A0A077YZ15_TRITR Loading...

Exo endo phos domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZ15, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 353 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	36.2	Very low	35	Very low	248 Å²	248	149.2 Å²	149.2	100%	1.222	82%	0.817	S	S	*	*				0	95.4	0	-71.5	171	87.5	0	0	107.8
2	S	36.6	Very low	34.8	Very low	121 Å²	121	149.8 Å²	149.8	85%	0.846	82%	0.817	S	S	*	*			trans	-153.6	112.3	166.2	46.1	0	0	0	0	107.5
3	S	36.4	Very low	34.6	Very low	93 Å²	93	151.2 Å²	151.2	65%	0.65	82%	0.822	S	S	*	*			trans	-68	126.5	-173.6	51.1	0	0	0	0	111.3	F5	S3-F5 PolarHBondContact O-N 2.93Å
4	Q	39.8	Very low	34.5	Very low	184 Å²	184	148 Å²	148	86%	0.86	81%	0.809	S	S	*	*			trans	-72.2	111.4	163.9	-73.9	176.2	-21.7	0	0	108.6	V6	Q4-V6 PolarHBondContact O-N 3.15Å
5	F	38.3	Very low	34.1	Very low	176 Å²	176	142.9 Å²	142.9	77%	0.772	81%	0.805	S	S	*	*			trans	-74.2	99	169.9	-85	-90.9	0	0	0	108.9	S3	S3-F5 PolarHBondContact O-N 2.93Å
6	V	36.8	Very low	34.1	Very low	115 Å²	115	148 Å²	148	70%	0.697	81%	0.808	S	S	*	*			trans	-86	105	165.2	179.3	0	0	0	0	107	Q4 T8	Q4-V6 PolarHBondContact O-N 3.15Å; V6-T8 HydrophobicContact CG1-CG2 4.27Å; V6-T8 PolarHBondContact O-N 3.14Å; V6-T8 VanDerWaalsContact O-N 3.1Å
7	F	32.1	Very low	33.9	Very low	189 Å²	189	145.6 Å²	145.6	83%	0.829	80%	0.804	S	S	*	*			trans	-72.4	94.1	169.3	-103.2	-93.6	0	0	0	108.9	M9	F7-M9 PolarHBondContact O-N 3.47Å
8	T	33.6	Very low	34.1	Very low	121 Å²	121	146.8 Å²	146.8	74%	0.742	81%	0.808	S	S	*	*			trans	-77.3	97.3	163.1	45.3	0	0	0	0	108.3	V6 S10	V6-T8 HydrophobicContact CG1-CG2 4.27Å; V6-T8 PolarHBondContact O-N 3.14Å; V6-T8 VanDerWaalsContact O-N 3.1Å; T8-S10 PolarHBondContact O-N 3.39Å; T8-S10 VanDerWaalsContact O-N 3.15Å
9	M	32.3	Very low	34	Very low	174 Å²	174	142.2 Å²	142.2	86%	0.857	80%	0.798	S	S	*	*			trans	-76.1	98	169.9	-138.7	161.5	91.6	0	0	107.7	F7 C11	F7-M9 PolarHBondContact O-N 3.47Å; M9-C11 PolarHBondContact O-N 3.39Å
10	S	31.4	Very low	33.9	Very low	104 Å²	104	143 Å²	143	73%	0.727	80%	0.799	S	S	*	*			trans	-63.1	102.7	172.2	39.6	0	0	0	0	109.6	T8 L12	T8-S10 PolarHBondContact O-N 3.39Å; T8-S10 VanDerWaalsContact O-N 3.15Å; S10-L12 PolarHBondContact O-N 3.47Å
11	C	31.4	Very low	33.8	Very low	116 Å²	116	142 Å²	142	78%	0.784	80%	0.797	S	S	*	*			trans	-61.2	99.9	166.4	-76.5	0	0	0	0	109.3	M9 L13	M9-C11 PolarHBondContact O-N 3.39Å; C11-L13 VanDerWaalsContact C-N 3.33Å; C11-L13 PolarHBondContact O-N 2.79Å
12	L	32.2	Very low	33.5	Very low	157 Å²	157	136 Å²	136	82%	0.822	77%	0.774	S	S	*	*			trans	-66.2	96.6	159.7	-86.2	152.2	0	0	0	107.4	S10 V14	S10-L12 PolarHBondContact O-N 3.47Å; L12-V14 PolarHBondContact O-N 3.05Å
13	L	32.2	Very low	33.6	Very low	168 Å²	168	135.7 Å²	135.7	88%	0.88	76%	0.759	S	S	*	*			trans	-64.5	83.4	165.1	-78.1	160.4	0	0	0	108.3	C11 G15	C11-L13 VanDerWaalsContact C-N 3.33Å; C11-L13 PolarHBondContact O-N 2.79Å; L13-G15 VanDerWaalsContact C-N 3.31Å; L13-G15 PolarHBondContact O-N 3.3Å; L13-G15 VanDerWaalsContact O-N 3.07Å
14	V	33.1	Very low	33.4	Very low	106 Å²	106	136.4 Å²	136.4	64%	0.642	76%	0.764	S	S	*	*			trans	-71.9	97.5	161.2	-178	0	0	0	0	105.4	L12 W16	L12-V14 PolarHBondContact O-N 3.05Å; V14-W16 VanDerWaalsContact C-N 3.31Å; V14-W16 PolarHBondContact O-N 3.22Å
15	G	29.5	Very low	33.3	Very low	72 Å²	72	132.8 Å²	132.8	74%	0.742	75%	0.747	S	S	*	*			trans	-62.6	93.9	172.2	0	0	0	0	0	109.4	L13 S17	L13-G15 VanDerWaalsContact C-N 3.31Å; L13-G15 PolarHBondContact O-N 3.3Å; L13-G15 VanDerWaalsContact O-N 3.07Å; G15-S17 VanDerWaalsContact C-N 3.28Å; G15-S17 PolarHBondContact O-N 2.73Å; G15-S17 VanDerWaalsContact O-N 3.07Å
16	W	33.3	Very low	33.2	Very low	224 Å²	224	130.3 Å²	130.3	85%	0.848	75%	0.746	S	S	*	*			trans	-71.8	96.2	157.9	-72.7	75.9	0	0	0	105.7	V14 L18	V14-W16 VanDerWaalsContact C-N 3.31Å; V14-W16 PolarHBondContact O-N 3.22Å; W16-L18 VanDerWaalsContact C-N 3.32Å; W16-L18 PolarHBondContact O-N 2.85Å
17	S	32	Very low	33.4	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	73%	0.734	S	S	*	*			trans	-53.8	106.5	158.7	53.3	0	0	0	0	106.2	G15 G19	G15-S17 VanDerWaalsContact C-N 3.28Å; G15-S17 PolarHBondContact O-N 2.73Å; G15-S17 VanDerWaalsContact O-N 3.07Å; S17-G19 PolarHBondContact O-N 3.39Å
18	L	36.4	Very low	34.4	Very low	167 Å²	167	126.5 Å²	126.5	87%	0.874	72%	0.719	S	S	*	*			trans	-54.8	95.2	159.7	-83.5	151.4	0	0	0	105.2	W16 L20	W16-L18 VanDerWaalsContact C-N 3.32Å; W16-L18 PolarHBondContact O-N 2.85Å; L18-L20 VanDerWaalsContact C-N 3.26Å; L18-L20 PolarHBondContact O-N 3.44Å
19	G	32.5	Very low	35.7	Very low	59 Å²	59	125.9 Å²	125.9	61%	0.608	71%	0.707	S	S	*	*			trans	-58	103.2	165.3	0	0	0	0	0	104.9	S17 V21	S17-G19 PolarHBondContact O-N 3.39Å; G19-V21 PolarHBondContact O-N 3.46Å
20	L	31.6	Very low	37.5	Very low	157 Å²	157	118.4 Å²	118.4	82%	0.822	67%	0.669	S	S	*	*			trans	-54.2	97.7	156.8	-81.3	154.7	0	0	0	104.4	L18 T22	L18-L20 VanDerWaalsContact C-N 3.26Å; L18-L20 PolarHBondContact O-N 3.44Å; L20-T22 HydrophobicContact CB-CG2 4.46Å; L20-T22 PolarHBondContact O-N 3.34Å
21	V	32.1	Very low	38.8	Very low	124 Å²	124	120.8 Å²	120.8	75%	0.752	67%	0.667	S	S	*	*			trans	-63.5	89.2	161.5	178.8	0	0	0	0	103.5	G19 E23	G19-V21 PolarHBondContact O-N 3.46Å; V21-E23 HydrophobicContact CG1-CG 4.16Å; V21-E23 PolarHBondContact O-N 2.94Å
22	T	30	Very low	39.9	Very low	120 Å²	120	119.3 Å²	119.3	74%	0.736	66%	0.655	S	S	*	*			trans	-67.7	94.9	164	53.4	0	0	0	0	104.2	L20 S24	L20-T22 HydrophobicContact CB-CG2 4.46Å; L20-T22 PolarHBondContact O-N 3.34Å; T22-S24 VanDerWaalsContact C-N 3.35Å; T22-S24 PolarHBondContact O-N 3.29Å
23	E	38.4	Very low	41	Very low	115 Å²	115	114.9 Å²	114.9	54%	0.537	64%	0.637	S	S	.	*			trans	-54.9	102.4	173.9	-76.8	179.8	146.9	0	0	107.7	V21 H25	V21-E23 HydrophobicContact CG1-CG 4.16Å; V21-E23 PolarHBondContact O-N 2.94Å; E23-H25 PolarHBondContact O-N 2.68Å; E23-H25 IonicContact OE2-CE1 3.61Å; E23-H25 IonicContact OE2-NE2 3.82Å; E23-H25 PolarHBondContact OE2-NE2 3.09Å
24	S	31.8	Very low	42.3	Very low	108 Å²	108	111.2 Å²	111.2	76%	0.755	62%	0.616	S	S	*	*			trans	-72.7	77.1	165.9	63.3	0	0	0	0	106.5	T22 T26	T22-S24 VanDerWaalsContact C-N 3.35Å; T22-S24 PolarHBondContact O-N 3.29Å; S24-T26 PolarHBondContact O-N 3.41Å
25	H	39.3	Very low	44	Very low	108 Å²	108	109.7 Å²	109.7	50%	0.5	61%	0.61	S	S	.	*			trans	-60.7	99.8	159	-64.2	-43	0	0	0	105.5	E23 R27	E23-H25 PolarHBondContact O-N 2.68Å; E23-H25 IonicContact OE2-CE1 3.61Å; E23-H25 IonicContact OE2-NE2 3.82Å; E23-H25 PolarHBondContact OE2-NE2 3.09Å; H25-R27 PolarHBondContact O-N 3.45Å
26	T	34.9	Very low	46.6	Very low	124 Å²	124	107 Å²	107	76%	0.761	58%	0.578	S	S	*	*			trans	-56.4	96.4	159.8	46.5	0	0	0	0	105.1	S24 E28	S24-T26 PolarHBondContact O-N 3.41Å; T26-E28 PolarHBondContact O-N 3.09Å
27	R	42.4	Very low	49.4	Very low	119 Å²	119	96.5 Å²	96.5	45%	0.449	54%	0.539	S	S	.	.			trans	-66.5	88	174.9	-68.9	-170.9	-173.2	-171.6	7.2	105.9	H25 H29 Y314 N316	H25-R27 PolarHBondContact O-N 3.45Å; R27-H29 VanDerWaalsContact C-N 3.32Å; R27-H29 PolarHBondContact O-N 2.89Å; R27-Y314 PolarHBondContact NH1-O 3.31Å; R27-N316 PolarHBondContact NH2-OD1 2.04Å
28	E	52.1	Low	52.4	Low	106 Å²	106	91.3 Å²	91.3	50%	0.495	50%	0.503	S	S	.	.			trans	-63.2	103.8	163.4	-84	-160.3	178	0	0	106.6	T26 W30 Q307 V309	T26-E28 PolarHBondContact O-N 3.09Å; E28-W30 PolarHBondContact O-N 3.35Å; E28-Q307 PolarHBondContact OE2-NE2 3.13Å; E28-Q307 VanDerWaalsContact OE2-NE2 3.1Å; E28-V309 HydrophobicContact CB-CG1 4.15Å
29	H	60.8	Low	55.3	Low	108 Å²	108	83.6 Å²	83.6	50%	0.5	46%	0.462	S	S	.	.			trans	-64.6	128.4	172.3	-70.3	-69	0	0	0	108.5	R27 K31	R27-H29 VanDerWaalsContact C-N 3.32Å; R27-H29 PolarHBondContact O-N 2.89Å; H29-K31 PolarHBondContact O-N 3.37Å
30	W	70.9	Confident	58.4	Low	17 Å²	17	80.8 Å²	80.8	6%	0.064	43%	0.433	C	S	.	.			trans	-51.7	122.3	170.1	174.8	-107.8	0	0	0	110.2	E28 P32 V39 V66 V309 V336 Q338	E28-W30 PolarHBondContact O-N 3.35Å; W30-P32 HydrophobicContact CZ2-CB 4.15Å; W30-P32 HydrophobicContact CZ2-CG 4.3Å; W30-V39 HydrophobicContact CH2-CB 4.15Å; W30-V39 HydrophobicContact CH2-CG1 3.4Å; W30-V39 VanDerWaalsContact CH2-CG1 3.4Å; W30-V39 HydrophobicContact CH2-CG2 3.68Å; W30-V39 HydrophobicContact CZ2-CB 4.07Å; W30-V39 HydrophobicContact CZ2-CG1 3.29Å; W30-V39 HydrophobicContact CZ2-CG2 3.6Å; W30-V39 HydrophobicContact CZ3-CG1 4.39Å; W30-V66 PolarHBondContact NE1-O 3.07Å; W30-V309 HydrophobicContact CB-CG2 4.46Å; W30-V309 HydrophobicContact CE3-CG2 4.13Å; W30-V336 HydrophobicContact CD2-CG1 4.02Å; W30-V336 HydrophobicContact CE3-CB 4.41Å; W30-V336 HydrophobicContact CE3-CG1 3.73Å; W30-V336 HydrophobicContact CH2-CG1 4Å; W30-V336 HydrophobicContact CZ2-CG1 4.26Å; W30-V336 HydrophobicContact CZ3-CG1 3.71Å; W30-Q338 HydrophobicContact CH2-CB 3.86Å; W30-Q338 HydrophobicContact CH2-CG 4.34Å; W30-Q338 HydrophobicContact CZ3-CB 4.05Å
31	K	59	Low	61.6	Low	154 Å²	154	73.3 Å²	73.3	67%	0.67	39%	0.394	S	S	*	.			trans	-131.1	103.9	172.6	-73.3	-176.1	-179.2	179.3	0	107.2	H29 S33	H29-K31 PolarHBondContact O-N 3.37Å; K31-S33 PolarHBondContact O-N 3.39Å; K31-S33 VanDerWaalsContact O-N 3.14Å
32	P	54.4	Low	64.8	Low	84 Å²	84	67.4 Å²	67.4	55%	0.545	36%	0.358	S	S	.	.			trans	-57	123.4	175.9	-9.5	16.7	0	0	0	109.2	W30	W30-P32 HydrophobicContact CZ2-CB 4.15Å; W30-P32 HydrophobicContact CZ2-CG 4.3Å
33	S	54.6	Low	68.1	Low	64 Å²	64	61.7 Å²	61.7	45%	0.448	32%	0.323	S	S	.	.			trans	-138.8	141.2	177	74	0	0	0	0	111.6	K31 S37 Q338	K31-S33 PolarHBondContact O-N 3.39Å; K31-S33 VanDerWaalsContact O-N 3.14Å; S33-S37 PolarHBondContact O-OG 3.4Å; S33-Q338 VanDerWaalsContact O-CD 3.3Å; S33-Q338 PolarHBondContact O-NE2 3.37Å; S33-Q338 PolarHBondContact O-OE1 3.32Å
34	Q	58.8	Low	70.9	Confident	91 Å²	91	56.2 Å²	56.2	43%	0.425	30%	0.298	S	S	.	.			trans	87.9	125.7	-175.1	-51.7	-176.8	-8.1	0	0	115.6	Q36 S37 S340	Q34-Q36 PolarHBondContact O-N 2.94Å; Q34-S37 PolarHBondContact O-OG 3.02Å; Q34-S37 VanDerWaalsContact O-OG 3.12Å; Q34-S340 PolarHBondContact OE1-OG 3.11Å
35	S	70.2	Confident	74.1	Confident	74 Å²	74	51 Å²	51	52%	0.517	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-5.6	175.8	67.8	0	0	0	0	114.4	K348	S35-K348 PolarHBondContact OG-NZ 3.02Å
36	Q	82.6	Confident	76.9	Confident	15 Å²	15	46.7 Å²	46.7	7%	0.07	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.3	36.5	-171.1	-64.8	-76.9	-5.6	0	0	112.4	Q34 E141 S344	Q34-Q36 PolarHBondContact O-N 2.94Å; Q36-E141 VanDerWaalsContact NE2-CB 3.3Å; Q36-S344 VanDerWaalsContact CB-OG 3.3Å; Q36-S344 WeakPolarHBondContact CB-OG 3.41Å; Q36-S344 WeakPolarHBondContact CG-OG 3.31Å
37	S	92.3	Very high	79.9	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.028	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	160.9	173.4	58.5	0	0	0	0	111.6	S33 Q34 R139 F339	S33-S37 PolarHBondContact O-OG 3.4Å; Q34-S37 PolarHBondContact O-OG 3.02Å; Q34-S37 VanDerWaalsContact O-OG 3.12Å; S37-R139 VanDerWaalsContact O-CZ 3.3Å; S37-R139 PolarHBondContact O-NH1 2.78Å; S37-R139 PolarHBondContact O-NH2 2.8Å; S37-F339 CarbonylContact C-O 3.53Å; S37-F339 WeakPolarHBondContact CA-O 3.45Å; S37-F339 VanDerWaalsContact CB-O 3.27Å; S37-F339 WeakPolarHBondContact CB-O 3.46Å
38	I	95	Very high	82.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.5	166.8	-63.1	168.6	0	0	0	107.3	I40 D69 I137 L140 V146 W303 Q338 F339	I38-I40 HydrophobicContact CG2-CD1 4.46Å; I38-I40 HydrophobicContact CG2-CG1 4.07Å; I38-D69 HydrophobicContact CG2-CB 4.37Å; I38-I137 HydrophobicContact CD1-CG1 4.34Å; I38-L140 HydrophobicContact CD1-CD1 4.19Å; I38-L140 HydrophobicContact CG1-CD1 3.73Å; I38-V146 HydrophobicContact CD1-CG2 3.9Å; I38-W303 HydrophobicContact CB-CZ3 4.29Å; I38-W303 HydrophobicContact CD1-CD2 4.01Å; I38-W303 HydrophobicContact CD1-CE3 3.94Å; I38-W303 HydrophobicContact CD1-CH2 3.58Å; I38-W303 HydrophobicContact CD1-CZ2 3.63Å; I38-W303 HydrophobicContact CD1-CZ3 3.73Å; I38-W303 HydrophobicContact CG1-CE3 4.22Å; I38-W303 HydrophobicContact CG1-CH2 3.68Å; I38-W303 HydrophobicContact CG1-CZ2 4.25Å; I38-W303 HydrophobicContact CG1-CZ3 3.65Å; I38-Q338 WeakPolarHBondContact O-CA 3.22Å; I38-F339 PolarHBondContact N-O 3.13Å; I38-F339 PolarHBondContact O-N 2.98Å
39	V	96.9	Very high	84.7	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122	178.1	-177.2	0	0	0	0	109.3	W30 P68 D69 I70 V336 A337 Q338	W30-V39 HydrophobicContact CH2-CB 4.15Å; W30-V39 HydrophobicContact CH2-CG1 3.4Å; W30-V39 VanDerWaalsContact CH2-CG1 3.4Å; W30-V39 HydrophobicContact CH2-CG2 3.68Å; W30-V39 HydrophobicContact CZ2-CB 4.07Å; W30-V39 HydrophobicContact CZ2-CG1 3.29Å; W30-V39 HydrophobicContact CZ2-CG2 3.6Å; W30-V39 HydrophobicContact CZ3-CG1 4.39Å; V39-P68 HydrophobicContact CB-CB 4.47Å; V39-P68 HydrophobicContact CG1-CB 3.89Å; V39-D69 PolarHBondContact N-OD2 2.68Å; V39-D69 WeakPolarHBondContact O-CA 3.23Å; V39-D69 WeakPolarHBondContact O-CB 3.48Å; V39-D69 PolarHBondContact O-N 3.32Å; V39-I70 PolarHBondContact O-N 3.48Å; V39-V336 HydrophobicContact CG1-CG1 3.73Å; V39-A337 WeakPolarHBondContact CA-O 3.42Å; V39-Q338 HydrophobicContact CG2-CG 4.4Å
40	I	98.7	Very high	86.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.5	179.4	-64.1	175.9	0	0	0	108.7	I38 I70 F148 F214 A216 I296 V336 A337 F339	I38-I40 HydrophobicContact CG2-CD1 4.46Å; I38-I40 HydrophobicContact CG2-CG1 4.07Å; I40-I70 WeakPolarHBondContact CA-O 3.37Å; I40-F148 HydrophobicContact CD1-CD2 4.36Å; I40-F148 HydrophobicContact CD1-CE2 4.12Å; I40-F148 HydrophobicContact CG1-CE2 4.37Å; I40-F148 HydrophobicContact CG2-CE2 3.54Å; I40-F148 HydrophobicContact CG2-CZ 4Å; I40-F214 HydrophobicContact CD1-CB 3.78Å; I40-F214 HydrophobicContact CD1-CD1 3.32Å; I40-F214 HydrophobicContact CD1-CD2 3.65Å; I40-F214 HydrophobicContact CD1-CE1 3.72Å; I40-F214 HydrophobicContact CD1-CE2 4Å; I40-F214 HydrophobicContact CD1-CG 3.28Å; I40-F214 HydrophobicContact CD1-CZ 4.04Å; I40-A216 HydrophobicContact CG2-CB 4.34Å; I40-I296 HydrophobicContact CB-CD1 4.24Å; I40-I296 HydrophobicContact CG2-CD1 3.8Å; I40-I296 HydrophobicContact CG2-CG1 4.27Å; I40-I296 HydrophobicContact CG2-CG2 4.16Å; I40-V336 CarbonylContact O-C 3.38Å; I40-V336 VanDerWaalsContact O-CA 3.3Å; I40-V336 WeakPolarHBondContact O-CA 3.45Å; I40-A337 PolarHBondContact N-O 3.03Å; I40-A337 PolarHBondContact O-N 3.4Å; I40-F339 HydrophobicContact CD1-CD2 4.14Å; I40-F339 HydrophobicContact CD1-CE2 3.98Å
41	M	98.9	Very high	87.7	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.2	172.7	-179.8	176.3	-174.3	0	0	109.7	F43 I63 V66 P68 I70 V71 A72 Y311 A334 V335 V336	M41-F43 HydrophobicContact CE-CB 4Å; M41-F43 HydrophobicContact CE-CD1 3.49Å; M41-F43 VanDerWaalsContact CE-CD1 3.49Å; M41-F43 HydrophobicContact CE-CE1 4.02Å; M41-F43 HydrophobicContact CE-CG 3.81Å; M41-F43 HydrophobicContact CG-CB 4.42Å; M41-I63 HydrophobicContact SD-CG1 4.39Å; M41-V66 HydrophobicContact CE-CG2 4.42Å; M41-V66 HydrophobicContact SD-CB 4.25Å; M41-V66 HydrophobicContact SD-CG1 4.22Å; M41-V66 HydrophobicContact SD-CG2 4.31Å; M41-P68 HydrophobicContact CB-CB 3.83Å; M41-P68 HydrophobicContact CB-CG 3.9Å; M41-P68 HydrophobicContact SD-CG 4.09Å; M41-I70 PolarHBondContact N-O 3.02Å; M41-V71 HydrophobicContact CB-CG1 4.23Å; M41-V71 HydrophobicContact CB-CG2 4.36Å; M41-V71 HydrophobicContact CG-CG1 4.2Å; M41-V71 CarbonylContact O-C 3.56Å; M41-V71 VanDerWaalsContact O-CA 3.25Å; M41-V71 WeakPolarHBondContact O-CA 3.35Å; M41-V71 HydrophobicContact SD-CG1 4.41Å; M41-A72 PolarHBondContact O-N 3.29Å; M41-Y311 HydrophobicContact CE-CD1 4.19Å; M41-Y311 HydrophobicContact CE-CE1 4.34Å; M41-A334 HydrophobicContact CE-CB 3.49Å; M41-A334 VanDerWaalsContact CE-CB 3.49Å; M41-A334 HydrophobicContact CG-CB 4.44Å; M41-V335 CarbonylContact C-O 3.58Å; M41-V335 VanDerWaalsContact CA-O 3.32Å; M41-V335 WeakPolarHBondContact CA-O 3.35Å; M41-V336 HydrophobicContact CB-CG2 4.34Å; M41-V336 HydrophobicContact CG-CG2 4.07Å
42	T	98.9	Very high	89.6	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.3	160.6	-172	0	0	0	0	109.6	A72 Q74 G217 D294 I296 A334 V335	T42-A72 WeakPolarHBondContact CA-O 3.48Å; T42-Q74 PolarHBondContact OG1-NE2 3.17Å; T42-Q74 PolarHBondContact OG1-OE1 3.1Å; T42-G217 WeakPolarHBondContact OG1-CA 3.32Å; T42-G217 PolarHBondContact OG1-N 3.18Å; T42-D294 HydrophobicContact CG2-CB 4.19Å; T42-I296 HydrophobicContact CG2-CG1 4.11Å; T42-A334 VanDerWaalsContact O-CA 3.29Å; T42-A334 WeakPolarHBondContact O-CA 3.48Å; T42-A334 VanDerWaalsContact O-CB 3.3Å; T42-A334 WeakPolarHBondContact O-CB 3.41Å; T42-V335 HydrophobicContact CG2-CB 3.85Å; T42-V335 HydrophobicContact CG2-CG2 4.45Å; T42-V335 PolarHBondContact N-O 3Å; T42-V335 PolarHBondContact O-N 3.24Å; T42-V335 VanDerWaalsContact O-N 3.11Å
43	F	98.8	Very high	91.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	98.7	-171.3	-167.1	-171.1	0	0	0	111	M41 I45 I59 I63 V71 A72 L73 Q74 W328 P329 A334	M41-F43 HydrophobicContact CE-CB 4Å; M41-F43 HydrophobicContact CE-CD1 3.49Å; M41-F43 VanDerWaalsContact CE-CD1 3.49Å; M41-F43 HydrophobicContact CE-CE1 4.02Å; M41-F43 HydrophobicContact CE-CG 3.81Å; M41-F43 HydrophobicContact CG-CB 4.42Å; F43-I45 HydrophobicContact CB-CG2 4.43Å; F43-I45 HydrophobicContact CD1-CG2 3.72Å; F43-I45 HydrophobicContact CD2-CG2 4.07Å; F43-I45 HydrophobicContact CE1-CG2 3.97Å; F43-I45 HydrophobicContact CE2-CG2 4.28Å; F43-I45 HydrophobicContact CG-CG2 3.79Å; F43-I45 HydrophobicContact CZ-CG2 4.25Å; F43-I45 PolarHBondContact O-N 2.96Å; F43-I59 HydrophobicContact CD1-CG2 4.42Å; F43-I59 HydrophobicContact CE1-CB 4.46Å; F43-I59 HydrophobicContact CE1-CG1 4.44Å; F43-I59 HydrophobicContact CE1-CG2 3.99Å; F43-I59 HydrophobicContact CZ-CG1 4.5Å; F43-I63 HydrophobicContact CD1-CG1 4.28Å; F43-V71 HydrophobicContact CB-CG1 4.4Å; F43-A72 PolarHBondContact N-O 3.46Å; F43-L73 HydrophobicContact CB-CD2 4.15Å; F43-L73 HydrophobicContact CD1-CD2 4.45Å; F43-L73 WeakPolarHBondContact O-CA 3.37Å; F43-Q74 PolarHBondContact O-N 3.38Å; F43-Q74 PolarHBondContact O-OE1 3.41Å; F43-W328 HydrophobicContact CD2-CH2 4.27Å; F43-W328 HydrophobicContact CD2-CZ2 4.06Å; F43-W328 HydrophobicContact CE1-CH2 4.24Å; F43-W328 AromaticContact CE2-CH2 3.55Å; F43-W328 HydrophobicContact CE2-CH2 3.55Å; F43-W328 AromaticContact CE2-CZ2 3.3Å; F43-W328 HydrophobicContact CE2-CZ2 3.3Å; F43-W328 HydrophobicContact CE2-CZ3 4.47Å; F43-W328 AromaticContact CZ-CH2 3.52Å; F43-W328 HydrophobicContact CZ-CH2 3.52Å; F43-W328 AromaticContact CZ-CZ2 3.72Å; F43-W328 HydrophobicContact CZ-CZ2 3.72Å; F43-W328 HydrophobicContact CZ-CZ3 4.06Å; F43-P329 HydrophobicContact CZ-CG 3.94Å; F43-A334 HydrophobicContact CB-CB 4.3Å; F43-A334 HydrophobicContact CD2-CB 4.03Å; F43-A334 HydrophobicContact CG-CB 4.21Å
44	N	98.8	Very high	93.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	118.2	162.3	-177.1	-28	0	0	0	107.2	W46 Q74 E75 D218 S330 H332	N44-W46 PolarHBondContact OD1-N 3Å; N44-Q74 HydrophobicContact CB-CB 4.11Å; N44-E75 PolarHBondContact ND2-OE1 2.82Å; N44-E75 VanDerWaalsContact OD1-CD 3.25Å; N44-E75 WeakPolarHBondContact OD1-CG 3.41Å; N44-E75 PolarHBondContact OD1-OE1 2.93Å; N44-D218 HydrophobicContact CB-CB 4.45Å; N44-D218 PolarHBondContact ND2-OD2 2.9Å; N44-D218 VanDerWaalsContact ND2-OD2 3.07Å; N44-S330 VanDerWaalsContact O-CB 3.29Å; N44-S330 WeakPolarHBondContact O-CB 3.37Å; N44-S330 PolarHBondContact O-OG 2.92Å; N44-H332 HydrophobicContact CB-CB 4.14Å
45	I	98.6	Very high	95.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.15	C	C	.	.			trans	-97.2	14.9	-171.5	52.5	167.4	0	0	0	113.2	F43 G49 I59 L73 Q74 V76 F81	F43-I45 HydrophobicContact CB-CG2 4.43Å; F43-I45 HydrophobicContact CD1-CG2 3.72Å; F43-I45 HydrophobicContact CD2-CG2 4.07Å; F43-I45 HydrophobicContact CE1-CG2 3.97Å; F43-I45 HydrophobicContact CE2-CG2 4.28Å; F43-I45 HydrophobicContact CG-CG2 3.79Å; F43-I45 HydrophobicContact CZ-CG2 4.25Å; F43-I45 PolarHBondContact O-N 2.96Å; I45-G49 WeakPolarHBondContact O-CA 3.5Å; I45-G49 PolarHBondContact O-N 3.25Å; I45-I59 HydrophobicContact CB-CD1 3.66Å; I45-I59 HydrophobicContact CB-CG1 4.15Å; I45-I59 HydrophobicContact CD1-CD1 4.29Å; I45-I59 HydrophobicContact CG2-CD1 3.97Å; I45-I59 HydrophobicContact CG2-CG1 3.96Å; I45-I59 HydrophobicContact CG2-CG2 3.7Å; I45-L73 HydrophobicContact CD1-CD1 4.28Å; I45-L73 HydrophobicContact CG2-CD2 3.8Å; I45-Q74 WeakPolarHBondContact CG1-O 3.45Å; I45-Q74 PolarHBondContact N-O 2.96Å; I45-V76 HydrophobicContact CD1-CG2 4.14Å; I45-F81 HydrophobicContact CD1-CE1 3.6Å; I45-F81 HydrophobicContact CD1-CE2 4.11Å; I45-F81 HydrophobicContact CD1-CZ 3.34Å
46	W	97.9	Very high	96.9	Very high	16 Å²	16	23.8 Å²	23.8	6%	0.061	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	72.4	173.2	-163.7	28.5	0	0	0	113.3	N44 G49 A50 N51 V52 E75 V275 H323 D331	N44-W46 PolarHBondContact OD1-N 3Å; W46-G49 PolarHBondContact O-N 3.36Å; W46-A50 PolarHBondContact O-N 3.06Å; W46-N51 VanDerWaalsContact CD1-ND2 3.35Å; W46-N51 HydrophobicContact CD2-CB 3.39Å; W46-N51 VanDerWaalsContact CE2-CG 3.45Å; W46-N51 HydrophobicContact CE3-CB 3.38Å; W46-N51 HydrophobicContact CG-CB 4.14Å; W46-N51 HydrophobicContact CH2-CB 3.66Å; W46-N51 HydrophobicContact CZ2-CB 3.66Å; W46-N51 HydrophobicContact CZ3-CB 3.52Å; W46-N51 PolarHBondContact NE1-ND2 3.44Å; W46-N51 PolarHBondContact O-ND2 3.38Å; W46-V52 HydrophobicContact CE3-CG2 4.32Å; W46-V52 HydrophobicContact CZ3-CG2 4.15Å; W46-E75 VanDerWaalsContact CA-OE2 3.27Å; W46-E75 WeakPolarHBondContact CA-OE2 3.48Å; W46-V275 HydrophobicContact CH2-CG2 3.9Å; W46-V275 HydrophobicContact CZ3-CG2 4.19Å; W46-H323 AromaticContact CH2-CD2 3.34Å; W46-H323 WeakPolarHBondContact CH2-CD2 3.3Å; W46-H323 AromaticContact CH2-NE2 3.28Å; W46-H323 VanDerWaalsContact CH2-NE2 3.28Å; W46-H323 WeakPolarHBondContact CH2-NE2 3.11Å; W46-H323 AromaticContact CZ3-CD2 3.45Å; W46-H323 VanDerWaalsContact CZ3-CD2 3.45Å; W46-H323 WeakPolarHBondContact CZ3-CD2 3.5Å; W46-H323 AromaticContact CZ3-NE2 3.8Å; W46-D331 WeakPolarHBondContact CB-OD1 3.27Å; W46-D331 VanDerWaalsContact CD1-CG 3.49Å; W46-D331 VanDerWaalsContact CD1-OD1 3.22Å; W46-D331 HydrophobicContact CD2-CB 3.86Å; W46-D331 HydrophobicContact CE3-CB 4.01Å; W46-D331 HydrophobicContact CG-CB 4.35Å; W46-D331 HydrophobicContact CH2-CB 4.25Å; W46-D331 HydrophobicContact CZ2-CB 4.11Å; W46-D331 HydrophobicContact CZ3-CB 4.2Å; W46-D331 PolarHBondContact NE1-OD2 3.32Å; W46-D331 VanDerWaalsContact NE1-OD2 3.14Å
47	N	97.4	Very high	97.7	Very high	49 Å²	49	28.6 Å²	28.6	26%	0.262	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	53.2	-177.6	-65.2	-75.7	0	0	0	111.9	G49 A50 E75 M77	N47-G49 PolarHBondContact O-N 2.79Å; N47-G49 VanDerWaalsContact O-N 3.1Å; N47-A50 HydrophobicContact CB-CB 4.22Å; N47-A50 WeakPolarHBondContact O-CB 3.11Å; N47-A50 PolarHBondContact O-N 3.45Å; N47-E75 CarbonylContact C-O 3.47Å; N47-E75 WeakPolarHBondContact CA-O 3.46Å; N47-E75 VanDerWaalsContact CG-OE2 3.3Å; N47-E75 PolarHBondContact N-OE2 3.41Å; N47-E75 PolarHBondContact ND2-OE2 3.43Å; N47-M77 HydrophobicContact CB-CE 4.18Å; N47-M77 HydrophobicContact CB-CG 3.98Å; N47-M77 HydrophobicContact CB-SD 3.59Å; N47-M77 VanDerWaalsContact CB-SD 3.59Å; N47-M77 WeakPolarHBondContact O-CE 3.19Å
48	S	97.7	Very high	98	Very high	16 Å²	16	29.6 Å²	29.6	11%	0.112	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	28.5	-179.8	-57.6	0	0	0	0	114.3	E75 V76 M77	S48-E75 PolarHBondContact N-O 3.42Å; S48-E75 PolarHBondContact OG-O 2.75Å; S48-E75 VanDerWaalsContact OG-O 3.13Å; S48-V76 WeakPolarHBondContact OG-CA 3.45Å; S48-M77 PolarHBondContact OG-N 3.18Å
49	G	98	Very high	98.1	Very high	3 Å²	3	29.6 Å²	29.6	3%	0.031	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	14.4	-178.4	0	0	0	0	0	114.2	I45 W46 N47 N51 V52 G55	I45-G49 WeakPolarHBondContact O-CA 3.5Å; I45-G49 PolarHBondContact O-N 3.25Å; W46-G49 PolarHBondContact O-N 3.36Å; N47-G49 PolarHBondContact O-N 2.79Å; N47-G49 VanDerWaalsContact O-N 3.1Å; G49-N51 PolarHBondContact O-N 3.33Å; G49-N51 VanDerWaalsContact O-N 3.15Å; G49-V52 PolarHBondContact O-N 2.94Å; G49-V52 VanDerWaalsContact O-O 3.11Å; G49-G55 WeakPolarHBondContact O-CA 3.3Å
50	A	97.7	Very high	98.2	Very high	68 Å²	68	29.5 Å²	29.5	56%	0.562	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.8	-175.5	0	0	0	0	0	113.9	W46 N47 M77	W46-A50 PolarHBondContact O-N 3.06Å; N47-A50 HydrophobicContact CB-CB 4.22Å; N47-A50 WeakPolarHBondContact O-CB 3.11Å; N47-A50 PolarHBondContact O-N 3.45Å; A50-M77 HydrophobicContact CB-CE 3.97Å
51	N	97.6	Very high	98.2	Very high	49 Å²	49	32.3 Å²	32.3	26%	0.262	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	1.8	-175.4	-65.4	-71.1	0	0	0	114.2	W46 G49 H323 Y324	W46-N51 VanDerWaalsContact CD1-ND2 3.35Å; W46-N51 HydrophobicContact CD2-CB 3.39Å; W46-N51 VanDerWaalsContact CE2-CG 3.45Å; W46-N51 HydrophobicContact CE3-CB 3.38Å; W46-N51 HydrophobicContact CG-CB 4.14Å; W46-N51 HydrophobicContact CH2-CB 3.66Å; W46-N51 HydrophobicContact CZ2-CB 3.66Å; W46-N51 HydrophobicContact CZ3-CB 3.52Å; W46-N51 PolarHBondContact NE1-ND2 3.44Å; W46-N51 PolarHBondContact O-ND2 3.38Å; G49-N51 PolarHBondContact O-N 3.33Å; G49-N51 VanDerWaalsContact O-N 3.15Å; N51-H323 PolarHBondContact O-CD2 3.01Å; N51-H323 PolarHBondContact O-NE2 2.98Å; N51-Y324 WeakPolarHBondContact O-CD1 3.42Å
52	V	98.1	Very high	98.2	Very high	8 Å²	8	32.5 Å²	32.5	5%	0.048	17%	0.172	C	C	.	.	S	Bend	trans	-134.7	139.1	177.7	177.4	0	0	0	0	109.1	W46 G49 D54 G55 K58 Y324 N326	W46-V52 HydrophobicContact CE3-CG2 4.32Å; W46-V52 HydrophobicContact CZ3-CG2 4.15Å; G49-V52 PolarHBondContact O-N 2.94Å; G49-V52 VanDerWaalsContact O-O 3.11Å; V52-D54 PolarHBondContact O-N 3.29Å; V52-G55 WeakPolarHBondContact O-CA 3.27Å; V52-G55 PolarHBondContact O-N 3.3Å; V52-K58 HydrophobicContact CG1-CD 3.97Å; V52-Y324 WeakPolarHBondContact CG1-O 3.3Å; V52-N326 VanDerWaalsContact CG1-O 3.24Å; V52-N326 WeakPolarHBondContact CG1-O 3.33Å
53	E	98.2	Very high	98.2	Very high	104 Å²	104	32.5 Å²	32.5	49%	0.486	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	132.6	175.1	-70.3	176.7	-175.8	0	0	110	G55 K58 Y324	E53-G55 PolarHBondContact O-N 3.5Å; E53-G55 VanDerWaalsContact O-N 3.14Å; E53-K58 WeakPolarHBondContact O-CD 3.46Å; E53-K58 WeakPolarHBondContact O-CE 3.4Å; E53-K58 PolarHBondContact O-NZ 2.65Å; E53-Y324 PolarHBondContact N-O 2.87Å
54	D	97.7	Very high	98.1	Very high	122 Å²	122	35.7 Å²	35.7	65%	0.652	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	28.7	-176.6	-54.4	-42.7	0	0	0	114.4	V52 L56 F57 K58	V52-D54 PolarHBondContact O-N 3.29Å; D54-L56 VanDerWaalsContact C-N 3.35Å; D54-L56 PolarHBondContact O-N 3.05Å; D54-F57 HydrophobicContact CB-CB 4.47Å; D54-F57 WeakPolarHBondContact O-CB 3.04Å; D54-F57 PolarHBondContact O-N 3.46Å; D54-K58 PolarHBondContact O-N 3.14Å
55	G	98.1	Very high	98	Very high	3 Å²	3	41.8 Å²	41.8	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-54.8	-43.4	-171.3	0	0	0	0	0	114.1	G49 V52 E53 F57 K58 I59	G49-G55 WeakPolarHBondContact O-CA 3.3Å; V52-G55 WeakPolarHBondContact O-CA 3.27Å; V52-G55 PolarHBondContact O-N 3.3Å; E53-G55 PolarHBondContact O-N 3.5Å; E53-G55 VanDerWaalsContact O-N 3.14Å; G55-F57 VanDerWaalsContact C-N 3.34Å; G55-F57 PolarHBondContact O-N 3.02Å; G55-K58 CarbonylContact O-C 3.53Å; G55-K58 WeakPolarHBondContact O-CB 3.23Å; G55-K58 PolarHBondContact O-N 3.12Å; G55-K58 VanDerWaalsContact O-N 3.11Å; G55-I59 VanDerWaalsContact O-CG1 3.26Å; G55-I59 WeakPolarHBondContact O-CG1 3.09Å; G55-I59 PolarHBondContact O-N 3.41Å
56	L	97.9	Very high	97.9	Very high	38 Å²	38	41.8 Å²	41.8	20%	0.199	21%	0.213	C	C	.	.	H	α-helix	trans	-56.1	-46.9	175.6	-172.8	155.3	0	0	0	112.2	D54 K58 I59 A60 F81 I84	D54-L56 VanDerWaalsContact C-N 3.35Å; D54-L56 PolarHBondContact O-N 3.05Å; L56-K58 VanDerWaalsContact C-N 3.33Å; L56-K58 PolarHBondContact O-N 3.35Å; L56-I59 WeakPolarHBondContact O-CB 3.5Å; L56-I59 PolarHBondContact O-N 3.44Å; L56-A60 PolarHBondContact O-N 3.01Å; L56-A60 VanDerWaalsContact O-N 3.1Å; L56-F81 HydrophobicContact CD1-CD2 3.8Å; L56-F81 HydrophobicContact CD1-CE2 3.76Å; L56-F81 HydrophobicContact CG-CD2 4.47Å; L56-F81 HydrophobicContact CG-CE2 3.93Å; L56-I84 HydrophobicContact CD1-CB 4.08Å; L56-I84 HydrophobicContact CD1-CG2 3.66Å; L56-I84 HydrophobicContact CD2-CG2 3.75Å; L56-I84 HydrophobicContact CG-CG2 4.41Å
57	F	97.9	Very high	97.8	Very high	116 Å²	116	46.4 Å²	46.4	51%	0.509	23%	0.231	S	C	.	.	H	α-helix	trans	-64.3	-40.6	177.8	172.4	-97.8	0	0	0	111.1	D54 G55 A60 K61	D54-F57 HydrophobicContact CB-CB 4.47Å; D54-F57 WeakPolarHBondContact O-CB 3.04Å; D54-F57 PolarHBondContact O-N 3.46Å; G55-F57 VanDerWaalsContact C-N 3.34Å; G55-F57 PolarHBondContact O-N 3.02Å; F57-A60 PolarHBondContact O-N 3.02Å; F57-K61 WeakPolarHBondContact O-CB 3.45Å; F57-K61 PolarHBondContact O-N 3.17Å
58	K	98.5	Very high	97.8	Very high	25 Å²	25	44 Å²	44	11%	0.109	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-37.5	176.5	-70.7	170	179.8	172.6	0	112	V52 E53 D54 G55 L56 K61 H62 N326 P329	V52-K58 HydrophobicContact CG1-CD 3.97Å; E53-K58 WeakPolarHBondContact O-CD 3.46Å; E53-K58 WeakPolarHBondContact O-CE 3.4Å; E53-K58 PolarHBondContact O-NZ 2.65Å; D54-K58 PolarHBondContact O-N 3.14Å; G55-K58 CarbonylContact O-C 3.53Å; G55-K58 WeakPolarHBondContact O-CB 3.23Å; G55-K58 PolarHBondContact O-N 3.12Å; G55-K58 VanDerWaalsContact O-N 3.11Å; L56-K58 VanDerWaalsContact C-N 3.33Å; L56-K58 PolarHBondContact O-N 3.35Å; K58-K61 WeakPolarHBondContact O-CB 3.42Å; K58-K61 PolarHBondContact O-N 2.81Å; K58-H62 PolarHBondContact O-CD2 3.31Å; K58-H62 PolarHBondContact O-N 2.72Å; K58-N326 WeakPolarHBondContact CE-O 3.36Å; K58-N326 PolarHBondContact NZ-O 3.37Å; K58-P329 HydrophobicContact CB-CB 3.84Å; K58-P329 HydrophobicContact CB-CG 4.04Å
59	I	98.7	Very high	97.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.1	-53.5	173.1	-68.2	157.7	0	0	0	109.5	F43 I45 G55 L56 K61 H62 I63 I85 P329	F43-I59 HydrophobicContact CD1-CG2 4.42Å; F43-I59 HydrophobicContact CE1-CB 4.46Å; F43-I59 HydrophobicContact CE1-CG1 4.44Å; F43-I59 HydrophobicContact CE1-CG2 3.99Å; F43-I59 HydrophobicContact CZ-CG1 4.5Å; I45-I59 HydrophobicContact CB-CD1 3.66Å; I45-I59 HydrophobicContact CB-CG1 4.15Å; I45-I59 HydrophobicContact CD1-CD1 4.29Å; I45-I59 HydrophobicContact CG2-CD1 3.97Å; I45-I59 HydrophobicContact CG2-CG1 3.96Å; I45-I59 HydrophobicContact CG2-CG2 3.7Å; G55-I59 VanDerWaalsContact O-CG1 3.26Å; G55-I59 WeakPolarHBondContact O-CG1 3.09Å; G55-I59 PolarHBondContact O-N 3.41Å; L56-I59 WeakPolarHBondContact O-CB 3.5Å; L56-I59 PolarHBondContact O-N 3.44Å; I59-K61 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.45Å; I59-H62 PolarHBondContact O-N 2.69Å; I59-H62 VanDerWaalsContact O-N 3.17Å; I59-I63 HydrophobicContact CG2-CD1 3.87Å; I59-I63 WeakPolarHBondContact O-CG1 3.47Å; I59-I63 PolarHBondContact O-N 2.76Å; I59-I85 HydrophobicContact CB-CD1 4.42Å; I59-I85 HydrophobicContact CG2-CD1 3.58Å; I59-P329 HydrophobicContact CB-CG 4.46Å; I59-P329 HydrophobicContact CG1-CB 4.01Å; I59-P329 HydrophobicContact CG1-CG 3.6Å
60	A	98.6	Very high	97.7	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-57.9	-45	178.3	0	0	0	0	0	111.9	L56 F57 H62 I63 L64 I85 H88 L89	L56-A60 PolarHBondContact O-N 3.01Å; L56-A60 VanDerWaalsContact O-N 3.1Å; F57-A60 PolarHBondContact O-N 3.02Å; A60-H62 PolarHBondContact O-N 3.16Å; A60-I63 PolarHBondContact O-N 2.8Å; A60-L64 WeakPolarHBondContact O-CB 3.31Å; A60-L64 WeakPolarHBondContact O-CG 3.37Å; A60-L64 PolarHBondContact O-N 3.49Å; A60-I85 HydrophobicContact CB-CG1 4.27Å; A60-H88 HydrophobicContact CB-CB 3.63Å; A60-L89 HydrophobicContact CB-CD2 4.13Å
61	K	98.2	Very high	97.8	Very high	59 Å²	59	39.9 Å²	39.9	26%	0.257	19%	0.185	S	C	.	.	H	α-helix	trans	-55.5	-46.5	175.6	177.7	-157.4	71.6	-176.3	0	111.8	F57 K58 I59 L64 Y65 D327	F57-K61 WeakPolarHBondContact O-CB 3.45Å; F57-K61 PolarHBondContact O-N 3.17Å; K58-K61 WeakPolarHBondContact O-CB 3.42Å; K58-K61 PolarHBondContact O-N 2.81Å; I59-K61 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.45Å; K61-L64 PolarHBondContact O-N 2.82Å; K61-Y65 WeakPolarHBondContact O-CB 3.37Å; K61-Y65 PolarHBondContact O-N 2.88Å; K61-D327 PolarHBondContact NZ-O 3.19Å; K61-D327 IonicContact NZ-OD1 2.67Å; K61-D327 PolarHBondContact NZ-OD1 2.89Å; K61-D327 IonicContact NZ-OD2 3.33Å; K61-D327 PolarHBondContact NZ-OD2 3.15Å
62	H	98.6	Very high	97.9	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.019	17%	0.173	C	C	.	.	H	α-helix	trans	-72.8	-35.7	-178.8	-78.7	-67.5	0	0	0	113.2	K58 I59 A60 Y65 V66 Y311 D327 W328	K58-H62 PolarHBondContact O-CD2 3.31Å; K58-H62 PolarHBondContact O-N 2.72Å; I59-H62 PolarHBondContact O-N 2.69Å; I59-H62 VanDerWaalsContact O-N 3.17Å; A60-H62 PolarHBondContact O-N 3.16Å; H62-Y65 PolarHBondContact O-N 3.27Å; H62-V66 WeakPolarHBondContact O-CG2 3.15Å; H62-V66 PolarHBondContact O-N 2.75Å; H62-Y311 HydrophobicContact CB-CE1 4.15Å; H62-Y311 AromaticContact ND1-CZ 3.78Å; H62-Y311 PolarHBondContact ND1-OH 2.61Å; H62-D327 IonicContact CE1-OD2 3.66Å; H62-D327 PolarHBondContact CE1-OD2 3.24Å; H62-D327 PolarHBondContact NE2-O 2.82Å; H62-D327 VanDerWaalsContact NE2-O 3.07Å; H62-D327 IonicContact NE2-OD2 3.79Å; H62-D327 PolarHBondContact NE2-OD2 3.08Å; H62-W328 HydrophobicContact CB-CZ3 3.82Å; H62-W328 AromaticContact CD2-CE3 3.67Å; H62-W328 AromaticContact CD2-CZ3 3.88Å; H62-W328 AromaticContact CE1-CE3 3.75Å; H62-W328 AromaticContact CG-CE3 3.76Å; H62-W328 AromaticContact CG-CZ3 3.52Å; H62-W328 AromaticContact ND1-CE3 3.79Å; H62-W328 AromaticContact ND1-CZ3 3.69Å; H62-W328 AromaticContact NE2-CE3 3.72Å
63	I	98.5	Very high	97.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-45.1	171.4	-68.2	171.5	0	0	0	110.2	M41 F43 I59 A60 Y65 V66 Y67 P68 V71 L73 I85 L89 W93 L108	M41-I63 HydrophobicContact SD-CG1 4.39Å; F43-I63 HydrophobicContact CD1-CG1 4.28Å; I59-I63 HydrophobicContact CG2-CD1 3.87Å; I59-I63 WeakPolarHBondContact O-CG1 3.47Å; I59-I63 PolarHBondContact O-N 2.76Å; A60-I63 PolarHBondContact O-N 2.8Å; I63-Y65 VanDerWaalsContact C-N 3.33Å; I63-Y65 PolarHBondContact O-N 3.33Å; I63-V66 PolarHBondContact O-N 3Å; I63-Y67 WeakPolarHBondContact O-CA 3.42Å; I63-Y67 PolarHBondContact O-N 3.45Å; I63-P68 HydrophobicContact CG2-CG 4.38Å; I63-P68 WeakPolarHBondContact O-CD 3.44Å; I63-V71 HydrophobicContact CD1-CG1 4.48Å; I63-V71 HydrophobicContact CG2-CG2 4.09Å; I63-L73 HydrophobicContact CD1-CD2 4.31Å; I63-I85 HydrophobicContact CD1-CD1 4.16Å; I63-L89 HydrophobicContact CB-CD2 3.92Å; I63-L89 HydrophobicContact CG2-CD2 3.68Å; I63-W93 HydrophobicContact CG2-CH2 3.37Å; I63-W93 HydrophobicContact CG2-CZ2 3.75Å; I63-W93 HydrophobicContact CG2-CZ3 4Å; I63-L108 HydrophobicContact CD1-CD1 3.79Å
64	L	97.6	Very high	97.9	Very high	68 Å²	68	32.2 Å²	32.2	36%	0.356	15%	0.147	S	C	.	.	H	α-helix	trans	-64.9	-35.6	176.8	-72	172.5	0	0	0	112.8	A60 K61 Y67 L89	A60-L64 WeakPolarHBondContact O-CB 3.31Å; A60-L64 WeakPolarHBondContact O-CG 3.37Å; A60-L64 PolarHBondContact O-N 3.49Å; K61-L64 PolarHBondContact O-N 2.82Å; L64-Y67 PolarHBondContact O-N 2.91Å; L64-L89 HydrophobicContact CD2-CD2 4.17Å; L64-L89 HydrophobicContact CG-CD2 3.9Å
65	Y	96.8	Very high	97.8	Very high	128 Å²	128	27.7 Å²	27.7	50%	0.502	12%	0.122	S	C	.	.	H	α-helix	trans	-67.6	-44	176.7	-174.9	-88.3	0	0	0	112.5	K61 H62 I63 Y67 Y311	K61-Y65 WeakPolarHBondContact O-CB 3.37Å; K61-Y65 PolarHBondContact O-N 2.88Å; H62-Y65 PolarHBondContact O-N 3.27Å; I63-Y65 VanDerWaalsContact C-N 3.33Å; I63-Y65 PolarHBondContact O-N 3.33Å; Y65-Y67 VanDerWaalsContact C-N 3.32Å; Y65-Y311 HydrophobicContact CD1-CE2 4.1Å; Y65-Y311 VanDerWaalsContact CD1-OH 3.23Å; Y65-Y311 WeakPolarHBondContact CD1-OH 3.34Å; Y65-Y311 HydrophobicContact CE1-CE2 4.31Å
66	V	97.1	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-69.4	-35.6	174.6	174.1	0	0	0	0	110.6	W30 M41 H62 I63 P68 Y311 V336	W30-V66 PolarHBondContact NE1-O 3.07Å; M41-V66 HydrophobicContact CE-CG2 4.42Å; M41-V66 HydrophobicContact SD-CB 4.25Å; M41-V66 HydrophobicContact SD-CG1 4.22Å; M41-V66 HydrophobicContact SD-CG2 4.31Å; H62-V66 WeakPolarHBondContact O-CG2 3.15Å; H62-V66 PolarHBondContact O-N 2.75Å; I63-V66 PolarHBondContact O-N 3Å; V66-P68 HydrophobicContact CG1-CB 4.2Å; V66-P68 HydrophobicContact CG1-CG 4.26Å; V66-Y311 HydrophobicContact CG2-CD1 3.68Å; V66-Y311 HydrophobicContact CG2-CD2 4.2Å; V66-Y311 HydrophobicContact CG2-CE1 3.28Å; V66-Y311 HydrophobicContact CG2-CE2 3.88Å; V66-Y311 HydrophobicContact CG2-CG 4.11Å; V66-Y311 VanDerWaalsContact CG2-CZ 3.4Å; V66-V336 HydrophobicContact CG1-CB 4.36Å; V66-V336 HydrophobicContact CG1-CG1 3.7Å; V66-V336 HydrophobicContact CG1-CG2 3.69Å; V66-V336 HydrophobicContact CG2-CG2 4.26Å
67	Y	95.1	Very high	97.5	Very high	112 Å²	112	29.5 Å²	29.5	44%	0.439	13%	0.13	S	C	.	.			trans	54.9	50.5	-177.3	-156.7	-113.6	0	0	0	113.7	I63 L64 Y65 R110	I63-Y67 WeakPolarHBondContact O-CA 3.42Å; I63-Y67 PolarHBondContact O-N 3.45Å; L64-Y67 PolarHBondContact O-N 2.91Å; Y65-Y67 VanDerWaalsContact C-N 3.32Å; Y67-R110 VanDerWaalsContact CD2-NH1 3.26Å; Y67-R110 PolarHBondContact O-NH1 2.98Å; Y67-R110 VanDerWaalsContact O-NH1 3.16Å; Y67-R110 PolarHBondContact O-NH2 2.84Å
68	P	96.9	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.			trans	-76	157.5	-178.9	34.9	-36.2	0	0	0	112.2	V39 M41 I63 V66 V71 W93 R110	V39-P68 HydrophobicContact CB-CB 4.47Å; V39-P68 HydrophobicContact CG1-CB 3.89Å; M41-P68 HydrophobicContact CB-CB 3.83Å; M41-P68 HydrophobicContact CB-CG 3.9Å; M41-P68 HydrophobicContact SD-CG 4.09Å; I63-P68 HydrophobicContact CG2-CG 4.38Å; I63-P68 WeakPolarHBondContact O-CD 3.44Å; V66-P68 HydrophobicContact CG1-CB 4.2Å; V66-P68 HydrophobicContact CG1-CG 4.26Å; P68-V71 HydrophobicContact CB-CG2 4.37Å; P68-V71 HydrophobicContact CG-CG2 3.44Å; P68-V71 VanDerWaalsContact CG-CG2 3.44Å; P68-W93 HydrophobicContact CG-CH2 4.19Å; P68-W93 WeakPolarHBondContact O-CH2 3.47Å; P68-R110 PolarHBondContact O-NH1 2.84Å; P68-R110 PolarHBondContact O-NH2 2.84Å
69	D	96.3	Very high	96.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-77.1	-37.1	175.3	-66.9	-65.1	0	0	0	112.6	I38 V39 T109 R110 H111 R139	I38-D69 HydrophobicContact CG2-CB 4.37Å; V39-D69 PolarHBondContact N-OD2 2.68Å; V39-D69 WeakPolarHBondContact O-CA 3.23Å; V39-D69 WeakPolarHBondContact O-CB 3.48Å; V39-D69 PolarHBondContact O-N 3.32Å; D69-T109 VanDerWaalsContact O-CA 3.31Å; D69-T109 WeakPolarHBondContact O-CA 3.5Å; D69-T109 WeakPolarHBondContact O-CB 3.48Å; D69-T109 PolarHBondContact O-OG1 3.34Å; D69-R110 PolarHBondContact O-N 2.9Å; D69-R110 IonicContact OD1-NH2 3.67Å; D69-H111 WeakPolarHBondContact CB-NE2 3.44Å; D69-H111 IonicContact OD1-CD2 2.91Å; D69-H111 IonicContact OD1-CE1 2.71Å; D69-H111 IonicContact OD1-NE2 2.59Å; D69-H111 PolarHBondContact OD1-NE2 3.39Å; D69-R139 IonicContact OD1-CZ 3.46Å; D69-R139 IonicContact OD1-NE 2.73Å; D69-R139 PolarHBondContact OD1-NE 3.23Å; D69-R139 IonicContact OD1-NH2 3.31Å; D69-R139 PolarHBondContact OD1-NH2 2.77Å; D69-R139 IonicContact OD2-CZ 3.59Å; D69-R139 IonicContact OD2-NE 3.67Å; D69-R139 IonicContact OD2-NH2 2.69Å; D69-R139 PolarHBondContact OD2-NH2 2.81Å
70	I	98.5	Very high	96.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	138	179	-52.5	165.4	0	0	0	108.7	V39 I40 M41 I107 L108 I135 I137 V146 F148	V39-I70 PolarHBondContact O-N 3.48Å; I40-I70 WeakPolarHBondContact CA-O 3.37Å; M41-I70 PolarHBondContact N-O 3.02Å; I70-I107 HydrophobicContact CG2-CG2 3.87Å; I70-L108 CarbonylContact C-O 3.6Å; I70-L108 WeakPolarHBondContact CA-O 3.09Å; I70-I135 HydrophobicContact CD1-CD1 3.81Å; I70-I135 HydrophobicContact CG1-CD1 3.87Å; I70-I135 HydrophobicContact CG2-CD1 3.83Å; I70-I137 HydrophobicContact CD1-CD1 4.06Å; I70-I137 HydrophobicContact CG1-CD1 4.27Å; I70-V146 HydrophobicContact CD1-CG1 4.12Å; I70-F148 HydrophobicContact CB-CD2 4.48Å; I70-F148 HydrophobicContact CB-CE2 4.44Å; I70-F148 HydrophobicContact CD1-CB 4.47Å; I70-F148 HydrophobicContact CD1-CD2 4.14Å; I70-F148 HydrophobicContact CD1-CG 4.38Å; I70-F148 HydrophobicContact CG2-CD1 3.58Å; I70-F148 HydrophobicContact CG2-CD2 3.87Å; I70-F148 HydrophobicContact CG2-CE1 3.55Å; I70-F148 HydrophobicContact CG2-CE2 3.89Å; I70-F148 HydrophobicContact CG2-CG 3.74Å; I70-F148 HydrophobicContact CG2-CZ 3.72Å
71	V	98.8	Very high	96.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127	173.8	-166.4	0	0	0	0	109.8	M41 F43 I63 P68 L73 W93 I107 L108	M41-V71 HydrophobicContact CB-CG1 4.23Å; M41-V71 HydrophobicContact CB-CG2 4.36Å; M41-V71 HydrophobicContact CG-CG1 4.2Å; M41-V71 CarbonylContact O-C 3.56Å; M41-V71 VanDerWaalsContact O-CA 3.25Å; M41-V71 WeakPolarHBondContact O-CA 3.35Å; M41-V71 HydrophobicContact SD-CG1 4.41Å; F43-V71 HydrophobicContact CB-CG1 4.4Å; I63-V71 HydrophobicContact CD1-CG1 4.48Å; I63-V71 HydrophobicContact CG2-CG2 4.09Å; P68-V71 HydrophobicContact CB-CG2 4.37Å; P68-V71 HydrophobicContact CG-CG2 3.44Å; P68-V71 VanDerWaalsContact CG-CG2 3.44Å; V71-L73 HydrophobicContact CG1-CD2 3.58Å; V71-L73 HydrophobicContact CG1-CG 4.17Å; V71-W93 HydrophobicContact CG2-CH2 4.24Å; V71-W93 HydrophobicContact CG2-CZ3 4.01Å; V71-I107 WeakPolarHBondContact O-CA 3.26Å; V71-L108 HydrophobicContact CB-CB 4.05Å; V71-L108 HydrophobicContact CB-CD1 4.4Å; V71-L108 HydrophobicContact CG2-CB 4.32Å; V71-L108 PolarHBondContact N-O 2.78Å; V71-L108 PolarHBondContact O-N 3.25Å
72	A	98.8	Very high	95.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.1	162.7	0	0	0	0	0	108.8	M41 T42 F43 Q74 F148 N150 A216	M41-A72 PolarHBondContact O-N 3.29Å; T42-A72 WeakPolarHBondContact CA-O 3.48Å; F43-A72 PolarHBondContact N-O 3.46Å; A72-Q74 VanDerWaalsContact C-NE2 3.29Å; A72-Q74 PolarHBondContact O-NE2 2.8Å; A72-F148 HydrophobicContact CB-CE1 3.81Å; A72-F148 HydrophobicContact CB-CZ 3.76Å; A72-N150 HydrophobicContact CB-CB 4.01Å; A72-A216 HydrophobicContact CB-CB 4.04Å
73	L	98.4	Very high	95.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.8	175.2	-63.4	-174.4	0	0	0	111.1	F43 I45 I63 V71 V76 F81 V105 A106 L108 N150	F43-L73 HydrophobicContact CB-CD2 4.15Å; F43-L73 HydrophobicContact CD1-CD2 4.45Å; F43-L73 WeakPolarHBondContact O-CA 3.37Å; I45-L73 HydrophobicContact CD1-CD1 4.28Å; I45-L73 HydrophobicContact CG2-CD2 3.8Å; I63-L73 HydrophobicContact CD1-CD2 4.31Å; V71-L73 HydrophobicContact CG1-CD2 3.58Å; V71-L73 HydrophobicContact CG1-CG 4.17Å; L73-V76 HydrophobicContact CB-CG2 4.02Å; L73-F81 HydrophobicContact CD1-CE1 4Å; L73-V105 WeakPolarHBondContact O-CA 3.37Å; L73-A106 HydrophobicContact CB-CB 4.35Å; L73-A106 PolarHBondContact N-O 3.38Å; L73-A106 PolarHBondContact O-N 3.22Å; L73-L108 HydrophobicContact CD1-CD1 3.44Å; L73-L108 VanDerWaalsContact CD1-CD1 3.44Å; L73-L108 HydrophobicContact CD1-CG 3.84Å; L73-L108 HydrophobicContact CD2-CD1 4.39Å; L73-L108 HydrophobicContact CG-CD1 4Å; L73-L108 HydrophobicContact CG-CG 4.3Å; L73-N150 PolarHBondContact N-ND2 2.87Å; L73-N150 PolarHBondContact O-ND2 3.11Å
74	Q	97.6	Very high	95.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	155	173.2	-55.5	77	45.3	0	0	110.1	T42 F43 N44 I45 A72 D104 N150 V151 H152 D218	T42-Q74 PolarHBondContact OG1-NE2 3.17Å; T42-Q74 PolarHBondContact OG1-OE1 3.1Å; F43-Q74 PolarHBondContact O-N 3.38Å; F43-Q74 PolarHBondContact O-OE1 3.41Å; N44-Q74 HydrophobicContact CB-CB 4.11Å; I45-Q74 WeakPolarHBondContact CG1-O 3.45Å; I45-Q74 PolarHBondContact N-O 2.96Å; A72-Q74 VanDerWaalsContact C-NE2 3.29Å; A72-Q74 PolarHBondContact O-NE2 2.8Å; Q74-D104 CarbonylContact C-O 3.58Å; Q74-D104 WeakPolarHBondContact CA-O 3.46Å; Q74-N150 PolarHBondContact NE2-OD1 3.31Å; Q74-V151 WeakPolarHBondContact CG-O 3.49Å; Q74-H152 HydrophobicContact CB-CB 3.98Å; Q74-H152 HydrophobicContact CG-CB 3.75Å; Q74-D218 HydrophobicContact CG-CB 4.12Å
75	E	96.9	Very high	95.7	Very high	27 Å²	27	33 Å²	33	13%	0.126	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.6	42.7	-172.4	-57.2	-172.8	-158.5	0	0	114.8	N44 W46 N47 S48 M77 D104	N44-E75 PolarHBondContact ND2-OE1 2.82Å; N44-E75 VanDerWaalsContact OD1-CD 3.25Å; N44-E75 WeakPolarHBondContact OD1-CG 3.41Å; N44-E75 PolarHBondContact OD1-OE1 2.93Å; W46-E75 VanDerWaalsContact CA-OE2 3.27Å; W46-E75 WeakPolarHBondContact CA-OE2 3.48Å; N47-E75 CarbonylContact C-O 3.47Å; N47-E75 WeakPolarHBondContact CA-O 3.46Å; N47-E75 VanDerWaalsContact CG-OE2 3.3Å; N47-E75 PolarHBondContact N-OE2 3.41Å; N47-E75 PolarHBondContact ND2-OE2 3.43Å; S48-E75 PolarHBondContact N-O 3.42Å; S48-E75 PolarHBondContact OG-O 2.75Å; S48-E75 VanDerWaalsContact OG-O 3.13Å; E75-M77 PolarHBondContact O-N 2.81Å; E75-D104 PolarHBondContact N-O 2.89Å
76	V	96.6	Very high	95.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	109.3	167.1	-179.7	0	0	0	0	109.6	I45 S48 L73 F81 P103 D104 A106	I45-V76 HydrophobicContact CD1-CG2 4.14Å; S48-V76 WeakPolarHBondContact OG-CA 3.45Å; L73-V76 HydrophobicContact CB-CG2 4.02Å; V76-F81 HydrophobicContact CG1-CB 4.04Å; V76-F81 HydrophobicContact CG1-CD1 3.7Å; V76-F81 HydrophobicContact CG1-CG 4.14Å; V76-F81 HydrophobicContact CG2-CD1 4.29Å; V76-F81 HydrophobicContact CG2-CE1 4.37Å; V76-P103 HydrophobicContact CB-CB 4.43Å; V76-P103 HydrophobicContact CG1-CB 4.12Å; V76-P103 HydrophobicContact CG1-CG 4.23Å; V76-P103 WeakPolarHBondContact O-CD 3.48Å; V76-D104 PolarHBondContact N-O 3.39Å; V76-D104 WeakPolarHBondContact O-CA 3.44Å; V76-D104 PolarHBondContact O-N 2.96Å; V76-A106 HydrophobicContact CG2-CB 3.87Å
77	M	93.3	Very high	95.8	Very high	79 Å²	79	38.6 Å²	38.6	39%	0.389	20%	0.196	S	C	.	.			trans	-82.2	-21.4	-167.7	-69.8	-149	-63.7	0	0	115.6	N47 S48 A50 E75 Y102	N47-M77 HydrophobicContact CB-CE 4.18Å; N47-M77 HydrophobicContact CB-CG 3.98Å; N47-M77 HydrophobicContact CB-SD 3.59Å; N47-M77 VanDerWaalsContact CB-SD 3.59Å; N47-M77 WeakPolarHBondContact O-CE 3.19Å; S48-M77 PolarHBondContact OG-N 3.18Å; A50-M77 HydrophobicContact CB-CE 3.97Å; E75-M77 PolarHBondContact O-N 2.81Å; M77-Y102 HydrophobicContact CB-CD2 4.42Å; M77-Y102 HydrophobicContact CB-CE2 4.3Å; M77-Y102 HydrophobicContact CG-CE2 4.11Å
78	A	92.2	Very high	95.9	Very high	43 Å²	43	37.4 Å²	37.4	36%	0.355	19%	0.194	S	C	.	.			trans	-157.9	147.8	-174.3	0	0	0	0	0	112.4	G80 F81	A78-G80 PolarHBondContact O-N 2.69Å; A78-F81 WeakPolarHBondContact O-CB 3.15Å; A78-F81 PolarHBondContact O-N 3.14Å
79	T	85.1	Confident	96	Very high	64 Å²	64	37.9 Å²	37.9	39%	0.393	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.4	176.8	55.1	0	0	0	0	114.6	F81 E97 D100 P103	T79-F81 VanDerWaalsContact C-N 3.29Å; T79-F81 PolarHBondContact O-N 2.97Å; T79-E97 VanDerWaalsContact CA-OE1 3.28Å; T79-E97 WeakPolarHBondContact CA-OE1 3.24Å; T79-D100 WeakPolarHBondContact CG2-O 3.48Å; T79-P103 HydrophobicContact CG2-CG 3.99Å
80	G	90.6	Very high	96	Very high	34 Å²	34	39 Å²	39	35%	0.351	21%	0.207	S	C	.	.	H	α-helix	trans	-71.8	-20.9	173.7	0	0	0	0	0	114	A78 N83 I84	A78-G80 PolarHBondContact O-N 2.69Å; G80-N83 PolarHBondContact O-N 3.11Å; G80-I84 WeakPolarHBondContact O-CG1 3.28Å; G80-I84 PolarHBondContact O-N 3.48Å
81	F	95.1	Very high	95.9	Very high	11 Å²	11	45.5 Å²	45.5	5%	0.048	25%	0.25	C	C	.	.	H	α-helix	trans	-61.2	-49.6	-173	174.1	-99.9	0	0	0	112	I45 L56 L73 V76 A78 T79 N83 I84 I85	I45-F81 HydrophobicContact CD1-CE1 3.6Å; I45-F81 HydrophobicContact CD1-CE2 4.11Å; I45-F81 HydrophobicContact CD1-CZ 3.34Å; L56-F81 HydrophobicContact CD1-CD2 3.8Å; L56-F81 HydrophobicContact CD1-CE2 3.76Å; L56-F81 HydrophobicContact CG-CD2 4.47Å; L56-F81 HydrophobicContact CG-CE2 3.93Å; L73-F81 HydrophobicContact CD1-CE1 4Å; V76-F81 HydrophobicContact CG1-CB 4.04Å; V76-F81 HydrophobicContact CG1-CD1 3.7Å; V76-F81 HydrophobicContact CG1-CG 4.14Å; V76-F81 HydrophobicContact CG2-CD1 4.29Å; V76-F81 HydrophobicContact CG2-CE1 4.37Å; A78-F81 WeakPolarHBondContact O-CB 3.15Å; A78-F81 PolarHBondContact O-N 3.14Å; T79-F81 VanDerWaalsContact C-N 3.29Å; T79-F81 PolarHBondContact O-N 2.97Å; F81-N83 VanDerWaalsContact C-N 3.31Å; F81-N83 PolarHBondContact O-N 2.98Å; F81-I84 PolarHBondContact O-N 3.37Å; F81-I85 HydrophobicContact CD1-CG2 4.06Å; F81-I85 HydrophobicContact CE1-CB 4.24Å; F81-I85 HydrophobicContact CE1-CD1 4.06Å; F81-I85 HydrophobicContact CE1-CG2 3.73Å; F81-I85 HydrophobicContact CZ-CB 4.15Å; F81-I85 HydrophobicContact CZ-CD1 3.68Å; F81-I85 HydrophobicContact CZ-CG2 4.16Å; F81-I85 WeakPolarHBondContact O-CG2 3.43Å; F81-I85 PolarHBondContact O-N 3.25Å
82	L	95.3	Very high	95.6	Very high	10 Å²	10	51.5 Å²	51.5	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-40.9	-177.9	-72.1	-167.8	0	0	0	112.9	I84 I85 L86 A95 E97 A106 L108	L82-I84 PolarHBondContact O-N 3.04Å; L82-I85 HydrophobicContact CD2-CG2 4.05Å; L82-I85 WeakPolarHBondContact O-CG2 3.44Å; L82-I85 PolarHBondContact O-N 2.91Å; L82-L86 VanDerWaalsContact O-CB 3.27Å; L82-L86 WeakPolarHBondContact O-CB 3.34Å; L82-L86 WeakPolarHBondContact O-CG 3.4Å; L82-L86 PolarHBondContact O-N 3.33Å; L82-A95 HydrophobicContact CB-CB 4.46Å; L82-A95 HydrophobicContact CD1-CB 3.58Å; L82-A95 HydrophobicContact CD2-CB 4.11Å; L82-A95 HydrophobicContact CG-CB 4.29Å; L82-E97 HydrophobicContact CD1-CB 3.51Å; L82-E97 HydrophobicContact CD1-CG 3.62Å; L82-E97 WeakPolarHBondContact CD1-OE2 3.28Å; L82-E97 HydrophobicContact CG-CB 4.39Å; L82-E97 HydrophobicContact CG-CG 4.47Å; L82-E97 VanDerWaalsContact CG-OE2 3.28Å; L82-E97 WeakPolarHBondContact CG-OE2 3.35Å; L82-A106 HydrophobicContact CD1-CB 4.19Å; L82-A106 HydrophobicContact CD2-CB 3.95Å; L82-A106 HydrophobicContact CG-CB 4.45Å; L82-L108 HydrophobicContact CD2-CD2 3.94Å
83	N	94.9	Very high	95.5	Very high	106 Å²	106	52.2 Å²	52.2	57%	0.567	28%	0.28	S	S	*	.	H	α-helix	trans	-60.2	-32.4	176.5	-73.6	-43.6	0	0	0	112.8	G80 F81 R87	G80-N83 PolarHBondContact O-N 3.11Å; F81-N83 VanDerWaalsContact C-N 3.31Å; F81-N83 PolarHBondContact O-N 2.98Å; N83-R87 WeakPolarHBondContact O-CD 3.5Å; N83-R87 VanDerWaalsContact O-CG 3.31Å; N83-R87 WeakPolarHBondContact O-CG 3.26Å; N83-R87 PolarHBondContact O-NE 3.32Å
84	I	96.9	Very high	95.5	Very high	78 Å²	78	54.9 Å²	54.9	40%	0.4	30%	0.297	S	S	.	.	H	α-helix	trans	-81.1	-49.9	179.2	-58.7	167.3	0	0	0	109.9	L56 G80 F81 L82 L86 R87 H88	L56-I84 HydrophobicContact CD1-CB 4.08Å; L56-I84 HydrophobicContact CD1-CG2 3.66Å; L56-I84 HydrophobicContact CD2-CG2 3.75Å; L56-I84 HydrophobicContact CG-CG2 4.41Å; G80-I84 WeakPolarHBondContact O-CG1 3.28Å; G80-I84 PolarHBondContact O-N 3.48Å; F81-I84 PolarHBondContact O-N 3.37Å; L82-I84 PolarHBondContact O-N 3.04Å; I84-L86 VanDerWaalsContact C-N 3.33Å; I84-L86 PolarHBondContact O-N 2.89Å; I84-R87 WeakPolarHBondContact O-CB 3.49Å; I84-R87 PolarHBondContact O-N 3.48Å; I84-H88 PolarHBondContact O-CD2 2.85Å; I84-H88 PolarHBondContact O-N 3.36Å
85	I	98.1	Very high	95.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.1	-37.9	-177.1	-171.8	161.5	0	0	0	112	I59 A60 I63 F81 L82 R87 H88 L89 L108	I59-I85 HydrophobicContact CB-CD1 4.42Å; I59-I85 HydrophobicContact CG2-CD1 3.58Å; A60-I85 HydrophobicContact CB-CG1 4.27Å; I63-I85 HydrophobicContact CD1-CD1 4.16Å; F81-I85 HydrophobicContact CD1-CG2 4.06Å; F81-I85 HydrophobicContact CE1-CB 4.24Å; F81-I85 HydrophobicContact CE1-CD1 4.06Å; F81-I85 HydrophobicContact CE1-CG2 3.73Å; F81-I85 HydrophobicContact CZ-CB 4.15Å; F81-I85 HydrophobicContact CZ-CD1 3.68Å; F81-I85 HydrophobicContact CZ-CG2 4.16Å; F81-I85 WeakPolarHBondContact O-CG2 3.43Å; F81-I85 PolarHBondContact O-N 3.25Å; L82-I85 HydrophobicContact CD2-CG2 4.05Å; L82-I85 WeakPolarHBondContact O-CG2 3.44Å; L82-I85 PolarHBondContact O-N 2.91Å; I85-R87 VanDerWaalsContact C-N 3.27Å; I85-R87 PolarHBondContact O-N 3.05Å; I85-H88 PolarHBondContact O-N 3.37Å; I85-L89 HydrophobicContact CG1-CD1 3.96Å; I85-L89 HydrophobicContact CG1-CG 4.07Å; I85-L89 WeakPolarHBondContact O-CG 3.3Å; I85-L89 PolarHBondContact O-N 3.1Å; I85-L108 HydrophobicContact CD1-CD1 4.48Å
86	L	98.2	Very high	95.4	Very high	39 Å²	39	55.1 Å²	55.1	20%	0.204	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-34.6	177.1	-74.1	176.2	0	0	0	112.5	L82 I84 H88 L89 G90 W93 A95 L108	L82-L86 VanDerWaalsContact O-CB 3.27Å; L82-L86 WeakPolarHBondContact O-CB 3.34Å; L82-L86 WeakPolarHBondContact O-CG 3.4Å; L82-L86 PolarHBondContact O-N 3.33Å; I84-L86 VanDerWaalsContact C-N 3.33Å; I84-L86 PolarHBondContact O-N 2.89Å; L86-H88 VanDerWaalsContact C-N 3.27Å; L86-H88 PolarHBondContact O-N 3.1Å; L86-L89 PolarHBondContact O-N 3.1Å; L86-G90 PolarHBondContact O-N 3.19Å; L86-W93 HydrophobicContact CD2-CB 3.67Å; L86-A95 HydrophobicContact CD1-CB 3.88Å; L86-A95 HydrophobicContact CD2-CB 4.13Å; L86-A95 HydrophobicContact CG-CB 4.25Å; L86-L108 HydrophobicContact CD2-CD2 4.12Å
87	R	97.4	Very high	95.2	Very high	207 Å²	207	56.9 Å²	56.9	78%	0.781	31%	0.312	S	S	*	.	H	α-helix	trans	-64.6	-33.2	174.9	-69.3	170.4	-175.3	-172	1.5	112.3	N83 I84 I85	N83-R87 WeakPolarHBondContact O-CD 3.5Å; N83-R87 VanDerWaalsContact O-CG 3.31Å; N83-R87 WeakPolarHBondContact O-CG 3.26Å; N83-R87 PolarHBondContact O-NE 3.32Å; I84-R87 WeakPolarHBondContact O-CB 3.49Å; I84-R87 PolarHBondContact O-N 3.48Å; I85-R87 VanDerWaalsContact C-N 3.27Å; I85-R87 PolarHBondContact O-N 3.05Å
88	H	97.9	Very high	94.7	Very high	88 Å²	88	53.1 Å²	53.1	41%	0.407	29%	0.293	S	S	.	.	H	α-helix	trans	-80.6	-30.9	176.3	-70.6	-70.5	0	0	0	112.9	A60 I84 I85 L86	A60-H88 HydrophobicContact CB-CB 3.63Å; I84-H88 PolarHBondContact O-CD2 2.85Å; I84-H88 PolarHBondContact O-N 3.36Å; I85-H88 PolarHBondContact O-N 3.37Å; L86-H88 VanDerWaalsContact C-N 3.27Å; L86-H88 PolarHBondContact O-N 3.1Å
89	L	98.3	Very high	94.2	Very high	10 Å²	10	57.4 Å²	57.4	5%	0.052	31%	0.31	C	S	.	.	H	α-helix	trans	-76.6	-30.5	177.3	-66.5	177.1	0	0	0	112.8	A60 I63 L64 I85 L86 W93 L108	A60-L89 HydrophobicContact CB-CD2 4.13Å; I63-L89 HydrophobicContact CB-CD2 3.92Å; I63-L89 HydrophobicContact CG2-CD2 3.68Å; L64-L89 HydrophobicContact CD2-CD2 4.17Å; L64-L89 HydrophobicContact CG-CD2 3.9Å; I85-L89 HydrophobicContact CG1-CD1 3.96Å; I85-L89 HydrophobicContact CG1-CG 4.07Å; I85-L89 WeakPolarHBondContact O-CG 3.3Å; I85-L89 PolarHBondContact O-N 3.1Å; L86-L89 PolarHBondContact O-N 3.1Å; L89-W93 HydrophobicContact CB-CB 3.98Å; L89-W93 HydrophobicContact CB-CD2 4.01Å; L89-W93 HydrophobicContact CB-CG 3.57Å; L89-W93 HydrophobicContact CD1-CB 4.41Å; L89-W93 HydrophobicContact CD1-CD2 3.93Å; L89-W93 HydrophobicContact CD1-CE3 4Å; L89-W93 HydrophobicContact CD1-CG 4.16Å; L89-W93 HydrophobicContact CG-CD2 4.43Å; L89-W93 HydrophobicContact CG-CG 4.44Å; L89-W93 PolarHBondContact O-NE1 2.91Å; L89-L108 HydrophobicContact CD1-CD1 3.82Å; L89-L108 HydrophobicContact CD1-CD2 4.41Å
90	G	97	Very high	94.2	Very high	22 Å²	22	57.3 Å²	57.3	23%	0.227	31%	0.307	C	S	.	.			trans	104	172.8	176.2	0	0	0	0	0	114.2	L86 E92 W93	L86-G90 PolarHBondContact O-N 3.19Å; G90-E92 PolarHBondContact O-N 3.35Å; G90-E92 VanDerWaalsContact O-N 3.15Å; G90-W93 PolarHBondContact O-N 3.15Å; G90-W93 VanDerWaalsContact O-N 3.14Å
91	P	95.6	Very high	94	Very high	138 Å²	138	60.5 Å²	60.5	90%	0.896	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.4	-164.7	28	-36.8	0	0	0	115.2	W93	P91-W93 VanDerWaalsContact C-N 3.31Å
92	E	93.3	Very high	93.7	Very high	125 Å²	125	64.1 Å²	64.1	58%	0.584	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.1	177	-62.9	-177.7	-174.2	0	0	112.8	G90 R110	G90-E92 PolarHBondContact O-N 3.35Å; G90-E92 VanDerWaalsContact O-N 3.15Å; E92-R110 CarbonylContact O-C 3.52Å; E92-R110 WeakPolarHBondContact O-CA 3.24Å
93	W	97.8	Very high	93.5	Very high	15 Å²	15	63.7 Å²	63.7	6%	0.057	34%	0.336	C	S	.	.			trans	-85.9	136.8	-177.9	-69.6	82.8	0	0	0	111.5	I63 P68 V71 L86 L89 G90 P91 L108 T109 R110	I63-W93 HydrophobicContact CG2-CH2 3.37Å; I63-W93 HydrophobicContact CG2-CZ2 3.75Å; I63-W93 HydrophobicContact CG2-CZ3 4Å; P68-W93 HydrophobicContact CG-CH2 4.19Å; P68-W93 WeakPolarHBondContact O-CH2 3.47Å; V71-W93 HydrophobicContact CG2-CH2 4.24Å; V71-W93 HydrophobicContact CG2-CZ3 4.01Å; L86-W93 HydrophobicContact CD2-CB 3.67Å; L89-W93 HydrophobicContact CB-CB 3.98Å; L89-W93 HydrophobicContact CB-CD2 4.01Å; L89-W93 HydrophobicContact CB-CG 3.57Å; L89-W93 HydrophobicContact CD1-CB 4.41Å; L89-W93 HydrophobicContact CD1-CD2 3.93Å; L89-W93 HydrophobicContact CD1-CE3 4Å; L89-W93 HydrophobicContact CD1-CG 4.16Å; L89-W93 HydrophobicContact CG-CD2 4.43Å; L89-W93 HydrophobicContact CG-CG 4.44Å; L89-W93 PolarHBondContact O-NE1 2.91Å; G90-W93 PolarHBondContact O-N 3.15Å; G90-W93 VanDerWaalsContact O-N 3.14Å; P91-W93 VanDerWaalsContact C-N 3.31Å; W93-L108 HydrophobicContact CE3-CB 4.06Å; W93-L108 HydrophobicContact CZ3-CB 4.06Å; W93-T109 CarbonylContact C-O 3.44Å; W93-T109 WeakPolarHBondContact CA-O 3.33Å; W93-R110 HydrophobicContact CD2-CG 3.43Å; W93-R110 VanDerWaalsContact CD2-CG 3.43Å; W93-R110 HydrophobicContact CE3-CG 3.89Å; W93-R110 HydrophobicContact CG-CG 3.92Å; W93-R110 HydrophobicContact CH2-CG 3.96Å; W93-R110 HydrophobicContact CZ2-CG 3.53Å; W93-R110 VanDerWaalsContact CZ2-NH1 3.35Å; W93-R110 HydrophobicContact CZ3-CG 4.12Å
94	T	96.9	Very high	93.5	Very high	57 Å²	57	59.2 Å²	59.2	35%	0.35	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	162.3	169.6	64	0	0	0	0	109.4	L108 T109 H111	T94-L108 WeakPolarHBondContact O-CA 3.18Å; T94-T109 PolarHBondContact N-O 2.95Å; T94-T109 PolarHBondContact O-N 2.84Å; T94-H111 PolarHBondContact OG1-O 2.86Å
95	A	97.2	Very high	93.4	Very high	29 Å²	29	55.5 Å²	55.5	24%	0.24	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	154.3	-175.5	0	0	0	0	0	111.3	L82 L86 I107 L108 I113	L82-A95 HydrophobicContact CB-CB 4.46Å; L82-A95 HydrophobicContact CD1-CB 3.58Å; L82-A95 HydrophobicContact CD2-CB 4.11Å; L82-A95 HydrophobicContact CG-CB 4.29Å; L86-A95 HydrophobicContact CD1-CB 3.88Å; L86-A95 HydrophobicContact CD2-CB 4.13Å; L86-A95 HydrophobicContact CG-CB 4.25Å; A95-I107 CarbonylContact C-O 3.58Å; A95-I107 VanDerWaalsContact CA-O 3.24Å; A95-I107 WeakPolarHBondContact CA-O 3.48Å; A95-L108 HydrophobicContact CB-CD2 3.53Å; A95-I113 VanDerWaalsContact C-CD1 3.49Å
96	A	95.6	Very high	93.4	Very high	3 Å²	3	55.5 Å²	55.5	3%	0.025	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.9	163.7	0	0	0	0	0	108.5	A106 I107 I113 W116 M131	A96-A106 CarbonylContact O-C 3.36Å; A96-A106 VanDerWaalsContact O-CA 3.3Å; A96-A106 WeakPolarHBondContact O-CA 3.44Å; A96-A106 WeakPolarHBondContact O-CB 3.36Å; A96-I107 PolarHBondContact N-O 3.29Å; A96-I107 PolarHBondContact O-N 2.87Å; A96-I113 HydrophobicContact CB-CD1 3.86Å; A96-W116 HydrophobicContact CB-CB 3.9Å; A96-W116 HydrophobicContact CB-CD2 4.02Å; A96-W116 HydrophobicContact CB-CG 3.55Å; A96-M131 HydrophobicContact CB-CE 3.95Å
97	E	92.6	Very high	93.4	Very high	37 Å²	37	53.6 Å²	53.6	17%	0.173	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	164.8	170.9	61.1	-174.1	-178.6	0	0	109.4	T79 L82 P103 A106	T79-E97 VanDerWaalsContact CA-OE1 3.28Å; T79-E97 WeakPolarHBondContact CA-OE1 3.24Å; L82-E97 HydrophobicContact CD1-CB 3.51Å; L82-E97 HydrophobicContact CD1-CG 3.62Å; L82-E97 WeakPolarHBondContact CD1-OE2 3.28Å; L82-E97 HydrophobicContact CG-CB 4.39Å; L82-E97 HydrophobicContact CG-CG 4.47Å; L82-E97 VanDerWaalsContact CG-OE2 3.28Å; L82-E97 WeakPolarHBondContact CG-OE2 3.35Å; E97-P103 HydrophobicContact CB-CB 3.97Å; E97-P103 HydrophobicContact CG-CB 4.36Å; E97-P103 HydrophobicContact CG-CG 4.47Å; E97-A106 HydrophobicContact CB-CB 4.03Å
98	A	82.3	Confident	93.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.246	C	C	.	.			trans	-67.3	141.1	165.8	0	0	0	0	0	110.7	D100 P103 D118 W119	A98-D100 VanDerWaalsContact C-N 3.27Å; A98-D100 PolarHBondContact O-N 2.94Å; A98-P103 WeakPolarHBondContact O-CB 3.25Å; A98-D118 WeakPolarHBondContact CA-OD1 3.4Å; A98-W119 HydrophobicContact CB-CB 4.42Å; A98-W119 HydrophobicContact CB-CD2 3.91Å; A98-W119 HydrophobicContact CB-CG 3.66Å
99	N	83	Confident	93.4	Very high	132 Å²	132	39.6 Å²	39.6	71%	0.706	23%	0.226	S	C	*	.	S	Bend	trans	-83.8	68.8	-178.1	179.6	44.1	0	0	0	110.7	D118	N99-D118 WeakPolarHBondContact CB-OD2 3.38Å; N99-D118 PolarHBondContact N-OD1 3Å
100	D	84.5	Confident	93.3	Very high	63 Å²	63	40.4 Å²	40.4	34%	0.337	23%	0.229	S	C	.	.	S	Bend	trans	-134.2	154.9	176.4	-160.5	-48.9	0	0	0	109.9	T79 A98 Y102 P103	T79-D100 WeakPolarHBondContact CG2-O 3.48Å; A98-D100 VanDerWaalsContact C-N 3.27Å; A98-D100 PolarHBondContact O-N 2.94Å; D100-Y102 PolarHBondContact O-N 3.34Å; D100-Y102 PolarHBondContact OD1-N 2.81Å; D100-P103 WeakPolarHBondContact O-CD 3.36Å; D100-P103 WeakPolarHBondContact O-CG 3.49Å
101	S	85.5	Confident	93.2	Very high	100 Å²	100	40.1 Å²	40.1	70%	0.699	22%	0.221	S	C	*	.	S	Bend	trans	-50.9	-34.2	168.3	61.8	0	0	0	0	113.5
102	Y	89.4	Confident	93.2	Very high	88 Å²	88	39.4 Å²	39.4	35%	0.345	20%	0.204	S	C	.	.	S	Bend	trans	-118.7	91.6	170.2	178.7	-101.4	0	0	0	108.5	M77 D100 D104	M77-Y102 HydrophobicContact CB-CD2 4.42Å; M77-Y102 HydrophobicContact CB-CE2 4.3Å; M77-Y102 HydrophobicContact CG-CE2 4.11Å; D100-Y102 PolarHBondContact O-N 3.34Å; D100-Y102 PolarHBondContact OD1-N 2.81Å; Y102-D104 VanDerWaalsContact C-N 3.28Å; Y102-D104 HydrophobicContact CD1-CB 3.9Å; Y102-D104 HydrophobicContact CE1-CB 3.38Å; Y102-D104 WeakPolarHBondContact CE1-OD1 3.39Å; Y102-D104 PolarHBondContact O-N 2.79Å; Y102-D104 PolarHBondContact OH-OD1 2.8Å
103	P	91.5	Very high	93.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.			trans	-63.9	-31.7	-175.5	-25	34.1	0	0	0	114.3	V76 T79 E97 A98 D100 V105 W119	V76-P103 HydrophobicContact CB-CB 4.43Å; V76-P103 HydrophobicContact CG1-CB 4.12Å; V76-P103 HydrophobicContact CG1-CG 4.23Å; V76-P103 WeakPolarHBondContact O-CD 3.48Å; T79-P103 HydrophobicContact CG2-CG 3.99Å; E97-P103 HydrophobicContact CB-CB 3.97Å; E97-P103 HydrophobicContact CG-CB 4.36Å; E97-P103 HydrophobicContact CG-CG 4.47Å; A98-P103 WeakPolarHBondContact O-CB 3.25Å; D100-P103 WeakPolarHBondContact O-CD 3.36Å; D100-P103 WeakPolarHBondContact O-CG 3.49Å; P103-V105 PolarHBondContact O-N 3.05Å; P103-W119 WeakPolarHBondContact O-CZ2 3.32Å
104	D	94.3	Very high	93.3	Very high	12 Å²	12	37 Å²	37	6%	0.064	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.8	-57.6	-176.5	-164.7	40.2	0	0	0	115	Q74 E75 V76 Y102 W119 H152	Q74-D104 CarbonylContact C-O 3.58Å; Q74-D104 WeakPolarHBondContact CA-O 3.46Å; E75-D104 PolarHBondContact N-O 2.89Å; V76-D104 PolarHBondContact N-O 3.39Å; V76-D104 WeakPolarHBondContact O-CA 3.44Å; V76-D104 PolarHBondContact O-N 2.96Å; Y102-D104 VanDerWaalsContact C-N 3.28Å; Y102-D104 HydrophobicContact CD1-CB 3.9Å; Y102-D104 HydrophobicContact CE1-CB 3.38Å; Y102-D104 WeakPolarHBondContact CE1-OD1 3.39Å; Y102-D104 PolarHBondContact O-N 2.79Å; Y102-D104 PolarHBondContact OH-OD1 2.8Å; D104-W119 HydrophobicContact CB-CH2 3.52Å; D104-W119 HydrophobicContact CB-CZ2 3.5Å; D104-H152 IonicContact OD1-CE1 2.92Å; D104-H152 IonicContact OD1-ND1 3.87Å; D104-H152 PolarHBondContact OD1-ND1 2.91Å; D104-H152 IonicContact OD2-CE1 3.11Å; D104-H152 IonicContact OD2-CG 3.96Å; D104-H152 IonicContact OD2-ND1 3.27Å; D104-H152 PolarHBondContact OD2-ND1 2.84Å
105	V	95.3	Very high	93.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.1	-179.7	-67.8	0	0	0	0	111.5	L73 P103 W119 M131 H152	L73-V105 WeakPolarHBondContact O-CA 3.37Å; P103-V105 PolarHBondContact O-N 3.05Å; V105-W119 HydrophobicContact CG2-CE3 4.43Å; V105-W119 HydrophobicContact CG2-CH2 4.22Å; V105-W119 HydrophobicContact CG2-CZ3 4.05Å; V105-M131 HydrophobicContact CB-CG 4.3Å; V105-M131 HydrophobicContact CB-SD 4.46Å; V105-M131 HydrophobicContact CG2-CB 4.04Å; V105-M131 HydrophobicContact CG2-CG 3.8Å; V105-M131 HydrophobicContact CG2-SD 4.09Å; V105-H152 HydrophobicContact CG1-CB 3.63Å
106	A	96.8	Very high	93.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	154.6	171.9	0	0	0	0	0	112	L73 V76 L82 A96 E97 N150	L73-A106 HydrophobicContact CB-CB 4.35Å; L73-A106 PolarHBondContact N-O 3.38Å; L73-A106 PolarHBondContact O-N 3.22Å; V76-A106 HydrophobicContact CG2-CB 3.87Å; L82-A106 HydrophobicContact CD1-CB 4.19Å; L82-A106 HydrophobicContact CD2-CB 3.95Å; L82-A106 HydrophobicContact CG-CB 4.45Å; A96-A106 CarbonylContact O-C 3.36Å; A96-A106 VanDerWaalsContact O-CA 3.3Å; A96-A106 WeakPolarHBondContact O-CA 3.44Å; A96-A106 WeakPolarHBondContact O-CB 3.36Å; E97-A106 HydrophobicContact CB-CB 4.03Å; A106-N150 PolarHBondContact N-ND2 2.91Å; A106-N150 PolarHBondContact O-ND2 2.85Å
107	I	98.3	Very high	93.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.9	175.7	-63.3	164.9	0	0	0	108.1	I70 V71 A95 A96 M131 A133 I135 F148 N150	I70-I107 HydrophobicContact CG2-CG2 3.87Å; V71-I107 WeakPolarHBondContact O-CA 3.26Å; A95-I107 CarbonylContact C-O 3.58Å; A95-I107 VanDerWaalsContact CA-O 3.24Å; A95-I107 WeakPolarHBondContact CA-O 3.48Å; A96-I107 PolarHBondContact N-O 3.29Å; A96-I107 PolarHBondContact O-N 2.87Å; I107-M131 HydrophobicContact CD1-CE 4.31Å; I107-M131 HydrophobicContact CD1-CG 3.91Å; I107-M131 HydrophobicContact CD1-SD 4.18Å; I107-M131 HydrophobicContact CG1-CG 4.28Å; I107-M131 HydrophobicContact CG1-SD 4.15Å; I107-A133 HydrophobicContact CD1-CB 3.67Å; I107-A133 HydrophobicContact CG2-CB 4.23Å; I107-I135 HydrophobicContact CG2-CD1 3.99Å; I107-F148 HydrophobicContact CD1-CD1 3.84Å; I107-F148 HydrophobicContact CD1-CE1 4.43Å; I107-F148 HydrophobicContact CG1-CD1 3.93Å; I107-F148 HydrophobicContact CG1-CE1 4.07Å; I107-F148 HydrophobicContact CG2-CD1 3.82Å; I107-F148 HydrophobicContact CG2-CE1 4.14Å; I107-N150 HydrophobicContact CD1-CB 4.18Å; I107-N150 HydrophobicContact CG1-CB 3.83Å
108	L	98.5	Very high	92.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145.9	171.2	-58.2	169.6	0	0	0	110.1	I63 I70 V71 L73 L82 I85 L86 L89 W93 T94 A95	I63-L108 HydrophobicContact CD1-CD1 3.79Å; I70-L108 CarbonylContact C-O 3.6Å; I70-L108 WeakPolarHBondContact CA-O 3.09Å; V71-L108 HydrophobicContact CB-CB 4.05Å; V71-L108 HydrophobicContact CB-CD1 4.4Å; V71-L108 HydrophobicContact CG2-CB 4.32Å; V71-L108 PolarHBondContact N-O 2.78Å; V71-L108 PolarHBondContact O-N 3.25Å; L73-L108 HydrophobicContact CD1-CD1 3.44Å; L73-L108 VanDerWaalsContact CD1-CD1 3.44Å; L73-L108 HydrophobicContact CD1-CG 3.84Å; L73-L108 HydrophobicContact CD2-CD1 4.39Å; L73-L108 HydrophobicContact CG-CD1 4Å; L73-L108 HydrophobicContact CG-CG 4.3Å; L82-L108 HydrophobicContact CD2-CD2 3.94Å; I85-L108 HydrophobicContact CD1-CD1 4.48Å; L86-L108 HydrophobicContact CD2-CD2 4.12Å; L89-L108 HydrophobicContact CD1-CD1 3.82Å; L89-L108 HydrophobicContact CD1-CD2 4.41Å; W93-L108 HydrophobicContact CE3-CB 4.06Å; W93-L108 HydrophobicContact CZ3-CB 4.06Å; T94-L108 WeakPolarHBondContact O-CA 3.18Å; A95-L108 HydrophobicContact CB-CD2 3.53Å
109	T	98.1	Very high	92.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	148.7	171.9	-175.9	0	0	0	0	111.9	D69 W93 T94 H111 I113 I135	D69-T109 VanDerWaalsContact O-CA 3.31Å; D69-T109 WeakPolarHBondContact O-CA 3.5Å; D69-T109 WeakPolarHBondContact O-CB 3.48Å; D69-T109 PolarHBondContact O-OG1 3.34Å; W93-T109 CarbonylContact C-O 3.44Å; W93-T109 WeakPolarHBondContact CA-O 3.33Å; T94-T109 PolarHBondContact N-O 2.95Å; T94-T109 PolarHBondContact O-N 2.84Å; T109-H111 WeakPolarHBondContact CG2-O 3.4Å; T109-H111 PolarHBondContact O-N 2.78Å; T109-H111 WeakPolarHBondContact OG1-CB 3.43Å; T109-H111 PolarHBondContact OG1-CD2 2.93Å; T109-H111 PolarHBondContact OG1-N 3.31Å; T109-H111 VanDerWaalsContact OG1-N 3.09Å; T109-I113 HydrophobicContact CG2-CD1 4.05Å; T109-I113 HydrophobicContact CG2-CG1 3.54Å; T109-I135 HydrophobicContact CG2-CD1 4.3Å; T109-I135 HydrophobicContact CG2-CG2 4.2Å
110	R	95.2	Very high	91.9	Very high	27 Å²	27	40.5 Å²	40.5	10%	0.102	20%	0.204	C	C	.	.	S	Bend	trans	-80.3	5.3	166.7	-66.8	-165.4	-59.6	-87.1	-4.1	113.5	Y67 P68 D69 E92 W93	Y67-R110 VanDerWaalsContact CD2-NH1 3.26Å; Y67-R110 PolarHBondContact O-NH1 2.98Å; Y67-R110 VanDerWaalsContact O-NH1 3.16Å; Y67-R110 PolarHBondContact O-NH2 2.84Å; P68-R110 PolarHBondContact O-NH1 2.84Å; P68-R110 PolarHBondContact O-NH2 2.84Å; D69-R110 PolarHBondContact O-N 2.9Å; D69-R110 IonicContact OD1-NH2 3.67Å; E92-R110 CarbonylContact O-C 3.52Å; E92-R110 WeakPolarHBondContact O-CA 3.24Å; W93-R110 HydrophobicContact CD2-CG 3.43Å; W93-R110 VanDerWaalsContact CD2-CG 3.43Å; W93-R110 HydrophobicContact CE3-CG 3.89Å; W93-R110 HydrophobicContact CG-CG 3.92Å; W93-R110 HydrophobicContact CH2-CG 3.96Å; W93-R110 HydrophobicContact CZ2-CG 3.53Å; W93-R110 VanDerWaalsContact CZ2-NH1 3.35Å; W93-R110 HydrophobicContact CZ3-CG 4.12Å
111	H	95.7	Very high	90.9	Very high	16 Å²	16	38.6 Å²	38.6	7%	0.074	20%	0.197	C	C	.	.	S	Bend	trans	-113.6	-175.7	-173.5	-62.4	-68.9	0	0	0	110.9	D69 T94 T109 I135 R136 I137 S138	D69-H111 WeakPolarHBondContact CB-NE2 3.44Å; D69-H111 IonicContact OD1-CD2 2.91Å; D69-H111 IonicContact OD1-CE1 2.71Å; D69-H111 IonicContact OD1-NE2 2.59Å; D69-H111 PolarHBondContact OD1-NE2 3.39Å; T94-H111 PolarHBondContact OG1-O 2.86Å; T109-H111 WeakPolarHBondContact CG2-O 3.4Å; T109-H111 PolarHBondContact O-N 2.78Å; T109-H111 WeakPolarHBondContact OG1-CB 3.43Å; T109-H111 PolarHBondContact OG1-CD2 2.93Å; T109-H111 PolarHBondContact OG1-N 3.31Å; T109-H111 VanDerWaalsContact OG1-N 3.09Å; H111-I135 HydrophobicContact CB-CG2 3.82Å; H111-R136 WeakPolarHBondContact CB-O 3.35Å; H111-I137 HydrophobicContact CB-CD1 4.21Å; H111-S138 PolarHBondContact ND1-N 2.79Å
112	K	95.3	Very high	89.9	Confident	123 Å²	123	37.7 Å²	37.7	54%	0.535	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	115.8	-179.7	-176.3	176.7	-178	177.4	0	110.4	V114 R136	K112-V114 PolarHBondContact O-N 2.91Å; K112-R136 HydrophobicContact CB-CB 4.46Å; K112-R136 PolarHBondContact N-O 3.4Å; K112-R136 PolarHBondContact O-N 2.89Å
113	I	97.3	Very high	88.8	Confident	23 Å²	23	37.4 Å²	37.4	12%	0.118	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	120.5	162.1	-55.8	177.7	0	0	0	107.8	A95 A96 T109 W116 A133	A95-I113 VanDerWaalsContact C-CD1 3.49Å; A96-I113 HydrophobicContact CB-CD1 3.86Å; T109-I113 HydrophobicContact CG2-CD1 4.05Å; T109-I113 HydrophobicContact CG2-CG1 3.54Å; I113-W116 HydrophobicContact CG2-CB 4.24Å; I113-W116 HydrophobicContact CG2-CD2 4.23Å; I113-W116 HydrophobicContact CG2-CE3 3.52Å; I113-W116 HydrophobicContact CG2-CZ3 4.24Å; I113-A133 HydrophobicContact CG2-CB 4.34Å
114	V	97	Very high	87.9	Confident	67 Å²	67	41.3 Å²	41.3	41%	0.406	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-42.9	-180	176.8	0	0	0	0	110.5	K112 H134 R136 L145	K112-V114 PolarHBondContact O-N 2.91Å; V114-H134 WeakPolarHBondContact CB-O 3.46Å; V114-H134 PolarHBondContact N-O 2.77Å; V114-R136 HydrophobicContact CG2-CB 3.98Å; V114-L145 HydrophobicContact CG2-CD2 4.38Å
115	S	96.6	Very high	87.2	Confident	48 Å²	48	45.3 Å²	45.3	34%	0.336	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	159.6	174.4	54.9	0	0	0	0	109	A133 H134	S115-A133 CarbonylContact O-C 3.49Å; S115-A133 WeakPolarHBondContact O-CA 3.47Å; S115-H134 PolarHBondContact O-N 3.13Å; S115-H134 WeakPolarHBondContact OG-CB 3.48Å
116	W	95.6	Very high	86.4	Confident	141 Å²	141	51.2 Å²	51.2	53%	0.534	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	164.2	176.3	65.6	101.1	0	0	0	109.7	A96 I113 W132 A133	A96-W116 HydrophobicContact CB-CB 3.9Å; A96-W116 HydrophobicContact CB-CD2 4.02Å; A96-W116 HydrophobicContact CB-CG 3.55Å; I113-W116 HydrophobicContact CG2-CB 4.24Å; I113-W116 HydrophobicContact CG2-CD2 4.23Å; I113-W116 HydrophobicContact CG2-CE3 3.52Å; I113-W116 HydrophobicContact CG2-CZ3 4.24Å; W116-W132 CarbonylContact C-O 3.57Å; W116-W132 WeakPolarHBondContact CA-O 3.41Å; W116-W132 WeakPolarHBondContact CB-O 3.41Å; W116-A133 HydrophobicContact CB-CB 4.06Å
117	S	93.2	Very high	85.5	Confident	13 Å²	13	54.2 Å²	54.2	9%	0.091	30%	0.303	C	S	.	.			trans	-93.9	158.9	171.1	68.9	0	0	0	0	112.1	V120 M131 W132	S117-V120 WeakPolarHBondContact OG-CG2 3.06Å; S117-M131 WeakPolarHBondContact O-CE 3.43Å; S117-M131 WeakPolarHBondContact OG-CA 3.18Å; S117-W132 PolarHBondContact N-O 3.1Å; S117-W132 PolarHBondContact OG-N 3.49Å
118	D	86.4	Confident	84.9	Confident	73 Å²	73	54.2 Å²	54.2	39%	0.39	30%	0.303	S	S	.	.	S	Bend	trans	-71.6	-166.6	153.3	-155.6	-16.6	0	0	0	110.2	A98 N99 V120	A98-D118 WeakPolarHBondContact CA-OD1 3.4Å; N99-D118 WeakPolarHBondContact CB-OD2 3.38Å; N99-D118 PolarHBondContact N-OD1 3Å; D118-V120 PolarHBondContact O-N 2.93Å; D118-V120 VanDerWaalsContact O-N 3.11Å
119	W	76.7	Confident	84.6	Confident	41 Å²	41	54.4 Å²	54.4	16%	0.155	31%	0.305	C	S	.	.			trans	-46	119.3	159.1	-80.8	116.9	0	0	0	109.8	A98 P103 D104 V105 A121 P127	A98-W119 HydrophobicContact CB-CB 4.42Å; A98-W119 HydrophobicContact CB-CD2 3.91Å; A98-W119 HydrophobicContact CB-CG 3.66Å; P103-W119 WeakPolarHBondContact O-CZ2 3.32Å; D104-W119 HydrophobicContact CB-CH2 3.52Å; D104-W119 HydrophobicContact CB-CZ2 3.5Å; V105-W119 HydrophobicContact CG2-CE3 4.43Å; V105-W119 HydrophobicContact CG2-CH2 4.22Å; V105-W119 HydrophobicContact CG2-CZ3 4.05Å; W119-A121 PolarHBondContact O-N 2.89Å; W119-P127 HydrophobicContact CD2-CB 3.95Å; W119-P127 HydrophobicContact CE3-CB 3.81Å; W119-P127 HydrophobicContact CH2-CB 4.15Å; W119-P127 HydrophobicContact CZ2-CB 4.29Å; W119-P127 HydrophobicContact CZ3-CB 3.93Å
120	V	68	Low	84.4	Confident	15 Å²	15	54.4 Å²	54.4	9%	0.091	31%	0.305	C	S	.	.			trans	-86.3	96.9	170.1	-176.6	0	0	0	0	107	S117 D118 D122 A128 Y130	S117-V120 WeakPolarHBondContact OG-CG2 3.06Å; D118-V120 PolarHBondContact O-N 2.93Å; D118-V120 VanDerWaalsContact O-N 3.11Å; V120-D122 VanDerWaalsContact CG1-OD1 3.3Å; V120-D122 WeakPolarHBondContact CG1-OD1 3.3Å; V120-A128 WeakPolarHBondContact O-CB 3.46Å; V120-Y130 HydrophobicContact CB-CD2 3.73Å; V120-Y130 HydrophobicContact CB-CE2 3.41Å; V120-Y130 VanDerWaalsContact CB-CE2 3.41Å; V120-Y130 HydrophobicContact CG1-CD2 4.31Å; V120-Y130 HydrophobicContact CG1-CE2 3.52Å; V120-Y130 HydrophobicContact CG2-CD2 4.31Å; V120-Y130 HydrophobicContact CG2-CE2 4.32Å; V120-Y130 PolarHBondContact N-O 2.99Å
121	A	64.1	Low	84.4	Confident	23 Å²	23	53.1 Å²	53.1	19%	0.19	30%	0.3	C	S	.	.			trans	-96.1	-8.7	170.7	0	0	0	0	0	112.3	W119 G123 H124	W119-A121 PolarHBondContact O-N 2.89Å; A121-G123 PolarHBondContact O-N 3.37Å; A121-H124 WeakPolarHBondContact O-CB 3.4Å; A121-H124 PolarHBondContact O-CD2 2.8Å; A121-H124 PolarHBondContact O-N 2.78Å
122	D	64.4	Low	84.5	Confident	81 Å²	81	54.3 Å²	54.3	43%	0.433	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	31.9	-176.8	-69.9	-34	0	0	0	114.5	V120 S198	V120-D122 VanDerWaalsContact CG1-OD1 3.3Å; V120-D122 WeakPolarHBondContact CG1-OD1 3.3Å; D122-S198 WeakPolarHBondContact OD2-CB 3.37Å
123	G	66.2	Low	84.6	Confident	83 Å²	83	48.5 Å²	48.5	86%	0.856	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	3.9	-178.3	0	0	0	0	0	115.2	A121	A121-G123 PolarHBondContact O-N 3.37Å
124	H	73	Confident	84.6	Confident	81 Å²	81	48.8 Å²	48.8	38%	0.375	28%	0.28	S	S	.	.			trans	-79.1	153	173.3	-63.1	-68.8	0	0	0	112.4	A121 W126 F186 L194	A121-H124 WeakPolarHBondContact O-CB 3.4Å; A121-H124 PolarHBondContact O-CD2 2.8Å; A121-H124 PolarHBondContact O-N 2.78Å; H124-W126 VanDerWaalsContact C-N 3.28Å; H124-W126 PolarHBondContact O-N 2.82Å; H124-F186 HydrophobicContact CB-CE2 3.79Å; H124-F186 HydrophobicContact CB-CZ 3.69Å; H124-F186 AromaticContact CD2-CZ 3.99Å; H124-F186 AromaticContact CG-CZ 3.51Å; H124-F186 AromaticContact ND1-CZ 3.68Å; H124-L194 WeakPolarHBondContact NE2-CD2 3.39Å
125	A	78.8	Confident	84.7	Confident	97 Å²	97	45.6 Å²	45.6	80%	0.802	26%	0.26	S	S	*	.	S	Bend	trans	-73.7	-18.1	-179.4	0	0	0	0	0	113.8
126	W	79.3	Confident	84.7	Confident	124 Å²	124	48 Å²	48	47%	0.47	26%	0.262	S	S	.	.	S	Bend	trans	-114.5	141.9	-177.7	-55	109.2	0	0	0	110.3	H124 A128 P184 D185 F186	H124-W126 VanDerWaalsContact C-N 3.28Å; H124-W126 PolarHBondContact O-N 2.82Å; W126-A128 PolarHBondContact O-N 3.34Å; W126-P184 PolarHBondContact NE1-O 3.01Å; W126-D185 HydrophobicContact CB-CB 4.43Å; W126-D185 HydrophobicContact CD2-CB 4.11Å; W126-D185 HydrophobicContact CG-CB 3.94Å; W126-F186 HydrophobicContact CB-CD2 4.38Å; W126-F186 HydrophobicContact CB-CE2 4.23Å
127	P	77.6	Confident	84.6	Confident	62 Å²	62	41.3 Å²	41.3	40%	0.403	24%	0.236	S	C	.	.			trans	-56.9	134	173.9	-22.6	32.7	0	0	0	111.2	W119 G129	W119-P127 HydrophobicContact CD2-CB 3.95Å; W119-P127 HydrophobicContact CE3-CB 3.81Å; W119-P127 HydrophobicContact CH2-CB 4.15Å; W119-P127 HydrophobicContact CZ2-CB 4.29Å; W119-P127 HydrophobicContact CZ3-CB 3.93Å; P127-G129 VanDerWaalsContact C-N 3.3Å; P127-G129 PolarHBondContact O-N 3.15Å
128	A	85.2	Confident	84.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.25	C	C	.	.			trans	-85	-2.4	-177.4	0	0	0	0	0	113.6	V120 W126 Y130 Q191 L194	V120-A128 WeakPolarHBondContact O-CB 3.46Å; W126-A128 PolarHBondContact O-N 3.34Å; A128-Y130 HydrophobicContact CB-CD1 3.98Å; A128-Y130 HydrophobicContact CB-CE1 3.22Å; A128-Y130 HydrophobicContact CB-CE2 4.45Å; A128-Y130 VanDerWaalsContact CB-CZ 3.49Å; A128-Y130 WeakPolarHBondContact O-CD1 3.32Å; A128-Y130 VanDerWaalsContact O-CE1 3.29Å; A128-Y130 WeakPolarHBondContact O-CE1 3.19Å; A128-Q191 WeakPolarHBondContact O-CB 3.07Å; A128-Q191 VanDerWaalsContact O-CG 3.27Å; A128-Q191 WeakPolarHBondContact O-CG 3.37Å; A128-Q191 PolarHBondContact O-NE2 3.02Å; A128-L194 HydrophobicContact CB-CD1 4.24Å
129	G	92.3	Very high	84.1	Confident	4 Å²	4	44.7 Å²	44.7	4%	0.041	25%	0.25	C	C	.	.	S	Bend	trans	87.8	23.2	174.5	0	0	0	0	0	114.8	P127 V151 H152	P127-G129 VanDerWaalsContact C-N 3.3Å; P127-G129 PolarHBondContact O-N 3.15Å; G129-V151 CarbonylContact O-C 3.49Å; G129-V151 WeakPolarHBondContact O-CA 3.3Å; G129-H152 VanDerWaalsContact CA-O 3.27Å; G129-H152 WeakPolarHBondContact CA-O 3.29Å; G129-H152 PolarHBondContact O-N 3.11Å
130	Y	95.2	Very high	84.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	155.9	-178.2	52.2	-96.5	0	0	0	115.5	V120 A128 W149 N150 L194 L195	V120-Y130 HydrophobicContact CB-CD2 3.73Å; V120-Y130 HydrophobicContact CB-CE2 3.41Å; V120-Y130 VanDerWaalsContact CB-CE2 3.41Å; V120-Y130 HydrophobicContact CG1-CD2 4.31Å; V120-Y130 HydrophobicContact CG1-CE2 3.52Å; V120-Y130 HydrophobicContact CG2-CD2 4.31Å; V120-Y130 HydrophobicContact CG2-CE2 4.32Å; V120-Y130 PolarHBondContact N-O 2.99Å; A128-Y130 HydrophobicContact CB-CD1 3.98Å; A128-Y130 HydrophobicContact CB-CE1 3.22Å; A128-Y130 HydrophobicContact CB-CE2 4.45Å; A128-Y130 VanDerWaalsContact CB-CZ 3.49Å; A128-Y130 WeakPolarHBondContact O-CD1 3.32Å; A128-Y130 VanDerWaalsContact O-CE1 3.29Å; A128-Y130 WeakPolarHBondContact O-CE1 3.19Å; Y130-W149 HydrophobicContact CD2-CE3 4.12Å; Y130-W149 AromaticContact CD2-CZ3 3.64Å; Y130-W149 HydrophobicContact CD2-CZ3 3.64Å; Y130-W149 AromaticContact CE2-CZ3 3.98Å; Y130-W149 HydrophobicContact CE2-CZ3 3.98Å; Y130-N150 WeakPolarHBondContact CA-O 3.17Å; Y130-N150 VanDerWaalsContact CB-O 3.31Å; Y130-N150 WeakPolarHBondContact CB-O 3.41Å; Y130-L194 WeakPolarHBondContact OH-CB 3.47Å; Y130-L195 HydrophobicContact CD1-CB 4.01Å; Y130-L195 HydrophobicContact CD1-CD1 3.86Å; Y130-L195 HydrophobicContact CD1-CG 4.33Å; Y130-L195 HydrophobicContact CD2-CD1 4.24Å; Y130-L195 HydrophobicContact CD2-CG 4.38Å; Y130-L195 HydrophobicContact CE1-CB 3.65Å; Y130-L195 HydrophobicContact CE1-CD1 4.37Å; Y130-L195 HydrophobicContact CE1-CG 4.39Å; Y130-L195 HydrophobicContact CE2-CB 4.23Å; Y130-L195 HydrophobicContact CE2-CG 4.39Å; Y130-L195 HydrophobicContact CG-CB 4.48Å; Y130-L195 HydrophobicContact CG-CD1 3.8Å; Y130-L195 HydrophobicContact CG-CG 4.36Å; Y130-L195 PolarHBondContact OH-N 2.68Å
131	M	95.5	Very high	84.6	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	166.6	170.9	74.4	172.6	-56.7	0	0	111.2	A96 V105 I107 S117 W149 N150	A96-M131 HydrophobicContact CB-CE 3.95Å; V105-M131 HydrophobicContact CB-CG 4.3Å; V105-M131 HydrophobicContact CB-SD 4.46Å; V105-M131 HydrophobicContact CG2-CB 4.04Å; V105-M131 HydrophobicContact CG2-CG 3.8Å; V105-M131 HydrophobicContact CG2-SD 4.09Å; I107-M131 HydrophobicContact CD1-CE 4.31Å; I107-M131 HydrophobicContact CD1-CG 3.91Å; I107-M131 HydrophobicContact CD1-SD 4.18Å; I107-M131 HydrophobicContact CG1-CG 4.28Å; I107-M131 HydrophobicContact CG1-SD 4.15Å; S117-M131 WeakPolarHBondContact O-CE 3.43Å; S117-M131 WeakPolarHBondContact OG-CA 3.18Å; M131-W149 WeakPolarHBondContact O-CA 3.47Å; M131-N150 HydrophobicContact CG-CB 4.21Å; M131-N150 PolarHBondContact N-O 2.93Å; M131-N150 PolarHBondContact O-N 3.16Å
132	W	97.1	Very high	85.1	Confident	42 Å²	42	51 Å²	51	16%	0.159	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	156.7	173.9	62.2	-98.4	0	0	0	113.3	W116 S117 H134 F148 W149 A200 H204	W116-W132 CarbonylContact C-O 3.57Å; W116-W132 WeakPolarHBondContact CA-O 3.41Å; W116-W132 WeakPolarHBondContact CB-O 3.41Å; S117-W132 PolarHBondContact N-O 3.1Å; S117-W132 PolarHBondContact OG-N 3.49Å; W132-H134 HydrophobicContact CZ3-CB 4.43Å; W132-F148 CarbonylContact C-O 3.54Å; W132-F148 WeakPolarHBondContact CA-O 3.4Å; W132-F148 WeakPolarHBondContact CB-O 3.29Å; W132-W149 HydrophobicContact CB-CD2 3.62Å; W132-W149 HydrophobicContact CB-CE3 4.07Å; W132-W149 HydrophobicContact CB-CG 3.93Å; W132-W149 HydrophobicContact CB-CH2 4.39Å; W132-W149 HydrophobicContact CB-CZ2 3.95Å; W132-W149 HydrophobicContact CB-CZ3 4.44Å; W132-W149 AromaticContact CD1-CE2 4Å; W132-W149 AromaticContact CD1-CH2 3.39Å; W132-W149 AromaticContact CD1-CZ2 3.46Å; W132-W149 VanDerWaalsContact CD1-CZ2 3.46Å; W132-W149 AromaticContact CD1-CZ3 3.84Å; W132-W149 HydrophobicContact CG-CD2 4.36Å; W132-W149 AromaticContact CG-CE2 3.94Å; W132-W149 HydrophobicContact CG-CH2 4.14Å; W132-W149 AromaticContact CG-CZ2 3.81Å; W132-W149 HydrophobicContact CG-CZ2 3.81Å; W132-A200 HydrophobicContact CZ2-CB 4.48Å; W132-H204 AromaticContact CD2-CE1 3.65Å; W132-H204 AromaticContact CE3-CE1 3.73Å
133	A	97.7	Very high	85.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	138.7	170.5	0	0	0	0	0	110.9	I107 I113 S115 W116 I135 F148	I107-A133 HydrophobicContact CD1-CB 3.67Å; I107-A133 HydrophobicContact CG2-CB 4.23Å; I113-A133 HydrophobicContact CG2-CB 4.34Å; S115-A133 CarbonylContact O-C 3.49Å; S115-A133 WeakPolarHBondContact O-CA 3.47Å; W116-A133 HydrophobicContact CB-CB 4.06Å; A133-I135 HydrophobicContact CB-CD1 4.13Å; A133-I135 HydrophobicContact CB-CG1 3.94Å; A133-F148 PolarHBondContact N-O 2.93Å; A133-F148 PolarHBondContact O-N 3.26Å
134	H	97.7	Very high	86.8	Confident	30 Å²	30	51.5 Å²	51.5	14%	0.139	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.4	167.2	-169.5	69.3	0	0	0	108.7	V114 S115 W132 L145 V146 N147	V114-H134 WeakPolarHBondContact CB-O 3.46Å; V114-H134 PolarHBondContact N-O 2.77Å; S115-H134 PolarHBondContact O-N 3.13Å; S115-H134 WeakPolarHBondContact OG-CB 3.48Å; W132-H134 HydrophobicContact CZ3-CB 4.43Å; H134-L145 WeakPolarHBondContact NE2-CD1 3.28Å; H134-L145 WeakPolarHBondContact NE2-CD2 3.3Å; H134-V146 WeakPolarHBondContact CA-O 3.4Å; H134-N147 PolarHBondContact ND1-OD1 2.91Å
135	I	98	Very high	87.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.6	-168.2	-56.8	173.5	0	0	0	109.9	I70 I107 T109 H111 A133 I137 L145 V146 F148	I70-I135 HydrophobicContact CD1-CD1 3.81Å; I70-I135 HydrophobicContact CG1-CD1 3.87Å; I70-I135 HydrophobicContact CG2-CD1 3.83Å; I107-I135 HydrophobicContact CG2-CD1 3.99Å; T109-I135 HydrophobicContact CG2-CD1 4.3Å; T109-I135 HydrophobicContact CG2-CG2 4.2Å; H111-I135 HydrophobicContact CB-CG2 3.82Å; A133-I135 HydrophobicContact CB-CD1 4.13Å; A133-I135 HydrophobicContact CB-CG1 3.94Å; I135-I137 HydrophobicContact CG2-CD1 3.82Å; I135-L145 CarbonylContact O-C 3.57Å; I135-L145 WeakPolarHBondContact O-CA 3Å; I135-V146 PolarHBondContact N-O 2.95Å; I135-V146 PolarHBondContact O-N 3.38Å; I135-F148 HydrophobicContact CD1-CB 4.14Å
136	R	96.3	Very high	88.8	Confident	98 Å²	98	45.7 Å²	45.7	37%	0.37	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	109.7	171.2	179.9	-180	-68	173.2	-0.6	110.2	H111 K112 V114 S138 H143 Y144 L145	H111-R136 WeakPolarHBondContact CB-O 3.35Å; K112-R136 HydrophobicContact CB-CB 4.46Å; K112-R136 PolarHBondContact N-O 3.4Å; K112-R136 PolarHBondContact O-N 2.89Å; V114-R136 HydrophobicContact CG2-CB 3.98Å; R136-S138 PolarHBondContact O-N 3.21Å; R136-S138 VanDerWaalsContact O-N 3.09Å; R136-S138 PolarHBondContact O-OG 3.01Å; R136-H143 HydrophobicContact CG-CB 4.2Å; R136-Y144 CarbonylContact C-O 3.59Å; R136-Y144 WeakPolarHBondContact CA-O 3.39Å; R136-L145 HydrophobicContact CB-CD2 3.82Å; R136-L145 HydrophobicContact CG-CD2 4.26Å
137	I	93.6	Very high	89.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.			trans	-77.5	92	177.8	-49.5	-61.1	0	0	0	110	I38 I70 H111 I135 R139 L140 Y144 V146	I38-I137 HydrophobicContact CD1-CG1 4.34Å; I70-I137 HydrophobicContact CD1-CD1 4.06Å; I70-I137 HydrophobicContact CG1-CD1 4.27Å; H111-I137 HydrophobicContact CB-CD1 4.21Å; I135-I137 HydrophobicContact CG2-CD1 3.82Å; I137-R139 HydrophobicContact CG2-CG 4.31Å; I137-R139 PolarHBondContact O-N 2.72Å; I137-L140 HydrophobicContact CB-CD1 4.04Å; I137-L140 HydrophobicContact CB-CG 4.49Å; I137-L140 HydrophobicContact CG2-CB 4.41Å; I137-L140 HydrophobicContact CG2-CD1 3.51Å; I137-L140 HydrophobicContact CG2-CG 3.66Å; I137-Y144 PolarHBondContact N-O 2.93Å; I137-V146 HydrophobicContact CD1-CG2 4.39Å; I137-V146 HydrophobicContact CG1-CG2 3.8Å
138	S	86.1	Confident	90.7	Very high	53 Å²	53	36.8 Å²	36.8	37%	0.371	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-23.3	-169.8	-57.6	0	0	0	0	114.4	H111 R136 L140	H111-S138 PolarHBondContact ND1-N 2.79Å; R136-S138 PolarHBondContact O-N 3.21Å; R136-S138 VanDerWaalsContact O-N 3.09Å; R136-S138 PolarHBondContact O-OG 3.01Å; S138-L140 VanDerWaalsContact C-N 3.25Å; S138-L140 PolarHBondContact O-N 2.85Å
139	R	84.4	Confident	91.3	Very high	104 Å²	104	36.8 Å²	36.8	39%	0.392	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-13.8	-178.2	77.7	177.4	177	75.7	-6.5	114.2	S37 D69 I137	S37-R139 VanDerWaalsContact O-CZ 3.3Å; S37-R139 PolarHBondContact O-NH1 2.78Å; S37-R139 PolarHBondContact O-NH2 2.8Å; D69-R139 IonicContact OD1-CZ 3.46Å; D69-R139 IonicContact OD1-NE 2.73Å; D69-R139 PolarHBondContact OD1-NE 3.23Å; D69-R139 IonicContact OD1-NH2 3.31Å; D69-R139 PolarHBondContact OD1-NH2 2.77Å; D69-R139 IonicContact OD2-CZ 3.59Å; D69-R139 IonicContact OD2-NE 3.67Å; D69-R139 IonicContact OD2-NH2 2.69Å; D69-R139 PolarHBondContact OD2-NH2 2.81Å; I137-R139 HydrophobicContact CG2-CG 4.31Å; I137-R139 PolarHBondContact O-N 2.72Å
140	L	81.2	Confident	91.6	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	18%	0.183	C	C	.	.	S	Bend	trans	-91.6	145.2	-178.2	-64.4	176.2	0	0	0	110.1	I38 I137 S138 G142 H143 Y144 W303	I38-L140 HydrophobicContact CD1-CD1 4.19Å; I38-L140 HydrophobicContact CG1-CD1 3.73Å; I137-L140 HydrophobicContact CB-CD1 4.04Å; I137-L140 HydrophobicContact CB-CG 4.49Å; I137-L140 HydrophobicContact CG2-CB 4.41Å; I137-L140 HydrophobicContact CG2-CD1 3.51Å; I137-L140 HydrophobicContact CG2-CG 3.66Å; S138-L140 VanDerWaalsContact C-N 3.25Å; S138-L140 PolarHBondContact O-N 2.85Å; L140-G142 PolarHBondContact O-N 3.06Å; L140-H143 PolarHBondContact O-CD2 2.9Å; L140-H143 PolarHBondContact O-N 3.2Å; L140-Y144 HydrophobicContact CB-CD2 3.74Å; L140-Y144 HydrophobicContact CB-CE2 4.16Å; L140-Y144 HydrophobicContact CD1-CD2 3.82Å; L140-Y144 HydrophobicContact CG-CD2 4.46Å; L140-W303 HydrophobicContact CD1-CH2 3.64Å; L140-W303 HydrophobicContact CD1-CZ2 4.13Å
141	E	72.4	Confident	91.7	Very high	143 Å²	143	36.6 Å²	36.6	67%	0.668	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	126.8	174.3	-172.1	174.3	-171.3	0	0	109.4	Q36 Y144	Q36-E141 VanDerWaalsContact NE2-CB 3.3Å; E141-Y144 WeakPolarHBondContact O-CE2 3.45Å
142	G	74.4	Confident	91.8	Very high	67 Å²	67	37.3 Å²	37.3	69%	0.691	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	90	-4.1	-175.4	0	0	0	0	0	115.7	L140 Y144	L140-G142 PolarHBondContact O-N 3.06Å; G142-Y144 PolarHBondContact O-N 2.78Å
143	H	79.3	Confident	91.8	Very high	106 Å²	106	35.5 Å²	35.5	49%	0.491	18%	0.18	S	C	.	.			trans	53.2	56.4	172.4	-59.3	-171	0	0	0	113.1	R136 L140	R136-H143 HydrophobicContact CG-CB 4.2Å; L140-H143 PolarHBondContact O-CD2 2.9Å; L140-H143 PolarHBondContact O-N 3.2Å
144	Y	88.6	Confident	91.8	Very high	67 Å²	67	36 Å²	36	26%	0.263	18%	0.182	S	C	.	.			trans	-55.3	142.6	-174.2	-65.5	-81.5	0	0	0	113.4	R136 I137 L140 E141 G142 W303 N341	R136-Y144 CarbonylContact C-O 3.59Å; R136-Y144 WeakPolarHBondContact CA-O 3.39Å; I137-Y144 PolarHBondContact N-O 2.93Å; L140-Y144 HydrophobicContact CB-CD2 3.74Å; L140-Y144 HydrophobicContact CB-CE2 4.16Å; L140-Y144 HydrophobicContact CD1-CD2 3.82Å; L140-Y144 HydrophobicContact CG-CD2 4.46Å; E141-Y144 WeakPolarHBondContact O-CE2 3.45Å; G142-Y144 PolarHBondContact O-N 2.78Å; Y144-W303 HydrophobicContact CD1-CZ2 4.31Å; Y144-W303 AromaticContact CD2-CZ2 3.89Å; Y144-W303 HydrophobicContact CD2-CZ2 3.89Å; Y144-W303 HydrophobicContact CE2-CZ2 4.16Å; Y144-W303 AromaticContact CG-CZ2 3.97Å; Y144-W303 HydrophobicContact CG-CZ2 3.97Å; Y144-N341 PolarHBondContact OH-ND2 3Å
145	L	95.6	Very high	91.7	Very high	56 Å²	56	42.7 Å²	42.7	29%	0.293	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	147.8	168.3	-65.5	171	0	0	0	109.9	V114 H134 I135 R136 V211 P212	V114-L145 HydrophobicContact CG2-CD2 4.38Å; H134-L145 WeakPolarHBondContact NE2-CD1 3.28Å; H134-L145 WeakPolarHBondContact NE2-CD2 3.3Å; I135-L145 CarbonylContact O-C 3.57Å; I135-L145 WeakPolarHBondContact O-CA 3Å; R136-L145 HydrophobicContact CB-CD2 3.82Å; R136-L145 HydrophobicContact CG-CD2 4.26Å; L145-V211 HydrophobicContact CB-CG1 4.14Å; L145-V211 HydrophobicContact CB-CG2 4.27Å; L145-P212 WeakPolarHBondContact O-CD 3.46Å
146	V	97.4	Very high	91.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.9	177	173.1	0	0	0	0	109	I38 I70 H134 I135 I137 F148 P212 F214	I38-V146 HydrophobicContact CD1-CG2 3.9Å; I70-V146 HydrophobicContact CD1-CG1 4.12Å; H134-V146 WeakPolarHBondContact CA-O 3.4Å; I135-V146 PolarHBondContact N-O 2.95Å; I135-V146 PolarHBondContact O-N 3.38Å; I137-V146 HydrophobicContact CD1-CG2 4.39Å; I137-V146 HydrophobicContact CG1-CG2 3.8Å; V146-F148 HydrophobicContact CG1-CB 4.31Å; V146-P212 HydrophobicContact CG2-CG 4Å; V146-F214 HydrophobicContact CG1-CD2 3.42Å; V146-F214 VanDerWaalsContact CG1-CD2 3.42Å; V146-F214 HydrophobicContact CG1-CE2 3.68Å; V146-F214 HydrophobicContact CG2-CE2 4.3Å
147	N	98.3	Very high	91.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	112.7	166.1	-69.7	-30.3	0	0	0	108	H134 H204 E207 V211 P212 L213 F214	H134-N147 PolarHBondContact ND1-OD1 2.91Å; N147-H204 HydrophobicContact CB-CB 4Å; N147-H204 VanDerWaalsContact CG-CD2 3.43Å; N147-H204 PolarHBondContact ND2-CD2 2.92Å; N147-E207 PolarHBondContact ND2-OE2 3.14Å; N147-V211 HydrophobicContact CB-CG1 4.32Å; N147-V211 WeakPolarHBondContact ND2-CG1 3.23Å; N147-P212 PolarHBondContact N-O 3.35Å; N147-L213 HydrophobicContact CB-CD1 3.91Å; N147-L213 WeakPolarHBondContact O-CA 3.26Å; N147-F214 PolarHBondContact O-N 3.07Å
148	F	98.6	Very high	91.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127	-175.3	-171.6	-99	0	0	0	111.2	I40 I70 A72 I107 W132 A133 I135 V146 F214 A216	I40-F148 HydrophobicContact CD1-CD2 4.36Å; I40-F148 HydrophobicContact CD1-CE2 4.12Å; I40-F148 HydrophobicContact CG1-CE2 4.37Å; I40-F148 HydrophobicContact CG2-CE2 3.54Å; I40-F148 HydrophobicContact CG2-CZ 4Å; I70-F148 HydrophobicContact CB-CD2 4.48Å; I70-F148 HydrophobicContact CB-CE2 4.44Å; I70-F148 HydrophobicContact CD1-CB 4.47Å; I70-F148 HydrophobicContact CD1-CD2 4.14Å; I70-F148 HydrophobicContact CD1-CG 4.38Å; I70-F148 HydrophobicContact CG2-CD1 3.58Å; I70-F148 HydrophobicContact CG2-CD2 3.87Å; I70-F148 HydrophobicContact CG2-CE1 3.55Å; I70-F148 HydrophobicContact CG2-CE2 3.89Å; I70-F148 HydrophobicContact CG2-CG 3.74Å; I70-F148 HydrophobicContact CG2-CZ 3.72Å; A72-F148 HydrophobicContact CB-CE1 3.81Å; A72-F148 HydrophobicContact CB-CZ 3.76Å; I107-F148 HydrophobicContact CD1-CD1 3.84Å; I107-F148 HydrophobicContact CD1-CE1 4.43Å; I107-F148 HydrophobicContact CG1-CD1 3.93Å; I107-F148 HydrophobicContact CG1-CE1 4.07Å; I107-F148 HydrophobicContact CG2-CD1 3.82Å; I107-F148 HydrophobicContact CG2-CE1 4.14Å; W132-F148 CarbonylContact C-O 3.54Å; W132-F148 WeakPolarHBondContact CA-O 3.4Å; W132-F148 WeakPolarHBondContact CB-O 3.29Å; A133-F148 PolarHBondContact N-O 2.93Å; A133-F148 PolarHBondContact O-N 3.26Å; I135-F148 HydrophobicContact CD1-CB 4.14Å; V146-F148 HydrophobicContact CG1-CB 4.31Å; F148-F214 HydrophobicContact CD2-CB 3.82Å; F148-F214 HydrophobicContact CE2-CB 4.18Å; F148-A216 HydrophobicContact CE2-CB 4.1Å; F148-A216 HydrophobicContact CZ-CB 3.84Å
149	W	98.4	Very high	92.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.8	177.2	-70.7	68.4	0	0	0	110.5	Y130 M131 W132 L195 A200 F201 H204 L213 F214 L215 A216	Y130-W149 HydrophobicContact CD2-CE3 4.12Å; Y130-W149 AromaticContact CD2-CZ3 3.64Å; Y130-W149 HydrophobicContact CD2-CZ3 3.64Å; Y130-W149 AromaticContact CE2-CZ3 3.98Å; Y130-W149 HydrophobicContact CE2-CZ3 3.98Å; M131-W149 WeakPolarHBondContact O-CA 3.47Å; W132-W149 HydrophobicContact CB-CD2 3.62Å; W132-W149 HydrophobicContact CB-CE3 4.07Å; W132-W149 HydrophobicContact CB-CG 3.93Å; W132-W149 HydrophobicContact CB-CH2 4.39Å; W132-W149 HydrophobicContact CB-CZ2 3.95Å; W132-W149 HydrophobicContact CB-CZ3 4.44Å; W132-W149 AromaticContact CD1-CE2 4Å; W132-W149 AromaticContact CD1-CH2 3.39Å; W132-W149 AromaticContact CD1-CZ2 3.46Å; W132-W149 VanDerWaalsContact CD1-CZ2 3.46Å; W132-W149 AromaticContact CD1-CZ3 3.84Å; W132-W149 HydrophobicContact CG-CD2 4.36Å; W132-W149 AromaticContact CG-CE2 3.94Å; W132-W149 HydrophobicContact CG-CH2 4.14Å; W132-W149 AromaticContact CG-CZ2 3.81Å; W132-W149 HydrophobicContact CG-CZ2 3.81Å; W149-L195 HydrophobicContact CE3-CD1 4.15Å; W149-L195 HydrophobicContact CE3-CG 4.2Å; W149-L195 HydrophobicContact CZ3-CG 4.18Å; W149-A200 HydrophobicContact CH2-CB 4.05Å; W149-A200 HydrophobicContact CZ2-CB 4.01Å; W149-F201 AromaticContact CD2-CD2 3.83Å; W149-F201 HydrophobicContact CD2-CD2 3.83Å; W149-F201 HydrophobicContact CD2-CE2 4.48Å; W149-F201 AromaticContact CE2-CD2 3.64Å; W149-F201 HydrophobicContact CE3-CD2 4.2Å; W149-F201 HydrophobicContact CG-CD2 4.33Å; W149-F201 HydrophobicContact CH2-CB 3.67Å; W149-F201 HydrophobicContact CH2-CD2 4.23Å; W149-F201 HydrophobicContact CH2-CG 4.47Å; W149-F201 VanDerWaalsContact CZ2-CA 3.43Å; W149-F201 HydrophobicContact CZ2-CB 3.65Å; W149-F201 AromaticContact CZ2-CD2 3.89Å; W149-F201 HydrophobicContact CZ2-CD2 3.89Å; W149-F201 HydrophobicContact CZ2-CG 4.27Å; W149-F201 HydrophobicContact CZ3-CB 4.36Å; W149-F201 HydrophobicContact CZ3-CD2 4.37Å; W149-F201 AromaticContact NE1-CD2 3.97Å; W149-H204 AromaticContact CE2-ND1 3.62Å; W149-H204 AromaticContact CZ2-ND1 3.51Å; W149-H204 AromaticContact NE1-ND1 3.19Å; W149-H204 PolarHBondContact NE1-ND1 2.81Å; W149-H204 VanDerWaalsContact NE1-ND1 3.19Å; W149-L213 HydrophobicContact CG-CD1 4.46Å; W149-F214 PolarHBondContact N-O 3.38Å; W149-L215 HydrophobicContact CB-CB 4.15Å; W149-L215 HydrophobicContact CB-CD1 4.39Å; W149-L215 HydrophobicContact CB-CG 4.18Å; W149-L215 WeakPolarHBondContact O-CA 3.28Å; W149-A216 PolarHBondContact O-N 2.96Å
150	N	98.2	Very high	92.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.2	170.5	-178	7	0	0	0	109.3	A72 L73 Q74 A106 I107 Y130 M131 A216	A72-N150 HydrophobicContact CB-CB 4.01Å; L73-N150 PolarHBondContact N-ND2 2.87Å; L73-N150 PolarHBondContact O-ND2 3.11Å; Q74-N150 PolarHBondContact NE2-OD1 3.31Å; A106-N150 PolarHBondContact N-ND2 2.91Å; A106-N150 PolarHBondContact O-ND2 2.85Å; I107-N150 HydrophobicContact CD1-CB 4.18Å; I107-N150 HydrophobicContact CG1-CB 3.83Å; Y130-N150 WeakPolarHBondContact CA-O 3.17Å; Y130-N150 VanDerWaalsContact CB-O 3.31Å; Y130-N150 WeakPolarHBondContact CB-O 3.41Å; M131-N150 HydrophobicContact CG-CB 4.21Å; M131-N150 PolarHBondContact N-O 2.93Å; M131-N150 PolarHBondContact O-N 3.16Å; N150-A216 CarbonylContact C-O 3.54Å; N150-A216 VanDerWaalsContact CA-O 3.27Å; N150-A216 WeakPolarHBondContact CA-O 3.25Å
151	V	97.7	Very high	93.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143	176.5	-59.1	0	0	0	0	111.3	Q74 G129 L153 L195 L215 A216 G217 D218 L219	Q74-V151 WeakPolarHBondContact CG-O 3.49Å; G129-V151 CarbonylContact O-C 3.49Å; G129-V151 WeakPolarHBondContact O-CA 3.3Å; V151-L153 HydrophobicContact CB-CD2 4.16Å; V151-L153 HydrophobicContact CB-CG 4.43Å; V151-L195 HydrophobicContact CG1-CD1 3.55Å; V151-L215 HydrophobicContact CG1-CD1 4.12Å; V151-L215 HydrophobicContact CG1-CD2 4.23Å; V151-L215 HydrophobicContact CG1-CG 4.1Å; V151-L215 HydrophobicContact CG2-CD2 4.11Å; V151-A216 PolarHBondContact N-O 2.81Å; V151-G217 WeakPolarHBondContact O-CA 3.37Å; V151-D218 PolarHBondContact O-N 3.02Å; V151-D218 VanDerWaalsContact O-N 3.14Å; V151-L219 HydrophobicContact CG2-CD1 3.81Å; V151-L219 HydrophobicContact CG2-CG 4.3Å
152	H	97.4	Very high	94.8	Very high	15 Å²	15	37.8 Å²	37.8	7%	0.069	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	101.4	162	-174.7	-150.2	0	0	0	107.1	Q74 D104 V105 G129 D218	Q74-H152 HydrophobicContact CB-CB 3.98Å; Q74-H152 HydrophobicContact CG-CB 3.75Å; D104-H152 IonicContact OD1-CE1 2.92Å; D104-H152 IonicContact OD1-ND1 3.87Å; D104-H152 PolarHBondContact OD1-ND1 2.91Å; D104-H152 IonicContact OD2-CE1 3.11Å; D104-H152 IonicContact OD2-CG 3.96Å; D104-H152 IonicContact OD2-ND1 3.27Å; D104-H152 PolarHBondContact OD2-ND1 2.84Å; V105-H152 HydrophobicContact CG1-CB 3.63Å; G129-H152 VanDerWaalsContact CA-O 3.27Å; G129-H152 WeakPolarHBondContact CA-O 3.29Å; G129-H152 PolarHBondContact O-N 3.11Å; H152-D218 WeakPolarHBondContact CA-O 3.44Å; H152-D218 IonicContact CD2-OD2 3.05Å; H152-D218 IonicContact NE2-OD2 3.69Å
153	L	97.1	Very high	96	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	16%	0.155	C	C	.	.			trans	-89.5	165.9	-172.6	-55	-175.2	0	0	0	111.7	V151 W155 R188 Q191 I192 D218 L219 N220 T244	V151-L153 HydrophobicContact CB-CD2 4.16Å; V151-L153 HydrophobicContact CB-CG 4.43Å; L153-W155 PolarHBondContact O-N 2.9Å; L153-R188 HydrophobicContact CB-CB 3.81Å; L153-R188 HydrophobicContact CD1-CB 4.27Å; L153-Q191 VanDerWaalsContact CA-OE1 3.27Å; L153-Q191 HydrophobicContact CD2-CB 3.89Å; L153-I192 HydrophobicContact CD1-CD1 3.71Å; L153-I192 HydrophobicContact CD1-CG1 3.65Å; L153-I192 HydrophobicContact CD2-CD1 4.09Å; L153-D218 PolarHBondContact N-O 3.27Å; L153-L219 HydrophobicContact CD1-CB 4.08Å; L153-L219 HydrophobicContact CD1-CG 4.12Å; L153-N220 PolarHBondContact O-ND2 3.38Å; L153-T244 HydrophobicContact CD1-CG2 3.37Å
154	D	96.4	Very high	96.8	Very high	10 Å²	10	31.8 Å²	31.8	5%	0.053	15%	0.147	C	C	.	.			trans	-56.6	123.7	-178.4	-177.3	61.9	0	0	0	112.5	R156 R183 R188 N220	D154-R156 IonicContact OD1-CZ 3.21Å; D154-R156 IonicContact OD1-NE 2.81Å; D154-R156 PolarHBondContact OD1-NE 2.99Å; D154-R156 IonicContact OD1-NH2 2.74Å; D154-R156 PolarHBondContact OD1-NH2 3.44Å; D154-R156 IonicContact OD2-NE 4Å; D154-R183 IonicContact OD1-NH2 3.1Å; D154-R183 IonicContact OD2-CZ 3.29Å; D154-R183 IonicContact OD2-NH1 3.06Å; D154-R183 PolarHBondContact OD2-NH1 3.38Å; D154-R183 IonicContact OD2-NH2 2.96Å; D154-R183 PolarHBondContact OD2-NH2 2.9Å; D154-R188 HydrophobicContact CB-CB 4.34Å; D154-R188 WeakPolarHBondContact O-CD 3.33Å; D154-N220 VanDerWaalsContact O-CB 3.32Å; D154-N220 WeakPolarHBondContact O-CB 3.13Å
155	W	95.7	Very high	97.1	Very high	171 Å²	171	32.2 Å²	32.2	65%	0.648	15%	0.153	S	C	*	.			trans	-88.7	-16.9	-177.7	64.4	-94.4	0	0	0	113.7	L153 N220	L153-W155 PolarHBondContact O-N 2.9Å; W155-N220 HydrophobicContact CB-CB 4.47Å
156	R	95.5	Very high	97.1	Very high	82 Å²	82	39.1 Å²	39.1	31%	0.309	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	158.7	-178	-70	169.8	-66.4	176.3	-0.3	110.6	D154 Y158 D185	D154-R156 IonicContact OD1-CZ 3.21Å; D154-R156 IonicContact OD1-NE 2.81Å; D154-R156 PolarHBondContact OD1-NE 2.99Å; D154-R156 IonicContact OD1-NH2 2.74Å; D154-R156 PolarHBondContact OD1-NH2 3.44Å; D154-R156 IonicContact OD2-NE 4Å; R156-Y158 PolarHBondContact O-N 3.35Å; R156-D185 IonicContact CZ-OD1 4Å; R156-D185 IonicContact CZ-OD2 3.11Å; R156-D185 IonicContact NH1-OD1 3.71Å; R156-D185 IonicContact NH1-OD2 2.69Å; R156-D185 PolarHBondContact NH1-OD2 2.87Å; R156-D185 VanDerWaalsContact NH2-CG 3.32Å; R156-D185 IonicContact NH2-OD1 3.61Å; R156-D185 IonicContact NH2-OD2 2.67Å; R156-D185 PolarHBondContact NH2-OD2 2.86Å
157	D	95.4	Very high	97	Very high	91 Å²	91	45.9 Å²	45.9	49%	0.487	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	40.5	178.6	-52.1	-43.8	0	0	0	112.5	G159 R183	D157-G159 PolarHBondContact O-N 2.83Å; D157-G159 VanDerWaalsContact O-N 3.14Å; D157-R183 IonicContact OD2-CZ 2.79Å; D157-R183 IonicContact OD2-NH1 2.75Å; D157-R183 PolarHBondContact OD2-NH1 2.99Å
158	Y	96.8	Very high	97	Very high	12 Å²	12	46.8 Å²	46.8	5%	0.047	22%	0.222	C	C	.	.			trans	-52.3	118.1	-173.9	-175.8	-126.3	0	0	0	111.9	R156 P160 Y161 N220 E291 I293	R156-Y158 PolarHBondContact O-N 3.35Å; Y158-P160 HydrophobicContact CD1-CB 4.14Å; Y158-P160 HydrophobicContact CD1-CG 4.14Å; Y158-P160 HydrophobicContact CE1-CB 3.74Å; Y158-P160 HydrophobicContact CE1-CG 3.59Å; Y158-P160 HydrophobicContact CE2-CG 4.06Å; Y158-Y161 HydrophobicContact CD1-CD1 4Å; Y158-Y161 AromaticContact CD1-CD2 3.98Å; Y158-Y161 HydrophobicContact CD1-CD2 3.98Å; Y158-Y161 AromaticContact CD1-CE1 3.92Å; Y158-Y161 HydrophobicContact CD1-CE1 3.92Å; Y158-Y161 AromaticContact CD1-CE2 3.87Å; Y158-Y161 HydrophobicContact CD1-CE2 3.87Å; Y158-Y161 HydrophobicContact CD1-CG 4.03Å; Y158-Y161 AromaticContact CD1-CZ 3.84Å; Y158-Y161 HydrophobicContact CE1-CE1 4.46Å; Y158-Y161 HydrophobicContact CG-CD2 4.33Å; Y158-Y161 HydrophobicContact CG-CE2 4.32Å; Y158-Y161 WeakPolarHBondContact O-CB 3.39Å; Y158-Y161 PolarHBondContact O-N 2.74Å; Y158-N220 WeakPolarHBondContact CD2-O 3.3Å; Y158-N220 WeakPolarHBondContact CE2-O 3.33Å; Y158-E291 WeakPolarHBondContact OH-CB 3.35Å; Y158-E291 WeakPolarHBondContact OH-CG 3.44Å; Y158-I293 HydrophobicContact CE2-CG2 4.27Å; Y158-I293 WeakPolarHBondContact OH-CG2 3.44Å
159	G	98	Very high	96.9	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-55.3	-43.3	-168.1	0	0	0	0	0	115.2	D157 Y161 A162 A163 E178 W242	D157-G159 PolarHBondContact O-N 2.83Å; D157-G159 VanDerWaalsContact O-N 3.14Å; G159-Y161 VanDerWaalsContact C-N 3.25Å; G159-Y161 PolarHBondContact O-N 3.31Å; G159-A162 WeakPolarHBondContact O-CA 3.48Å; G159-A162 WeakPolarHBondContact O-CB 3.39Å; G159-A162 PolarHBondContact O-N 3.18Å; G159-A163 PolarHBondContact O-N 3.33Å; G159-E178 WeakPolarHBondContact CA-OE1 3.5Å; G159-W242 VanDerWaalsContact C-CH2 3.43Å
160	P	98	Very high	96.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-33.1	175.9	-31.4	39.2	0	0	0	114.3	Y158 A163 C164 P222 W227 W242 P289 E291	Y158-P160 HydrophobicContact CD1-CB 4.14Å; Y158-P160 HydrophobicContact CD1-CG 4.14Å; Y158-P160 HydrophobicContact CE1-CB 3.74Å; Y158-P160 HydrophobicContact CE1-CG 3.59Å; Y158-P160 HydrophobicContact CE2-CG 4.06Å; P160-A163 PolarHBondContact O-N 3.15Å; P160-C164 WeakPolarHBondContact O-CB 3.43Å; P160-C164 PolarHBondContact O-N 3.21Å; P160-C164 PolarHBondContact O-SG 2.95Å; P160-P222 HydrophobicContact CG-CG 3.55Å; P160-W227 HydrophobicContact CB-CH2 4.27Å; P160-W227 HydrophobicContact CB-CZ2 4.11Å; P160-W227 HydrophobicContact CG-CH2 4.45Å; P160-W227 HydrophobicContact CG-CZ2 4Å; P160-W242 HydrophobicContact CG-CH2 4.17Å; P160-W242 HydrophobicContact CG-CZ2 4.13Å; P160-P289 HydrophobicContact CB-CB 3.74Å; P160-P289 HydrophobicContact CB-CG 4.02Å; P160-E291 HydrophobicContact CB-CG 4.5Å; P160-E291 HydrophobicContact CG-CG 4.02Å
161	Y	97.2	Very high	96.9	Very high	86 Å²	86	59.4 Å²	59.4	34%	0.337	29%	0.292	S	S	.	.	H	α-helix	trans	-64.5	-42.1	173.3	-60.8	-29.1	0	0	0	111.4	Y158 G159 N165 Q279 E288 P289	Y158-Y161 HydrophobicContact CD1-CD1 4Å; Y158-Y161 AromaticContact CD1-CD2 3.98Å; Y158-Y161 HydrophobicContact CD1-CD2 3.98Å; Y158-Y161 AromaticContact CD1-CE1 3.92Å; Y158-Y161 HydrophobicContact CD1-CE1 3.92Å; Y158-Y161 AromaticContact CD1-CE2 3.87Å; Y158-Y161 HydrophobicContact CD1-CE2 3.87Å; Y158-Y161 HydrophobicContact CD1-CG 4.03Å; Y158-Y161 AromaticContact CD1-CZ 3.84Å; Y158-Y161 HydrophobicContact CE1-CE1 4.46Å; Y158-Y161 HydrophobicContact CG-CD2 4.33Å; Y158-Y161 HydrophobicContact CG-CE2 4.32Å; Y158-Y161 WeakPolarHBondContact O-CB 3.39Å; Y158-Y161 PolarHBondContact O-N 2.74Å; G159-Y161 VanDerWaalsContact C-N 3.25Å; G159-Y161 PolarHBondContact O-N 3.31Å; Y161-N165 WeakPolarHBondContact O-CB 3.46Å; Y161-N165 PolarHBondContact O-N 2.63Å; Y161-N165 VanDerWaalsContact O-N 3.15Å; Y161-Q279 HydrophobicContact CD1-CG 4.44Å; Y161-Q279 HydrophobicContact CE1-CG 3.99Å; Y161-E288 WeakPolarHBondContact CE1-OE1 3.21Å; Y161-E288 PolarHBondContact OH-OE1 3.02Å; Y161-E288 PolarHBondContact OH-OE2 3.01Å; Y161-P289 HydrophobicContact CD1-CG 3.97Å; Y161-P289 HydrophobicContact CE1-CG 4.16Å
162	A	97.5	Very high	96.9	Very high	26 Å²	26	65.6 Å²	65.6	22%	0.215	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-47	175	0	0	0	0	0	111.2	G159 C164 N165 V168 I174	G159-A162 WeakPolarHBondContact O-CA 3.48Å; G159-A162 WeakPolarHBondContact O-CB 3.39Å; G159-A162 PolarHBondContact O-N 3.18Å; A162-C164 VanDerWaalsContact C-N 3.29Å; A162-C164 PolarHBondContact O-N 2.79Å; A162-N165 WeakPolarHBondContact O-CB 3.49Å; A162-N165 PolarHBondContact O-N 3.33Å; A162-N165 VanDerWaalsContact O-N 3.11Å; A162-V168 HydrophobicContact CB-CG2 4.43Å; A162-V168 WeakPolarHBondContact O-CB 3.48Å; A162-V168 VanDerWaalsContact O-CG2 3.26Å; A162-V168 WeakPolarHBondContact O-CG2 3.5Å; A162-I174 HydrophobicContact CB-CG1 4.26Å
163	A	98.1	Very high	96.9	Very high	3 Å²	3	68.9 Å²	68.9	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-59.3	-38.1	179.6	0	0	0	0	0	113	G159 P160 I174 W227 W238	G159-A163 PolarHBondContact O-N 3.33Å; P160-A163 PolarHBondContact O-N 3.15Å; A163-I174 HydrophobicContact CB-CD1 3.87Å; A163-W227 HydrophobicContact CB-CH2 3.71Å; A163-W227 HydrophobicContact CB-CZ3 3.61Å; A163-W238 HydrophobicContact CB-CG 4.35Å; A163-W238 VanDerWaalsContact O-CD1 3.27Å; A163-W238 PolarHBondContact O-NE1 3.25Å
164	C	96.4	Very high	97	Very high	45 Å²	45	68.8 Å²	68.8	30%	0.304	34%	0.335	S	S	.	.	H	α-helix	trans	-85.8	-5.5	179.5	-63	0	0	0	0	114.2	P160 A162 K166 C236	P160-C164 WeakPolarHBondContact O-CB 3.43Å; P160-C164 PolarHBondContact O-N 3.21Å; P160-C164 PolarHBondContact O-SG 2.95Å; A162-C164 VanDerWaalsContact C-N 3.29Å; A162-C164 PolarHBondContact O-N 2.79Å; C164-K166 PolarHBondContact O-N 3.4Å; C164-C236 VanDerWaalsContact CA-SG 3.54Å; C164-C236 HydrophobicContact CB-CB 3.89Å; C164-C236 WeakPolarHBondContact CB-SG 3.32Å; C164-C236 WeakPolarHBondContact SG-CB 3.27Å; C164-C236 CovalentContact SG-SG 2.04Å; C164-C236 PolarHBondContact SG-SG 2.89Å
165	N	96.2	Very high	97.1	Very high	76 Å²	76	70.7 Å²	70.7	41%	0.406	35%	0.345	S	S	.	.			trans	-78	121.1	173.3	-173.9	-21.3	0	0	0	110.2	Y161 A162 L167 V168	Y161-N165 WeakPolarHBondContact O-CB 3.46Å; Y161-N165 PolarHBondContact O-N 2.63Å; Y161-N165 VanDerWaalsContact O-N 3.15Å; A162-N165 WeakPolarHBondContact O-CB 3.49Å; A162-N165 PolarHBondContact O-N 3.33Å; A162-N165 VanDerWaalsContact O-N 3.11Å; N165-L167 PolarHBondContact O-N 3.26Å; N165-L167 WeakPolarHBondContact OD1-CB 3.39Å; N165-L167 PolarHBondContact OD1-N 3.39Å; N165-V168 HydrophobicContact CB-CG2 4.22Å; N165-V168 WeakPolarHBondContact O-CB 3.27Å; N165-V168 PolarHBondContact O-N 3.31Å
166	K	94.2	Very high	97.2	Very high	200 Å²	200	64.4 Å²	64.4	87%	0.87	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-15.2	-179.2	-60.5	-175	-178.9	179.8	0	114.6	C164 V168	C164-K166 PolarHBondContact O-N 3.4Å; K166-V168 VanDerWaalsContact C-N 3.32Å
167	L	97	Very high	97.2	Very high	142 Å²	142	61 Å²	61	74%	0.743	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-12.2	174	-60	179.6	0	0	0	112.9	N165 Q173	N165-L167 PolarHBondContact O-N 3.26Å; N165-L167 WeakPolarHBondContact OD1-CB 3.39Å; N165-L167 PolarHBondContact OD1-N 3.39Å; L167-Q173 PolarHBondContact O-NE2 3.18Å
168	V	97.8	Very high	97.4	Very high	20 Å²	20	56.6 Å²	56.6	12%	0.121	30%	0.297	C	S	.	.			trans	-89.3	118.9	173.7	172	0	0	0	0	108.7	A162 N165 K166 Q173 I174 W238	A162-V168 HydrophobicContact CB-CG2 4.43Å; A162-V168 WeakPolarHBondContact O-CB 3.48Å; A162-V168 VanDerWaalsContact O-CG2 3.26Å; A162-V168 WeakPolarHBondContact O-CG2 3.5Å; N165-V168 HydrophobicContact CB-CG2 4.22Å; N165-V168 WeakPolarHBondContact O-CB 3.27Å; N165-V168 PolarHBondContact O-N 3.31Å; K166-V168 VanDerWaalsContact C-N 3.32Å; V168-Q173 HydrophobicContact CG1-CB 3.96Å; V168-Q173 HydrophobicContact CG2-CB 4.27Å; V168-I174 HydrophobicContact CG1-CD1 4.34Å; V168-I174 HydrophobicContact CG1-CG1 3.82Å; V168-W238 HydrophobicContact CG1-CZ2 4.13Å
169	T	96.9	Very high	97.4	Very high	101 Å²	101	60.2 Å²	60.2	62%	0.62	31%	0.31	S	S	*	.			trans	-125.1	-7.3	-175.9	55.4	0	0	0	0	112.8
170	K	97.9	Very high	97.3	Very high	131 Å²	131	60.3 Å²	60.3	57%	0.57	31%	0.311	S	S	*	.	S	Bend	trans	-134.9	144.1	-178.1	-57.7	-173.8	-179.6	179	0	111.2	E172 Q173	K170-E172 VanDerWaalsContact CB-OE2 3.3Å; K170-E172 WeakPolarHBondContact CB-OE2 3.16Å; K170-E172 PolarHBondContact O-N 3.37Å; K170-Q173 VanDerWaalsContact N-OE1 3.13Å; K170-Q173 WeakPolarHBondContact O-CB 3.29Å; K170-Q173 PolarHBondContact O-N 2.75Å; K170-Q173 VanDerWaalsContact O-N 3.12Å
171	A	97.6	Very high	97.2	Very high	33 Å²	33	65 Å²	65	27%	0.273	34%	0.34	S	S	.	.	H	α-helix	trans	-58.9	-32.9	-179.4	0	0	0	0	0	112.1	Q173 I174 D175 W238 Y240	A171-Q173 PolarHBondContact O-N 2.86Å; A171-I174 WeakPolarHBondContact O-CA 3.46Å; A171-I174 WeakPolarHBondContact O-CB 3.12Å; A171-I174 PolarHBondContact O-N 3.21Å; A171-D175 PolarHBondContact O-N 2.91Å; A171-W238 HydrophobicContact CB-CZ3 4.43Å; A171-Y240 HydrophobicContact CB-CD2 4.3Å; A171-Y240 HydrophobicContact CB-CE2 4Å
172	E	97.7	Very high	97	Very high	130 Å²	130	65 Å²	65	61%	0.607	37%	0.366	S	S	*	.	H	α-helix	trans	-62.4	-25.2	179.8	-62.5	82.2	174.8	0	0	112.9	K170 A176	K170-E172 VanDerWaalsContact CB-OE2 3.3Å; K170-E172 WeakPolarHBondContact CB-OE2 3.16Å; K170-E172 PolarHBondContact O-N 3.37Å; E172-A176 PolarHBondContact O-N 2.84Å; E172-A176 VanDerWaalsContact O-N 3.11Å
173	Q	97.8	Very high	96.8	Very high	83 Å²	83	66.2 Å²	66.2	39%	0.388	37%	0.365	S	S	.	.	H	α-helix	trans	-73.7	-32.7	174.5	-62.5	174.6	-92.3	0	0	111.6	L167 V168 K170 A171	L167-Q173 PolarHBondContact O-NE2 3.18Å; V168-Q173 HydrophobicContact CG1-CB 3.96Å; V168-Q173 HydrophobicContact CG2-CB 4.27Å; K170-Q173 VanDerWaalsContact N-OE1 3.13Å; K170-Q173 WeakPolarHBondContact O-CB 3.29Å; K170-Q173 PolarHBondContact O-N 2.75Å; K170-Q173 VanDerWaalsContact O-N 3.12Å; A171-Q173 PolarHBondContact O-N 2.86Å
174	I	98.3	Very high	96.4	Very high	1 Å²	1	71.2 Å²	71.2	1%	0.005	40%	0.397	C	S	.	.	H	α-helix	trans	-72.7	-46.2	172.9	-54.7	172	0	0	0	108.6	A162 A163 V168 A171 A176 G177 E178 W238 Y240 W242	A162-I174 HydrophobicContact CB-CG1 4.26Å; A163-I174 HydrophobicContact CB-CD1 3.87Å; V168-I174 HydrophobicContact CG1-CD1 4.34Å; V168-I174 HydrophobicContact CG1-CG1 3.82Å; A171-I174 WeakPolarHBondContact O-CA 3.46Å; A171-I174 WeakPolarHBondContact O-CB 3.12Å; A171-I174 PolarHBondContact O-N 3.21Å; I174-A176 PolarHBondContact O-N 3.19Å; I174-A176 VanDerWaalsContact O-N 3.15Å; I174-G177 PolarHBondContact O-N 3.21Å; I174-E178 HydrophobicContact CG2-CG 4.47Å; I174-E178 PolarHBondContact O-N 3Å; I174-W238 HydrophobicContact CD1-CD2 4.13Å; I174-W238 HydrophobicContact CD1-CE3 4.27Å; I174-W238 HydrophobicContact CD1-CZ2 4.43Å; I174-W238 HydrophobicContact CD1-CZ3 4.49Å; I174-Y240 HydrophobicContact CB-CE2 4.05Å; I174-Y240 HydrophobicContact CD1-CD2 4.18Å; I174-Y240 HydrophobicContact CD1-CE2 4.25Å; I174-Y240 HydrophobicContact CG2-CE1 3.98Å; I174-Y240 HydrophobicContact CG2-CE2 4.12Å; I174-W242 HydrophobicContact CG2-CH2 4.06Å; I174-W242 HydrophobicContact CG2-CZ3 3.82Å
175	D	98.2	Very high	96	Very high	50 Å²	50	70.4 Å²	70.4	27%	0.267	39%	0.39	S	S	.	.	H	α-helix	trans	-53.9	-36.2	177.5	-69.7	-34.8	0	0	0	112.2	A171 G177 E178 W179 Y240	A171-D175 PolarHBondContact O-N 2.91Å; D175-G177 PolarHBondContact O-N 2.93Å; D175-E178 PolarHBondContact O-N 3.47Å; D175-E178 VanDerWaalsContact O-N 3.15Å; D175-W179 WeakPolarHBondContact O-CB 3.27Å; D175-W179 PolarHBondContact O-N 3.29Å; D175-Y240 PolarHBondContact OD1-OH 2.76Å
176	A	97.7	Very high	95.9	Very high	39 Å²	39	68.5 Å²	68.5	32%	0.322	38%	0.378	S	S	.	.	H	α-helix	trans	-54.6	-39.6	177.8	0	0	0	0	0	112.4	E172 I174 G180 T181	E172-A176 PolarHBondContact O-N 2.84Å; E172-A176 VanDerWaalsContact O-N 3.11Å; I174-A176 PolarHBondContact O-N 3.19Å; I174-A176 VanDerWaalsContact O-N 3.15Å; A176-G180 PolarHBondContact O-N 2.98Å; A176-T181 WeakPolarHBondContact O-CB 3.45Å; A176-T181 PolarHBondContact O-N 2.92Å
177	G	97.2	Very high	96	Very high	10 Å²	10	59 Å²	59	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-73.8	-46.1	173.7	0	0	0	0	0	112.6	I174 D175 W179 G180	I174-G177 PolarHBondContact O-N 3.21Å; D175-G177 PolarHBondContact O-N 2.93Å; G177-W179 PolarHBondContact O-N 3.06Å; G177-G180 PolarHBondContact O-N 3.32Å; G177-G180 VanDerWaalsContact O-N 3.08Å
178	E	98.2	Very high	95.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-52.2	-42.5	177.5	-57.1	-52	111.8	0	0	112.9	G159 I174 D175 G187 R188 A189 Y240 W242 P243	G159-E178 WeakPolarHBondContact CA-OE1 3.5Å; I174-E178 HydrophobicContact CG2-CG 4.47Å; I174-E178 PolarHBondContact O-N 3Å; D175-E178 PolarHBondContact O-N 3.47Å; D175-E178 VanDerWaalsContact O-N 3.15Å; E178-G187 CarbonylContact O-C 3.6Å; E178-R188 PolarHBondContact O-N 3.36Å; E178-R188 IonicContact OE1-CZ 2.74Å; E178-R188 IonicContact OE1-NH1 3.23Å; E178-R188 PolarHBondContact OE1-NH1 2.72Å; E178-R188 IonicContact OE1-NH2 3.65Å; E178-R188 PolarHBondContact OE1-NH2 3.11Å; E178-R188 IonicContact OE2-CZ 2.88Å; E178-R188 IonicContact OE2-NE 3.37Å; E178-R188 PolarHBondContact OE2-NE 3.12Å; E178-R188 IonicContact OE2-NH1 3.31Å; E178-R188 PolarHBondContact OE2-NH1 3.14Å; E178-R188 IonicContact OE2-NH2 3.88Å; E178-R188 PolarHBondContact OE2-NH2 3.21Å; E178-A189 HydrophobicContact CB-CB 4.15Å; E178-A189 WeakPolarHBondContact O-CB 3.28Å; E178-A189 PolarHBondContact O-N 2.87Å; E178-Y240 WeakPolarHBondContact CG-OH 3.41Å; E178-W242 VanDerWaalsContact OE1-CZ3 3.3Å; E178-W242 WeakPolarHBondContact OE1-CZ3 3.17Å; E178-P243 HydrophobicContact CB-CG 3.69Å; E178-P243 HydrophobicContact CG-CG 3.77Å
179	W	97.5	Very high	95.9	Very high	88 Å²	88	51.3 Å²	51.3	33%	0.333	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	19.7	-176.3	-62.8	93.2	0	0	0	112.5	D175 G177 T181 A189 Q190 P243	D175-W179 WeakPolarHBondContact O-CB 3.27Å; D175-W179 PolarHBondContact O-N 3.29Å; G177-W179 PolarHBondContact O-N 3.06Å; W179-T181 PolarHBondContact O-N 2.74Å; W179-A189 HydrophobicContact CD2-CB 3.69Å; W179-A189 HydrophobicContact CE3-CB 4.01Å; W179-A189 HydrophobicContact CG-CB 4.11Å; W179-A189 HydrophobicContact CH2-CB 4.22Å; W179-A189 HydrophobicContact CZ2-CB 3.98Å; W179-A189 HydrophobicContact CZ3-CB 4.24Å; W179-Q190 VanDerWaalsContact C-CD 3.42Å; W179-Q190 HydrophobicContact CE3-CG 3.58Å; W179-Q190 HydrophobicContact CZ3-CG 4.16Å; W179-Q190 PolarHBondContact O-NE2 3.3Å; W179-Q190 PolarHBondContact O-OE1 3.06Å; W179-P243 HydrophobicContact CZ2-CB 3.95Å
180	G	95.3	Very high	95.9	Very high	2 Å²	2	49 Å²	49	2%	0.021	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	33.3	172.8	0	0	0	0	0	114.4	A176 G177 G182 R183	A176-G180 PolarHBondContact O-N 2.98Å; G177-G180 PolarHBondContact O-N 3.32Å; G177-G180 VanDerWaalsContact O-N 3.08Å; G180-G182 PolarHBondContact O-N 3.32Å; G180-R183 WeakPolarHBondContact O-CB 3.19Å; G180-R183 PolarHBondContact O-N 3.05Å
181	T	95.6	Very high	95.8	Very high	99 Å²	99	43.5 Å²	43.5	61%	0.607	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	125	-169	-65.5	0	0	0	0	110.1	A176 W179 R183	A176-T181 WeakPolarHBondContact O-CB 3.45Å; A176-T181 PolarHBondContact O-N 2.92Å; W179-T181 PolarHBondContact O-N 2.74Å; T181-R183 VanDerWaalsContact C-N 3.34Å
182	G	93.4	Very high	95.7	Very high	85 Å²	85	41.9 Å²	41.9	88%	0.876	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	86	0.7	-178.5	0	0	0	0	0	114.5	G180	G180-G182 PolarHBondContact O-N 3.32Å
183	R	92.7	Very high	95.7	Very high	53 Å²	53	37.1 Å²	37.1	20%	0.2	22%	0.222	C	C	.	.			trans	-100	151.8	172.5	-50.7	-165	-40.8	-146.8	-1	111.1	D154 D157 G180 T181 D185 F186	D154-R183 IonicContact OD1-NH2 3.1Å; D154-R183 IonicContact OD2-CZ 3.29Å; D154-R183 IonicContact OD2-NH1 3.06Å; D154-R183 PolarHBondContact OD2-NH1 3.38Å; D154-R183 IonicContact OD2-NH2 2.96Å; D154-R183 PolarHBondContact OD2-NH2 2.9Å; D157-R183 IonicContact OD2-CZ 2.79Å; D157-R183 IonicContact OD2-NH1 2.75Å; D157-R183 PolarHBondContact OD2-NH1 2.99Å; G180-R183 WeakPolarHBondContact O-CB 3.19Å; G180-R183 PolarHBondContact O-N 3.05Å; T181-R183 VanDerWaalsContact C-N 3.34Å; R183-D185 VanDerWaalsContact C-N 3.31Å; R183-D185 VanDerWaalsContact CB-OD1 3.3Å; R183-D185 WeakPolarHBondContact CB-OD1 3.44Å; R183-D185 IonicContact CZ-OD1 3.93Å; R183-D185 IonicContact NE-OD1 3.13Å; R183-D185 PolarHBondContact NE-OD1 2.75Å; R183-D185 VanDerWaalsContact NE-OD1 3.13Å; R183-D185 IonicContact NH2-OD1 2.77Å; R183-F186 PolarHBondContact NH2-O 3.32Å; R183-F186 VanDerWaalsContact NH2-O 3.1Å
184	P	89.7	Confident	95.5	Very high	108 Å²	108	34.7 Å²	34.7	70%	0.701	21%	0.211	S	C	*	.	S	Bend	trans	-76.7	-18.1	177.4	30.9	-35.7	0	0	0	113.6	W126	W126-P184 PolarHBondContact NE1-O 3.01Å
185	D	89.9	Confident	95.4	Very high	28 Å²	28	34.7 Å²	34.7	15%	0.15	21%	0.211	C	C	.	.	S	Bend	trans	-103.9	175.3	178.7	59.2	3.7	0	0	0	111.8	W126 R156 R183	W126-D185 HydrophobicContact CB-CB 4.43Å; W126-D185 HydrophobicContact CD2-CB 4.11Å; W126-D185 HydrophobicContact CG-CB 3.94Å; R156-D185 IonicContact CZ-OD1 4Å; R156-D185 IonicContact CZ-OD2 3.11Å; R156-D185 IonicContact NH1-OD1 3.71Å; R156-D185 IonicContact NH1-OD2 2.69Å; R156-D185 PolarHBondContact NH1-OD2 2.87Å; R156-D185 VanDerWaalsContact NH2-CG 3.32Å; R156-D185 IonicContact NH2-OD1 3.61Å; R156-D185 IonicContact NH2-OD2 2.67Å; R156-D185 PolarHBondContact NH2-OD2 2.86Å; R183-D185 VanDerWaalsContact C-N 3.31Å; R183-D185 VanDerWaalsContact CB-OD1 3.3Å; R183-D185 WeakPolarHBondContact CB-OD1 3.44Å; R183-D185 IonicContact CZ-OD1 3.93Å; R183-D185 IonicContact NE-OD1 3.13Å; R183-D185 PolarHBondContact NE-OD1 2.75Å; R183-D185 VanDerWaalsContact NE-OD1 3.13Å; R183-D185 IonicContact NH2-OD1 2.77Å
186	F	93	Very high	95.4	Very high	36 Å²	36	33 Å²	33	16%	0.158	20%	0.202	C	C	.	.			trans	-81.7	138	-175.2	-53.5	-60.5	0	0	0	112	H124 W126 R183 Q190 Q191 L194	H124-F186 HydrophobicContact CB-CE2 3.79Å; H124-F186 HydrophobicContact CB-CZ 3.69Å; H124-F186 AromaticContact CD2-CZ 3.99Å; H124-F186 AromaticContact CG-CZ 3.51Å; H124-F186 AromaticContact ND1-CZ 3.68Å; W126-F186 HydrophobicContact CB-CD2 4.38Å; W126-F186 HydrophobicContact CB-CE2 4.23Å; R183-F186 PolarHBondContact NH2-O 3.32Å; R183-F186 VanDerWaalsContact NH2-O 3.1Å; F186-Q190 HydrophobicContact CB-CB 4.22Å; F186-Q190 HydrophobicContact CD1-CB 4.2Å; F186-Q191 HydrophobicContact CB-CG 3.62Å; F186-Q191 HydrophobicContact CG-CG 4.47Å; F186-L194 HydrophobicContact CD1-CD1 4.05Å; F186-L194 HydrophobicContact CD2-CD1 3.85Å; F186-L194 HydrophobicContact CE1-CD1 3.84Å; F186-L194 HydrophobicContact CE2-CD1 3.62Å; F186-L194 HydrophobicContact CG-CD1 4.07Å; F186-L194 HydrophobicContact CZ-CD1 3.62Å
187	G	95.7	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.219	C	C	.	.			trans	-79.8	163.6	154.9	0	0	0	0	0	111.4	E178 A189 Q190 Q191	E178-G187 CarbonylContact O-C 3.6Å; G187-A189 VanDerWaalsContact C-N 3.31Å; G187-A189 PolarHBondContact O-N 2.86Å; G187-Q190 WeakPolarHBondContact O-CB 3.45Å; G187-Q190 PolarHBondContact O-N 3.34Å; G187-Q191 PolarHBondContact O-N 3.46Å
188	R	96.8	Very high	95.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-32.9	-172.8	60.4	-166.4	-156.7	-81.9	5.5	115.1	L153 D154 E178 I192 N220 S221	L153-R188 HydrophobicContact CB-CB 3.81Å; L153-R188 HydrophobicContact CD1-CB 4.27Å; D154-R188 HydrophobicContact CB-CB 4.34Å; D154-R188 WeakPolarHBondContact O-CD 3.33Å; E178-R188 PolarHBondContact O-N 3.36Å; E178-R188 IonicContact OE1-CZ 2.74Å; E178-R188 IonicContact OE1-NH1 3.23Å; E178-R188 PolarHBondContact OE1-NH1 2.72Å; E178-R188 IonicContact OE1-NH2 3.65Å; E178-R188 PolarHBondContact OE1-NH2 3.11Å; E178-R188 IonicContact OE2-CZ 2.88Å; E178-R188 IonicContact OE2-NE 3.37Å; E178-R188 PolarHBondContact OE2-NE 3.12Å; E178-R188 IonicContact OE2-NH1 3.31Å; E178-R188 PolarHBondContact OE2-NH1 3.14Å; E178-R188 IonicContact OE2-NH2 3.88Å; E178-R188 PolarHBondContact OE2-NH2 3.21Å; R188-I192 PolarHBondContact O-N 2.74Å; R188-N220 WeakPolarHBondContact CD-O 3.45Å; R188-N220 PolarHBondContact NE-O 3.22Å; R188-S221 PolarHBondContact NE-OG 2.8Å; R188-S221 VanDerWaalsContact NE-OG 3.17Å; R188-S221 PolarHBondContact NH2-OG 2.78Å
189	A	97.6	Very high	94.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.7	-38.3	174.8	0	0	0	0	0	111.9	E178 W179 G187 I192 S193 P243 Q247	E178-A189 HydrophobicContact CB-CB 4.15Å; E178-A189 WeakPolarHBondContact O-CB 3.28Å; E178-A189 PolarHBondContact O-N 2.87Å; W179-A189 HydrophobicContact CD2-CB 3.69Å; W179-A189 HydrophobicContact CE3-CB 4.01Å; W179-A189 HydrophobicContact CG-CB 4.11Å; W179-A189 HydrophobicContact CH2-CB 4.22Å; W179-A189 HydrophobicContact CZ2-CB 3.98Å; W179-A189 HydrophobicContact CZ3-CB 4.24Å; G187-A189 VanDerWaalsContact C-N 3.31Å; G187-A189 PolarHBondContact O-N 2.86Å; A189-I192 PolarHBondContact O-N 2.85Å; A189-S193 PolarHBondContact O-N 2.86Å; A189-S193 PolarHBondContact O-OG 3.38Å; A189-P243 HydrophobicContact CB-CB 3.98Å; A189-P243 HydrophobicContact CB-CG 3.77Å; A189-Q247 PolarHBondContact O-NE2 2.85Å
190	Q	95.3	Very high	94.7	Very high	53 Å²	53	42 Å²	42	25%	0.248	24%	0.244	C	C	.	.	H	α-helix	trans	-71.6	-39	177.8	-66.4	147.8	-46	0	0	111.3	W179 F186 G187 I192 S193 L194	W179-Q190 VanDerWaalsContact C-CD 3.42Å; W179-Q190 HydrophobicContact CE3-CG 3.58Å; W179-Q190 HydrophobicContact CZ3-CG 4.16Å; W179-Q190 PolarHBondContact O-NE2 3.3Å; W179-Q190 PolarHBondContact O-OE1 3.06Å; F186-Q190 HydrophobicContact CB-CB 4.22Å; F186-Q190 HydrophobicContact CD1-CB 4.2Å; G187-Q190 WeakPolarHBondContact O-CB 3.45Å; G187-Q190 PolarHBondContact O-N 3.34Å; Q190-I192 VanDerWaalsContact C-N 3.29Å; Q190-I192 PolarHBondContact O-N 2.64Å; Q190-S193 CarbonylContact O-C 3.47Å; Q190-S193 WeakPolarHBondContact O-CA 3.42Å; Q190-S193 WeakPolarHBondContact O-CB 3.35Å; Q190-S193 PolarHBondContact O-N 2.81Å; Q190-L194 WeakPolarHBondContact O-CG 3.34Å; Q190-L194 PolarHBondContact O-N 2.82Å
191	Q	95.8	Very high	94.8	Very high	15 Å²	15	41.9 Å²	41.9	7%	0.07	24%	0.243	C	C	.	.	H	α-helix	trans	-57.4	-43.3	173.9	-71.1	174.7	-44.4	0	0	111.5	A128 L153 F186 G187 L194 L195	A128-Q191 WeakPolarHBondContact O-CB 3.07Å; A128-Q191 VanDerWaalsContact O-CG 3.27Å; A128-Q191 WeakPolarHBondContact O-CG 3.37Å; A128-Q191 PolarHBondContact O-NE2 3.02Å; L153-Q191 VanDerWaalsContact CA-OE1 3.27Å; L153-Q191 HydrophobicContact CD2-CB 3.89Å; F186-Q191 HydrophobicContact CB-CG 3.62Å; F186-Q191 HydrophobicContact CG-CG 4.47Å; G187-Q191 PolarHBondContact O-N 3.46Å; Q191-L194 WeakPolarHBondContact O-CB 3.37Å; Q191-L194 PolarHBondContact O-N 3.47Å; Q191-L195 WeakPolarHBondContact O-CB 3.39Å; Q191-L195 PolarHBondContact O-N 3.32Å
192	I	97.3	Very high	94.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.6	-39	172.7	-68.1	-53.1	0	0	0	112.2	L153 R188 A189 Q190 L194 L195 V196 T244 Q247 L248	L153-I192 HydrophobicContact CD1-CD1 3.71Å; L153-I192 HydrophobicContact CD1-CG1 3.65Å; L153-I192 HydrophobicContact CD2-CD1 4.09Å; R188-I192 PolarHBondContact O-N 2.74Å; A189-I192 PolarHBondContact O-N 2.85Å; Q190-I192 VanDerWaalsContact C-N 3.29Å; Q190-I192 PolarHBondContact O-N 2.64Å; I192-L194 VanDerWaalsContact C-N 3.26Å; I192-L194 PolarHBondContact O-N 3.07Å; I192-L195 HydrophobicContact CD1-CD1 4.26Å; I192-L195 PolarHBondContact O-N 3.38Å; I192-V196 HydrophobicContact CG2-CG1 3.99Å; I192-V196 WeakPolarHBondContact O-CG1 3.48Å; I192-V196 WeakPolarHBondContact O-CG2 3.27Å; I192-V196 PolarHBondContact O-N 2.67Å; I192-T244 HydrophobicContact CD1-CG2 4.47Å; I192-T244 HydrophobicContact CG1-CG2 3.57Å; I192-Q247 HydrophobicContact CG2-CB 3.56Å; I192-Q247 HydrophobicContact CG2-CG 4.44Å; I192-L248 HydrophobicContact CD1-CD2 4.2Å; I192-L248 HydrophobicContact CG2-CD2 4Å; I192-L248 HydrophobicContact CG2-CG 4.19Å
193	S	95.9	Very high	95.1	Very high	29 Å²	29	41.2 Å²	41.2	20%	0.203	22%	0.215	C	C	.	.	H	α-helix	trans	-57.1	-41.5	173.2	-62.2	0	0	0	0	111.7	A189 Q190 N197 Q247	A189-S193 PolarHBondContact O-N 2.86Å; A189-S193 PolarHBondContact O-OG 3.38Å; Q190-S193 CarbonylContact O-C 3.47Å; Q190-S193 WeakPolarHBondContact O-CA 3.42Å; Q190-S193 WeakPolarHBondContact O-CB 3.35Å; Q190-S193 PolarHBondContact O-N 2.81Å; S193-N197 WeakPolarHBondContact O-CB 3.5Å; S193-N197 PolarHBondContact O-N 2.86Å; S193-N197 PolarHBondContact O-ND2 2.98Å; S193-Q247 PolarHBondContact OG-OE1 3.26Å
194	L	95	Very high	95.4	Very high	33 Å²	33	39.3 Å²	39.3	17%	0.173	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-51.2	174.6	-65.5	174.8	0	0	0	111	H124 A128 Y130 F186 Q190 Q191 I192 V196 N197 S198	H124-L194 WeakPolarHBondContact NE2-CD2 3.39Å; A128-L194 HydrophobicContact CB-CD1 4.24Å; Y130-L194 WeakPolarHBondContact OH-CB 3.47Å; F186-L194 HydrophobicContact CD1-CD1 4.05Å; F186-L194 HydrophobicContact CD2-CD1 3.85Å; F186-L194 HydrophobicContact CE1-CD1 3.84Å; F186-L194 HydrophobicContact CE2-CD1 3.62Å; F186-L194 HydrophobicContact CG-CD1 4.07Å; F186-L194 HydrophobicContact CZ-CD1 3.62Å; Q190-L194 WeakPolarHBondContact O-CG 3.34Å; Q190-L194 PolarHBondContact O-N 2.82Å; Q191-L194 WeakPolarHBondContact O-CB 3.37Å; Q191-L194 PolarHBondContact O-N 3.47Å; I192-L194 VanDerWaalsContact C-N 3.26Å; I192-L194 PolarHBondContact O-N 3.07Å; L194-V196 PolarHBondContact O-N 2.94Å; L194-N197 CarbonylContact O-C 3.42Å; L194-N197 PolarHBondContact O-N 2.96Å; L194-N197 VanDerWaalsContact O-N 3.14Å; L194-S198 PolarHBondContact O-N 3Å
195	L	95.9	Very high	95.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-53.1	-53.3	-179	-177.8	155.6	0	0	0	111.6	Y130 W149 V151 Q191 I192 N197 S198 F201 L215	Y130-L195 HydrophobicContact CD1-CB 4.01Å; Y130-L195 HydrophobicContact CD1-CD1 3.86Å; Y130-L195 HydrophobicContact CD1-CG 4.33Å; Y130-L195 HydrophobicContact CD2-CD1 4.24Å; Y130-L195 HydrophobicContact CD2-CG 4.38Å; Y130-L195 HydrophobicContact CE1-CB 3.65Å; Y130-L195 HydrophobicContact CE1-CD1 4.37Å; Y130-L195 HydrophobicContact CE1-CG 4.39Å; Y130-L195 HydrophobicContact CE2-CB 4.23Å; Y130-L195 HydrophobicContact CE2-CG 4.39Å; Y130-L195 HydrophobicContact CG-CB 4.48Å; Y130-L195 HydrophobicContact CG-CD1 3.8Å; Y130-L195 HydrophobicContact CG-CG 4.36Å; Y130-L195 PolarHBondContact OH-N 2.68Å; W149-L195 HydrophobicContact CE3-CD1 4.15Å; W149-L195 HydrophobicContact CE3-CG 4.2Å; W149-L195 HydrophobicContact CZ3-CG 4.18Å; V151-L195 HydrophobicContact CG1-CD1 3.55Å; Q191-L195 WeakPolarHBondContact O-CB 3.39Å; Q191-L195 PolarHBondContact O-N 3.32Å; I192-L195 HydrophobicContact CD1-CD1 4.26Å; I192-L195 PolarHBondContact O-N 3.38Å; L195-N197 PolarHBondContact O-N 3.34Å; L195-S198 WeakPolarHBondContact O-CB 3.49Å; L195-S198 PolarHBondContact O-N 2.63Å; L195-S198 VanDerWaalsContact O-N 3.13Å; L195-S198 PolarHBondContact O-OG 3.18Å; L195-F201 HydrophobicContact CD2-CB 4.47Å; L195-F201 HydrophobicContact CD2-CD1 4.14Å; L195-F201 HydrophobicContact CD2-CD2 3.35Å; L195-F201 HydrophobicContact CD2-CE1 4.2Å; L195-F201 HydrophobicContact CD2-CE2 3.44Å; L195-F201 VanDerWaalsContact CD2-CE2 3.44Å; L195-F201 HydrophobicContact CD2-CG 3.73Å; L195-F201 HydrophobicContact CD2-CZ 3.87Å; L195-F201 HydrophobicContact CG-CD2 4.23Å; L195-F201 WeakPolarHBondContact O-CB 3.14Å; L195-L215 HydrophobicContact CD1-CD1 3.78Å; L195-L215 HydrophobicContact CD2-CD1 3.85Å
196	V	97	Very high	96.2	Very high	14 Å²	14	38.5 Å²	38.5	9%	0.085	21%	0.205	C	C	.	.	H	α-helix	trans	-70.9	-18.5	-174	-57.6	0	0	0	0	113.4	I192 L194 F201 V202 L248 V251	I192-V196 HydrophobicContact CG2-CG1 3.99Å; I192-V196 WeakPolarHBondContact O-CG1 3.48Å; I192-V196 WeakPolarHBondContact O-CG2 3.27Å; I192-V196 PolarHBondContact O-N 2.67Å; L194-V196 PolarHBondContact O-N 2.94Å; V196-F201 HydrophobicContact CB-CD1 4.39Å; V196-F201 HydrophobicContact CB-CE1 4.35Å; V196-F201 HydrophobicContact CG1-CE1 4.19Å; V196-V202 WeakPolarHBondContact O-CG2 3.5Å; V196-L248 HydrophobicContact CG1-CD2 4.17Å; V196-V251 HydrophobicContact CB-CG1 4.06Å; V196-V251 HydrophobicContact CG1-CG1 4.34Å; V196-V251 HydrophobicContact CG1-CG2 4.08Å; V196-V251 HydrophobicContact CG2-CG1 4.41Å
197	N	94.9	Very high	96.4	Very high	124 Å²	124	39.6 Å²	39.6	66%	0.663	21%	0.211	S	C	*	.	H	α-helix	trans	-99.7	-5.6	174.9	-70.2	-71.1	0	0	0	113.1	S193 L194 L195	S193-N197 WeakPolarHBondContact O-CB 3.5Å; S193-N197 PolarHBondContact O-N 2.86Å; S193-N197 PolarHBondContact O-ND2 2.98Å; L194-N197 CarbonylContact O-C 3.42Å; L194-N197 PolarHBondContact O-N 2.96Å; L194-N197 VanDerWaalsContact O-N 3.14Å; L195-N197 PolarHBondContact O-N 3.34Å
198	S	94	Very high	96.4	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.021	21%	0.212	C	C	.	.	S	Bend	trans	-62.7	143.7	177.4	74.4	0	0	0	0	110.7	D122 L194 L195 A200 F201 V202	D122-S198 WeakPolarHBondContact OD2-CB 3.37Å; L194-S198 PolarHBondContact O-N 3Å; L195-S198 WeakPolarHBondContact O-CB 3.49Å; L195-S198 PolarHBondContact O-N 2.63Å; L195-S198 VanDerWaalsContact O-N 3.13Å; L195-S198 PolarHBondContact O-OG 3.18Å; S198-A200 VanDerWaalsContact C-N 3.28Å; S198-A200 PolarHBondContact O-N 3.06Å; S198-F201 PolarHBondContact O-N 2.74Å; S198-F201 WeakPolarHBondContact OG-CB 3.4Å; S198-F201 PolarHBondContact OG-N 2.89Å; S198-V202 WeakPolarHBondContact O-CG2 3.46Å; S198-V202 PolarHBondContact O-N 2.93Å
199	K	94.1	Very high	96.3	Very high	178 Å²	178	45.1 Å²	45.1	77%	0.774	24%	0.241	S	C	*	.	H	α-helix	trans	-55.8	-44.2	-178.2	-178.6	-178.4	176.2	-176.1	0	111.8	Q203	K199-Q203 WeakPolarHBondContact O-CB 3.13Å; K199-Q203 PolarHBondContact O-N 3.42Å; K199-Q203 VanDerWaalsContact O-N 3.07Å
200	A	94.8	Very high	96	Very high	21 Å²	21	50.6 Å²	50.6	17%	0.174	27%	0.274	C	S	.	.	H	α-helix	trans	-67.6	-42	-178.5	0	0	0	0	0	111.8	W132 W149 S198 Q203 H204	W132-A200 HydrophobicContact CZ2-CB 4.48Å; W149-A200 HydrophobicContact CH2-CB 4.05Å; W149-A200 HydrophobicContact CZ2-CB 4.01Å; S198-A200 VanDerWaalsContact C-N 3.28Å; S198-A200 PolarHBondContact O-N 3.06Å; A200-Q203 PolarHBondContact O-N 3.37Å; A200-H204 WeakPolarHBondContact O-CB 3.31Å; A200-H204 PolarHBondContact O-N 3.08Å; A200-H204 PolarHBondContact O-ND1 2.68Å
201	F	96.8	Very high	96	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.4	-44.7	179.6	-170.4	-91.7	0	0	0	111.5	W149 L195 V196 S198 Q203 H204 L205 L213 L215 V251 L253	W149-F201 AromaticContact CD2-CD2 3.83Å; W149-F201 HydrophobicContact CD2-CD2 3.83Å; W149-F201 HydrophobicContact CD2-CE2 4.48Å; W149-F201 AromaticContact CE2-CD2 3.64Å; W149-F201 HydrophobicContact CE3-CD2 4.2Å; W149-F201 HydrophobicContact CG-CD2 4.33Å; W149-F201 HydrophobicContact CH2-CB 3.67Å; W149-F201 HydrophobicContact CH2-CD2 4.23Å; W149-F201 HydrophobicContact CH2-CG 4.47Å; W149-F201 VanDerWaalsContact CZ2-CA 3.43Å; W149-F201 HydrophobicContact CZ2-CB 3.65Å; W149-F201 AromaticContact CZ2-CD2 3.89Å; W149-F201 HydrophobicContact CZ2-CD2 3.89Å; W149-F201 HydrophobicContact CZ2-CG 4.27Å; W149-F201 HydrophobicContact CZ3-CB 4.36Å; W149-F201 HydrophobicContact CZ3-CD2 4.37Å; W149-F201 AromaticContact NE1-CD2 3.97Å; L195-F201 HydrophobicContact CD2-CB 4.47Å; L195-F201 HydrophobicContact CD2-CD1 4.14Å; L195-F201 HydrophobicContact CD2-CD2 3.35Å; L195-F201 HydrophobicContact CD2-CE1 4.2Å; L195-F201 HydrophobicContact CD2-CE2 3.44Å; L195-F201 VanDerWaalsContact CD2-CE2 3.44Å; L195-F201 HydrophobicContact CD2-CG 3.73Å; L195-F201 HydrophobicContact CD2-CZ 3.87Å; L195-F201 HydrophobicContact CG-CD2 4.23Å; L195-F201 WeakPolarHBondContact O-CB 3.14Å; V196-F201 HydrophobicContact CB-CD1 4.39Å; V196-F201 HydrophobicContact CB-CE1 4.35Å; V196-F201 HydrophobicContact CG1-CE1 4.19Å; S198-F201 PolarHBondContact O-N 2.74Å; S198-F201 WeakPolarHBondContact OG-CB 3.4Å; S198-F201 PolarHBondContact OG-N 2.89Å; F201-Q203 VanDerWaalsContact C-N 3.27Å; F201-Q203 PolarHBondContact O-N 3.16Å; F201-H204 PolarHBondContact O-N 3.24Å; F201-L205 HydrophobicContact CE1-CB 4.43Å; F201-L205 HydrophobicContact CE1-CD1 4.11Å; F201-L205 HydrophobicContact CE1-CD2 4.34Å; F201-L205 HydrophobicContact CZ-CD1 4.38Å; F201-L205 WeakPolarHBondContact O-CB 3.12Å; F201-L205 PolarHBondContact O-N 3.45Å; F201-L213 HydrophobicContact CE2-CD2 3.96Å; F201-L213 HydrophobicContact CZ-CD2 3.96Å; F201-L215 HydrophobicContact CE2-CD1 4.08Å; F201-V251 HydrophobicContact CE1-CG2 4.15Å; F201-L253 HydrophobicContact CZ-CD1 3.92Å; F201-L253 HydrophobicContact CZ-CG 4.49Å
202	V	97.7	Very high	96.1	Very high	76 Å²	76	48.3 Å²	48.3	46%	0.461	27%	0.265	S	S	.	.	H	α-helix	trans	-57.8	-42.7	176.1	171.9	0	0	0	0	110.8	V196 S198 S206	V196-V202 WeakPolarHBondContact O-CG2 3.5Å; S198-V202 WeakPolarHBondContact O-CG2 3.46Å; S198-V202 PolarHBondContact O-N 2.93Å; V202-S206 PolarHBondContact O-N 3.01Å; V202-S206 VanDerWaalsContact O-N 3.08Å
203	Q	97.6	Very high	96.2	Very high	94 Å²	94	48.3 Å²	48.3	44%	0.439	27%	0.265	S	S	.	.	H	α-helix	trans	-61.1	-55.7	174.4	-179	-179.3	-18.2	0	0	111.4	K199 A200 F201 L205 S206 E207	K199-Q203 WeakPolarHBondContact O-CB 3.13Å; K199-Q203 PolarHBondContact O-N 3.42Å; K199-Q203 VanDerWaalsContact O-N 3.07Å; A200-Q203 PolarHBondContact O-N 3.37Å; F201-Q203 VanDerWaalsContact C-N 3.27Å; F201-Q203 PolarHBondContact O-N 3.16Å; Q203-L205 PolarHBondContact O-N 2.99Å; Q203-S206 WeakPolarHBondContact O-CB 3.27Å; Q203-S206 PolarHBondContact O-N 3.23Å; Q203-S206 PolarHBondContact O-OG 3.02Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.46Å; Q203-E207 PolarHBondContact NE2-OE1 3.03Å; Q203-E207 WeakPolarHBondContact O-CG 3.23Å; Q203-E207 PolarHBondContact O-N 2.84Å; Q203-E207 VanDerWaalsContact O-N 3.16Å
204	H	98.1	Very high	96.3	Very high	13 Å²	13	46.9 Å²	46.9	6%	0.06	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-34	-178.9	-64.6	152.9	0	0	0	112.7	W132 N147 W149 A200 F201 E207 S208 L213	W132-H204 AromaticContact CD2-CE1 3.65Å; W132-H204 AromaticContact CE3-CE1 3.73Å; N147-H204 HydrophobicContact CB-CB 4Å; N147-H204 VanDerWaalsContact CG-CD2 3.43Å; N147-H204 PolarHBondContact ND2-CD2 2.92Å; W149-H204 AromaticContact CE2-ND1 3.62Å; W149-H204 AromaticContact CZ2-ND1 3.51Å; W149-H204 AromaticContact NE1-ND1 3.19Å; W149-H204 PolarHBondContact NE1-ND1 2.81Å; W149-H204 VanDerWaalsContact NE1-ND1 3.19Å; A200-H204 WeakPolarHBondContact O-CB 3.31Å; A200-H204 PolarHBondContact O-N 3.08Å; A200-H204 PolarHBondContact O-ND1 2.68Å; F201-H204 PolarHBondContact O-N 3.24Å; H204-E207 IonicContact CD2-OE2 3.51Å; H204-E207 PolarHBondContact O-N 2.74Å; H204-S208 PolarHBondContact O-N 3.01Å; H204-L213 HydrophobicContact CB-CD1 4.08Å
205	L	98.2	Very high	96.5	Very high	33 Å²	33	45.3 Å²	45.3	17%	0.173	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-41	174.9	-167.7	75.5	0	0	0	111.3	F201 Q203 E207 S208 L213 V251 K299	F201-L205 HydrophobicContact CE1-CB 4.43Å; F201-L205 HydrophobicContact CE1-CD1 4.11Å; F201-L205 HydrophobicContact CE1-CD2 4.34Å; F201-L205 HydrophobicContact CZ-CD1 4.38Å; F201-L205 WeakPolarHBondContact O-CB 3.12Å; F201-L205 PolarHBondContact O-N 3.45Å; Q203-L205 PolarHBondContact O-N 2.99Å; L205-E207 VanDerWaalsContact C-N 3.27Å; L205-E207 PolarHBondContact O-N 3.11Å; L205-S208 VanDerWaalsContact O-CB 3.28Å; L205-S208 WeakPolarHBondContact O-CB 3.21Å; L205-S208 PolarHBondContact O-N 3.23Å; L205-S208 PolarHBondContact O-OG 3.22Å; L205-L213 HydrophobicContact CB-CD2 4.25Å; L205-L213 HydrophobicContact CD1-CD2 3.74Å; L205-V251 HydrophobicContact CD2-CB 4.04Å; L205-K299 HydrophobicContact CD1-CD 3.39Å; L205-K299 HydrophobicContact CG-CD 4.13Å
206	S	98	Very high	96.6	Very high	87 Å²	87	45.3 Å²	45.3	61%	0.608	25%	0.247	S	C	*	.	H	α-helix	trans	-66	-29.1	176.8	78.4	0	0	0	0	113.2	V202 Q203 S208	V202-S206 PolarHBondContact O-N 3.01Å; V202-S206 VanDerWaalsContact O-N 3.08Å; Q203-S206 WeakPolarHBondContact O-CB 3.27Å; Q203-S206 PolarHBondContact O-N 3.23Å; Q203-S206 PolarHBondContact O-OG 3.02Å; S206-S208 VanDerWaalsContact C-N 3.35Å
207	E	97.1	Very high	96.7	Very high	59 Å²	59	44.7 Å²	44.7	28%	0.276	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.4	179.9	-66	168.6	-178.9	0	0	113.4	N147 Q203 H204 L205 N209 T210 V211	N147-E207 PolarHBondContact ND2-OE2 3.14Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.46Å; Q203-E207 PolarHBondContact NE2-OE1 3.03Å; Q203-E207 WeakPolarHBondContact O-CG 3.23Å; Q203-E207 PolarHBondContact O-N 2.84Å; Q203-E207 VanDerWaalsContact O-N 3.16Å; H204-E207 IonicContact CD2-OE2 3.51Å; H204-E207 PolarHBondContact O-N 2.74Å; L205-E207 VanDerWaalsContact C-N 3.27Å; L205-E207 PolarHBondContact O-N 3.11Å; E207-N209 PolarHBondContact O-N 2.92Å; E207-T210 PolarHBondContact O-N 3.24Å; E207-T210 PolarHBondContact O-OG1 3.27Å; E207-V211 PolarHBondContact O-N 2.91Å
208	S	97.3	Very high	96.9	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.021	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-15.6	-171.7	61.3	0	0	0	0	116.3	H204 L205 S206 T210 V211 K299	H204-S208 PolarHBondContact O-N 3.01Å; L205-S208 VanDerWaalsContact O-CB 3.28Å; L205-S208 WeakPolarHBondContact O-CB 3.21Å; L205-S208 PolarHBondContact O-N 3.23Å; L205-S208 PolarHBondContact O-OG 3.22Å; S206-S208 VanDerWaalsContact C-N 3.35Å; S208-T210 VanDerWaalsContact C-N 3.33Å; S208-V211 VanDerWaalsContact CA-O 3.25Å; S208-V211 WeakPolarHBondContact CA-O 3.45Å; S208-K299 WeakPolarHBondContact OG-CD 3.28Å; S208-K299 VanDerWaalsContact OG-CE 3.26Å; S208-K299 WeakPolarHBondContact OG-CE 3.46Å
209	N	93.5	Very high	97.1	Very high	113 Å²	113	38.7 Å²	38.7	60%	0.604	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-20.1	174.3	-71.2	-35.5	0	0	0	113.6	E207 S301	E207-N209 PolarHBondContact O-N 2.92Å; N209-S301 PolarHBondContact O-OG 3.35Å
210	T	92.3	Very high	97.3	Very high	114 Å²	114	30.9 Å²	30.9	70%	0.699	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.8	-35.6	179.9	54.1	0	0	0	0	112.3	E207 S208	E207-T210 PolarHBondContact O-N 3.24Å; E207-T210 PolarHBondContact O-OG1 3.27Å; S208-T210 VanDerWaalsContact C-N 3.33Å
211	V	95.7	Very high	97.5	Very high	18 Å²	18	29.9 Å²	29.9	11%	0.109	17%	0.169	C	C	.	.	S	Bend	trans	-116.6	106.7	176.9	-179.5	0	0	0	0	108.1	L145 N147 E207 S208 L213	L145-V211 HydrophobicContact CB-CG1 4.14Å; L145-V211 HydrophobicContact CB-CG2 4.27Å; N147-V211 HydrophobicContact CB-CG1 4.32Å; N147-V211 WeakPolarHBondContact ND2-CG1 3.23Å; E207-V211 PolarHBondContact O-N 2.91Å; S208-V211 VanDerWaalsContact CA-O 3.25Å; S208-V211 WeakPolarHBondContact CA-O 3.45Å; V211-L213 PolarHBondContact O-N 3.39Å
212	P	96.9	Very high	97.6	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.013	17%	0.169	C	C	.	.			trans	-56.2	137.4	179.6	27.7	-38.7	0	0	0	111.2	L145 V146 N147 F214 W303	L145-P212 WeakPolarHBondContact O-CD 3.46Å; V146-P212 HydrophobicContact CG2-CG 4Å; N147-P212 PolarHBondContact N-O 3.35Å; P212-F214 HydrophobicContact CB-CD2 4.46Å; P212-F214 HydrophobicContact CB-CE2 3.68Å; P212-F214 HydrophobicContact CB-CZ 3.94Å; P212-F214 HydrophobicContact CG-CE2 3.88Å; P212-F214 HydrophobicContact CG-CZ 4.4Å; P212-W303 HydrophobicContact CB-CB 4.45Å; P212-W303 HydrophobicContact CB-CG 4.2Å; P212-W303 VanDerWaalsContact CG-CD1 3.48Å; P212-W303 HydrophobicContact CG-CG 4.26Å
213	L	98.7	Very high	97.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.4	173.2	174.4	62.1	0	0	0	108.7	N147 W149 F201 H204 L205 V211 L253 Y298 K299	N147-L213 HydrophobicContact CB-CD1 3.91Å; N147-L213 WeakPolarHBondContact O-CA 3.26Å; W149-L213 HydrophobicContact CG-CD1 4.46Å; F201-L213 HydrophobicContact CE2-CD2 3.96Å; F201-L213 HydrophobicContact CZ-CD2 3.96Å; H204-L213 HydrophobicContact CB-CD1 4.08Å; L205-L213 HydrophobicContact CB-CD2 4.25Å; L205-L213 HydrophobicContact CD1-CD2 3.74Å; V211-L213 PolarHBondContact O-N 3.39Å; L213-L253 HydrophobicContact CD2-CD2 4.26Å; L213-L253 HydrophobicContact CG-CD2 4.43Å; L213-Y298 CarbonylContact O-C 3.54Å; L213-Y298 VanDerWaalsContact O-CA 3.23Å; L213-Y298 WeakPolarHBondContact O-CA 3.09Å; L213-K299 HydrophobicContact CB-CB 4.46Å; L213-K299 PolarHBondContact N-O 3.07Å; L213-K299 PolarHBondContact O-N 3.45Å
214	F	98.9	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.4	169.4	-56.8	-85	0	0	0	109.6	I40 V146 N147 F148 W149 P212 F297 Y298 F339	I40-F214 HydrophobicContact CD1-CB 3.78Å; I40-F214 HydrophobicContact CD1-CD1 3.32Å; I40-F214 HydrophobicContact CD1-CD2 3.65Å; I40-F214 HydrophobicContact CD1-CE1 3.72Å; I40-F214 HydrophobicContact CD1-CE2 4Å; I40-F214 HydrophobicContact CD1-CG 3.28Å; I40-F214 HydrophobicContact CD1-CZ 4.04Å; V146-F214 HydrophobicContact CG1-CD2 3.42Å; V146-F214 VanDerWaalsContact CG1-CD2 3.42Å; V146-F214 HydrophobicContact CG1-CE2 3.68Å; V146-F214 HydrophobicContact CG2-CE2 4.3Å; N147-F214 PolarHBondContact O-N 3.07Å; F148-F214 HydrophobicContact CD2-CB 3.82Å; F148-F214 HydrophobicContact CE2-CB 4.18Å; W149-F214 PolarHBondContact N-O 3.38Å; P212-F214 HydrophobicContact CB-CD2 4.46Å; P212-F214 HydrophobicContact CB-CE2 3.68Å; P212-F214 HydrophobicContact CB-CZ 3.94Å; P212-F214 HydrophobicContact CG-CE2 3.88Å; P212-F214 HydrophobicContact CG-CZ 4.4Å; F214-F297 WeakPolarHBondContact CA-O 3.21Å; F214-Y298 VanDerWaalsContact CD1-CB 3.46Å; F214-F339 HydrophobicContact CD1-CD2 4.33Å; F214-F339 HydrophobicContact CD1-CE1 4.31Å; F214-F339 AromaticContact CD1-CE2 3.95Å; F214-F339 HydrophobicContact CD1-CE2 3.95Å; F214-F339 AromaticContact CD1-CZ 3.95Å; F214-F339 HydrophobicContact CD1-CZ 3.95Å; F214-F339 HydrophobicContact CE1-CB 4.43Å; F214-F339 AromaticContact CE1-CD1 3.68Å; F214-F339 HydrophobicContact CE1-CD1 3.68Å; F214-F339 AromaticContact CE1-CD2 3.63Å; F214-F339 HydrophobicContact CE1-CD2 3.63Å; F214-F339 AromaticContact CE1-CE1 3.73Å; F214-F339 HydrophobicContact CE1-CE1 3.73Å; F214-F339 AromaticContact CE1-CE2 3.66Å; F214-F339 HydrophobicContact CE1-CE2 3.66Å; F214-F339 AromaticContact CE1-CG 3.63Å; F214-F339 HydrophobicContact CE1-CG 3.63Å; F214-F339 AromaticContact CE1-CZ 3.72Å; F214-F339 HydrophobicContact CE1-CZ 3.72Å; F214-F339 HydrophobicContact CZ-CB 4.45Å; F214-F339 HydrophobicContact CZ-CD1 4.4Å; F214-F339 HydrophobicContact CZ-CD2 4.26Å; F214-F339 HydrophobicContact CZ-CG 4.11Å
215	L	98.9	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123	170.9	177.7	152.9	0	0	0	107.3	W149 V151 L195 F201 L248 L253 F297	W149-L215 HydrophobicContact CB-CB 4.15Å; W149-L215 HydrophobicContact CB-CD1 4.39Å; W149-L215 HydrophobicContact CB-CG 4.18Å; W149-L215 WeakPolarHBondContact O-CA 3.28Å; V151-L215 HydrophobicContact CG1-CD1 4.12Å; V151-L215 HydrophobicContact CG1-CD2 4.23Å; V151-L215 HydrophobicContact CG1-CG 4.1Å; V151-L215 HydrophobicContact CG2-CD2 4.11Å; L195-L215 HydrophobicContact CD1-CD1 3.78Å; L195-L215 HydrophobicContact CD2-CD1 3.85Å; F201-L215 HydrophobicContact CE2-CD1 4.08Å; L215-L248 HydrophobicContact CD1-CD2 3.96Å; L215-L248 HydrophobicContact CD2-CD1 4.12Å; L215-L253 HydrophobicContact CD1-CD1 4.49Å; L215-F297 HydrophobicContact CB-CB 4.38Å; L215-F297 HydrophobicContact CD2-CD2 4.07Å; L215-F297 PolarHBondContact N-O 3.13Å; L215-F297 PolarHBondContact O-N 2.69Å
216	A	98.9	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.3	-177	0	0	0	0	0	109.7	I40 A72 F148 W149 N150 V151 M295 I296	I40-A216 HydrophobicContact CG2-CB 4.34Å; A72-A216 HydrophobicContact CB-CB 4.04Å; F148-A216 HydrophobicContact CE2-CB 4.1Å; F148-A216 HydrophobicContact CZ-CB 3.84Å; W149-A216 PolarHBondContact O-N 2.96Å; N150-A216 CarbonylContact C-O 3.54Å; N150-A216 VanDerWaalsContact CA-O 3.27Å; N150-A216 WeakPolarHBondContact CA-O 3.25Å; V151-A216 PolarHBondContact N-O 2.81Å; A216-M295 VanDerWaalsContact CA-O 3.3Å; A216-M295 WeakPolarHBondContact CA-O 3.45Å; A216-I296 HydrophobicContact CB-CG1 3.93Å; A216-I296 HydrophobicContact CB-CG2 4.48Å
217	G	98.7	Very high	97.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.6	-174.4	177.1	0	0	0	0	0	113.8	T42 V151 L219 D294 M295	T42-G217 WeakPolarHBondContact OG1-CA 3.32Å; T42-G217 PolarHBondContact OG1-N 3.18Å; V151-G217 WeakPolarHBondContact O-CA 3.37Å; G217-L219 WeakPolarHBondContact O-CD1 3.39Å; G217-D294 WeakPolarHBondContact O-CA 3.39Å; G217-M295 PolarHBondContact N-O 2.81Å; G217-M295 PolarHBondContact O-N 2.74Å
218	D	98.8	Very high	97.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	110.1	167.5	179	2.8	0	0	0	108.6	N44 Q74 V151 H152 L153 N220 H332	N44-D218 HydrophobicContact CB-CB 4.45Å; N44-D218 PolarHBondContact ND2-OD2 2.9Å; N44-D218 VanDerWaalsContact ND2-OD2 3.07Å; Q74-D218 HydrophobicContact CG-CB 4.12Å; V151-D218 PolarHBondContact O-N 3.02Å; V151-D218 VanDerWaalsContact O-N 3.14Å; H152-D218 WeakPolarHBondContact CA-O 3.44Å; H152-D218 IonicContact CD2-OD2 3.05Å; H152-D218 IonicContact NE2-OD2 3.69Å; L153-D218 PolarHBondContact N-O 3.27Å; D218-N220 VanDerWaalsContact C-N 3.32Å; D218-N220 PolarHBondContact OD1-N 2.87Å; D218-N220 PolarHBondContact OD2-ND2 3.48Å; D218-H332 IonicContact OD1-CE1 2.88Å; D218-H332 IonicContact OD2-CE1 3.27Å; D218-H332 PolarHBondContact OD2-CE1 3.07Å; D218-H332 IonicContact OD2-ND1 3.95Å; D218-H332 IonicContact OD2-NE2 3.97Å
219	L	98.8	Very high	97.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.			trans	-86.4	-7.1	-178.3	-79.3	71.3	0	0	0	112.4	V151 L153 G217 S221 T244 T245 L248 I293 M295 F297	V151-L219 HydrophobicContact CG2-CD1 3.81Å; V151-L219 HydrophobicContact CG2-CG 4.3Å; L153-L219 HydrophobicContact CD1-CB 4.08Å; L153-L219 HydrophobicContact CD1-CG 4.12Å; G217-L219 WeakPolarHBondContact O-CD1 3.39Å; L219-S221 WeakPolarHBondContact O-CB 3.37Å; L219-S221 PolarHBondContact O-N 3.33Å; L219-T244 HydrophobicContact CB-CG2 4.24Å; L219-T244 HydrophobicContact CD2-CG2 4.05Å; L219-T244 HydrophobicContact CG-CG2 4.36Å; L219-T245 HydrophobicContact CD2-CG2 3.68Å; L219-L248 HydrophobicContact CD2-CD1 3.89Å; L219-I293 WeakPolarHBondContact CB-O 3.26Å; L219-I293 PolarHBondContact N-O 3.05Å; L219-M295 HydrophobicContact CD1-CB 4.26Å; L219-M295 HydrophobicContact CD2-SD 4.39Å; L219-F297 HydrophobicContact CD2-CE2 3.73Å; L219-F297 HydrophobicContact CD2-CZ 4.4Å
220	N	98.6	Very high	98	Very high	15 Å²	15	28.9 Å²	28.9	8%	0.08	14%	0.144	C	C	.	.	S	Bend	trans	46.6	26.4	-172.6	-83.8	-65.4	0	0	0	113.3	L153 D154 W155 Y158 R188 D218	L153-N220 PolarHBondContact O-ND2 3.38Å; D154-N220 VanDerWaalsContact O-CB 3.32Å; D154-N220 WeakPolarHBondContact O-CB 3.13Å; W155-N220 HydrophobicContact CB-CB 4.47Å; Y158-N220 WeakPolarHBondContact CD2-O 3.3Å; Y158-N220 WeakPolarHBondContact CE2-O 3.33Å; R188-N220 WeakPolarHBondContact CD-O 3.45Å; R188-N220 PolarHBondContact NE-O 3.22Å; D218-N220 VanDerWaalsContact C-N 3.32Å; D218-N220 PolarHBondContact OD1-N 2.87Å; D218-N220 PolarHBondContact OD2-ND2 3.48Å
221	S	98.6	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-149.3	131.5	-171.6	-158.5	0	0	0	0	109.6	R188 L219 T244	R188-S221 PolarHBondContact NE-OG 2.8Å; R188-S221 VanDerWaalsContact NE-OG 3.17Å; R188-S221 PolarHBondContact NH2-OG 2.78Å; L219-S221 WeakPolarHBondContact O-CB 3.37Å; L219-S221 PolarHBondContact O-N 3.33Å; S221-T244 PolarHBondContact OG-OG1 2.92Å
222	P	98.6	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.124	C	C	.	.			trans	-65	168.1	172.8	-13.8	26.4	0	0	0	112.2	P160 W227 W242 T245 E291	P160-P222 HydrophobicContact CG-CG 3.55Å; P222-W227 HydrophobicContact CG-CZ2 4.48Å; P222-W242 HydrophobicContact CB-CD2 4.38Å; P222-W242 HydrophobicContact CB-CG 4.34Å; P222-W242 HydrophobicContact CG-CD2 4.15Å; P222-W242 HydrophobicContact CG-CZ2 3.8Å; P222-W242 VanDerWaalsContact O-CB 3.27Å; P222-W242 WeakPolarHBondContact O-CB 3.46Å; P222-T245 PolarHBondContact O-OG1 3.27Å; P222-E291 HydrophobicContact CB-CB 4.33Å; P222-E291 HydrophobicContact CB-CG 4.41Å; P222-E291 HydrophobicContact CG-CB 4.1Å; P222-E291 HydrophobicContact CG-CG 3.88Å
223	S	98.5	Very high	98.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.156	C	C	.	.			trans	-81.5	137	174.7	-171.4	0	0	0	0	111.5	L225 D226 W227 T245 R292	S223-L225 PolarHBondContact O-N 3.37Å; S223-L225 VanDerWaalsContact O-N 3.09Å; S223-L225 PolarHBondContact OG-N 3.26Å; S223-D226 WeakPolarHBondContact CB-OD2 3.27Å; S223-D226 WeakPolarHBondContact O-CB 3.42Å; S223-D226 PolarHBondContact O-N 2.88Å; S223-W227 PolarHBondContact O-N 3.15Å; S223-T245 WeakPolarHBondContact CA-OG1 3.33Å; S223-R292 PolarHBondContact OG-NH2 3.39Å
224	H	98.3	Very high	98.2	Very high	28 Å²	28	39.1 Å²	39.1	13%	0.13	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.5	166.8	66.4	-71	0	0	0	112.7	D226 A241 T245 L246 I249	H224-D226 VanDerWaalsContact C-N 3.33Å; H224-A241 HydrophobicContact CB-CB 4.3Å; H224-T245 PolarHBondContact N-OG1 2.9Å; H224-T245 WeakPolarHBondContact ND1-CB 3.38Å; H224-T245 PolarHBondContact ND1-OG1 2.77Å; H224-L246 HydrophobicContact CB-CB 4.46Å; H224-L246 PolarHBondContact ND1-N 3.48Å; H224-I249 WeakPolarHBondContact CE1-CG1 3.44Å
225	L	98.3	Very high	98.1	Very high	65 Å²	65	39.4 Å²	39.4	34%	0.34	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.7	173.3	-58.5	177.2	0	0	0	113.4	S223 T228 D255 R258	S223-L225 PolarHBondContact O-N 3.37Å; S223-L225 VanDerWaalsContact O-N 3.09Å; S223-L225 PolarHBondContact OG-N 3.26Å; L225-T228 WeakPolarHBondContact O-CG2 3.42Å; L225-D255 HydrophobicContact CD1-CB 4.3Å; L225-R258 HydrophobicContact CB-CG 4.12Å; L225-R258 HydrophobicContact CD1-CB 3.78Å; L225-R258 HydrophobicContact CD1-CG 3.92Å
226	D	98.6	Very high	97.9	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.048	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-15.3	-177.3	-59.9	-15.3	0	0	0	112.1	S223 H224 T231 N235 R258 R292	S223-D226 WeakPolarHBondContact CB-OD2 3.27Å; S223-D226 WeakPolarHBondContact O-CB 3.42Å; S223-D226 PolarHBondContact O-N 2.88Å; H224-D226 VanDerWaalsContact C-N 3.33Å; D226-T231 VanDerWaalsContact O-CB 3.3Å; D226-T231 WeakPolarHBondContact O-CB 3.2Å; D226-T231 WeakPolarHBondContact O-CG2 3.48Å; D226-T231 PolarHBondContact O-OG1 3.49Å; D226-N235 PolarHBondContact O-ND2 3.01Å; D226-R258 IonicContact OD1-CZ 3.78Å; D226-R258 IonicContact OD1-NE 3.97Å; D226-R258 PolarHBondContact OD1-NE 3.45Å; D226-R258 IonicContact OD1-NH2 3.57Å; D226-R258 PolarHBondContact OD1-NH2 2.91Å; D226-R258 IonicContact OD2-NH2 3.72Å; D226-R292 IonicContact OD1-CZ 2.87Å; D226-R292 IonicContact OD1-NE 3.76Å; D226-R292 IonicContact OD1-NH2 2.66Å; D226-R292 PolarHBondContact OD1-NH2 3.24Å; D226-R292 VanDerWaalsContact OD1-NH2 3.1Å; D226-R292 IonicContact OD2-CZ 3.52Å; D226-R292 VanDerWaalsContact OD2-CZ 3.29Å; D226-R292 IonicContact OD2-NE 3.75Å; D226-R292 PolarHBondContact OD2-NE 3.06Å; D226-R292 IonicContact OD2-NH2 3.12Å; D226-R292 PolarHBondContact OD2-NH2 2.67Å
227	W	98.2	Very high	97.8	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.008	22%	0.218	C	C	.	.	S	Bend	trans	-113	59.7	-178.1	-76.1	58.6	0	0	0	111.5	P160 A163 P222 S223 N235 W238 Y240 W242 E291	P160-W227 HydrophobicContact CB-CH2 4.27Å; P160-W227 HydrophobicContact CB-CZ2 4.11Å; P160-W227 HydrophobicContact CG-CH2 4.45Å; P160-W227 HydrophobicContact CG-CZ2 4Å; A163-W227 HydrophobicContact CB-CH2 3.71Å; A163-W227 HydrophobicContact CB-CZ3 3.61Å; P222-W227 HydrophobicContact CG-CZ2 4.48Å; S223-W227 PolarHBondContact O-N 3.15Å; W227-N235 WeakPolarHBondContact CA-ND2 3.26Å; W227-N235 VanDerWaalsContact CD1-ND2 3.32Å; W227-N235 HydrophobicContact CD2-CB 3.77Å; W227-N235 HydrophobicContact CE3-CB 3.74Å; W227-N235 HydrophobicContact CG-CB 4.4Å; W227-N235 HydrophobicContact CH2-CB 4.09Å; W227-N235 HydrophobicContact CZ2-CB 4.13Å; W227-N235 HydrophobicContact CZ3-CB 3.9Å; W227-W238 HydrophobicContact CE3-CB 4.08Å; W227-W238 HydrophobicContact CZ3-CB 3.93Å; W227-Y240 WeakPolarHBondContact CB-O 3.4Å; W227-Y240 PolarHBondContact O-N 2.66Å; W227-Y240 VanDerWaalsContact O-N 3.08Å; W227-W242 AromaticContact CD1-CD1 3.96Å; W227-W242 AromaticContact CD1-NE1 3.19Å; W227-W242 AromaticContact CD2-CE2 3.75Å; W227-W242 AromaticContact CD2-CZ2 3.67Å; W227-W242 HydrophobicContact CD2-CZ2 3.67Å; W227-W242 AromaticContact CD2-NE1 3.24Å; W227-W242 AromaticContact CE2-CE2 3.9Å; W227-W242 AromaticContact CE2-CZ2 3.62Å; W227-W242 AromaticContact CE2-NE1 3.56Å; W227-W242 AromaticContact CE3-CZ2 3.69Å; W227-W242 HydrophobicContact CE3-CZ2 3.69Å; W227-W242 AromaticContact CE3-NE1 3.93Å; W227-W242 AromaticContact CG-CD1 3.88Å; W227-W242 HydrophobicContact CG-CZ2 4.42Å; W227-W242 AromaticContact CG-NE1 3.04Å; W227-W242 HydrophobicContact CH2-CH2 4.44Å; W227-W242 AromaticContact CH2-CZ2 3.71Å; W227-W242 HydrophobicContact CH2-CZ2 3.71Å; W227-W242 AromaticContact CZ2-CZ2 3.66Å; W227-W242 HydrophobicContact CZ2-CZ2 3.66Å; W227-W242 HydrophobicContact CZ3-CH2 4.48Å; W227-W242 AromaticContact CZ3-CZ2 3.71Å; W227-W242 HydrophobicContact CZ3-CZ2 3.71Å; W227-W242 AromaticContact NE1-NE1 3.51Å; W227-E291 VanDerWaalsContact CZ2-OE1 3.26Å; W227-E291 WeakPolarHBondContact CZ2-OE1 3.34Å; W227-E291 PolarHBondContact NE1-OE1 3.25Å; W227-E291 PolarHBondContact NE1-OE2 2.85Å
228	T	98	Very high	97.8	Very high	40 Å²	40	49.3 Å²	49.3	25%	0.245	23%	0.227	C	C	.	.	S	Bend	trans	-102.6	179.3	-175.6	72.1	0	0	0	0	111.2	L225 D230 T231 K232	L225-T228 WeakPolarHBondContact O-CG2 3.42Å; T228-D230 PolarHBondContact O-N 3.35Å; T228-D230 PolarHBondContact OG1-N 3.1Å; T228-T231 PolarHBondContact N-OG1 2.88Å; T228-T231 PolarHBondContact O-N 2.96Å; T228-T231 PolarHBondContact O-OG1 2.93Å; T228-K232 PolarHBondContact O-N 2.74Å
229	R	98.1	Very high	97.8	Very high	207 Å²	207	53 Å²	53	78%	0.781	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-34.4	174.3	-173.6	176.1	-67.3	-177.7	0.1	112.4	K232 V239	R229-K232 WeakPolarHBondContact O-CB 3.4Å; R229-V239 HydrophobicContact CB-CG2 4.4Å
230	D	97.5	Very high	97.8	Very high	105 Å²	105	53.6 Å²	53.6	56%	0.561	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-26	-175.4	-59.6	-26.7	0	0	0	112.6	T228 W233 L265	T228-D230 PolarHBondContact O-N 3.35Å; T228-D230 PolarHBondContact OG1-N 3.1Å; D230-W233 PolarHBondContact O-NE1 3.38Å; D230-L265 HydrophobicContact CB-CD1 4.16Å
231	T	97.8	Very high	97.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-4.5	178.9	54.7	0	0	0	0	113.7	D226 T228 W233 K234 N235 P264 L265	D226-T231 VanDerWaalsContact O-CB 3.3Å; D226-T231 WeakPolarHBondContact O-CB 3.2Å; D226-T231 WeakPolarHBondContact O-CG2 3.48Å; D226-T231 PolarHBondContact O-OG1 3.49Å; T228-T231 PolarHBondContact N-OG1 2.88Å; T228-T231 PolarHBondContact O-N 2.96Å; T228-T231 PolarHBondContact O-OG1 2.93Å; T231-W233 PolarHBondContact O-N 3.31Å; T231-K234 WeakPolarHBondContact O-CG 3.42Å; T231-K234 PolarHBondContact O-N 2.96Å; T231-N235 PolarHBondContact O-N 3.06Å; T231-N235 PolarHBondContact OG1-ND2 3.35Å; T231-P264 HydrophobicContact CG2-CB 3.96Å; T231-P264 HydrophobicContact CG2-CG 3.65Å; T231-L265 HydrophobicContact CG2-CD2 3.81Å; T231-L265 HydrophobicContact CG2-CG 4.12Å
232	K	97.8	Very high	97.7	Very high	89 Å²	89	55.7 Å²	55.7	39%	0.387	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.9	-46.7	-178.1	-176.9	-175.6	-178.1	-166.7	0	114	T228 R229 K234 N235 D237 V239	T228-K232 PolarHBondContact O-N 2.74Å; R229-K232 WeakPolarHBondContact O-CB 3.4Å; K232-K234 VanDerWaalsContact C-N 3.29Å; K232-K234 PolarHBondContact O-N 3.1Å; K232-N235 CarbonylContact O-C 3.52Å; K232-N235 PolarHBondContact O-N 3.2Å; K232-N235 VanDerWaalsContact O-N 3.13Å; K232-D237 VanDerWaalsContact CE-C 3.47Å; K232-D237 WeakPolarHBondContact CE-O 3.21Å; K232-D237 VanDerWaalsContact O-CA 3.29Å; K232-D237 WeakPolarHBondContact O-CA 3.31Å; K232-D237 PolarHBondContact O-N 2.79Å; K232-V239 HydrophobicContact CB-CG2 4.1Å; K232-V239 HydrophobicContact CD-CG2 4.13Å; K232-V239 HydrophobicContact CG-CG2 4.16Å
233	W	96.4	Very high	97.7	Very high	181 Å²	181	56.3 Å²	56.3	69%	0.686	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.7	-174.7	67.3	-90.4	0	0	0	114	D230 T231	D230-W233 PolarHBondContact O-NE1 3.38Å; T231-W233 PolarHBondContact O-N 3.31Å
234	K	95.5	Very high	97.7	Very high	80 Å²	80	56.3 Å²	56.3	35%	0.348	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-17	175.2	61.7	165.6	-164.7	179.9	0	112.7	T231 K232 C236 P264	T231-K234 WeakPolarHBondContact O-CG 3.42Å; T231-K234 PolarHBondContact O-N 2.96Å; K232-K234 VanDerWaalsContact C-N 3.29Å; K232-K234 PolarHBondContact O-N 3.1Å; K234-C236 VanDerWaalsContact C-N 3.33Å; K234-C236 PolarHBondContact O-N 2.77Å; K234-P264 PolarHBondContact NZ-O 3.22Å
235	N	96.5	Very high	97.8	Very high	6 Å²	6	55 Å²	55	3%	0.032	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	45.3	-179.5	-63.2	-3.2	0	0	0	111	D226 W227 T231 K232 D237 W238	D226-N235 PolarHBondContact O-ND2 3.01Å; W227-N235 WeakPolarHBondContact CA-ND2 3.26Å; W227-N235 VanDerWaalsContact CD1-ND2 3.32Å; W227-N235 HydrophobicContact CD2-CB 3.77Å; W227-N235 HydrophobicContact CE3-CB 3.74Å; W227-N235 HydrophobicContact CG-CB 4.4Å; W227-N235 HydrophobicContact CH2-CB 4.09Å; W227-N235 HydrophobicContact CZ2-CB 4.13Å; W227-N235 HydrophobicContact CZ3-CB 3.9Å; T231-N235 PolarHBondContact O-N 3.06Å; T231-N235 PolarHBondContact OG1-ND2 3.35Å; K232-N235 CarbonylContact O-C 3.52Å; K232-N235 PolarHBondContact O-N 3.2Å; K232-N235 VanDerWaalsContact O-N 3.13Å; N235-D237 PolarHBondContact O-N 3.09Å; N235-D237 VanDerWaalsContact O-N 3.13Å; N235-W238 PolarHBondContact O-N 3.09Å
236	C	96	Very high	97.8	Very high	50 Å²	50	54.1 Å²	54.1	34%	0.338	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	36.6	174	-60.5	0	0	0	0	114.1	C164 K234 W238	C164-C236 VanDerWaalsContact CA-SG 3.54Å; C164-C236 HydrophobicContact CB-CB 3.89Å; C164-C236 WeakPolarHBondContact CB-SG 3.32Å; C164-C236 WeakPolarHBondContact SG-CB 3.27Å; C164-C236 CovalentContact SG-SG 2.04Å; C164-C236 PolarHBondContact SG-SG 2.89Å; K234-C236 VanDerWaalsContact C-N 3.33Å; K234-C236 PolarHBondContact O-N 2.77Å; C236-W238 VanDerWaalsContact C-N 3.27Å; C236-W238 PolarHBondContact O-N 3.06Å
237	D	96.8	Very high	97.8	Very high	112 Å²	112	55 Å²	55	60%	0.599	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	23.5	-177.7	-68	-50.5	0	0	0	115.6	K232 N235	K232-D237 VanDerWaalsContact CE-C 3.47Å; K232-D237 WeakPolarHBondContact CE-O 3.21Å; K232-D237 VanDerWaalsContact O-CA 3.29Å; K232-D237 WeakPolarHBondContact O-CA 3.31Å; K232-D237 PolarHBondContact O-N 2.79Å; N235-D237 PolarHBondContact O-N 3.09Å; N235-D237 VanDerWaalsContact O-N 3.13Å
238	W	98.2	Very high	97.8	Very high	45 Å²	45	55 Å²	55	17%	0.17	27%	0.268	C	S	.	.			trans	-104.2	139.2	175.6	-69.9	93.9	0	0	0	113.2	A163 V168 A171 I174 W227 N235 C236	A163-W238 HydrophobicContact CB-CG 4.35Å; A163-W238 VanDerWaalsContact O-CD1 3.27Å; A163-W238 PolarHBondContact O-NE1 3.25Å; V168-W238 HydrophobicContact CG1-CZ2 4.13Å; A171-W238 HydrophobicContact CB-CZ3 4.43Å; I174-W238 HydrophobicContact CD1-CD2 4.13Å; I174-W238 HydrophobicContact CD1-CE3 4.27Å; I174-W238 HydrophobicContact CD1-CZ2 4.43Å; I174-W238 HydrophobicContact CD1-CZ3 4.49Å; W227-W238 HydrophobicContact CE3-CB 4.08Å; W227-W238 HydrophobicContact CZ3-CB 3.93Å; N235-W238 PolarHBondContact O-N 3.09Å; C236-W238 VanDerWaalsContact C-N 3.27Å; C236-W238 PolarHBondContact O-N 3.06Å
239	V	98.3	Very high	97.8	Very high	78 Å²	78	55.6 Å²	55.6	47%	0.473	27%	0.269	S	S	.	.			trans	-106.8	117.7	154.1	179.7	0	0	0	0	105	R229 K232	R229-V239 HydrophobicContact CB-CG2 4.4Å; K232-V239 HydrophobicContact CB-CG2 4.1Å; K232-V239 HydrophobicContact CD-CG2 4.13Å; K232-V239 HydrophobicContact CG-CG2 4.16Å
240	Y	98.5	Very high	97.9	Very high	14 Å²	14	53.3 Å²	53.3	6%	0.055	27%	0.265	C	S	.	.			trans	-143.9	125.4	-170.6	-171.3	-95.5	0	0	0	110.9	A171 I174 D175 E178 W227 W242	A171-Y240 HydrophobicContact CB-CD2 4.3Å; A171-Y240 HydrophobicContact CB-CE2 4Å; I174-Y240 HydrophobicContact CB-CE2 4.05Å; I174-Y240 HydrophobicContact CD1-CD2 4.18Å; I174-Y240 HydrophobicContact CD1-CE2 4.25Å; I174-Y240 HydrophobicContact CG2-CE1 3.98Å; I174-Y240 HydrophobicContact CG2-CE2 4.12Å; D175-Y240 PolarHBondContact OD1-OH 2.76Å; E178-Y240 WeakPolarHBondContact CG-OH 3.41Å; W227-Y240 WeakPolarHBondContact CB-O 3.4Å; W227-Y240 PolarHBondContact O-N 2.66Å; W227-Y240 VanDerWaalsContact O-N 3.08Å; Y240-W242 AromaticContact CD1-CD2 3.53Å; Y240-W242 HydrophobicContact CD1-CD2 3.53Å; Y240-W242 AromaticContact CD1-CE2 3.72Å; Y240-W242 AromaticContact CD1-CE3 3.64Å; Y240-W242 HydrophobicContact CD1-CE3 3.64Å; Y240-W242 AromaticContact CD1-CG 3.98Å; Y240-W242 HydrophobicContact CD1-CG 3.98Å; Y240-W242 HydrophobicContact CD1-CH2 4.04Å; Y240-W242 HydrophobicContact CD1-CZ2 4.02Å; Y240-W242 AromaticContact CD1-CZ3 3.84Å; Y240-W242 HydrophobicContact CD1-CZ3 3.84Å; Y240-W242 AromaticContact CE1-CD2 3.75Å; Y240-W242 HydrophobicContact CE1-CD2 3.75Å; Y240-W242 AromaticContact CE1-CE3 3.36Å; Y240-W242 HydrophobicContact CE1-CE3 3.36Å; Y240-W242 HydrophobicContact CE1-CG 4.32Å; Y240-W242 HydrophobicContact CE1-CH2 4.17Å; Y240-W242 AromaticContact CE1-CZ3 3.55Å; Y240-W242 HydrophobicContact CE1-CZ3 3.55Å; Y240-W242 PolarHBondContact O-N 2.88Å
241	A	98.1	Very high	97.9	Very high	58 Å²	58	50.3 Å²	50.3	48%	0.479	25%	0.25	S	S	.	.			trans	-92.4	81.1	-177.4	0	0	0	0	0	109.9	H224 P243 L246	H224-A241 HydrophobicContact CB-CB 4.3Å; A241-P243 VanDerWaalsContact O-N 3.12Å; A241-L246 HydrophobicContact CB-CD2 4.22Å
242	W	98.8	Very high	97.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.265	C	S	.	.			trans	-43.7	115.9	-178.6	-64.3	102.2	0	0	0	112.3	G159 P160 I174 E178 P222 W227 Y240 T244 T245 L246	G159-W242 VanDerWaalsContact C-CH2 3.43Å; P160-W242 HydrophobicContact CG-CH2 4.17Å; P160-W242 HydrophobicContact CG-CZ2 4.13Å; I174-W242 HydrophobicContact CG2-CH2 4.06Å; I174-W242 HydrophobicContact CG2-CZ3 3.82Å; E178-W242 VanDerWaalsContact OE1-CZ3 3.3Å; E178-W242 WeakPolarHBondContact OE1-CZ3 3.17Å; P222-W242 HydrophobicContact CB-CD2 4.38Å; P222-W242 HydrophobicContact CB-CG 4.34Å; P222-W242 HydrophobicContact CG-CD2 4.15Å; P222-W242 HydrophobicContact CG-CZ2 3.8Å; P222-W242 VanDerWaalsContact O-CB 3.27Å; P222-W242 WeakPolarHBondContact O-CB 3.46Å; W227-W242 AromaticContact CD1-CD1 3.96Å; W227-W242 AromaticContact CD1-NE1 3.19Å; W227-W242 AromaticContact CD2-CE2 3.75Å; W227-W242 AromaticContact CD2-CZ2 3.67Å; W227-W242 HydrophobicContact CD2-CZ2 3.67Å; W227-W242 AromaticContact CD2-NE1 3.24Å; W227-W242 AromaticContact CE2-CE2 3.9Å; W227-W242 AromaticContact CE2-CZ2 3.62Å; W227-W242 AromaticContact CE2-NE1 3.56Å; W227-W242 AromaticContact CE3-CZ2 3.69Å; W227-W242 HydrophobicContact CE3-CZ2 3.69Å; W227-W242 AromaticContact CE3-NE1 3.93Å; W227-W242 AromaticContact CG-CD1 3.88Å; W227-W242 HydrophobicContact CG-CZ2 4.42Å; W227-W242 AromaticContact CG-NE1 3.04Å; W227-W242 HydrophobicContact CH2-CH2 4.44Å; W227-W242 AromaticContact CH2-CZ2 3.71Å; W227-W242 HydrophobicContact CH2-CZ2 3.71Å; W227-W242 AromaticContact CZ2-CZ2 3.66Å; W227-W242 HydrophobicContact CZ2-CZ2 3.66Å; W227-W242 HydrophobicContact CZ3-CH2 4.48Å; W227-W242 AromaticContact CZ3-CZ2 3.71Å; W227-W242 HydrophobicContact CZ3-CZ2 3.71Å; W227-W242 AromaticContact NE1-NE1 3.51Å; Y240-W242 AromaticContact CD1-CD2 3.53Å; Y240-W242 HydrophobicContact CD1-CD2 3.53Å; Y240-W242 AromaticContact CD1-CE2 3.72Å; Y240-W242 AromaticContact CD1-CE3 3.64Å; Y240-W242 HydrophobicContact CD1-CE3 3.64Å; Y240-W242 AromaticContact CD1-CG 3.98Å; Y240-W242 HydrophobicContact CD1-CG 3.98Å; Y240-W242 HydrophobicContact CD1-CH2 4.04Å; Y240-W242 HydrophobicContact CD1-CZ2 4.02Å; Y240-W242 AromaticContact CD1-CZ3 3.84Å; Y240-W242 HydrophobicContact CD1-CZ3 3.84Å; Y240-W242 AromaticContact CE1-CD2 3.75Å; Y240-W242 HydrophobicContact CE1-CD2 3.75Å; Y240-W242 AromaticContact CE1-CE3 3.36Å; Y240-W242 HydrophobicContact CE1-CE3 3.36Å; Y240-W242 HydrophobicContact CE1-CG 4.32Å; Y240-W242 HydrophobicContact CE1-CH2 4.17Å; Y240-W242 AromaticContact CE1-CZ3 3.55Å; Y240-W242 HydrophobicContact CE1-CZ3 3.55Å; Y240-W242 PolarHBondContact O-N 2.88Å; W242-T244 VanDerWaalsContact C-N 3.27Å; W242-T244 PolarHBondContact O-N 2.94Å; W242-T245 PolarHBondContact O-N 3.34Å; W242-T245 PolarHBondContact O-OG1 3.32Å; W242-L246 WeakPolarHBondContact O-CB 3.25Å; W242-L246 PolarHBondContact O-N 3.29Å
243	P	98.6	Very high	98	Very high	13 Å²	13	47.6 Å²	47.6	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-31.2	-169.5	23.3	-33.9	0	0	0	112.8	E178 W179 A189 A241 Q247	E178-P243 HydrophobicContact CB-CG 3.69Å; E178-P243 HydrophobicContact CG-CG 3.77Å; W179-P243 HydrophobicContact CZ2-CB 3.95Å; A189-P243 HydrophobicContact CB-CB 3.98Å; A189-P243 HydrophobicContact CB-CG 3.77Å; A241-P243 VanDerWaalsContact O-N 3.12Å; P243-Q247 WeakPolarHBondContact O-CB 3.46Å; P243-Q247 WeakPolarHBondContact O-CG 3.3Å; P243-Q247 PolarHBondContact O-N 2.77Å; P243-Q247 PolarHBondContact O-NE2 2.87Å
244	T	98.5	Very high	98.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-54.8	-60	176.3	-55.4	0	0	0	0	111.7	L153 I192 L219 S221 W242	L153-T244 HydrophobicContact CD1-CG2 3.37Å; I192-T244 HydrophobicContact CD1-CG2 4.47Å; I192-T244 HydrophobicContact CG1-CG2 3.57Å; L219-T244 HydrophobicContact CB-CG2 4.24Å; L219-T244 HydrophobicContact CD2-CG2 4.05Å; L219-T244 HydrophobicContact CG-CG2 4.36Å; S221-T244 PolarHBondContact OG-OG1 2.92Å; W242-T244 VanDerWaalsContact C-N 3.27Å; W242-T244 PolarHBondContact O-N 2.94Å
245	T	98.6	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-76.5	-30.2	-176.5	55.1	0	0	0	0	112.4	L219 P222 S223 H224 W242 Q247 L248 I249 M295 F297	L219-T245 HydrophobicContact CD2-CG2 3.68Å; P222-T245 PolarHBondContact O-OG1 3.27Å; S223-T245 WeakPolarHBondContact CA-OG1 3.33Å; H224-T245 PolarHBondContact N-OG1 2.9Å; H224-T245 WeakPolarHBondContact ND1-CB 3.38Å; H224-T245 PolarHBondContact ND1-OG1 2.77Å; W242-T245 PolarHBondContact O-N 3.34Å; W242-T245 PolarHBondContact O-OG1 3.32Å; T245-Q247 VanDerWaalsContact C-N 3.35Å; T245-Q247 PolarHBondContact O-N 2.92Å; T245-L248 PolarHBondContact O-N 3.01Å; T245-I249 PolarHBondContact O-N 2.79Å; T245-M295 HydrophobicContact CG2-CE 4.05Å; T245-M295 HydrophobicContact CG2-SD 3.88Å; T245-F297 HydrophobicContact CG2-CZ 3.97Å
246	L	98.7	Very high	98.4	Very high	47 Å²	47	40 Å²	40	25%	0.246	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-39.9	176.1	-179.3	63	0	0	0	112	H224 A241 W242 L248 I249 K250	H224-L246 HydrophobicContact CB-CB 4.46Å; H224-L246 PolarHBondContact ND1-N 3.48Å; A241-L246 HydrophobicContact CB-CD2 4.22Å; W242-L246 WeakPolarHBondContact O-CB 3.25Å; W242-L246 PolarHBondContact O-N 3.29Å; L246-L248 VanDerWaalsContact C-N 3.33Å; L246-L248 PolarHBondContact O-N 3.14Å; L246-I249 PolarHBondContact O-N 3.42Å; L246-K250 HydrophobicContact CG-CD 4.26Å; L246-K250 WeakPolarHBondContact O-CG 3.39Å; L246-K250 PolarHBondContact O-N 2.99Å
247	Q	98.7	Very high	98.5	Very high	29 Å²	29	38.5 Å²	38.5	14%	0.136	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-40.2	176.9	-76.8	176.1	87.7	0	0	112.2	A189 I192 S193 P243 T245 K250 V251	A189-Q247 PolarHBondContact O-NE2 2.85Å; I192-Q247 HydrophobicContact CG2-CB 3.56Å; I192-Q247 HydrophobicContact CG2-CG 4.44Å; S193-Q247 PolarHBondContact OG-OE1 3.26Å; P243-Q247 WeakPolarHBondContact O-CB 3.46Å; P243-Q247 WeakPolarHBondContact O-CG 3.3Å; P243-Q247 PolarHBondContact O-N 2.77Å; P243-Q247 PolarHBondContact O-NE2 2.87Å; T245-Q247 VanDerWaalsContact C-N 3.35Å; T245-Q247 PolarHBondContact O-N 2.92Å; Q247-K250 PolarHBondContact O-N 3.46Å; Q247-V251 PolarHBondContact O-N 3.13Å
248	L	98.8	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-44.6	176.7	-63.2	175.5	0	0	0	111.7	I192 V196 L215 L219 T245 L246 K250 V251 L253 F297	I192-L248 HydrophobicContact CD1-CD2 4.2Å; I192-L248 HydrophobicContact CG2-CD2 4Å; I192-L248 HydrophobicContact CG2-CG 4.19Å; V196-L248 HydrophobicContact CG1-CD2 4.17Å; L215-L248 HydrophobicContact CD1-CD2 3.96Å; L215-L248 HydrophobicContact CD2-CD1 4.12Å; L219-L248 HydrophobicContact CD2-CD1 3.89Å; T245-L248 PolarHBondContact O-N 3.01Å; L246-L248 VanDerWaalsContact C-N 3.33Å; L246-L248 PolarHBondContact O-N 3.14Å; L248-K250 VanDerWaalsContact C-N 3.34Å; L248-K250 PolarHBondContact O-N 2.91Å; L248-V251 WeakPolarHBondContact O-CG2 3.39Å; L248-V251 PolarHBondContact O-N 3.37Å; L248-L253 HydrophobicContact CB-CD1 3.89Å; L248-L253 HydrophobicContact CD2-CD1 3.68Å; L248-L253 HydrophobicContact CG-CD1 4.3Å; L248-L253 WeakPolarHBondContact O-CB 3.17Å; L248-L253 PolarHBondContact O-N 2.87Å; L248-F297 HydrophobicContact CB-CD1 4.4Å; L248-F297 HydrophobicContact CB-CE1 4.39Å; L248-F297 HydrophobicContact CD1-CD1 4.44Å; L248-F297 HydrophobicContact CD1-CD2 3.85Å; L248-F297 HydrophobicContact CD1-CE1 4.34Å; L248-F297 HydrophobicContact CD1-CE2 3.72Å; L248-F297 HydrophobicContact CD1-CG 4.22Å; L248-F297 HydrophobicContact CD1-CZ 3.99Å
249	I	98.5	Very high	98.6	Very high	54 Å²	54	35.7 Å²	35.7	28%	0.277	19%	0.19	S	C	.	.	H	α-helix	trans	-66.4	-36.7	176.9	-61.7	-52.6	0	0	0	111.7	H224 T245 L246 V251 G252 L253 F297	H224-I249 WeakPolarHBondContact CE1-CG1 3.44Å; T245-I249 PolarHBondContact O-N 2.79Å; L246-I249 PolarHBondContact O-N 3.42Å; I249-V251 VanDerWaalsContact C-N 3.27Å; I249-V251 PolarHBondContact O-N 3.44Å; I249-G252 WeakPolarHBondContact O-CA 3.49Å; I249-G252 PolarHBondContact O-N 2.83Å; I249-L253 WeakPolarHBondContact CD1-O 3.31Å; I249-F297 HydrophobicContact CD1-CD1 4.19Å; I249-F297 HydrophobicContact CD1-CE1 3.92Å
250	K	98.6	Very high	98.6	Very high	158 Å²	158	34.5 Å²	34.5	69%	0.687	18%	0.181	S	C	*	.	H	α-helix	trans	-61.9	-31.3	177.9	-79	175	175.7	176.9	0	113.5	L246 Q247 L248 G252	L246-K250 HydrophobicContact CG-CD 4.26Å; L246-K250 WeakPolarHBondContact O-CG 3.39Å; L246-K250 PolarHBondContact O-N 2.99Å; Q247-K250 PolarHBondContact O-N 3.46Å; L248-K250 VanDerWaalsContact C-N 3.34Å; L248-K250 PolarHBondContact O-N 2.91Å; K250-G252 PolarHBondContact O-N 3.19Å
251	V	98.6	Very high	98.6	Very high	43 Å²	43	35.8 Å²	35.8	26%	0.261	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	3.9	172.9	-58.6	0	0	0	0	113	V196 F201 L205 Q247 L248 I249 L253	V196-V251 HydrophobicContact CB-CG1 4.06Å; V196-V251 HydrophobicContact CG1-CG1 4.34Å; V196-V251 HydrophobicContact CG1-CG2 4.08Å; V196-V251 HydrophobicContact CG2-CG1 4.41Å; F201-V251 HydrophobicContact CE1-CG2 4.15Å; L205-V251 HydrophobicContact CD2-CB 4.04Å; Q247-V251 PolarHBondContact O-N 3.13Å; L248-V251 WeakPolarHBondContact O-CG2 3.39Å; L248-V251 PolarHBondContact O-N 3.37Å; I249-V251 VanDerWaalsContact C-N 3.27Å; I249-V251 PolarHBondContact O-N 3.44Å; V251-L253 HydrophobicContact CG2-CD1 4.48Å
252	G	98.4	Very high	98.6	Very high	29 Å²	29	37.7 Å²	37.7	30%	0.299	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	24	172.4	0	0	0	0	0	114.3	I249 K250 K299	I249-G252 WeakPolarHBondContact O-CA 3.49Å; I249-G252 PolarHBondContact O-N 2.83Å; K250-G252 PolarHBondContact O-N 3.19Å; G252-K299 PolarHBondContact O-NZ 3.27Å
253	L	98.8	Very high	98.5	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	21%	0.211	C	C	.	.			trans	-71	160.2	156.7	-71.5	166.4	0	0	0	109.6	F201 L213 L215 L248 I249 V251 F297 Y298 K299	F201-L253 HydrophobicContact CZ-CD1 3.92Å; F201-L253 HydrophobicContact CZ-CG 4.49Å; L213-L253 HydrophobicContact CD2-CD2 4.26Å; L213-L253 HydrophobicContact CG-CD2 4.43Å; L215-L253 HydrophobicContact CD1-CD1 4.49Å; L248-L253 HydrophobicContact CB-CD1 3.89Å; L248-L253 HydrophobicContact CD2-CD1 3.68Å; L248-L253 HydrophobicContact CG-CD1 4.3Å; L248-L253 WeakPolarHBondContact O-CB 3.17Å; L248-L253 PolarHBondContact O-N 2.87Å; I249-L253 WeakPolarHBondContact CD1-O 3.31Å; V251-L253 HydrophobicContact CG2-CD1 4.48Å; L253-F297 HydrophobicContact CB-CB 4.24Å; L253-F297 HydrophobicContact CB-CD1 4.36Å; L253-F297 HydrophobicContact CD1-CB 4.24Å; L253-F297 HydrophobicContact CD2-CB 4.38Å; L253-Y298 CarbonylContact C-O 3.51Å; L253-Y298 WeakPolarHBondContact CA-O 3.34Å; L253-K299 HydrophobicContact CD2-CB 3.97Å
254	K	98.7	Very high	98.5	Very high	100 Å²	100	40.8 Å²	40.8	44%	0.435	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140.5	174.9	-60.2	-173.7	-179	-177.9	0	110.4	S256 E259 F297 Y298	K254-S256 PolarHBondContact O-N 2.77Å; K254-E259 WeakPolarHBondContact CD-OE2 2.86Å; K254-E259 IonicContact NZ-OE2 2.73Å; K254-E259 PolarHBondContact NZ-OE2 3.47Å; K254-F297 CarbonylContact O-C 3.5Å; K254-F297 WeakPolarHBondContact O-CA 3.33Å; K254-Y298 HydrophobicContact CB-CD1 4.03Å; K254-Y298 HydrophobicContact CB-CE1 3.59Å; K254-Y298 HydrophobicContact CD-CE1 4.19Å; K254-Y298 HydrophobicContact CG-CE1 4.49Å; K254-Y298 PolarHBondContact N-O 3.07Å; K254-Y298 WeakPolarHBondContact O-CD1 3.47Å; K254-Y298 PolarHBondContact O-N 3.05Å
255	D	98.8	Very high	98.4	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.032	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	108.9	173.7	179.8	-20.2	0	0	0	109.1	L225 Y257 R258 E259 R292 F297	L225-D255 HydrophobicContact CD1-CB 4.3Å; D255-Y257 VanDerWaalsContact C-N 3.25Å; D255-Y257 PolarHBondContact O-N 2.8Å; D255-Y257 WeakPolarHBondContact OD1-CB 3.16Å; D255-Y257 PolarHBondContact OD1-N 3.33Å; D255-R258 HydrophobicContact CB-CB 4.1Å; D255-R258 PolarHBondContact O-N 3.22Å; D255-R258 PolarHBondContact OD1-N 3.09Å; D255-R258 VanDerWaalsContact OD1-N 3.1Å; D255-R258 WeakPolarHBondContact OD2-CG 3.46Å; D255-E259 WeakPolarHBondContact O-CB 3.12Å; D255-E259 PolarHBondContact O-N 3.31Å; D255-R292 VanDerWaalsContact CG-NH1 3.28Å; D255-R292 IonicContact OD1-NH1 2.88Å; D255-R292 PolarHBondContact OD1-NH1 3.39Å; D255-R292 IonicContact OD2-CZ 3.98Å; D255-R292 VanDerWaalsContact OD2-CZ 3.23Å; D255-R292 IonicContact OD2-NH1 3.49Å; D255-R292 PolarHBondContact OD2-NH1 2.75Å; D255-R292 IonicContact OD2-NH2 2.9Å; D255-R292 PolarHBondContact OD2-NH2 3.1Å; D255-F297 HydrophobicContact CB-CD1 4.18Å; D255-F297 HydrophobicContact CB-CE1 3.78Å; D255-F297 HydrophobicContact CB-CZ 4.44Å
256	S	98.8	Very high	98.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-33.4	-176.3	64.1	0	0	0	0	112.7	K254 I260 I296	K254-S256 PolarHBondContact O-N 2.77Å; S256-I260 PolarHBondContact O-N 3.09Å; S256-I296 VanDerWaalsContact CB-O 3.28Å; S256-I296 WeakPolarHBondContact CB-O 3.27Å; S256-I296 PolarHBondContact N-O 3.06Å; S256-I296 PolarHBondContact OG-O 2.67Å
257	Y	98.8	Very high	98.3	Very high	20 Å²	20	49.8 Å²	49.8	8%	0.078	26%	0.259	C	S	.	.	H	α-helix	trans	-71	-45	-179.9	-170.2	-83.2	0	0	0	110.7	D255 E259 I260 Y261 Q267 G269 V308 V310	D255-Y257 VanDerWaalsContact C-N 3.25Å; D255-Y257 PolarHBondContact O-N 2.8Å; D255-Y257 WeakPolarHBondContact OD1-CB 3.16Å; D255-Y257 PolarHBondContact OD1-N 3.33Å; Y257-E259 VanDerWaalsContact C-N 3.33Å; Y257-I260 PolarHBondContact O-N 3.47Å; Y257-Y261 HydrophobicContact CD1-CD2 4.17Å; Y257-Y261 HydrophobicContact CD2-CD2 4.17Å; Y257-Y261 HydrophobicContact CD2-CE2 4.48Å; Y257-Y261 AromaticContact CE1-CD2 3.8Å; Y257-Y261 HydrophobicContact CE1-CD2 3.8Å; Y257-Y261 HydrophobicContact CE1-CG 4.37Å; Y257-Y261 AromaticContact CE2-CD2 3.8Å; Y257-Y261 HydrophobicContact CE2-CD2 3.8Å; Y257-Y261 HydrophobicContact CE2-CE2 4Å; Y257-Y261 HydrophobicContact CG-CD2 4.33Å; Y257-Y261 AromaticContact CZ-CD2 3.59Å; Y257-Y261 PolarHBondContact O-N 2.88Å; Y257-Q267 WeakPolarHBondContact CE1-O 3.46Å; Y257-G269 WeakPolarHBondContact OH-CA 3.36Å; Y257-G269 PolarHBondContact OH-N 2.86Å; Y257-V308 HydrophobicContact CD2-CB 4.16Å; Y257-V308 HydrophobicContact CD2-CG1 3.64Å; Y257-V308 HydrophobicContact CG-CG1 4.39Å; Y257-V310 HydrophobicContact CE2-CG2 3.98Å
258	R	98.5	Very high	98.2	Very high	15 Å²	15	49.2 Å²	49.2	6%	0.057	26%	0.257	C	S	.	.	H	α-helix	trans	-74.5	-21.1	178.3	-75	-73.2	168	-118.3	-10.4	114	L225 D226 D255 Y261 P262 Q267 P268	L225-R258 HydrophobicContact CB-CG 4.12Å; L225-R258 HydrophobicContact CD1-CB 3.78Å; L225-R258 HydrophobicContact CD1-CG 3.92Å; D226-R258 IonicContact OD1-CZ 3.78Å; D226-R258 IonicContact OD1-NE 3.97Å; D226-R258 PolarHBondContact OD1-NE 3.45Å; D226-R258 IonicContact OD1-NH2 3.57Å; D226-R258 PolarHBondContact OD1-NH2 2.91Å; D226-R258 IonicContact OD2-NH2 3.72Å; D255-R258 HydrophobicContact CB-CB 4.1Å; D255-R258 PolarHBondContact O-N 3.22Å; D255-R258 PolarHBondContact OD1-N 3.09Å; D255-R258 VanDerWaalsContact OD1-N 3.1Å; D255-R258 WeakPolarHBondContact OD2-CG 3.46Å; R258-Y261 WeakPolarHBondContact CD-O 3.14Å; R258-Y261 PolarHBondContact NH1-O 3.4Å; R258-Y261 CarbonylContact O-C 3.44Å; R258-P262 VanDerWaalsContact O-CA 3.25Å; R258-P262 WeakPolarHBondContact O-CA 3.22Å; R258-Q267 PolarHBondContact NH1-O 3.48Å; R258-Q267 PolarHBondContact NH2-O 3.28Å; R258-P268 PolarHBondContact NH2-O 3.38Å
259	E	98.2	Very high	98.2	Very high	82 Å²	82	49.5 Å²	49.5	38%	0.383	26%	0.26	S	S	.	.	H	α-helix	trans	-68.4	-41	169.2	-172.5	161.7	131.6	0	0	111.6	K254 D255 Y257 Y298 P305	K254-E259 WeakPolarHBondContact CD-OE2 2.86Å; K254-E259 IonicContact NZ-OE2 2.73Å; K254-E259 PolarHBondContact NZ-OE2 3.47Å; D255-E259 WeakPolarHBondContact O-CB 3.12Å; D255-E259 PolarHBondContact O-N 3.31Å; Y257-E259 VanDerWaalsContact C-N 3.33Å; E259-Y298 PolarHBondContact OE1-OH 2.88Å; E259-Y298 PolarHBondContact OE2-OH 2.92Å; E259-Y298 VanDerWaalsContact OE2-OH 3.06Å; E259-P305 HydrophobicContact CB-CG 4.26Å; E259-P305 HydrophobicContact CG-CG 4.25Å
260	I	98.2	Very high	98.2	Very high	53 Å²	53	48.8 Å²	48.8	27%	0.272	26%	0.257	S	S	.	.	H	α-helix	trans	-77.5	-39.5	176.3	-63.8	-55.3	0	0	0	112.3	S256 Y257 P262 P305 V308	S256-I260 PolarHBondContact O-N 3.09Å; Y257-I260 PolarHBondContact O-N 3.47Å; I260-P262 WeakPolarHBondContact O-CD 3.37Å; I260-P305 HydrophobicContact CD1-CB 4.13Å; I260-P305 HydrophobicContact CD1-CG 4.2Å; I260-P305 HydrophobicContact CG1-CB 4.02Å; I260-P305 HydrophobicContact CG1-CG 4.28Å; I260-V308 HydrophobicContact CG1-CG2 3.97Å
261	Y	98.2	Very high	98.2	Very high	41 Å²	41	41.3 Å²	41.3	16%	0.161	22%	0.224	C	C	.	.			trans	-125.2	81.3	-177.8	-51.3	-68	0	0	0	111.6	Y257 R258 N263 Q267 V308	Y257-Y261 HydrophobicContact CD1-CD2 4.17Å; Y257-Y261 HydrophobicContact CD2-CD2 4.17Å; Y257-Y261 HydrophobicContact CD2-CE2 4.48Å; Y257-Y261 AromaticContact CE1-CD2 3.8Å; Y257-Y261 HydrophobicContact CE1-CD2 3.8Å; Y257-Y261 HydrophobicContact CE1-CG 4.37Å; Y257-Y261 AromaticContact CE2-CD2 3.8Å; Y257-Y261 HydrophobicContact CE2-CD2 3.8Å; Y257-Y261 HydrophobicContact CE2-CE2 4Å; Y257-Y261 HydrophobicContact CG-CD2 4.33Å; Y257-Y261 AromaticContact CZ-CD2 3.59Å; Y257-Y261 PolarHBondContact O-N 2.88Å; R258-Y261 WeakPolarHBondContact CD-O 3.14Å; R258-Y261 PolarHBondContact NH1-O 3.4Å; R258-Y261 CarbonylContact O-C 3.44Å; Y261-N263 PolarHBondContact O-N 3.46Å; Y261-Q267 HydrophobicContact CD1-CB 4.2Å; Y261-Q267 HydrophobicContact CD1-CG 3.74Å; Y261-Q267 HydrophobicContact CE1-CG 4.37Å; Y261-Q267 HydrophobicContact CG-CB 3.94Å; Y261-Q267 HydrophobicContact CG-CG 4.01Å; Y261-V308 VanDerWaalsContact CE2-O 3.28Å; Y261-V308 WeakPolarHBondContact CE2-O 3.43Å; Y261-V308 PolarHBondContact OH-O 2.97Å
262	P	98	Very high	98.2	Very high	98 Å²	98	41 Å²	41	64%	0.636	22%	0.219	S	C	*	.			trans	-64.3	-25.2	-172.5	-24.9	35	0	0	0	114.9	R258 I260 P264	R258-P262 VanDerWaalsContact O-CA 3.25Å; R258-P262 WeakPolarHBondContact O-CA 3.22Å; I260-P262 WeakPolarHBondContact O-CD 3.37Å; P262-P264 VanDerWaalsContact O-CD 3.32Å; P262-P264 WeakPolarHBondContact O-CD 3.44Å
263	N	97.8	Very high	98.1	Very high	68 Å²	68	39.6 Å²	39.6	36%	0.364	20%	0.204	S	C	.	.			trans	-94.8	110.9	-174.3	-175.9	-8.8	0	0	0	111.9	Y261 L265 T266 Q267	Y261-N263 PolarHBondContact O-N 3.46Å; N263-L265 PolarHBondContact O-N 3.49Å; N263-L265 WeakPolarHBondContact OD1-CB 3.47Å; N263-L265 PolarHBondContact OD1-N 3.07Å; N263-T266 WeakPolarHBondContact CB-OG1 3.37Å; N263-T266 PolarHBondContact ND2-OG1 3.47Å; N263-T266 PolarHBondContact O-N 3.33Å; N263-Q267 PolarHBondContact O-N 3.41Å; N263-Q267 VanDerWaalsContact O-N 3.15Å
264	P	97.7	Very high	98	Very high	11 Å²	11	39.6 Å²	39.6	7%	0.071	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-9.7	-179.8	31.9	-38.3	0	0	0	114.6	T231 K234 P262 P268	T231-P264 HydrophobicContact CG2-CB 3.96Å; T231-P264 HydrophobicContact CG2-CG 3.65Å; K234-P264 PolarHBondContact NZ-O 3.22Å; P262-P264 VanDerWaalsContact O-CD 3.32Å; P262-P264 WeakPolarHBondContact O-CD 3.44Å; P264-P268 WeakPolarHBondContact O-CA 3.12Å
265	L	96.8	Very high	97.9	Very high	74 Å²	74	34.9 Å²	34.9	39%	0.387	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-43.5	174.8	-67.1	171.5	0	0	0	111.8	D230 T231 N263	D230-L265 HydrophobicContact CB-CD1 4.16Å; T231-L265 HydrophobicContact CG2-CD2 3.81Å; T231-L265 HydrophobicContact CG2-CG 4.12Å; N263-L265 PolarHBondContact O-N 3.49Å; N263-L265 WeakPolarHBondContact OD1-CB 3.47Å; N263-L265 PolarHBondContact OD1-N 3.07Å
266	T	97.4	Very high	97.8	Very high	89 Å²	89	37.2 Å²	37.2	55%	0.546	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-28.8	-175.4	47.7	0	0	0	0	112.9	N263	N263-T266 WeakPolarHBondContact CB-OG1 3.37Å; N263-T266 PolarHBondContact ND2-OG1 3.47Å; N263-T266 PolarHBondContact O-N 3.33Å
267	Q	98	Very high	97.6	Very high	73 Å²	73	41.6 Å²	41.6	34%	0.341	21%	0.211	S	C	.	.			trans	-134.6	78.3	175.4	-70.8	86.9	-0.5	0	0	108.9	Y257 R258 Y261 N263 G269	Y257-Q267 WeakPolarHBondContact CE1-O 3.46Å; R258-Q267 PolarHBondContact NH1-O 3.48Å; R258-Q267 PolarHBondContact NH2-O 3.28Å; Y261-Q267 HydrophobicContact CD1-CB 4.2Å; Y261-Q267 HydrophobicContact CD1-CG 3.74Å; Y261-Q267 HydrophobicContact CE1-CG 4.37Å; Y261-Q267 HydrophobicContact CG-CB 3.94Å; Y261-Q267 HydrophobicContact CG-CG 4.01Å; N263-Q267 PolarHBondContact O-N 3.41Å; N263-Q267 VanDerWaalsContact O-N 3.15Å; Q267-G269 VanDerWaalsContact C-N 3.31Å; Q267-G269 PolarHBondContact O-N 3Å
268	P	97.5	Very high	97.4	Very high	16 Å²	16	41.4 Å²	41.4	10%	0.104	22%	0.216	C	C	.	.			trans	-64.6	-35.4	-175.1	25.8	-34.8	0	0	0	112.4	R258 P264 L270	R258-P268 PolarHBondContact NH2-O 3.38Å; P264-P268 WeakPolarHBondContact O-CA 3.12Å; P268-L270 HydrophobicContact CB-CD1 4.48Å; P268-L270 HydrophobicContact CB-CD2 3.79Å; P268-L270 HydrophobicContact CB-CG 3.89Å; P268-L270 HydrophobicContact CG-CD1 4.48Å; P268-L270 HydrophobicContact CG-CG 4.15Å
269	G	97.9	Very high	97.1	Very high	6 Å²	6	42.8 Å²	42.8	6%	0.062	22%	0.223	C	C	.	.			trans	70.6	34.3	176.9	0	0	0	0	0	113.6	Y257 Q267 T271 R292	Y257-G269 WeakPolarHBondContact OH-CA 3.36Å; Y257-G269 PolarHBondContact OH-N 2.86Å; Q267-G269 VanDerWaalsContact C-N 3.31Å; Q267-G269 PolarHBondContact O-N 3Å; G269-T271 PolarHBondContact O-N 3.37Å; G269-R292 VanDerWaalsContact O-CB 3.23Å; G269-R292 WeakPolarHBondContact O-CB 3.08Å; G269-R292 VanDerWaalsContact O-CD 3.31Å; G269-R292 WeakPolarHBondContact O-CD 3.38Å; G269-R292 WeakPolarHBondContact O-CG 3.47Å
270	L	98.2	Very high	96.6	Very high	40 Å²	40	46.3 Å²	46.3	21%	0.209	24%	0.239	C	C	.	.			trans	-61.6	131.4	-175.5	-49.5	178.6	0	0	0	110.7	P268 Q290	P268-L270 HydrophobicContact CB-CD1 4.48Å; P268-L270 HydrophobicContact CB-CD2 3.79Å; P268-L270 HydrophobicContact CB-CG 3.89Å; P268-L270 HydrophobicContact CG-CD1 4.48Å; P268-L270 HydrophobicContact CG-CG 4.15Å; L270-Q290 HydrophobicContact CD1-CB 3.74Å; L270-Q290 VanDerWaalsContact CD2-O 3.31Å; L270-Q290 WeakPolarHBondContact CD2-O 3.32Å
271	T	98.7	Very high	96.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.265	C	S	.	.			trans	-119.3	-23.7	180	65.3	0	0	0	0	112.6	G269 E291 R292 I293 D294 V310 H332 Y333 V335	G269-T271 PolarHBondContact O-N 3.37Å; T271-E291 PolarHBondContact N-O 3.48Å; T271-R292 HydrophobicContact CG2-CG 4.39Å; T271-I293 PolarHBondContact OG1-N 3.26Å; T271-D294 WeakPolarHBondContact CB-OD2 3.37Å; T271-D294 HydrophobicContact CG2-CB 4.02Å; T271-D294 PolarHBondContact OG1-N 2.73Å; T271-D294 PolarHBondContact OG1-OD2 3.06Å; T271-V310 HydrophobicContact CG2-CG1 4.36Å; T271-V310 HydrophobicContact CG2-CG2 4.32Å; T271-H332 WeakPolarHBondContact O-CA 3.47Å; T271-Y333 WeakPolarHBondContact O-CD2 3.44Å; T271-Y333 PolarHBondContact O-N 2.89Å; T271-V335 HydrophobicContact CG2-CG2 3.54Å
272	W	98.4	Very high	95.7	Very high	36 Å²	36	52.3 Å²	52.3	14%	0.136	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-102.2	124.6	169.6	-176.3	-113.6	0	0	0	109.8	R276 E288 Q290 E291 I293 D331 H332	W272-R276 HydrophobicContact CH2-CG 4.23Å; W272-R276 HydrophobicContact CZ2-CB 4.43Å; W272-R276 HydrophobicContact CZ2-CG 4.32Å; W272-E288 PolarHBondContact NE1-OE1 2.85Å; W272-Q290 CarbonylContact O-C 3.57Å; W272-Q290 WeakPolarHBondContact O-CA 3.32Å; W272-Q290 WeakPolarHBondContact O-CB 3.33Å; W272-Q290 PolarHBondContact O-OE1 2.87Å; W272-E291 PolarHBondContact N-O 3.19Å; W272-E291 PolarHBondContact O-N 3.24Å; W272-E291 VanDerWaalsContact O-N 3.09Å; W272-I293 HydrophobicContact CB-CD1 3.55Å; W272-I293 HydrophobicContact CB-CG1 3.83Å; W272-I293 HydrophobicContact CD2-CD1 4.2Å; W272-I293 HydrophobicContact CE3-CD1 4.37Å; W272-I293 HydrophobicContact CG-CD1 3.88Å; W272-D331 HydrophobicContact CZ3-CB 4.3Å; W272-H332 AromaticContact CE3-CD2 3.75Å; W272-H332 AromaticContact CE3-CE1 3.64Å; W272-H332 AromaticContact CE3-NE2 3.36Å; W272-H332 AromaticContact CZ3-CD2 3.65Å; W272-H332 AromaticContact CZ3-NE2 3.26Å; W272-H332 VanDerWaalsContact CZ3-NE2 3.26Å; W272-H332 WeakPolarHBondContact CZ3-NE2 3.49Å
273	S	96.9	Very high	95.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.294	C	S	.	.			cis	-125.4	150	-10.5	170.9	0	0	0	0	109	V275 R276 K277 Q290 D331	S273-V275 PolarHBondContact OG-N 2.75Å; S273-R276 PolarHBondContact OG-N 3.36Å; S273-K277 PolarHBondContact O-NZ 3.29Å; S273-Q290 PolarHBondContact O-OE1 2.89Å; S273-D331 CarbonylContact C-O 3.5Å; S273-D331 VanDerWaalsContact CA-O 3.27Å; S273-D331 WeakPolarHBondContact CA-O 3.2Å; S273-D331 WeakPolarHBondContact CB-O 3.44Å; S273-D331 PolarHBondContact OG-O 2.86Å
274	T	96.9	Very high	94.6	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.018	30%	0.303	C	S	.	.	S	Bend	trans	-67.2	-37.3	173.3	60.1	0	0	0	0	111.9	K277 I317 S330 D331 Y333	T274-K277 WeakPolarHBondContact O-CE 3.16Å; T274-I317 HydrophobicContact CG2-CD1 3.71Å; T274-S330 PolarHBondContact OG1-O 3.17Å; T274-D331 PolarHBondContact N-O 3.35Å; T274-D331 WeakPolarHBondContact OG1-CA 3.29Å; T274-D331 PolarHBondContact OG1-O 3.46Å; T274-Y333 HydrophobicContact CG2-CD1 3.94Å; T274-Y333 HydrophobicContact CG2-CD2 3.38Å; T274-Y333 HydrophobicContact CG2-CE1 4.02Å; T274-Y333 HydrophobicContact CG2-CE2 3.48Å; T274-Y333 VanDerWaalsContact CG2-CE2 3.48Å; T274-Y333 HydrophobicContact CG2-CG 3.61Å
275	V	97	Very high	94.3	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.006	33%	0.33	C	S	.	.	S	Bend	trans	-117	-26.8	-170.9	-60.7	0	0	0	0	114.5	W46 S273 K277 I317 P319 Y320 H323 D331	W46-V275 HydrophobicContact CH2-CG2 3.9Å; W46-V275 HydrophobicContact CZ3-CG2 4.19Å; S273-V275 PolarHBondContact OG-N 2.75Å; V275-K277 PolarHBondContact O-N 2.59Å; V275-I317 HydrophobicContact CG1-CG2 3.66Å; V275-P319 WeakPolarHBondContact O-CA 3.39Å; V275-P319 WeakPolarHBondContact O-CB 3.44Å; V275-Y320 PolarHBondContact O-N 2.63Å; V275-H323 HydrophobicContact CB-CB 4.29Å; V275-H323 HydrophobicContact CG1-CB 3.86Å; V275-D331 HydrophobicContact CG2-CB 3.48Å; V275-D331 VanDerWaalsContact CG2-CB 3.48Å
276	R	95.3	Very high	94.1	Very high	55 Å²	55	58.5 Å²	58.5	21%	0.208	33%	0.326	C	S	.	.			trans	-85.5	109.1	176.3	-60.5	-67	-172.7	167.1	5.3	109.6	W272 S273 E288 Q290	W272-R276 HydrophobicContact CH2-CG 4.23Å; W272-R276 HydrophobicContact CZ2-CB 4.43Å; W272-R276 HydrophobicContact CZ2-CG 4.32Å; S273-R276 PolarHBondContact OG-N 3.36Å; R276-E288 HydrophobicContact CB-CG 4.16Å; R276-Q290 PolarHBondContact O-NE2 3Å
277	K	94.7	Very high	94	Very high	92 Å²	92	58.9 Å²	58.9	40%	0.4	33%	0.33	S	S	.	.			trans	-110.1	-12.8	179.4	-57.6	-55.9	177.5	-169.2	0	113.8	S273 T274 V275 E288 P319	S273-K277 PolarHBondContact O-NZ 3.29Å; T274-K277 WeakPolarHBondContact O-CE 3.16Å; V275-K277 PolarHBondContact O-N 2.59Å; K277-E288 PolarHBondContact O-N 3.24Å; K277-E288 VanDerWaalsContact O-N 3.09Å; K277-P319 HydrophobicContact CG-CB 4.04Å; K277-P319 HydrophobicContact CG-CG 4.07Å
278	G	94.8	Very high	93.9	Very high	16 Å²	16	55.9 Å²	55.9	17%	0.165	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-141.1	155.5	169.7	0	0	0	0	0	110.9	I286	G278-I286 CarbonylContact C-O 3.51Å; G278-I286 WeakPolarHBondContact CA-O 3.27Å
279	Q	92.3	Very high	93.8	Very high	44 Å²	44	56 Å²	56	21%	0.206	32%	0.317	C	S	.	.			trans	-62.3	144.1	179.3	-67.7	-176.3	19.3	0	0	111	Y161 W282 I286 E288	Y161-Q279 HydrophobicContact CD1-CG 4.44Å; Y161-Q279 HydrophobicContact CE1-CG 3.99Å; Q279-W282 PolarHBondContact O-N 2.88Å; Q279-I286 HydrophobicContact CB-CB 4.32Å; Q279-I286 HydrophobicContact CB-CG2 4.33Å; Q279-I286 HydrophobicContact CG-CB 4.48Å; Q279-I286 HydrophobicContact CG-CG2 3.97Å; Q279-I286 PolarHBondContact N-O 2.71Å; Q279-E288 WeakPolarHBondContact CG-OE2 3.35Å
280	E	87.3	Confident	93.8	Very high	156 Å²	156	58 Å²	58	73%	0.729	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	144.9	178.6	-173.6	168.3	-163.7	0	0	111.9	W282	E280-W282 VanDerWaalsContact O-CD1 3.23Å; E280-W282 PolarHBondContact O-N 3.07Å
281	G	88.8	Confident	93.8	Very high	79 Å²	79	56.7 Å²	56.7	81%	0.814	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-11.8	179.5	0	0	0	0	0	115.2
282	W	89.7	Confident	93.8	Very high	142 Å²	142	56.9 Å²	56.9	54%	0.538	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	12.4	-177.1	-65	98	0	0	0	114.6	Q279 E280 G284 T285 I286	Q279-W282 PolarHBondContact O-N 2.88Å; E280-W282 VanDerWaalsContact O-CD1 3.23Å; E280-W282 PolarHBondContact O-N 3.07Å; W282-G284 PolarHBondContact O-N 3.4Å; W282-T285 WeakPolarHBondContact O-CB 3.35Å; W282-T285 WeakPolarHBondContact O-CG2 2.98Å; W282-T285 PolarHBondContact O-N 3.24Å; W282-T285 PolarHBondContact O-OG1 2.64Å; W282-I286 HydrophobicContact CB-CB 4.21Å; W282-I286 HydrophobicContact CB-CD1 4.29Å; W282-I286 HydrophobicContact CB-CG1 4.02Å; W282-I286 HydrophobicContact CD2-CD1 3.47Å; W282-I286 VanDerWaalsContact CD2-CD1 3.47Å; W282-I286 HydrophobicContact CD2-CG1 4.07Å; W282-I286 HydrophobicContact CE3-CD1 3.95Å; W282-I286 HydrophobicContact CE3-CG1 4.38Å; W282-I286 HydrophobicContact CG-CB 4.34Å; W282-I286 HydrophobicContact CG-CD1 3.61Å; W282-I286 HydrophobicContact CG-CG1 3.9Å; W282-I286 HydrophobicContact CZ2-CD1 4.27Å
283	N	85.8	Confident	93.8	Very high	162 Å²	162	55.2 Å²	55.2	87%	0.866	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	38.8	178.9	-163.5	38.1	0	0	0	113.7	T285	N283-T285 VanDerWaalsContact C-N 3.26Å; N283-T285 PolarHBondContact O-N 3.2Å
284	G	86.2	Confident	93.9	Very high	53 Å²	53	55.2 Å²	55.2	55%	0.546	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	2	-179	0	0	0	0	0	116	W282	W282-G284 PolarHBondContact O-N 3.4Å
285	T	91.5	Very high	94	Very high	107 Å²	107	55.2 Å²	55.2	66%	0.656	31%	0.312	S	S	*	.	S	Bend	trans	-75.6	-25.3	-177.6	60.4	0	0	0	0	113.8	W282 N283	W282-T285 WeakPolarHBondContact O-CB 3.35Å; W282-T285 WeakPolarHBondContact O-CG2 2.98Å; W282-T285 PolarHBondContact O-N 3.24Å; W282-T285 PolarHBondContact O-OG1 2.64Å; N283-T285 VanDerWaalsContact C-N 3.26Å; N283-T285 PolarHBondContact O-N 3.2Å
286	I	93.6	Very high	94.1	Very high	58 Å²	58	55.2 Å²	55.2	30%	0.297	31%	0.312	S	S	.	.	S	Bend	trans	-103.1	117.7	169	-57.7	-175	0	0	0	107.3	G278 Q279 W282	G278-I286 CarbonylContact C-O 3.51Å; G278-I286 WeakPolarHBondContact CA-O 3.27Å; Q279-I286 HydrophobicContact CB-CB 4.32Å; Q279-I286 HydrophobicContact CB-CG2 4.33Å; Q279-I286 HydrophobicContact CG-CB 4.48Å; Q279-I286 HydrophobicContact CG-CG2 3.97Å; Q279-I286 PolarHBondContact N-O 2.71Å; W282-I286 HydrophobicContact CB-CB 4.21Å; W282-I286 HydrophobicContact CB-CD1 4.29Å; W282-I286 HydrophobicContact CB-CG1 4.02Å; W282-I286 HydrophobicContact CD2-CD1 3.47Å; W282-I286 VanDerWaalsContact CD2-CD1 3.47Å; W282-I286 HydrophobicContact CD2-CG1 4.07Å; W282-I286 HydrophobicContact CE3-CD1 3.95Å; W282-I286 HydrophobicContact CE3-CG1 4.38Å; W282-I286 HydrophobicContact CG-CB 4.34Å; W282-I286 HydrophobicContact CG-CD1 3.61Å; W282-I286 HydrophobicContact CG-CG1 3.9Å; W282-I286 HydrophobicContact CZ2-CD1 4.27Å
287	P	94.3	Very high	94.3	Very high	98 Å²	98	52.6 Å²	52.6	64%	0.636	30%	0.302	S	S	*	.	B	Isolated β-bridge	trans	-60.2	145	177.3	-24.3	34.4	0	0	0	112.5
288	E	96.2	Very high	94.5	Very high	9 Å²	9	48.3 Å²	48.3	4%	0.042	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-78.9	121.8	172	-178.1	55.7	-146.8	0	0	109	Y161 W272 R276 K277 Q279 Q290	Y161-E288 WeakPolarHBondContact CE1-OE1 3.21Å; Y161-E288 PolarHBondContact OH-OE1 3.02Å; Y161-E288 PolarHBondContact OH-OE2 3.01Å; W272-E288 PolarHBondContact NE1-OE1 2.85Å; R276-E288 HydrophobicContact CB-CG 4.16Å; K277-E288 PolarHBondContact O-N 3.24Å; K277-E288 VanDerWaalsContact O-N 3.09Å; Q279-E288 WeakPolarHBondContact CG-OE2 3.35Å; E288-Q290 PolarHBondContact O-N 3.14Å; E288-Q290 VanDerWaalsContact O-N 3.09Å; E288-Q290 PolarHBondContact O-NE2 3.47Å
289	P	96.1	Very high	94.6	Very high	18 Å²	18	50.2 Å²	50.2	12%	0.117	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-54.5	118.4	172.8	-23.1	34.7	0	0	0	109.9	P160 Y161 E291	P160-P289 HydrophobicContact CB-CB 3.74Å; P160-P289 HydrophobicContact CB-CG 4.02Å; Y161-P289 HydrophobicContact CD1-CG 3.97Å; Y161-P289 HydrophobicContact CE1-CG 4.16Å; P289-E291 HydrophobicContact CB-CG 4.44Å
290	Q	97.1	Very high	94.8	Very high	48 Å²	48	49.2 Å²	49.2	22%	0.224	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-93.9	117.5	178.3	-58.7	-68.6	-77	0	0	108.2	L270 W272 S273 R276 E288	L270-Q290 HydrophobicContact CD1-CB 3.74Å; L270-Q290 VanDerWaalsContact CD2-O 3.31Å; L270-Q290 WeakPolarHBondContact CD2-O 3.32Å; W272-Q290 CarbonylContact O-C 3.57Å; W272-Q290 WeakPolarHBondContact O-CA 3.32Å; W272-Q290 WeakPolarHBondContact O-CB 3.33Å; W272-Q290 PolarHBondContact O-OE1 2.87Å; S273-Q290 PolarHBondContact O-OE1 2.89Å; R276-Q290 PolarHBondContact O-NE2 3Å; E288-Q290 PolarHBondContact O-N 3.14Å; E288-Q290 VanDerWaalsContact O-N 3.09Å; E288-Q290 PolarHBondContact O-NE2 3.47Å
291	E	98.2	Very high	95.1	Very high	14 Å²	14	45.2 Å²	45.2	7%	0.065	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-133.8	158.2	-170.2	-64	-64.9	160.1	0	0	111.1	Y158 P160 P222 W227 T271 W272 P289 I293	Y158-E291 WeakPolarHBondContact OH-CB 3.35Å; Y158-E291 WeakPolarHBondContact OH-CG 3.44Å; P160-E291 HydrophobicContact CB-CG 4.5Å; P160-E291 HydrophobicContact CG-CG 4.02Å; P222-E291 HydrophobicContact CB-CB 4.33Å; P222-E291 HydrophobicContact CB-CG 4.41Å; P222-E291 HydrophobicContact CG-CB 4.1Å; P222-E291 HydrophobicContact CG-CG 3.88Å; W227-E291 VanDerWaalsContact CZ2-OE1 3.26Å; W227-E291 WeakPolarHBondContact CZ2-OE1 3.34Å; W227-E291 PolarHBondContact NE1-OE1 3.25Å; W227-E291 PolarHBondContact NE1-OE2 2.85Å; T271-E291 PolarHBondContact N-O 3.48Å; W272-E291 PolarHBondContact N-O 3.19Å; W272-E291 PolarHBondContact O-N 3.24Å; W272-E291 VanDerWaalsContact O-N 3.09Å; P289-E291 HydrophobicContact CB-CG 4.44Å; E291-I293 HydrophobicContact CB-CG2 3.84Å
292	R	98.7	Very high	95.1	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.011	24%	0.244	C	C	.	.			trans	-88	105.6	166.6	-176.3	171.6	63.9	100.1	-3.1	107.6	S223 D226 D255 G269 T271 M295	S223-R292 PolarHBondContact OG-NH2 3.39Å; D226-R292 IonicContact OD1-CZ 2.87Å; D226-R292 IonicContact OD1-NE 3.76Å; D226-R292 IonicContact OD1-NH2 2.66Å; D226-R292 PolarHBondContact OD1-NH2 3.24Å; D226-R292 VanDerWaalsContact OD1-NH2 3.1Å; D226-R292 IonicContact OD2-CZ 3.52Å; D226-R292 VanDerWaalsContact OD2-CZ 3.29Å; D226-R292 IonicContact OD2-NE 3.75Å; D226-R292 PolarHBondContact OD2-NE 3.06Å; D226-R292 IonicContact OD2-NH2 3.12Å; D226-R292 PolarHBondContact OD2-NH2 2.67Å; D255-R292 VanDerWaalsContact CG-NH1 3.28Å; D255-R292 IonicContact OD1-NH1 2.88Å; D255-R292 PolarHBondContact OD1-NH1 3.39Å; D255-R292 IonicContact OD2-CZ 3.98Å; D255-R292 VanDerWaalsContact OD2-CZ 3.23Å; D255-R292 IonicContact OD2-NH1 3.49Å; D255-R292 PolarHBondContact OD2-NH1 2.75Å; D255-R292 IonicContact OD2-NH2 2.9Å; D255-R292 PolarHBondContact OD2-NH2 3.1Å; G269-R292 VanDerWaalsContact O-CB 3.23Å; G269-R292 WeakPolarHBondContact O-CB 3.08Å; G269-R292 VanDerWaalsContact O-CD 3.31Å; G269-R292 WeakPolarHBondContact O-CD 3.38Å; G269-R292 WeakPolarHBondContact O-CG 3.47Å; T271-R292 HydrophobicContact CG2-CG 4.39Å; R292-M295 HydrophobicContact CG-CE 4.23Å; R292-M295 HydrophobicContact CG-CG 4.3Å; R292-M295 WeakPolarHBondContact O-CE 3.47Å
293	I	98.8	Very high	95.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	22%	0.219	C	C	.	.			trans	-119.9	-18.6	-179.7	66.9	175.9	0	0	0	112.8	Y158 L219 T271 W272 E291	Y158-I293 HydrophobicContact CE2-CG2 4.27Å; Y158-I293 WeakPolarHBondContact OH-CG2 3.44Å; L219-I293 WeakPolarHBondContact CB-O 3.26Å; L219-I293 PolarHBondContact N-O 3.05Å; T271-I293 PolarHBondContact OG1-N 3.26Å; W272-I293 HydrophobicContact CB-CD1 3.55Å; W272-I293 HydrophobicContact CB-CG1 3.83Å; W272-I293 HydrophobicContact CD2-CD1 4.2Å; W272-I293 HydrophobicContact CE3-CD1 4.37Å; W272-I293 HydrophobicContact CG-CD1 3.88Å; E291-I293 HydrophobicContact CB-CG2 3.84Å
294	D	98.9	Very high	95.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.3	172.1	-53	-100.3	0	0	0	108.3	T42 G217 T271 H332 V335	T42-D294 HydrophobicContact CG2-CB 4.19Å; G217-D294 WeakPolarHBondContact O-CA 3.39Å; T271-D294 WeakPolarHBondContact CB-OD2 3.37Å; T271-D294 HydrophobicContact CG2-CB 4.02Å; T271-D294 PolarHBondContact OG1-N 2.73Å; T271-D294 PolarHBondContact OG1-OD2 3.06Å; D294-H332 IonicContact OD1-CG 3.6Å; D294-H332 IonicContact OD1-ND1 2.75Å; D294-H332 PolarHBondContact OD1-ND1 3.03Å; D294-H332 IonicContact OD2-CE1 2.82Å; D294-H332 IonicContact OD2-CG 3.46Å; D294-H332 IonicContact OD2-ND1 3.33Å; D294-H332 PolarHBondContact OD2-ND1 3.27Å; D294-V335 HydrophobicContact CB-CG2 4.14Å; D294-V335 WeakPolarHBondContact O-CG2 3.13Å
295	M	98.9	Very high	96.3	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.4	-170.2	-58.8	-176.3	-162.1	0	0	112.1	A216 G217 L219 T245 R292 F297	A216-M295 VanDerWaalsContact CA-O 3.3Å; A216-M295 WeakPolarHBondContact CA-O 3.45Å; G217-M295 PolarHBondContact N-O 2.81Å; G217-M295 PolarHBondContact O-N 2.74Å; L219-M295 HydrophobicContact CD1-CB 4.26Å; L219-M295 HydrophobicContact CD2-SD 4.39Å; T245-M295 HydrophobicContact CG2-CE 4.05Å; T245-M295 HydrophobicContact CG2-SD 3.88Å; R292-M295 HydrophobicContact CG-CE 4.23Å; R292-M295 HydrophobicContact CG-CG 4.3Å; R292-M295 WeakPolarHBondContact O-CE 3.47Å; M295-F297 HydrophobicContact CB-CD2 4.07Å; M295-F297 HydrophobicContact CB-CE2 3.57Å; M295-F297 HydrophobicContact CB-CZ 4.39Å; M295-F297 HydrophobicContact CG-CE2 4.25Å; M295-F297 HydrophobicContact SD-CE2 3.67Å; M295-F297 HydrophobicContact SD-CZ 3.67Å
296	I	98.9	Very high	96.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	111.6	170.2	-59.4	169.8	0	0	0	107.7	I40 T42 A216 S256 V335 A337 F339	I40-I296 HydrophobicContact CB-CD1 4.24Å; I40-I296 HydrophobicContact CG2-CD1 3.8Å; I40-I296 HydrophobicContact CG2-CG1 4.27Å; I40-I296 HydrophobicContact CG2-CG2 4.16Å; T42-I296 HydrophobicContact CG2-CG1 4.11Å; A216-I296 HydrophobicContact CB-CG1 3.93Å; A216-I296 HydrophobicContact CB-CG2 4.48Å; S256-I296 VanDerWaalsContact CB-O 3.28Å; S256-I296 WeakPolarHBondContact CB-O 3.27Å; S256-I296 PolarHBondContact N-O 3.06Å; S256-I296 PolarHBondContact OG-O 2.67Å; I296-V335 HydrophobicContact CD1-CB 4.49Å; I296-V335 HydrophobicContact CD1-CG1 4.14Å; I296-V335 WeakPolarHBondContact CD1-O 3.29Å; I296-V335 HydrophobicContact CG1-CG1 4.42Å; I296-A337 HydrophobicContact CB-CB 4.38Å; I296-A337 HydrophobicContact CD1-CB 3.62Å; I296-A337 HydrophobicContact CG2-CB 4.3Å; I296-F339 HydrophobicContact CG2-CE2 4.07Å; I296-F339 HydrophobicContact CG2-CZ 4.04Å
297	F	98.9	Very high	96.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	154.3	170.5	-68.3	-93.8	0	0	0	110.6	F214 L215 L219 T245 L248 I249 L253 K254 D255 M295	F214-F297 WeakPolarHBondContact CA-O 3.21Å; L215-F297 HydrophobicContact CB-CB 4.38Å; L215-F297 HydrophobicContact CD2-CD2 4.07Å; L215-F297 PolarHBondContact N-O 3.13Å; L215-F297 PolarHBondContact O-N 2.69Å; L219-F297 HydrophobicContact CD2-CE2 3.73Å; L219-F297 HydrophobicContact CD2-CZ 4.4Å; T245-F297 HydrophobicContact CG2-CZ 3.97Å; L248-F297 HydrophobicContact CB-CD1 4.4Å; L248-F297 HydrophobicContact CB-CE1 4.39Å; L248-F297 HydrophobicContact CD1-CD1 4.44Å; L248-F297 HydrophobicContact CD1-CD2 3.85Å; L248-F297 HydrophobicContact CD1-CE1 4.34Å; L248-F297 HydrophobicContact CD1-CE2 3.72Å; L248-F297 HydrophobicContact CD1-CG 4.22Å; L248-F297 HydrophobicContact CD1-CZ 3.99Å; I249-F297 HydrophobicContact CD1-CD1 4.19Å; I249-F297 HydrophobicContact CD1-CE1 3.92Å; L253-F297 HydrophobicContact CB-CB 4.24Å; L253-F297 HydrophobicContact CB-CD1 4.36Å; L253-F297 HydrophobicContact CD1-CB 4.24Å; L253-F297 HydrophobicContact CD2-CB 4.38Å; K254-F297 CarbonylContact O-C 3.5Å; K254-F297 WeakPolarHBondContact O-CA 3.33Å; D255-F297 HydrophobicContact CB-CD1 4.18Å; D255-F297 HydrophobicContact CB-CE1 3.78Å; D255-F297 HydrophobicContact CB-CZ 4.44Å; M295-F297 HydrophobicContact CB-CD2 4.07Å; M295-F297 HydrophobicContact CB-CE2 3.57Å; M295-F297 HydrophobicContact CB-CZ 4.39Å; M295-F297 HydrophobicContact CG-CE2 4.25Å; M295-F297 HydrophobicContact SD-CE2 3.67Å; M295-F297 HydrophobicContact SD-CZ 3.67Å
298	Y	98.8	Very high	96.8	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.012	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	159.3	175.9	81.1	-70	0	0	0	112.8	L213 F214 L253 K254 E259 W303 P305 F339	L213-Y298 CarbonylContact O-C 3.54Å; L213-Y298 VanDerWaalsContact O-CA 3.23Å; L213-Y298 WeakPolarHBondContact O-CA 3.09Å; F214-Y298 VanDerWaalsContact CD1-CB 3.46Å; L253-Y298 CarbonylContact C-O 3.51Å; L253-Y298 WeakPolarHBondContact CA-O 3.34Å; K254-Y298 HydrophobicContact CB-CD1 4.03Å; K254-Y298 HydrophobicContact CB-CE1 3.59Å; K254-Y298 HydrophobicContact CD-CE1 4.19Å; K254-Y298 HydrophobicContact CG-CE1 4.49Å; K254-Y298 PolarHBondContact N-O 3.07Å; K254-Y298 WeakPolarHBondContact O-CD1 3.47Å; K254-Y298 PolarHBondContact O-N 3.05Å; E259-Y298 PolarHBondContact OE1-OH 2.88Å; E259-Y298 PolarHBondContact OE2-OH 2.92Å; E259-Y298 VanDerWaalsContact OE2-OH 3.06Å; Y298-W303 VanDerWaalsContact CE2-O 3.29Å; Y298-W303 WeakPolarHBondContact CE2-O 3.46Å; Y298-P305 HydrophobicContact CE1-CG 4.06Å; Y298-P305 VanDerWaalsContact OH-CD 3.27Å; Y298-P305 WeakPolarHBondContact OH-CD 3.2Å; Y298-F339 AromaticContact CD1-CE1 3.71Å; Y298-F339 HydrophobicContact CD1-CE1 3.71Å; Y298-F339 HydrophobicContact CD1-CZ 4.28Å; Y298-F339 HydrophobicContact CD2-CD1 4.32Å; Y298-F339 AromaticContact CD2-CE1 3.91Å; Y298-F339 HydrophobicContact CD2-CE1 3.91Å; Y298-F339 HydrophobicContact CE1-CE1 4.23Å; Y298-F339 HydrophobicContact CE2-CE1 4.4Å; Y298-F339 HydrophobicContact CG-CD1 4.38Å; Y298-F339 AromaticContact CG-CE1 3.54Å; Y298-F339 HydrophobicContact CG-CE1 3.54Å; Y298-F339 HydrophobicContact CG-CZ 4.21Å
299	K	98.6	Very high	96.9	Very high	56 Å²	56	21.9 Å²	21.9	24%	0.243	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	118.2	164.9	-173.4	-178.4	-173.8	82.8	0	108.8	L205 S208 L213 G252 L253	L205-K299 HydrophobicContact CD1-CD 3.39Å; L205-K299 HydrophobicContact CG-CD 4.13Å; S208-K299 WeakPolarHBondContact OG-CD 3.28Å; S208-K299 VanDerWaalsContact OG-CE 3.26Å; S208-K299 WeakPolarHBondContact OG-CE 3.46Å; L213-K299 HydrophobicContact CB-CB 4.46Å; L213-K299 PolarHBondContact N-O 3.07Å; L213-K299 PolarHBondContact O-N 3.45Å; G252-K299 PolarHBondContact O-NZ 3.27Å; L253-K299 HydrophobicContact CD2-CB 3.97Å
300	S	96.6	Very high	97	Very high	22 Å²	22	23 Å²	23	15%	0.154	12%	0.123	C	C	.	.			trans	-156.8	150.4	174.3	-170.6	0	0	0	0	110.7	V302 W303	S300-V302 PolarHBondContact OG-N 3.42Å; S300-W303 PolarHBondContact OG-N 3.31Å
301	S	91.8	Very high	97.1	Very high	73 Å²	73	21.5 Å²	21.5	51%	0.51	12%	0.115	S	C	.	.	S	Bend	trans	-87.2	-18.9	168.8	55.9	0	0	0	0	113.2	N209	N209-S301 PolarHBondContact O-OG 3.35Å
302	V	89.6	Confident	97	Very high	29 Å²	29	21.8 Å²	21.8	18%	0.176	12%	0.117	C	C	.	.	S	Bend	trans	-121.6	-25.5	-171.3	-60.1	0	0	0	0	114	S300 N341 A342 M343	S300-V302 PolarHBondContact OG-N 3.42Å; V302-N341 WeakPolarHBondContact O-CA 3.45Å; V302-A342 PolarHBondContact O-N 2.91Å; V302-M343 HydrophobicContact CG1-CE 3.92Å
303	W	94.2	Very high	96.9	Very high	4 Å²	4	22 Å²	22	2%	0.015	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.5	176.6	-65.1	92	0	0	0	110.7	I38 L140 Y144 P212 Y298 S300 F339 S340 N341	I38-W303 HydrophobicContact CB-CZ3 4.29Å; I38-W303 HydrophobicContact CD1-CD2 4.01Å; I38-W303 HydrophobicContact CD1-CE3 3.94Å; I38-W303 HydrophobicContact CD1-CH2 3.58Å; I38-W303 HydrophobicContact CD1-CZ2 3.63Å; I38-W303 HydrophobicContact CD1-CZ3 3.73Å; I38-W303 HydrophobicContact CG1-CE3 4.22Å; I38-W303 HydrophobicContact CG1-CH2 3.68Å; I38-W303 HydrophobicContact CG1-CZ2 4.25Å; I38-W303 HydrophobicContact CG1-CZ3 3.65Å; L140-W303 HydrophobicContact CD1-CH2 3.64Å; L140-W303 HydrophobicContact CD1-CZ2 4.13Å; Y144-W303 HydrophobicContact CD1-CZ2 4.31Å; Y144-W303 AromaticContact CD2-CZ2 3.89Å; Y144-W303 HydrophobicContact CD2-CZ2 3.89Å; Y144-W303 HydrophobicContact CE2-CZ2 4.16Å; Y144-W303 AromaticContact CG-CZ2 3.97Å; Y144-W303 HydrophobicContact CG-CZ2 3.97Å; P212-W303 HydrophobicContact CB-CB 4.45Å; P212-W303 HydrophobicContact CB-CG 4.2Å; P212-W303 VanDerWaalsContact CG-CD1 3.48Å; P212-W303 HydrophobicContact CG-CG 4.26Å; Y298-W303 VanDerWaalsContact CE2-O 3.29Å; Y298-W303 WeakPolarHBondContact CE2-O 3.46Å; S300-W303 PolarHBondContact OG-N 3.31Å; W303-F339 HydrophobicContact CE3-CB 4.09Å; W303-S340 WeakPolarHBondContact CA-O 3.4Å; W303-S340 VanDerWaalsContact CE3-C 3.43Å; W303-N341 HydrophobicContact CD2-CB 4.11Å; W303-N341 HydrophobicContact CE3-CB 4Å; W303-N341 HydrophobicContact CH2-CB 3.71Å; W303-N341 HydrophobicContact CZ2-CB 3.84Å; W303-N341 HydrophobicContact CZ3-CB 3.8Å
304	Y	95.6	Very high	96.6	Very high	85 Å²	85	28.1 Å²	28.1	33%	0.333	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.2	178.2	60.1	-83.4	0	0	0	110.3	T306 F339 S340 A342 N345	Y304-T306 HydrophobicContact CD2-CG2 3.99Å; Y304-T306 HydrophobicContact CE2-CG2 3.56Å; Y304-F339 CarbonylContact O-C 3.54Å; Y304-F339 VanDerWaalsContact O-CA 3.26Å; Y304-F339 WeakPolarHBondContact O-CA 3.41Å; Y304-S340 WeakPolarHBondContact CD1-O 3.4Å; Y304-S340 WeakPolarHBondContact CE1-O 3.47Å; Y304-S340 PolarHBondContact N-O 3.15Å; Y304-S340 VanDerWaalsContact N-O 3.15Å; Y304-S340 PolarHBondContact O-N 3.5Å; Y304-A342 HydrophobicContact CD1-CB 4.31Å; Y304-A342 HydrophobicContact CE1-CB 3.81Å; Y304-N345 PolarHBondContact OH-ND2 2.95Å
305	P	97.1	Very high	96.5	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.039	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	141.6	178.2	29.1	-34.5	0	0	0	109.8	E259 I260 Y298 V308 Q338 F339	E259-P305 HydrophobicContact CB-CG 4.26Å; E259-P305 HydrophobicContact CG-CG 4.25Å; I260-P305 HydrophobicContact CD1-CB 4.13Å; I260-P305 HydrophobicContact CD1-CG 4.2Å; I260-P305 HydrophobicContact CG1-CB 4.02Å; I260-P305 HydrophobicContact CG1-CG 4.28Å; Y298-P305 HydrophobicContact CE1-CG 4.06Å; Y298-P305 VanDerWaalsContact OH-CD 3.27Å; Y298-P305 WeakPolarHBondContact OH-CD 3.2Å; P305-V308 HydrophobicContact CB-CG2 4.37Å; P305-Q338 CarbonylContact C-O 3.54Å; P305-Q338 WeakPolarHBondContact CA-O 3.26Å; P305-F339 HydrophobicContact CB-CD1 4.16Å; P305-F339 HydrophobicContact CB-CE1 3.86Å; P305-F339 HydrophobicContact CB-CZ 4.45Å; P305-F339 HydrophobicContact CG-CE1 4.35Å
306	T	95.9	Very high	96.3	Very high	51 Å²	51	38.6 Å²	38.6	31%	0.313	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-25.1	176.9	50.7	0	0	0	0	112.5	Y304 Q338 S340	Y304-T306 HydrophobicContact CD2-CG2 3.99Å; Y304-T306 HydrophobicContact CE2-CG2 3.56Å; T306-Q338 PolarHBondContact N-O 3.01Å; T306-Q338 PolarHBondContact OG1-NE2 3.38Å; T306-Q338 VanDerWaalsContact OG1-NE2 3.1Å; T306-Q338 PolarHBondContact OG1-O 3.19Å; T306-Q338 VanDerWaalsContact OG1-O 3.1Å; T306-S340 WeakPolarHBondContact CG2-OG 3.43Å
307	Q	96.4	Very high	96.2	Very high	34 Å²	34	40 Å²	40	16%	0.159	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	140	173.1	-174.1	173.9	38.9	0	0	108.3	E28 V309 A337 Q338	E28-Q307 PolarHBondContact OE2-NE2 3.13Å; E28-Q307 VanDerWaalsContact OE2-NE2 3.1Å; Q307-V309 HydrophobicContact CG-CG1 4.11Å; Q307-A337 CarbonylContact O-C 3.56Å; Q307-A337 WeakPolarHBondContact O-CA 3.4Å; Q307-Q338 HydrophobicContact CB-CB 4.22Å; Q307-Q338 PolarHBondContact O-N 2.9Å
308	V	98.2	Very high	96.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.6	167.5	-169.6	0	0	0	0	108	Y257 I260 Y261 P305 V335 V336 A337	Y257-V308 HydrophobicContact CD2-CB 4.16Å; Y257-V308 HydrophobicContact CD2-CG1 3.64Å; Y257-V308 HydrophobicContact CG-CG1 4.39Å; I260-V308 HydrophobicContact CG1-CG2 3.97Å; Y261-V308 VanDerWaalsContact CE2-O 3.28Å; Y261-V308 WeakPolarHBondContact CE2-O 3.43Å; Y261-V308 PolarHBondContact OH-O 2.97Å; P305-V308 HydrophobicContact CB-CG2 4.37Å; V308-V335 HydrophobicContact CG1-CG1 3.69Å; V308-V336 CarbonylContact C-O 3.55Å; V308-V336 VanDerWaalsContact CA-O 3.3Å; V308-V336 WeakPolarHBondContact CA-O 3.36Å; V308-A337 HydrophobicContact CG1-CB 4.17Å; V308-A337 HydrophobicContact CG2-CB 3.91Å
309	V	98	Very high	96	Very high	8 Å²	8	45.5 Å²	45.5	5%	0.048	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.1	179.2	-61.3	0	0	0	0	110.9	E28 W30 Q307 V335 V336	E28-V309 HydrophobicContact CB-CG1 4.15Å; W30-V309 HydrophobicContact CB-CG2 4.46Å; W30-V309 HydrophobicContact CE3-CG2 4.13Å; Q307-V309 HydrophobicContact CG-CG1 4.11Å; V309-V335 WeakPolarHBondContact O-CA 3.35Å; V309-V336 HydrophobicContact CG2-CB 3.84Å; V309-V336 HydrophobicContact CG2-CG2 4.46Å; V309-V336 PolarHBondContact N-O 3.05Å; V309-V336 PolarHBondContact O-N 3.34Å
310	V	98.4	Very high	95.7	Very high	43 Å²	43	48.4 Å²	48.4	26%	0.261	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.1	162.9	178.9	0	0	0	0	107.2	Y257 T271 Y333 A334	Y257-V310 HydrophobicContact CE2-CG2 3.98Å; T271-V310 HydrophobicContact CG2-CG1 4.36Å; T271-V310 HydrophobicContact CG2-CG2 4.32Å; V310-Y333 HydrophobicContact CG1-CD1 3.65Å; V310-Y333 HydrophobicContact CG1-CD2 4.33Å; V310-Y333 HydrophobicContact CG1-CG 3.53Å; V310-A334 CarbonylContact C-O 3.5Å
311	Y	98.3	Very high	95.5	Very high	15 Å²	15	50.4 Å²	50.4	6%	0.059	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.5	-165.9	173	-101.5	0	0	0	112.6	M41 H62 Y65 V66 G313 W328 A334	M41-Y311 HydrophobicContact CE-CD1 4.19Å; M41-Y311 HydrophobicContact CE-CE1 4.34Å; H62-Y311 HydrophobicContact CB-CE1 4.15Å; H62-Y311 AromaticContact ND1-CZ 3.78Å; H62-Y311 PolarHBondContact ND1-OH 2.61Å; Y65-Y311 HydrophobicContact CD1-CE2 4.1Å; Y65-Y311 VanDerWaalsContact CD1-OH 3.23Å; Y65-Y311 WeakPolarHBondContact CD1-OH 3.34Å; Y65-Y311 HydrophobicContact CE1-CE2 4.31Å; V66-Y311 HydrophobicContact CG2-CD1 3.68Å; V66-Y311 HydrophobicContact CG2-CD2 4.2Å; V66-Y311 HydrophobicContact CG2-CE1 3.28Å; V66-Y311 HydrophobicContact CG2-CE2 3.88Å; V66-Y311 HydrophobicContact CG2-CG 4.11Å; V66-Y311 VanDerWaalsContact CG2-CZ 3.4Å; Y311-G313 VanDerWaalsContact CE2-N 3.29Å; Y311-W328 AromaticContact CD1-CH2 3.62Å; Y311-W328 HydrophobicContact CD1-CH2 3.62Å; Y311-W328 AromaticContact CD1-CZ3 3.73Å; Y311-W328 HydrophobicContact CD1-CZ3 3.73Å; Y311-W328 AromaticContact CE1-CH2 3.77Å; Y311-W328 HydrophobicContact CE1-CH2 3.77Å; Y311-W328 AromaticContact CE1-CZ3 3.42Å; Y311-W328 HydrophobicContact CE1-CZ3 3.42Å; Y311-W328 VanDerWaalsContact CE1-CZ3 3.42Å; Y311-W328 WeakPolarHBondContact O-CH2 3.18Å; Y311-W328 WeakPolarHBondContact O-CZ2 3.46Å; Y311-A334 HydrophobicContact CD1-CB 4.17Å; Y311-A334 PolarHBondContact N-O 3.03Å; Y311-A334 PolarHBondContact O-N 2.99Å
312	N	97.6	Very high	95.7	Very high	20 Å²	20	52.6 Å²	52.6	11%	0.107	27%	0.267	C	S	.	.			trans	-146.1	22.7	172.8	67.3	-26.1	0	0	0	113.6	I317 W328 Y333	N312-I317 HydrophobicContact CB-CD1 3.87Å; N312-I317 WeakPolarHBondContact ND2-CD1 3.45Å; N312-W328 VanDerWaalsContact CA-CD2 3.5Å; N312-W328 VanDerWaalsContact CA-CE3 3.41Å; N312-W328 HydrophobicContact CB-CD2 3.76Å; N312-W328 HydrophobicContact CB-CE3 4.18Å; N312-W328 HydrophobicContact CB-CG 3.95Å; N312-W328 HydrophobicContact CB-CZ2 4.45Å; N312-Y333 HydrophobicContact CB-CD1 3.61Å; N312-Y333 HydrophobicContact CB-CE1 3.88Å; N312-Y333 WeakPolarHBondContact ND2-CE1 3.46Å
313	G	95.6	Very high	96	Very high	8 Å²	8	51.4 Å²	51.4	8%	0.082	26%	0.259	C	S	.	.			trans	76.4	-151.4	-171	0	0	0	0	0	113.2	Y311	Y311-G313 VanDerWaalsContact CE2-N 3.29Å
314	Y	92.9	Very high	96.2	Very high	130 Å²	130	56.6 Å²	56.6	51%	0.51	28%	0.28	S	S	.	.	S	Bend	trans	-117.6	-20.6	-172.9	60.9	-90.1	0	0	0	114.1	R27	R27-Y314 PolarHBondContact NH1-O 3.31Å
315	K	95.3	Very high	96.3	Very high	95 Å²	95	60.1 Å²	60.1	41%	0.413	30%	0.297	S	S	.	.	S	Bend	trans	-78.9	155.1	179.9	-59.5	-166.6	-163.3	151.5	0	110.9	D327	K315-D327 HydrophobicContact CB-CB 4.05Å; K315-D327 HydrophobicContact CD-CB 3.68Å; K315-D327 HydrophobicContact CG-CB 4.19Å; K315-D327 IonicContact NZ-OD1 2.76Å; K315-D327 PolarHBondContact NZ-OD1 3.08Å
316	N	95.9	Very high	96.4	Very high	127 Å²	127	60.2 Å²	60.2	68%	0.679	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-69.5	147.3	174.2	-67.9	-23.6	0	0	0	110.4	R27	R27-N316 PolarHBondContact NH2-OD1 2.04Å
317	I	97.2	Very high	96.5	Very high	31 Å²	31	58.8 Å²	58.8	16%	0.159	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-98.4	129.6	176.8	-60.6	-171.7	0	0	0	108.4	T274 V275 N312 N326 W328	T274-I317 HydrophobicContact CG2-CD1 3.71Å; V275-I317 HydrophobicContact CG1-CG2 3.66Å; N312-I317 HydrophobicContact CB-CD1 3.87Å; N312-I317 WeakPolarHBondContact ND2-CD1 3.45Å; I317-N326 WeakPolarHBondContact CG2-ND2 3.3Å; I317-W328 HydrophobicContact CD1-CB 3.85Å; I317-W328 HydrophobicContact CD1-CG 3.87Å; I317-W328 HydrophobicContact CG1-CB 4.15Å
318	V	97.6	Very high	96.6	Very high	65 Å²	65	57.4 Å²	57.4	39%	0.394	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-88.7	123.7	171.1	-175.9	0	0	0	0	108.4	D322 H323 N326	V318-D322 HydrophobicContact CG1-CB 3.7Å; V318-H323 WeakPolarHBondContact O-CA 3.34Å; V318-H323 VanDerWaalsContact O-CB 3.27Å; V318-H323 WeakPolarHBondContact O-CB 3.46Å; V318-N326 WeakPolarHBondContact CB-OD1 3.5Å; V318-N326 PolarHBondContact N-OD1 3.14Å; V318-N326 PolarHBondContact O-ND2 3.06Å
319	P	95.2	Very high	96.6	Very high	53 Å²	53	57.4 Å²	57.4	34%	0.344	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-64.3	173.7	175.9	-25.2	36.5	0	0	0	114.2	V275 K277 D322 H323	V275-P319 WeakPolarHBondContact O-CA 3.39Å; V275-P319 WeakPolarHBondContact O-CB 3.44Å; K277-P319 HydrophobicContact CG-CB 4.04Å; K277-P319 HydrophobicContact CG-CG 4.07Å; P319-D322 PolarHBondContact O-N 3.25Å; P319-D322 VanDerWaalsContact O-N 3.15Å; P319-H323 PolarHBondContact O-N 3.26Å
320	Y	91.9	Very high	96.6	Very high	118 Å²	118	57 Å²	57	46%	0.463	28%	0.279	S	S	.	.	S	Bend	trans	-56.2	144	167.7	-168.8	-86.4	0	0	0	111.3	V275 H323	V275-Y320 PolarHBondContact O-N 2.63Å; Y320-H323 AromaticContact CD2-CE1 3.86Å; Y320-H323 AromaticContact CD2-ND1 3.92Å
321	P	92.1	Very high	96.6	Very high	63 Å²	63	55.5 Å²	55.5	41%	0.409	27%	0.269	S	S	.	.	S	Bend	cis	-85.5	-10.5	-1.8	33.4	-34	0	0	0	114.5	H323 Y324	P321-H323 PolarHBondContact O-N 3.31Å; P321-H323 VanDerWaalsContact O-N 3.12Å; P321-H323 PolarHBondContact O-ND1 3.27Å; P321-Y324 WeakPolarHBondContact O-CD2 3.45Å; P321-Y324 WeakPolarHBondContact O-CE2 3.23Å
322	D	96.1	Very high	96.6	Very high	120 Å²	120	55 Å²	55	64%	0.642	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-85.2	15.8	-166.9	-58.5	-53	0	0	0	115.2	V318 P319 Y324	V318-D322 HydrophobicContact CG1-CB 3.7Å; P319-D322 PolarHBondContact O-N 3.25Å; P319-D322 VanDerWaalsContact O-N 3.15Å; D322-Y324 PolarHBondContact O-N 3.42Å
323	H	97.1	Very high	96.7	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.014	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-69.2	-19.8	-173.7	67.4	-74.7	0	0	0	115.9	W46 N51 V275 V318 P319 Y320 P321 K325 N326	W46-H323 AromaticContact CH2-CD2 3.34Å; W46-H323 WeakPolarHBondContact CH2-CD2 3.3Å; W46-H323 AromaticContact CH2-NE2 3.28Å; W46-H323 VanDerWaalsContact CH2-NE2 3.28Å; W46-H323 WeakPolarHBondContact CH2-NE2 3.11Å; W46-H323 AromaticContact CZ3-CD2 3.45Å; W46-H323 VanDerWaalsContact CZ3-CD2 3.45Å; W46-H323 WeakPolarHBondContact CZ3-CD2 3.5Å; W46-H323 AromaticContact CZ3-NE2 3.8Å; N51-H323 PolarHBondContact O-CD2 3.01Å; N51-H323 PolarHBondContact O-NE2 2.98Å; V275-H323 HydrophobicContact CB-CB 4.29Å; V275-H323 HydrophobicContact CG1-CB 3.86Å; V318-H323 WeakPolarHBondContact O-CA 3.34Å; V318-H323 VanDerWaalsContact O-CB 3.27Å; V318-H323 WeakPolarHBondContact O-CB 3.46Å; P319-H323 PolarHBondContact O-N 3.26Å; Y320-H323 AromaticContact CD2-CE1 3.86Å; Y320-H323 AromaticContact CD2-ND1 3.92Å; P321-H323 PolarHBondContact O-N 3.31Å; P321-H323 VanDerWaalsContact O-N 3.12Å; P321-H323 PolarHBondContact O-ND1 3.27Å; H323-K325 PolarHBondContact O-N 3.03Å; H323-N326 WeakPolarHBondContact CA-ND2 3.41Å; H323-N326 WeakPolarHBondContact CB-ND2 3.49Å; H323-N326 WeakPolarHBondContact O-CB 3.34Å; H323-N326 PolarHBondContact O-N 3.31Å; H323-N326 PolarHBondContact O-ND2 2.97Å
324	Y	97.8	Very high	96.8	Very high	114 Å²	114	55.8 Å²	55.8	45%	0.447	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-56	-23.8	-167.6	-59.1	-77.2	0	0	0	114.9	N51 V52 E53 P321 D322	N51-Y324 WeakPolarHBondContact O-CD1 3.42Å; V52-Y324 WeakPolarHBondContact CG1-O 3.3Å; E53-Y324 PolarHBondContact N-O 2.87Å; P321-Y324 WeakPolarHBondContact O-CD2 3.45Å; P321-Y324 WeakPolarHBondContact O-CE2 3.23Å; D322-Y324 PolarHBondContact O-N 3.42Å
325	K	98	Very high	97.1	Very high	159 Å²	159	49.7 Å²	49.7	69%	0.691	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-95.6	3.5	178.8	-66.3	-174.6	177.4	178.9	0	114.2	H323	H323-K325 PolarHBondContact O-N 3.03Å
326	N	98.5	Very high	97.3	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.037	22%	0.223	C	C	.	.			trans	-55.5	145.4	179.3	-77.3	-25	0	0	0	111.4	V52 K58 I317 V318 H323 W328	V52-N326 VanDerWaalsContact CG1-O 3.24Å; V52-N326 WeakPolarHBondContact CG1-O 3.33Å; K58-N326 WeakPolarHBondContact CE-O 3.36Å; K58-N326 PolarHBondContact NZ-O 3.37Å; I317-N326 WeakPolarHBondContact CG2-ND2 3.3Å; V318-N326 WeakPolarHBondContact CB-OD1 3.5Å; V318-N326 PolarHBondContact N-OD1 3.14Å; V318-N326 PolarHBondContact O-ND2 3.06Å; H323-N326 WeakPolarHBondContact CA-ND2 3.41Å; H323-N326 WeakPolarHBondContact CB-ND2 3.49Å; H323-N326 WeakPolarHBondContact O-CB 3.34Å; H323-N326 PolarHBondContact O-N 3.31Å; H323-N326 PolarHBondContact O-ND2 2.97Å; N326-W328 WeakPolarHBondContact CB-O 3.04Å
327	D	98.3	Very high	97.4	Very high	22 Å²	22	39.1 Å²	39.1	12%	0.118	19%	0.191	C	C	.	.	S	Bend	trans	-72.6	-36.7	172.1	-174.5	80.9	0	0	0	111.5	K61 H62 K315	K61-D327 PolarHBondContact NZ-O 3.19Å; K61-D327 IonicContact NZ-OD1 2.67Å; K61-D327 PolarHBondContact NZ-OD1 2.89Å; K61-D327 IonicContact NZ-OD2 3.33Å; K61-D327 PolarHBondContact NZ-OD2 3.15Å; H62-D327 IonicContact CE1-OD2 3.66Å; H62-D327 PolarHBondContact CE1-OD2 3.24Å; H62-D327 PolarHBondContact NE2-O 2.82Å; H62-D327 VanDerWaalsContact NE2-O 3.07Å; H62-D327 IonicContact NE2-OD2 3.79Å; H62-D327 PolarHBondContact NE2-OD2 3.08Å; K315-D327 HydrophobicContact CB-CB 4.05Å; K315-D327 HydrophobicContact CD-CB 3.68Å; K315-D327 HydrophobicContact CG-CB 4.19Å; K315-D327 IonicContact NZ-OD1 2.76Å; K315-D327 PolarHBondContact NZ-OD1 3.08Å
328	W	98.4	Very high	97.4	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.015	18%	0.184	C	C	.	.	S	Bend	trans	-76.8	124.7	171.5	-171.8	-112	0	0	0	110	F43 H62 Y311 N312 I317 N326 S330 H332 A334	F43-W328 HydrophobicContact CD2-CH2 4.27Å; F43-W328 HydrophobicContact CD2-CZ2 4.06Å; F43-W328 HydrophobicContact CE1-CH2 4.24Å; F43-W328 AromaticContact CE2-CH2 3.55Å; F43-W328 HydrophobicContact CE2-CH2 3.55Å; F43-W328 AromaticContact CE2-CZ2 3.3Å; F43-W328 HydrophobicContact CE2-CZ2 3.3Å; F43-W328 HydrophobicContact CE2-CZ3 4.47Å; F43-W328 AromaticContact CZ-CH2 3.52Å; F43-W328 HydrophobicContact CZ-CH2 3.52Å; F43-W328 AromaticContact CZ-CZ2 3.72Å; F43-W328 HydrophobicContact CZ-CZ2 3.72Å; F43-W328 HydrophobicContact CZ-CZ3 4.06Å; H62-W328 HydrophobicContact CB-CZ3 3.82Å; H62-W328 AromaticContact CD2-CE3 3.67Å; H62-W328 AromaticContact CD2-CZ3 3.88Å; H62-W328 AromaticContact CE1-CE3 3.75Å; H62-W328 AromaticContact CG-CE3 3.76Å; H62-W328 AromaticContact CG-CZ3 3.52Å; H62-W328 AromaticContact ND1-CE3 3.79Å; H62-W328 AromaticContact ND1-CZ3 3.69Å; H62-W328 AromaticContact NE2-CE3 3.72Å; Y311-W328 AromaticContact CD1-CH2 3.62Å; Y311-W328 HydrophobicContact CD1-CH2 3.62Å; Y311-W328 AromaticContact CD1-CZ3 3.73Å; Y311-W328 HydrophobicContact CD1-CZ3 3.73Å; Y311-W328 AromaticContact CE1-CH2 3.77Å; Y311-W328 HydrophobicContact CE1-CH2 3.77Å; Y311-W328 AromaticContact CE1-CZ3 3.42Å; Y311-W328 HydrophobicContact CE1-CZ3 3.42Å; Y311-W328 VanDerWaalsContact CE1-CZ3 3.42Å; Y311-W328 WeakPolarHBondContact O-CH2 3.18Å; Y311-W328 WeakPolarHBondContact O-CZ2 3.46Å; N312-W328 VanDerWaalsContact CA-CD2 3.5Å; N312-W328 VanDerWaalsContact CA-CE3 3.41Å; N312-W328 HydrophobicContact CB-CD2 3.76Å; N312-W328 HydrophobicContact CB-CE3 4.18Å; N312-W328 HydrophobicContact CB-CG 3.95Å; N312-W328 HydrophobicContact CB-CZ2 4.45Å; I317-W328 HydrophobicContact CD1-CB 3.85Å; I317-W328 HydrophobicContact CD1-CG 3.87Å; I317-W328 HydrophobicContact CG1-CB 4.15Å; N326-W328 WeakPolarHBondContact CB-O 3.04Å; W328-S330 PolarHBondContact NE1-O 2.8Å; W328-H332 PolarHBondContact NE1-O 2.83Å; W328-A334 HydrophobicContact CH2-CB 3.82Å; W328-A334 HydrophobicContact CZ2-CB 3.99Å
329	P	98.2	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.165	C	C	.	.			trans	-94.5	11.6	-168	37.6	-37.5	0	0	0	114.8	F43 K58 I59	F43-P329 HydrophobicContact CZ-CG 3.94Å; K58-P329 HydrophobicContact CB-CB 3.84Å; K58-P329 HydrophobicContact CB-CG 4.04Å; I59-P329 HydrophobicContact CB-CG 4.46Å; I59-P329 HydrophobicContact CG1-CB 4.01Å; I59-P329 HydrophobicContact CG1-CG 3.6Å
330	S	98.6	Very high	97.2	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	15%	0.149	C	C	.	.			trans	-135.3	151.4	-171.4	175.2	0	0	0	0	112.2	N44 T274 W328 H332	N44-S330 VanDerWaalsContact O-CB 3.29Å; N44-S330 WeakPolarHBondContact O-CB 3.37Å; N44-S330 PolarHBondContact O-OG 2.92Å; T274-S330 PolarHBondContact OG1-O 3.17Å; W328-S330 PolarHBondContact NE1-O 2.8Å; S330-H332 VanDerWaalsContact C-N 3.29Å; S330-H332 PolarHBondContact OG-N 3.25Å; S330-H332 PolarHBondContact OG-O 2.71Å
331	D	98.1	Very high	97	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.053	13%	0.127	C	C	.	.	S	Bend	trans	-80.9	-5.7	168.5	59.1	-18.1	0	0	0	113.6	W46 W272 S273 T274 V275	W46-D331 WeakPolarHBondContact CB-OD1 3.27Å; W46-D331 VanDerWaalsContact CD1-CG 3.49Å; W46-D331 VanDerWaalsContact CD1-OD1 3.22Å; W46-D331 HydrophobicContact CD2-CB 3.86Å; W46-D331 HydrophobicContact CE3-CB 4.01Å; W46-D331 HydrophobicContact CG-CB 4.35Å; W46-D331 HydrophobicContact CH2-CB 4.25Å; W46-D331 HydrophobicContact CZ2-CB 4.11Å; W46-D331 HydrophobicContact CZ3-CB 4.2Å; W46-D331 PolarHBondContact NE1-OD2 3.32Å; W46-D331 VanDerWaalsContact NE1-OD2 3.14Å; W272-D331 HydrophobicContact CZ3-CB 4.3Å; S273-D331 CarbonylContact C-O 3.5Å; S273-D331 VanDerWaalsContact CA-O 3.27Å; S273-D331 WeakPolarHBondContact CA-O 3.2Å; S273-D331 WeakPolarHBondContact CB-O 3.44Å; S273-D331 PolarHBondContact OG-O 2.86Å; T274-D331 PolarHBondContact N-O 3.35Å; T274-D331 WeakPolarHBondContact OG1-CA 3.29Å; T274-D331 PolarHBondContact OG1-O 3.46Å; V275-D331 HydrophobicContact CG2-CB 3.48Å; V275-D331 VanDerWaalsContact CG2-CB 3.48Å
332	H	98.7	Very high	96.2	Very high	4 Å²	4	26 Å²	26	2%	0.019	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-105.1	148.9	169.3	-68.4	-121.1	0	0	0	111.3	N44 D218 T271 W272 D294 W328 S330	N44-H332 HydrophobicContact CB-CB 4.14Å; D218-H332 IonicContact OD1-CE1 2.88Å; D218-H332 IonicContact OD2-CE1 3.27Å; D218-H332 PolarHBondContact OD2-CE1 3.07Å; D218-H332 IonicContact OD2-ND1 3.95Å; D218-H332 IonicContact OD2-NE2 3.97Å; T271-H332 WeakPolarHBondContact O-CA 3.47Å; W272-H332 AromaticContact CE3-CD2 3.75Å; W272-H332 AromaticContact CE3-CE1 3.64Å; W272-H332 AromaticContact CE3-NE2 3.36Å; W272-H332 AromaticContact CZ3-CD2 3.65Å; W272-H332 AromaticContact CZ3-NE2 3.26Å; W272-H332 VanDerWaalsContact CZ3-NE2 3.26Å; W272-H332 WeakPolarHBondContact CZ3-NE2 3.49Å; D294-H332 IonicContact OD1-CG 3.6Å; D294-H332 IonicContact OD1-ND1 2.75Å; D294-H332 PolarHBondContact OD1-ND1 3.03Å; D294-H332 IonicContact OD2-CE1 2.82Å; D294-H332 IonicContact OD2-CG 3.46Å; D294-H332 IonicContact OD2-ND1 3.33Å; D294-H332 PolarHBondContact OD2-ND1 3.27Å; W328-H332 PolarHBondContact NE1-O 2.83Å; S330-H332 VanDerWaalsContact C-N 3.29Å; S330-H332 PolarHBondContact OG-N 3.25Å; S330-H332 PolarHBondContact OG-O 2.71Å
333	Y	98.7	Very high	94.8	Very high	45 Å²	45	26.3 Å²	26.3	18%	0.176	13%	0.126	C	C	.	.			trans	-76.6	141.5	159	-64.5	-99.4	0	0	0	108.9	T271 T274 V310 N312	T271-Y333 WeakPolarHBondContact O-CD2 3.44Å; T271-Y333 PolarHBondContact O-N 2.89Å; T274-Y333 HydrophobicContact CG2-CD1 3.94Å; T274-Y333 HydrophobicContact CG2-CD2 3.38Å; T274-Y333 HydrophobicContact CG2-CE1 4.02Å; T274-Y333 HydrophobicContact CG2-CE2 3.48Å; T274-Y333 VanDerWaalsContact CG2-CE2 3.48Å; T274-Y333 HydrophobicContact CG2-CG 3.61Å; V310-Y333 HydrophobicContact CG1-CD1 3.65Å; V310-Y333 HydrophobicContact CG1-CD2 4.33Å; V310-Y333 HydrophobicContact CG1-CG 3.53Å; N312-Y333 HydrophobicContact CB-CD1 3.61Å; N312-Y333 HydrophobicContact CB-CE1 3.88Å; N312-Y333 WeakPolarHBondContact ND2-CE1 3.46Å
334	A	98.8	Very high	93.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	156.1	168.1	0	0	0	0	0	110.1	M41 T42 F43 V310 Y311 W328	M41-A334 HydrophobicContact CE-CB 3.49Å; M41-A334 VanDerWaalsContact CE-CB 3.49Å; M41-A334 HydrophobicContact CG-CB 4.44Å; T42-A334 VanDerWaalsContact O-CA 3.29Å; T42-A334 WeakPolarHBondContact O-CA 3.48Å; T42-A334 VanDerWaalsContact O-CB 3.3Å; T42-A334 WeakPolarHBondContact O-CB 3.41Å; F43-A334 HydrophobicContact CB-CB 4.3Å; F43-A334 HydrophobicContact CD2-CB 4.03Å; F43-A334 HydrophobicContact CG-CB 4.21Å; V310-A334 CarbonylContact C-O 3.5Å; Y311-A334 HydrophobicContact CD1-CB 4.17Å; Y311-A334 PolarHBondContact N-O 3.03Å; Y311-A334 PolarHBondContact O-N 2.99Å; W328-A334 HydrophobicContact CH2-CB 3.82Å; W328-A334 HydrophobicContact CZ2-CB 3.99Å
335	V	98.9	Very high	91.2	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.018	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.5	168.2	-177.9	0	0	0	0	108.8	M41 T42 T271 D294 I296 V308 V309	M41-V335 CarbonylContact C-O 3.58Å; M41-V335 VanDerWaalsContact CA-O 3.32Å; M41-V335 WeakPolarHBondContact CA-O 3.35Å; T42-V335 HydrophobicContact CG2-CB 3.85Å; T42-V335 HydrophobicContact CG2-CG2 4.45Å; T42-V335 PolarHBondContact N-O 3Å; T42-V335 PolarHBondContact O-N 3.24Å; T42-V335 VanDerWaalsContact O-N 3.11Å; T271-V335 HydrophobicContact CG2-CG2 3.54Å; D294-V335 HydrophobicContact CB-CG2 4.14Å; D294-V335 WeakPolarHBondContact O-CG2 3.13Å; I296-V335 HydrophobicContact CD1-CB 4.49Å; I296-V335 HydrophobicContact CD1-CG1 4.14Å; I296-V335 WeakPolarHBondContact CD1-O 3.29Å; I296-V335 HydrophobicContact CG1-CG1 4.42Å; V308-V335 HydrophobicContact CG1-CG1 3.69Å; V309-V335 WeakPolarHBondContact O-CA 3.35Å
336	V	98.8	Very high	89	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.6	178.5	-174.1	0	0	0	0	108.7	W30 V39 I40 M41 V66 V308 V309	W30-V336 HydrophobicContact CD2-CG1 4.02Å; W30-V336 HydrophobicContact CE3-CB 4.41Å; W30-V336 HydrophobicContact CE3-CG1 3.73Å; W30-V336 HydrophobicContact CH2-CG1 4Å; W30-V336 HydrophobicContact CZ2-CG1 4.26Å; W30-V336 HydrophobicContact CZ3-CG1 3.71Å; V39-V336 HydrophobicContact CG1-CG1 3.73Å; I40-V336 CarbonylContact O-C 3.38Å; I40-V336 VanDerWaalsContact O-CA 3.3Å; I40-V336 WeakPolarHBondContact O-CA 3.45Å; M41-V336 HydrophobicContact CB-CG2 4.34Å; M41-V336 HydrophobicContact CG-CG2 4.07Å; V66-V336 HydrophobicContact CG1-CB 4.36Å; V66-V336 HydrophobicContact CG1-CG1 3.7Å; V66-V336 HydrophobicContact CG1-CG2 3.69Å; V66-V336 HydrophobicContact CG2-CG2 4.26Å; V308-V336 CarbonylContact C-O 3.55Å; V308-V336 VanDerWaalsContact CA-O 3.3Å; V308-V336 WeakPolarHBondContact CA-O 3.36Å; V309-V336 HydrophobicContact CG2-CB 3.84Å; V309-V336 HydrophobicContact CG2-CG2 4.46Å; V309-V336 PolarHBondContact N-O 3.05Å; V309-V336 PolarHBondContact O-N 3.34Å
337	A	98.4	Very high	86.8	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.1	178.6	0	0	0	0	0	111.1	V39 I40 I296 Q307 V308 F339	V39-A337 WeakPolarHBondContact CA-O 3.42Å; I40-A337 PolarHBondContact N-O 3.03Å; I40-A337 PolarHBondContact O-N 3.4Å; I296-A337 HydrophobicContact CB-CB 4.38Å; I296-A337 HydrophobicContact CD1-CB 3.62Å; I296-A337 HydrophobicContact CG2-CB 4.3Å; Q307-A337 CarbonylContact O-C 3.56Å; Q307-A337 WeakPolarHBondContact O-CA 3.4Å; V308-A337 HydrophobicContact CG1-CB 4.17Å; V308-A337 HydrophobicContact CG2-CB 3.91Å; A337-F339 HydrophobicContact CB-CD2 4.33Å; A337-F339 HydrophobicContact CB-CE2 3.54Å; A337-F339 HydrophobicContact CB-CZ 4.07Å
338	Q	97.3	Very high	84.5	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.019	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.4	171.1	-168.2	177.7	-86.7	0	0	110	W30 S33 I38 V39 P305 T306 Q307	W30-Q338 HydrophobicContact CH2-CB 3.86Å; W30-Q338 HydrophobicContact CH2-CG 4.34Å; W30-Q338 HydrophobicContact CZ3-CB 4.05Å; S33-Q338 VanDerWaalsContact O-CD 3.3Å; S33-Q338 PolarHBondContact O-NE2 3.37Å; S33-Q338 PolarHBondContact O-OE1 3.32Å; I38-Q338 WeakPolarHBondContact O-CA 3.22Å; V39-Q338 HydrophobicContact CG2-CG 4.4Å; P305-Q338 CarbonylContact C-O 3.54Å; P305-Q338 WeakPolarHBondContact CA-O 3.26Å; T306-Q338 PolarHBondContact N-O 3.01Å; T306-Q338 PolarHBondContact OG1-NE2 3.38Å; T306-Q338 VanDerWaalsContact OG1-NE2 3.1Å; T306-Q338 PolarHBondContact OG1-O 3.19Å; T306-Q338 VanDerWaalsContact OG1-O 3.1Å; Q307-Q338 HydrophobicContact CB-CB 4.22Å; Q307-Q338 PolarHBondContact O-N 2.9Å
339	F	95.9	Very high	82.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.3	173.6	-64.6	-93.3	0	0	0	110.4	S37 I38 I40 F214 I296 Y298 W303 Y304 P305 A337	S37-F339 CarbonylContact C-O 3.53Å; S37-F339 WeakPolarHBondContact CA-O 3.45Å; S37-F339 VanDerWaalsContact CB-O 3.27Å; S37-F339 WeakPolarHBondContact CB-O 3.46Å; I38-F339 PolarHBondContact N-O 3.13Å; I38-F339 PolarHBondContact O-N 2.98Å; I40-F339 HydrophobicContact CD1-CD2 4.14Å; I40-F339 HydrophobicContact CD1-CE2 3.98Å; F214-F339 HydrophobicContact CD1-CD2 4.33Å; F214-F339 HydrophobicContact CD1-CE1 4.31Å; F214-F339 AromaticContact CD1-CE2 3.95Å; F214-F339 HydrophobicContact CD1-CE2 3.95Å; F214-F339 AromaticContact CD1-CZ 3.95Å; F214-F339 HydrophobicContact CD1-CZ 3.95Å; F214-F339 HydrophobicContact CE1-CB 4.43Å; F214-F339 AromaticContact CE1-CD1 3.68Å; F214-F339 HydrophobicContact CE1-CD1 3.68Å; F214-F339 AromaticContact CE1-CD2 3.63Å; F214-F339 HydrophobicContact CE1-CD2 3.63Å; F214-F339 AromaticContact CE1-CE1 3.73Å; F214-F339 HydrophobicContact CE1-CE1 3.73Å; F214-F339 AromaticContact CE1-CE2 3.66Å; F214-F339 HydrophobicContact CE1-CE2 3.66Å; F214-F339 AromaticContact CE1-CG 3.63Å; F214-F339 HydrophobicContact CE1-CG 3.63Å; F214-F339 AromaticContact CE1-CZ 3.72Å; F214-F339 HydrophobicContact CE1-CZ 3.72Å; F214-F339 HydrophobicContact CZ-CB 4.45Å; F214-F339 HydrophobicContact CZ-CD1 4.4Å; F214-F339 HydrophobicContact CZ-CD2 4.26Å; F214-F339 HydrophobicContact CZ-CG 4.11Å; I296-F339 HydrophobicContact CG2-CE2 4.07Å; I296-F339 HydrophobicContact CG2-CZ 4.04Å; Y298-F339 AromaticContact CD1-CE1 3.71Å; Y298-F339 HydrophobicContact CD1-CE1 3.71Å; Y298-F339 HydrophobicContact CD1-CZ 4.28Å; Y298-F339 HydrophobicContact CD2-CD1 4.32Å; Y298-F339 AromaticContact CD2-CE1 3.91Å; Y298-F339 HydrophobicContact CD2-CE1 3.91Å; Y298-F339 HydrophobicContact CE1-CE1 4.23Å; Y298-F339 HydrophobicContact CE2-CE1 4.4Å; Y298-F339 HydrophobicContact CG-CD1 4.38Å; Y298-F339 AromaticContact CG-CE1 3.54Å; Y298-F339 HydrophobicContact CG-CE1 3.54Å; Y298-F339 HydrophobicContact CG-CZ 4.21Å; W303-F339 HydrophobicContact CE3-CB 4.09Å; Y304-F339 CarbonylContact O-C 3.54Å; Y304-F339 VanDerWaalsContact O-CA 3.26Å; Y304-F339 WeakPolarHBondContact O-CA 3.41Å; P305-F339 HydrophobicContact CB-CD1 4.16Å; P305-F339 HydrophobicContact CB-CE1 3.86Å; P305-F339 HydrophobicContact CB-CZ 4.45Å; P305-F339 HydrophobicContact CG-CE1 4.35Å; A337-F339 HydrophobicContact CB-CD2 4.33Å; A337-F339 HydrophobicContact CB-CE2 3.54Å; A337-F339 HydrophobicContact CB-CZ 4.07Å
340	S	93.3	Very high	79.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	151.8	174.5	-66.4	0	0	0	0	110.9	Q34 W303 Y304 T306	Q34-S340 PolarHBondContact OE1-OG 3.11Å; W303-S340 WeakPolarHBondContact CA-O 3.4Å; W303-S340 VanDerWaalsContact CE3-C 3.43Å; Y304-S340 WeakPolarHBondContact CD1-O 3.4Å; Y304-S340 WeakPolarHBondContact CE1-O 3.47Å; Y304-S340 PolarHBondContact N-O 3.15Å; Y304-S340 VanDerWaalsContact N-O 3.15Å; Y304-S340 PolarHBondContact O-N 3.5Å; T306-S340 WeakPolarHBondContact CG2-OG 3.43Å
341	N	87.3	Confident	77.4	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.011	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.2	175	-171.9	-42.5	0	0	0	110.6	Y144 V302 W303 M343 S344 N345	Y144-N341 PolarHBondContact OH-ND2 3Å; V302-N341 WeakPolarHBondContact O-CA 3.45Å; W303-N341 HydrophobicContact CD2-CB 4.11Å; W303-N341 HydrophobicContact CE3-CB 4Å; W303-N341 HydrophobicContact CH2-CB 3.71Å; W303-N341 HydrophobicContact CZ2-CB 3.84Å; W303-N341 HydrophobicContact CZ3-CB 3.8Å; N341-M343 VanDerWaalsContact C-N 3.28Å; N341-M343 PolarHBondContact O-N 3.05Å; N341-M343 PolarHBondContact OD1-N 3.31Å; N341-S344 PolarHBondContact O-N 2.52Å; N341-N345 PolarHBondContact O-N 3.17Å
342	A	74.3	Confident	74.9	Confident	48 Å²	48	50.7 Å²	50.7	40%	0.397	26%	0.26	S	S	.	.	H	α-helix	trans	-58.8	-36.2	-178.8	0	0	0	0	0	113.2	V302 Y304 Y346	V302-A342 PolarHBondContact O-N 2.91Å; Y304-A342 HydrophobicContact CD1-CB 4.31Å; Y304-A342 HydrophobicContact CE1-CB 3.81Å; A342-Y346 PolarHBondContact O-N 2.96Å
343	M	67.7	Low	72	Confident	126 Å²	126	62.3 Å²	62.3	62%	0.621	31%	0.31	S	S	*	.	H	α-helix	trans	-74.7	-35.3	-177.3	-66.7	-151.9	-103.1	0	0	112.9	V302 N341 N345 Y346 L347	V302-M343 HydrophobicContact CG1-CE 3.92Å; N341-M343 VanDerWaalsContact C-N 3.28Å; N341-M343 PolarHBondContact O-N 3.05Å; N341-M343 PolarHBondContact OD1-N 3.31Å; M343-N345 VanDerWaalsContact C-N 3.33Å; M343-Y346 PolarHBondContact O-N 3.23Å; M343-L347 PolarHBondContact O-N 3.15Å
344	S	62	Low	70.7	Confident	11 Å²	11	63.2 Å²	63.2	8%	0.077	32%	0.317	C	S	.	.	H	α-helix	trans	-68.7	-34.6	177.5	-171.7	0	0	0	0	112.1	Q36 N341 Y346 K348	Q36-S344 VanDerWaalsContact CB-OG 3.3Å; Q36-S344 WeakPolarHBondContact CB-OG 3.41Å; Q36-S344 WeakPolarHBondContact CG-OG 3.31Å; N341-S344 PolarHBondContact O-N 2.52Å; S344-Y346 VanDerWaalsContact C-N 3.34Å; S344-Y346 PolarHBondContact O-N 2.9Å; S344-K348 PolarHBondContact O-N 3.11Å
345	N	56.4	Low	69.2	Low	41 Å²	41	66.5 Å²	66.5	22%	0.219	33%	0.334	C	S	.	.	H	α-helix	trans	-67.4	-33.5	175.2	-73.5	-21.5	0	0	0	112.4	Y304 N341 M343 S349	Y304-N345 PolarHBondContact OH-ND2 2.95Å; N341-N345 PolarHBondContact O-N 3.17Å; M343-N345 VanDerWaalsContact C-N 3.33Å; N345-S349 PolarHBondContact O-N 2.86Å
346	Y	53.4	Low	67.6	Low	170 Å²	170	70 Å²	70	67%	0.667	35%	0.351	S	S	*	.	H	α-helix	trans	-66.9	-46.4	176.4	-166.7	-95.3	0	0	0	112.1	A342 M343 S344 K348 S349 S350	A342-Y346 PolarHBondContact O-N 2.96Å; M343-Y346 PolarHBondContact O-N 3.23Å; S344-Y346 VanDerWaalsContact C-N 3.34Å; S344-Y346 PolarHBondContact O-N 2.9Å; Y346-K348 VanDerWaalsContact C-N 3.33Å; Y346-K348 PolarHBondContact O-N 3Å; Y346-S349 WeakPolarHBondContact O-CB 2.8Å; Y346-S349 PolarHBondContact O-N 3Å; Y346-S349 PolarHBondContact O-OG 3.24Å; Y346-S350 PolarHBondContact O-N 3.4Å
347	L	50.7	Low	65.7	Low	100 Å²	100	74.1 Å²	74.1	52%	0.524	37%	0.372	S	S	.	.	H	α-helix	trans	-61.8	-36.9	179.3	-69	173.5	0	0	0	112.4	M343 S349 S350 Y351	M343-L347 PolarHBondContact O-N 3.15Å; L347-S349 VanDerWaalsContact C-N 3.32Å; L347-S349 PolarHBondContact O-N 3.12Å; L347-S350 PolarHBondContact O-N 3.06Å; L347-S350 PolarHBondContact O-OG 3.15Å; L347-Y351 VanDerWaalsContact O-CD2 3.23Å; L347-Y351 WeakPolarHBondContact O-CD2 3.46Å; L347-Y351 PolarHBondContact O-N 3.1Å
348	K	51.1	Low	63.7	Low	90 Å²	90	78.8 Å²	78.8	39%	0.391	40%	0.395	S	S	.	.	H	α-helix	trans	-66.4	-33.2	173.8	-74.1	-178.3	179.2	176.3	0	113.2	S35 S344 Y346 S352	S35-K348 PolarHBondContact OG-NZ 3.02Å; S344-K348 PolarHBondContact O-N 3.11Å; Y346-K348 VanDerWaalsContact C-N 3.33Å; Y346-K348 PolarHBondContact O-N 3Å; K348-S352 WeakPolarHBondContact O-CB 3.3Å; K348-S352 PolarHBondContact O-N 3.25Å; K348-S352 PolarHBondContact O-OG 3.19Å
349	S	50.5	Low	61.4	Low	63 Å²	63	83.7 Å²	83.7	44%	0.441	42%	0.42	S	S	.	.	H	α-helix	trans	-70.9	-31.3	177.2	84.3	0	0	0	0	112.7	N345 Y346 L347 S352	N345-S349 PolarHBondContact O-N 2.86Å; Y346-S349 WeakPolarHBondContact O-CB 2.8Å; Y346-S349 PolarHBondContact O-N 3Å; Y346-S349 PolarHBondContact O-OG 3.24Å; L347-S349 VanDerWaalsContact C-N 3.32Å; L347-S349 PolarHBondContact O-N 3.12Å; S349-S352 PolarHBondContact O-OG 3.34Å
350	S	47.2	Very low	59	Low	62 Å²	62	89.7 Å²	89.7	43%	0.434	45%	0.45	S	S	.	.	H	α-helix	trans	-79	-22.8	-179.2	57.5	0	0	0	0	114	Y346 L347	Y346-S350 PolarHBondContact O-N 3.4Å; L347-S350 PolarHBondContact O-N 3.06Å; L347-S350 PolarHBondContact O-OG 3.15Å
351	Y	48.9	Very low	56.3	Low	200 Å²	200	96.6 Å²	96.6	78%	0.784	49%	0.485	S	S	*	.	S	Bend	trans	-98.7	-0.1	176.6	-72.2	-73.7	0	0	0	114.1	L347	L347-Y351 VanDerWaalsContact O-CD2 3.23Å; L347-Y351 WeakPolarHBondContact O-CD2 3.46Å; L347-Y351 PolarHBondContact O-N 3.1Å
352	S	44.2	Very low	53.8	Low	95 Å²	95	104.5 Å²	104.5	66%	0.664	53%	0.525	S	S	*	.			trans	-104.5	15.5	177.4	51.2	0	0	0	0	114.3	K348 S349	K348-S352 WeakPolarHBondContact O-CB 3.3Å; K348-S352 PolarHBondContact O-N 3.25Å; K348-S352 PolarHBondContact O-OG 3.19Å; S349-S352 PolarHBondContact O-OG 3.34Å
353	K	38.7	Very low	51.9	Low	248 Å²	248	109.6 Å²	109.6	100%	1.078	54%	0.536	S	S	*	.			trans	-115.1	0	162.4	-71.8	-176.4	178.8	179.3	0	108.7

Retrieved 353 of 353 residues in 700.7 ms (Link to these results)

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