsContact N-CD1 3.34Å; Y228-I332 WeakPolarHBondContact CA-O 3.41Å; Y228-I332 PolarHBondContact N-O 3.42Å; Y228-L333 HydrophobicContact CD1-CD2 4.12Å; Y228-L333 HydrophobicContact CE1-CD2 4.33Å; Y228-P334 HydrophobicContact CE1-CG 3.96Å; Y228-P334 WeakPolarHBondContact OH-CG 3.25Å
229	E	97.8	Very high	97.6	Very high	17 Å²	17	44.2 Å²	44.2	8%	0.079	21%	0.211	C	C	.	.			trans	-84	153.4	165.5	-59.7	-173.2	133.5	0	0	111.8	I19 H223 E226 N227 Y231 I332	I19-E229 WeakPolarHBondContact CD1-O 3.39Å; H223-E229 IonicContact CD2-OE1 2.9Å; H223-E229 IonicContact CE1-OE1 3.74Å; H223-E229 PolarHBondContact CE1-OE1 3.04Å; H223-E229 IonicContact NE2-OE1 2.68Å; H223-E229 PolarHBondContact NE2-OE1 2.73Å; H223-E229 IonicContact NE2-OE2 2.74Å; H223-E229 PolarHBondContact NE2-OE2 2.84Å; E226-E229 HydrophobicContact CB-CG 4.1Å; E226-E229 PolarHBondContact N-OE2 3.26Å; E226-E229 WeakPolarHBondContact O-CG 3.26Å; E226-E229 PolarHBondContact O-N 3.12Å; N227-E229 VanDerWaalsContact C-N 3.26Å; N227-E229 PolarHBondContact O-N 3.13Å; E229-Y231 HydrophobicContact CB-CD2 4.2Å; E229-Y231 HydrophobicContact CB-CE2 3.5Å; E229-Y231 VanDerWaalsContact CB-CE2 3.5Å; E229-Y231 VanDerWaalsContact CD-OH 3.26Å; E229-Y231 HydrophobicContact CG-CE2 4.37Å; E229-Y231 PolarHBondContact OE1-OH 3.34Å; E229-Y231 VanDerWaalsContact OE2-CE2 3.26Å; E229-Y231 WeakPolarHBondContact OE2-CE2 3.26Å; E229-Y231 PolarHBondContact OE2-OH 3.39Å; E229-I332 HydrophobicContact CB-CD1 4.18Å; E229-I332 PolarHBondContact O-N 3.19Å
230	V	98.6	Very high	97.8	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.6	175.8	-177.5	0	0	0	0	108	I19 S196 L197 T329 V330 L331	I19-V230 HydrophobicContact CB-CG2 4.47Å; I19-V230 HydrophobicContact CD1-CG2 3.92Å; I19-V230 HydrophobicContact CG1-CG2 4.11Å; I19-V230 HydrophobicContact CG2-CG2 3.57Å; S196-V230 CarbonylContact C-O 3.57Å; S196-V230 VanDerWaalsContact CA-O 3.28Å; S196-V230 WeakPolarHBondContact CA-O 3.18Å; L197-V230 HydrophobicContact CB-CB 4.28Å; L197-V230 HydrophobicContact CB-CG1 4.05Å; L197-V230 HydrophobicContact CD1-CG1 3.98Å; L197-V230 HydrophobicContact CG-CG1 4.36Å; L197-V230 PolarHBondContact N-O 3.03Å; V230-T329 HydrophobicContact CG1-CG2 3.79Å; V230-V330 WeakPolarHBondContact CA-O 3.44Å; V230-L331 HydrophobicContact CB-CD2 4.27Å; V230-L331 HydrophobicContact CG1-CD2 3.72Å; V230-L331 HydrophobicContact CG2-CD2 3.66Å
231	Y	98.8	Very high	98	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.7	-179.9	-72.4	-92.6	0	0	0	111.6	L163 Y195 V206 H223 F225 E229 I233 T329 V330 I332	L163-Y231 HydrophobicContact CD1-CD2 4.32Å; L163-Y231 HydrophobicContact CD1-CG 4.33Å; L163-Y231 HydrophobicContact CD2-CG 4.5Å; Y195-Y231 WeakPolarHBondContact O-CA 3.2Å; V206-Y231 HydrophobicContact CB-CE1 3.95Å; V206-Y231 HydrophobicContact CG1-CE1 3.78Å; H223-Y231 PolarHBondContact CD2-OH 2.98Å; F225-Y231 HydrophobicContact CD1-CE1 4.2Å; F225-Y231 AromaticContact CD1-CE2 3.79Å; F225-Y231 HydrophobicContact CD1-CE2 3.79Å; F225-Y231 AromaticContact CD1-CZ 3.55Å; F225-Y231 WeakPolarHBondContact CD1-OH 3.4Å; F225-Y231 AromaticContact CE1-CE1 3.96Å; F225-Y231 HydrophobicContact CE1-CE1 3.96Å; F225-Y231 HydrophobicContact CE1-CE2 4.31Å; F225-Y231 AromaticContact CE1-CZ 3.81Å; E229-Y231 HydrophobicContact CB-CD2 4.2Å; E229-Y231 HydrophobicContact CB-CE2 3.5Å; E229-Y231 VanDerWaalsContact CB-CE2 3.5Å; E229-Y231 VanDerWaalsContact CD-OH 3.26Å; E229-Y231 HydrophobicContact CG-CE2 4.37Å; E229-Y231 PolarHBondContact OE1-OH 3.34Å; E229-Y231 VanDerWaalsContact OE2-CE2 3.26Å; E229-Y231 WeakPolarHBondContact OE2-CE2 3.26Å; E229-Y231 PolarHBondContact OE2-OH 3.39Å; Y231-I233 HydrophobicContact CD1-CD1 4.29Å; Y231-I233 HydrophobicContact CG-CD1 4.23Å; Y231-T329 CarbonylContact O-C 3.57Å; Y231-T329 VanDerWaalsContact O-CA 3.25Å; Y231-T329 WeakPolarHBondContact O-CA 3.38Å; Y231-V330 PolarHBondContact N-O 3.43Å; Y231-V330 PolarHBondContact O-N 3.19Å; Y231-I332 HydrophobicContact CD2-CD1 3.81Å; Y231-I332 HydrophobicContact CD2-CG1 4.36Å; Y231-I332 HydrophobicContact CE2-CD1 3.64Å
232	A	98.8	Very high	98.2	Very high	3 Å²	3	35.4 Å²	35.4	3%	0.025	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	101.3	157.9	0	0	0	0	0	108.1	S194 Y195 L197	S194-A232 WeakPolarHBondContact CA-O 3.25Å; S194-A232 WeakPolarHBondContact CB-O 3.38Å; Y195-A232 PolarHBondContact N-O 3.39Å; Y195-A232 PolarHBondContact O-N 2.87Å; L197-A232 HydrophobicContact CD1-CB 4.08Å; L197-A232 HydrophobicContact CD2-CB 3.92Å; L197-A232 HydrophobicContact CG-CB 4.15Å
233	I	98.8	Very high	98.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.8	177.5	-56.1	-54.9	0	0	0	109.1	L156 A159 L163 S194 I208 Y231 K327 T328 V330	L156-I233 HydrophobicContact CD1-CB 4.16Å; L156-I233 HydrophobicContact CD1-CG2 3.66Å; L156-I233 WeakPolarHBondContact CD1-O 3.02Å; A159-I233 HydrophobicContact CB-CG2 3.96Å; L163-I233 HydrophobicContact CD1-CD1 3.84Å; L163-I233 HydrophobicContact CD1-CG1 3.53Å; L163-I233 HydrophobicContact CD2-CD1 3.92Å; L163-I233 HydrophobicContact CD2-CG1 4.45Å; L163-I233 HydrophobicContact CG-CD1 4.34Å; L163-I233 HydrophobicContact CG-CG1 4.33Å; S194-I233 WeakPolarHBondContact OG-CA 3.47Å; I208-I233 HydrophobicContact CD1-CD1 3.58Å; Y231-I233 HydrophobicContact CD1-CD1 4.29Å; Y231-I233 HydrophobicContact CG-CD1 4.23Å; I233-K327 CarbonylContact O-C 3.53Å; I233-K327 WeakPolarHBondContact O-CA 3.35Å; I233-K327 WeakPolarHBondContact O-CG 3.33Å; I233-T328 PolarHBondContact N-O 3.32Å; I233-T328 PolarHBondContact O-N 3.02Å; I233-V330 HydrophobicContact CG1-CG2 4.22Å
234	G	98.5	Very high	98.2	Very high	5 Å²	5	30.8 Å²	30.8	5%	0.052	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.9	175	0	0	0	0	0	111.4	S194 F326	S194-G234 PolarHBondContact OG-N 3.28Å; S194-G234 PolarHBondContact OG-O 2.9Å; S194-G234 VanDerWaalsContact OG-O 3.09Å; G234-F326 CarbonylContact C-O 3.56Å; G234-F326 WeakPolarHBondContact CA-O 3.29Å
235	V	98.8	Very high	98.2	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.9	173.5	-61.5	0	0	0	0	109.6	A152 A155 L156 V177 H325 F326	A152-V235 HydrophobicContact CB-CG2 4.3Å; A152-V235 VanDerWaalsContact O-CG2 3.28Å; A152-V235 WeakPolarHBondContact O-CG2 3.47Å; A155-V235 HydrophobicContact CB-CG1 4.29Å; L156-V235 HydrophobicContact CB-CG1 4.41Å; L156-V235 HydrophobicContact CB-CG2 3.83Å; L156-V235 HydrophobicContact CD1-CG1 4.42Å; V177-V235 HydrophobicContact CG1-CG1 4.21Å; V177-V235 HydrophobicContact CG2-CG1 3.92Å; V235-H325 VanDerWaalsContact O-CA 3.3Å; V235-H325 WeakPolarHBondContact O-CA 3.36Å; V235-H325 PolarHBondContact O-ND1 2.88Å; V235-F326 HydrophobicContact CG2-CB 4.32Å; V235-F326 PolarHBondContact N-O 3.46Å; V235-F326 PolarHBondContact O-N 3.07Å
236	Y	98.9	Very high	98.1	Very high	8 Å²	8	37.1 Å²	37.1	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	112.8	177.4	-64.1	-101.2	0	0	0	108.9	C93 E115 V189 M192 Q210 V324 H325	C93-Y236 HydrophobicContact CB-CE1 3.93Å; E115-Y236 PolarHBondContact OE2-OH 2.93Å; V189-Y236 WeakPolarHBondContact CG2-O 3.45Å; V189-Y236 PolarHBondContact N-O 3.45Å; M192-Y236 HydrophobicContact CB-CD2 3.56Å; M192-Y236 HydrophobicContact CB-CE2 4.04Å; M192-Y236 HydrophobicContact CB-CG 4.27Å; M192-Y236 HydrophobicContact CG-CD2 3.66Å; M192-Y236 HydrophobicContact CG-CE2 4.26Å; M192-Y236 HydrophobicContact CG-CG 3.88Å; M192-Y236 HydrophobicContact SD-CD2 4.14Å; M192-Y236 HydrophobicContact SD-CE2 4.24Å; M192-Y236 HydrophobicContact SD-CG 4.28Å; Q210-Y236 PolarHBondContact NE2-O 2.92Å; Y236-V324 CarbonylContact C-O 3.5Å; Y236-V324 VanDerWaalsContact CA-O 3.31Å; Y236-V324 WeakPolarHBondContact CA-O 3.26Å; Y236-H325 HydrophobicContact CD1-CB 3.69Å; Y236-H325 AromaticContact CD1-CG 3.68Å; Y236-H325 AromaticContact CD1-ND1 3.54Å; Y236-H325 AromaticContact CD2-ND1 3.63Å; Y236-H325 HydrophobicContact CE1-CB 3.76Å; Y236-H325 AromaticContact CE1-CD2 3.81Å; Y236-H325 AromaticContact CE1-CE1 3.69Å; Y236-H325 AromaticContact CE1-CG 3.33Å; Y236-H325 AromaticContact CE1-ND1 3.28Å; Y236-H325 VanDerWaalsContact CE1-ND1 3.28Å; Y236-H325 WeakPolarHBondContact CE1-ND1 3.37Å; Y236-H325 AromaticContact CE2-CE1 3.38Å; Y236-H325 WeakPolarHBondContact CE2-CE1 3.36Å; Y236-H325 AromaticContact CE2-ND1 3.4Å; Y236-H325 WeakPolarHBondContact CE2-ND1 3.45Å; Y236-H325 HydrophobicContact CG-CB 4.42Å; Y236-H325 AromaticContact CG-ND1 3.71Å; Y236-H325 AromaticContact CZ-CD2 3.93Å; Y236-H325 AromaticContact CZ-CE1 3.16Å; Y236-H325 AromaticContact CZ-CG 3.68Å; Y236-H325 AromaticContact CZ-ND1 3.21Å; Y236-H325 AromaticContact CZ-NE2 3.67Å; Y236-H325 PolarHBondContact OH-CE1 2.85Å; Y236-H325 VanDerWaalsContact OH-CE1 3.24Å; Y236-H325 PolarHBondContact OH-NE2 3.28Å
237	I	98.9	Very high	97.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.4	-178.1	-57	-51.9	0	0	0	109.4	A148 A151 A152 V177 A181 C186 R187 A188 V323 V324	A148-I237 HydrophobicContact CB-CG2 4.46Å; A151-I237 HydrophobicContact CB-CG1 4.48Å; A151-I237 HydrophobicContact CB-CG2 3.93Å; A152-I237 HydrophobicContact CB-CB 4.02Å; A152-I237 HydrophobicContact CB-CG1 3.62Å; V177-I237 HydrophobicContact CG1-CD1 4.25Å; A181-I237 HydrophobicContact CB-CD1 3.74Å; A181-I237 HydrophobicContact CB-CG2 4.35Å; C186-I237 HydrophobicContact CB-CG2 3.35Å; R187-I237 WeakPolarHBondContact O-CA 3.28Å; A188-I237 HydrophobicContact CB-CD1 4.12Å; I237-V323 CarbonylContact O-C 3.56Å; I237-V323 WeakPolarHBondContact O-CA 3.46Å; I237-V324 PolarHBondContact N-O 3.27Å; I237-V324 PolarHBondContact O-N 3.46Å
238	S	98.9	Very high	97.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	142.6	175.9	179.9	0	0	0	0	110.6	C186 R187 G240 E317 V322	C186-S238 WeakPolarHBondContact CB-O 3.29Å; R187-S238 PolarHBondContact N-O 3.38Å; R187-S238 PolarHBondContact O-N 2.92Å; S238-G240 WeakPolarHBondContact OG-CA 3.23Å; S238-G240 PolarHBondContact OG-N 3.49Å; S238-E317 WeakPolarHBondContact OG-CG 3.14Å; S238-E317 PolarHBondContact OG-OE2 3.04Å; S238-V322 WeakPolarHBondContact CA-O 3.28Å
239	T	98.8	Very high	97	Very high	18 Å²	18	34.5 Å²	34.5	11%	0.11	19%	0.189	C	C	.	.	S	Bend	trans	-73.7	-14.4	165.2	61.2	0	0	0	0	112.9	R144 A148 V322	R144-T239 HydrophobicContact CB-CG2 3.91Å; R144-T239 PolarHBondContact NH2-O 2.62Å; R144-T239 WeakPolarHBondContact O-CG2 3.5Å; A148-T239 HydrophobicContact CB-CG2 3.78Å; T239-V322 HydrophobicContact CG2-CB 4.07Å; T239-V322 PolarHBondContact N-O 3.29Å; T239-V322 PolarHBondContact OG1-N 3.33Å
240	G	98.4	Very high	96.8	Very high	13 Å²	13	37.4 Å²	37.4	13%	0.134	20%	0.199	C	C	.	.	S	Bend	trans	-98.7	-140.5	-178.5	0	0	0	0	0	113.6	R187 S238 D321	R187-G240 WeakPolarHBondContact CG-O 3.3Å; S238-G240 WeakPolarHBondContact OG-CA 3.23Å; S238-G240 PolarHBondContact OG-N 3.49Å; G240-D321 VanDerWaalsContact CA-CG 3.46Å; G240-D321 WeakPolarHBondContact CA-OD1 3.43Å
241	E	97.9	Very high	96.7	Very high	90 Å²	90	37.4 Å²	37.4	42%	0.421	20%	0.199	S	C	.	.			trans	-82.6	-15.2	-174.4	-74.9	-179.1	-156.2	0	0	113.8	R211 K243 E317 R318	R211-E241 PolarHBondContact NH1-O 3.1Å; E241-K243 VanDerWaalsContact C-N 3.35Å; E241-K243 HydrophobicContact CB-CG 4.3Å; E241-E317 PolarHBondContact N-OE2 2.73Å; E241-E317 VanDerWaalsContact N-OE2 3.15Å; E241-R318 IonicContact OE1-CZ 3.47Å; E241-R318 IonicContact OE1-NH1 2.97Å; E241-R318 PolarHBondContact OE1-NH1 3.46Å; E241-R318 IonicContact OE1-NH2 4Å; E241-R318 PolarHBondContact OE1-NH2 2.91Å
242	G	98.2	Very high	96.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	65.3	39.7	-175.9	0	0	0	0	0	111.8	E190 R211 E317	E190-G242 WeakPolarHBondContact CB-O 3.42Å; E190-G242 WeakPolarHBondContact CG-O 3.41Å; E190-G242 PolarHBondContact N-O 3.35Å; R211-G242 PolarHBondContact NH1-O 2.89Å; G242-E317 VanDerWaalsContact C-OE1 3.25Å; G242-E317 WeakPolarHBondContact CA-OE1 3.37Å; G242-E317 PolarHBondContact N-OE1 2.75Å; G242-E317 PolarHBondContact N-OE2 3.08Å; G242-E317 VanDerWaalsContact N-OE2 3.09Å
243	K	97.8	Very high	96.7	Very high	86 Å²	86	37.4 Å²	37.4	37%	0.374	20%	0.198	S	C	.	.			trans	-125.7	55.3	-180	-64.7	-169.3	172.1	174	0	110.1	E241 K245 E317	E241-K243 VanDerWaalsContact C-N 3.35Å; E241-K243 HydrophobicContact CB-CG 4.3Å; K243-K245 WeakPolarHBondContact O-CG 3.05Å; K243-K245 PolarHBondContact O-N 3.28Å; K243-E317 PolarHBondContact N-OE1 3.28Å
244	A	97.8	Very high	96.7	Very high	12 Å²	12	37.5 Å²	37.5	10%	0.099	20%	0.199	C	C	.	.			trans	-64.1	132.1	-174.9	0	0	0	0	0	111	A92 V189 L315 Y316 E317	A92-A244 HydrophobicContact CB-CB 3.92Å; V189-A244 HydrophobicContact CG1-CB 3.76Å; A244-L315 HydrophobicContact CB-CB 3.89Å; A244-Y316 CarbonylContact C-O 3.53Å; A244-Y316 WeakPolarHBondContact CA-O 3.48Å; A244-E317 HydrophobicContact CB-CG 4.5Å; A244-E317 PolarHBondContact N-OE1 3.35Å; A244-E317 VanDerWaalsContact N-OE1 3.1Å
245	K	97.5	Very high	96.7	Very high	136 Å²	136	37.7 Å²	37.7	59%	0.591	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	156.9	-174.1	-70.7	168.6	-169.7	177.6	0	111.7	K243 L315 Y316	K243-K245 WeakPolarHBondContact O-CG 3.05Å; K243-K245 PolarHBondContact O-N 3.28Å; K245-L315 CarbonylContact O-C 3.54Å; K245-L315 WeakPolarHBondContact O-CA 3.36Å; K245-Y316 PolarHBondContact N-O 2.85Å; K245-Y316 PolarHBondContact O-N 2.98Å
246	Q	96.3	Very high	96.6	Very high	101 Å²	101	39.9 Å²	39.9	47%	0.472	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	140.5	169.7	-169.6	174.1	16.3	0	0	110.3	L315	Q246-L315 HydrophobicContact CB-CD2 4.42Å
247	S	87.6	Confident	96.5	Very high	80 Å²	80	41.3 Å²	41.3	56%	0.559	22%	0.215	S	C	*	.			trans	-128.9	-130.9	178.2	-172.3	0	0	0	0	110
248	S	85.6	Confident	96.1	Very high	105 Å²	105	44.1 Å²	44.1	73%	0.734	23%	0.228	S	C	*	.	S	Bend	trans	-78.9	-29.8	-169.6	55.9	0	0	0	0	115.2
249	N	93.5	Very high	95.9	Very high	41 Å²	41	50.6 Å²	50.6	22%	0.219	26%	0.262	C	S	.	.	S	Bend	trans	-74.4	139.3	-176.2	-64	93.1	0	0	0	112.3	V314 Y316	N249-V314 HydrophobicContact CB-CB 4.38Å; N249-V314 HydrophobicContact CB-CG2 4.35Å; N249-Y316 PolarHBondContact OD1-OH 3.08Å
250	R	94.1	Very high	95.7	Very high	77 Å²	77	52.5 Å²	52.5	29%	0.291	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-65.2	158.7	174.6	84.2	-179.1	-71.8	108.1	6.7	110.3	E101 T252	E101-R250 WeakPolarHBondContact OE1-CD 3.4Å; E101-R250 WeakPolarHBondContact OE1-CG 3.48Å; R250-T252 HydrophobicContact CG-CG2 3.58Å
251	T	97.7	Very high	95.5	Very high	8 Å²	8	58.6 Å²	58.6	5%	0.049	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-78.4	126.5	164.3	-57.4	0	0	0	0	110.2	V253 Y254 P311 F312 H313	T251-V253 WeakPolarHBondContact CG2-O 3.47Å; T251-Y254 WeakPolarHBondContact CB-OH 3.46Å; T251-Y254 HydrophobicContact CG2-CE1 3.98Å; T251-Y254 HydrophobicContact CG2-CE2 4.03Å; T251-Y254 WeakPolarHBondContact O-CE2 3.41Å; T251-Y254 PolarHBondContact O-OH 2.87Å; T251-P311 HydrophobicContact CG2-CB 3.84Å; T251-F312 WeakPolarHBondContact CG2-O 3.44Å; T251-H313 PolarHBondContact OG1-ND1 3Å
252	T	98.2	Very high	95.4	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.012	30%	0.3	C	S	.	.			trans	-115.9	-16.9	177.2	58.9	0	0	0	0	112.5	S96 L98 R250 T286 L287	S96-T252 VanDerWaalsContact O-CB 3.31Å; S96-T252 WeakPolarHBondContact O-CB 2.83Å; S96-T252 PolarHBondContact O-OG1 2.67Å; L98-T252 HydrophobicContact CD1-CG2 4.43Å; L98-T252 HydrophobicContact CD2-CG2 4.39Å; L98-T252 HydrophobicContact CG-CG2 3.87Å; R250-T252 HydrophobicContact CG-CG2 3.58Å; T252-T286 CarbonylContact O-C 3.51Å; T252-T286 VanDerWaalsContact O-CA 3.31Å; T252-T286 WeakPolarHBondContact O-CA 3.36Å; T252-L287 WeakPolarHBondContact O-CG 3.36Å; T252-L287 PolarHBondContact O-N 3.47Å
253	V	98.7	Very high	95.3	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.2	-178	-177.3	0	0	0	0	110.4	F82 P83 T251 F285 F312	F82-V253 HydrophobicContact CE1-CG1 4.37Å; F82-V253 HydrophobicContact CE2-CG1 3.78Å; F82-V253 HydrophobicContact CZ-CG1 3.68Å; P83-V253 HydrophobicContact CG-CB 4.4Å; P83-V253 HydrophobicContact CG-CG1 3.66Å; P83-V253 HydrophobicContact CG-CG2 3.89Å; T251-V253 WeakPolarHBondContact CG2-O 3.47Å; V253-F285 WeakPolarHBondContact CA-O 3.15Å; V253-F312 HydrophobicContact CB-CB 3.99Å; V253-F312 HydrophobicContact CG1-CB 3.93Å; V253-F312 HydrophobicContact CG1-CD2 4.05Å; V253-F312 HydrophobicContact CG1-CG 4.16Å; V253-F312 PolarHBondContact O-N 3.08Å
254	Y	98.6	Very high	95.3	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.016	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	160.1	-176.9	-59.5	-96.8	0	0	0	109.7	T251 G284 F285 L287 V300 E304 L309 K310 P311	T251-Y254 WeakPolarHBondContact CB-OH 3.46Å; T251-Y254 HydrophobicContact CG2-CE1 3.98Å; T251-Y254 HydrophobicContact CG2-CE2 4.03Å; T251-Y254 WeakPolarHBondContact O-CE2 3.41Å; T251-Y254 PolarHBondContact O-OH 2.87Å; Y254-G284 CarbonylContact O-C 3.54Å; Y254-G284 WeakPolarHBondContact O-CA 3.38Å; Y254-F285 HydrophobicContact CD2-CE2 4.44Å; Y254-F285 HydrophobicContact CG-CZ 4.33Å; Y254-F285 PolarHBondContact N-O 3.08Å; Y254-F285 WeakPolarHBondContact O-CD1 3.31Å; Y254-F285 WeakPolarHBondContact O-CE1 3.5Å; Y254-F285 PolarHBondContact O-N 3.37Å; Y254-L287 HydrophobicContact CD2-CD2 4.31Å; Y254-L287 HydrophobicContact CD2-CG 4.14Å; Y254-L287 HydrophobicContact CE2-CD1 3.78Å; Y254-L287 HydrophobicContact CE2-CD2 4.24Å; Y254-L287 HydrophobicContact CE2-CG 3.8Å; Y254-V300 HydrophobicContact CD1-CG2 4Å; Y254-V300 HydrophobicContact CD2-CG2 4.06Å; Y254-V300 HydrophobicContact CE1-CG2 3.73Å; Y254-V300 HydrophobicContact CE2-CG2 3.83Å; Y254-V300 HydrophobicContact CG-CG2 4.17Å; Y254-E304 WeakPolarHBondContact CE1-OE2 3.32Å; Y254-L309 HydrophobicContact CD1-CB 4.22Å; Y254-K310 CarbonylContact C-O 3.46Å; Y254-K310 VanDerWaalsContact CA-O 3.3Å; Y254-K310 WeakPolarHBondContact CA-O 3.45Å; Y254-P311 HydrophobicContact CD1-CB 4.04Å; Y254-P311 HydrophobicContact CE1-CB 3.89Å
255	K	97.9	Very high	95.2	Very high	9 Å²	9	67.1 Å²	67.1	4%	0.039	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	161.9	157.3	82.4	152	-160.7	163.6	0	110.3	I202 D203 E258 L309 K310 F312	I202-K255 HydrophobicContact CG2-CD 4.39Å; D203-K255 WeakPolarHBondContact OD1-CE 3.18Å; D203-K255 IonicContact OD1-NZ 3.58Å; D203-K255 PolarHBondContact OD1-NZ 3.01Å; D203-K255 WeakPolarHBondContact OD2-CE 3.45Å; D203-K255 IonicContact OD2-NZ 3.81Å; D203-K255 PolarHBondContact OD2-NZ 3.06Å; K255-E258 IonicContact NZ-OE1 3.64Å; K255-E258 PolarHBondContact NZ-OE1 2.75Å; K255-L309 CarbonylContact O-C 3.58Å; K255-L309 VanDerWaalsContact O-CA 3.24Å; K255-L309 WeakPolarHBondContact O-CA 3.26Å; K255-K310 HydrophobicContact CG-CB 4.15Å; K255-K310 PolarHBondContact N-O 3.03Å; K255-K310 PolarHBondContact O-N 3.15Å; K255-F312 HydrophobicContact CB-CE2 3.86Å; K255-F312 HydrophobicContact CB-CZ 4.45Å; K255-F312 HydrophobicContact CG-CE2 3.91Å; K255-F312 HydrophobicContact CG-CZ 4.23Å
256	R	97.3	Very high	95.2	Very high	47 Å²	47	65.4 Å²	65.4	18%	0.177	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	140.4	171	-176.2	177.1	170.7	-177.9	0.4	111.3	F273 D277 G281 F282 L309	R256-F273 HydrophobicContact CG-CE2 4.39Å; R256-F273 HydrophobicContact CG-CZ 4.26Å; R256-D277 IonicContact CZ-OD1 2.86Å; R256-D277 IonicContact NH1-OD1 3.71Å; R256-D277 PolarHBondContact NH1-OD1 3.35Å; R256-D277 IonicContact NH1-OD2 3.44Å; R256-G281 WeakPolarHBondContact CB-O 3.43Å; R256-F282 HydrophobicContact CB-CD1 4.06Å; R256-F282 HydrophobicContact CG-CD1 4.01Å; R256-F282 HydrophobicContact CG-CE1 4.09Å; R256-L309 HydrophobicContact CB-CD2 4.41Å
257	N	96.1	Very high	95.2	Very high	39 Å²	39	68.7 Å²	68.7	21%	0.209	35%	0.348	C	S	.	.			trans	-83.4	125.1	168.4	-166.1	-20.8	0	0	0	109.5	D259 I260 N307 L308	N257-D259 PolarHBondContact OD1-N 2.97Å; N257-D259 VanDerWaalsContact OD1-N 3.12Å; N257-I260 HydrophobicContact CB-CB 4.36Å; N257-I260 HydrophobicContact CB-CG1 4.25Å; N257-I260 WeakPolarHBondContact ND2-CG1 3.15Å; N257-N307 WeakPolarHBondContact CB-O 3.23Å; N257-N307 PolarHBondContact ND2-O 2.77Å; N257-N307 VanDerWaalsContact ND2-O 3.13Å; N257-L308 PolarHBondContact N-O 3Å
258	E	92.4	Very high	95.5	Very high	59 Å²	59	66.8 Å²	66.8	28%	0.276	34%	0.337	S	S	.	.	S	Bend	trans	-75.2	-29.7	-177.8	-71	154.7	-120.1	0	0	111.9	K201 K255 F282	K201-E258 IonicContact NZ-OE1 2.72Å; K201-E258 IonicContact NZ-OE2 3.65Å; K201-E258 PolarHBondContact NZ-OE2 2.9Å; K255-E258 IonicContact NZ-OE1 3.64Å; K255-E258 PolarHBondContact NZ-OE1 2.75Å; E258-F282 HydrophobicContact CB-CD1 4.42Å; E258-F282 HydrophobicContact CB-CE1 4.22Å; E258-F282 HydrophobicContact CG-CB 4.45Å; E258-F282 HydrophobicContact CG-CD1 3.33Å; E258-F282 HydrophobicContact CG-CD2 4.49Å; E258-F282 HydrophobicContact CG-CE1 3.53Å; E258-F282 HydrophobicContact CG-CG 3.86Å; E258-F282 HydrophobicContact CG-CZ 4.21Å
259	D	93.6	Very high	96.1	Very high	135 Å²	135	61.8 Å²	61.8	72%	0.722	30%	0.302	S	S	*	.	S	Bend	trans	-92.9	-6.6	-168.4	-55.1	-46.9	0	0	0	113.1	N257	N257-D259 PolarHBondContact OD1-N 2.97Å; N257-D259 VanDerWaalsContact OD1-N 3.12Å
260	I	95.6	Very high	96.3	Very high	58 Å²	58	65.5 Å²	65.5	30%	0.297	31%	0.313	S	S	.	.			trans	-110.8	123.6	-174	-56.1	-62	0	0	0	110.5	N257 H306 N307 L308	N257-I260 HydrophobicContact CB-CB 4.36Å; N257-I260 HydrophobicContact CB-CG1 4.25Å; N257-I260 WeakPolarHBondContact ND2-CG1 3.15Å; I260-H306 WeakPolarHBondContact CG2-O 3.24Å; I260-N307 HydrophobicContact CG1-CB 4.36Å; I260-L308 HydrophobicContact CG2-CD2 4.06Å; I260-L308 HydrophobicContact CG2-CG 4.46Å; I260-L308 WeakPolarHBondContact O-CD2 3.33Å
261	V	93.7	Very high	96.4	Very high	142 Å²	142	64.8 Å²	64.8	86%	0.861	32%	0.323	S	S	*	.			trans	-115.3	121.8	171.5	-177.5	0	0	0	0	108.5
262	Y	95.4	Very high	96.4	Very high	79 Å²	79	64.9 Å²	64.9	31%	0.31	32%	0.323	S	S	.	.			trans	-144	137.8	-179.9	178.5	-98.7	0	0	0	111.3	L264 H306 L308	Y262-L264 HydrophobicContact CD1-CD2 4.11Å; Y262-L264 HydrophobicContact CD1-CG 4.42Å; Y262-L264 HydrophobicContact CE1-CD2 4.29Å; Y262-L264 PolarHBondContact O-N 2.9Å; Y262-H306 HydrophobicContact CD1-CB 3.66Å; Y262-H306 AromaticContact CD1-CD2 3.98Å; Y262-H306 AromaticContact CD1-CG 3.72Å; Y262-H306 HydrophobicContact CD2-CB 4.31Å; Y262-H306 HydrophobicContact CE1-CB 3.92Å; Y262-H306 AromaticContact CE1-CD2 3.31Å; Y262-H306 WeakPolarHBondContact CE1-CD2 3.49Å; Y262-H306 AromaticContact CE1-CG 3.42Å; Y262-H306 VanDerWaalsContact CE1-CG 3.42Å; Y262-H306 AromaticContact CE1-ND1 3.87Å; Y262-H306 AromaticContact CE1-NE2 3.72Å; Y262-H306 AromaticContact CE2-CE1 3.84Å; Y262-H306 AromaticContact CE2-CG 3.96Å; Y262-H306 AromaticContact CE2-ND1 3.59Å; Y262-H306 HydrophobicContact CG-CB 3.87Å; Y262-H306 AromaticContact CZ-CD2 3.56Å; Y262-H306 AromaticContact CZ-CE1 3.42Å; Y262-H306 VanDerWaalsContact CZ-CE1 3.42Å; Y262-H306 AromaticContact CZ-CG 3.55Å; Y262-H306 AromaticContact CZ-ND1 3.47Å; Y262-H306 AromaticContact CZ-NE2 3.49Å; Y262-H306 PolarHBondContact OH-CE1 3.44Å; Y262-H306 PolarHBondContact OH-NE2 2.86Å; Y262-H306 VanDerWaalsContact OH-NE2 3.13Å; Y262-L308 HydrophobicContact CD1-CD1 4.11Å
263	Q	96.6	Very high	96.4	Very high	145 Å²	145	66.3 Å²	66.3	68%	0.678	33%	0.33	S	S	*	.			trans	-88.7	94.6	180	-168	-170	21.6	0	0	111.2	K265	Q263-K265 WeakPolarHBondContact O-CD 3.46Å; Q263-K265 WeakPolarHBondContact O-CE 3.49Å; Q263-K265 PolarHBondContact O-N 3.4Å
264	L	97.2	Very high	96.3	Very high	13 Å²	13	70.1 Å²	70.1	7%	0.068	36%	0.356	C	S	.	.			trans	-55.1	131.4	178.1	-68.3	168	0	0	0	113.1	Y262 R270 F273 E302 L308	Y262-L264 HydrophobicContact CD1-CD2 4.11Å; Y262-L264 HydrophobicContact CD1-CG 4.42Å; Y262-L264 HydrophobicContact CE1-CD2 4.29Å; Y262-L264 PolarHBondContact O-N 2.9Å; L264-R270 HydrophobicContact CB-CG 3.71Å; L264-R270 WeakPolarHBondContact O-CD 3.33Å; L264-R270 PolarHBondContact O-NH1 2.93Å; L264-F273 HydrophobicContact CD1-CB 3.52Å; L264-F273 HydrophobicContact CD1-CD1 4.39Å; L264-F273 HydrophobicContact CD1-CD2 4.3Å; L264-F273 HydrophobicContact CD1-CG 3.83Å; L264-E302 HydrophobicContact CD2-CB 4.25Å; L264-E302 HydrophobicContact CD2-CG 3.7Å; L264-L308 HydrophobicContact CD1-CD1 4.12Å; L264-L308 HydrophobicContact CD2-CD1 3.72Å; L264-L308 HydrophobicContact CG-CD1 3.81Å
265	K	96.5	Very high	96.2	Very high	130 Å²	130	71.9 Å²	71.9	57%	0.565	37%	0.366	S	S	*	.			trans	-91.2	-36.8	-173.8	-56.4	-55.5	179.9	-171	0	112.7	Q263 R270 E302	Q263-K265 WeakPolarHBondContact O-CD 3.46Å; Q263-K265 WeakPolarHBondContact O-CE 3.49Å; Q263-K265 PolarHBondContact O-N 3.4Å; K265-R270 PolarHBondContact O-NH1 2.78Å; K265-E302 PolarHBondContact N-OE1 3.06Å
266	M	96	Very high	96.2	Very high	99 Å²	99	71.5 Å²	71.5	49%	0.488	36%	0.364	S	S	.	.	S	Bend	trans	-80.7	139.8	179.4	-55.7	176.6	62.2	0	0	111.7	A268 S269 R270 E302	M266-A268 VanDerWaalsContact C-N 3.29Å; M266-A268 PolarHBondContact O-N 2.72Å; M266-S269 PolarHBondContact O-N 2.91Å; M266-R270 PolarHBondContact O-N 3.19Å; M266-R270 VanDerWaalsContact O-N 3.1Å; M266-E302 VanDerWaalsContact CB-OE2 3.24Å; M266-E302 WeakPolarHBondContact CB-OE2 3.28Å; M266-E302 VanDerWaalsContact CG-OE2 3.31Å; M266-E302 WeakPolarHBondContact CG-OE2 3.44Å; M266-E302 PolarHBondContact N-OE2 3.44Å; M266-E302 VanDerWaalsContact N-OE2 3.1Å
267	K	96.3	Very high	96.1	Very high	171 Å²	171	72 Å²	72	74%	0.743	37%	0.371	S	S	*	.	H	α-helix	trans	-60.2	-40	176	-176.2	-179.3	177.5	-178.6	0	111.7	R270 A271	K267-R270 PolarHBondContact O-N 2.99Å; K267-A271 WeakPolarHBondContact O-CB 3.34Å; K267-A271 PolarHBondContact O-N 3.42Å
268	A	95.4	Very high	96.1	Very high	39 Å²	39	78.6 Å²	78.6	32%	0.322	39%	0.392	S	S	.	.	H	α-helix	trans	-62	-46.4	177.8	0	0	0	0	0	111.7	M266 A271 F272	M266-A268 VanDerWaalsContact C-N 3.29Å; M266-A268 PolarHBondContact O-N 2.72Å; A268-A271 PolarHBondContact O-N 3.19Å; A268-F272 WeakPolarHBondContact O-CB 3.46Å; A268-F272 PolarHBondContact O-N 3.38Å
269	S	97.2	Very high	96.2	Very high	0 Å²	0	79.8 Å²	79.8	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-64	-41.6	178.2	-43.8	0	0	0	0	112.4	M266 F272 F273 E302	M266-S269 PolarHBondContact O-N 2.91Å; S269-F272 PolarHBondContact O-N 2.88Å; S269-F273 VanDerWaalsContact O-CB 3.28Å; S269-F273 WeakPolarHBondContact O-CB 3.34Å; S269-F273 PolarHBondContact O-N 3.27Å; S269-E302 WeakPolarHBondContact CB-OE2 3.43Å; S269-E302 WeakPolarHBondContact OG-CB 3.44Å; S269-E302 PolarHBondContact OG-OE2 2.84Å
270	R	97.5	Very high	96.3	Very high	119 Å²	119	74.8 Å²	74.8	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-60.8	-44.9	174.4	-74.3	-167.3	-60	-81.5	0.9	112.4	L264 K265 M266 K267 S274	L264-R270 HydrophobicContact CB-CG 3.71Å; L264-R270 WeakPolarHBondContact O-CD 3.33Å; L264-R270 PolarHBondContact O-NH1 2.93Å; K265-R270 PolarHBondContact O-NH1 2.78Å; M266-R270 PolarHBondContact O-N 3.19Å; M266-R270 VanDerWaalsContact O-N 3.1Å; K267-R270 PolarHBondContact O-N 2.99Å; R270-S274 WeakPolarHBondContact O-CB 3.43Å; R270-S274 PolarHBondContact O-N 3.46Å
271	A	97	Very high	96.3	Very high	62 Å²	62	72.3 Å²	72.3	51%	0.512	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-45.5	177.8	0	0	0	0	0	111.4	K267 A268 S274 D275	K267-A271 WeakPolarHBondContact O-CB 3.34Å; K267-A271 PolarHBondContact O-N 3.42Å; A268-A271 PolarHBondContact O-N 3.19Å; A271-S274 PolarHBondContact O-N 3.46Å; A271-D275 PolarHBondContact O-N 3.48Å
272	F	97.9	Very high	96.4	Very high	11 Å²	11	68.8 Å²	68.8	5%	0.048	33%	0.328	C	S	.	.	H	α-helix	trans	-59.3	-50.2	175.7	171.4	-99.9	0	0	0	112.2	A268 S269 S274 D275 L276 F285 L287 F290 A296 V300 L309	A268-F272 WeakPolarHBondContact O-CB 3.46Å; A268-F272 PolarHBondContact O-N 3.38Å; S269-F272 PolarHBondContact O-N 2.88Å; F272-S274 VanDerWaalsContact C-N 3.35Å; F272-S274 PolarHBondContact O-N 2.89Å; F272-D275 PolarHBondContact O-N 3.09Å; F272-L276 WeakPolarHBondContact O-CB 3.5Å; F272-L276 PolarHBondContact O-N 2.83Å; F272-F285 HydrophobicContact CZ-CE2 4.03Å; F272-F285 HydrophobicContact CZ-CZ 4.29Å; F272-L287 HydrophobicContact CE2-CD2 3.96Å; F272-L287 HydrophobicContact CZ-CD2 3.8Å; F272-F290 HydrophobicContact CD2-CD1 4.13Å; F272-F290 AromaticContact CD2-CE1 3.83Å; F272-F290 HydrophobicContact CD2-CE1 3.83Å; F272-F290 HydrophobicContact CD2-CZ 4.05Å; F272-F290 HydrophobicContact CE2-CD1 4.11Å; F272-F290 HydrophobicContact CE2-CD2 4.03Å; F272-F290 AromaticContact CE2-CE1 3.71Å; F272-F290 HydrophobicContact CE2-CE1 3.71Å; F272-F290 AromaticContact CE2-CE2 3.62Å; F272-F290 HydrophobicContact CE2-CE2 3.62Å; F272-F290 HydrophobicContact CE2-CG 4.25Å; F272-F290 AromaticContact CE2-CZ 3.44Å; F272-F290 HydrophobicContact CE2-CZ 3.44Å; F272-F290 VanDerWaalsContact CE2-CZ 3.44Å; F272-F290 HydrophobicContact CZ-CE2 4.19Å; F272-F290 HydrophobicContact CZ-CZ 4.02Å; F272-A296 HydrophobicContact CD2-CB 4.32Å; F272-A296 HydrophobicContact CE2-CB 4.07Å; F272-V300 HydrophobicContact CE1-CB 3.96Å; F272-V300 HydrophobicContact CE1-CG2 4.31Å; F272-V300 HydrophobicContact CZ-CB 3.93Å; F272-V300 HydrophobicContact CZ-CG2 4.26Å; F272-L309 HydrophobicContact CE1-CD1 4.01Å
273	F	97.4	Very high	96.6	Very high	32 Å²	32	65.1 Å²	65.1	14%	0.14	31%	0.314	C	S	.	.	H	α-helix	trans	-65	-38	-178.5	-168.2	-95.8	0	0	0	112.2	R256 L264 S269 L276 D277 L308 L309	R256-F273 HydrophobicContact CG-CE2 4.39Å; R256-F273 HydrophobicContact CG-CZ 4.26Å; L264-F273 HydrophobicContact CD1-CB 3.52Å; L264-F273 HydrophobicContact CD1-CD1 4.39Å; L264-F273 HydrophobicContact CD1-CD2 4.3Å; L264-F273 HydrophobicContact CD1-CG 3.83Å; S269-F273 VanDerWaalsContact O-CB 3.28Å; S269-F273 WeakPolarHBondContact O-CB 3.34Å; S269-F273 PolarHBondContact O-N 3.27Å; F273-L276 HydrophobicContact CD2-CD2 3.8Å; F273-L276 HydrophobicContact CE2-CD2 4.08Å; F273-L276 HydrophobicContact CG-CD2 4.5Å; F273-L276 WeakPolarHBondContact O-CB 3.31Å; F273-D277 WeakPolarHBondContact O-CB 3.04Å; F273-D277 PolarHBondContact O-N 3.03Å; F273-L308 HydrophobicContact CD2-CD1 4.49Å; F273-L308 HydrophobicContact CE2-CB 3.92Å; F273-L308 HydrophobicContact CE2-CD1 4.25Å; F273-L308 HydrophobicContact CE2-CD2 4.42Å; F273-L308 HydrophobicContact CE2-CG 4.45Å; F273-L308 HydrophobicContact CZ-CD2 4.25Å; F273-L309 HydrophobicContact CE2-CD2 4.27Å
274	S	97.1	Very high	96.6	Very high	79 Å²	79	58.2 Å²	58.2	55%	0.552	28%	0.281	S	S	*	.	H	α-helix	trans	-65.2	-39.2	174.4	-175.9	0	0	0	0	112.5	R270 A271 F272 R278	R270-S274 WeakPolarHBondContact O-CB 3.43Å; R270-S274 PolarHBondContact O-N 3.46Å; A271-S274 PolarHBondContact O-N 3.46Å; F272-S274 VanDerWaalsContact C-N 3.35Å; F272-S274 PolarHBondContact O-N 2.89Å; S274-R278 WeakPolarHBondContact O-CB 3.24Å; S274-R278 PolarHBondContact O-N 2.98Å
275	D	96.9	Very high	96.7	Very high	42 Å²	42	57.6 Å²	57.6	23%	0.225	28%	0.278	C	S	.	.	H	α-helix	trans	-71.7	-43.4	178	-173.1	41.7	0	0	0	111.7	A271 F272 D277 R278 R279 F290	A271-D275 PolarHBondContact O-N 3.48Å; F272-D275 PolarHBondContact O-N 3.09Å; D275-D277 VanDerWaalsContact C-N 3.35Å; D275-D277 PolarHBondContact O-N 2.75Å; D275-R278 PolarHBondContact O-N 3.2Å; D275-R278 IonicContact OD1-CZ 3.74Å; D275-R278 IonicContact OD1-NE 3.96Å; D275-R278 IonicContact OD1-NH2 3.67Å; D275-R278 PolarHBondContact OD1-NH2 2.98Å; D275-R279 WeakPolarHBondContact O-CB 3.38Å; D275-R279 VanDerWaalsContact O-CG 3.3Å; D275-R279 WeakPolarHBondContact O-CG 3.46Å; D275-R279 PolarHBondContact O-N 3.02Å; D275-R279 IonicContact OD1-NE 2.82Å; D275-R279 IonicContact OD2-CZ 3.95Å; D275-R279 IonicContact OD2-NE 3.45Å; D275-F290 HydrophobicContact CB-CE1 4.37Å; D275-F290 WeakPolarHBondContact OD2-CD1 3.42Å
276	L	96.7	Very high	96.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-48.1	-55.2	168.3	153.6	66.6	0	0	0	111.6	F272 F273 R278 R279 F280 F285 F290 L309	F272-L276 WeakPolarHBondContact O-CB 3.5Å; F272-L276 PolarHBondContact O-N 2.83Å; F273-L276 HydrophobicContact CD2-CD2 3.8Å; F273-L276 HydrophobicContact CE2-CD2 4.08Å; F273-L276 HydrophobicContact CG-CD2 4.5Å; F273-L276 WeakPolarHBondContact O-CB 3.31Å; L276-R278 VanDerWaalsContact C-N 3.34Å; L276-R278 PolarHBondContact O-N 2.82Å; L276-R279 PolarHBondContact O-N 2.83Å; L276-F280 HydrophobicContact CD1-CB 4.29Å; L276-F280 HydrophobicContact CD1-CD2 4.02Å; L276-F280 PolarHBondContact O-N 3.22Å; L276-F285 HydrophobicContact CD1-CD1 3.33Å; L276-F285 HydrophobicContact CD1-CD2 4.37Å; L276-F285 HydrophobicContact CD1-CE1 3.14Å; L276-F285 HydrophobicContact CD1-CE2 4.2Å; L276-F285 HydrophobicContact CD1-CG 3.96Å; L276-F285 HydrophobicContact CD1-CZ 3.59Å; L276-F285 HydrophobicContact CD2-CE1 4.11Å; L276-F285 HydrophobicContact CD2-CZ 4.08Å; L276-F285 HydrophobicContact CG-CE1 4.23Å; L276-F285 HydrophobicContact CG-CZ 4.38Å; L276-F290 HydrophobicContact CB-CZ 4.14Å; L276-L309 HydrophobicContact CD2-CD2 3.46Å; L276-L309 VanDerWaalsContact CD2-CD2 3.46Å
277	D	95.7	Very high	96.9	Very high	59 Å²	59	46.8 Å²	46.8	32%	0.316	23%	0.229	S	C	.	.	H	α-helix	trans	-65.7	-40.5	-172.2	-173	52	0	0	0	111.7	R256 F273 D275 R279 G281	R256-D277 IonicContact CZ-OD1 2.86Å; R256-D277 IonicContact NH1-OD1 3.71Å; R256-D277 PolarHBondContact NH1-OD1 3.35Å; R256-D277 IonicContact NH1-OD2 3.44Å; F273-D277 WeakPolarHBondContact O-CB 3.04Å; F273-D277 PolarHBondContact O-N 3.03Å; D275-D277 VanDerWaalsContact C-N 3.35Å; D275-D277 PolarHBondContact O-N 2.75Å; D277-R279 VanDerWaalsContact C-N 3.33Å; D277-R279 PolarHBondContact O-N 2.9Å; D277-G281 WeakPolarHBondContact O-CA 3.37Å; D277-G281 PolarHBondContact O-N 2.87Å
278	R	95.5	Very high	96.9	Very high	177 Å²	177	39.8 Å²	39.8	67%	0.668	20%	0.198	S	C	*	.	H	α-helix	trans	-60.6	-41.8	175.3	-176	-177.6	65.7	107.1	-0.2	112.1	S274 D275 L276	S274-R278 WeakPolarHBondContact O-CB 3.24Å; S274-R278 PolarHBondContact O-N 2.98Å; D275-R278 PolarHBondContact O-N 3.2Å; D275-R278 IonicContact OD1-CZ 3.74Å; D275-R278 IonicContact OD1-NE 3.96Å; D275-R278 IonicContact OD1-NH2 3.67Å; D275-R278 PolarHBondContact OD1-NH2 2.98Å; L276-R278 VanDerWaalsContact C-N 3.34Å; L276-R278 PolarHBondContact O-N 2.82Å
279	R	95	Very high	97	Very high	84 Å²	84	39.4 Å²	39.4	32%	0.317	19%	0.192	S	C	.	.	H	α-helix	trans	-87.4	-40.4	-172.8	-63.8	-168.3	-42.9	161.7	2.5	114	D275 L276 D277 S289 F290	D275-R279 WeakPolarHBondContact O-CB 3.38Å; D275-R279 VanDerWaalsContact O-CG 3.3Å; D275-R279 WeakPolarHBondContact O-CG 3.46Å; D275-R279 PolarHBondContact O-N 3.02Å; D275-R279 IonicContact OD1-NE 2.82Å; D275-R279 IonicContact OD2-CZ 3.95Å; D275-R279 IonicContact OD2-NE 3.45Å; L276-R279 PolarHBondContact O-N 2.83Å; D277-R279 VanDerWaalsContact C-N 3.33Å; D277-R279 PolarHBondContact O-N 2.9Å; R279-S289 VanDerWaalsContact CZ-O 3.22Å; R279-S289 PolarHBondContact NH1-O 3.04Å; R279-S289 VanDerWaalsContact NH2-C 3.32Å; R279-S289 PolarHBondContact NH2-O 3.08Å; R279-F290 VanDerWaalsContact NH2-CD1 3.32Å
280	F	96.4	Very high	97	Very high	29 Å²	29	40.1 Å²	40.1	13%	0.127	20%	0.196	C	C	.	.	H	α-helix	trans	-120.7	-22.7	-170.8	-51.2	-71.8	0	0	0	113.6	L276 F282 M283 F285 F290	L276-F280 HydrophobicContact CD1-CB 4.29Å; L276-F280 HydrophobicContact CD1-CD2 4.02Å; L276-F280 PolarHBondContact O-N 3.22Å; F280-F282 PolarHBondContact O-N 3.25Å; F280-F282 VanDerWaalsContact O-N 3.08Å; F280-M283 WeakPolarHBondContact O-CB 3.49Å; F280-M283 PolarHBondContact O-N 3.06Å; F280-F285 HydrophobicContact CB-CB 4.28Å; F280-F285 HydrophobicContact CD1-CB 3.92Å; F280-F285 HydrophobicContact CD2-CB 3.57Å; F280-F285 AromaticContact CD2-CG 3.98Å; F280-F285 HydrophobicContact CD2-CG 3.98Å; F280-F285 HydrophobicContact CE1-CB 4.11Å; F280-F285 HydrophobicContact CE2-CB 3.75Å; F280-F285 HydrophobicContact CE2-CD2 4.5Å; F280-F285 HydrophobicContact CE2-CG 4.27Å; F280-F285 HydrophobicContact CG-CB 3.66Å; F280-F285 HydrophobicContact CG-CG 4.39Å; F280-F285 HydrophobicContact CZ-CB 4.04Å; F280-F290 HydrophobicContact CE2-CE2 4.3Å; F280-F290 HydrophobicContact CE2-CZ 4.13Å
281	G	95.6	Very high	96.8	Very high	6 Å²	6	42.6 Å²	42.6	6%	0.062	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	-112.6	-172.8	0	0	0	0	0	111.5	R256 D277	R256-G281 WeakPolarHBondContact CB-O 3.43Å; D277-G281 WeakPolarHBondContact O-CA 3.37Å; D277-G281 PolarHBondContact O-N 2.87Å
282	F	96	Very high	96.7	Very high	69 Å²	69	42.3 Å²	42.3	30%	0.303	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-1.3	179.9	-59.6	-67.9	0	0	0	114.4	R256 E258 F280	R256-F282 HydrophobicContact CB-CD1 4.06Å; R256-F282 HydrophobicContact CG-CD1 4.01Å; R256-F282 HydrophobicContact CG-CE1 4.09Å; E258-F282 HydrophobicContact CB-CD1 4.42Å; E258-F282 HydrophobicContact CB-CE1 4.22Å; E258-F282 HydrophobicContact CG-CB 4.45Å; E258-F282 HydrophobicContact CG-CD1 3.33Å; E258-F282 HydrophobicContact CG-CD2 4.49Å; E258-F282 HydrophobicContact CG-CE1 3.53Å; E258-F282 HydrophobicContact CG-CG 3.86Å; E258-F282 HydrophobicContact CG-CZ 4.21Å; F280-F282 PolarHBondContact O-N 3.25Å; F280-F282 VanDerWaalsContact O-N 3.08Å
283	M	98	Very high	96.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.212	C	C	.	.	S	Bend	trans	-70.8	158.7	176.7	-65.1	-62.3	145.7	0	0	111.6	A81 H119 I124 F200 F280	A81-M283 HydrophobicContact CB-SD 3.63Å; H119-M283 HydrophobicContact CB-SD 4.48Å; I124-M283 HydrophobicContact CD1-CE 3.95Å; I124-M283 HydrophobicContact CD1-SD 4.04Å; I124-M283 HydrophobicContact CG1-CE 4.15Å; I124-M283 HydrophobicContact CG1-SD 4.14Å; F200-M283 VanDerWaalsContact C-CE 3.48Å; F200-M283 HydrophobicContact CB-CE 3.59Å; F200-M283 HydrophobicContact CD1-CE 3.93Å; F200-M283 HydrophobicContact CG-CE 4.2Å; F200-M283 WeakPolarHBondContact O-CE 3.36Å; F280-M283 WeakPolarHBondContact O-CB 3.49Å; F280-M283 PolarHBondContact O-N 3.06Å
284	G	98.3	Very high	96.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.			trans	-67.1	143.1	170.8	0	0	0	0	0	111.1	A81 Y254	A81-G284 WeakPolarHBondContact O-CA 3.48Å; A81-G284 PolarHBondContact O-N 2.96Å; Y254-G284 CarbonylContact O-C 3.54Å; Y254-G284 WeakPolarHBondContact O-CA 3.38Å
285	F	98.4	Very high	96.3	Very high	1 Å²	1	49 Å²	49	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	158.5	179.5	68.9	-85.7	0	0	0	110.7	V253 Y254 F272 L276 F280 L287 F290 L309	V253-F285 WeakPolarHBondContact CA-O 3.15Å; Y254-F285 HydrophobicContact CD2-CE2 4.44Å; Y254-F285 HydrophobicContact CG-CZ 4.33Å; Y254-F285 PolarHBondContact N-O 3.08Å; Y254-F285 WeakPolarHBondContact O-CD1 3.31Å; Y254-F285 WeakPolarHBondContact O-CE1 3.5Å; Y254-F285 PolarHBondContact O-N 3.37Å; F272-F285 HydrophobicContact CZ-CE2 4.03Å; F272-F285 HydrophobicContact CZ-CZ 4.29Å; L276-F285 HydrophobicContact CD1-CD1 3.33Å; L276-F285 HydrophobicContact CD1-CD2 4.37Å; L276-F285 HydrophobicContact CD1-CE1 3.14Å; L276-F285 HydrophobicContact CD1-CE2 4.2Å; L276-F285 HydrophobicContact CD1-CG 3.96Å; L276-F285 HydrophobicContact CD1-CZ 3.59Å; L276-F285 HydrophobicContact CD2-CE1 4.11Å; L276-F285 HydrophobicContact CD2-CZ 4.08Å; L276-F285 HydrophobicContact CG-CE1 4.23Å; L276-F285 HydrophobicContact CG-CZ 4.38Å; F280-F285 HydrophobicContact CB-CB 4.28Å; F280-F285 HydrophobicContact CD1-CB 3.92Å; F280-F285 HydrophobicContact CD2-CB 3.57Å; F280-F285 AromaticContact CD2-CG 3.98Å; F280-F285 HydrophobicContact CD2-CG 3.98Å; F280-F285 HydrophobicContact CE1-CB 4.11Å; F280-F285 HydrophobicContact CE2-CB 3.75Å; F280-F285 HydrophobicContact CE2-CD2 4.5Å; F280-F285 HydrophobicContact CE2-CG 4.27Å; F280-F285 HydrophobicContact CG-CB 3.66Å; F280-F285 HydrophobicContact CG-CG 4.39Å; F280-F285 HydrophobicContact CZ-CB 4.04Å; F285-L287 HydrophobicContact CE2-CD2 4.25Å; F285-F290 AromaticContact CD2-CE2 3.69Å; F285-F290 HydrophobicContact CD2-CE2 3.69Å; F285-F290 HydrophobicContact CD2-CZ 4.21Å; F285-F290 AromaticContact CE2-CE2 3.8Å; F285-F290 HydrophobicContact CE2-CE2 3.8Å; F285-F290 HydrophobicContact CE2-CZ 4.16Å; F285-L309 HydrophobicContact CE1-CD2 4.23Å; F285-L309 HydrophobicContact CZ-CD1 4.18Å; F285-L309 HydrophobicContact CZ-CD2 4.26Å
286	T	98.5	Very high	96.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	145.3	171.4	178.3	0	0	0	0	110.1	P83 T252 R288 S289	P83-T286 HydrophobicContact CB-CG2 3.74Å; P83-T286 HydrophobicContact CG-CG2 4.39Å; T252-T286 CarbonylContact O-C 3.51Å; T252-T286 VanDerWaalsContact O-CA 3.31Å; T252-T286 WeakPolarHBondContact O-CA 3.36Å; T286-R288 HydrophobicContact CG2-CB 3.9Å; T286-R288 PolarHBondContact O-N 2.93Å; T286-R288 PolarHBondContact OG1-N 3.4Å; T286-S289 VanDerWaalsContact CG2-OG 3.32Å; T286-S289 WeakPolarHBondContact CG2-OG 3.49Å; T286-S289 WeakPolarHBondContact O-CB 3.48Å; T286-S289 PolarHBondContact O-N 3.48Å; T286-S289 PolarHBondContact O-OG 3.07Å
287	L	98.3	Very high	96.3	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-59.1	-23.2	172.5	-67.4	-179.2	0	0	0	112.3	L98 T252 Y254 F272 F285 S289 F290 A296 V300	L98-L287 HydrophobicContact CD2-CB 3.75Å; T252-L287 WeakPolarHBondContact O-CG 3.36Å; T252-L287 PolarHBondContact O-N 3.47Å; Y254-L287 HydrophobicContact CD2-CD2 4.31Å; Y254-L287 HydrophobicContact CD2-CG 4.14Å; Y254-L287 HydrophobicContact CE2-CD1 3.78Å; Y254-L287 HydrophobicContact CE2-CD2 4.24Å; Y254-L287 HydrophobicContact CE2-CG 3.8Å; F272-L287 HydrophobicContact CE2-CD2 3.96Å; F272-L287 HydrophobicContact CZ-CD2 3.8Å; F285-L287 HydrophobicContact CE2-CD2 4.25Å; L287-S289 PolarHBondContact O-N 2.8Å; L287-F290 PolarHBondContact O-N 3.48Å; L287-A296 HydrophobicContact CD2-CB 4.32Å; L287-V300 HydrophobicContact CD1-CG1 4.03Å; L287-V300 HydrophobicContact CD2-CB 3.97Å; L287-V300 HydrophobicContact CD2-CG1 4.27Å; L287-V300 HydrophobicContact CD2-CG2 4.06Å
288	R	96.8	Very high	96.2	Very high	25 Å²	25	51.1 Å²	51.1	9%	0.094	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-60.4	-25.6	174.1	179	178.8	61.1	-114.4	-2.1	112.4	C56 T57 D60 S96 P97 L98 T286 F290	C56-R288 PolarHBondContact O-NH2 3.16Å; T57-R288 WeakPolarHBondContact OG1-CD 3.37Å; D60-R288 IonicContact OD2-CZ 3.59Å; D60-R288 IonicContact OD2-NE 3.37Å; D60-R288 IonicContact OD2-NH2 3.78Å; D60-R288 PolarHBondContact OD2-NH2 2.97Å; S96-R288 PolarHBondContact OG-NH1 3.44Å; S96-R288 PolarHBondContact OG-NH2 2.84Å; P97-R288 PolarHBondContact O-NH1 2.84Å; L98-R288 HydrophobicContact CD2-CB 4.04Å; L98-R288 VanDerWaalsContact CD2-N 3.32Å; T286-R288 HydrophobicContact CG2-CB 3.9Å; T286-R288 PolarHBondContact O-N 2.93Å; T286-R288 PolarHBondContact OG1-N 3.4Å; R288-F290 PolarHBondContact O-N 3.1Å
289	S	96.9	Very high	96.3	Very high	30 Å²	30	42.7 Å²	42.7	21%	0.21	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-72.6	-5.8	-178.4	-52.9	0	0	0	0	113.3	R279 T286 L287	R279-S289 VanDerWaalsContact CZ-O 3.22Å; R279-S289 PolarHBondContact NH1-O 3.04Å; R279-S289 VanDerWaalsContact NH2-C 3.32Å; R279-S289 PolarHBondContact NH2-O 3.08Å; T286-S289 VanDerWaalsContact CG2-OG 3.32Å; T286-S289 WeakPolarHBondContact CG2-OG 3.49Å; T286-S289 WeakPolarHBondContact O-CB 3.48Å; T286-S289 PolarHBondContact O-N 3.48Å; T286-S289 PolarHBondContact O-OG 3.07Å; L287-S289 PolarHBondContact O-N 2.8Å
290	F	97.1	Very high	96.4	Very high	16 Å²	16	38.7 Å²	38.7	7%	0.07	20%	0.197	C	C	.	.	S	Bend	trans	-98.9	141.4	-179.9	-64.3	-96.1	0	0	0	111.2	F272 D275 L276 R279 F280 F285 L287 R288 D292 A296	F272-F290 HydrophobicContact CD2-CD1 4.13Å; F272-F290 AromaticContact CD2-CE1 3.83Å; F272-F290 HydrophobicContact CD2-CE1 3.83Å; F272-F290 HydrophobicContact CD2-CZ 4.05Å; F272-F290 HydrophobicContact CE2-CD1 4.11Å; F272-F290 HydrophobicContact CE2-CD2 4.03Å; F272-F290 AromaticContact CE2-CE1 3.71Å; F272-F290 HydrophobicContact CE2-CE1 3.71Å; F272-F290 AromaticContact CE2-CE2 3.62Å; F272-F290 HydrophobicContact CE2-CE2 3.62Å; F272-F290 HydrophobicContact CE2-CG 4.25Å; F272-F290 AromaticContact CE2-CZ 3.44Å; F272-F290 HydrophobicContact CE2-CZ 3.44Å; F272-F290 VanDerWaalsContact CE2-CZ 3.44Å; F272-F290 HydrophobicContact CZ-CE2 4.19Å; F272-F290 HydrophobicContact CZ-CZ 4.02Å; D275-F290 HydrophobicContact CB-CE1 4.37Å; D275-F290 WeakPolarHBondContact OD2-CD1 3.42Å; L276-F290 HydrophobicContact CB-CZ 4.14Å; R279-F290 VanDerWaalsContact NH2-CD1 3.32Å; F280-F290 HydrophobicContact CE2-CE2 4.3Å; F280-F290 HydrophobicContact CE2-CZ 4.13Å; F285-F290 AromaticContact CD2-CE2 3.69Å; F285-F290 HydrophobicContact CD2-CE2 3.69Å; F285-F290 HydrophobicContact CD2-CZ 4.21Å; F285-F290 AromaticContact CE2-CE2 3.8Å; F285-F290 HydrophobicContact CE2-CE2 3.8Å; F285-F290 HydrophobicContact CE2-CZ 4.16Å; L287-F290 PolarHBondContact O-N 3.48Å; R288-F290 PolarHBondContact O-N 3.1Å; F290-D292 VanDerWaalsContact C-N 3.27Å; F290-D292 PolarHBondContact O-N 2.68Å; F290-A296 HydrophobicContact CB-CB 3.9Å; F290-A296 HydrophobicContact CD2-CB 4.32Å; F290-A296 HydrophobicContact CG-CB 4.16Å
291	D	93	Very high	96.4	Very high	170 Å²	170	41.4 Å²	41.4	91%	0.909	21%	0.213	S	C	*	.	S	Bend	trans	-63.5	-30	-173.9	-56.5	-26.7	0	0	0	113.8
292	D	95.1	Very high	96.4	Very high	57 Å²	57	42 Å²	42	31%	0.305	21%	0.214	S	C	.	.			trans	-121.1	98.7	-178	-176.1	-29.4	0	0	0	109.9	F290 V294 K295 A296	F290-D292 VanDerWaalsContact C-N 3.27Å; F290-D292 PolarHBondContact O-N 2.68Å; D292-V294 PolarHBondContact O-N 3.2Å; D292-V294 WeakPolarHBondContact OD1-CB 3.39Å; D292-V294 PolarHBondContact OD1-N 3.26Å; D292-K295 HydrophobicContact CB-CB 4.1Å; D292-K295 HydrophobicContact CB-CD 4.3Å; D292-K295 HydrophobicContact CB-CG 4.28Å; D292-K295 PolarHBondContact O-N 2.84Å; D292-K295 PolarHBondContact OD1-N 3.23Å; D292-K295 WeakPolarHBondContact OD2-CD 3.2Å; D292-K295 WeakPolarHBondContact OD2-CE 3.4Å; D292-K295 WeakPolarHBondContact OD2-CG 3.5Å; D292-K295 IonicContact OD2-NZ 3.9Å; D292-K295 PolarHBondContact OD2-NZ 2.86Å; D292-A296 WeakPolarHBondContact O-CB 3.37Å; D292-A296 PolarHBondContact O-N 3.45Å
293	E	95	Very high	96.5	Very high	32 Å²	32	38.8 Å²	38.8	15%	0.15	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-32.8	-179	-66.6	-167.2	169.6	0	0	112.9	Q99 S100 A296 K297	Q99-E293 WeakPolarHBondContact CA-OE1 3.3Å; Q99-E293 VanDerWaalsContact CB-OE1 3.26Å; Q99-E293 WeakPolarHBondContact CB-OE1 3.11Å; Q99-E293 PolarHBondContact N-OE1 3.23Å; S100-E293 WeakPolarHBondContact CB-OE2 3.49Å; S100-E293 PolarHBondContact N-OE2 3.5Å; S100-E293 PolarHBondContact OG-OE2 3.27Å; E293-A296 PolarHBondContact O-N 3.4Å; E293-K297 VanDerWaalsContact O-CB 3.31Å; E293-K297 WeakPolarHBondContact O-CB 3.47Å; E293-K297 WeakPolarHBondContact O-CG 3.47Å; E293-K297 PolarHBondContact O-N 2.89Å
294	V	94.9	Very high	96.5	Very high	98 Å²	98	41.5 Å²	41.5	59%	0.594	21%	0.213	S	C	*	.	H	α-helix	trans	-68.6	-45.9	-179.6	178.6	0	0	0	0	109.4	D292 K297 L298	D292-V294 PolarHBondContact O-N 3.2Å; D292-V294 WeakPolarHBondContact OD1-CB 3.39Å; D292-V294 PolarHBondContact OD1-N 3.26Å; V294-K297 PolarHBondContact O-N 2.71Å; V294-L298 HydrophobicContact CG1-CD1 4.23Å; V294-L298 WeakPolarHBondContact O-CG 3.47Å; V294-L298 PolarHBondContact O-N 3.3Å
295	K	95.3	Very high	96.4	Very high	133 Å²	133	49.4 Å²	49.4	58%	0.578	25%	0.247	S	C	*	.	H	α-helix	trans	-64.5	-40.2	174.5	-72.7	-173.4	-171.6	106.9	0	112.2	D292 L298 G299	D292-K295 HydrophobicContact CB-CB 4.1Å; D292-K295 HydrophobicContact CB-CD 4.3Å; D292-K295 HydrophobicContact CB-CG 4.28Å; D292-K295 PolarHBondContact O-N 2.84Å; D292-K295 PolarHBondContact OD1-N 3.23Å; D292-K295 WeakPolarHBondContact OD2-CD 3.2Å; D292-K295 WeakPolarHBondContact OD2-CE 3.4Å; D292-K295 WeakPolarHBondContact OD2-CG 3.5Å; D292-K295 IonicContact OD2-NZ 3.9Å; D292-K295 PolarHBondContact OD2-NZ 2.86Å; K295-L298 PolarHBondContact O-N 3.05Å; K295-G299 PolarHBondContact O-N 3.1Å
296	A	96.9	Very high	96.3	Very high	3 Å²	3	52 Å²	52	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-46.7	177.1	0	0	0	0	0	111.5	F272 L287 F290 D292 E293 L298 G299 V300	F272-A296 HydrophobicContact CD2-CB 4.32Å; F272-A296 HydrophobicContact CE2-CB 4.07Å; L287-A296 HydrophobicContact CD2-CB 4.32Å; F290-A296 HydrophobicContact CB-CB 3.9Å; F290-A296 HydrophobicContact CD2-CB 4.32Å; F290-A296 HydrophobicContact CG-CB 4.16Å; D292-A296 WeakPolarHBondContact O-CB 3.37Å; D292-A296 PolarHBondContact O-N 3.45Å; E293-A296 PolarHBondContact O-N 3.4Å; A296-L298 VanDerWaalsContact C-N 3.31Å; A296-L298 PolarHBondContact O-N 3.47Å; A296-G299 PolarHBondContact O-N 2.97Å; A296-V300 WeakPolarHBondContact O-CB 3.34Å; A296-V300 WeakPolarHBondContact O-CG1 3.43Å; A296-V300 PolarHBondContact O-N 3.41Å
297	K	95.6	Very high	96.3	Very high	51 Å²	51	56.9 Å²	56.9	22%	0.222	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-36.8	175	-73.7	172.8	-172.7	176.8	0	112.6	L98 S100 E293 V294 V300 N301	L98-K297 HydrophobicContact CD1-CD 4.31Å; L98-K297 HydrophobicContact CD1-CG 4.32Å; S100-K297 PolarHBondContact OG-NZ 3.31Å; E293-K297 VanDerWaalsContact O-CB 3.31Å; E293-K297 WeakPolarHBondContact O-CB 3.47Å; E293-K297 WeakPolarHBondContact O-CG 3.47Å; E293-K297 PolarHBondContact O-N 2.89Å; V294-K297 PolarHBondContact O-N 2.71Å; K297-V300 WeakPolarHBondContact O-CG1 3.28Å; K297-N301 PolarHBondContact O-ND2 3.07Å; K297-N301 PolarHBondContact O-OD1 3.11Å
298	L	94.7	Very high	96.3	Very high	90 Å²	90	57 Å²	57	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-73.2	-44.4	176.7	-73	170.6	0	0	0	112.1	V294 K295 A296	V294-L298 HydrophobicContact CG1-CD1 4.23Å; V294-L298 WeakPolarHBondContact O-CG 3.47Å; V294-L298 PolarHBondContact O-N 3.3Å; K295-L298 PolarHBondContact O-N 3.05Å; A296-L298 VanDerWaalsContact C-N 3.31Å; A296-L298 PolarHBondContact O-N 3.47Å
299	G	96	Very high	96.3	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-69.6	-37.1	-176.4	0	0	0	0	0	113.6	K295 A296 N301 C303	K295-G299 PolarHBondContact O-N 3.1Å; A296-G299 PolarHBondContact O-N 2.97Å; G299-N301 VanDerWaalsContact C-N 3.33Å; G299-N301 PolarHBondContact O-N 2.9Å; G299-C303 PolarHBondContact O-SG 3.28Å
300	V	97.7	Very high	96.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-36.5	179.8	73.2	0	0	0	0	112.3	Y254 F272 L287 A296 K297 E302 C303 E304 L309	Y254-V300 HydrophobicContact CD1-CG2 4Å; Y254-V300 HydrophobicContact CD2-CG2 4.06Å; Y254-V300 HydrophobicContact CE1-CG2 3.73Å; Y254-V300 HydrophobicContact CE2-CG2 3.83Å; Y254-V300 HydrophobicContact CG-CG2 4.17Å; F272-V300 HydrophobicContact CE1-CB 3.96Å; F272-V300 HydrophobicContact CE1-CG2 4.31Å; F272-V300 HydrophobicContact CZ-CB 3.93Å; F272-V300 HydrophobicContact CZ-CG2 4.26Å; L287-V300 HydrophobicContact CD1-CG1 4.03Å; L287-V300 HydrophobicContact CD2-CB 3.97Å; L287-V300 HydrophobicContact CD2-CG1 4.27Å; L287-V300 HydrophobicContact CD2-CG2 4.06Å; A296-V300 WeakPolarHBondContact O-CB 3.34Å; A296-V300 WeakPolarHBondContact O-CG1 3.43Å; A296-V300 PolarHBondContact O-N 3.41Å; K297-V300 WeakPolarHBondContact O-CG1 3.28Å; V300-E302 PolarHBondContact O-N 3.05Å; V300-C303 PolarHBondContact O-N 2.91Å; V300-C303 VanDerWaalsContact O-N 3.11Å; V300-E304 WeakPolarHBondContact O-CB 3.49Å; V300-E304 PolarHBondContact O-N 3.15Å; V300-L309 HydrophobicContact CG2-CD1 3.71Å
301	N	96.1	Very high	96.4	Very high	87 Å²	87	59 Å²	59	47%	0.465	30%	0.295	S	S	.	.	H	α-helix	trans	-58.7	-44.8	-174.8	-70.7	-12.3	0	0	0	113	K297 G299 K305	K297-N301 PolarHBondContact O-ND2 3.07Å; K297-N301 PolarHBondContact O-OD1 3.11Å; G299-N301 VanDerWaalsContact C-N 3.33Å; G299-N301 PolarHBondContact O-N 2.9Å; N301-K305 VanDerWaalsContact O-CB 3.23Å; N301-K305 WeakPolarHBondContact O-CB 3.41Å; N301-K305 PolarHBondContact O-N 2.67Å
302	E	96.8	Very high	96.6	Very high	19 Å²	19	52.3 Å²	52.3	9%	0.089	26%	0.258	C	S	.	.	H	α-helix	trans	-68.7	-40.8	177.3	-172.3	-176.6	177.4	0	0	111	L264 K265 M266 S269 V300 K305 H306	L264-E302 HydrophobicContact CD2-CB 4.25Å; L264-E302 HydrophobicContact CD2-CG 3.7Å; K265-E302 PolarHBondContact N-OE1 3.06Å; M266-E302 VanDerWaalsContact CB-OE2 3.24Å; M266-E302 WeakPolarHBondContact CB-OE2 3.28Å; M266-E302 VanDerWaalsContact CG-OE2 3.31Å; M266-E302 WeakPolarHBondContact CG-OE2 3.44Å; M266-E302 PolarHBondContact N-OE2 3.44Å; M266-E302 VanDerWaalsContact N-OE2 3.1Å; S269-E302 WeakPolarHBondContact CB-OE2 3.43Å; S269-E302 WeakPolarHBondContact OG-CB 3.44Å; S269-E302 PolarHBondContact OG-OE2 2.84Å; V300-E302 PolarHBondContact O-N 3.05Å; E302-K305 PolarHBondContact O-N 2.76Å; E302-H306 PolarHBondContact O-CD2 3.5Å; E302-H306 VanDerWaalsContact O-CD2 3.26Å; E302-H306 PolarHBondContact O-N 3.44Å; E302-H306 VanDerWaalsContact O-N 3.16Å
303	C	97.9	Very high	96.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-43.9	-178.4	-57	0	0	0	0	111.6	G299 V300 H306 N307 L308 L309	G299-C303 PolarHBondContact O-SG 3.28Å; V300-C303 PolarHBondContact O-N 2.91Å; V300-C303 VanDerWaalsContact O-N 3.11Å; C303-H306 CarbonylContact O-C 3.5Å; C303-H306 PolarHBondContact O-N 2.83Å; C303-N307 PolarHBondContact O-N 2.85Å; C303-L308 HydrophobicContact CB-CB 4.26Å; C303-L308 WeakPolarHBondContact O-CB 3.43Å; C303-L308 PolarHBondContact O-N 3.37Å; C303-L309 HydrophobicContact CB-CD1 3.5Å; C303-L309 HydrophobicContact CB-CG 3.7Å
304	E	97	Very high	96.9	Very high	59 Å²	59	51 Å²	51	28%	0.276	25%	0.25	S	S	.	.	H	α-helix	trans	-64.4	-47	174.7	-176.2	-178.1	170.8	0	0	111.5	Y254 V300 H306 N307	Y254-E304 WeakPolarHBondContact CE1-OE2 3.32Å; V300-E304 WeakPolarHBondContact O-CB 3.49Å; V300-E304 PolarHBondContact O-N 3.15Å; E304-H306 PolarHBondContact O-N 3.27Å; E304-H306 VanDerWaalsContact O-N 3.08Å; E304-N307 PolarHBondContact O-N 3.28Å
305	K	96.9	Very high	97.1	Very high	166 Å²	166	48.1 Å²	48.1	72%	0.722	23%	0.231	S	C	*	.	H	α-helix	trans	-55.5	-31.2	178.4	-178.8	179.6	178.8	-178	0	113.1	N301 E302	N301-K305 VanDerWaalsContact O-CB 3.23Å; N301-K305 WeakPolarHBondContact O-CB 3.41Å; N301-K305 PolarHBondContact O-N 2.67Å; E302-K305 PolarHBondContact O-N 2.76Å
306	H	96.9	Very high	97.2	Very high	56 Å²	56	43.4 Å²	43.4	26%	0.259	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	18.2	178.5	-68.6	-69.3	0	0	0	113.4	I260 Y262 E302 C303 E304 L308	I260-H306 WeakPolarHBondContact CG2-O 3.24Å; Y262-H306 HydrophobicContact CD1-CB 3.66Å; Y262-H306 AromaticContact CD1-CD2 3.98Å; Y262-H306 AromaticContact CD1-CG 3.72Å; Y262-H306 HydrophobicContact CD2-CB 4.31Å; Y262-H306 HydrophobicContact CE1-CB 3.92Å; Y262-H306 AromaticContact CE1-CD2 3.31Å; Y262-H306 WeakPolarHBondContact CE1-CD2 3.49Å; Y262-H306 AromaticContact CE1-CG 3.42Å; Y262-H306 VanDerWaalsContact CE1-CG 3.42Å; Y262-H306 AromaticContact CE1-ND1 3.87Å; Y262-H306 AromaticContact CE1-NE2 3.72Å; Y262-H306 AromaticContact CE2-CE1 3.84Å; Y262-H306 AromaticContact CE2-CG 3.96Å; Y262-H306 AromaticContact CE2-ND1 3.59Å; Y262-H306 HydrophobicContact CG-CB 3.87Å; Y262-H306 AromaticContact CZ-CD2 3.56Å; Y262-H306 AromaticContact CZ-CE1 3.42Å; Y262-H306 VanDerWaalsContact CZ-CE1 3.42Å; Y262-H306 AromaticContact CZ-CG 3.55Å; Y262-H306 AromaticContact CZ-ND1 3.47Å; Y262-H306 AromaticContact CZ-NE2 3.49Å; Y262-H306 PolarHBondContact OH-CE1 3.44Å; Y262-H306 PolarHBondContact OH-NE2 2.86Å; Y262-H306 VanDerWaalsContact OH-NE2 3.13Å; E302-H306 PolarHBondContact O-CD2 3.5Å; E302-H306 VanDerWaalsContact O-CD2 3.26Å; E302-H306 PolarHBondContact O-N 3.44Å; E302-H306 VanDerWaalsContact O-N 3.16Å; C303-H306 CarbonylContact O-C 3.5Å; C303-H306 PolarHBondContact O-N 2.83Å; E304-H306 PolarHBondContact O-N 3.27Å; E304-H306 VanDerWaalsContact O-N 3.08Å; H306-L308 PolarHBondContact O-N 3.35Å
307	N	97.1	Very high	97.3	Very high	102 Å²	102	43.9 Å²	43.9	55%	0.545	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	16.6	176.3	-57.2	-47.3	0	0	0	115.1	N257 I260 C303 E304 L309	N257-N307 WeakPolarHBondContact CB-O 3.23Å; N257-N307 PolarHBondContact ND2-O 2.77Å; N257-N307 VanDerWaalsContact ND2-O 3.13Å; I260-N307 HydrophobicContact CG1-CB 4.36Å; C303-N307 PolarHBondContact O-N 2.85Å; E304-N307 PolarHBondContact O-N 3.28Å; N307-L309 PolarHBondContact O-N 3.36Å
308	L	98	Very high	97.3	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.016	23%	0.226	C	C	.	.	S	Bend	trans	-68	-23.3	172.7	-74.6	171.1	0	0	0	111.4	N257 I260 Y262 L264 F273 C303 H306	N257-L308 PolarHBondContact N-O 3Å; I260-L308 HydrophobicContact CG2-CD2 4.06Å; I260-L308 HydrophobicContact CG2-CG 4.46Å; I260-L308 WeakPolarHBondContact O-CD2 3.33Å; Y262-L308 HydrophobicContact CD1-CD1 4.11Å; L264-L308 HydrophobicContact CD1-CD1 4.12Å; L264-L308 HydrophobicContact CD2-CD1 3.72Å; L264-L308 HydrophobicContact CG-CD1 3.81Å; F273-L308 HydrophobicContact CD2-CD1 4.49Å; F273-L308 HydrophobicContact CE2-CB 3.92Å; F273-L308 HydrophobicContact CE2-CD1 4.25Å; F273-L308 HydrophobicContact CE2-CD2 4.42Å; F273-L308 HydrophobicContact CE2-CG 4.45Å; F273-L308 HydrophobicContact CZ-CD2 4.25Å; C303-L308 HydrophobicContact CB-CB 4.26Å; C303-L308 WeakPolarHBondContact O-CB 3.43Å; C303-L308 PolarHBondContact O-N 3.37Å; H306-L308 PolarHBondContact O-N 3.35Å
309	L	98.2	Very high	97.4	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.2	176.6	-55.2	177.6	0	0	0	110.3	Y254 K255 R256 F272 F273 L276 F285 V300 C303 N307	Y254-L309 HydrophobicContact CD1-CB 4.22Å; K255-L309 CarbonylContact O-C 3.58Å; K255-L309 VanDerWaalsContact O-CA 3.24Å; K255-L309 WeakPolarHBondContact O-CA 3.26Å; R256-L309 HydrophobicContact CB-CD2 4.41Å; F272-L309 HydrophobicContact CE1-CD1 4.01Å; F273-L309 HydrophobicContact CE2-CD2 4.27Å; L276-L309 HydrophobicContact CD2-CD2 3.46Å; L276-L309 VanDerWaalsContact CD2-CD2 3.46Å; F285-L309 HydrophobicContact CE1-CD2 4.23Å; F285-L309 HydrophobicContact CZ-CD1 4.18Å; F285-L309 HydrophobicContact CZ-CD2 4.26Å; V300-L309 HydrophobicContact CG2-CD1 3.71Å; C303-L309 HydrophobicContact CB-CD1 3.5Å; C303-L309 HydrophobicContact CB-CG 3.7Å; N307-L309 PolarHBondContact O-N 3.36Å
310	K	97	Very high	97.4	Very high	75 Å²	75	55.7 Å²	55.7	33%	0.326	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.8	169.9	-178.8	175.2	174.2	-178.3	0	108.7	D203 Y254 K255	D203-K310 IonicContact OD2-NZ 3.61Å; D203-K310 PolarHBondContact OD2-NZ 2.89Å; Y254-K310 CarbonylContact C-O 3.46Å; Y254-K310 VanDerWaalsContact CA-O 3.3Å; Y254-K310 WeakPolarHBondContact CA-O 3.45Å; K255-K310 HydrophobicContact CG-CB 4.15Å; K255-K310 PolarHBondContact N-O 3.03Å; K255-K310 PolarHBondContact O-N 3.15Å
311	P	97.7	Very high	97.5	Very high	34 Å²	34	57 Å²	57	22%	0.221	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	143.6	176.7	29.5	-33.3	0	0	0	111.8	T251 Y254 H313	T251-P311 HydrophobicContact CG2-CB 3.84Å; Y254-P311 HydrophobicContact CD1-CB 4.04Å; Y254-P311 HydrophobicContact CE1-CB 3.89Å; P311-H313 VanDerWaalsContact CB-CE1 3.48Å; P311-H313 WeakPolarHBondContact CB-CE1 3.38Å; P311-H313 VanDerWaalsContact CG-CE1 3.48Å; P311-H313 WeakPolarHBondContact CG-CE1 3.28Å
312	F	98	Very high	97.6	Very high	30 Å²	30	53.7 Å²	53.7	13%	0.132	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	86.9	167.4	-67.3	-97.5	0	0	0	108.2	F82 H94 T251 V253 K255	F82-F312 AromaticContact CE2-CD1 3.69Å; F82-F312 HydrophobicContact CE2-CD1 3.69Å; F82-F312 HydrophobicContact CE2-CD2 4.12Å; F82-F312 AromaticContact CE2-CE1 3.72Å; F82-F312 HydrophobicContact CE2-CE1 3.72Å; F82-F312 HydrophobicContact CE2-CE2 4.15Å; F82-F312 AromaticContact CE2-CG 3.9Å; F82-F312 HydrophobicContact CE2-CG 3.9Å; F82-F312 AromaticContact CE2-CZ 3.95Å; F82-F312 HydrophobicContact CE2-CZ 3.95Å; F82-F312 HydrophobicContact CZ-CB 4.44Å; F82-F312 AromaticContact CZ-CD1 3.94Å; F82-F312 HydrophobicContact CZ-CD1 3.94Å; F82-F312 HydrophobicContact CZ-CE1 4.36Å; F82-F312 HydrophobicContact CZ-CG 4.13Å; H94-F312 HydrophobicContact CB-CB 4.32Å; H94-F312 WeakPolarHBondContact CB-O 3.11Å; H94-F312 AromaticContact NE2-CD1 3.9Å; T251-F312 WeakPolarHBondContact CG2-O 3.44Å; V253-F312 HydrophobicContact CB-CB 3.99Å; V253-F312 HydrophobicContact CG1-CB 3.93Å; V253-F312 HydrophobicContact CG1-CD2 4.05Å; V253-F312 HydrophobicContact CG1-CG 4.16Å; V253-F312 PolarHBondContact O-N 3.08Å; K255-F312 HydrophobicContact CB-CE2 3.86Å; K255-F312 HydrophobicContact CB-CZ 4.45Å; K255-F312 HydrophobicContact CG-CE2 3.91Å; K255-F312 HydrophobicContact CG-CZ 4.23Å
313	H	98.1	Very high	97.7	Very high	61 Å²	61	52.8 Å²	52.8	28%	0.282	26%	0.264	S	S	.	.			trans	-62.7	146.5	-175.4	-58.2	-55	0	0	0	112.1	H94 T251 P311 L315	H94-H313 PolarHBondContact ND1-O 2.9Å; T251-H313 PolarHBondContact OG1-ND1 3Å; P311-H313 VanDerWaalsContact CB-CE1 3.48Å; P311-H313 WeakPolarHBondContact CB-CE1 3.38Å; P311-H313 VanDerWaalsContact CG-CE1 3.48Å; P311-H313 WeakPolarHBondContact CG-CE1 3.28Å; H313-L315 HydrophobicContact CB-CD2 4.01Å; H313-L315 PolarHBondContact O-N 3.48Å
314	V	98.3	Very high	97.7	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	26%	0.264	C	S	.	.			trans	-75	119.3	166.8	-170.7	0	0	0	0	108	C91 F95 N249 Y316	C91-V314 VanDerWaalsContact SG-CG1 3.55Å; F95-V314 HydrophobicContact CB-CG1 4.2Å; F95-V314 HydrophobicContact CD2-CG1 4.12Å; F95-V314 HydrophobicContact CD2-CG2 4.44Å; N249-V314 HydrophobicContact CB-CB 4.38Å; N249-V314 HydrophobicContact CB-CG2 4.35Å; V314-Y316 HydrophobicContact CB-CE2 4.19Å; V314-Y316 HydrophobicContact CG1-CD2 4.29Å; V314-Y316 HydrophobicContact CG1-CE2 3.46Å; V314-Y316 VanDerWaalsContact CG1-CE2 3.46Å
315	L	98.4	Very high	97.8	Very high	36 Å²	36	50 Å²	50	19%	0.188	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	149.1	-177.4	-55.8	-179.4	0	0	0	110.7	A92 M192 A244 K245 Q246 H313	A92-L315 HydrophobicContact CB-CB 4.25Å; A92-L315 WeakPolarHBondContact CB-O 3.14Å; A92-L315 PolarHBondContact N-O 3.35Å; M192-L315 HydrophobicContact CE-CD1 3.78Å; A244-L315 HydrophobicContact CB-CB 3.89Å; K245-L315 CarbonylContact O-C 3.54Å; K245-L315 WeakPolarHBondContact O-CA 3.36Å; Q246-L315 HydrophobicContact CB-CD2 4.42Å; H313-L315 HydrophobicContact CB-CD2 4.01Å; H313-L315 PolarHBondContact O-N 3.48Å
316	Y	98.4	Very high	97.9	Very high	34 Å²	34	42.4 Å²	42.4	13%	0.133	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.6	-175.2	-70.6	-87.9	0	0	0	111.7	H90 C91 A244 K245 N249 V314	H90-Y316 AromaticContact CD2-CD1 3.56Å; H90-Y316 AromaticContact NE2-CD1 3.77Å; H90-Y316 WeakPolarHBondContact O-CA 3.35Å; C91-Y316 HydrophobicContact CB-CD1 3.87Å; C91-Y316 HydrophobicContact CB-CE1 3.41Å; C91-Y316 VanDerWaalsContact CB-CE1 3.41Å; A244-Y316 CarbonylContact C-O 3.53Å; A244-Y316 WeakPolarHBondContact CA-O 3.48Å; K245-Y316 PolarHBondContact N-O 2.85Å; K245-Y316 PolarHBondContact O-N 2.98Å; N249-Y316 PolarHBondContact OD1-OH 3.08Å; V314-Y316 HydrophobicContact CB-CE2 4.19Å; V314-Y316 HydrophobicContact CG1-CD2 4.29Å; V314-Y316 HydrophobicContact CG1-CE2 3.46Å; V314-Y316 VanDerWaalsContact CG1-CE2 3.46Å
317	E	98	Very high	98	Very high	14 Å²	14	40.8 Å²	40.8	7%	0.065	21%	0.21	C	C	.	.			trans	-76.1	-179.9	155.6	-73.8	-75.4	124.6	0	0	110.3	H90 S238 E241 G242 K243 A244 D321 V323	H90-E317 HydrophobicContact CB-CB 4.34Å; H90-E317 PolarHBondContact O-N 2.86Å; S238-E317 WeakPolarHBondContact OG-CG 3.14Å; S238-E317 PolarHBondContact OG-OE2 3.04Å; E241-E317 PolarHBondContact N-OE2 2.73Å; E241-E317 VanDerWaalsContact N-OE2 3.15Å; G242-E317 VanDerWaalsContact C-OE1 3.25Å; G242-E317 WeakPolarHBondContact CA-OE1 3.37Å; G242-E317 PolarHBondContact N-OE1 2.75Å; G242-E317 PolarHBondContact N-OE2 3.08Å; G242-E317 VanDerWaalsContact N-OE2 3.09Å; K243-E317 PolarHBondContact N-OE1 3.28Å; A244-E317 HydrophobicContact CB-CG 4.5Å; A244-E317 PolarHBondContact N-OE1 3.35Å; A244-E317 VanDerWaalsContact N-OE1 3.1Å; E317-D321 HydrophobicContact CB-CB 3.94Å; E317-V323 HydrophobicContact CB-CG2 4.1Å; E317-V323 HydrophobicContact CG-CG2 3.39Å
318	R	97.3	Very high	98.1	Very high	141 Å²	141	36.1 Å²	36.1	53%	0.532	19%	0.185	S	C	.	.			trans	-66.1	151.1	173.6	-62.3	-177.9	-68.2	-140.1	-3.8	110.3	H90 E241 G320 D321	H90-R318 VanDerWaalsContact CB-O 3.3Å; H90-R318 WeakPolarHBondContact CB-O 3.39Å; E241-R318 IonicContact OE1-CZ 3.47Å; E241-R318 IonicContact OE1-NH1 2.97Å; E241-R318 PolarHBondContact OE1-NH1 3.46Å; E241-R318 IonicContact OE1-NH2 4Å; E241-R318 PolarHBondContact OE1-NH2 2.91Å; R318-G320 PolarHBondContact O-N 3.5Å; R318-D321 IonicContact NE-OD2 3.52Å; R318-D321 PolarHBondContact NE-OD2 3.49Å; R318-D321 IonicContact NH2-OD2 2.67Å; R318-D321 WeakPolarHBondContact O-CB 3.37Å; R318-D321 PolarHBondContact O-N 3.3Å; R318-D321 VanDerWaalsContact O-N 3.08Å
319	E	95.9	Very high	98.1	Very high	174 Å²	174	36 Å²	36	81%	0.813	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	137.3	170.1	-169.8	172.9	-175	0	0	110.3	D321	E319-D321 VanDerWaalsContact C-N 3.32Å
320	G	96.5	Very high	98.1	Very high	73 Å²	73	35.8 Å²	35.8	75%	0.753	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.3	-23.5	-172.3	0	0	0	0	0	114.6	R318	R318-G320 PolarHBondContact O-N 3.5Å
321	D	98.1	Very high	98.2	Very high	27 Å²	27	32.3 Å²	32.3	14%	0.144	17%	0.169	C	C	.	.			trans	-77.9	157.7	169.4	-68.4	-43.4	0	0	0	110.7	H90 G240 E317 R318 E319	H90-D321 WeakPolarHBondContact CA-O 3.32Å; H90-D321 VanDerWaalsContact CB-O 3.3Å; H90-D321 WeakPolarHBondContact CB-O 3.49Å; H90-D321 PolarHBondContact N-O 3.12Å; G240-D321 VanDerWaalsContact CA-CG 3.46Å; G240-D321 WeakPolarHBondContact CA-OD1 3.43Å; E317-D321 HydrophobicContact CB-CB 3.94Å; R318-D321 IonicContact NE-OD2 3.52Å; R318-D321 PolarHBondContact NE-OD2 3.49Å; R318-D321 IonicContact NH2-OD2 2.67Å; R318-D321 WeakPolarHBondContact O-CB 3.37Å; R318-D321 PolarHBondContact O-N 3.3Å; R318-D321 VanDerWaalsContact O-N 3.08Å; E319-D321 VanDerWaalsContact C-N 3.32Å
322	V	98.2	Very high	98.2	Very high	18 Å²	18	30.7 Å²	30.7	11%	0.109	16%	0.158	C	C	.	.			trans	-123.6	136	178.2	170.5	0	0	0	0	108.9	V111 S238 T239 V324	V111-V322 HydrophobicContact CB-CG1 3.82Å; V111-V322 HydrophobicContact CG1-CG1 3.84Å; V111-V322 HydrophobicContact CG2-CG1 3.66Å; S238-V322 WeakPolarHBondContact CA-O 3.28Å; T239-V322 HydrophobicContact CG2-CB 4.07Å; T239-V322 PolarHBondContact N-O 3.29Å; T239-V322 PolarHBondContact OG1-N 3.33Å; V322-V324 HydrophobicContact CG1-CG2 4.3Å
323	V	98.8	Very high	98.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.2	169.6	-176.3	0	0	0	0	110	N89 A92 K113 V189 I237 E317	N89-V323 PolarHBondContact O-N 3.37Å; A92-V323 HydrophobicContact CB-CB 4.33Å; A92-V323 HydrophobicContact CB-CG1 4.09Å; A92-V323 HydrophobicContact CB-CG2 4.05Å; K113-V323 HydrophobicContact CD-CB 4.38Å; K113-V323 HydrophobicContact CD-CG1 4.14Å; K113-V323 VanDerWaalsContact CD-O 3.26Å; K113-V323 WeakPolarHBondContact CD-O 3.49Å; K113-V323 WeakPolarHBondContact CE-O 3.44Å; K113-V323 PolarHBondContact NZ-O 2.9Å; V189-V323 HydrophobicContact CG2-CG1 4.1Å; I237-V323 CarbonylContact O-C 3.56Å; I237-V323 WeakPolarHBondContact O-CA 3.46Å; E317-V323 HydrophobicContact CB-CG2 4.1Å; E317-V323 HydrophobicContact CG-CG2 3.39Å
324	V	98.9	Very high	98.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.6	173.8	176.3	0	0	0	0	109.4	V111 A148 M149 A152 Y236 I237 V322 F326	V111-V324 HydrophobicContact CG1-CG2 4.14Å; A148-V324 HydrophobicContact CB-CB 4.33Å; A148-V324 HydrophobicContact CB-CG2 3.62Å; M149-V324 HydrophobicContact CG-CG1 4.47Å; M149-V324 HydrophobicContact CG-CG2 3.88Å; M149-V324 HydrophobicContact SD-CB 4.14Å; M149-V324 HydrophobicContact SD-CG1 3.45Å; M149-V324 WeakPolarHBondContact SD-CG1 3.34Å; M149-V324 HydrophobicContact SD-CG2 3.52Å; M149-V324 VanDerWaalsContact SD-CG2 3.52Å; A152-V324 HydrophobicContact CB-CB 4.03Å; A152-V324 HydrophobicContact CB-CG1 3.43Å; A152-V324 VanDerWaalsContact CB-CG1 3.43Å; Y236-V324 CarbonylContact C-O 3.5Å; Y236-V324 VanDerWaalsContact CA-O 3.31Å; Y236-V324 WeakPolarHBondContact CA-O 3.26Å; I237-V324 PolarHBondContact N-O 3.27Å; I237-V324 PolarHBondContact O-N 3.46Å; V322-V324 HydrophobicContact CG1-CG2 4.3Å; V324-F326 HydrophobicContact CG1-CD2 4.08Å; V324-F326 HydrophobicContact CG1-CE2 3.7Å; V324-F326 HydrophobicContact CG1-CZ 4.41Å
325	H	98.8	Very high	97.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.3	176.4	177.7	50.3	0	0	0	112.4	K113 E115 H129 S130 V235 Y236 K327	K113-H325 HydrophobicContact CB-CB 4.28Å; K113-H325 HydrophobicContact CD-CB 3.69Å; K113-H325 HydrophobicContact CG-CB 3.85Å; E115-H325 IonicContact OE2-NE2 3.85Å; H129-H325 CarbonylContact C-O 3.49Å; S130-H325 PolarHBondContact N-O 3.5Å; S130-H325 VanDerWaalsContact N-O 3.08Å; S130-H325 PolarHBondContact OG-N 3.36Å; S130-H325 PolarHBondContact OG-O 2.72Å; V235-H325 VanDerWaalsContact O-CA 3.3Å; V235-H325 WeakPolarHBondContact O-CA 3.36Å; V235-H325 PolarHBondContact O-ND1 2.88Å; Y236-H325 HydrophobicContact CD1-CB 3.69Å; Y236-H325 AromaticContact CD1-CG 3.68Å; Y236-H325 AromaticContact CD1-ND1 3.54Å; Y236-H325 AromaticContact CD2-ND1 3.63Å; Y236-H325 HydrophobicContact CE1-CB 3.76Å; Y236-H325 AromaticContact CE1-CD2 3.81Å; Y236-H325 AromaticContact CE1-CE1 3.69Å; Y236-H325 AromaticContact CE1-CG 3.33Å; Y236-H325 AromaticContact CE1-ND1 3.28Å; Y236-H325 VanDerWaalsContact CE1-ND1 3.28Å; Y236-H325 WeakPolarHBondContact CE1-ND1 3.37Å; Y236-H325 AromaticContact CE2-CE1 3.38Å; Y236-H325 WeakPolarHBondContact CE2-CE1 3.36Å; Y236-H325 AromaticContact CE2-ND1 3.4Å; Y236-H325 WeakPolarHBondContact CE2-ND1 3.45Å; Y236-H325 HydrophobicContact CG-CB 4.42Å; Y236-H325 AromaticContact CG-ND1 3.71Å; Y236-H325 AromaticContact CZ-CD2 3.93Å; Y236-H325 AromaticContact CZ-CE1 3.16Å; Y236-H325 AromaticContact CZ-CG 3.68Å; Y236-H325 AromaticContact CZ-ND1 3.21Å; Y236-H325 AromaticContact CZ-NE2 3.67Å; Y236-H325 PolarHBondContact OH-CE1 2.85Å; Y236-H325 VanDerWaalsContact OH-CE1 3.24Å; Y236-H325 PolarHBondContact OH-NE2 3.28Å; H325-K327 WeakPolarHBondContact NE2-CB 3.44Å
326	F	98.9	Very high	97.8	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	141.5	163.8	-67.1	-73.2	0	0	0	110.1	G128 H129 M149 A152 H153 L156 G234 V235 V324 F345	G128-F326 WeakPolarHBondContact O-CA 3.35Å; H129-F326 AromaticContact CE1-CE1 3.69Å; H129-F326 AromaticContact CG-CE1 3.92Å; H129-F326 AromaticContact ND1-CD1 3.76Å; H129-F326 AromaticContact ND1-CE1 3.62Å; M149-F326 HydrophobicContact CE-CZ 4.02Å; M149-F326 HydrophobicContact SD-CZ 4.36Å; A152-F326 HydrophobicContact CB-CD2 3.63Å; A152-F326 HydrophobicContact CB-CE2 3.97Å; H153-F326 HydrophobicContact CB-CE2 4.23Å; L156-F326 HydrophobicContact CB-CB 4.45Å; L156-F326 HydrophobicContact CD2-CB 3.57Å; G234-F326 CarbonylContact C-O 3.56Å; G234-F326 WeakPolarHBondContact CA-O 3.29Å; V235-F326 HydrophobicContact CG2-CB 4.32Å; V235-F326 PolarHBondContact N-O 3.46Å; V235-F326 PolarHBondContact O-N 3.07Å; V324-F326 HydrophobicContact CG1-CD2 4.08Å; V324-F326 HydrophobicContact CG1-CE2 3.7Å; V324-F326 HydrophobicContact CG1-CZ 4.41Å; F326-F345 HydrophobicContact CE1-CD2 4.01Å; F326-F345 HydrophobicContact CE1-CE2 4.42Å; F326-F345 AromaticContact CZ-CD2 3.67Å; F326-F345 HydrophobicContact CZ-CD2 3.67Å; F326-F345 AromaticContact CZ-CE2 3.68Å; F326-F345 HydrophobicContact CZ-CE2 3.68Å; F326-F345 HydrophobicContact CZ-CG 4.23Å; F326-F345 HydrophobicContact CZ-CZ 4.23Å
327	K	98.9	Very high	97.8	Very high	21 Å²	21	31.4 Å²	31.4	9%	0.091	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	139.9	178.5	177.8	175.6	-166.5	171.1	0	112.3	E115 S126 G128 I233 H325	E115-K327 IonicContact OE1-NZ 3.56Å; E115-K327 PolarHBondContact OE1-NZ 3.46Å; S126-K327 VanDerWaalsContact OG-CE 3.23Å; S126-K327 WeakPolarHBondContact OG-CE 3.46Å; G128-K327 PolarHBondContact N-O 3.1Å; G128-K327 PolarHBondContact O-N 3.39Å; I233-K327 CarbonylContact O-C 3.53Å; I233-K327 WeakPolarHBondContact O-CA 3.35Å; I233-K327 WeakPolarHBondContact O-CG 3.33Å; H325-K327 WeakPolarHBondContact NE2-CB 3.44Å
328	T	98.9	Very high	97.8	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.025	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.4	179.7	-173	0	0	0	0	110.6	L156 V160 I233 V330 K339 T341	L156-T328 HydrophobicContact CD1-CG2 4.06Å; L156-T328 HydrophobicContact CD2-CG2 4.21Å; L156-T328 HydrophobicContact CG-CG2 4.36Å; V160-T328 HydrophobicContact CG2-CG2 3.7Å; I233-T328 PolarHBondContact N-O 3.32Å; I233-T328 PolarHBondContact O-N 3.02Å; T328-V330 HydrophobicContact CG2-CG2 3.85Å; T328-K339 HydrophobicContact CG2-CD 3.97Å; T328-K339 HydrophobicContact CG2-CG 4.21Å; T328-T341 WeakPolarHBondContact CA-OG1 3.5Å; T328-T341 PolarHBondContact OG1-O 3.45Å
329	T	98.9	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.5	170.3	-57.7	0	0	0	0	109.2	S126 L197 V230 Y231 K339 I340 T341	S126-T329 PolarHBondContact N-OG1 3.05Å; S126-T329 PolarHBondContact O-N 2.84Å; S126-T329 PolarHBondContact O-OG1 3.18Å; L197-T329 HydrophobicContact CD1-CG2 3.82Å; V230-T329 HydrophobicContact CG1-CG2 3.79Å; Y231-T329 CarbonylContact O-C 3.57Å; Y231-T329 VanDerWaalsContact O-CA 3.25Å; Y231-T329 WeakPolarHBondContact O-CA 3.38Å; T329-K339 WeakPolarHBondContact O-CA 3.4Å; T329-I340 HydrophobicContact CG2-CD1 3.77Å; T329-I340 HydrophobicContact CG2-CG1 3.87Å; T329-I340 WeakPolarHBondContact O-CG1 3.49Å; T329-I340 PolarHBondContact O-N 2.66Å; T329-T341 PolarHBondContact N-OG1 3.04Å
330	V	98.8	Very high	98	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.5	-175.9	-169.7	0	0	0	0	109.9	V160 L163 V230 Y231 I233 T328 L337 I338 K339	V160-V330 HydrophobicContact CG1-CG1 4.24Å; V160-V330 HydrophobicContact CG1-CG2 3.99Å; V160-V330 HydrophobicContact CG2-CG2 3.9Å; L163-V330 HydrophobicContact CD1-CB 3.77Å; L163-V330 HydrophobicContact CD1-CG1 3.9Å; L163-V330 HydrophobicContact CD1-CG2 3.95Å; V230-V330 WeakPolarHBondContact CA-O 3.44Å; Y231-V330 PolarHBondContact N-O 3.43Å; Y231-V330 PolarHBondContact O-N 3.19Å; I233-V330 HydrophobicContact CG1-CG2 4.22Å; T328-V330 HydrophobicContact CG2-CG2 3.85Å; V330-L337 HydrophobicContact CG1-CB 4.15Å; V330-I338 WeakPolarHBondContact CA-O 3.36Å; V330-K339 HydrophobicContact CG2-CG 4.39Å
331	L	98.6	Very high	98.1	Very high	1 Å²	1	21 Å²	21	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	126.3	168.6	-50.6	-172.4	0	0	0	109.2	I19 V25 H28 V230 L333 L337 I338 I340	I19-L331 HydrophobicContact CD1-CB 3.79Å; I19-L331 HydrophobicContact CD1-CD2 4.38Å; I19-L331 HydrophobicContact CG2-CD2 4.26Å; V25-L331 HydrophobicContact CG1-CD1 4.01Å; H28-L331 HydrophobicContact CB-CD2 4.44Å; V230-L331 HydrophobicContact CB-CD2 4.27Å; V230-L331 HydrophobicContact CG1-CD2 3.72Å; V230-L331 HydrophobicContact CG2-CD2 3.66Å; L331-L333 HydrophobicContact CB-CG 4.49Å; L331-L337 WeakPolarHBondContact O-CA 3.21Å; L331-I338 HydrophobicContact CB-CB 4.35Å; L331-I338 PolarHBondContact N-O 2.88Å; L331-I338 PolarHBondContact O-N 3.06Å; L331-I340 HydrophobicContact CD1-CG2 3.84Å; L331-I340 HydrophobicContact CD2-CD1 4Å; L331-I340 HydrophobicContact CG-CD1 4.28Å; L331-I340 HydrophobicContact CG-CG2 3.94Å
332	I	98	Very high	98.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	104.5	172.8	-49.8	-175.6	0	0	0	108.3	I19 L163 F225 E226 Y228 E229 Y231 L337	I19-I332 WeakPolarHBondContact CD1-O 3.47Å; L163-I332 HydrophobicContact CB-CD1 3.92Å; L163-I332 HydrophobicContact CB-CG1 4.33Å; L163-I332 WeakPolarHBondContact O-CD1 3.36Å; F225-I332 HydrophobicContact CB-CD1 4.02Å; E226-I332 WeakPolarHBondContact O-CG2 3.47Å; Y228-I332 WeakPolarHBondContact CA-O 3.41Å; Y228-I332 PolarHBondContact N-O 3.42Å; E229-I332 HydrophobicContact CB-CD1 4.18Å; E229-I332 PolarHBondContact O-N 3.19Å; Y231-I332 HydrophobicContact CD2-CD1 3.81Å; Y231-I332 HydrophobicContact CD2-CG1 4.36Å; Y231-I332 HydrophobicContact CE2-CD1 3.64Å; I332-L337 HydrophobicContact CB-CD2 4.34Å; I332-L337 HydrophobicContact CG1-CD2 4.19Å; I332-L337 HydrophobicContact CG2-CD2 4.02Å
333	L	96.9	Very high	98	Very high	26 Å²	26	22.1 Å²	22.1	14%	0.136	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	158.8	177.5	-66.1	171.7	0	0	0	110.4	I19 Y228 L331 S335 G336 I338	I19-L333 HydrophobicContact CB-CD2 4.48Å; I19-L333 HydrophobicContact CD1-CD2 3.79Å; I19-L333 HydrophobicContact CD1-CG 4.27Å; I19-L333 HydrophobicContact CG1-CD2 4.23Å; Y228-L333 HydrophobicContact CD1-CD2 4.12Å; Y228-L333 HydrophobicContact CE1-CD2 4.33Å; L331-L333 HydrophobicContact CB-CG 4.49Å; L333-S335 PolarHBondContact O-N 3.44Å; L333-S335 VanDerWaalsContact O-N 3.08Å; L333-G336 PolarHBondContact N-O 3.2Å; L333-G336 CarbonylContact O-C 3.58Å; L333-G336 WeakPolarHBondContact O-CA 3.2Å; L333-G336 PolarHBondContact O-N 2.97Å; L333-I338 HydrophobicContact CD1-CD1 3.6Å; L333-I338 HydrophobicContact CD1-CG1 4.3Å
334	P	95.8	Very high	97.8	Very high	65 Å²	65	28 Å²	28	42%	0.422	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.9	173.8	-27.3	34.8	0	0	0	113.8	Y228 G336 T371	Y228-P334 HydrophobicContact CE1-CG 3.96Å; Y228-P334 WeakPolarHBondContact OH-CG 3.25Å; P334-G336 VanDerWaalsContact C-N 3.26Å; P334-G336 PolarHBondContact O-N 3.42Å; P334-T371 PolarHBondContact O-OG1 3.46Å
335	S	95.2	Very high	97.7	Very high	76 Å²	76	29.4 Å²	29.4	53%	0.531	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.8	176.6	58.4	0	0	0	0	113.9	L333 T371	L333-S335 PolarHBondContact O-N 3.44Å; L333-S335 VanDerWaalsContact O-N 3.08Å; S335-T371 PolarHBondContact O-N 2.74Å
336	G	96.9	Very high	97.5	Very high	3 Å²	3	35.4 Å²	35.4	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	125.9	-161.2	-179.9	0	0	0	0	0	112.4	L333 P334 L369 T371	L333-G336 PolarHBondContact N-O 3.2Å; L333-G336 CarbonylContact O-C 3.58Å; L333-G336 WeakPolarHBondContact O-CA 3.2Å; L333-G336 PolarHBondContact O-N 2.97Å; P334-G336 VanDerWaalsContact C-N 3.26Å; P334-G336 PolarHBondContact O-N 3.42Å; G336-L369 WeakPolarHBondContact CA-O 3.48Å; G336-T371 WeakPolarHBondContact CA-OG1 3.47Å; G336-T371 PolarHBondContact N-OG1 2.65Å
337	L	98.1	Very high	97.3	Very high	9 Å²	9	37.2 Å²	37.2	5%	0.047	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	135.9	-173.3	-48.7	179.3	0	0	0	110.7	V160 L163 R164 V330 L331 I332 L369	V160-L337 WeakPolarHBondContact O-CD1 3.18Å; L163-L337 HydrophobicContact CB-CD1 4.44Å; L163-L337 HydrophobicContact CB-CD2 4.5Å; L163-L337 WeakPolarHBondContact O-CD2 3.42Å; R164-L337 HydrophobicContact CG-CD1 4.06Å; R164-L337 HydrophobicContact CG-CD2 4.28Å; R164-L337 HydrophobicContact CG-CG 4.4Å; V330-L337 HydrophobicContact CG1-CB 4.15Å; L331-L337 WeakPolarHBondContact O-CA 3.21Å; I332-L337 HydrophobicContact CB-CD2 4.34Å; I332-L337 HydrophobicContact CG1-CD2 4.19Å; I332-L337 HydrophobicContact CG2-CD2 4.02Å; L337-L369 HydrophobicContact CB-CB 4.27Å; L337-L369 HydrophobicContact CB-CD2 4.21Å; L337-L369 HydrophobicContact CD1-CD2 4.13Å; L337-L369 PolarHBondContact N-O 2.92Å
338	I	98	Very high	97.2	Very high	73 Å²	73	41.6 Å²	41.6	37%	0.374	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112	175.2	-52.9	-175.5	0	0	0	108.6	V330 L331 L333 I340	V330-I338 WeakPolarHBondContact CA-O 3.36Å; L331-I338 HydrophobicContact CB-CB 4.35Å; L331-I338 PolarHBondContact N-O 2.88Å; L331-I338 PolarHBondContact O-N 3.06Å; L333-I338 HydrophobicContact CD1-CD1 3.6Å; L333-I338 HydrophobicContact CD1-CG1 4.3Å; I338-I340 HydrophobicContact CG2-CG2 3.76Å; I338-I340 PolarHBondContact O-N 2.74Å
339	K	98.3	Very high	97	Very high	79 Å²	79	45 Å²	45	34%	0.343	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	113.1	163.6	-66	-168.5	-63.4	175.8	0	107.9	E157 V160 T328 T329 V330 L369	E157-K339 IonicContact OE1-NZ 3.58Å; E157-K339 PolarHBondContact OE1-NZ 2.69Å; E157-K339 IonicContact OE2-NZ 3.61Å; V160-K339 HydrophobicContact CG1-CD 4.16Å; V160-K339 HydrophobicContact CG1-CG 3.96Å; V160-K339 HydrophobicContact CG2-CD 4.28Å; T328-K339 HydrophobicContact CG2-CD 3.97Å; T328-K339 HydrophobicContact CG2-CG 4.21Å; T329-K339 WeakPolarHBondContact O-CA 3.4Å; V330-K339 HydrophobicContact CG2-CG 4.39Å; K339-L369 HydrophobicContact CG-CD1 4.42Å
340	I	98.7	Very high	96.9	Very high	25 Å²	25	46.1 Å²	46.1	13%	0.128	26%	0.256	C	S	.	.			trans	-94.4	-19	179.4	59.2	171.5	0	0	0	112.4	H28 A32 N36 T329 L331 I338	H28-I340 HydrophobicContact CB-CD1 3.83Å; A32-I340 HydrophobicContact CB-CB 3.91Å; A32-I340 HydrophobicContact CB-CD1 3.94Å; A32-I340 HydrophobicContact CB-CG1 3.96Å; A32-I340 WeakPolarHBondContact CB-O 3.34Å; N36-I340 PolarHBondContact ND2-O 2.99Å; T329-I340 HydrophobicContact CG2-CD1 3.77Å; T329-I340 HydrophobicContact CG2-CG1 3.87Å; T329-I340 WeakPolarHBondContact O-CG1 3.49Å; T329-I340 PolarHBondContact O-N 2.66Å; L331-I340 HydrophobicContact CD1-CG2 3.84Å; L331-I340 HydrophobicContact CD2-CD1 4Å; L331-I340 HydrophobicContact CG-CD1 4.28Å; L331-I340 HydrophobicContact CG-CG2 3.94Å; I338-I340 HydrophobicContact CG2-CG2 3.76Å; I338-I340 PolarHBondContact O-N 2.74Å
341	T	98.9	Very high	96.9	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.043	28%	0.278	C	S	.	.	S	Bend	trans	-120.6	158.6	177	63.1	0	0	0	0	114.1	A32 V35 N36 A125 S126 V127 T328 T329	A32-T341 HydrophobicContact CB-CG2 3.67Å; V35-T341 HydrophobicContact CG2-CG2 3.49Å; V35-T341 VanDerWaalsContact CG2-CG2 3.49Å; N36-T341 WeakPolarHBondContact OD1-CA 3.5Å; N36-T341 WeakPolarHBondContact OD1-CB 3.33Å; A125-T341 HydrophobicContact CB-CG2 3.76Å; S126-T341 PolarHBondContact O-OG1 3.47Å; V127-T341 HydrophobicContact CB-CG2 4.47Å; T328-T341 WeakPolarHBondContact CA-OG1 3.5Å; T328-T341 PolarHBondContact OG1-O 3.45Å; T329-T341 PolarHBondContact N-OG1 3.04Å
342	G	97.5	Very high	96.9	Very high	31 Å²	31	52.3 Å²	52.3	32%	0.32	29%	0.288	S	S	.	.			trans	111.5	161	178.9	0	0	0	0	0	112.1	N36	N36-G342 PolarHBondContact OD1-N 2.92Å
343	V	95.2	Very high	96.8	Very high	37 Å²	37	59 Å²	59	22%	0.224	33%	0.329	C	S	.	.			trans	-111.6	155	172.5	-60.6	0	0	0	0	109.8	L39 I43 H129 F345	L39-V343 HydrophobicContact CD2-CG1 4.2Å; L39-V343 HydrophobicContact CD2-CG2 4.47Å; I43-V343 HydrophobicContact CD1-CG2 3.57Å; H129-V343 VanDerWaalsContact CE1-CG2 3.4Å; H129-V343 WeakPolarHBondContact CE1-CG2 3.31Å; V343-F345 PolarHBondContact O-N 2.88Å
344	P	94.7	Very high	96.9	Very high	124 Å²	124	60.9 Å²	60.9	81%	0.805	34%	0.338	S	S	*	.			trans	-55.4	130	175.4	-25.4	35	0	0	0	111.7
345	F	96.7	Very high	97	Very high	29 Å²	29	64.3 Å²	64.3	13%	0.127	35%	0.346	C	S	.	.			trans	-92.5	123.3	173.4	-180	-111.4	0	0	0	109.7	M149 H153 F326 V343 T347 Y350	M149-F345 HydrophobicContact CB-CZ 4.13Å; M149-F345 HydrophobicContact CE-CE2 3.56Å; M149-F345 HydrophobicContact CE-CZ 3.99Å; H153-F345 HydrophobicContact CB-CD1 3.64Å; H153-F345 HydrophobicContact CB-CE1 3.73Å; H153-F345 HydrophobicContact CB-CG 4.49Å; H153-F345 AromaticContact CD2-CD1 3.92Å; H153-F345 AromaticContact CG-CD1 3.36Å; H153-F345 AromaticContact CG-CE1 3.91Å; H153-F345 AromaticContact ND1-CD1 3.46Å; H153-F345 WeakPolarHBondContact ND1-CD1 3.36Å; H153-F345 AromaticContact ND1-CG 3.91Å; F326-F345 HydrophobicContact CE1-CD2 4.01Å; F326-F345 HydrophobicContact CE1-CE2 4.42Å; F326-F345 AromaticContact CZ-CD2 3.67Å; F326-F345 HydrophobicContact CZ-CD2 3.67Å; F326-F345 AromaticContact CZ-CE2 3.68Å; F326-F345 HydrophobicContact CZ-CE2 3.68Å; F326-F345 HydrophobicContact CZ-CG 4.23Å; F326-F345 HydrophobicContact CZ-CZ 4.23Å; V343-F345 PolarHBondContact O-N 2.88Å; F345-T347 HydrophobicContact CD1-CG2 3.65Å; F345-T347 HydrophobicContact CE1-CG2 3.85Å; F345-T347 PolarHBondContact O-N 3.09Å; F345-Y350 HydrophobicContact CD2-CE2 4.4Å; F345-Y350 HydrophobicContact CE1-CD2 4.07Å; F345-Y350 HydrophobicContact CE1-CE2 4.16Å; F345-Y350 HydrophobicContact CE2-CD2 4.05Å; F345-Y350 AromaticContact CE2-CE2 3.3Å; F345-Y350 HydrophobicContact CE2-CE2 3.3Å; F345-Y350 AromaticContact CE2-CZ 3.65Å; F345-Y350 AromaticContact CZ-CD2 3.4Å; F345-Y350 HydrophobicContact CZ-CD2 3.4Å; F345-Y350 HydrophobicContact CZ-CE1 4.37Å; F345-Y350 AromaticContact CZ-CE2 3.15Å; F345-Y350 HydrophobicContact CZ-CE2 3.15Å; F345-Y350 HydrophobicContact CZ-CG 4.14Å; F345-Y350 AromaticContact CZ-CZ 3.7Å
346	K	94.9	Very high	97.1	Very high	127 Å²	127	61.3 Å²	61.3	55%	0.552	32%	0.324	S	S	*	.			trans	-84.7	83	-178.2	-68.7	-175.9	-177.7	179.7	0	110.7	E348 L349 Y350	K346-E348 WeakPolarHBondContact CA-OE2 3.49Å; K346-E348 VanDerWaalsContact CB-OE1 3.32Å; K346-E348 WeakPolarHBondContact CB-OE1 3.37Å; K346-E348 WeakPolarHBondContact CG-OE1 3.3Å; K346-E348 PolarHBondContact O-N 3.38Å; K346-L349 HydrophobicContact CB-CD1 3.81Å; K346-L349 HydrophobicContact CB-CG 3.95Å; K346-L349 HydrophobicContact CD-CD1 4Å; K346-L349 PolarHBondContact O-N 3.09Å; K346-Y350 WeakPolarHBondContact O-CD2 3.42Å; K346-Y350 WeakPolarHBondContact O-CE2 3.33Å
347	T	96.3	Very high	97.2	Very high	44 Å²	44	67.7 Å²	67.7	27%	0.27	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-57	-29.2	-178.2	48.2	0	0	0	0	113.3	L150 F345 L349 Y350	L150-T347 HydrophobicContact CD2-CG2 4.23Å; F345-T347 HydrophobicContact CD1-CG2 3.65Å; F345-T347 HydrophobicContact CE1-CG2 3.85Å; F345-T347 PolarHBondContact O-N 3.09Å; T347-L349 PolarHBondContact O-N 2.96Å; T347-Y350 PolarHBondContact O-N 2.74Å; T347-Y350 VanDerWaalsContact O-N 3.09Å
348	E	95.4	Very high	97.1	Very high	113 Å²	113	70 Å²	70	53%	0.528	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-65.6	-15.2	-179.4	68.4	-80.4	-173	0	0	114.7	K346 Y350	K346-E348 WeakPolarHBondContact CA-OE2 3.49Å; K346-E348 VanDerWaalsContact CB-OE1 3.32Å; K346-E348 WeakPolarHBondContact CB-OE1 3.37Å; K346-E348 WeakPolarHBondContact CG-OE1 3.3Å; K346-E348 PolarHBondContact O-N 3.38Å; E348-Y350 VanDerWaalsContact C-N 3.28Å
349	L	95.3	Very high	97.1	Very high	76 Å²	76	71.3 Å²	71.3	40%	0.398	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-80.9	-8.4	174.6	-61.3	-179.2	0	0	0	113	K140 I141 K346 T347	K140-L349 WeakPolarHBondContact CA-O 3.43Å; I141-L349 PolarHBondContact N-O 2.8Å; K346-L349 HydrophobicContact CB-CD1 3.81Å; K346-L349 HydrophobicContact CB-CG 3.95Å; K346-L349 HydrophobicContact CD-CD1 4Å; K346-L349 PolarHBondContact O-N 3.09Å; T347-L349 PolarHBondContact O-N 2.96Å
350	Y	97.7	Very high	97.1	Very high	23 Å²	23	72.7 Å²	72.7	9%	0.09	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.8	-173.6	-58.2	-91.8	0	0	0	110.7	V132 I141 A146 M149 F345 K346 T347 E348	V132-Y350 HydrophobicContact CG2-CE1 4.15Å; I141-Y350 HydrophobicContact CB-CD1 3.82Å; I141-Y350 HydrophobicContact CB-CE1 4.05Å; I141-Y350 HydrophobicContact CD1-CD1 4.02Å; I141-Y350 HydrophobicContact CD1-CE1 3.42Å; I141-Y350 VanDerWaalsContact CD1-CE1 3.42Å; I141-Y350 HydrophobicContact CG1-CE1 4.32Å; I141-Y350 HydrophobicContact CG2-CD1 3.9Å; I141-Y350 HydrophobicContact CG2-CE1 4.1Å; I141-Y350 CarbonylContact O-C 3.49Å; I141-Y350 WeakPolarHBondContact O-CA 3.32Å; A146-Y350 HydrophobicContact CB-CD1 4.44Å; M149-Y350 HydrophobicContact CB-CD1 3.63Å; M149-Y350 HydrophobicContact CB-CE1 3.68Å; M149-Y350 HydrophobicContact CB-CG 4.25Å; M149-Y350 HydrophobicContact CE-CE1 3.61Å; M149-Y350 HydrophobicContact CE-CE2 4.39Å; M149-Y350 VanDerWaalsContact CE-CZ 3.45Å; M149-Y350 WeakPolarHBondContact CE-OH 3.4Å; M149-Y350 HydrophobicContact CG-CD1 3.97Å; M149-Y350 HydrophobicContact CG-CE1 3.58Å; M149-Y350 HydrophobicContact SD-CE1 4.46Å; F345-Y350 HydrophobicContact CD2-CE2 4.4Å; F345-Y350 HydrophobicContact CE1-CD2 4.07Å; F345-Y350 HydrophobicContact CE1-CE2 4.16Å; F345-Y350 HydrophobicContact CE2-CD2 4.05Å; F345-Y350 AromaticContact CE2-CE2 3.3Å; F345-Y350 HydrophobicContact CE2-CE2 3.3Å; F345-Y350 AromaticContact CE2-CZ 3.65Å; F345-Y350 AromaticContact CZ-CD2 3.4Å; F345-Y350 HydrophobicContact CZ-CD2 3.4Å; F345-Y350 HydrophobicContact CZ-CE1 4.37Å; F345-Y350 AromaticContact CZ-CE2 3.15Å; F345-Y350 HydrophobicContact CZ-CE2 3.15Å; F345-Y350 HydrophobicContact CZ-CG 4.14Å; F345-Y350 AromaticContact CZ-CZ 3.7Å; K346-Y350 WeakPolarHBondContact O-CD2 3.42Å; K346-Y350 WeakPolarHBondContact O-CE2 3.33Å; T347-Y350 PolarHBondContact O-N 2.74Å; T347-Y350 VanDerWaalsContact O-N 3.09Å; E348-Y350 VanDerWaalsContact C-N 3.28Å
351	E	97.5	Very high	97.1	Very high	99 Å²	99	71.8 Å²	71.8	46%	0.463	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.2	179.5	-66.1	-172.2	161.6	0	0	110.7	K140 I141 S142 A146	K140-E351 HydrophobicContact CB-CG 4.36Å; K140-E351 VanDerWaalsContact CD-CD 3.4Å; K140-E351 HydrophobicContact CD-CG 3.78Å; K140-E351 WeakPolarHBondContact CD-OE1 3.38Å; K140-E351 WeakPolarHBondContact CE-OE1 3.36Å; K140-E351 IonicContact NZ-OE1 3.9Å; K140-E351 PolarHBondContact NZ-OE1 3.27Å; I141-E351 PolarHBondContact O-N 3.07Å; S142-E351 WeakPolarHBondContact CA-O 3.46Å; A146-E351 VanDerWaalsContact CB-O 3.29Å; A146-E351 WeakPolarHBondContact CB-O 3.31Å
352	S	98	Very high	97.1	Very high	32 Å²	32	74.7 Å²	74.7	22%	0.224	40%	0.396	C	S	.	.			trans	-116.9	146	175.1	177.6	0	0	0	0	110.3	D147 H354	D147-S352 VanDerWaalsContact OD1-CB 3.22Å; D147-S352 WeakPolarHBondContact OD1-CB 3.37Å; D147-S352 PolarHBondContact OD1-OG 2.92Å; S352-H354 WeakPolarHBondContact OG-CB 3.2Å; S352-H354 PolarHBondContact OG-N 3.37Å; S352-H354 PolarHBondContact OG-O 3.19Å
353	T	97.9	Very high	97.1	Very high	140 Å²	140	81.9 Å²	81.9	86%	0.859	41%	0.414	S	S	*	.	S	Bend	trans	-79.1	-13	168.9	64.7	0	0	0	0	112.1
354	H	98.3	Very high	97.2	Very high	67 Å²	67	81.6 Å²	81.6	31%	0.31	41%	0.411	S	S	.	.			trans	-92.8	155.7	175.9	-60	-77.8	0	0	0	111.6	D147 A183 Y184 S352	D147-H354 IonicContact OD1-CD2 3.9Å; D147-H354 IonicContact OD2-CD2 3.49Å; A183-H354 WeakPolarHBondContact O-CB 3.31Å; Y184-H354 HydrophobicContact CD1-CB 3.83Å; Y184-H354 HydrophobicContact CE1-CB 4.42Å; Y184-H354 WeakPolarHBondContact CE1-O 3.33Å; Y184-H354 HydrophobicContact CG-CB 4.38Å; S352-H354 WeakPolarHBondContact OG-CB 3.2Å; S352-H354 PolarHBondContact OG-N 3.37Å; S352-H354 PolarHBondContact OG-O 3.19Å
355	K	97.2	Very high	97.3	Very high	136 Å²	136	76.9 Å²	76.9	59%	0.591	38%	0.379	S	S	*	.			trans	-156.7	157.1	177.1	63.5	-174.7	-179.8	-176.8	0	110.1	E357	K355-E357 HydrophobicContact CD-CG 4.48Å; K355-E357 WeakPolarHBondContact CE-OE1 3.34Å; K355-E357 HydrophobicContact CG-CG 3.9Å; K355-E357 IonicContact NZ-OE1 3.35Å; K355-E357 PolarHBondContact O-N 3.35Å
356	I	98.3	Very high	97.3	Very high	14 Å²	14	82.9 Å²	82.9	7%	0.072	41%	0.407	C	S	.	.			trans	-73.6	115.1	172.8	-57.3	172.1	0	0	0	108.6	Y154 I180 A183 Y184 L361 L362 L365	Y154-I356 HydrophobicContact CD2-CD1 4.09Å; Y154-I356 HydrophobicContact CG-CD1 3.97Å; I180-I356 HydrophobicContact CG1-CD1 4.35Å; I180-I356 HydrophobicContact CG2-CD1 3.98Å; A183-I356 HydrophobicContact CB-CG1 4.14Å; Y184-I356 HydrophobicContact CE2-CD1 4.1Å; Y184-I356 HydrophobicContact CE2-CG1 3.68Å; I356-L361 HydrophobicContact CG2-CB 3.62Å; I356-L361 HydrophobicContact CG2-CD1 4.09Å; I356-L362 HydrophobicContact CB-CD2 4.24Å; I356-L362 HydrophobicContact CG2-CD2 4.18Å; I356-L362 HydrophobicContact CG2-CG 4.15Å; I356-L362 WeakPolarHBondContact O-CD2 3.39Å; I356-L365 HydrophobicContact CD1-CD1 3.53Å
357	E	97.7	Very high	97.3	Very high	136 Å²	136	79.5 Å²	79.5	64%	0.636	40%	0.397	S	S	*	.			trans	-104.5	-20.5	178.4	-60.5	-168.9	138.4	0	0	113.1	K355 P359	K355-E357 HydrophobicContact CD-CG 4.48Å; K355-E357 WeakPolarHBondContact CE-OE1 3.34Å; K355-E357 HydrophobicContact CG-CG 3.9Å; K355-E357 IonicContact NZ-OE1 3.35Å; K355-E357 PolarHBondContact O-N 3.35Å; E357-P359 VanDerWaalsContact O-CD 3.29Å; E357-P359 WeakPolarHBondContact O-CD 3.44Å
358	N	97.7	Very high	97.3	Very high	58 Å²	58	81 Å²	81	31%	0.31	41%	0.409	S	S	.	.			trans	-62.6	120.5	-178.3	-178.8	-71.1	0	0	0	110.7	R179 E360 L361 L362	R179-N358 PolarHBondContact NH2-ND2 2.84Å; R179-N358 VanDerWaalsContact NH2-ND2 3.17Å; R179-N358 PolarHBondContact NH2-OD1 3.41Å; N358-E360 VanDerWaalsContact C-N 3.28Å; N358-E360 PolarHBondContact O-N 3.39Å; N358-E360 WeakPolarHBondContact OD1-CA 3.18Å; N358-E360 VanDerWaalsContact OD1-CB 3.26Å; N358-E360 WeakPolarHBondContact OD1-CB 3.44Å; N358-E360 PolarHBondContact OD1-N 3.03Å; N358-L361 HydrophobicContact CB-CB 4.23Å; N358-L361 HydrophobicContact CB-CD1 3.92Å; N358-L361 HydrophobicContact CB-CG 4Å; N358-L361 PolarHBondContact O-N 3.42Å; N358-L361 PolarHBondContact OD1-N 3.18Å; N358-L361 VanDerWaalsContact OD1-N 3.15Å; N358-L362 PolarHBondContact O-N 3.41Å
359	P	97.9	Very high	97.4	Very high	101 Å²	101	77.3 Å²	77.3	66%	0.656	39%	0.393	S	S	*	.	H	α-helix	trans	-61.6	-31.1	-175.7	-26.5	35.4	0	0	0	114.5	E357 R363	E357-P359 VanDerWaalsContact O-CD 3.29Å; E357-P359 WeakPolarHBondContact O-CD 3.44Å; P359-R363 VanDerWaalsContact O-CB 3.3Å; P359-R363 WeakPolarHBondContact O-CB 3.06Å; P359-R363 PolarHBondContact O-N 3.42Å
360	E	97.6	Very high	97.3	Very high	107 Å²	107	81.2 Å²	81.2	50%	0.5	41%	0.407	S	S	.	.	H	α-helix	trans	-69.5	-43.9	178.6	-54	174.4	154.8	0	0	111.1	R179 N358 R363 L364	R179-E360 IonicContact CZ-OE2 2.89Å; R179-E360 IonicContact NH1-OE2 2.9Å; R179-E360 IonicContact NH2-OE2 3.08Å; R179-E360 PolarHBondContact NH2-OE2 3.13Å; N358-E360 VanDerWaalsContact C-N 3.28Å; N358-E360 PolarHBondContact O-N 3.39Å; N358-E360 WeakPolarHBondContact OD1-CA 3.18Å; N358-E360 VanDerWaalsContact OD1-CB 3.26Å; N358-E360 WeakPolarHBondContact OD1-CB 3.44Å; N358-E360 PolarHBondContact OD1-N 3.03Å; E360-R363 PolarHBondContact O-N 2.64Å; E360-L364 WeakPolarHBondContact O-CB 2.95Å; E360-L364 PolarHBondContact O-N 3.24Å
361	L	98.2	Very high	96.7	Very high	7 Å²	7	83.3 Å²	83.3	4%	0.037	42%	0.422	C	S	.	.	H	α-helix	trans	-65.6	-43.6	176.8	-63.4	-179.3	0	0	0	111	V176 R179 I180 I356 N358 R363 L364 L365	V176-L361 HydrophobicContact CG1-CD2 4.09Å; V176-L361 HydrophobicContact CG2-CD2 4.43Å; R179-L361 HydrophobicContact CB-CD1 4.1Å; I180-L361 HydrophobicContact CD1-CD2 4.44Å; I180-L361 HydrophobicContact CG1-CD1 3.91Å; I180-L361 HydrophobicContact CG1-CD2 4.15Å; I180-L361 HydrophobicContact CG1-CG 4.5Å; I356-L361 HydrophobicContact CG2-CB 3.62Å; I356-L361 HydrophobicContact CG2-CD1 4.09Å; N358-L361 HydrophobicContact CB-CB 4.23Å; N358-L361 HydrophobicContact CB-CD1 3.92Å; N358-L361 HydrophobicContact CB-CG 4Å; N358-L361 PolarHBondContact O-N 3.42Å; N358-L361 PolarHBondContact OD1-N 3.18Å; N358-L361 VanDerWaalsContact OD1-N 3.15Å; L361-R363 PolarHBondContact O-N 2.76Å; L361-L364 WeakPolarHBondContact O-CB 3.23Å; L361-L364 PolarHBondContact O-N 3Å; L361-L365 WeakPolarHBondContact O-CG 3.14Å; L361-L365 PolarHBondContact O-N 3.24Å
362	L	98.4	Very high	95.6	Very high	67 Å²	67	84.1 Å²	84.1	35%	0.351	44%	0.436	S	S	.	.	H	α-helix	trans	-58.9	-47.8	174.1	-73.2	173.2	0	0	0	110.9	I356 N358 L364 L365 H366	I356-L362 HydrophobicContact CB-CD2 4.24Å; I356-L362 HydrophobicContact CG2-CD2 4.18Å; I356-L362 HydrophobicContact CG2-CG 4.15Å; I356-L362 WeakPolarHBondContact O-CD2 3.39Å; N358-L362 PolarHBondContact O-N 3.41Å; L362-L364 VanDerWaalsContact C-N 3.33Å; L362-L364 PolarHBondContact O-N 3.43Å; L362-L365 PolarHBondContact O-N 3.48Å; L362-H366 PolarHBondContact O-N 2.89Å; L362-H366 PolarHBondContact O-ND1 2.86Å
363	R	98	Very high	94.1	Very high	182 Å²	182	92.4 Å²	92.4	69%	0.687	47%	0.467	S	S	*	.	H	α-helix	trans	-59.3	-44.6	176.4	-175.5	-178.1	67	-169.7	-1.5	111.5	P359 E360 L361 L365 H366 V367	P359-R363 VanDerWaalsContact O-CB 3.3Å; P359-R363 WeakPolarHBondContact O-CB 3.06Å; P359-R363 PolarHBondContact O-N 3.42Å; E360-R363 PolarHBondContact O-N 2.64Å; L361-R363 PolarHBondContact O-N 2.76Å; R363-L365 PolarHBondContact O-N 3.07Å; R363-H366 PolarHBondContact O-N 3.13Å; R363-H366 VanDerWaalsContact O-N 3.16Å; R363-V367 PolarHBondContact O-N 3.35Å
364	L	97.3	Very high	92.1	Very high	31 Å²	31	95.4 Å²	95.4	16%	0.162	47%	0.469	C	S	.	.	H	α-helix	trans	-56.7	-47.9	177.8	175.9	58.9	0	0	0	111	A158 R161 M162 V176 E360 L361 L362 H366 V367	A158-L364 HydrophobicContact CB-CD2 3.81Å; A158-L364 HydrophobicContact CB-CG 4.26Å; R161-L364 HydrophobicContact CB-CD1 3.9Å; R161-L364 WeakPolarHBondContact CD-O 3.25Å; M162-L364 HydrophobicContact CG-CD1 4Å; M162-L364 HydrophobicContact CG-CD2 3.88Å; M162-L364 HydrophobicContact SD-CD2 3.95Å; V176-L364 HydrophobicContact CG1-CD2 3.9Å; E360-L364 WeakPolarHBondContact O-CB 2.95Å; E360-L364 PolarHBondContact O-N 3.24Å; L361-L364 WeakPolarHBondContact O-CB 3.23Å; L361-L364 PolarHBondContact O-N 3Å; L362-L364 VanDerWaalsContact C-N 3.33Å; L362-L364 PolarHBondContact O-N 3.43Å; L364-H366 PolarHBondContact O-N 3.13Å; L364-V367 WeakPolarHBondContact O-CB 3.41Å; L364-V367 WeakPolarHBondContact O-CG2 3.23Å; L364-V367 PolarHBondContact O-N 3.44Å
365	L	97.8	Very high	89.7	Confident	25 Å²	25	96.7 Å²	96.7	13%	0.131	49%	0.491	C	S	.	.	H	α-helix	trans	-62.1	-24.9	179.5	-70.8	169.9	0	0	0	114	Y154 E157 A158 R161 I356 L361 L362 R363	Y154-L365 HydrophobicContact CD1-CD1 4.08Å; Y154-L365 HydrophobicContact CD1-CD2 4.23Å; Y154-L365 HydrophobicContact CG-CD1 4.34Å; Y154-L365 WeakPolarHBondContact O-CD2 3.31Å; E157-L365 HydrophobicContact CB-CD2 3.88Å; A158-L365 HydrophobicContact CB-CD2 3.94Å; R161-L365 VanDerWaalsContact CZ-O 3.29Å; R161-L365 PolarHBondContact NE-O 2.64Å; R161-L365 PolarHBondContact NH2-O 3.45Å; R161-L365 VanDerWaalsContact NH2-O 3.16Å; I356-L365 HydrophobicContact CD1-CD1 3.53Å; L361-L365 WeakPolarHBondContact O-CG 3.14Å; L361-L365 PolarHBondContact O-N 3.24Å; L362-L365 PolarHBondContact O-N 3.48Å; R363-L365 PolarHBondContact O-N 3.07Å
366	H	96.7	Very high	87.1	Confident	155 Å²	155	99.9 Å²	99.9	72%	0.718	51%	0.505	S	S	*	.	H	α-helix	trans	-87.5	-6.9	176.2	-68.8	87.2	0	0	0	113.8	L362 R363 L364 S368	L362-H366 PolarHBondContact O-N 2.89Å; L362-H366 PolarHBondContact O-ND1 2.86Å; R363-H366 PolarHBondContact O-N 3.13Å; R363-H366 VanDerWaalsContact O-N 3.16Å; L364-H366 PolarHBondContact O-N 3.13Å; H366-S368 PolarHBondContact O-N 3.44Å
367	V	95	Very high	84.4	Confident	57 Å²	57	108.7 Å²	108.7	35%	0.345	54%	0.543	S	S	.	.	S	Bend	trans	-64.4	126.5	176.2	176.6	0	0	0	0	109.5	R161 R363 L364	R161-V367 VanDerWaalsContact CD-O 3.3Å; R161-V367 WeakPolarHBondContact CD-O 3.38Å; R161-V367 PolarHBondContact NE-O 3.29Å; R363-V367 PolarHBondContact O-N 3.35Å; L364-V367 WeakPolarHBondContact O-CB 3.41Å; L364-V367 WeakPolarHBondContact O-CG2 3.23Å; L364-V367 PolarHBondContact O-N 3.44Å
368	S	95.9	Very high	81.7	Confident	74 Å²	74	112 Å²	112	52%	0.517	55%	0.554	S	S	.	*			trans	-64.7	138.3	175.4	173.1	0	0	0	0	111.1	R164 H366 K370	R164-S368 PolarHBondContact NH2-O 2.83Å; H366-S368 PolarHBondContact O-N 3.44Å; S368-K370 PolarHBondContact O-N 2.88Å; S368-K370 PolarHBondContact OG-N 2.83Å; S368-K370 PolarHBondContact OG-O 2.96Å
369	L	96.7	Very high	79	Confident	36 Å²	36	118.1 Å²	118.1	19%	0.188	58%	0.582	C	S	.	*	S	Bend	trans	-61.4	-31.6	173.1	-65.1	-178.9	0	0	0	112.5	V160 R161 R164 G336 L337 K339	V160-L369 HydrophobicContact CG1-CD2 3.86Å; R161-L369 HydrophobicContact CG-CD2 3.65Å; R164-L369 PolarHBondContact NH1-O 2.74Å; R164-L369 PolarHBondContact NH2-O 2.79Å; G336-L369 WeakPolarHBondContact CA-O 3.48Å; L337-L369 HydrophobicContact CB-CB 4.27Å; L337-L369 HydrophobicContact CB-CD2 4.21Å; L337-L369 HydrophobicContact CD1-CD2 4.13Å; L337-L369 PolarHBondContact N-O 2.92Å; K339-L369 HydrophobicContact CG-CD1 4.42Å
370	K	93.9	Very high	76.3	Confident	159 Å²	159	117.6 Å²	117.6	69%	0.691	59%	0.585	S	S	*	*	B	Isolated β-bridge	trans	-77.7	139.3	177.3	-64.4	-176.4	179.3	178.5	0	111.8	S368	S368-K370 PolarHBondContact O-N 2.88Å; S368-K370 PolarHBondContact OG-N 2.83Å; S368-K370 PolarHBondContact OG-O 2.96Å
371	T	84.5	Confident	73.6	Confident	67 Å²	67	117.1 Å²	117.1	41%	0.411	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-67.5	129.6	171.2	-54.7	0	0	0	0	109.7	P334 S335 G336 K373	P334-T371 PolarHBondContact O-OG1 3.46Å; S335-T371 PolarHBondContact O-N 2.74Å; G336-T371 WeakPolarHBondContact CA-OG1 3.47Å; G336-T371 PolarHBondContact N-OG1 2.65Å; T371-K373 PolarHBondContact O-N 2.72Å
372	P	74.5	Confident	71	Confident	116 Å²	116	123.1 Å²	123.1	75%	0.753	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-58.9	131.2	175.4	-21.1	31.2	0	0	0	110.8	K374	P372-K374 PolarHBondContact O-N 3Å; P372-K374 VanDerWaalsContact O-N 3.11Å
373	K	67.3	Low	68.2	Low	205 Å²	205	126.9 Å²	126.9	89%	0.891	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-61.7	117.5	170.5	-71.1	-177.1	179.1	177.6	0	107.7	T371 A375	T371-K373 PolarHBondContact O-N 2.72Å; K373-A375 PolarHBondContact O-N 3.14Å; K373-A375 VanDerWaalsContact O-N 3.08Å
374	K	56.4	Low	65.4	Low	204 Å²	204	127.4 Å²	127.4	89%	0.887	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-52.3	120.8	168.1	-76.4	-178.1	179	175	0	107.4	P372 K376	P372-K374 PolarHBondContact O-N 3Å; P372-K374 VanDerWaalsContact O-N 3.11Å; K374-K376 PolarHBondContact O-N 2.77Å; K374-K376 VanDerWaalsContact O-N 3.07Å
375	A	47.4	Very low	62.7	Low	93 Å²	93	134.3 Å²	134.3	77%	0.769	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-55.3	120.1	171.6	0	0	0	0	0	107	K373 K377	K373-A375 PolarHBondContact O-N 3.14Å; K373-A375 VanDerWaalsContact O-N 3.08Å; A375-K377 PolarHBondContact O-N 3.26Å
376	K	43.1	Very low	60.1	Low	203 Å²	203	138.9 Å²	138.9	88%	0.883	73%	0.727	S	S	*	*			trans	-52.1	111.7	173.3	-76.4	-176.1	175.6	-176.6	0	106.4	K374 K378	K374-K376 PolarHBondContact O-N 2.77Å; K374-K376 VanDerWaalsContact O-N 3.07Å; K376-K378 PolarHBondContact O-N 2.89Å
377	K	41.3	Very low	57.7	Low	200 Å²	200	138 Å²	138	87%	0.87	73%	0.732	S	S	*	*			trans	-55.4	109.8	166.6	-82.2	-176.6	174.9	-179.2	0	104.9	A375 E379	A375-K377 PolarHBondContact O-N 3.26Å; K377-E379 VanDerWaalsContact C-N 3.34Å; K377-E379 PolarHBondContact O-N 3.14Å
378	K	40.5	Very low	55.4	Low	204 Å²	204	139.5 Å²	139.5	89%	0.887	75%	0.751	S	S	*	*			trans	-59.3	106.9	165.2	-79	-177.4	175.5	-180	0	104.6	K376 A380	K376-K378 PolarHBondContact O-N 2.89Å; K378-A380 PolarHBondContact O-N 3.23Å
379	E	40.7	Very low	52.8	Low	188 Å²	188	143.4 Å²	143.4	88%	0.879	77%	0.766	S	S	*	*			trans	-52.9	116.9	167.7	-77.8	177.8	150	0	0	106.7	K377 A381	K377-E379 VanDerWaalsContact C-N 3.34Å; K377-E379 PolarHBondContact O-N 3.14Å; E379-A381 PolarHBondContact O-N 3.2Å; E379-A381 VanDerWaalsContact O-N 3.09Å
380	A	41.7	Very low	50.4	Low	89 Å²	89	149.5 Å²	149.5	74%	0.736	80%	0.799	S	S	*	*			trans	-59	117.6	173.1	0	0	0	0	0	106.4	K378 V382	K378-A380 PolarHBondContact O-N 3.23Å; A380-V382 PolarHBondContact O-N 2.75Å
381	A	41.2	Very low	47.8	Very low	98 Å²	98	146.4 Å²	146.4	81%	0.81	80%	0.795	S	S	*	*			trans	-52.7	107.4	175.7	0	0	0	0	0	108.1	E379 N383	E379-A381 PolarHBondContact O-N 3.2Å; E379-A381 VanDerWaalsContact O-N 3.09Å; A381-N383 PolarHBondContact O-N 2.95Å
382	V	42.9	Very low	45.5	Very low	133 Å²	133	152 Å²	152	81%	0.806	82%	0.817	S	S	*	*			trans	-61.6	106	172.5	175.4	0	0	0	0	105.8	A380 K384	A380-V382 PolarHBondContact O-N 2.75Å; V382-K384 PolarHBondContact O-N 2.9Å
383	N	39	Very low	43.9	Very low	146 Å²	146	157 Å²	157	78%	0.781	85%	0.845	S	S	*	*			trans	-61.4	99.9	178.5	-158.4	8.6	0	0	0	107.3	A381 Q385	A381-N383 PolarHBondContact O-N 2.95Å; N383-Q385 PolarHBondContact O-N 3.26Å
384	K	39.1	Very low	42.8	Very low	193 Å²	193	154.7 Å²	154.7	84%	0.839	84%	0.843	S	S	*	*			trans	-65.4	98.9	173.6	-75.3	-175.6	177.2	-178.9	0	107.5	V382	V382-K384 PolarHBondContact O-N 2.9Å
385	Q	40.8	Very low	42.1	Very low	175 Å²	175	152.1 Å²	152.1	82%	0.818	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-65.7	129.8	164.3	-84.8	-176.3	-21.3	0	0	108.8	N383	N383-Q385 PolarHBondContact O-N 3.26Å
386	P	43.9	Very low	41.8	Very low	122 Å²	122	155.3 Å²	155.3	79%	0.792	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-73.2	129.3	-175.9	26.3	-30.5	0	0	0	110.7	A388	P386-A388 PolarHBondContact O-N 3.17Å
387	V	45.4	Very low	41.7	Very low	135 Å²	135	152.5 Å²	152.5	82%	0.818	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-63.5	117.2	170.3	178.9	0	0	0	0	107.8	N389	V387-N389 PolarHBondContact O-N 2.87Å
388	A	46.5	Very low	41.7	Very low	90 Å²	90	149.6 Å²	149.6	74%	0.744	84%	0.841	S	S	*	*			trans	-64.7	112.1	173.7	0	0	0	0	0	109.3	P386 N390	P386-A388 PolarHBondContact O-N 3.17Å; A388-N390 PolarHBondContact O-N 2.83Å
389	N	42.1	Very low	41.8	Very low	156 Å²	156	145.9 Å²	145.9	83%	0.834	84%	0.838	S	S	*	*			trans	-59.5	116.9	160.9	-89.1	-15.7	0	0	0	108	V387	V387-N389 PolarHBondContact O-N 2.87Å
390	N	46.4	Very low	41.9	Very low	163 Å²	163	142.9 Å²	142.9	87%	0.872	84%	0.835	S	S	*	*			trans	-105.7	115.1	163.6	-129.8	16	0	0	0	108.6	A388	A388-N390 PolarHBondContact O-N 2.83Å
391	P	40.1	Very low	41.9	Very low	95 Å²	95	147.1 Å²	147.1	62%	0.617	84%	0.842	S	S	*	*			trans	-89.2	151.4	177.7	33.9	-29.7	0	0	0	111.7
392	Q	35.5	Very low	41.9	Very low	185 Å²	185	151.2 Å²	151.2	86%	0.864	85%	0.845	S	S	*	*			trans	64.4	113.4	154.1	-67.3	173.9	-17.5	0	0	118.3
393	T	41.8	Very low	41.9	Very low	221 Å²	221	152.8 Å²	152.8	100%	1.356	85%	0.849	S	S	*	*				-157.1	0	98	41.2	0	0	0	0	109.5

Retrieved 393 of 393 residues in 1018.5 ms (Link to these results)

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