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Phosphoenolpyruvate carboxykinase [GTP]

Catalyzes the conversion of oxaloacetate (OAA) to phosphoenolpyruvate (PEP), the rate-limiting step in the metabolic pathway that produces glucose from lactate and other precursors derived from the citric acid cycle. In parasitic nematodes PEPCK carboxylates phosphoenolpyruvate to oxaloacetate thus introducing the products of glycolysis to mitochondrial metabolism.

AlphaFold DB , UniProt , Accession A0A077Z7M0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 637 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51	Low	76.9	Confident	238 Å²	238	92.8 Å²	92.8	100%	1.172	50%	0.495	S	S	*	.				0	133.4	0	-74.3	-178.4	-108	0	0	107
2	S	77	Confident	74.8	Confident	92 Å²	92	90.9 Å²	90.9	64%	0.643	51%	0.514	S	S	*	.			trans	-72.1	131.3	175.2	68.8	0	0	0	0	108.8	E7	S2-E7 WeakPolarHBondContact CB-OE1 3.17Å; S2-E7 PolarHBondContact OG-OE1 3.03Å
3	C	82.6	Confident	73.5	Confident	16 Å²	16	92.5 Å²	92.5	11%	0.108	51%	0.514	C	S	.	.			trans	-91.1	115.9	178	169.3	0	0	0	0	108.5	S5 L6 E7 A138 D142	C3-S5 PolarHBondContact O-N 2.98Å; C3-L6 HydrophobicContact CB-CB 4.18Å; C3-L6 HydrophobicContact CB-CG 4.34Å; C3-L6 PolarHBondContact O-N 2.98Å; C3-E7 WeakPolarHBondContact O-CG 3.4Å; C3-E7 PolarHBondContact O-N 3.15Å; C3-A138 HydrophobicContact CB-CB 3.48Å; C3-A138 VanDerWaalsContact CB-CB 3.48Å; C3-A138 VanDerWaalsContact SG-CA 3.51Å; C3-A138 VanDerWaalsContact SG-CB 3.52Å; C3-A138 PolarHBondContact SG-O 2.95Å; C3-D142 VanDerWaalsContact CA-OD2 3.27Å; C3-D142 WeakPolarHBondContact CA-OD2 3.45Å; C3-D142 PolarHBondContact SG-OD1 3.37Å; C3-D142 PolarHBondContact SG-OD2 3.11Å; C3-D142 VanDerWaalsContact SG-OD2 3.39Å
4	R	86.4	Confident	72	Confident	175 Å²	175	96.6 Å²	96.6	66%	0.66	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.5	-175.1	-61.5	-171.9	-142	176.1	5.6	111.6	L6 L51 D142	R4-L6 VanDerWaalsContact C-N 3.3Å; R4-L6 PolarHBondContact O-N 2.9Å; R4-L51 HydrophobicContact CB-CD1 4.41Å; R4-D142 PolarHBondContact N-OD1 3.11Å; R4-D142 PolarHBondContact N-OD2 2.98Å
5	S	87.7	Confident	70.9	Confident	0 Å²	0	93.1 Å²	93.1	0%	0	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-30.6	179.8	-56.4	0	0	0	0	113	C3 K48 L141 D142 W244	C3-S5 PolarHBondContact O-N 2.98Å; S5-K48 PolarHBondContact O-NZ 3.48Å; S5-L141 PolarHBondContact OG-O 3.33Å; S5-D142 VanDerWaalsContact CB-OD1 3.26Å; S5-D142 WeakPolarHBondContact CB-OD1 3.49Å; S5-D142 PolarHBondContact N-OD1 2.84Å; S5-D142 PolarHBondContact OG-N 3.02Å; S5-D142 PolarHBondContact OG-OD1 2.97Å; S5-W244 WeakPolarHBondContact O-CH2 3.08Å; S5-W244 WeakPolarHBondContact O-CZ2 3.4Å
6	L	88.8	Confident	69.6	Low	46 Å²	46	96 Å²	96	24%	0.241	53%	0.526	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-4.5	-178.3	-60.5	-171.5	0	0	0	113.8	C3 R4 A138 L141 W244	C3-L6 HydrophobicContact CB-CB 4.18Å; C3-L6 HydrophobicContact CB-CG 4.34Å; C3-L6 PolarHBondContact O-N 2.98Å; R4-L6 VanDerWaalsContact C-N 3.3Å; R4-L6 PolarHBondContact O-N 2.9Å; L6-A138 HydrophobicContact CD1-CB 3.93Å; L6-L141 HydrophobicContact CD2-CD1 3.48Å; L6-L141 VanDerWaalsContact CD2-CD1 3.48Å; L6-L141 HydrophobicContact CG-CD1 4.14Å; L6-W244 HydrophobicContact CD2-CZ2 4.13Å
7	E	84.7	Confident	68.5	Low	92 Å²	92	91.8 Å²	91.8	43%	0.43	51%	0.511	S	S	.	.			trans	-64.2	139.5	173	-79.1	167.5	-167.1	0	0	111	S2 C3	S2-E7 WeakPolarHBondContact CB-OE1 3.17Å; S2-E7 PolarHBondContact OG-OE1 3.03Å; C3-E7 WeakPolarHBondContact O-CG 3.4Å; C3-E7 PolarHBondContact O-N 3.15Å
8	S	79.3	Confident	67	Low	85 Å²	85	95.7 Å²	95.7	59%	0.594	52%	0.524	S	S	*	.			trans	-115.6	146.8	171.3	64.5	0	0	0	0	109.7	E47	S8-E47 WeakPolarHBondContact CA-OE1 3.45Å
9	L	77.8	Confident	65.5	Low	48 Å²	48	97.5 Å²	97.5	25%	0.251	54%	0.538	S	S	.	.			trans	-60	140.5	169.9	-69.4	169.8	0	0	0	109.6	Q13 V15 K43 E47	L9-Q13 HydrophobicContact CB-CB 4.38Å; L9-Q13 HydrophobicContact CD2-CB 4.44Å; L9-V15 HydrophobicContact CD1-CG2 4.28Å; L9-K43 WeakPolarHBondContact O-CE 3.39Å; L9-K43 PolarHBondContact O-NZ 2.84Å; L9-E47 HydrophobicContact CB-CG 4.22Å; L9-E47 HydrophobicContact CD1-CG 3.78Å; L9-E47 HydrophobicContact CG-CG 3.66Å; L9-E47 PolarHBondContact N-OE1 3.1Å
10	S	69.3	Low	64.6	Low	72 Å²	72	100 Å²	100	50%	0.503	56%	0.555	S	S	.	*			trans	-66.1	152.1	174.6	61.4	0	0	0	0	111	G12 Q13	S10-G12 PolarHBondContact O-N 3.43Å; S10-Q13 PolarHBondContact O-N 2.68Å; S10-Q13 WeakPolarHBondContact OG-CG 2.99Å; S10-Q13 PolarHBondContact OG-OE1 3.5Å
11	D	61.3	Low	64	Low	157 Å²	157	99.9 Å²	99.9	84%	0.84	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-5.6	-174	-67.5	-26.6	0	0	0	114.8	K43	D11-K43 IonicContact OD1-NZ 3.61Å; D11-K43 PolarHBondContact OD1-NZ 3.23Å
12	G	52.4	Low	64.7	Low	70 Å²	70	93.6 Å²	93.6	72%	0.722	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-8.2	171.6	0	0	0	0	0	115.2	S10 M14	S10-G12 PolarHBondContact O-N 3.43Å; G12-M14 PolarHBondContact O-N 2.7Å; G12-M14 VanDerWaalsContact O-N 3.15Å
13	Q	57.5	Low	64.5	Low	111 Å²	111	90.8 Å²	90.8	52%	0.519	50%	0.503	S	S	.	.			trans	-77.2	102.2	176.3	-80.9	171.1	-54.7	0	0	109.6	L9 S10 V15	L9-Q13 HydrophobicContact CB-CB 4.38Å; L9-Q13 HydrophobicContact CD2-CB 4.44Å; S10-Q13 PolarHBondContact O-N 2.68Å; S10-Q13 WeakPolarHBondContact OG-CG 2.99Å; S10-Q13 PolarHBondContact OG-OE1 3.5Å; Q13-V15 PolarHBondContact O-N 2.77Å
14	M	51.8	Low	64.1	Low	151 Å²	151	90 Å²	90	74%	0.744	50%	0.498	S	S	*	.			trans	-71.4	126.9	171.1	-79.5	-173	51.1	0	0	110.6	G12 L16	G12-M14 PolarHBondContact O-N 2.7Å; G12-M14 VanDerWaalsContact O-N 3.15Å; M14-L16 HydrophobicContact CB-CG 4.49Å; M14-L16 HydrophobicContact CE-CD2 3.83Å; M14-L16 HydrophobicContact CE-CG 4.47Å; M14-L16 PolarHBondContact O-N 2.76Å; M14-L16 VanDerWaalsContact O-N 3.11Å
15	V	56.4	Low	63.5	Low	43 Å²	43	85.4 Å²	85.4	26%	0.261	49%	0.491	S	S	.	.			trans	-75	96.1	163.4	-174.2	0	0	0	0	107.1	L9 Q13 G17 I24 F34 A46	L9-V15 HydrophobicContact CD1-CG2 4.28Å; Q13-V15 PolarHBondContact O-N 2.77Å; V15-G17 PolarHBondContact O-N 2.94Å; V15-I24 HydrophobicContact CG1-CG2 4.43Å; V15-F34 HydrophobicContact CB-CE1 4.49Å; V15-F34 HydrophobicContact CG1-CE1 3.7Å; V15-F34 HydrophobicContact CG1-CZ 3.92Å; V15-A46 HydrophobicContact CG1-CB 4.03Å; V15-A46 HydrophobicContact CG2-CB 3.86Å
16	L	50.5	Low	63.3	Low	140 Å²	140	94.1 Å²	94.1	73%	0.733	53%	0.532	S	S	*	.			trans	-82.1	105.2	171.1	-73.5	166.7	0	0	0	108.4	M14 E18	M14-L16 HydrophobicContact CB-CG 4.49Å; M14-L16 HydrophobicContact CE-CD2 3.83Å; M14-L16 HydrophobicContact CE-CG 4.47Å; M14-L16 PolarHBondContact O-N 2.76Å; M14-L16 VanDerWaalsContact O-N 3.11Å; L16-E18 PolarHBondContact O-N 3.49Å
17	G	49.4	Very low	63.4	Low	25 Å²	25	92.8 Å²	92.8	26%	0.258	53%	0.525	S	S	.	.			trans	-77.4	110	160.3	0	0	0	0	0	108.1	V15 V19	V15-G17 PolarHBondContact O-N 2.94Å; G17-V19 PolarHBondContact O-N 3.33Å
18	E	42	Very low	63.9	Low	162 Å²	162	91.1 Å²	91.1	76%	0.757	52%	0.522	S	S	*	.			trans	-74.1	118.3	-178.9	-132.8	178.5	-175.1	0	0	110.1	L16 V20	L16-E18 PolarHBondContact O-N 3.49Å; E18-V20 VanDerWaalsContact C-N 3.28Å; E18-V20 PolarHBondContact O-N 2.93Å
19	V	38.8	Very low	64.5	Low	130 Å²	130	88.1 Å²	88.1	79%	0.788	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	72.9	-174.5	-177.1	0	0	0	0	110.4	G17	G17-V19 PolarHBondContact O-N 3.33Å
20	V	47.7	Very low	65.3	Low	146 Å²	146	90.4 Å²	90.4	89%	0.885	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.3	-20.5	150.4	-172.9	0	0	0	0	110.6	E18	E18-V20 VanDerWaalsContact C-N 3.28Å; E18-V20 PolarHBondContact O-N 2.93Å
21	T	51	Low	66.5	Low	98 Å²	98	90.4 Å²	90.4	60%	0.601	50%	0.502	S	S	*	.	S	Bend	trans	-139.1	121.8	163.3	46.3	0	0	0	0	108.2	T23	T21-T23 PolarHBondContact O-N 3.5Å
22	K	65.5	Low	67.9	Low	106 Å²	106	84.1 Å²	84.1	46%	0.461	47%	0.474	S	S	.	.			trans	-64.6	79.4	-176.8	-67.3	-177	-176.5	173.8	0	110.7	I29 H33	K22-I29 HydrophobicContact CB-CB 4.31Å; K22-I29 HydrophobicContact CB-CD1 4.08Å; K22-I29 WeakPolarHBondContact O-CB 3.49Å; K22-I29 WeakPolarHBondContact O-CG1 3.47Å; K22-I29 PolarHBondContact O-N 3.49Å; K22-H33 PolarHBondContact NZ-CE1 2.88Å; K22-H33 PolarHBondContact NZ-ND1 3.42Å
23	T	74.3	Confident	69.7	Low	33 Å²	33	85.2 Å²	85.2	20%	0.202	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.8	-178.8	65.1	0	0	0	0	111	T21 I27	T21-T23 PolarHBondContact O-N 3.5Å; T23-I27 CarbonylContact C-O 3.53Å; T23-I27 WeakPolarHBondContact CA-O 3.33Å
24	I	74.1	Confident	71.2	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.005	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.8	169.3	-59.6	152.2	0	0	0	105.8	V15 Q26 I27 I29 F34 V45 A46 I57	V15-I24 HydrophobicContact CG1-CG2 4.43Å; I24-Q26 PolarHBondContact O-N 3.43Å; I24-I27 PolarHBondContact N-O 3.2Å; I24-I27 WeakPolarHBondContact O-CA 3.31Å; I24-I27 WeakPolarHBondContact O-CB 3.43Å; I24-I27 PolarHBondContact O-N 3.24Å; I24-I29 HydrophobicContact CD1-CD1 3.71Å; I24-I29 HydrophobicContact CD1-CG1 3.8Å; I24-I29 HydrophobicContact CG1-CD1 3.95Å; I24-I29 HydrophobicContact CG1-CG1 4.31Å; I24-F34 HydrophobicContact CD1-CB 4.05Å; I24-F34 HydrophobicContact CD1-CD1 4.14Å; I24-F34 HydrophobicContact CD1-CD2 3.15Å; I24-F34 HydrophobicContact CD1-CE1 4.34Å; I24-F34 HydrophobicContact CD1-CE2 3.36Å; I24-F34 HydrophobicContact CD1-CG 3.54Å; I24-F34 HydrophobicContact CD1-CZ 3.96Å; I24-F34 HydrophobicContact CG1-CB 4.45Å; I24-F34 HydrophobicContact CG1-CD1 3.95Å; I24-F34 HydrophobicContact CG1-CD2 3.88Å; I24-F34 HydrophobicContact CG1-CE1 4.01Å; I24-F34 HydrophobicContact CG1-CE2 3.9Å; I24-F34 HydrophobicContact CG1-CG 3.85Å; I24-F34 HydrophobicContact CG1-CZ 3.96Å; I24-F34 HydrophobicContact CG2-CZ 4.33Å; I24-V45 HydrophobicContact CD1-CG1 4.31Å; I24-A46 HydrophobicContact CG2-CB 3.6Å; I24-I57 HydrophobicContact CB-CD1 4.22Å; I24-I57 HydrophobicContact CD1-CD1 3.59Å
25	C	73.7	Confident	73	Confident	78 Å²	78	77.9 Å²	77.9	53%	0.527	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	41	-174.7	-55.2	0	0	0	0	112.7	I27	C25-I27 PolarHBondContact O-N 2.87Å
26	Q	83.6	Confident	74.6	Confident	182 Å²	182	82.7 Å²	82.7	85%	0.85	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	7.4	-174.3	-52.2	175.5	-13.9	0	0	115.5	I24	I24-Q26 PolarHBondContact O-N 3.43Å
27	I	91	Very high	76.7	Confident	18 Å²	18	76.3 Å²	76.3	9%	0.092	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121.2	177.1	-59.1	160.5	0	0	0	109	T23 I24 C25 A49 P54 I57	T23-I27 CarbonylContact C-O 3.53Å; T23-I27 WeakPolarHBondContact CA-O 3.33Å; I24-I27 PolarHBondContact N-O 3.2Å; I24-I27 WeakPolarHBondContact O-CA 3.31Å; I24-I27 WeakPolarHBondContact O-CB 3.43Å; I24-I27 PolarHBondContact O-N 3.24Å; C25-I27 PolarHBondContact O-N 2.87Å; I27-A49 HydrophobicContact CD1-CB 3.81Å; I27-P54 HydrophobicContact CD1-CG 4.05Å; I27-P54 HydrophobicContact CG2-CG 4.12Å; I27-I57 HydrophobicContact CB-CD1 4.33Å; I27-I57 HydrophobicContact CG2-CD1 3.91Å; I27-I57 HydrophobicContact CG2-CG1 3.88Å
28	P	93.9	Very high	78.8	Confident	58 Å²	58	75.9 Å²	75.9	38%	0.377	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	138.9	-178.9	27.1	-34.1	0	0	0	112.7	A55 N56 I57	P28-A55 VanDerWaalsContact CD-O 3.31Å; P28-A55 WeakPolarHBondContact CD-O 3.39Å; P28-A55 WeakPolarHBondContact CG-O 3.49Å; P28-N56 HydrophobicContact CG-CB 4.02Å; P28-N56 CarbonylContact O-C 3.48Å; P28-N56 WeakPolarHBondContact O-CA 3.2Å; P28-N56 VanDerWaalsContact O-CB 3.32Å; P28-N56 WeakPolarHBondContact O-CB 3.49Å; P28-I57 PolarHBondContact O-N 2.88Å
29	I	93.6	Very high	81.3	Confident	22 Å²	22	74.9 Å²	74.9	11%	0.113	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.4	168.5	-58.8	155.6	0	0	0	108.3	K22 I24 K31 F34 I57 I59	K22-I29 HydrophobicContact CB-CB 4.31Å; K22-I29 HydrophobicContact CB-CD1 4.08Å; K22-I29 WeakPolarHBondContact O-CB 3.49Å; K22-I29 WeakPolarHBondContact O-CG1 3.47Å; K22-I29 PolarHBondContact O-N 3.49Å; I24-I29 HydrophobicContact CD1-CD1 3.71Å; I24-I29 HydrophobicContact CD1-CG1 3.8Å; I24-I29 HydrophobicContact CG1-CD1 3.95Å; I24-I29 HydrophobicContact CG1-CG1 4.31Å; I29-K31 VanDerWaalsContact CG2-O 3.26Å; I29-K31 WeakPolarHBondContact CG2-O 3.48Å; I29-F34 HydrophobicContact CD1-CB 3.34Å; I29-F34 HydrophobicContact CD1-CG 4.22Å; I29-I57 CarbonylContact C-O 3.57Å; I29-I57 WeakPolarHBondContact CA-O 2.99Å; I29-I57 HydrophobicContact CG1-CB 4.36Å; I29-I59 HydrophobicContact CG2-CD1 4.41Å
30	I	94.4	Very high	84	Confident	96 Å²	96	72.9 Å²	72.9	49%	0.492	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-18.5	-177.5	55.9	162.6	0	0	0	113.2	N56 I57 Y58 T153	I30-N56 HydrophobicContact CD1-CB 4.39Å; I30-N56 WeakPolarHBondContact CD1-OD1 3.31Å; I30-N56 HydrophobicContact CG1-CB 4.16Å; I30-N56 HydrophobicContact CG2-CB 3.66Å; I30-I57 WeakPolarHBondContact CG1-O 3.37Å; I30-I57 PolarHBondContact N-O 3.16Å; I30-Y58 HydrophobicContact CD1-CD2 3.84Å; I30-Y58 HydrophobicContact CG1-CD2 4.06Å; I30-T153 HydrophobicContact CD1-CG2 4.18Å
31	K	93.6	Very high	86.3	Confident	71 Å²	71	66 Å²	66	31%	0.309	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	140.1	174.8	-179.7	80.9	175.5	-171.6	0	110.8	I29 Y58 I59 D61	I29-K31 VanDerWaalsContact CG2-O 3.26Å; I29-K31 WeakPolarHBondContact CG2-O 3.48Å; K31-Y58 HydrophobicContact CB-CD1 3.93Å; K31-Y58 HydrophobicContact CB-CD2 3.61Å; K31-Y58 HydrophobicContact CB-CE1 3.84Å; K31-Y58 HydrophobicContact CB-CE2 3.55Å; K31-Y58 HydrophobicContact CB-CG 3.79Å; K31-Y58 HydrophobicContact CG-CD1 4.1Å; K31-Y58 HydrophobicContact CG-CD2 4.38Å; K31-Y58 HydrophobicContact CG-CE1 3.58Å; K31-Y58 HydrophobicContact CG-CE2 3.93Å; K31-Y58 HydrophobicContact CG-CG 4.45Å; K31-Y58 VanDerWaalsContact CG-CZ 3.48Å; K31-I59 PolarHBondContact O-N 3.01Å; K31-D61 WeakPolarHBondContact CE-OD2 3.27Å; K31-D61 IonicContact NZ-OD2 3.82Å; K31-D61 PolarHBondContact NZ-OD2 3.4Å; K31-D61 VanDerWaalsContact NZ-OD2 3.09Å
32	G	91.6	Very high	88.4	Confident	25 Å²	25	61.7 Å²	61.7	26%	0.258	31%	0.311	S	S	.	.	S	Bend	trans	87.9	-174.3	178.4	0	0	0	0	0	113.7
33	H	89	Confident	89.8	Confident	94 Å²	94	59.3 Å²	59.3	44%	0.435	30%	0.301	S	S	.	.			trans	-130.5	106.8	-177.3	-66	-109.8	0	0	0	108.6	K22 D35 H36	K22-H33 PolarHBondContact NZ-CE1 2.88Å; K22-H33 PolarHBondContact NZ-ND1 3.42Å; H33-D35 PolarHBondContact O-N 2.92Å; H33-H36 HydrophobicContact CB-CB 4.16Å; H33-H36 WeakPolarHBondContact CB-ND1 3.31Å; H33-H36 AromaticContact CG-CE1 3.79Å; H33-H36 AromaticContact CG-ND1 3.89Å; H33-H36 AromaticContact ND1-CE1 4Å; H33-H36 WeakPolarHBondContact O-CB 3.49Å; H33-H36 PolarHBondContact O-N 3.37Å
34	F	89.9	Confident	90.8	Very high	5 Å²	5	58 Å²	58	2%	0.022	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-60.3	-35.3	-178.7	178	-102	0	0	0	112.7	V15 I24 I29 H36 L37 Q42 V45 A46 I59	V15-F34 HydrophobicContact CB-CE1 4.49Å; V15-F34 HydrophobicContact CG1-CE1 3.7Å; V15-F34 HydrophobicContact CG1-CZ 3.92Å; I24-F34 HydrophobicContact CD1-CB 4.05Å; I24-F34 HydrophobicContact CD1-CD1 4.14Å; I24-F34 HydrophobicContact CD1-CD2 3.15Å; I24-F34 HydrophobicContact CD1-CE1 4.34Å; I24-F34 HydrophobicContact CD1-CE2 3.36Å; I24-F34 HydrophobicContact CD1-CG 3.54Å; I24-F34 HydrophobicContact CD1-CZ 3.96Å; I24-F34 HydrophobicContact CG1-CB 4.45Å; I24-F34 HydrophobicContact CG1-CD1 3.95Å; I24-F34 HydrophobicContact CG1-CD2 3.88Å; I24-F34 HydrophobicContact CG1-CE1 4.01Å; I24-F34 HydrophobicContact CG1-CE2 3.9Å; I24-F34 HydrophobicContact CG1-CG 3.85Å; I24-F34 HydrophobicContact CG1-CZ 3.96Å; I24-F34 HydrophobicContact CG2-CZ 4.33Å; I29-F34 HydrophobicContact CD1-CB 3.34Å; I29-F34 HydrophobicContact CD1-CG 4.22Å; F34-H36 PolarHBondContact O-N 2.9Å; F34-H36 VanDerWaalsContact O-N 3.14Å; F34-L37 HydrophobicContact CD2-CD1 3.74Å; F34-L37 HydrophobicContact CE2-CD1 4.34Å; F34-L37 VanDerWaalsContact O-CB 3.31Å; F34-L37 WeakPolarHBondContact O-CB 3.17Å; F34-L37 PolarHBondContact O-N 2.72Å; F34-Q42 HydrophobicContact CD1-CG 4.24Å; F34-Q42 HydrophobicContact CD2-CG 4.47Å; F34-Q42 HydrophobicContact CE1-CB 3.84Å; F34-Q42 HydrophobicContact CE1-CG 3.9Å; F34-Q42 HydrophobicContact CE2-CB 3.99Å; F34-Q42 HydrophobicContact CE2-CG 4.19Å; F34-Q42 WeakPolarHBondContact CE2-O 3.49Å; F34-Q42 VanDerWaalsContact CZ-CA 3.49Å; F34-Q42 HydrophobicContact CZ-CB 3.48Å; F34-Q42 VanDerWaalsContact CZ-CB 3.48Å; F34-Q42 HydrophobicContact CZ-CG 3.9Å; F34-Q42 VanDerWaalsContact CZ-O 3.27Å; F34-Q42 WeakPolarHBondContact CZ-O 3.27Å; F34-Q42 WeakPolarHBondContact O-CG 3.4Å; F34-Q42 PolarHBondContact O-NE2 3.39Å; F34-V45 HydrophobicContact CD2-CG1 4.38Å; F34-V45 HydrophobicContact CE2-CB 4.01Å; F34-V45 HydrophobicContact CE2-CG1 3.96Å; F34-A46 HydrophobicContact CZ-CB 4.3Å; F34-I59 HydrophobicContact CB-CD1 4.39Å
35	D	88.8	Confident	91.9	Very high	102 Å²	102	57.9 Å²	57.9	55%	0.545	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-64.5	-18.9	177.9	-55.2	-24.4	0	0	0	113.1	H33 Q42	H33-D35 PolarHBondContact O-N 2.92Å; D35-Q42 PolarHBondContact O-NE2 3.23Å
36	H	90.2	Very high	93	Very high	144 Å²	144	54.2 Å²	54.2	67%	0.667	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-86.2	-11.4	175.1	-61.4	179.3	0	0	0	113.1	H33 F34	H33-H36 HydrophobicContact CB-CB 4.16Å; H33-H36 WeakPolarHBondContact CB-ND1 3.31Å; H33-H36 AromaticContact CG-CE1 3.79Å; H33-H36 AromaticContact CG-ND1 3.89Å; H33-H36 AromaticContact ND1-CE1 4Å; H33-H36 WeakPolarHBondContact O-CB 3.49Å; H33-H36 PolarHBondContact O-N 3.37Å; F34-H36 PolarHBondContact O-N 2.9Å; F34-H36 VanDerWaalsContact O-N 3.14Å
37	L	93.6	Very high	93.5	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.037	23%	0.231	C	C	.	.	S	Bend	trans	-71.3	146.2	174	-60	178.9	0	0	0	109.6	F34 V41 Q42 V45 I59 L196	F34-L37 HydrophobicContact CD2-CD1 3.74Å; F34-L37 HydrophobicContact CE2-CD1 4.34Å; F34-L37 VanDerWaalsContact O-CB 3.31Å; F34-L37 WeakPolarHBondContact O-CB 3.17Å; F34-L37 PolarHBondContact O-N 2.72Å; L37-V41 HydrophobicContact CB-CB 4.25Å; L37-V41 HydrophobicContact CB-CG1 4.2Å; L37-V41 HydrophobicContact CD1-CG1 4.09Å; L37-V41 HydrophobicContact CD2-CG1 4.43Å; L37-V41 HydrophobicContact CG-CG1 4.49Å; L37-Q42 HydrophobicContact CB-CG 3.85Å; L37-Q42 WeakPolarHBondContact O-CG 3.44Å; L37-Q42 PolarHBondContact O-NE2 3.28Å; L37-V45 HydrophobicContact CD1-CG2 4.43Å; L37-I59 HydrophobicContact CD1-CD1 3.83Å; L37-I59 HydrophobicContact CD1-CG1 4.36Å; L37-I59 HydrophobicContact CD2-CD1 4.38Å; L37-I59 HydrophobicContact CD2-CG2 3.99Å; L37-I59 HydrophobicContact CG-CD1 4.15Å; L37-L196 HydrophobicContact CD2-CD1 3.6Å; L37-L196 HydrophobicContact CD2-CD2 3.87Å; L37-L196 HydrophobicContact CD2-CG 4.4Å
38	P	94.2	Very high	93.8	Very high	16 Å²	16	46 Å²	46	10%	0.104	23%	0.228	C	C	.	.			trans	-58.2	152.2	171.1	-24.1	33.5	0	0	0	112.5	K40 V41 Q42 G200	P38-K40 VanDerWaalsContact C-N 3.3Å; P38-K40 PolarHBondContact O-N 3.31Å; P38-V41 HydrophobicContact CB-CG2 4.16Å; P38-V41 HydrophobicContact CG-CG2 4.2Å; P38-V41 CarbonylContact O-C 3.48Å; P38-V41 WeakPolarHBondContact O-CA 3.46Å; P38-V41 WeakPolarHBondContact O-CB 3.49Å; P38-V41 PolarHBondContact O-N 3.08Å; P38-Q42 PolarHBondContact O-N 3.05Å; P38-G200 WeakPolarHBondContact CB-O 3.4Å; P38-G200 WeakPolarHBondContact CG-O 3.41Å
39	K	93.9	Very high	94	Very high	141 Å²	141	43.3 Å²	43.3	61%	0.613	21%	0.21	S	C	*	.	H	α-helix	trans	-58.9	-38.4	-170.6	-71.6	-68.7	173.5	-167.6	0	113.7	V41 Q42 K43	K39-V41 VanDerWaalsContact C-N 3.33Å; K39-V41 PolarHBondContact O-N 3.31Å; K39-Q42 VanDerWaalsContact NZ-OE1 3.15Å; K39-Q42 WeakPolarHBondContact O-CB 3.37Å; K39-Q42 PolarHBondContact O-N 2.97Å; K39-K43 PolarHBondContact O-N 3.14Å
40	K	95.4	Very high	94.1	Very high	88 Å²	88	45.2 Å²	45.2	38%	0.383	23%	0.23	S	C	.	.	H	α-helix	trans	-65.4	-35.7	175.2	-67.4	179.8	179.6	171.5	0	112.4	P38 F44 D201 D203 F204	P38-K40 VanDerWaalsContact C-N 3.3Å; P38-K40 PolarHBondContact O-N 3.31Å; K40-F44 WeakPolarHBondContact O-CB 3.15Å; K40-F44 PolarHBondContact O-N 3.04Å; K40-D201 WeakPolarHBondContact CE-O 3.31Å; K40-D201 PolarHBondContact NZ-O 3.06Å; K40-D203 WeakPolarHBondContact CE-OD1 3.42Å; K40-D203 IonicContact NZ-OD1 2.84Å; K40-D203 PolarHBondContact NZ-OD1 3.08Å; K40-F204 HydrophobicContact CB-CE1 3.81Å
41	V	96.6	Very high	94.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.8	-43.3	175.4	-176.1	0	0	0	0	110.4	L37 P38 K39 K43 F44 V45 I173 L199 F204	L37-V41 HydrophobicContact CB-CB 4.25Å; L37-V41 HydrophobicContact CB-CG1 4.2Å; L37-V41 HydrophobicContact CD1-CG1 4.09Å; L37-V41 HydrophobicContact CD2-CG1 4.43Å; L37-V41 HydrophobicContact CG-CG1 4.49Å; P38-V41 HydrophobicContact CB-CG2 4.16Å; P38-V41 HydrophobicContact CG-CG2 4.2Å; P38-V41 CarbonylContact O-C 3.48Å; P38-V41 WeakPolarHBondContact O-CA 3.46Å; P38-V41 WeakPolarHBondContact O-CB 3.49Å; P38-V41 PolarHBondContact O-N 3.08Å; K39-V41 VanDerWaalsContact C-N 3.33Å; K39-V41 PolarHBondContact O-N 3.31Å; V41-K43 VanDerWaalsContact C-N 3.33Å; V41-K43 PolarHBondContact O-N 3.03Å; V41-F44 PolarHBondContact O-N 3.45Å; V41-V45 HydrophobicContact CG1-CG2 4.14Å; V41-V45 WeakPolarHBondContact O-CB 3.33Å; V41-V45 WeakPolarHBondContact O-CG2 3.37Å; V41-V45 PolarHBondContact O-N 2.92Å; V41-I173 HydrophobicContact CG1-CD1 4.27Å; V41-I173 HydrophobicContact CG1-CG1 4.15Å; V41-I173 HydrophobicContact CG1-CG2 4.32Å; V41-I173 HydrophobicContact CG2-CD1 4.21Å; V41-I173 HydrophobicContact CG2-CG1 4.06Å; V41-L199 HydrophobicContact CG2-CD2 3.66Å; V41-F204 HydrophobicContact CB-CE1 4.42Å; V41-F204 HydrophobicContact CB-CZ 4.42Å; V41-F204 HydrophobicContact CG2-CD1 4.1Å; V41-F204 HydrophobicContact CG2-CE1 3.58Å; V41-F204 HydrophobicContact CG2-CZ 3.92Å
42	Q	95.2	Very high	94.4	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-53.6	-51.2	173.8	-69.1	-179.1	16.1	0	0	110.8	F34 D35 L37 P38 K39 F44 V45 A46	F34-Q42 HydrophobicContact CD1-CG 4.24Å; F34-Q42 HydrophobicContact CD2-CG 4.47Å; F34-Q42 HydrophobicContact CE1-CB 3.84Å; F34-Q42 HydrophobicContact CE1-CG 3.9Å; F34-Q42 HydrophobicContact CE2-CB 3.99Å; F34-Q42 HydrophobicContact CE2-CG 4.19Å; F34-Q42 WeakPolarHBondContact CE2-O 3.49Å; F34-Q42 VanDerWaalsContact CZ-CA 3.49Å; F34-Q42 HydrophobicContact CZ-CB 3.48Å; F34-Q42 VanDerWaalsContact CZ-CB 3.48Å; F34-Q42 HydrophobicContact CZ-CG 3.9Å; F34-Q42 VanDerWaalsContact CZ-O 3.27Å; F34-Q42 WeakPolarHBondContact CZ-O 3.27Å; F34-Q42 WeakPolarHBondContact O-CG 3.4Å; F34-Q42 PolarHBondContact O-NE2 3.39Å; D35-Q42 PolarHBondContact O-NE2 3.23Å; L37-Q42 HydrophobicContact CB-CG 3.85Å; L37-Q42 WeakPolarHBondContact O-CG 3.44Å; L37-Q42 PolarHBondContact O-NE2 3.28Å; P38-Q42 PolarHBondContact O-N 3.05Å; K39-Q42 VanDerWaalsContact NZ-OE1 3.15Å; K39-Q42 WeakPolarHBondContact O-CB 3.37Å; K39-Q42 PolarHBondContact O-N 2.97Å; Q42-F44 PolarHBondContact O-N 3Å; Q42-V45 PolarHBondContact O-N 3.1Å; Q42-A46 WeakPolarHBondContact O-CB 3.44Å; Q42-A46 PolarHBondContact O-N 3.46Å
43	K	94.3	Very high	94.7	Very high	57 Å²	57	38.7 Å²	38.7	25%	0.248	20%	0.2	C	C	.	.	H	α-helix	trans	-57.4	-50.4	178	-174.7	177.5	-176.9	-180	0	111.7	L9 D11 K39 V41 V45 A46 E47	L9-K43 WeakPolarHBondContact O-CE 3.39Å; L9-K43 PolarHBondContact O-NZ 2.84Å; D11-K43 IonicContact OD1-NZ 3.61Å; D11-K43 PolarHBondContact OD1-NZ 3.23Å; K39-K43 PolarHBondContact O-N 3.14Å; V41-K43 VanDerWaalsContact C-N 3.33Å; V41-K43 PolarHBondContact O-N 3.03Å; K43-V45 PolarHBondContact O-N 3.18Å; K43-A46 PolarHBondContact O-N 3.4Å; K43-E47 WeakPolarHBondContact CE-OE1 3.27Å; K43-E47 WeakPolarHBondContact CG-OE1 3.24Å; K43-E47 WeakPolarHBondContact O-CB 3.42Å; K43-E47 VanDerWaalsContact O-CG 3.31Å; K43-E47 WeakPolarHBondContact O-CG 3.33Å; K43-E47 PolarHBondContact O-N 3.45Å
44	F	96.8	Very high	95.1	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-48	179.4	172.4	-123.3	0	0	0	112.8	K40 V41 Q42 A46 K48 I173 L175 F204 R206 I208	K40-F44 WeakPolarHBondContact O-CB 3.15Å; K40-F44 PolarHBondContact O-N 3.04Å; V41-F44 PolarHBondContact O-N 3.45Å; Q42-F44 PolarHBondContact O-N 3Å; F44-A46 PolarHBondContact O-N 2.89Å; F44-K48 HydrophobicContact CD2-CG 3.82Å; F44-K48 HydrophobicContact CE2-CD 4.43Å; F44-K48 HydrophobicContact CE2-CG 3.55Å; F44-K48 HydrophobicContact CZ-CG 4.34Å; F44-K48 WeakPolarHBondContact O-CG 3.46Å; F44-K48 PolarHBondContact O-N 3.43Å; F44-K48 VanDerWaalsContact O-N 3.1Å; F44-I173 HydrophobicContact CD1-CB 4.3Å; F44-I173 HydrophobicContact CD1-CG2 4.15Å; F44-I173 HydrophobicContact CE1-CB 4.12Å; F44-I173 HydrophobicContact CE1-CG2 4.02Å; F44-L175 HydrophobicContact CD1-CD1 4.23Å; F44-L175 HydrophobicContact CD1-CG 4.45Å; F44-L175 HydrophobicContact CE1-CD1 3.65Å; F44-L175 HydrophobicContact CE1-CD2 4.04Å; F44-L175 HydrophobicContact CE1-CG 3.61Å; F44-L175 HydrophobicContact CE2-CD1 4.13Å; F44-L175 HydrophobicContact CZ-CD1 3.59Å; F44-L175 HydrophobicContact CZ-CG 3.82Å; F44-F204 HydrophobicContact CB-CE2 4.37Å; F44-F204 HydrophobicContact CB-CZ 3.95Å; F44-F204 AromaticContact CD1-CE2 3.72Å; F44-F204 HydrophobicContact CD1-CE2 3.72Å; F44-F204 HydrophobicContact CD1-CZ 4.11Å; F44-F204 HydrophobicContact CE1-CE2 4.26Å; F44-F204 HydrophobicContact CG-CE2 4.15Å; F44-F204 HydrophobicContact CG-CZ 4.24Å; F44-R206 HydrophobicContact CD1-CG 4.29Å; F44-R206 HydrophobicContact CD2-CB 4.24Å; F44-R206 HydrophobicContact CD2-CG 3.75Å; F44-R206 HydrophobicContact CE1-CB 4.35Å; F44-R206 HydrophobicContact CE1-CG 4.27Å; F44-R206 HydrophobicContact CE2-CB 3.7Å; F44-R206 HydrophobicContact CE2-CG 3.74Å; F44-R206 HydrophobicContact CG-CG 4.04Å; F44-R206 HydrophobicContact CZ-CB 3.75Å; F44-R206 HydrophobicContact CZ-CG 4Å; F44-I208 HydrophobicContact CE2-CD1 3.86Å; F44-I208 HydrophobicContact CE2-CG1 3.92Å; F44-I208 HydrophobicContact CZ-CD1 3.94Å; F44-I208 HydrophobicContact CZ-CG1 3.9Å
45	V	96.9	Very high	95.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-44.2	178.6	170.8	0	0	0	0	110.5	I24 F34 L37 V41 Q42 K43 K48 A49 I57 V156 L175	I24-V45 HydrophobicContact CD1-CG1 4.31Å; F34-V45 HydrophobicContact CD2-CG1 4.38Å; F34-V45 HydrophobicContact CE2-CB 4.01Å; F34-V45 HydrophobicContact CE2-CG1 3.96Å; L37-V45 HydrophobicContact CD1-CG2 4.43Å; V41-V45 HydrophobicContact CG1-CG2 4.14Å; V41-V45 WeakPolarHBondContact O-CB 3.33Å; V41-V45 WeakPolarHBondContact O-CG2 3.37Å; V41-V45 PolarHBondContact O-N 2.92Å; Q42-V45 PolarHBondContact O-N 3.1Å; K43-V45 PolarHBondContact O-N 3.18Å; V45-K48 PolarHBondContact O-N 3.49Å; V45-A49 WeakPolarHBondContact O-CB 3.46Å; V45-A49 PolarHBondContact O-N 2.89Å; V45-I57 HydrophobicContact CG1-CD1 4.4Å; V45-V156 HydrophobicContact CG1-CG2 4.07Å; V45-V156 HydrophobicContact CG2-CG1 3.78Å; V45-V156 HydrophobicContact CG2-CG2 3.97Å; V45-L175 HydrophobicContact CG2-CD2 3.99Å
46	A	95.8	Very high	95.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-63.7	-47.4	179.3	0	0	0	0	0	112.7	V15 I24 F34 Q42 K43 F44 K48 A49 A50	V15-A46 HydrophobicContact CG1-CB 4.03Å; V15-A46 HydrophobicContact CG2-CB 3.86Å; I24-A46 HydrophobicContact CG2-CB 3.6Å; F34-A46 HydrophobicContact CZ-CB 4.3Å; Q42-A46 WeakPolarHBondContact O-CB 3.44Å; Q42-A46 PolarHBondContact O-N 3.46Å; K43-A46 PolarHBondContact O-N 3.4Å; F44-A46 PolarHBondContact O-N 2.89Å; A46-K48 VanDerWaalsContact C-N 3.33Å; A46-K48 PolarHBondContact O-N 2.96Å; A46-A49 PolarHBondContact O-N 3.48Å; A46-A50 WeakPolarHBondContact O-CB 3.42Å; A46-A50 PolarHBondContact O-N 3.42Å
47	E	95.1	Very high	96.2	Very high	21 Å²	21	26.3 Å²	26.3	10%	0.098	15%	0.149	C	C	.	.	H	α-helix	trans	-54.6	-49.2	176.2	-79.1	171	-178.2	0	0	111.7	S8 L9 K43 A50 L51	S8-E47 WeakPolarHBondContact CA-OE1 3.45Å; L9-E47 HydrophobicContact CB-CG 4.22Å; L9-E47 HydrophobicContact CD1-CG 3.78Å; L9-E47 HydrophobicContact CG-CG 3.66Å; L9-E47 PolarHBondContact N-OE1 3.1Å; K43-E47 WeakPolarHBondContact CE-OE1 3.27Å; K43-E47 WeakPolarHBondContact CG-OE1 3.24Å; K43-E47 WeakPolarHBondContact O-CB 3.42Å; K43-E47 VanDerWaalsContact O-CG 3.31Å; K43-E47 WeakPolarHBondContact O-CG 3.33Å; K43-E47 PolarHBondContact O-N 3.45Å; E47-A50 PolarHBondContact O-N 2.89Å; E47-L51 PolarHBondContact O-N 3.42Å; E47-L51 VanDerWaalsContact O-N 3.1Å
48	K	97.2	Very high	96.4	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.03	15%	0.152	C	C	.	.	H	α-helix	trans	-80.6	-28.2	-174.2	-59	-44.2	174.9	-161.9	0	112.6	S5 F44 V45 A46 L51 M52 L175 I208 W244	S5-K48 PolarHBondContact O-NZ 3.48Å; F44-K48 HydrophobicContact CD2-CG 3.82Å; F44-K48 HydrophobicContact CE2-CD 4.43Å; F44-K48 HydrophobicContact CE2-CG 3.55Å; F44-K48 HydrophobicContact CZ-CG 4.34Å; F44-K48 WeakPolarHBondContact O-CG 3.46Å; F44-K48 PolarHBondContact O-N 3.43Å; F44-K48 VanDerWaalsContact O-N 3.1Å; V45-K48 PolarHBondContact O-N 3.49Å; A46-K48 VanDerWaalsContact C-N 3.33Å; A46-K48 PolarHBondContact O-N 2.96Å; K48-L51 HydrophobicContact CD-CD2 4.25Å; K48-L51 PolarHBondContact O-N 3.28Å; K48-M52 HydrophobicContact CB-CE 3.76Å; K48-M52 WeakPolarHBondContact O-CB 3.45Å; K48-M52 WeakPolarHBondContact O-CG 3.11Å; K48-M52 PolarHBondContact O-N 2.83Å; K48-L175 HydrophobicContact CB-CD1 3.41Å; K48-L175 VanDerWaalsContact CB-CD1 3.41Å; K48-L175 HydrophobicContact CG-CD1 3.85Å; K48-I208 HydrophobicContact CG-CG1 4.32Å; K48-W244 HydrophobicContact CD-CH2 4.01Å
49	A	97	Very high	96.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-45.3	168.1	0	0	0	0	0	111.4	I27 V45 A46 L51 M52 G53 P54 I57 M154	I27-A49 HydrophobicContact CD1-CB 3.81Å; V45-A49 WeakPolarHBondContact O-CB 3.46Å; V45-A49 PolarHBondContact O-N 2.89Å; A46-A49 PolarHBondContact O-N 3.48Å; A49-L51 VanDerWaalsContact C-N 3.33Å; A49-L51 PolarHBondContact O-N 3.49Å; A49-M52 PolarHBondContact O-N 2.81Å; A49-G53 WeakPolarHBondContact O-CA 3.47Å; A49-G53 PolarHBondContact O-N 2.72Å; A49-P54 HydrophobicContact CB-CG 4.39Å; A49-P54 VanDerWaalsContact O-CD 3.24Å; A49-P54 WeakPolarHBondContact O-CD 3.39Å; A49-I57 HydrophobicContact CB-CD1 3.84Å; A49-M154 HydrophobicContact CB-CE 4.31Å; A49-M154 HydrophobicContact CB-SD 4.24Å
50	A	95.8	Very high	96.7	Very high	63 Å²	63	20.2 Å²	20.2	52%	0.521	12%	0.121	S	C	.	.	H	α-helix	trans	-60.9	-41.3	175.6	0	0	0	0	0	112.2	A46 E47	A46-A50 WeakPolarHBondContact O-CB 3.42Å; A46-A50 PolarHBondContact O-N 3.42Å; E47-A50 PolarHBondContact O-N 2.89Å
51	L	97	Very high	96.7	Very high	24 Å²	24	18.6 Å²	18.6	13%	0.126	12%	0.116	C	C	.	.	H	α-helix	trans	-65.3	-53.1	176.3	176.7	67	0	0	0	112.6	R4 E47 K48 A49 F145 P146 G147 W244	R4-L51 HydrophobicContact CB-CD1 4.41Å; E47-L51 PolarHBondContact O-N 3.42Å; E47-L51 VanDerWaalsContact O-N 3.1Å; K48-L51 HydrophobicContact CD-CD2 4.25Å; K48-L51 PolarHBondContact O-N 3.28Å; A49-L51 VanDerWaalsContact C-N 3.33Å; A49-L51 PolarHBondContact O-N 3.49Å; L51-F145 HydrophobicContact CD2-CB 4.03Å; L51-F145 HydrophobicContact CG-CB 4.34Å; L51-P146 HydrophobicContact CD1-CB 4.49Å; L51-P146 HydrophobicContact CD1-CG 3.96Å; L51-P146 WeakPolarHBondContact O-CA 3.32Å; L51-G147 PolarHBondContact O-N 3.06Å; L51-W244 HydrophobicContact CD2-CH2 4.04Å; L51-W244 HydrophobicContact CD2-CZ3 4.15Å
52	M	98.1	Very high	96.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-87	-16.5	-168.4	-64.5	-168.8	-82.8	0	0	113.8	K48 A49 F145 G147 C148 M149 M154 L175 I208	K48-M52 HydrophobicContact CB-CE 3.76Å; K48-M52 WeakPolarHBondContact O-CB 3.45Å; K48-M52 WeakPolarHBondContact O-CG 3.11Å; K48-M52 PolarHBondContact O-N 2.83Å; A49-M52 PolarHBondContact O-N 2.81Å; M52-F145 HydrophobicContact CG-CD1 4.19Å; M52-F145 HydrophobicContact SD-CD1 3.76Å; M52-F145 HydrophobicContact SD-CE1 4.25Å; M52-G147 CarbonylContact O-C 3.46Å; M52-G147 WeakPolarHBondContact O-CA 3.47Å; M52-C148 PolarHBondContact O-N 2.96Å; M52-M149 HydrophobicContact CB-CB 4.16Å; M52-M149 HydrophobicContact CB-CG 3.93Å; M52-M149 HydrophobicContact CB-SD 4.16Å; M52-M149 HydrophobicContact CE-CE 3.86Å; M52-M149 HydrophobicContact CE-SD 4.16Å; M52-M149 PolarHBondContact O-N 3.32Å; M52-M149 HydrophobicContact SD-CE 3.61Å; M52-M149 HydrophobicContact SD-CG 4.25Å; M52-M149 HydrophobicContact SD-SD 4.01Å; M52-M154 HydrophobicContact CB-CE 4.07Å; M52-M154 HydrophobicContact CE-CE 3.28Å; M52-M154 HydrophobicContact CE-SD 4.45Å; M52-M154 HydrophobicContact SD-CE 4.4Å; M52-L175 HydrophobicContact CE-CB 4.26Å; M52-L175 HydrophobicContact CE-CD1 4.24Å; M52-I208 HydrophobicContact CE-CG2 3.77Å; M52-I208 HydrophobicContact SD-CG2 3.9Å
53	G	97.1	Very high	96.6	Very high	30 Å²	30	21.5 Å²	21.5	31%	0.309	14%	0.141	S	C	.	.			trans	58.7	48.6	174.8	0	0	0	0	0	115.5	A49 K150	A49-G53 WeakPolarHBondContact O-CA 3.47Å; A49-G53 PolarHBondContact O-N 2.72Å; G53-K150 VanDerWaalsContact O-CA 3.27Å; G53-K150 WeakPolarHBondContact O-CA 3.38Å; G53-K150 PolarHBondContact O-N 3.01Å
54	P	98.2	Very high	96.5	Very high	7 Å²	7	24.6 Å²	24.6	5%	0.045	17%	0.165	C	C	.	.			trans	-63.1	157.1	175	33.9	-39.2	0	0	0	111.7	I27 A49 N56 I57 M149 R152 M154	I27-P54 HydrophobicContact CD1-CG 4.05Å; I27-P54 HydrophobicContact CG2-CG 4.12Å; A49-P54 HydrophobicContact CB-CG 4.39Å; A49-P54 VanDerWaalsContact O-CD 3.24Å; A49-P54 WeakPolarHBondContact O-CD 3.39Å; P54-N56 VanDerWaalsContact C-N 3.34Å; P54-I57 HydrophobicContact CG-CG1 4.36Å; P54-M149 WeakPolarHBondContact CA-O 3.48Å; P54-M149 HydrophobicContact CB-CB 3.95Å; P54-M149 HydrophobicContact CB-SD 4.47Å; P54-R152 CarbonylContact C-O 3.56Å; P54-R152 WeakPolarHBondContact CA-O 3.32Å; P54-R152 WeakPolarHBondContact CB-O 3.15Å; P54-M154 HydrophobicContact CB-CB 3.67Å; P54-M154 HydrophobicContact CB-CE 4.48Å; P54-M154 HydrophobicContact CG-CB 3.78Å; P54-M154 HydrophobicContact CG-CE 3.82Å; P54-M154 HydrophobicContact CG-SD 4.42Å
55	A	97.5	Very high	96.5	Very high	45 Å²	45	29.8 Å²	29.8	37%	0.372	19%	0.189	S	C	.	.	S	Bend	trans	-75.3	-26.7	174.8	0	0	0	0	0	112.8	P28 R152	P28-A55 VanDerWaalsContact CD-O 3.31Å; P28-A55 WeakPolarHBondContact CD-O 3.39Å; P28-A55 WeakPolarHBondContact CG-O 3.49Å; A55-R152 PolarHBondContact N-O 2.91Å
56	N	97.2	Very high	96.4	Very high	33 Å²	33	29.8 Å²	29.8	18%	0.176	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	165.8	176.8	54	65.9	0	0	0	110.7	P28 I30 P54 T153 M154	P28-N56 HydrophobicContact CG-CB 4.02Å; P28-N56 CarbonylContact O-C 3.48Å; P28-N56 WeakPolarHBondContact O-CA 3.2Å; P28-N56 VanDerWaalsContact O-CB 3.32Å; P28-N56 WeakPolarHBondContact O-CB 3.49Å; I30-N56 HydrophobicContact CD1-CB 4.39Å; I30-N56 WeakPolarHBondContact CD1-OD1 3.31Å; I30-N56 HydrophobicContact CG1-CB 4.16Å; I30-N56 HydrophobicContact CG2-CB 3.66Å; P54-N56 VanDerWaalsContact C-N 3.34Å; N56-T153 WeakPolarHBondContact O-CA 3.37Å; N56-T153 VanDerWaalsContact OD1-CA 3.31Å; N56-T153 WeakPolarHBondContact OD1-CA 3.27Å; N56-T153 VanDerWaalsContact OD1-CB 3.26Å; N56-T153 WeakPolarHBondContact OD1-CB 3.24Å; N56-T153 WeakPolarHBondContact OD1-CG2 3.29Å; N56-T153 PolarHBondContact OD1-OG1 2.81Å; N56-M154 PolarHBondContact O-N 2.86Å
57	I	97.6	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.9	179.6	-67.2	162.5	0	0	0	109.8	I24 I27 P28 I29 I30 V45 A49 P54 I59 M154 V156	I24-I57 HydrophobicContact CB-CD1 4.22Å; I24-I57 HydrophobicContact CD1-CD1 3.59Å; I27-I57 HydrophobicContact CB-CD1 4.33Å; I27-I57 HydrophobicContact CG2-CD1 3.91Å; I27-I57 HydrophobicContact CG2-CG1 3.88Å; P28-I57 PolarHBondContact O-N 2.88Å; I29-I57 CarbonylContact C-O 3.57Å; I29-I57 WeakPolarHBondContact CA-O 2.99Å; I29-I57 HydrophobicContact CG1-CB 4.36Å; I30-I57 WeakPolarHBondContact CG1-O 3.37Å; I30-I57 PolarHBondContact N-O 3.16Å; V45-I57 HydrophobicContact CG1-CD1 4.4Å; A49-I57 HydrophobicContact CB-CD1 3.84Å; P54-I57 HydrophobicContact CG-CG1 4.36Å; I57-I59 HydrophobicContact CG2-CG1 4.41Å; I57-M154 CarbonylContact C-O 3.58Å; I57-M154 WeakPolarHBondContact CA-O 3.11Å; I57-M154 HydrophobicContact CG1-CB 4.33Å; I57-V156 HydrophobicContact CG2-CG2 3.88Å
58	Y	97.3	Very high	96.4	Very high	26 Å²	26	33 Å²	33	10%	0.102	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	111.5	177.9	-168.9	-64.9	0	0	0	109.2	I30 K31 V60 E66 M154 Y155 V156	I30-Y58 HydrophobicContact CD1-CD2 3.84Å; I30-Y58 HydrophobicContact CG1-CD2 4.06Å; K31-Y58 HydrophobicContact CB-CD1 3.93Å; K31-Y58 HydrophobicContact CB-CD2 3.61Å; K31-Y58 HydrophobicContact CB-CE1 3.84Å; K31-Y58 HydrophobicContact CB-CE2 3.55Å; K31-Y58 HydrophobicContact CB-CG 3.79Å; K31-Y58 HydrophobicContact CG-CD1 4.1Å; K31-Y58 HydrophobicContact CG-CD2 4.38Å; K31-Y58 HydrophobicContact CG-CE1 3.58Å; K31-Y58 HydrophobicContact CG-CE2 3.93Å; K31-Y58 HydrophobicContact CG-CG 4.45Å; K31-Y58 VanDerWaalsContact CG-CZ 3.48Å; Y58-V60 HydrophobicContact CD1-CG2 4.22Å; Y58-E66 HydrophobicContact CE1-CG 4.15Å; Y58-E66 WeakPolarHBondContact CE1-OE2 3.35Å; Y58-M154 PolarHBondContact N-O 3.13Å; Y58-Y155 AromaticContact CD1-CD1 3.84Å; Y58-Y155 HydrophobicContact CD1-CD1 3.84Å; Y58-Y155 HydrophobicContact CD1-CE1 4.2Å; Y58-Y155 HydrophobicContact CD2-CD1 4.47Å; Y58-Y155 HydrophobicContact CD2-CE1 4.12Å; Y58-Y155 AromaticContact CG-CD1 3.74Å; Y58-Y155 HydrophobicContact CG-CD1 3.74Å; Y58-Y155 AromaticContact CG-CE1 3.85Å; Y58-Y155 HydrophobicContact CG-CE1 3.85Å; Y58-Y155 CarbonylContact O-C 3.2Å; Y58-Y155 VanDerWaalsContact O-CA 3.3Å; Y58-Y155 WeakPolarHBondContact O-CA 3.21Å; Y58-V156 PolarHBondContact O-N 2.81Å
59	I	97.3	Very high	96.3	Very high	10 Å²	10	36.5 Å²	36.5	5%	0.051	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	117.8	176.8	-59.2	165.3	0	0	0	108.7	I29 K31 F34 L37 I57 D61 V156	I29-I59 HydrophobicContact CG2-CD1 4.41Å; K31-I59 PolarHBondContact O-N 3.01Å; F34-I59 HydrophobicContact CB-CD1 4.39Å; L37-I59 HydrophobicContact CD1-CD1 3.83Å; L37-I59 HydrophobicContact CD1-CG1 4.36Å; L37-I59 HydrophobicContact CD2-CD1 4.38Å; L37-I59 HydrophobicContact CD2-CG2 3.99Å; L37-I59 HydrophobicContact CG-CD1 4.15Å; I57-I59 HydrophobicContact CG2-CG1 4.41Å; I59-D61 PolarHBondContact O-N 3.4Å; I59-V156 HydrophobicContact CG1-CB 4.4Å; I59-V156 HydrophobicContact CG1-CG2 4.44Å
60	V	97.4	Very high	96.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	23%	0.23	C	C	.	.			trans	-74.2	123.4	-175.7	173.9	0	0	0	0	110.2	Y58 E66 Y155 V156 I157 V182	Y58-V60 HydrophobicContact CD1-CG2 4.22Å; V60-E66 WeakPolarHBondContact CA-OE2 3.26Å; V60-E66 VanDerWaalsContact CG1-OE1 3.29Å; V60-E66 WeakPolarHBondContact CG1-OE1 3.48Å; V60-Y155 HydrophobicContact CG2-CD1 4.48Å; V60-V156 VanDerWaalsContact CB-O 3.31Å; V60-V156 WeakPolarHBondContact CB-O 3.5Å; V60-V156 PolarHBondContact N-O 2.74Å; V60-I157 HydrophobicContact CG2-CG1 3.99Å; V60-V182 HydrophobicContact CG1-CG1 4.3Å; V60-V182 HydrophobicContact CG2-CG1 3.89Å
61	D	95.6	Very high	96.3	Very high	53 Å²	53	34 Å²	34	28%	0.283	21%	0.208	S	C	.	.			trans	-95.6	-18	179.6	67.2	29.7	0	0	0	113.2	K31 I59 S63 E66 G192 A193	K31-D61 WeakPolarHBondContact CE-OD2 3.27Å; K31-D61 IonicContact NZ-OD2 3.82Å; K31-D61 PolarHBondContact NZ-OD2 3.4Å; K31-D61 VanDerWaalsContact NZ-OD2 3.09Å; I59-D61 PolarHBondContact O-N 3.4Å; D61-S63 VanDerWaalsContact C-N 3.31Å; D61-S63 WeakPolarHBondContact OD1-CA 3.39Å; D61-S63 WeakPolarHBondContact OD1-CB 3.26Å; D61-S63 PolarHBondContact OD1-N 3.02Å; D61-S63 PolarHBondContact OD1-OG 3.22Å; D61-E66 PolarHBondContact N-OE2 2.85Å; D61-G192 WeakPolarHBondContact O-CA 3.38Å; D61-A193 PolarHBondContact O-N 2.82Å; D61-A193 VanDerWaalsContact O-N 3.11Å
62	G	94.4	Very high	96.3	Very high	26 Å²	26	33.9 Å²	33.9	27%	0.268	21%	0.212	S	C	.	.			trans	80.4	6.4	178.7	0	0	0	0	0	114.3	E66	G62-E66 WeakPolarHBondContact CA-OE1 3.48Å; G62-E66 PolarHBondContact N-OE1 3.39Å; G62-E66 VanDerWaalsContact N-OE1 3.11Å
63	S	95	Very high	96.1	Very high	43 Å²	43	36.7 Å²	36.7	30%	0.301	23%	0.225	S	C	.	.			trans	-69.9	155.4	-176.8	67.5	0	0	0	0	113	D61 Q65 E66 G67 R186	D61-S63 VanDerWaalsContact C-N 3.31Å; D61-S63 WeakPolarHBondContact OD1-CA 3.39Å; D61-S63 WeakPolarHBondContact OD1-CB 3.26Å; D61-S63 PolarHBondContact OD1-N 3.02Å; D61-S63 PolarHBondContact OD1-OG 3.22Å; S63-Q65 VanDerWaalsContact C-N 3.29Å; S63-Q65 PolarHBondContact O-N 3.5Å; S63-E66 PolarHBondContact O-N 3.11Å; S63-E66 WeakPolarHBondContact OG-CB 3.39Å; S63-E66 PolarHBondContact OG-N 3.39Å; S63-G67 PolarHBondContact O-N 3.48Å; S63-R186 VanDerWaalsContact O-CZ 3.24Å; S63-R186 PolarHBondContact O-NH1 2.88Å; S63-R186 PolarHBondContact O-NH2 3.06Å
64	V	93.5	Very high	96.1	Very high	122 Å²	122	35.3 Å²	35.3	74%	0.739	21%	0.211	S	C	*	.	H	α-helix	trans	-57.4	-44.6	174.6	177.9	0	0	0	0	110.7	E66 G67 V68	V64-E66 PolarHBondContact O-N 3.16Å; V64-G67 WeakPolarHBondContact O-CA 3.4Å; V64-G67 PolarHBondContact O-N 3.32Å; V64-V68 PolarHBondContact O-N 3.01Å; V64-V68 VanDerWaalsContact O-N 3.13Å
65	Q	95.1	Very high	96	Very high	114 Å²	114	38.3 Å²	38.3	53%	0.533	23%	0.225	S	C	.	.	H	α-helix	trans	-61.4	-44.7	-179.3	-172.6	60.8	50.4	0	0	112.4	S63 G67 V68 D69	S63-Q65 VanDerWaalsContact C-N 3.29Å; S63-Q65 PolarHBondContact O-N 3.5Å; Q65-G67 PolarHBondContact O-N 2.62Å; Q65-G67 VanDerWaalsContact O-N 3.12Å; Q65-V68 WeakPolarHBondContact O-CB 3.29Å; Q65-V68 PolarHBondContact O-N 3.41Å; Q65-V68 VanDerWaalsContact O-N 3.09Å; Q65-D69 PolarHBondContact NE2-OD1 3.12Å; Q65-D69 PolarHBondContact O-N 3.48Å
66	E	95.6	Very high	95.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-54.8	-33.8	173.8	173.3	-168.9	83	0	0	111.8	Y58 V60 D61 G62 S63 V64 D69 I70 R186	Y58-E66 HydrophobicContact CE1-CG 4.15Å; Y58-E66 WeakPolarHBondContact CE1-OE2 3.35Å; V60-E66 WeakPolarHBondContact CA-OE2 3.26Å; V60-E66 VanDerWaalsContact CG1-OE1 3.29Å; V60-E66 WeakPolarHBondContact CG1-OE1 3.48Å; D61-E66 PolarHBondContact N-OE2 2.85Å; G62-E66 WeakPolarHBondContact CA-OE1 3.48Å; G62-E66 PolarHBondContact N-OE1 3.39Å; G62-E66 VanDerWaalsContact N-OE1 3.11Å; S63-E66 PolarHBondContact O-N 3.11Å; S63-E66 WeakPolarHBondContact OG-CB 3.39Å; S63-E66 PolarHBondContact OG-N 3.39Å; V64-E66 PolarHBondContact O-N 3.16Å; E66-D69 PolarHBondContact O-N 3.25Å; E66-I70 HydrophobicContact CG-CD1 3.82Å; E66-I70 HydrophobicContact CG-CG1 4.44Å; E66-I70 WeakPolarHBondContact O-CB 3.41Å; E66-I70 VanDerWaalsContact O-CG1 3.31Å; E66-I70 WeakPolarHBondContact O-CG1 3.39Å; E66-I70 PolarHBondContact O-N 2.92Å; E66-R186 IonicContact OE1-CZ 3.95Å; E66-R186 IonicContact OE1-NH1 3.8Å; E66-R186 PolarHBondContact OE1-NH1 3.44Å
67	G	94.8	Very high	95.7	Very high	5 Å²	5	47.1 Å²	47.1	5%	0.052	26%	0.256	C	S	.	.	H	α-helix	trans	-71.7	-41.6	-179	0	0	0	0	0	111.2	S63 V64 Q65 T71 R186	S63-G67 PolarHBondContact O-N 3.48Å; V64-G67 WeakPolarHBondContact O-CA 3.4Å; V64-G67 PolarHBondContact O-N 3.32Å; Q65-G67 PolarHBondContact O-N 2.62Å; Q65-G67 VanDerWaalsContact O-N 3.12Å; G67-T71 WeakPolarHBondContact O-CB 3.2Å; G67-T71 PolarHBondContact O-N 2.81Å; G67-T71 PolarHBondContact O-OG1 3.33Å; G67-R186 VanDerWaalsContact CA-CZ 3.46Å
68	V	95.4	Very high	95.5	Very high	85 Å²	85	48 Å²	48	52%	0.515	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-47.3	173.1	176.1	0	0	0	0	110.3	V64 Q65 T71 G72	V64-V68 PolarHBondContact O-N 3.01Å; V64-V68 VanDerWaalsContact O-N 3.13Å; Q65-V68 WeakPolarHBondContact O-CB 3.29Å; Q65-V68 PolarHBondContact O-N 3.41Å; Q65-V68 VanDerWaalsContact O-N 3.09Å; V68-T71 PolarHBondContact O-N 3.22Å; V68-G72 PolarHBondContact O-N 3.38Å
69	D	95.8	Very high	95.4	Very high	79 Å²	79	47.9 Å²	47.9	42%	0.422	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-50.1	-176.9	-61.3	-17.1	0	0	0	111.8	Q65 E66 T71 G72 E73	Q65-D69 PolarHBondContact NE2-OD1 3.12Å; Q65-D69 PolarHBondContact O-N 3.48Å; E66-D69 PolarHBondContact O-N 3.25Å; D69-T71 VanDerWaalsContact C-N 3.34Å; D69-T71 PolarHBondContact O-N 3.45Å; D69-G72 PolarHBondContact O-N 3.35Å; D69-E73 PolarHBondContact O-N 3.38Å
70	I	96.2	Very high	95.3	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-39.9	179.1	-67.1	175.3	0	0	0	110.8	E66 G72 E73 M74 Y155 P179 V182 M183	E66-I70 HydrophobicContact CG-CD1 3.82Å; E66-I70 HydrophobicContact CG-CG1 4.44Å; E66-I70 WeakPolarHBondContact O-CB 3.41Å; E66-I70 VanDerWaalsContact O-CG1 3.31Å; E66-I70 WeakPolarHBondContact O-CG1 3.39Å; E66-I70 PolarHBondContact O-N 2.92Å; I70-G72 VanDerWaalsContact C-N 3.35Å; I70-E73 PolarHBondContact O-N 2.71Å; I70-M74 HydrophobicContact CG2-CG 4.39Å; I70-M74 HydrophobicContact CG2-SD 4.07Å; I70-M74 WeakPolarHBondContact O-CB 3.38Å; I70-M74 VanDerWaalsContact O-CG 3.25Å; I70-M74 WeakPolarHBondContact O-CG 3.35Å; I70-M74 PolarHBondContact O-N 3.24Å; I70-Y155 HydrophobicContact CD1-CE1 4.28Å; I70-P179 HydrophobicContact CG2-CB 3.71Å; I70-V182 HydrophobicContact CD1-CB 4.42Å; I70-V182 HydrophobicContact CD1-CG1 3.71Å; I70-M183 HydrophobicContact CB-SD 3.93Å; I70-M183 HydrophobicContact CG2-CG 3.75Å; I70-M183 HydrophobicContact CG2-SD 3.79Å
71	T	96.3	Very high	95.3	Very high	9 Å²	9	51.3 Å²	51.3	6%	0.055	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-45.2	175.8	-58.8	0	0	0	0	110.9	G67 V68 D69 E73 M74 M75 L80 F90 M183	G67-T71 WeakPolarHBondContact O-CB 3.2Å; G67-T71 PolarHBondContact O-N 2.81Å; G67-T71 PolarHBondContact O-OG1 3.33Å; V68-T71 PolarHBondContact O-N 3.22Å; D69-T71 VanDerWaalsContact C-N 3.34Å; D69-T71 PolarHBondContact O-N 3.45Å; T71-E73 PolarHBondContact O-N 3.38Å; T71-M74 PolarHBondContact O-N 3.03Å; T71-M75 HydrophobicContact CG2-CE 4.02Å; T71-M75 HydrophobicContact CG2-CG 4.49Å; T71-M75 HydrophobicContact CG2-SD 4.29Å; T71-M75 WeakPolarHBondContact O-CG 3.4Å; T71-M75 PolarHBondContact O-N 2.88Å; T71-L80 HydrophobicContact CG2-CD1 4.45Å; T71-F90 HydrophobicContact CG2-CD1 3.87Å; T71-F90 HydrophobicContact CG2-CD2 4.41Å; T71-F90 HydrophobicContact CG2-CE1 3.27Å; T71-F90 HydrophobicContact CG2-CE2 3.9Å; T71-F90 HydrophobicContact CG2-CG 4.4Å; T71-F90 HydrophobicContact CG2-CZ 3.3Å; T71-M183 VanDerWaalsContact OG1-CE 3.26Å; T71-M183 WeakPolarHBondContact OG1-CE 3.47Å
72	G	96.4	Very high	95.3	Very high	21 Å²	21	52.5 Å²	52.5	22%	0.216	29%	0.29	C	S	.	.	H	α-helix	trans	-53.7	-52.1	174.1	0	0	0	0	0	112.2	V68 D69 I70 M74 M75 E76	V68-G72 PolarHBondContact O-N 3.38Å; D69-G72 PolarHBondContact O-N 3.35Å; I70-G72 VanDerWaalsContact C-N 3.35Å; G72-M74 VanDerWaalsContact C-N 3.29Å; G72-M74 PolarHBondContact O-N 3.01Å; G72-M75 PolarHBondContact O-N 3.11Å; G72-M75 VanDerWaalsContact O-N 3.16Å; G72-E76 WeakPolarHBondContact O-CG 3.02Å; G72-E76 PolarHBondContact O-N 3.33Å
73	E	94.7	Very high	95.4	Very high	59 Å²	59	51.4 Å²	51.4	28%	0.276	28%	0.278	S	S	.	.	H	α-helix	trans	-58.3	-39.7	177.7	-177	-175.8	178.1	0	0	112.5	D69 I70 T71 K77	D69-E73 PolarHBondContact O-N 3.38Å; I70-E73 PolarHBondContact O-N 2.71Å; T71-E73 PolarHBondContact O-N 3.38Å; E73-K77 HydrophobicContact CG-CD 4.32Å; E73-K77 VanDerWaalsContact O-CG 3.32Å; E73-K77 WeakPolarHBondContact O-CG 3.37Å; E73-K77 PolarHBondContact O-N 3.04Å; E73-K77 IonicContact OE1-NZ 3.19Å; E73-K77 PolarHBondContact OE1-NZ 3.35Å
74	M	97.3	Very high	95.4	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-69.5	-37.5	178.4	-72.4	179.9	77.4	0	0	112.5	I70 T71 G72 K77 G78 M79 L80 P179 Y180 M183	I70-M74 HydrophobicContact CG2-CG 4.39Å; I70-M74 HydrophobicContact CG2-SD 4.07Å; I70-M74 WeakPolarHBondContact O-CB 3.38Å; I70-M74 VanDerWaalsContact O-CG 3.25Å; I70-M74 WeakPolarHBondContact O-CG 3.35Å; I70-M74 PolarHBondContact O-N 3.24Å; T71-M74 PolarHBondContact O-N 3.03Å; G72-M74 VanDerWaalsContact C-N 3.29Å; G72-M74 PolarHBondContact O-N 3.01Å; M74-K77 PolarHBondContact O-N 3.39Å; M74-G78 PolarHBondContact O-N 3.22Å; M74-M79 HydrophobicContact CB-CB 4.32Å; M74-M79 HydrophobicContact CE-CB 4.28Å; M74-M79 HydrophobicContact CE-CE 4.28Å; M74-M79 PolarHBondContact O-N 2.85Å; M74-L80 HydrophobicContact CB-CB 4.27Å; M74-L80 HydrophobicContact CB-CD1 3.81Å; M74-L80 HydrophobicContact CB-CG 3.99Å; M74-L80 HydrophobicContact CE-CD1 3.63Å; M74-L80 HydrophobicContact CE-CD2 4.23Å; M74-L80 HydrophobicContact CE-CG 3.63Å; M74-L80 HydrophobicContact CG-CD1 4.39Å; M74-L80 PolarHBondContact O-N 2.94Å; M74-L80 HydrophobicContact SD-CD1 3.64Å; M74-L80 HydrophobicContact SD-CG 4.27Å; M74-P179 HydrophobicContact CG-CB 3.81Å; M74-P179 HydrophobicContact CG-CG 3.84Å; M74-P179 HydrophobicContact SD-CB 3.86Å; M74-P179 HydrophobicContact SD-CG 4.26Å; M74-Y180 HydrophobicContact CE-CD2 4.26Å; M74-Y180 HydrophobicContact CE-CG 4.41Å; M74-M183 HydrophobicContact SD-CG 3.92Å
75	M	96.1	Very high	95.5	Very high	71 Å²	71	54.2 Å²	54.2	35%	0.35	29%	0.285	S	S	.	.	H	α-helix	trans	-67.2	-44.8	175.8	-70.2	-176.2	-61.8	0	0	111.4	T71 G72 K77 G78 L80 T82 F90	T71-M75 HydrophobicContact CG2-CE 4.02Å; T71-M75 HydrophobicContact CG2-CG 4.49Å; T71-M75 HydrophobicContact CG2-SD 4.29Å; T71-M75 WeakPolarHBondContact O-CG 3.4Å; T71-M75 PolarHBondContact O-N 2.88Å; G72-M75 PolarHBondContact O-N 3.11Å; G72-M75 VanDerWaalsContact O-N 3.16Å; M75-K77 PolarHBondContact O-N 2.77Å; M75-G78 PolarHBondContact O-N 3.25Å; M75-L80 HydrophobicContact CG-CB 4.18Å; M75-T82 HydrophobicContact SD-CG2 3.46Å; M75-T82 WeakPolarHBondContact SD-CG2 3.45Å; M75-F90 HydrophobicContact SD-CD1 4.3Å; M75-F90 HydrophobicContact SD-CE1 3.92Å
76	E	95.3	Very high	95.5	Very high	173 Å²	173	50 Å²	50	81%	0.808	27%	0.266	S	S	*	.	H	α-helix	trans	-57.9	-32.3	176	-73	177.6	-179.9	0	0	112.5	G72	G72-E76 WeakPolarHBondContact O-CG 3.02Å; G72-E76 PolarHBondContact O-N 3.33Å
77	K	93.1	Very high	95.5	Very high	89 Å²	89	56 Å²	56	39%	0.387	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-2.7	177	-67.7	173.8	-173.8	173.7	0	114.1	E73 M74 M75 M79	E73-K77 HydrophobicContact CG-CD 4.32Å; E73-K77 VanDerWaalsContact O-CG 3.32Å; E73-K77 WeakPolarHBondContact O-CG 3.37Å; E73-K77 PolarHBondContact O-N 3.04Å; E73-K77 IonicContact OE1-NZ 3.19Å; E73-K77 PolarHBondContact OE1-NZ 3.35Å; M74-K77 PolarHBondContact O-N 3.39Å; M75-K77 PolarHBondContact O-N 2.77Å; K77-M79 VanDerWaalsContact C-N 3.28Å; K77-M79 HydrophobicContact CB-CG 4.2Å; K77-M79 PolarHBondContact O-N 3.29Å
78	G	93.9	Very high	95.6	Very high	18 Å²	18	60.1 Å²	60.1	19%	0.186	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	20.7	-177.2	0	0	0	0	0	114.6	M74 M75 F81	M74-G78 PolarHBondContact O-N 3.22Å; M75-G78 PolarHBondContact O-N 3.25Å; G78-F81 WeakPolarHBondContact O-CZ 3.47Å
79	M	94.9	Very high	95.7	Very high	25 Å²	25	56.2 Å²	56.2	12%	0.123	29%	0.291	C	S	.	.	S	Bend	trans	-82.6	-26.5	176	-64.7	-178.8	64.9	0	0	112.6	M74 K77 S92 P179 Q224	M74-M79 HydrophobicContact CB-CB 4.32Å; M74-M79 HydrophobicContact CE-CB 4.28Å; M74-M79 HydrophobicContact CE-CE 4.28Å; M74-M79 PolarHBondContact O-N 2.85Å; K77-M79 VanDerWaalsContact C-N 3.28Å; K77-M79 HydrophobicContact CB-CG 4.2Å; K77-M79 PolarHBondContact O-N 3.29Å; M79-S92 PolarHBondContact O-OG 3.22Å; M79-P179 HydrophobicContact CE-CG 4.28Å; M79-P179 HydrophobicContact SD-CG 4.29Å; M79-Q224 HydrophobicContact CG-CB 4.45Å
80	L	95.4	Very high	95.8	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.016	28%	0.275	C	S	.	.			trans	-127.9	144.8	175.5	-71.1	178.6	0	0	0	110.4	T71 M74 M75 F90 L91 I371	T71-L80 HydrophobicContact CG2-CD1 4.45Å; M74-L80 HydrophobicContact CB-CB 4.27Å; M74-L80 HydrophobicContact CB-CD1 3.81Å; M74-L80 HydrophobicContact CB-CG 3.99Å; M74-L80 HydrophobicContact CE-CD1 3.63Å; M74-L80 HydrophobicContact CE-CD2 4.23Å; M74-L80 HydrophobicContact CE-CG 3.63Å; M74-L80 HydrophobicContact CG-CD1 4.39Å; M74-L80 PolarHBondContact O-N 2.94Å; M74-L80 HydrophobicContact SD-CD1 3.64Å; M74-L80 HydrophobicContact SD-CG 4.27Å; M75-L80 HydrophobicContact CG-CB 4.18Å; L80-F90 HydrophobicContact CB-CB 4.46Å; L80-F90 HydrophobicContact CD1-CB 4.34Å; L80-F90 HydrophobicContact CD1-CG 4.45Å; L80-F90 HydrophobicContact CD2-CB 4.1Å; L80-L91 CarbonylContact C-O 3.58Å; L80-L91 WeakPolarHBondContact CA-O 3.17Å; L80-I371 HydrophobicContact CD2-CG2 4.28Å
81	F	95.7	Very high	95.9	Very high	80 Å²	80	53.2 Å²	53.2	35%	0.351	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.8	173.6	-55.9	-87.1	0	0	0	108.8	G78 F90 L91	G78-F81 WeakPolarHBondContact O-CZ 3.47Å; F81-F90 CarbonylContact O-C 3.5Å; F81-F90 VanDerWaalsContact O-CA 3.23Å; F81-F90 WeakPolarHBondContact O-CA 3.31Å; F81-L91 HydrophobicContact CB-CB 4.43Å; F81-L91 PolarHBondContact N-O 3.48Å; F81-L91 PolarHBondContact O-N 2.93Å
82	T	96.3	Very high	96	Very high	78 Å²	78	52.9 Å²	52.9	48%	0.479	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	148.1	175.4	50.5	0	0	0	0	110.8	M75 P84 F90	M75-T82 HydrophobicContact SD-CG2 3.46Å; M75-T82 WeakPolarHBondContact SD-CG2 3.45Å; T82-P84 WeakPolarHBondContact O-CD 3.43Å; T82-F90 HydrophobicContact CG2-CD1 4.29Å; T82-F90 HydrophobicContact CG2-CE1 4.07Å
83	L	97.2	Very high	96.1	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	27%	0.265	C	S	.	.			trans	-112	86.9	173.6	-68.6	165.8	0	0	0	108.8	K85 M86 C89 L91 F372 E377 G381 V383	L83-K85 PolarHBondContact O-N 3.38Å; L83-K85 VanDerWaalsContact O-N 3.08Å; L83-M86 HydrophobicContact CB-CB 4.35Å; L83-M86 HydrophobicContact CB-CG 4.45Å; L83-M86 HydrophobicContact CB-SD 4.19Å; L83-M86 HydrophobicContact CD1-SD 4.08Å; L83-M86 PolarHBondContact O-N 3.23Å; L83-M86 VanDerWaalsContact O-O 3.06Å; L83-C89 HydrophobicContact CB-CB 4.16Å; L83-C89 HydrophobicContact CD1-CB 4.1Å; L83-C89 PolarHBondContact N-O 3.49Å; L83-L91 HydrophobicContact CD1-CB 4.22Å; L83-L91 HydrophobicContact CD2-CB 4.24Å; L83-L91 HydrophobicContact CG-CB 4.24Å; L83-F372 HydrophobicContact CD1-CD2 3.66Å; L83-F372 HydrophobicContact CD1-CE2 4.24Å; L83-F372 HydrophobicContact CD1-CG 4.45Å; L83-E377 HydrophobicContact CD2-CG 4.24Å; L83-G381 CarbonylContact C-O 3.56Å; L83-G381 WeakPolarHBondContact CA-O 3.23Å; L83-V383 HydrophobicContact CD1-CG1 3.6Å; L83-V383 HydrophobicContact CD2-CG1 3.98Å; L83-V383 HydrophobicContact CG-CG1 4.43Å
84	P	95.2	Very high	96.2	Very high	102 Å²	102	49.9 Å²	49.9	66%	0.662	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-12.9	-166.7	25.4	-34.6	0	0	0	114.8	T82 M86	T82-P84 WeakPolarHBondContact O-CD 3.43Å; P84-M86 PolarHBondContact O-N 3.16Å
85	K	94.8	Very high	96.2	Very high	123 Å²	123	50 Å²	50	54%	0.535	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-8.5	172.6	-165.1	173.7	174	178.9	0	113	L83 D380 G381	L83-K85 PolarHBondContact O-N 3.38Å; L83-K85 VanDerWaalsContact O-N 3.08Å; K85-D380 WeakPolarHBondContact CE-OD2 3.43Å; K85-D380 IonicContact NZ-OD1 3.09Å; K85-D380 IonicContact NZ-OD2 3.68Å; K85-D380 PolarHBondContact NZ-OD2 3.45Å; K85-G381 VanDerWaalsContact CB-O 3.31Å; K85-G381 WeakPolarHBondContact CB-O 3.25Å; K85-G381 PolarHBondContact N-O 3.1Å; K85-G381 VanDerWaalsContact N-O 3.13Å
86	M	95.1	Very high	96.3	Very high	24 Å²	24	49.1 Å²	49.1	12%	0.118	25%	0.252	C	S	.	.	S	Bend	trans	-128.3	150.6	-169.9	-55.6	177.9	73.5	0	0	109.6	L83 P84 N88 C89 M367 F372 V383	L83-M86 HydrophobicContact CB-CB 4.35Å; L83-M86 HydrophobicContact CB-CG 4.45Å; L83-M86 HydrophobicContact CB-SD 4.19Å; L83-M86 HydrophobicContact CD1-SD 4.08Å; L83-M86 PolarHBondContact O-N 3.23Å; L83-M86 VanDerWaalsContact O-O 3.06Å; P84-M86 PolarHBondContact O-N 3.16Å; M86-N88 PolarHBondContact O-N 3.15Å; M86-C89 HydrophobicContact CB-CB 3.68Å; M86-C89 HydrophobicContact CE-CB 4.44Å; M86-C89 HydrophobicContact SD-CB 4.4Å; M86-M367 HydrophobicContact CE-CB 4.41Å; M86-M367 HydrophobicContact CE-SD 3.4Å; M86-M367 WeakPolarHBondContact CE-SD 3.36Å; M86-F372 HydrophobicContact CE-CE2 3.5Å; M86-F372 VanDerWaalsContact CE-CE2 3.5Å; M86-F372 HydrophobicContact CE-CZ 3.6Å; M86-F372 HydrophobicContact SD-CE2 4.17Å; M86-V383 HydrophobicContact CE-CG2 4.33Å; M86-V383 HydrophobicContact SD-CG1 4.05Å; M86-V383 HydrophobicContact SD-CG2 4.03Å
87	E	96.1	Very high	96.3	Very high	127 Å²	127	46.7 Å²	46.7	59%	0.593	24%	0.236	S	C	*	.	B	Isolated β-bridge	trans	-83.8	112.2	-174.8	-175.3	-169.7	158.2	0	0	110.9	C89 M367 K368 N369	E87-C89 VanDerWaalsContact C-N 3.29Å; E87-C89 PolarHBondContact O-N 2.8Å; E87-M367 PolarHBondContact N-O 3.41Å; E87-K368 HydrophobicContact CB-CB 3.86Å; E87-K368 HydrophobicContact CG-CB 4.45Å; E87-K368 CarbonylContact O-C 3.57Å; E87-K368 WeakPolarHBondContact O-CA 3.19Å; E87-K368 WeakPolarHBondContact O-CB 3.41Å; E87-N369 PolarHBondContact O-N 2.64Å
88	N	96.1	Very high	96.5	Very high	91 Å²	91	42.8 Å²	42.8	49%	0.487	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	43.3	177.7	-168.5	37.8	0	0	0	113.2	M86 F90 N369	M86-N88 PolarHBondContact O-N 3.15Å; N88-F90 WeakPolarHBondContact O-CE2 3.45Å; N88-F90 VanDerWaalsContact OD1-CE2 3.31Å; N88-F90 WeakPolarHBondContact OD1-CE2 3.3Å; N88-F90 VanDerWaalsContact OD1-CZ 3.24Å; N88-F90 WeakPolarHBondContact OD1-CZ 3.21Å; N88-N369 WeakPolarHBondContact CB-OD1 3.28Å; N88-N369 PolarHBondContact ND2-OD1 2.87Å; N88-N369 VanDerWaalsContact O-CA 3.23Å; N88-N369 WeakPolarHBondContact O-CA 3.31Å; N88-N369 PolarHBondContact O-N 3.37Å
89	C	98.1	Very high	96.6	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.02	22%	0.216	C	C	.	.			trans	-108.9	147.5	177.9	-72.8	0	0	0	0	111.6	L83 M86 E87 K368 T370 F372	L83-C89 HydrophobicContact CB-CB 4.16Å; L83-C89 HydrophobicContact CD1-CB 4.1Å; L83-C89 PolarHBondContact N-O 3.49Å; M86-C89 HydrophobicContact CB-CB 3.68Å; M86-C89 HydrophobicContact CE-CB 4.44Å; M86-C89 HydrophobicContact SD-CB 4.4Å; E87-C89 VanDerWaalsContact C-N 3.29Å; E87-C89 PolarHBondContact O-N 2.8Å; C89-K368 VanDerWaalsContact SG-C 3.57Å; C89-K368 VanDerWaalsContact SG-CA 3.51Å; C89-T370 VanDerWaalsContact CA-O 3.27Å; C89-T370 WeakPolarHBondContact CA-O 3.44Å; C89-F372 HydrophobicContact CB-CE2 4.32Å
90	F	98.1	Very high	96.5	Very high	18 Å²	18	42.3 Å²	42.3	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.5	-176	-52.5	-83.3	0	0	0	111.5	T71 M75 L80 F81 T82 N88 T370 I371 F372	T71-F90 HydrophobicContact CG2-CD1 3.87Å; T71-F90 HydrophobicContact CG2-CD2 4.41Å; T71-F90 HydrophobicContact CG2-CE1 3.27Å; T71-F90 HydrophobicContact CG2-CE2 3.9Å; T71-F90 HydrophobicContact CG2-CG 4.4Å; T71-F90 HydrophobicContact CG2-CZ 3.3Å; M75-F90 HydrophobicContact SD-CD1 4.3Å; M75-F90 HydrophobicContact SD-CE1 3.92Å; L80-F90 HydrophobicContact CB-CB 4.46Å; L80-F90 HydrophobicContact CD1-CB 4.34Å; L80-F90 HydrophobicContact CD1-CG 4.45Å; L80-F90 HydrophobicContact CD2-CB 4.1Å; F81-F90 CarbonylContact O-C 3.5Å; F81-F90 VanDerWaalsContact O-CA 3.23Å; F81-F90 WeakPolarHBondContact O-CA 3.31Å; T82-F90 HydrophobicContact CG2-CD1 4.29Å; T82-F90 HydrophobicContact CG2-CE1 4.07Å; N88-F90 WeakPolarHBondContact O-CE2 3.45Å; N88-F90 VanDerWaalsContact OD1-CE2 3.31Å; N88-F90 WeakPolarHBondContact OD1-CE2 3.3Å; N88-F90 VanDerWaalsContact OD1-CZ 3.24Å; N88-F90 WeakPolarHBondContact OD1-CZ 3.21Å; F90-T370 PolarHBondContact N-O 3.4Å; F90-I371 HydrophobicContact CD2-CG1 4.44Å; F90-F372 PolarHBondContact O-N 3.48Å
91	L	98.3	Very high	96.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.8	173.4	176.6	61.1	0	0	0	110.1	L80 F81 L83 F372 V375 E377	L80-L91 CarbonylContact C-O 3.58Å; L80-L91 WeakPolarHBondContact CA-O 3.17Å; F81-L91 HydrophobicContact CB-CB 4.43Å; F81-L91 PolarHBondContact N-O 3.48Å; F81-L91 PolarHBondContact O-N 2.93Å; L83-L91 HydrophobicContact CD1-CB 4.22Å; L83-L91 HydrophobicContact CD2-CB 4.24Å; L83-L91 HydrophobicContact CG-CB 4.24Å; L91-F372 HydrophobicContact CD1-CB 4.16Å; L91-V375 HydrophobicContact CD1-CG2 3.53Å; L91-E377 HydrophobicContact CD2-CB 3.82Å; L91-E377 HydrophobicContact CD2-CG 4.41Å
92	S	98	Very high	96.1	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.7	165.3	-158.7	0	0	0	0	110.5	M79 F372 T373 N374	M79-S92 PolarHBondContact O-OG 3.22Å; S92-F372 PolarHBondContact N-O 3.01Å; S92-T373 VanDerWaalsContact O-CA 3.32Å; S92-T373 WeakPolarHBondContact O-CA 3.31Å; S92-N374 PolarHBondContact O-N 2.84Å
93	R	98.1	Very high	95.9	Very high	17 Å²	17	38 Å²	38	6%	0.064	19%	0.192	C	C	.	.			trans	-118.2	128.6	173.8	-65.2	-179.8	-177.9	92.5	-0.6	108.2	S223 N374 E377 N401 W402	R93-S223 WeakPolarHBondContact O-CB 3.3Å; R93-N374 WeakPolarHBondContact CA-OD1 3.49Å; R93-E377 IonicContact CZ-OE2 3.26Å; R93-E377 IonicContact NH1-OE2 2.71Å; R93-E377 IonicContact NH2-OE2 2.6Å; R93-E377 PolarHBondContact NH2-OE2 2.93Å; R93-N401 PolarHBondContact NE-O 3.13Å; R93-W402 WeakPolarHBondContact CD-O 3.42Å; R93-W402 WeakPolarHBondContact CG-O 3.38Å
94	T	98.1	Very high	95.7	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	21%	0.212	C	C	.	.			trans	-94	169.7	-175.8	73.1	0	0	0	0	112	D98 V99 W225 T373 N374	T94-D98 PolarHBondContact OG1-O 2.98Å; T94-D98 VanDerWaalsContact OG1-O 3.1Å; T94-V99 WeakPolarHBondContact OG1-CG1 3.17Å; T94-W225 HydrophobicContact CG2-CD2 3.75Å; T94-W225 HydrophobicContact CG2-CE3 3.84Å; T94-W225 HydrophobicContact CG2-CG 4.43Å; T94-W225 HydrophobicContact CG2-CH2 3.76Å; T94-W225 HydrophobicContact CG2-CZ2 3.64Å; T94-W225 HydrophobicContact CG2-CZ3 3.86Å; T94-T373 HydrophobicContact CG2-CG2 3.65Å; T94-N374 PolarHBondContact N-OD1 2.99Å; T94-N374 PolarHBondContact OG1-ND2 2.8Å; T94-N374 PolarHBondContact OG1-OD1 2.82Å
95	D	97.5	Very high	95.8	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	19%	0.194	C	C	.	.			trans	-62	132.8	160.3	-173.4	-49.3	0	0	0	108	R97 D98 I222 W225 C227	D95-R97 PolarHBondContact O-N 2.78Å; D95-R97 VanDerWaalsContact OD1-CB 3.28Å; D95-R97 WeakPolarHBondContact OD1-CB 3.26Å; D95-R97 WeakPolarHBondContact OD1-CG 3.22Å; D95-R97 IonicContact OD1-CZ 2.84Å; D95-R97 PolarHBondContact OD1-N 2.86Å; D95-R97 IonicContact OD1-NE 2.66Å; D95-R97 PolarHBondContact OD1-NE 2.89Å; D95-R97 IonicContact OD1-NH2 3.14Å; D95-R97 IonicContact OD2-CZ 2.53Å; D95-R97 IonicContact OD2-NE 2.81Å; D95-R97 PolarHBondContact OD2-NE 2.91Å; D95-R97 IonicContact OD2-NH2 3.79Å; D95-R97 PolarHBondContact OD2-NH2 2.84Å; D95-D98 CarbonylContact O-C 3.53Å; D95-D98 PolarHBondContact O-N 3.2Å; D95-I222 HydrophobicContact CB-CB 4.48Å; D95-W225 HydrophobicContact CB-CB 4.48Å; D95-W225 HydrophobicContact CB-CG 4.46Å; D95-W225 VanDerWaalsContact N-CD1 3.27Å; D95-C227 VanDerWaalsContact CB-SG 3.56Å
96	P	96.5	Very high	95.9	Very high	52 Å²	52	33.9 Å²	33.9	34%	0.338	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-17.4	178.5	-28.5	37.4	0	0	0	114.9	D98 V99 W402 L403	P96-D98 VanDerWaalsContact C-N 3.32Å; P96-V99 WeakPolarHBondContact O-CG1 3.31Å; P96-W402 HydrophobicContact CB-CH2 3.88Å; P96-W402 HydrophobicContact CB-CZ3 4.32Å; P96-W402 HydrophobicContact CG-CH2 4.18Å; P96-W402 HydrophobicContact CG-CZ3 4.3Å; P96-L403 HydrophobicContact CB-CD2 4.31Å; P96-L403 HydrophobicContact CG-CD2 3.5Å; P96-L403 VanDerWaalsContact CG-CD2 3.5Å
97	R	96	Very high	96.1	Very high	123 Å²	123	34.6 Å²	34.6	46%	0.464	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-4.3	175.6	-58.4	172.7	-66.1	161	2.7	113.3	D95 P229 E230	D95-R97 PolarHBondContact O-N 2.78Å; D95-R97 VanDerWaalsContact OD1-CB 3.28Å; D95-R97 WeakPolarHBondContact OD1-CB 3.26Å; D95-R97 WeakPolarHBondContact OD1-CG 3.22Å; D95-R97 IonicContact OD1-CZ 2.84Å; D95-R97 PolarHBondContact OD1-N 2.86Å; D95-R97 IonicContact OD1-NE 2.66Å; D95-R97 PolarHBondContact OD1-NE 2.89Å; D95-R97 IonicContact OD1-NH2 3.14Å; D95-R97 IonicContact OD2-CZ 2.53Å; D95-R97 IonicContact OD2-NE 2.81Å; D95-R97 PolarHBondContact OD2-NE 2.91Å; D95-R97 IonicContact OD2-NH2 3.79Å; D95-R97 PolarHBondContact OD2-NH2 2.84Å; R97-P229 HydrophobicContact CB-CB 4.01Å; R97-P229 HydrophobicContact CB-CG 3.62Å; R97-E230 IonicContact NH1-OE1 2.68Å; R97-E230 PolarHBondContact NH1-OE1 3.46Å
98	D	97.3	Very high	96.2	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.037	15%	0.147	C	C	.	.	S	Bend	trans	-131.9	66.1	-177.6	-168.8	26.1	0	0	0	111.3	T94 D95 P96 W225 C227 S248 G249 Y250	T94-D98 PolarHBondContact OG1-O 2.98Å; T94-D98 VanDerWaalsContact OG1-O 3.1Å; D95-D98 CarbonylContact O-C 3.53Å; D95-D98 PolarHBondContact O-N 3.2Å; P96-D98 VanDerWaalsContact C-N 3.32Å; D98-W225 PolarHBondContact OD2-NE1 3.13Å; D98-C227 HydrophobicContact CB-CB 4.01Å; D98-C227 WeakPolarHBondContact OD2-CB 3.48Å; D98-S248 VanDerWaalsContact OD1-CB 3.28Å; D98-S248 WeakPolarHBondContact OD1-CB 3.44Å; D98-S248 PolarHBondContact OD1-OG 3.31Å; D98-G249 PolarHBondContact OD2-N 3.26Å; D98-Y250 WeakPolarHBondContact OD1-CB 3.37Å
99	V	95.9	Very high	96.3	Very high	19 Å²	19	24.7 Å²	24.7	12%	0.115	13%	0.126	C	C	.	.	S	Bend	trans	-126.2	-4.8	-168.3	-64.6	0	0	0	0	114.9	T94 P96 Y250 W402 H417 N419	T94-V99 WeakPolarHBondContact OG1-CG1 3.17Å; P96-V99 WeakPolarHBondContact O-CG1 3.31Å; V99-Y250 VanDerWaalsContact O-CE2 3.25Å; V99-Y250 WeakPolarHBondContact O-CE2 3.43Å; V99-Y250 PolarHBondContact O-OH 2.88Å; V99-W402 HydrophobicContact CG1-CH2 3.97Å; V99-W402 HydrophobicContact CG1-CZ3 3.72Å; V99-H417 WeakPolarHBondContact CG2-NE2 3.43Å; V99-N419 PolarHBondContact O-ND2 2.85Å
100	A	92.5	Very high	96.2	Very high	14 Å²	14	25.1 Å²	25.1	12%	0.116	13%	0.129	C	C	.	.	S	Bend	trans	-157.1	174.4	-174.4	0	0	0	0	0	111.5	Y250 N253	A100-Y250 VanDerWaalsContact CA-CE1 3.47Å; A100-N253 PolarHBondContact O-ND2 3.42Å
101	R	90.6	Very high	96.1	Very high	17 Å²	17	30 Å²	30	6%	0.064	16%	0.162	C	C	.	.			trans	-70.1	142.8	167.8	-67.3	175.1	-63.3	135.5	5.8	109.9	A483 A484 P500	R101-A483 PolarHBondContact NE-O 3.12Å; R101-A483 PolarHBondContact NH2-O 3.11Å; R101-A484 WeakPolarHBondContact O-CA 3.2Å; R101-P500 VanDerWaalsContact NH1-CG 3.29Å
102	V	91.5	Very high	96	Very high	30 Å²	30	33.9 Å²	33.9	18%	0.182	18%	0.183	C	C	.	.			trans	-110.3	89.5	175.2	-75.8	0	0	0	0	108.9	S104 K105 T106 T232 I234	V102-S104 VanDerWaalsContact C-N 3.29Å; V102-S104 PolarHBondContact O-N 3.34Å; V102-K105 HydrophobicContact CB-CB 4.1Å; V102-K105 HydrophobicContact CB-CD 4.25Å; V102-K105 HydrophobicContact CB-CG 4.43Å; V102-K105 HydrophobicContact CG2-CB 3.79Å; V102-K105 HydrophobicContact CG2-CD 4.16Å; V102-K105 HydrophobicContact CG2-CG 4.46Å; V102-K105 CarbonylContact O-C 3.46Å; V102-K105 PolarHBondContact O-N 2.77Å; V102-K105 VanDerWaalsContact O-N 3.08Å; V102-T106 PolarHBondContact O-N 3.22Å; V102-T106 PolarHBondContact O-OG1 2.86Å; V102-T232 HydrophobicContact CG2-CG2 3.74Å; V102-I234 HydrophobicContact CG2-CD1 3.67Å
103	E	92.3	Very high	96	Very high	24 Å²	24	38 Å²	38	11%	0.112	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-61.2	-41.1	-174.3	-66.6	178	-174.2	0	0	110.6	K105 T106 N130 A484 E485 H486 R499 P500	E103-K105 PolarHBondContact O-N 3.09Å; E103-K105 VanDerWaalsContact O-N 3.12Å; E103-T106 WeakPolarHBondContact O-CB 3.35Å; E103-T106 PolarHBondContact O-N 3.38Å; E103-N130 PolarHBondContact O-ND2 2.89Å; E103-A484 HydrophobicContact CG-CB 4.09Å; E103-A484 VanDerWaalsContact OE1-CB 3.3Å; E103-A484 WeakPolarHBondContact OE1-CB 3.44Å; E103-E485 PolarHBondContact N-OE1 2.77Å; E103-H486 IonicContact OE1-NE2 2.74Å; E103-H486 IonicContact OE2-CD2 3.38Å; E103-H486 IonicContact OE2-CE1 3.88Å; E103-H486 IonicContact OE2-NE2 3.92Å; E103-H486 PolarHBondContact OE2-NE2 2.92Å; E103-R499 IonicContact OE1-NH2 3.49Å; E103-R499 PolarHBondContact OE1-NH2 3.46Å; E103-R499 IonicContact OE2-CZ 2.97Å; E103-R499 IonicContact OE2-NH2 2.7Å; E103-R499 PolarHBondContact OE2-NH2 3.03Å; E103-P500 HydrophobicContact CG-CB 4.03Å; E103-P500 VanDerWaalsContact OE1-CB 3.24Å; E103-P500 WeakPolarHBondContact OE1-CB 3.36Å
104	S	93.9	Very high	95.9	Very high	61 Å²	61	40.4 Å²	40.4	43%	0.427	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-57.5	-21.9	174.6	63.6	0	0	0	0	114.8	V102 F107 E485	V102-S104 VanDerWaalsContact C-N 3.29Å; V102-S104 PolarHBondContact O-N 3.34Å; S104-F107 WeakPolarHBondContact O-CZ 3.5Å; S104-E485 WeakPolarHBondContact CB-OE1 3.42Å; S104-E485 PolarHBondContact N-OE1 2.63Å; S104-E485 PolarHBondContact OG-OE1 2.81Å; S104-E485 PolarHBondContact OG-OE2 3.49Å
105	K	96.6	Very high	95.9	Very high	67 Å²	67	41.6 Å²	41.6	29%	0.291	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-109.8	12.7	178.8	-64.1	175.6	172.8	178.8	0	112.8	V102 E103 F107 P229 T232 I234	V102-K105 HydrophobicContact CB-CB 4.1Å; V102-K105 HydrophobicContact CB-CD 4.25Å; V102-K105 HydrophobicContact CB-CG 4.43Å; V102-K105 HydrophobicContact CG2-CB 3.79Å; V102-K105 HydrophobicContact CG2-CD 4.16Å; V102-K105 HydrophobicContact CG2-CG 4.46Å; V102-K105 CarbonylContact O-C 3.46Å; V102-K105 PolarHBondContact O-N 2.77Å; V102-K105 VanDerWaalsContact O-N 3.08Å; E103-K105 PolarHBondContact O-N 3.09Å; E103-K105 VanDerWaalsContact O-N 3.12Å; K105-F107 WeakPolarHBondContact O-CD2 3.19Å; K105-F107 WeakPolarHBondContact O-CE2 3.08Å; K105-P229 PolarHBondContact NZ-O 3.12Å; K105-T232 HydrophobicContact CD-CG2 4.32Å; K105-T232 WeakPolarHBondContact CD-O 3.47Å; K105-I234 PolarHBondContact O-N 2.96Å
106	T	98	Very high	95.9	Very high	11 Å²	11	41.6 Å²	41.6	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.7	-179.4	-57.4	0	0	0	0	110.2	V102 E103 N130 I234	V102-T106 PolarHBondContact O-N 3.22Å; V102-T106 PolarHBondContact O-OG1 2.86Å; E103-T106 WeakPolarHBondContact O-CB 3.35Å; E103-T106 PolarHBondContact O-N 3.38Å; T106-N130 WeakPolarHBondContact O-CB 3.35Å; T106-N130 PolarHBondContact O-ND2 3.16Å; T106-N130 VanDerWaalsContact O-ND2 3.16Å; T106-I234 CarbonylContact C-O 3.59Å; T106-I234 VanDerWaalsContact CA-O 3.23Å; T106-I234 WeakPolarHBondContact CA-O 3.39Å; T106-I234 HydrophobicContact CG2-CB 4.31Å; T106-I234 HydrophobicContact CG2-CG2 4.35Å
107	F	98.3	Very high	95.9	Very high	39 Å²	39	39.3 Å²	39.3	17%	0.171	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.9	-170.8	-55	-85.3	0	0	0	112.5	S104 K105 N130 M132 I233 I234 A235 H236	S104-F107 WeakPolarHBondContact O-CZ 3.5Å; K105-F107 WeakPolarHBondContact O-CD2 3.19Å; K105-F107 WeakPolarHBondContact O-CE2 3.08Å; F107-N130 WeakPolarHBondContact CA-O 3.49Å; F107-N130 HydrophobicContact CD1-CB 3.57Å; F107-N130 HydrophobicContact CE1-CB 3.89Å; F107-N130 HydrophobicContact CG-CB 4.45Å; F107-M132 HydrophobicContact CB-CB 4.07Å; F107-M132 HydrophobicContact CD1-CB 4.09Å; F107-M132 HydrophobicContact CD1-CE 3.99Å; F107-M132 HydrophobicContact CD2-CE 3.77Å; F107-M132 HydrophobicContact CE1-CE 4.01Å; F107-M132 HydrophobicContact CE2-CE 3.77Å; F107-M132 HydrophobicContact CG-CB 4.19Å; F107-M132 HydrophobicContact CG-CE 3.88Å; F107-M132 HydrophobicContact CZ-CE 3.9Å; F107-I233 HydrophobicContact CD2-CD1 4.16Å; F107-I233 HydrophobicContact CD2-CG1 3.92Å; F107-I233 HydrophobicContact CE2-CD1 4.33Å; F107-I233 HydrophobicContact CE2-CG1 4.11Å; F107-I234 PolarHBondContact N-O 2.95Å; F107-A235 CarbonylContact O-C 3.31Å; F107-A235 WeakPolarHBondContact O-CA 3.36Å; F107-H236 PolarHBondContact O-N 2.9Å; F107-H236 PolarHBondContact O-ND1 2.87Å
108	M	98	Very high	96	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.02	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.9	157.7	-52.4	-68.5	-52.9	0	0	108.5	T116 N130 W131 M132 H236 P238 R264 G503	M108-T116 HydrophobicContact CB-CG2 3.52Å; M108-T116 HydrophobicContact CG-CG2 3.9Å; M108-N130 PolarHBondContact N-O 3.44Å; M108-W131 WeakPolarHBondContact O-CA 3.35Å; M108-M132 PolarHBondContact O-N 3.5Å; M108-M132 VanDerWaalsContact O-N 3.07Å; M108-H236 HydrophobicContact CE-CB 3.56Å; M108-H236 HydrophobicContact SD-CB 3.47Å; M108-H236 WeakPolarHBondContact SD-CB 3.27Å; M108-P238 HydrophobicContact CE-CB 3.93Å; M108-P238 HydrophobicContact CE-CG 3.75Å; M108-R264 HydrophobicContact SD-CB 3.99Å; M108-G503 VanDerWaalsContact CE-O 3.29Å; M108-G503 WeakPolarHBondContact CE-O 3.43Å
109	S	98.1	Very high	96	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.042	20%	0.2	C	C	.	.			trans	-120.9	115.3	175.7	-171.3	0	0	0	0	111.1	M132 P134 H236 P238	S109-M132 WeakPolarHBondContact CA-O 3.29Å; S109-M132 VanDerWaalsContact CB-O 3.31Å; S109-M132 WeakPolarHBondContact CB-O 3.46Å; S109-M132 PolarHBondContact OG-O 3.5Å; S109-P134 WeakPolarHBondContact OG-CA 3.37Å; S109-H236 PolarHBondContact N-O 2.84Å; S109-P238 WeakPolarHBondContact O-CD 3.34Å
110	T	97.7	Very high	96.1	Very high	13 Å²	13	37.2 Å²	37.2	8%	0.08	20%	0.204	C	C	.	.			trans	-134.3	147.1	-178.6	47.7	0	0	0	0	108.4	D112 A115 T116 W131 P238	T110-D112 VanDerWaalsContact C-N 3.28Å; T110-D112 PolarHBondContact O-N 2.95Å; T110-D112 PolarHBondContact OG1-O 2.78Å; T110-A115 HydrophobicContact CG2-CB 4.48Å; T110-T116 VanDerWaalsContact CG2-OG1 3.32Å; T110-T116 WeakPolarHBondContact CG2-OG1 3.06Å; T110-T116 PolarHBondContact OG1-OG1 2.88Å; T110-W131 PolarHBondContact O-NE1 2.87Å; T110-W131 VanDerWaalsContact OG1-CD1 3.24Å; T110-W131 PolarHBondContact OG1-NE1 3.17Å; T110-W131 VanDerWaalsContact OG1-NE1 3.13Å; T110-P238 HydrophobicContact CG2-CG 3.66Å
111	P	96	Very high	96.3	Very high	119 Å²	119	38.1 Å²	38.1	77%	0.773	21%	0.211	S	C	*	.	S	Bend	trans	-56.7	-43.2	177.7	-26.6	35.2	0	0	0	112.7
112	D	96.2	Very high	96.4	Very high	82 Å²	82	43.7 Å²	43.7	44%	0.439	25%	0.25	S	C	.	.	S	Bend	trans	-95.5	120	173.1	171.3	24.3	0	0	0	110.7	T110 F114 A115	T110-D112 VanDerWaalsContact C-N 3.28Å; T110-D112 PolarHBondContact O-N 2.95Å; T110-D112 PolarHBondContact OG1-O 2.78Å; D112-F114 PolarHBondContact O-N 2.72Å; D112-F114 PolarHBondContact OD1-N 2.64Å; D112-A115 HydrophobicContact CB-CB 4.29Å; D112-A115 VanDerWaalsContact O-CB 3.28Å; D112-A115 WeakPolarHBondContact O-CB 3.28Å; D112-A115 PolarHBondContact O-N 2.88Å; D112-A115 VanDerWaalsContact O-N 3.08Å; D112-A115 PolarHBondContact OD2-N 2.83Å
113	K	96.4	Very high	96.6	Very high	90 Å²	90	46.5 Å²	46.5	39%	0.391	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-51.1	-42.6	175	177.1	177.6	175.8	-174.8	0	112.4	A115 T116 V117 W131	K113-A115 PolarHBondContact O-N 3.29Å; K113-T116 PolarHBondContact O-N 3.32Å; K113-V117 HydrophobicContact CD-CG2 4.29Å; K113-V117 HydrophobicContact CG-CG2 3.59Å; K113-V117 WeakPolarHBondContact O-CG2 3.41Å; K113-V117 PolarHBondContact O-N 3.02Å; K113-W131 VanDerWaalsContact CA-CE2 3.48Å; K113-W131 HydrophobicContact CB-CD2 3.75Å; K113-W131 HydrophobicContact CB-CE3 3.96Å; K113-W131 HydrophobicContact CB-CG 4.27Å; K113-W131 HydrophobicContact CB-CH2 4.06Å; K113-W131 HydrophobicContact CB-CZ2 3.89Å; K113-W131 HydrophobicContact CB-CZ3 4.11Å; K113-W131 HydrophobicContact CD-CD2 4.42Å; K113-W131 HydrophobicContact CD-CE3 3.92Å; K113-W131 HydrophobicContact CD-CZ3 4.15Å; K113-W131 HydrophobicContact CG-CB 4.34Å; K113-W131 HydrophobicContact CG-CD2 3.72Å; K113-W131 HydrophobicContact CG-CE3 3.73Å; K113-W131 HydrophobicContact CG-CG 4.02Å; K113-W131 HydrophobicContact CG-CZ3 4.23Å
114	F	97.3	Very high	96.7	Very high	66 Å²	66	47.1 Å²	47.1	29%	0.289	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-82.4	1.1	-174.3	-58.8	-66.6	0	0	0	113.6	D112 T116 V117 H119 N505	D112-F114 PolarHBondContact O-N 2.72Å; D112-F114 PolarHBondContact OD1-N 2.64Å; F114-T116 VanDerWaalsContact C-N 3.31Å; F114-V117 CarbonylContact C-O 3.56Å; F114-V117 VanDerWaalsContact CA-O 3.28Å; F114-V117 WeakPolarHBondContact CA-O 3.31Å; F114-V117 HydrophobicContact CD1-CG2 4.46Å; F114-H119 HydrophobicContact CD1-CB 4.48Å; F114-H119 AromaticContact CD1-CD2 3.5Å; F114-H119 AromaticContact CD1-CE1 3.8Å; F114-H119 AromaticContact CD1-CG 3.69Å; F114-H119 AromaticContact CD1-ND1 3.86Å; F114-H119 AromaticContact CD1-NE2 3.59Å; F114-H119 AromaticContact CD2-CD2 3.84Å; F114-H119 AromaticContact CD2-NE2 3.32Å; F114-H119 VanDerWaalsContact CD2-NE2 3.32Å; F114-H119 WeakPolarHBondContact CD2-NE2 3.37Å; F114-H119 HydrophobicContact CE1-CB 4.34Å; F114-H119 AromaticContact CE1-CD2 3.44Å; F114-H119 VanDerWaalsContact CE1-CD2 3.44Å; F114-H119 WeakPolarHBondContact CE1-CD2 3.37Å; F114-H119 AromaticContact CE1-CG 3.82Å; F114-H119 AromaticContact CE1-NE2 3.93Å; F114-H119 AromaticContact CE2-CD2 3.76Å; F114-H119 AromaticContact CE2-NE2 3.67Å; F114-H119 AromaticContact CG-CD2 3.7Å; F114-H119 AromaticContact CG-CE1 3.51Å; F114-H119 AromaticContact CG-NE2 3.26Å; F114-H119 VanDerWaalsContact CG-NE2 3.26Å; F114-H119 WeakPolarHBondContact CG-NE2 3.47Å; F114-H119 AromaticContact CZ-CD2 3.56Å; F114-H119 AromaticContact CZ-NE2 3.96Å; F114-N505 WeakPolarHBondContact O-CB 3.32Å; F114-N505 PolarHBondContact O-ND2 2.9Å; F114-N505 VanDerWaalsContact O-ND2 3.09Å
115	A	97	Very high	96.7	Very high	27 Å²	27	49.2 Å²	49.2	22%	0.223	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-74.8	-24.2	161	0	0	0	0	0	112.1	T110 D112 K113 Y504 N505	T110-A115 HydrophobicContact CG2-CB 4.48Å; D112-A115 HydrophobicContact CB-CB 4.29Å; D112-A115 VanDerWaalsContact O-CB 3.28Å; D112-A115 WeakPolarHBondContact O-CB 3.28Å; D112-A115 PolarHBondContact O-N 2.88Å; D112-A115 VanDerWaalsContact O-N 3.08Å; D112-A115 PolarHBondContact OD2-N 2.83Å; K113-A115 PolarHBondContact O-N 3.29Å; A115-Y504 WeakPolarHBondContact O-CA 3.24Å; A115-Y504 WeakPolarHBondContact O-CB 3.19Å; A115-N505 PolarHBondContact O-N 2.87Å
116	T	97.3	Very high	96.6	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.012	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-55.9	179.8	-70.4	0	0	0	0	112.6	M108 T110 K113 F114 A129 W131 Y504 N505	M108-T116 HydrophobicContact CB-CG2 3.52Å; M108-T116 HydrophobicContact CG-CG2 3.9Å; T110-T116 VanDerWaalsContact CG2-OG1 3.32Å; T110-T116 WeakPolarHBondContact CG2-OG1 3.06Å; T110-T116 PolarHBondContact OG1-OG1 2.88Å; K113-T116 PolarHBondContact O-N 3.32Å; F114-T116 VanDerWaalsContact C-N 3.31Å; T116-A129 HydrophobicContact CG2-CB 3.96Å; T116-W131 HydrophobicContact CG2-CB 3.96Å; T116-Y504 CarbonylContact O-C 3.45Å; T116-N505 WeakPolarHBondContact O-CA 3.43Å; T116-N505 PolarHBondContact O-N 2.97Å; T116-N505 VanDerWaalsContact O-N 3.09Å
117	V	97	Very high	96.5	Very high	5 Å²	5	50 Å²	50	3%	0.03	31%	0.308	C	S	.	.	S	Bend	trans	-103.3	163	-178.5	-62	0	0	0	0	110.6	K113 F114 P126 A129 W131 N505	K113-V117 HydrophobicContact CD-CG2 4.29Å; K113-V117 HydrophobicContact CG-CG2 3.59Å; K113-V117 WeakPolarHBondContact O-CG2 3.41Å; K113-V117 PolarHBondContact O-N 3.02Å; F114-V117 CarbonylContact C-O 3.56Å; F114-V117 VanDerWaalsContact CA-O 3.28Å; F114-V117 WeakPolarHBondContact CA-O 3.31Å; F114-V117 HydrophobicContact CD1-CG2 4.46Å; V117-P126 HydrophobicContact CB-CB 4.21Å; V117-P126 HydrophobicContact CB-CG 4.24Å; V117-P126 HydrophobicContact CG1-CB 4.1Å; V117-P126 HydrophobicContact CG1-CG 4.3Å; V117-A129 HydrophobicContact CG1-CB 4.21Å; V117-A129 WeakPolarHBondContact CG1-O 3.4Å; V117-W131 HydrophobicContact CG1-CB 4.06Å; V117-W131 HydrophobicContact CG2-CB 4.49Å; V117-N505 PolarHBondContact O-ND2 3.18Å
118	T	97.9	Very high	96.3	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.025	30%	0.302	C	S	.	.			trans	-80.5	162.3	173.2	40.1	0	0	0	0	111.8	C120 N505 F506 Q614 V615 D618	T118-C120 PolarHBondContact O-N 3.05Å; T118-N505 WeakPolarHBondContact CG2-OD1 3.47Å; T118-F506 HydrophobicContact CG2-CB 4.13Å; T118-Q614 VanDerWaalsContact CB-O 3.28Å; T118-Q614 WeakPolarHBondContact CB-O 3.44Å; T118-Q614 PolarHBondContact OG1-O 2.86Å; T118-V615 HydrophobicContact CG2-CG1 4.06Å; T118-D618 WeakPolarHBondContact CA-OD2 3.22Å; T118-D618 HydrophobicContact CG2-CB 4.2Å
119	H	97.6	Very high	96.2	Very high	71 Å²	71	49 Å²	49	33%	0.329	31%	0.307	S	S	.	.			trans	-74.7	73.6	169.4	-63.7	89.5	0	0	0	110.3	F114 P617 D618	F114-H119 HydrophobicContact CD1-CB 4.48Å; F114-H119 AromaticContact CD1-CD2 3.5Å; F114-H119 AromaticContact CD1-CE1 3.8Å; F114-H119 AromaticContact CD1-CG 3.69Å; F114-H119 AromaticContact CD1-ND1 3.86Å; F114-H119 AromaticContact CD1-NE2 3.59Å; F114-H119 AromaticContact CD2-CD2 3.84Å; F114-H119 AromaticContact CD2-NE2 3.32Å; F114-H119 VanDerWaalsContact CD2-NE2 3.32Å; F114-H119 WeakPolarHBondContact CD2-NE2 3.37Å; F114-H119 HydrophobicContact CE1-CB 4.34Å; F114-H119 AromaticContact CE1-CD2 3.44Å; F114-H119 VanDerWaalsContact CE1-CD2 3.44Å; F114-H119 WeakPolarHBondContact CE1-CD2 3.37Å; F114-H119 AromaticContact CE1-CG 3.82Å; F114-H119 AromaticContact CE1-NE2 3.93Å; F114-H119 AromaticContact CE2-CD2 3.76Å; F114-H119 AromaticContact CE2-NE2 3.67Å; F114-H119 AromaticContact CG-CD2 3.7Å; F114-H119 AromaticContact CG-CE1 3.51Å; F114-H119 AromaticContact CG-NE2 3.26Å; F114-H119 VanDerWaalsContact CG-NE2 3.26Å; F114-H119 WeakPolarHBondContact CG-NE2 3.47Å; F114-H119 AromaticContact CZ-CD2 3.56Å; F114-H119 AromaticContact CZ-NE2 3.96Å; H119-P617 HydrophobicContact CB-CG 3.68Å; H119-D618 IonicContact CE1-OD1 3.79Å; H119-D618 IonicContact CE1-OD2 2.9Å; H119-D618 IonicContact CG-OD2 2.74Å; H119-D618 PolarHBondContact N-OD2 3.15Å; H119-D618 VanDerWaalsContact ND1-CG 3.3Å; H119-D618 IonicContact ND1-OD1 3.79Å; H119-D618 PolarHBondContact ND1-OD1 2.86Å; H119-D618 IonicContact ND1-OD2 2.87Å; H119-D618 PolarHBondContact ND1-OD2 2.83Å
120	C	97	Very high	96.1	Very high	29 Å²	29	51 Å²	51	20%	0.196	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-61.8	155.3	175.8	-56.1	0	0	0	0	111.8	T118 V124 E613 Q614	T118-C120 PolarHBondContact O-N 3.05Å; C120-V124 HydrophobicContact CB-CB 4.22Å; C120-V124 HydrophobicContact CB-CG1 4.29Å; C120-E613 CarbonylContact C-O 3.55Å; C120-E613 WeakPolarHBondContact CA-O 3.32Å; C120-E613 VanDerWaalsContact CB-O 3.29Å; C120-E613 WeakPolarHBondContact CB-O 3.37Å; C120-Q614 PolarHBondContact SG-O 2.8Å
121	A	96.9	Very high	96.1	Very high	33 Å²	33	53.8 Å²	53.8	27%	0.273	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-60	153.5	174.4	0	0	0	0	0	111.7	G123 V124 E613	A121-G123 PolarHBondContact O-N 3.03Å; A121-V124 HydrophobicContact CB-CG2 3.98Å; A121-V124 WeakPolarHBondContact O-CB 3.42Å; A121-V124 PolarHBondContact O-N 2.79Å; A121-E613 HydrophobicContact CB-CG 4.48Å; A121-E613 PolarHBondContact N-O 2.85Å
122	P	94.3	Very high	96.2	Very high	134 Å²	134	48.5 Å²	48.5	87%	0.87	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	130.5	179.3	-26.8	35.1	0	0	0	112.6	V124	P122-V124 VanDerWaalsContact C-N 3.27Å; P122-V124 PolarHBondContact O-N 3.05Å
123	G	94.2	Very high	96.3	Very high	89 Å²	89	46 Å²	46	92%	0.918	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-3.7	-179.4	0	0	0	0	0	115.4	A121	A121-G123 PolarHBondContact O-N 3.03Å
124	V	95.7	Very high	96.3	Very high	38 Å²	38	43.9 Å²	43.9	23%	0.23	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-90.2	124.7	177.6	179.1	0	0	0	0	110.4	C120 A121 P122 E613	C120-V124 HydrophobicContact CB-CB 4.22Å; C120-V124 HydrophobicContact CB-CG1 4.29Å; A121-V124 HydrophobicContact CB-CG2 3.98Å; A121-V124 WeakPolarHBondContact O-CB 3.42Å; A121-V124 PolarHBondContact O-N 2.79Å; P122-V124 VanDerWaalsContact C-N 3.27Å; P122-V124 PolarHBondContact O-N 3.05Å; V124-E613 HydrophobicContact CG1-CB 4.37Å; V124-E613 HydrophobicContact CG2-CB 4.2Å; V124-E613 HydrophobicContact CG2-CG 4.39Å
125	T	93.6	Very high	96.3	Very high	105 Å²	105	47.3 Å²	47.3	64%	0.644	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-76.5	128.4	172.9	-57.2	0	0	0	0	110	I127 Q614	T125-I127 PolarHBondContact O-N 2.66Å; T125-Q614 PolarHBondContact O-NE2 2.75Å; T125-Q614 PolarHBondContact O-OE1 2.76Å
126	P	94.8	Very high	96.4	Very high	28 Å²	28	50.5 Å²	50.5	18%	0.182	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-61	132.1	175.1	-19.3	29.7	0	0	0	111.5	V117	V117-P126 HydrophobicContact CB-CB 4.21Å; V117-P126 HydrophobicContact CB-CG 4.24Å; V117-P126 HydrophobicContact CG1-CB 4.1Å; V117-P126 HydrophobicContact CG1-CG 4.3Å
127	I	94.5	Very high	96.4	Very high	65 Å²	65	50.5 Å²	50.5	33%	0.333	31%	0.307	S	S	.	.	S	Bend	trans	-100.9	-14.9	177.9	72.6	172.5	0	0	0	114.2	T125 H493 R499 F610 Q614	T125-I127 PolarHBondContact O-N 2.66Å; I127-H493 HydrophobicContact CD1-CB 4.23Å; I127-R499 VanDerWaalsContact O-CG 3.23Å; I127-R499 WeakPolarHBondContact O-CG 3.11Å; I127-F610 HydrophobicContact CD1-CE2 3.77Å; I127-F610 HydrophobicContact CG1-CE2 4.4Å; I127-Q614 HydrophobicContact CG1-CG 4.45Å
128	M	95.5	Very high	96.5	Very high	7 Å²	7	50.9 Å²	50.9	3%	0.034	31%	0.311	C	S	.	.	S	Bend	trans	-83.8	-26.4	-174.8	-65	-57.2	-69.2	0	0	113.3	P495 R499 M502 F506	M128-P495 HydrophobicContact CE-CB 4.07Å; M128-P495 HydrophobicContact CE-CG 4.08Å; M128-P495 HydrophobicContact SD-CB 4.49Å; M128-P495 HydrophobicContact SD-CG 3.84Å; M128-R499 CarbonylContact C-O 3.58Å; M128-R499 HydrophobicContact CE-CB 4.39Å; M128-R499 HydrophobicContact SD-CB 4.02Å; M128-R499 HydrophobicContact SD-CG 3.97Å; M128-M502 HydrophobicContact CE-CE 3.7Å; M128-M502 WeakPolarHBondContact O-CB 3.34Å; M128-F506 HydrophobicContact CB-CB 4.25Å; M128-F506 HydrophobicContact CE-CB 4.29Å; M128-F506 HydrophobicContact CE-CD1 4.12Å; M128-F506 HydrophobicContact CE-CD2 3.65Å; M128-F506 HydrophobicContact CE-CE1 4.39Å; M128-F506 HydrophobicContact CE-CE2 3.93Å; M128-F506 HydrophobicContact CE-CG 3.75Å; M128-F506 HydrophobicContact CE-CZ 4.3Å; M128-F506 HydrophobicContact CG-CB 4.06Å; M128-F506 HydrophobicContact CG-CD1 4.13Å; M128-F506 HydrophobicContact CG-CG 4.16Å
129	A	94.6	Very high	96.5	Very high	15 Å²	15	56.4 Å²	56.4	12%	0.124	34%	0.337	C	S	.	.			trans	-163.3	153.4	176.1	0	0	0	0	0	109.8	T116 V117	T116-A129 HydrophobicContact CG2-CB 3.96Å; V117-A129 HydrophobicContact CG1-CB 4.21Å; V117-A129 WeakPolarHBondContact CG1-O 3.4Å
130	N	96.8	Very high	96.5	Very high	50 Å²	50	55.5 Å²	55.5	27%	0.267	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.7	165.8	-55.4	-59.6	0	0	0	109.6	E103 T106 F107 M108	E103-N130 PolarHBondContact O-ND2 2.89Å; T106-N130 WeakPolarHBondContact O-CB 3.35Å; T106-N130 PolarHBondContact O-ND2 3.16Å; T106-N130 VanDerWaalsContact O-ND2 3.16Å; F107-N130 WeakPolarHBondContact CA-O 3.49Å; F107-N130 HydrophobicContact CD1-CB 3.57Å; F107-N130 HydrophobicContact CE1-CB 3.89Å; F107-N130 HydrophobicContact CG-CB 4.45Å; M108-N130 PolarHBondContact N-O 3.44Å
131	W	97.8	Very high	96.6	Very high	71 Å²	71	54.1 Å²	54.1	27%	0.269	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.1	175.1	176.2	83.1	0	0	0	111	M108 T110 K113 T116 V117	M108-W131 WeakPolarHBondContact O-CA 3.35Å; T110-W131 PolarHBondContact O-NE1 2.87Å; T110-W131 VanDerWaalsContact OG1-CD1 3.24Å; T110-W131 PolarHBondContact OG1-NE1 3.17Å; T110-W131 VanDerWaalsContact OG1-NE1 3.13Å; K113-W131 VanDerWaalsContact CA-CE2 3.48Å; K113-W131 HydrophobicContact CB-CD2 3.75Å; K113-W131 HydrophobicContact CB-CE3 3.96Å; K113-W131 HydrophobicContact CB-CG 4.27Å; K113-W131 HydrophobicContact CB-CH2 4.06Å; K113-W131 HydrophobicContact CB-CZ2 3.89Å; K113-W131 HydrophobicContact CB-CZ3 4.11Å; K113-W131 HydrophobicContact CD-CD2 4.42Å; K113-W131 HydrophobicContact CD-CE3 3.92Å; K113-W131 HydrophobicContact CD-CZ3 4.15Å; K113-W131 HydrophobicContact CG-CB 4.34Å; K113-W131 HydrophobicContact CG-CD2 3.72Å; K113-W131 HydrophobicContact CG-CE3 3.73Å; K113-W131 HydrophobicContact CG-CG 4.02Å; K113-W131 HydrophobicContact CG-CZ3 4.23Å; T116-W131 HydrophobicContact CG2-CB 3.96Å; V117-W131 HydrophobicContact CG1-CB 4.06Å; V117-W131 HydrophobicContact CG2-CB 4.49Å
132	M	97.7	Very high	96.6	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.034	32%	0.322	C	S	.	.			trans	-130	131.2	171.9	-177.2	-179.9	-73.6	0	0	108.8	F107 M108 S109 Q136 L137 E140 I233	F107-M132 HydrophobicContact CB-CB 4.07Å; F107-M132 HydrophobicContact CD1-CB 4.09Å; F107-M132 HydrophobicContact CD1-CE 3.99Å; F107-M132 HydrophobicContact CD2-CE 3.77Å; F107-M132 HydrophobicContact CE1-CE 4.01Å; F107-M132 HydrophobicContact CE2-CE 3.77Å; F107-M132 HydrophobicContact CG-CB 4.19Å; F107-M132 HydrophobicContact CG-CE 3.88Å; F107-M132 HydrophobicContact CZ-CE 3.9Å; M108-M132 PolarHBondContact O-N 3.5Å; M108-M132 VanDerWaalsContact O-N 3.07Å; S109-M132 WeakPolarHBondContact CA-O 3.29Å; S109-M132 VanDerWaalsContact CB-O 3.31Å; S109-M132 WeakPolarHBondContact CB-O 3.46Å; S109-M132 PolarHBondContact OG-O 3.5Å; M132-Q136 HydrophobicContact CG-CB 3.88Å; M132-Q136 HydrophobicContact CG-CG 3.86Å; M132-Q136 HydrophobicContact SD-CG 4.17Å; M132-L137 HydrophobicContact CG-CB 4.17Å; M132-L137 VanDerWaalsContact SD-CA 3.56Å; M132-L137 HydrophobicContact SD-CB 3.87Å; M132-L137 HydrophobicContact SD-CD1 3.98Å; M132-E140 HydrophobicContact CE-CG 4.11Å; M132-E140 HydrophobicContact SD-CB 4.49Å; M132-E140 HydrophobicContact SD-CG 3.91Å; M132-I233 HydrophobicContact CE-CD1 3.95Å; M132-I233 HydrophobicContact SD-CD1 4.2Å
133	S	98	Very high	96.8	Very high	31 Å²	31	52.1 Å²	52.1	22%	0.217	30%	0.3	C	S	.	.			trans	-60.6	150	-179.7	73.9	0	0	0	0	111	D135 Q136 L137	S133-D135 PolarHBondContact O-N 2.86Å; S133-Q136 PolarHBondContact O-N 3.04Å; S133-Q136 VanDerWaalsContact OG-CB 3.28Å; S133-Q136 WeakPolarHBondContact OG-CB 3.28Å; S133-Q136 PolarHBondContact OG-N 2.92Å; S133-Q136 VanDerWaalsContact OG-N 3.12Å; S133-L137 WeakPolarHBondContact O-CB 3.43Å; S133-L137 PolarHBondContact O-N 2.82Å
134	P	97.7	Very high	97	Very high	45 Å²	45	49.2 Å²	49.2	29%	0.292	26%	0.262	S	S	.	.	H	α-helix	trans	-54.4	-38.4	176.8	-29.5	37	0	0	0	113.5	S109 L137 A138	S109-P134 WeakPolarHBondContact OG-CA 3.37Å; P134-L137 PolarHBondContact O-N 2.81Å; P134-A138 WeakPolarHBondContact O-CB 3.46Å; P134-A138 PolarHBondContact O-N 2.74Å
135	D	97.3	Very high	97.1	Very high	137 Å²	137	47.4 Å²	47.4	73%	0.733	25%	0.251	S	S	*	.	H	α-helix	trans	-69.2	-42.4	178.8	-66.8	-19	0	0	0	112.3	S133 A138 Q139	S133-D135 PolarHBondContact O-N 2.86Å; D135-A138 WeakPolarHBondContact O-CB 3.5Å; D135-A138 PolarHBondContact O-N 2.81Å; D135-Q139 PolarHBondContact O-N 3.23Å; D135-Q139 VanDerWaalsContact O-N 3.16Å
136	Q	98	Very high	97.3	Very high	95 Å²	95	45 Å²	45	44%	0.444	24%	0.237	S	C	.	.	H	α-helix	trans	-65.4	-44.6	175.2	-176	-179.8	3.7	0	0	110.4	M132 S133 A138 Q139 E140	M132-Q136 HydrophobicContact CG-CB 3.88Å; M132-Q136 HydrophobicContact CG-CG 3.86Å; M132-Q136 HydrophobicContact SD-CG 4.17Å; S133-Q136 PolarHBondContact O-N 3.04Å; S133-Q136 VanDerWaalsContact OG-CB 3.28Å; S133-Q136 WeakPolarHBondContact OG-CB 3.28Å; S133-Q136 PolarHBondContact OG-N 2.92Å; S133-Q136 VanDerWaalsContact OG-N 3.12Å; Q136-A138 VanDerWaalsContact C-N 3.3Å; Q136-A138 PolarHBondContact O-N 2.76Å; Q136-Q139 PolarHBondContact O-N 2.9Å; Q136-Q139 VanDerWaalsContact O-N 3.12Å; Q136-E140 HydrophobicContact CG-CG 4.38Å; Q136-E140 WeakPolarHBondContact O-CG 3.48Å; Q136-E140 PolarHBondContact O-N 3.05Å
137	L	98.3	Very high	97.4	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-44.9	176.9	177.2	61.2	0	0	0	110.8	M132 S133 P134 Q139 E140 L141 I233 A235 R237	M132-L137 HydrophobicContact CG-CB 4.17Å; M132-L137 VanDerWaalsContact SD-CA 3.56Å; M132-L137 HydrophobicContact SD-CB 3.87Å; M132-L137 HydrophobicContact SD-CD1 3.98Å; S133-L137 WeakPolarHBondContact O-CB 3.43Å; S133-L137 PolarHBondContact O-N 2.82Å; P134-L137 PolarHBondContact O-N 2.81Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 2.53Å; L137-E140 PolarHBondContact O-N 2.92Å; L137-L141 HydrophobicContact CD1-CD1 4.12Å; L137-L141 HydrophobicContact CD1-CD2 4.09Å; L137-L141 HydrophobicContact CD1-CG 3.85Å; L137-L141 HydrophobicContact CD2-CD1 4.44Å; L137-L141 HydrophobicContact CG-CD1 3.92Å; L137-L141 HydrophobicContact CG-CG 4.11Å; L137-L141 VanDerWaalsContact O-CG 3.24Å; L137-L141 WeakPolarHBondContact O-CG 3.33Å; L137-L141 PolarHBondContact O-N 2.94Å; L137-I233 HydrophobicContact CD1-CD1 4.38Å; L137-A235 HydrophobicContact CD1-CB 3.4Å; L137-A235 HydrophobicContact CD2-CB 4.14Å; L137-A235 HydrophobicContact CG-CB 4.45Å; L137-R237 HydrophobicContact CD2-CG 3.73Å
138	A	97.6	Very high	97.6	Very high	14 Å²	14	42.1 Å²	42.1	12%	0.116	23%	0.228	C	C	.	.	H	α-helix	trans	-51.1	-49.2	173.7	0	0	0	0	0	112.5	C3 L6 P134 D135 Q136 L141 D142	C3-A138 HydrophobicContact CB-CB 3.48Å; C3-A138 VanDerWaalsContact CB-CB 3.48Å; C3-A138 VanDerWaalsContact SG-CA 3.51Å; C3-A138 VanDerWaalsContact SG-CB 3.52Å; C3-A138 PolarHBondContact SG-O 2.95Å; L6-A138 HydrophobicContact CD1-CB 3.93Å; P134-A138 WeakPolarHBondContact O-CB 3.46Å; P134-A138 PolarHBondContact O-N 2.74Å; D135-A138 WeakPolarHBondContact O-CB 3.5Å; D135-A138 PolarHBondContact O-N 2.81Å; Q136-A138 VanDerWaalsContact C-N 3.3Å; Q136-A138 PolarHBondContact O-N 2.76Å; A138-L141 PolarHBondContact O-N 2.9Å; A138-D142 PolarHBondContact O-N 3.18Å
139	Q	98.1	Very high	97.8	Very high	120 Å²	120	41.8 Å²	41.8	56%	0.561	23%	0.226	S	C	*	.	H	α-helix	trans	-63.8	-41.3	178.1	-176.9	57	73.4	0	0	112.7	D135 Q136 L137 L141 D142 D143	D135-Q139 PolarHBondContact O-N 3.23Å; D135-Q139 VanDerWaalsContact O-N 3.16Å; Q136-Q139 PolarHBondContact O-N 2.9Å; Q136-Q139 VanDerWaalsContact O-N 3.12Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 2.53Å; Q139-L141 VanDerWaalsContact C-N 3.33Å; Q139-D142 PolarHBondContact O-N 3.42Å; Q139-D143 PolarHBondContact O-N 3.12Å; Q139-D143 VanDerWaalsContact O-N 3.11Å
140	E	98.3	Very high	97.9	Very high	52 Å²	52	47.4 Å²	47.4	24%	0.243	25%	0.248	C	C	.	.	H	α-helix	trans	-65.2	-37.2	177.3	-64.9	-67.2	160.9	0	0	111.8	M132 Q136 L137 R144 I233	M132-E140 HydrophobicContact CE-CG 4.11Å; M132-E140 HydrophobicContact SD-CB 4.49Å; M132-E140 HydrophobicContact SD-CG 3.91Å; Q136-E140 HydrophobicContact CG-CG 4.38Å; Q136-E140 WeakPolarHBondContact O-CG 3.48Å; Q136-E140 PolarHBondContact O-N 3.05Å; L137-E140 PolarHBondContact O-N 2.92Å; E140-R144 WeakPolarHBondContact O-CD 3.47Å; E140-R144 WeakPolarHBondContact O-CG 3.16Å; E140-R144 PolarHBondContact O-NH1 3.47Å; E140-R144 IonicContact OE2-CZ 3.93Å; E140-R144 IonicContact OE2-NH1 3.25Å; E140-R144 PolarHBondContact OE2-NH1 2.92Å; E140-R144 IonicContact OE2-NH2 2.6Å; E140-R144 PolarHBondContact OE2-NH2 2.83Å; E140-I233 HydrophobicContact CB-CD1 3.93Å; E140-I233 HydrophobicContact CG-CD1 4.28Å
141	L	98.3	Very high	97.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69.5	-43.9	177.3	-65.3	177.8	0	0	0	111.5	S5 L6 L137 A138 Q139 D143 R144 F145 W244	S5-L141 PolarHBondContact OG-O 3.33Å; L6-L141 HydrophobicContact CD2-CD1 3.48Å; L6-L141 VanDerWaalsContact CD2-CD1 3.48Å; L6-L141 HydrophobicContact CG-CD1 4.14Å; L137-L141 HydrophobicContact CD1-CD1 4.12Å; L137-L141 HydrophobicContact CD1-CD2 4.09Å; L137-L141 HydrophobicContact CD1-CG 3.85Å; L137-L141 HydrophobicContact CD2-CD1 4.44Å; L137-L141 HydrophobicContact CG-CD1 3.92Å; L137-L141 HydrophobicContact CG-CG 4.11Å; L137-L141 VanDerWaalsContact O-CG 3.24Å; L137-L141 WeakPolarHBondContact O-CG 3.33Å; L137-L141 PolarHBondContact O-N 2.94Å; A138-L141 PolarHBondContact O-N 2.9Å; Q139-L141 VanDerWaalsContact C-N 3.33Å; L141-D143 VanDerWaalsContact C-N 3.29Å; L141-D143 PolarHBondContact O-N 3.3Å; L141-R144 PolarHBondContact O-N 3.47Å; L141-F145 HydrophobicContact CB-CD2 4.27Å; L141-F145 HydrophobicContact CD2-CD2 3.77Å; L141-F145 HydrophobicContact CD2-CE2 3.5Å; L141-F145 VanDerWaalsContact CD2-CE2 3.5Å; L141-F145 PolarHBondContact O-N 3.21Å; L141-W244 HydrophobicContact CD1-CD2 3.96Å; L141-W244 HydrophobicContact CD1-CE3 4.28Å; L141-W244 HydrophobicContact CD1-CG 4.2Å; L141-W244 HydrophobicContact CD2-CB 3.85Å; L141-W244 HydrophobicContact CD2-CD2 3.98Å; L141-W244 HydrophobicContact CD2-CE3 3.86Å; L141-W244 HydrophobicContact CD2-CG 4.01Å
142	D	97.7	Very high	97.9	Very high	44 Å²	44	44.2 Å²	44.2	24%	0.235	24%	0.242	C	C	.	.	H	α-helix	trans	-67.2	-26.2	178.1	-82.5	-5.4	0	0	0	113.5	C3 R4 S5 A138 Q139 R144 P146	C3-D142 VanDerWaalsContact CA-OD2 3.27Å; C3-D142 WeakPolarHBondContact CA-OD2 3.45Å; C3-D142 PolarHBondContact SG-OD1 3.37Å; C3-D142 PolarHBondContact SG-OD2 3.11Å; C3-D142 VanDerWaalsContact SG-OD2 3.39Å; R4-D142 PolarHBondContact N-OD1 3.11Å; R4-D142 PolarHBondContact N-OD2 2.98Å; S5-D142 VanDerWaalsContact CB-OD1 3.26Å; S5-D142 WeakPolarHBondContact CB-OD1 3.49Å; S5-D142 PolarHBondContact N-OD1 2.84Å; S5-D142 PolarHBondContact OG-N 3.02Å; S5-D142 PolarHBondContact OG-OD1 2.97Å; A138-D142 PolarHBondContact O-N 3.18Å; Q139-D142 PolarHBondContact O-N 3.42Å; D142-R144 PolarHBondContact O-N 2.92Å; D142-P146 VanDerWaalsContact O-CD 3.29Å; D142-P146 WeakPolarHBondContact O-CD 3.48Å; D142-P146 WeakPolarHBondContact O-CG 3.34Å
143	D	97.8	Very high	97.9	Very high	80 Å²	80	45 Å²	45	43%	0.428	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.2	171.7	177.9	58.4	0	0	0	113.4	Q139 L141 K231	Q139-D143 PolarHBondContact O-N 3.12Å; Q139-D143 VanDerWaalsContact O-N 3.11Å; L141-D143 VanDerWaalsContact C-N 3.29Å; L141-D143 PolarHBondContact O-N 3.3Å; D143-K231 PolarHBondContact O-NZ 3.03Å; D143-K231 IonicContact OD1-NZ 3.29Å; D143-K231 PolarHBondContact OD1-NZ 2.9Å; D143-K231 WeakPolarHBondContact OD2-CE 3.37Å; D143-K231 IonicContact OD2-NZ 3.26Å; D143-K231 PolarHBondContact OD2-NZ 3Å
144	R	98.3	Very high	98	Very high	29 Å²	29	43.5 Å²	43.5	11%	0.109	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-54	-168.8	-74.2	173.5	-177.8	75	-9.5	114.6	E140 L141 D142 C148 K231 F246	E140-R144 WeakPolarHBondContact O-CD 3.47Å; E140-R144 WeakPolarHBondContact O-CG 3.16Å; E140-R144 PolarHBondContact O-NH1 3.47Å; E140-R144 IonicContact OE2-CZ 3.93Å; E140-R144 IonicContact OE2-NH1 3.25Å; E140-R144 PolarHBondContact OE2-NH1 2.92Å; E140-R144 IonicContact OE2-NH2 2.6Å; E140-R144 PolarHBondContact OE2-NH2 2.83Å; L141-R144 PolarHBondContact O-N 3.47Å; D142-R144 PolarHBondContact O-N 2.92Å; R144-C148 WeakPolarHBondContact O-CB 3.5Å; R144-K231 HydrophobicContact CG-CB 4.4Å; R144-K231 HydrophobicContact CG-CD 4.09Å; R144-K231 PolarHBondContact NE-O 3.26Å; R144-F246 HydrophobicContact CB-CD1 3.97Å; R144-F246 HydrophobicContact CB-CD2 3.81Å; R144-F246 HydrophobicContact CB-CE1 3.97Å; R144-F246 HydrophobicContact CB-CE2 3.79Å; R144-F246 HydrophobicContact CB-CG 3.88Å; R144-F246 HydrophobicContact CB-CZ 3.86Å; R144-F246 HydrophobicContact CG-CD1 3.82Å; R144-F246 HydrophobicContact CG-CE1 3.86Å; R144-F246 HydrophobicContact CG-CG 4.17Å; R144-F246 HydrophobicContact CG-CZ 4.23Å; R144-F246 WeakPolarHBondContact O-CE2 3.42Å; R144-F246 WeakPolarHBondContact O-CZ 3.47Å
145	F	98.5	Very high	98	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-80.6	-35	-166.5	-78.2	-85.3	0	0	0	115.9	L51 M52 L141 G147 C148 I208 W244 F246	L51-F145 HydrophobicContact CD2-CB 4.03Å; L51-F145 HydrophobicContact CG-CB 4.34Å; M52-F145 HydrophobicContact CG-CD1 4.19Å; M52-F145 HydrophobicContact SD-CD1 3.76Å; M52-F145 HydrophobicContact SD-CE1 4.25Å; L141-F145 HydrophobicContact CB-CD2 4.27Å; L141-F145 HydrophobicContact CD2-CD2 3.77Å; L141-F145 HydrophobicContact CD2-CE2 3.5Å; L141-F145 VanDerWaalsContact CD2-CE2 3.5Å; L141-F145 PolarHBondContact O-N 3.21Å; F145-G147 PolarHBondContact O-N 3.37Å; F145-C148 WeakPolarHBondContact O-CB 3.26Å; F145-C148 PolarHBondContact O-N 3.39Å; F145-C148 PolarHBondContact O-SG 3.46Å; F145-I208 HydrophobicContact CD1-CG2 4.03Å; F145-I208 HydrophobicContact CE1-CG2 3.6Å; F145-I208 HydrophobicContact CZ-CG2 4.37Å; F145-W244 HydrophobicContact CB-CZ3 4.45Å; F145-W244 HydrophobicContact CD1-CE3 4.12Å; F145-W244 AromaticContact CD1-CZ3 3.96Å; F145-W244 HydrophobicContact CD1-CZ3 3.96Å; F145-W244 AromaticContact CD2-CE3 3.83Å; F145-W244 HydrophobicContact CD2-CE3 3.83Å; F145-W244 AromaticContact CD2-CZ3 3.99Å; F145-W244 HydrophobicContact CD2-CZ3 3.99Å; F145-W244 AromaticContact CE1-CE3 3.93Å; F145-W244 HydrophobicContact CE1-CE3 3.93Å; F145-W244 HydrophobicContact CE1-CZ3 4.2Å; F145-W244 AromaticContact CE2-CE3 3.62Å; F145-W244 HydrophobicContact CE2-CE3 3.62Å; F145-W244 HydrophobicContact CE2-CZ3 4.24Å; F145-W244 HydrophobicContact CG-CE3 4.08Å; F145-W244 AromaticContact CG-CZ3 3.84Å; F145-W244 HydrophobicContact CG-CZ3 3.84Å; F145-W244 AromaticContact CZ-CE3 3.66Å; F145-W244 HydrophobicContact CZ-CE3 3.66Å; F145-W244 HydrophobicContact CZ-CZ3 4.33Å; F145-F246 HydrophobicContact CD1-CD2 4.36Å; F145-F246 HydrophobicContact CD2-CD2 4.36Å; F145-F246 HydrophobicContact CE1-CD2 4.1Å; F145-F246 HydrophobicContact CE2-CB 3.99Å; F145-F246 HydrophobicContact CE2-CD2 4.08Å; F145-F246 HydrophobicContact CE2-CG 4.43Å; F145-F246 HydrophobicContact CG-CD2 4.49Å; F145-F246 HydrophobicContact CZ-CB 3.89Å; F145-F246 AromaticContact CZ-CD2 3.96Å; F145-F246 HydrophobicContact CZ-CD2 3.96Å; F145-F246 HydrophobicContact CZ-CG 4.43Å
146	P	98.2	Very high	98.1	Very high	54 Å²	54	35.1 Å²	35.1	35%	0.351	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	114.1	178.6	-30	37.2	0	0	0	112.9	L51 D142 C148	L51-P146 HydrophobicContact CD1-CB 4.49Å; L51-P146 HydrophobicContact CD1-CG 3.96Å; L51-P146 WeakPolarHBondContact O-CA 3.32Å; D142-P146 VanDerWaalsContact O-CD 3.29Å; D142-P146 WeakPolarHBondContact O-CD 3.48Å; D142-P146 WeakPolarHBondContact O-CG 3.34Å; P146-C148 VanDerWaalsContact C-N 3.27Å; P146-C148 PolarHBondContact O-N 3.09Å
147	G	97.4	Very high	98.1	Very high	30 Å²	30	30.6 Å²	30.6	31%	0.309	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	13.9	179.9	0	0	0	0	0	115.9	L51 M52 F145 M149 K150	L51-G147 PolarHBondContact O-N 3.06Å; M52-G147 CarbonylContact O-C 3.46Å; M52-G147 WeakPolarHBondContact O-CA 3.47Å; F145-G147 PolarHBondContact O-N 3.37Å; G147-M149 PolarHBondContact O-N 3.08Å; G147-K150 WeakPolarHBondContact O-CB 3.42Å; G147-K150 PolarHBondContact O-N 2.79Å; G147-K150 VanDerWaalsContact O-N 3.16Å
148	C	98.2	Very high	98.1	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.014	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.5	-173.6	71.6	0	0	0	0	114.6	M52 R144 F145 P146 S210 P214 F246	M52-C148 PolarHBondContact O-N 2.96Å; R144-C148 WeakPolarHBondContact O-CB 3.5Å; F145-C148 WeakPolarHBondContact O-CB 3.26Å; F145-C148 PolarHBondContact O-N 3.39Å; F145-C148 PolarHBondContact O-SG 3.46Å; P146-C148 VanDerWaalsContact C-N 3.27Å; P146-C148 PolarHBondContact O-N 3.09Å; C148-S210 VanDerWaalsContact SG-CB 3.55Å; C148-S210 PolarHBondContact SG-OG 3.37Å; C148-S210 VanDerWaalsContact SG-OG 3.38Å; C148-P214 WeakPolarHBondContact O-CB 3.36Å; C148-P214 WeakPolarHBondContact O-CD 3.46Å; C148-F246 HydrophobicContact CB-CE2 3.64Å; C148-F246 HydrophobicContact CB-CZ 4.31Å
149	M	98.4	Very high	98.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	8.8	178.3	-65.1	-169.5	173.8	0	0	113.3	M52 P54 G147 G151 R152 M154 D177 H209	M52-M149 HydrophobicContact CB-CB 4.16Å; M52-M149 HydrophobicContact CB-CG 3.93Å; M52-M149 HydrophobicContact CB-SD 4.16Å; M52-M149 HydrophobicContact CE-CE 3.86Å; M52-M149 HydrophobicContact CE-SD 4.16Å; M52-M149 PolarHBondContact O-N 3.32Å; M52-M149 HydrophobicContact SD-CE 3.61Å; M52-M149 HydrophobicContact SD-CG 4.25Å; M52-M149 HydrophobicContact SD-SD 4.01Å; P54-M149 WeakPolarHBondContact CA-O 3.48Å; P54-M149 HydrophobicContact CB-CB 3.95Å; P54-M149 HydrophobicContact CB-SD 4.47Å; G147-M149 PolarHBondContact O-N 3.08Å; M149-G151 PolarHBondContact O-N 3.03Å; M149-G151 VanDerWaalsContact O-N 3.15Å; M149-R152 WeakPolarHBondContact O-CA 3.33Å; M149-R152 VanDerWaalsContact O-CB 3.31Å; M149-R152 WeakPolarHBondContact O-CB 3.46Å; M149-R152 PolarHBondContact O-N 2.93Å; M149-M154 HydrophobicContact CE-CE 4.36Å; M149-M154 HydrophobicContact SD-CB 3.81Å; M149-M154 HydrophobicContact SD-CE 3.45Å; M149-M154 WeakPolarHBondContact SD-CE 3.31Å; M149-M154 HydrophobicContact SD-CG 4Å; M149-D177 HydrophobicContact CE-CB 3.79Å; M149-D177 HydrophobicContact CG-CB 3.83Å; M149-D177 HydrophobicContact SD-CB 3.94Å; M149-H209 WeakPolarHBondContact CE-O 3.19Å
150	K	97.8	Very high	98.2	Very high	133 Å²	133	24.3 Å²	24.3	58%	0.578	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.9	124.6	-179.6	-173.7	175.7	-177.4	173.5	0	111.7	G53 G147 R152 P214 R215	G53-K150 VanDerWaalsContact O-CA 3.27Å; G53-K150 WeakPolarHBondContact O-CA 3.38Å; G53-K150 PolarHBondContact O-N 3.01Å; G147-K150 WeakPolarHBondContact O-CB 3.42Å; G147-K150 PolarHBondContact O-N 2.79Å; G147-K150 VanDerWaalsContact O-N 3.16Å; K150-R152 VanDerWaalsContact C-N 3.31Å; K150-R152 PolarHBondContact O-N 3.09Å; K150-P214 HydrophobicContact CB-CB 3.96Å; K150-R215 PolarHBondContact O-N 3.24Å
151	G	97.1	Very high	98.2	Very high	33 Å²	33	21.8 Å²	21.8	34%	0.34	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	14.4	-179	0	0	0	0	0	115.1	M149 R215	M149-G151 PolarHBondContact O-N 3.03Å; M149-G151 VanDerWaalsContact O-N 3.15Å; G151-R215 WeakPolarHBondContact O-CD 3.45Å; G151-R215 PolarHBondContact O-NE 3.01Å; G151-R215 VanDerWaalsContact O-NE 3.13Å
152	R	97.7	Very high	98.1	Very high	22 Å²	22	21.8 Å²	21.8	8%	0.083	13%	0.125	C	C	.	.	S	Bend	trans	-122.8	158.4	177.5	-57.3	-173.8	172.7	-80.2	-7.8	111.3	P54 A55 M149 K150 D177 C213 L226	P54-R152 CarbonylContact C-O 3.56Å; P54-R152 WeakPolarHBondContact CA-O 3.32Å; P54-R152 WeakPolarHBondContact CB-O 3.15Å; A55-R152 PolarHBondContact N-O 2.91Å; M149-R152 WeakPolarHBondContact O-CA 3.33Å; M149-R152 VanDerWaalsContact O-CB 3.31Å; M149-R152 WeakPolarHBondContact O-CB 3.46Å; M149-R152 PolarHBondContact O-N 2.93Å; K150-R152 VanDerWaalsContact C-N 3.31Å; K150-R152 PolarHBondContact O-N 3.09Å; R152-D177 HydrophobicContact CB-CB 4.17Å; R152-C213 PolarHBondContact NE-O 3.2Å; R152-C213 PolarHBondContact NH2-O 3.31Å; R152-L226 VanDerWaalsContact NH1-CD1 3.32Å
153	T	97.9	Very high	98.1	Very high	22 Å²	22	20 Å²	20	14%	0.135	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132.1	168.6	-53.1	0	0	0	0	109.4	I30 N56 Y155 D177	I30-T153 HydrophobicContact CD1-CG2 4.18Å; N56-T153 WeakPolarHBondContact O-CA 3.37Å; N56-T153 VanDerWaalsContact OD1-CA 3.31Å; N56-T153 WeakPolarHBondContact OD1-CA 3.27Å; N56-T153 VanDerWaalsContact OD1-CB 3.26Å; N56-T153 WeakPolarHBondContact OD1-CB 3.24Å; N56-T153 WeakPolarHBondContact OD1-CG2 3.29Å; N56-T153 PolarHBondContact OD1-OG1 2.81Å; T153-Y155 HydrophobicContact CG2-CD1 4.14Å; T153-Y155 HydrophobicContact CG2-CD2 4.05Å; T153-Y155 HydrophobicContact CG2-CE1 3.89Å; T153-Y155 HydrophobicContact CG2-CE2 3.79Å; T153-Y155 HydrophobicContact CG2-CG 4.22Å; T153-D177 WeakPolarHBondContact O-CA 3.36Å
154	M	98.6	Very high	97.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	112	161.8	175.9	-177.4	-68.4	0	0	108.5	A49 M52 P54 N56 I57 Y58 M149 L175	A49-M154 HydrophobicContact CB-CE 4.31Å; A49-M154 HydrophobicContact CB-SD 4.24Å; M52-M154 HydrophobicContact CB-CE 4.07Å; M52-M154 HydrophobicContact CE-CE 3.28Å; M52-M154 HydrophobicContact CE-SD 4.45Å; M52-M154 HydrophobicContact SD-CE 4.4Å; P54-M154 HydrophobicContact CB-CB 3.67Å; P54-M154 HydrophobicContact CB-CE 4.48Å; P54-M154 HydrophobicContact CG-CB 3.78Å; P54-M154 HydrophobicContact CG-CE 3.82Å; P54-M154 HydrophobicContact CG-SD 4.42Å; N56-M154 PolarHBondContact O-N 2.86Å; I57-M154 CarbonylContact C-O 3.58Å; I57-M154 WeakPolarHBondContact CA-O 3.11Å; I57-M154 HydrophobicContact CG1-CB 4.33Å; Y58-M154 PolarHBondContact N-O 3.13Å; M149-M154 HydrophobicContact CE-CE 4.36Å; M149-M154 HydrophobicContact SD-CB 3.81Å; M149-M154 HydrophobicContact SD-CE 3.45Å; M149-M154 WeakPolarHBondContact SD-CE 3.31Å; M149-M154 HydrophobicContact SD-CG 4Å; M154-L175 HydrophobicContact CG-CB 4.4Å; M154-L175 HydrophobicContact SD-CB 4.41Å; M154-L175 HydrophobicContact SD-CD1 4.25Å; M154-L175 HydrophobicContact SD-CD2 4.44Å
155	Y	98.6	Very high	97.4	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133.7	170.9	-59.6	-90.2	0	0	0	109.6	Y58 V60 I70 T153 L175 T176 P179 V182	Y58-Y155 AromaticContact CD1-CD1 3.84Å; Y58-Y155 HydrophobicContact CD1-CD1 3.84Å; Y58-Y155 HydrophobicContact CD1-CE1 4.2Å; Y58-Y155 HydrophobicContact CD2-CD1 4.47Å; Y58-Y155 HydrophobicContact CD2-CE1 4.12Å; Y58-Y155 AromaticContact CG-CD1 3.74Å; Y58-Y155 HydrophobicContact CG-CD1 3.74Å; Y58-Y155 AromaticContact CG-CE1 3.85Å; Y58-Y155 HydrophobicContact CG-CE1 3.85Å; Y58-Y155 CarbonylContact O-C 3.2Å; Y58-Y155 VanDerWaalsContact O-CA 3.3Å; Y58-Y155 WeakPolarHBondContact O-CA 3.21Å; V60-Y155 HydrophobicContact CG2-CD1 4.48Å; I70-Y155 HydrophobicContact CD1-CE1 4.28Å; T153-Y155 HydrophobicContact CG2-CD1 4.14Å; T153-Y155 HydrophobicContact CG2-CD2 4.05Å; T153-Y155 HydrophobicContact CG2-CE1 3.89Å; T153-Y155 HydrophobicContact CG2-CE2 3.79Å; T153-Y155 HydrophobicContact CG2-CG 4.22Å; Y155-L175 WeakPolarHBondContact O-CA 3.29Å; Y155-T176 PolarHBondContact N-O 3.07Å; Y155-T176 PolarHBondContact O-N 3.21Å; Y155-P179 HydrophobicContact CE2-CB 4.3Å; Y155-V182 HydrophobicContact CD1-CG2 3.77Å; Y155-V182 HydrophobicContact CD2-CG2 3.92Å; Y155-V182 HydrophobicContact CE1-CG2 4.45Å; Y155-V182 HydrophobicContact CG-CG2 3.46Å; Y155-V182 VanDerWaalsContact CG-CG2 3.46Å
156	V	98.6	Very high	97.1	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	105.6	174.4	-175.1	0	0	0	0	107.6	V45 I57 Y58 I59 V60 P158 I173 L175	V45-V156 HydrophobicContact CG1-CG2 4.07Å; V45-V156 HydrophobicContact CG2-CG1 3.78Å; V45-V156 HydrophobicContact CG2-CG2 3.97Å; I57-V156 HydrophobicContact CG2-CG2 3.88Å; Y58-V156 PolarHBondContact O-N 2.81Å; I59-V156 HydrophobicContact CG1-CB 4.4Å; I59-V156 HydrophobicContact CG1-CG2 4.44Å; V60-V156 VanDerWaalsContact CB-O 3.31Å; V60-V156 WeakPolarHBondContact CB-O 3.5Å; V60-V156 PolarHBondContact N-O 2.74Å; V156-P158 WeakPolarHBondContact O-CD 3.46Å; V156-I173 HydrophobicContact CG1-CG2 3.72Å; V156-L175 HydrophobicContact CB-CD2 4.22Å; V156-L175 HydrophobicContact CG1-CD2 3.96Å; V156-L175 HydrophobicContact CG2-CD2 3.88Å
157	I	98.6	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	101	-177.4	-50.2	167.1	0	0	0	109	V60 F159 I173 E174 T176 V181 V182 M185 A191	V60-I157 HydrophobicContact CG2-CG1 3.99Å; I157-F159 WeakPolarHBondContact O-CD1 3.44Å; I157-I173 WeakPolarHBondContact O-CA 3.49Å; I157-E174 HydrophobicContact CB-CB 4.25Å; I157-E174 HydrophobicContact CD1-CB 4.48Å; I157-E174 PolarHBondContact N-O 3.05Å; I157-E174 PolarHBondContact O-N 3.09Å; I157-T176 HydrophobicContact CD1-CG2 3.6Å; I157-T176 HydrophobicContact CG1-CG2 4.33Å; I157-V181 HydrophobicContact CD1-CG1 4.39Å; I157-V182 HydrophobicContact CD1-CB 4.35Å; I157-V182 HydrophobicContact CD1-CG2 3.94Å; I157-V182 HydrophobicContact CG1-CG2 4.23Å; I157-M185 HydrophobicContact CD1-CB 4.19Å; I157-M185 HydrophobicContact CD1-CG 4.24Å; I157-M185 HydrophobicContact CG2-CB 4.3Å; I157-A191 HydrophobicContact CG2-CB 4.09Å
158	P	98.4	Very high	96.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	124.4	165.2	30.2	-32.4	0	0	0	109.9	V156 I173 A191 G192 V195 L196	V156-P158 WeakPolarHBondContact O-CD 3.46Å; P158-I173 HydrophobicContact CB-CD1 3.71Å; P158-A191 CarbonylContact O-C 3.09Å; P158-A191 VanDerWaalsContact O-CA 3.24Å; P158-A191 WeakPolarHBondContact O-CA 3.33Å; P158-G192 PolarHBondContact O-N 3.49Å; P158-V195 HydrophobicContact CB-CB 4.33Å; P158-V195 HydrophobicContact CB-CG1 4.35Å; P158-L196 HydrophobicContact CB-CD1 4.35Å; P158-L196 HydrophobicContact CB-CD2 3.69Å; P158-L196 HydrophobicContact CB-CG 3.63Å; P158-L196 HydrophobicContact CG-CD1 3.96Å; P158-L196 HydrophobicContact CG-CD2 4.2Å; P158-L196 HydrophobicContact CG-CG 3.77Å
159	F	98.6	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.5	-179.4	69.6	-84.8	0	0	0	113.9	I157 M161 I171 G172 E174 M185 T189 R190 A191 F261	I157-F159 WeakPolarHBondContact O-CD1 3.44Å; F159-M161 HydrophobicContact CD2-CG 4.08Å; F159-M161 HydrophobicContact CD2-SD 3.79Å; F159-M161 HydrophobicContact CE2-CG 3.77Å; F159-M161 HydrophobicContact CE2-SD 3.75Å; F159-I171 WeakPolarHBondContact O-CA 3.44Å; F159-G172 VanDerWaalsContact CD1-O 3.26Å; F159-G172 WeakPolarHBondContact CD1-O 3.22Å; F159-G172 VanDerWaalsContact CE1-C 3.41Å; F159-G172 PolarHBondContact N-O 2.99Å; F159-G172 PolarHBondContact O-N 2.77Å; F159-E174 HydrophobicContact CD1-CB 4.23Å; F159-E174 HydrophobicContact CE1-CB 3.79Å; F159-M185 HydrophobicContact CB-CE 4.27Å; F159-M185 HydrophobicContact CD1-CE 3.63Å; F159-M185 HydrophobicContact CD2-CE 3.87Å; F159-M185 HydrophobicContact CE1-CE 3.87Å; F159-M185 HydrophobicContact CE2-CE 4.07Å; F159-M185 HydrophobicContact CG-CE 3.64Å; F159-M185 HydrophobicContact CZ-CE 4.08Å; F159-T189 HydrophobicContact CB-CG2 4.45Å; F159-T189 WeakPolarHBondContact CB-OG1 3.26Å; F159-T189 HydrophobicContact CD2-CG2 3.95Å; F159-T189 HydrophobicContact CG-CG2 4.42Å; F159-R190 CarbonylContact C-O 3.45Å; F159-R190 VanDerWaalsContact CA-O 3.27Å; F159-R190 WeakPolarHBondContact CA-O 3.32Å; F159-A191 HydrophobicContact CB-CB 4.39Å; F159-F261 AromaticContact CE2-CD1 3.7Å; F159-F261 HydrophobicContact CE2-CD1 3.7Å; F159-F261 HydrophobicContact CE2-CE1 4.03Å; F159-F261 AromaticContact CZ-CD1 3.87Å; F159-F261 HydrophobicContact CZ-CD1 3.87Å; F159-F261 HydrophobicContact CZ-CE1 4.33Å
160	S	98.6	Very high	96.4	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.014	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.5	171.9	-179	0	0	0	0	110	G162 R190	S160-G162 PolarHBondContact OG-O 2.95Å; S160-R190 PolarHBondContact N-O 2.66Å; S160-R190 PolarHBondContact O-N 2.97Å
161	M	98.5	Very high	96.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	111.2	162.9	-62.9	-49.4	-62.2	0	0	107.9	F159 S169 K170 T189 G257 F261 A262 W329 P343 E344	F159-M161 HydrophobicContact CD2-CG 4.08Å; F159-M161 HydrophobicContact CD2-SD 3.79Å; F159-M161 HydrophobicContact CE2-CG 3.77Å; F159-M161 HydrophobicContact CE2-SD 3.75Å; M161-S169 WeakPolarHBondContact O-CA 3.46Å; M161-S169 WeakPolarHBondContact O-CB 3.45Å; M161-S169 PolarHBondContact O-OG 2.93Å; M161-K170 PolarHBondContact N-O 3.48Å; M161-K170 PolarHBondContact O-N 3.38Å; M161-T189 HydrophobicContact CE-CG2 4.49Å; M161-T189 HydrophobicContact SD-CG2 3.6Å; M161-G257 VanDerWaalsContact CE-O 3.32Å; M161-G257 WeakPolarHBondContact CE-O 3.4Å; M161-F261 HydrophobicContact CB-CE1 4.46Å; M161-F261 HydrophobicContact CG-CD1 3.74Å; M161-F261 HydrophobicContact CG-CE1 3.77Å; M161-F261 HydrophobicContact CG-CG 4.43Å; M161-F261 HydrophobicContact CG-CZ 4.47Å; M161-A262 HydrophobicContact CE-CB 3.78Å; M161-W329 HydrophobicContact CB-CH2 3.44Å; M161-W329 VanDerWaalsContact CB-CH2 3.44Å; M161-W329 HydrophobicContact CB-CZ2 4.08Å; M161-W329 HydrophobicContact CB-CZ3 4.04Å; M161-W329 HydrophobicContact CG-CH2 4.38Å; M161-W329 WeakPolarHBondContact O-CZ3 3.4Å; M161-P343 CarbonylContact C-O 3.52Å; M161-P343 WeakPolarHBondContact CA-O 3.28Å; M161-P343 HydrophobicContact CB-CB 4.1Å; M161-P343 HydrophobicContact CE-CB 4.08Å; M161-E344 HydrophobicContact CE-CG 4.24Å
162	G	97.8	Very high	96.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	97	168	-171.4	0	0	0	0	0	113.4	S160 I164 S169 P343	S160-G162 PolarHBondContact OG-O 2.95Å; G162-I164 PolarHBondContact O-N 2.78Å; G162-S169 VanDerWaalsContact CA-OG 3.27Å; G162-S169 WeakPolarHBondContact CA-OG 3.23Å; G162-S169 PolarHBondContact O-OG 3.24Å; G162-P343 PolarHBondContact N-O 2.73Å
163	P	96.5	Very high	96.6	Very high	7 Å²	7	23.4 Å²	23.4	5%	0.045	13%	0.132	C	C	.	.	S	Bend	trans	-56.1	133.2	177.7	-24.9	36.1	0	0	0	111.3	G165 S166 S169 E437	P163-G165 PolarHBondContact O-N 2.86Å; P163-S166 WeakPolarHBondContact O-CB 3.4Å; P163-S166 PolarHBondContact O-N 2.9Å; P163-S169 WeakPolarHBondContact O-CB 3.4Å; P163-S169 PolarHBondContact O-OG 3Å; P163-E437 HydrophobicContact CB-CB 4.35Å; P163-E437 VanDerWaalsContact CB-O 3.31Å; P163-E437 WeakPolarHBondContact CB-O 3.48Å; P163-E437 HydrophobicContact CG-CB 4.13Å; P163-E437 WeakPolarHBondContact CG-O 3.28Å
164	I	94.8	Very high	96.6	Very high	75 Å²	75	22.4 Å²	22.4	39%	0.385	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	125.1	-180	-61.1	177.7	0	0	0	108.7	G162 R190 E194 V195 A198	G162-I164 PolarHBondContact O-N 2.78Å; I164-R190 HydrophobicContact CD1-CB 4.16Å; I164-R190 HydrophobicContact CG1-CB 4.22Å; I164-E194 HydrophobicContact CD1-CB 4.09Å; I164-V195 HydrophobicContact CD1-CG2 3.98Å; I164-A198 HydrophobicContact CG2-CB 3.6Å
165	G	87.6	Confident	96.6	Very high	69 Å²	69	22.4 Å²	22.4	71%	0.711	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.3	-5.4	-177.9	0	0	0	0	0	116	P163	P163-G165 PolarHBondContact O-N 2.86Å
166	S	92.1	Very high	96.7	Very high	9 Å²	9	22.2 Å²	22.2	6%	0.063	13%	0.125	C	C	.	.			trans	-65.6	141.2	169.7	179.2	0	0	0	0	111	P163 L168 S169 P439	P163-S166 WeakPolarHBondContact O-CB 3.4Å; P163-S166 PolarHBondContact O-N 2.9Å; S166-L168 PolarHBondContact O-N 2.86Å; S166-L168 PolarHBondContact OG-N 3.1Å; S166-S169 WeakPolarHBondContact CB-OG 3.49Å; S166-S169 WeakPolarHBondContact O-CB 3.36Å; S166-S169 PolarHBondContact O-N 3.42Å; S166-P439 WeakPolarHBondContact CB-O 3.12Å; S166-P439 PolarHBondContact OG-O 3.13Å
167	K	90.3	Very high	96.7	Very high	198 Å²	198	22.3 Å²	22.3	86%	0.861	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.4	172.3	-66.3	-175.1	179.3	-179	0	113.3
168	L	93.5	Very high	96.6	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.058	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-18.9	175.2	-67.6	177.5	0	0	0	112.2	S166 W329 R331 I341	S166-L168 PolarHBondContact O-N 2.86Å; S166-L168 PolarHBondContact OG-N 3.1Å; L168-W329 WeakPolarHBondContact O-CZ3 3.28Å; L168-R331 HydrophobicContact CD1-CB 4.43Å; L168-R331 HydrophobicContact CD2-CB 3.73Å; L168-R331 HydrophobicContact CD2-CG 4.37Å; L168-I341 HydrophobicContact CB-CD1 3.58Å; L168-I341 HydrophobicContact CB-CG1 4.03Å; L168-I341 HydrophobicContact CD1-CD1 4.49Å; L168-I341 HydrophobicContact CD1-CG1 4.05Å; L168-I341 HydrophobicContact CD1-CG2 4.14Å
169	S	96.5	Very high	96.6	Very high	20 Å²	20	23.1 Å²	23.1	14%	0.14	13%	0.131	C	C	.	.			trans	-66.3	148.7	-178.1	-69.7	0	0	0	0	111.9	M161 G162 P163 S166	M161-S169 WeakPolarHBondContact O-CA 3.46Å; M161-S169 WeakPolarHBondContact O-CB 3.45Å; M161-S169 PolarHBondContact O-OG 2.93Å; G162-S169 VanDerWaalsContact CA-OG 3.27Å; G162-S169 WeakPolarHBondContact CA-OG 3.23Å; G162-S169 PolarHBondContact O-OG 3.24Å; P163-S169 WeakPolarHBondContact O-CB 3.4Å; P163-S169 PolarHBondContact O-OG 3Å; S166-S169 WeakPolarHBondContact CB-OG 3.49Å; S166-S169 WeakPolarHBondContact O-CB 3.36Å; S166-S169 PolarHBondContact O-N 3.42Å
170	K	97.7	Very high	96.6	Very high	45 Å²	45	23.1 Å²	23.1	20%	0.196	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.2	175.3	-54.3	-74.4	178.2	170.6	0	108.6	M161 F261 E273 W329	M161-K170 PolarHBondContact N-O 3.48Å; M161-K170 PolarHBondContact O-N 3.38Å; K170-F261 HydrophobicContact CB-CE1 4.44Å; K170-F261 HydrophobicContact CB-CE2 4.01Å; K170-F261 HydrophobicContact CB-CZ 3.44Å; K170-F261 VanDerWaalsContact CB-CZ 3.44Å; K170-F261 HydrophobicContact CG-CZ 4.48Å; K170-E273 IonicContact NZ-OE1 3.31Å; K170-E273 PolarHBondContact NZ-OE1 2.93Å; K170-E273 IonicContact NZ-OE2 3.31Å; K170-E273 PolarHBondContact NZ-OE2 3.46Å; K170-W329 HydrophobicContact CB-CH2 3.83Å; K170-W329 HydrophobicContact CB-CZ3 4.04Å; K170-W329 HydrophobicContact CG-CH2 3.83Å; K170-W329 HydrophobicContact CG-CZ3 3.77Å
171	I	98.2	Very high	96.6	Very high	27 Å²	27	23 Å²	23	14%	0.138	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	141.9	-177.4	-67.6	174.2	0	0	0	109.7	F159 V195 A198 L199 F204 V205	F159-I171 WeakPolarHBondContact O-CA 3.44Å; I171-V195 HydrophobicContact CB-CG1 4.41Å; I171-V195 HydrophobicContact CD1-CG1 4Å; I171-V195 HydrophobicContact CG1-CG1 4Å; I171-V195 HydrophobicContact CG2-CG1 3.62Å; I171-A198 HydrophobicContact CD1-CB 4.15Å; I171-L199 HydrophobicContact CB-CD1 4.06Å; I171-L199 HydrophobicContact CD1-CB 3.79Å; I171-L199 HydrophobicContact CD1-CD1 4.25Å; I171-L199 HydrophobicContact CG2-CB 4.21Å; I171-L199 HydrophobicContact CG2-CD1 3.87Å; I171-L199 HydrophobicContact CG2-CD2 4.07Å; I171-L199 HydrophobicContact CG2-CG 4.27Å; I171-F204 HydrophobicContact CG2-CB 4.34Å; I171-F204 WeakPolarHBondContact O-CA 3.32Å; I171-F204 WeakPolarHBondContact O-CB 3.26Å; I171-V205 PolarHBondContact O-N 2.67Å
172	G	98.5	Very high	96.6	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	157.9	170	0	0	0	0	0	111.7	F159 V205	F159-G172 VanDerWaalsContact CD1-O 3.26Å; F159-G172 WeakPolarHBondContact CD1-O 3.22Å; F159-G172 VanDerWaalsContact CE1-C 3.41Å; F159-G172 PolarHBondContact N-O 2.99Å; F159-G172 PolarHBondContact O-N 2.77Å; G172-V205 CarbonylContact C-O 3.59Å; G172-V205 WeakPolarHBondContact CA-O 3.37Å
173	I	98.7	Very high	96.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	117	168.7	-54.6	-62.6	0	0	0	107	V41 F44 V156 I157 P158 L175 L196 L199 F204 V205 C207	V41-I173 HydrophobicContact CG1-CD1 4.27Å; V41-I173 HydrophobicContact CG1-CG1 4.15Å; V41-I173 HydrophobicContact CG1-CG2 4.32Å; V41-I173 HydrophobicContact CG2-CD1 4.21Å; V41-I173 HydrophobicContact CG2-CG1 4.06Å; F44-I173 HydrophobicContact CD1-CB 4.3Å; F44-I173 HydrophobicContact CD1-CG2 4.15Å; F44-I173 HydrophobicContact CE1-CB 4.12Å; F44-I173 HydrophobicContact CE1-CG2 4.02Å; V156-I173 HydrophobicContact CG1-CG2 3.72Å; I157-I173 WeakPolarHBondContact O-CA 3.49Å; P158-I173 HydrophobicContact CB-CD1 3.71Å; I173-L175 HydrophobicContact CG2-CD2 4.23Å; I173-L196 HydrophobicContact CD1-CD2 4.21Å; I173-L199 HydrophobicContact CD1-CD2 4.21Å; I173-F204 HydrophobicContact CB-CD2 3.86Å; I173-F204 HydrophobicContact CB-CE2 3.81Å; I173-F204 HydrophobicContact CG1-CD2 3.43Å; I173-F204 VanDerWaalsContact CG1-CD2 3.43Å; I173-F204 HydrophobicContact CG1-CE2 3.56Å; I173-F204 HydrophobicContact CG1-CG 3.95Å; I173-F204 HydrophobicContact CG1-CZ 4.18Å; I173-V205 PolarHBondContact N-O 2.89Å; I173-C207 WeakPolarHBondContact O-CB 3.29Å; I173-C207 PolarHBondContact O-N 3.48Å
174	E	98.8	Very high	96.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.8	176.3	-174.2	173.5	153.3	0	0	111.6	I157 F159 V181 M185 C207 L256	I157-E174 HydrophobicContact CB-CB 4.25Å; I157-E174 HydrophobicContact CD1-CB 4.48Å; I157-E174 PolarHBondContact N-O 3.05Å; I157-E174 PolarHBondContact O-N 3.09Å; F159-E174 HydrophobicContact CD1-CB 4.23Å; F159-E174 HydrophobicContact CE1-CB 3.79Å; E174-V181 WeakPolarHBondContact OE1-CG1 3.5Å; E174-M185 WeakPolarHBondContact OE2-CE 3.44Å; E174-C207 CarbonylContact C-O 3.53Å; E174-C207 WeakPolarHBondContact CA-O 3.11Å; E174-C207 HydrophobicContact CB-CB 3.79Å; E174-C207 HydrophobicContact CG-CB 3.93Å; E174-L256 HydrophobicContact CG-CD1 4.28Å; E174-L256 HydrophobicContact CG-CG 4.44Å; E174-L256 WeakPolarHBondContact OE2-CB 3.46Å; E174-L256 PolarHBondContact OE2-N 3.06Å
175	L	98.8	Very high	96.8	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.4	170.9	-50.3	-177.7	0	0	0	108.3	F44 V45 K48 M52 M154 Y155 V156 I173 C207 H209	F44-L175 HydrophobicContact CD1-CD1 4.23Å; F44-L175 HydrophobicContact CD1-CG 4.45Å; F44-L175 HydrophobicContact CE1-CD1 3.65Å; F44-L175 HydrophobicContact CE1-CD2 4.04Å; F44-L175 HydrophobicContact CE1-CG 3.61Å; F44-L175 HydrophobicContact CE2-CD1 4.13Å; F44-L175 HydrophobicContact CZ-CD1 3.59Å; F44-L175 HydrophobicContact CZ-CG 3.82Å; V45-L175 HydrophobicContact CG2-CD2 3.99Å; K48-L175 HydrophobicContact CB-CD1 3.41Å; K48-L175 VanDerWaalsContact CB-CD1 3.41Å; K48-L175 HydrophobicContact CG-CD1 3.85Å; M52-L175 HydrophobicContact CE-CB 4.26Å; M52-L175 HydrophobicContact CE-CD1 4.24Å; M154-L175 HydrophobicContact CG-CB 4.4Å; M154-L175 HydrophobicContact SD-CB 4.41Å; M154-L175 HydrophobicContact SD-CD1 4.25Å; M154-L175 HydrophobicContact SD-CD2 4.44Å; Y155-L175 WeakPolarHBondContact O-CA 3.29Å; V156-L175 HydrophobicContact CB-CD2 4.22Å; V156-L175 HydrophobicContact CG1-CD2 3.96Å; V156-L175 HydrophobicContact CG2-CD2 3.88Å; I173-L175 HydrophobicContact CG2-CD2 4.23Å; L175-C207 PolarHBondContact N-O 3.35Å; L175-H209 WeakPolarHBondContact O-CA 3.44Å; L175-H209 WeakPolarHBondContact O-CB 3.32Å; L175-H209 PolarHBondContact O-N 3.32Å; L175-H209 VanDerWaalsContact O-O 3.07Å
176	T	98.9	Very high	97.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.7	-177.2	-177.2	0	0	0	0	111.8	Y155 I157 S178 V181 V182 H209	Y155-T176 PolarHBondContact N-O 3.07Å; Y155-T176 PolarHBondContact O-N 3.21Å; I157-T176 HydrophobicContact CD1-CG2 3.6Å; I157-T176 HydrophobicContact CG1-CG2 4.33Å; T176-S178 PolarHBondContact OG1-N 3.42Å; T176-V181 HydrophobicContact CG2-CB 4.24Å; T176-V181 HydrophobicContact CG2-CG1 4Å; T176-V182 HydrophobicContact CG2-CG2 4.03Å; T176-H209 WeakPolarHBondContact CA-O 3.47Å; T176-H209 PolarHBondContact OG1-ND1 3.4Å
177	D	98.6	Very high	97.5	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.027	9%	0.093	C	C	.	.	S	Bend	trans	-102.5	14.8	172	58.7	5.5	0	0	0	113.3	M149 R152 T153 S210 I211	M149-D177 HydrophobicContact CE-CB 3.79Å; M149-D177 HydrophobicContact CG-CB 3.83Å; M149-D177 HydrophobicContact SD-CB 3.94Å; R152-D177 HydrophobicContact CB-CB 4.17Å; T153-D177 WeakPolarHBondContact O-CA 3.36Å; D177-S210 WeakPolarHBondContact OD1-CA 3.38Å; D177-S210 PolarHBondContact OD2-OG 3.05Å; D177-I211 WeakPolarHBondContact OD1-CG1 3.42Å; D177-I211 PolarHBondContact OD1-N 2.97Å
178	S	98.1	Very high	97.9	Very high	6 Å²	6	10.8 Å²	10.8	4%	0.042	5%	0.053	C	C	.	.			trans	-116.5	114	-177.4	-179.5	0	0	0	0	112	T176 Y180 V181 V182	T176-S178 PolarHBondContact OG1-N 3.42Å; S178-Y180 PolarHBondContact O-N 2.59Å; S178-Y180 PolarHBondContact OG-N 2.81Å; S178-V181 WeakPolarHBondContact O-CB 3.36Å; S178-V181 PolarHBondContact O-N 3.07Å; S178-V181 VanDerWaalsContact O-N 3.14Å; S178-V181 PolarHBondContact OG-N 3.3Å; S178-V182 PolarHBondContact O-N 3.37Å
179	P	97.8	Very high	98.2	Very high	12 Å²	12	10.4 Å²	10.4	8%	0.078	5%	0.051	C	C	.	.	H	α-helix	trans	-64.5	-27.3	173.6	25.6	-33.7	0	0	0	112.7	I70 M74 M79 Y155 V181 V182 M183	I70-P179 HydrophobicContact CG2-CB 3.71Å; M74-P179 HydrophobicContact CG-CB 3.81Å; M74-P179 HydrophobicContact CG-CG 3.84Å; M74-P179 HydrophobicContact SD-CB 3.86Å; M74-P179 HydrophobicContact SD-CG 4.26Å; M79-P179 HydrophobicContact CE-CG 4.28Å; M79-P179 HydrophobicContact SD-CG 4.29Å; Y155-P179 HydrophobicContact CE2-CB 4.3Å; P179-V181 VanDerWaalsContact C-N 3.3Å; P179-V181 PolarHBondContact O-N 3Å; P179-V182 WeakPolarHBondContact O-CB 3.27Å; P179-V182 PolarHBondContact O-N 2.73Å; P179-M183 WeakPolarHBondContact O-CG 3.49Å; P179-M183 PolarHBondContact O-N 3.31Å
180	Y	98	Very high	98.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-59.3	-43.2	172.4	173.4	-90.3	0	0	0	111.3	M74 S178 V182 M183 C184 W225 I371 T373	M74-Y180 HydrophobicContact CE-CD2 4.26Å; M74-Y180 HydrophobicContact CE-CG 4.41Å; S178-Y180 PolarHBondContact O-N 2.59Å; S178-Y180 PolarHBondContact OG-N 2.81Å; Y180-V182 VanDerWaalsContact C-N 3.34Å; Y180-V182 PolarHBondContact O-N 3.1Å; Y180-M183 PolarHBondContact O-N 3.18Å; Y180-C184 VanDerWaalsContact CZ-SG 3.56Å; Y180-C184 WeakPolarHBondContact O-CB 3.41Å; Y180-C184 PolarHBondContact O-N 2.87Å; Y180-W225 AromaticContact CD1-CH2 3.73Å; Y180-W225 HydrophobicContact CD1-CH2 3.73Å; Y180-W225 HydrophobicContact CD1-CZ3 4.12Å; Y180-W225 HydrophobicContact CD2-CH2 4.39Å; Y180-W225 HydrophobicContact CD2-CZ3 4.02Å; Y180-W225 AromaticContact CE1-CH2 3.76Å; Y180-W225 HydrophobicContact CE1-CH2 3.76Å; Y180-W225 HydrophobicContact CE1-CZ3 4.34Å; Y180-W225 HydrophobicContact CE2-CH2 4.4Å; Y180-W225 HydrophobicContact CE2-CZ3 4.23Å; Y180-W225 HydrophobicContact CG-CH2 4.06Å; Y180-W225 AromaticContact CG-CZ3 3.96Å; Y180-W225 HydrophobicContact CG-CZ3 3.96Å; Y180-I371 HydrophobicContact CE2-CG2 4.03Å; Y180-T373 PolarHBondContact OH-OG1 3.19Å
181	V	98.5	Very high	98.2	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.1	-41.3	177.8	172.5	0	0	0	0	110.8	I157 E174 T176 S178 P179 M183 C184 M185 L255	I157-V181 HydrophobicContact CD1-CG1 4.39Å; E174-V181 WeakPolarHBondContact OE1-CG1 3.5Å; T176-V181 HydrophobicContact CG2-CB 4.24Å; T176-V181 HydrophobicContact CG2-CG1 4Å; S178-V181 WeakPolarHBondContact O-CB 3.36Å; S178-V181 PolarHBondContact O-N 3.07Å; S178-V181 VanDerWaalsContact O-N 3.14Å; S178-V181 PolarHBondContact OG-N 3.3Å; P179-V181 VanDerWaalsContact C-N 3.3Å; P179-V181 PolarHBondContact O-N 3Å; V181-M183 PolarHBondContact O-N 3.49Å; V181-C184 PolarHBondContact O-N 2.89Å; V181-M185 HydrophobicContact CG1-CG 4.07Å; V181-M185 VanDerWaalsContact O-CB 3.25Å; V181-M185 WeakPolarHBondContact O-CB 3.47Å; V181-M185 VanDerWaalsContact O-CG 3.29Å; V181-M185 WeakPolarHBondContact O-CG 3.32Å; V181-M185 PolarHBondContact O-N 2.92Å; V181-L255 HydrophobicContact CG1-CD2 4.25Å
182	V	98.2	Very high	98	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-57	-50.7	175.1	-178.9	0	0	0	0	110.8	V60 I70 Y155 I157 T176 S178 P179 Y180 C184 M185 R186	V60-V182 HydrophobicContact CG1-CG1 4.3Å; V60-V182 HydrophobicContact CG2-CG1 3.89Å; I70-V182 HydrophobicContact CD1-CB 4.42Å; I70-V182 HydrophobicContact CD1-CG1 3.71Å; Y155-V182 HydrophobicContact CD1-CG2 3.77Å; Y155-V182 HydrophobicContact CD2-CG2 3.92Å; Y155-V182 HydrophobicContact CE1-CG2 4.45Å; Y155-V182 HydrophobicContact CG-CG2 3.46Å; Y155-V182 VanDerWaalsContact CG-CG2 3.46Å; I157-V182 HydrophobicContact CD1-CB 4.35Å; I157-V182 HydrophobicContact CD1-CG2 3.94Å; I157-V182 HydrophobicContact CG1-CG2 4.23Å; T176-V182 HydrophobicContact CG2-CG2 4.03Å; S178-V182 PolarHBondContact O-N 3.37Å; P179-V182 WeakPolarHBondContact O-CB 3.27Å; P179-V182 PolarHBondContact O-N 2.73Å; Y180-V182 VanDerWaalsContact C-N 3.34Å; Y180-V182 PolarHBondContact O-N 3.1Å; V182-C184 PolarHBondContact O-N 3.07Å; V182-M185 PolarHBondContact O-N 2.83Å; V182-R186 VanDerWaalsContact O-CG 3.3Å; V182-R186 WeakPolarHBondContact O-CG 3.39Å; V182-R186 PolarHBondContact O-N 3Å
183	M	97.7	Very high	97.8	Very high	18 Å²	18	11.2 Å²	11.2	9%	0.089	7%	0.066	C	C	.	.	H	α-helix	trans	-63.4	-43.9	-178.6	-67.7	-55.1	-61.5	0	0	112.5	I70 T71 M74 P179 Y180 V181 R186 I187 I371	I70-M183 HydrophobicContact CB-SD 3.93Å; I70-M183 HydrophobicContact CG2-CG 3.75Å; I70-M183 HydrophobicContact CG2-SD 3.79Å; T71-M183 VanDerWaalsContact OG1-CE 3.26Å; T71-M183 WeakPolarHBondContact OG1-CE 3.47Å; M74-M183 HydrophobicContact SD-CG 3.92Å; P179-M183 WeakPolarHBondContact O-CG 3.49Å; P179-M183 PolarHBondContact O-N 3.31Å; Y180-M183 PolarHBondContact O-N 3.18Å; V181-M183 PolarHBondContact O-N 3.49Å; M183-R186 PolarHBondContact O-N 2.97Å; M183-I187 PolarHBondContact O-N 3.14Å; M183-I371 HydrophobicContact CB-CD1 3.69Å
184	C	98.2	Very high	97.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-68.7	-39.2	176.9	-75	0	0	0	0	112.6	Y180 V181 V182 R186 I187 M188 L255 T423	Y180-C184 VanDerWaalsContact CZ-SG 3.56Å; Y180-C184 WeakPolarHBondContact O-CB 3.41Å; Y180-C184 PolarHBondContact O-N 2.87Å; V181-C184 PolarHBondContact O-N 2.89Å; V182-C184 PolarHBondContact O-N 3.07Å; C184-R186 VanDerWaalsContact C-N 3.32Å; C184-R186 PolarHBondContact O-N 3.46Å; C184-I187 PolarHBondContact O-N 3.41Å; C184-I187 VanDerWaalsContact O-N 3.13Å; C184-M188 WeakPolarHBondContact O-CB 3.44Å; C184-M188 WeakPolarHBondContact O-CG 3.3Å; C184-M188 PolarHBondContact O-N 3.23Å; C184-L255 HydrophobicContact CB-CD1 3.94Å; C184-L255 HydrophobicContact CB-CD2 3.4Å; C184-L255 HydrophobicContact CB-CG 4.32Å; C184-T423 HydrophobicContact CB-CG2 4.3Å
185	M	98.5	Very high	97.4	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-64.7	-36.1	176.8	-78.8	-66.2	-72.9	0	0	111.9	I157 F159 E174 V181 V182 I187 M188 T189 L255	I157-M185 HydrophobicContact CD1-CB 4.19Å; I157-M185 HydrophobicContact CD1-CG 4.24Å; I157-M185 HydrophobicContact CG2-CB 4.3Å; F159-M185 HydrophobicContact CB-CE 4.27Å; F159-M185 HydrophobicContact CD1-CE 3.63Å; F159-M185 HydrophobicContact CD2-CE 3.87Å; F159-M185 HydrophobicContact CE1-CE 3.87Å; F159-M185 HydrophobicContact CE2-CE 4.07Å; F159-M185 HydrophobicContact CG-CE 3.64Å; F159-M185 HydrophobicContact CZ-CE 4.08Å; E174-M185 WeakPolarHBondContact OE2-CE 3.44Å; V181-M185 HydrophobicContact CG1-CG 4.07Å; V181-M185 VanDerWaalsContact O-CB 3.25Å; V181-M185 WeakPolarHBondContact O-CB 3.47Å; V181-M185 VanDerWaalsContact O-CG 3.29Å; V181-M185 WeakPolarHBondContact O-CG 3.32Å; V181-M185 PolarHBondContact O-N 2.92Å; V182-M185 PolarHBondContact O-N 2.83Å; M185-I187 PolarHBondContact O-N 2.82Å; M185-M188 PolarHBondContact O-N 3.37Å; M185-T189 HydrophobicContact CE-CG2 3.63Å; M185-T189 WeakPolarHBondContact O-CB 3.24Å; M185-T189 PolarHBondContact O-N 3.14Å; M185-T189 PolarHBondContact O-OG1 3.17Å; M185-T189 HydrophobicContact SD-CG2 3.97Å; M185-L255 HydrophobicContact CG-CD2 4.03Å; M185-L255 HydrophobicContact SD-CB 4.02Å; M185-L255 HydrophobicContact SD-CD2 4.38Å
186	R	97.2	Very high	97.3	Very high	56 Å²	56	18.1 Å²	18.1	21%	0.211	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-29.9	172.6	-75.6	173.9	53.1	148.3	-2.4	113.8	S63 E66 G67 V182 M183 C184 A191	S63-R186 VanDerWaalsContact O-CZ 3.24Å; S63-R186 PolarHBondContact O-NH1 2.88Å; S63-R186 PolarHBondContact O-NH2 3.06Å; E66-R186 IonicContact OE1-CZ 3.95Å; E66-R186 IonicContact OE1-NH1 3.8Å; E66-R186 PolarHBondContact OE1-NH1 3.44Å; G67-R186 VanDerWaalsContact CA-CZ 3.46Å; V182-R186 VanDerWaalsContact O-CG 3.3Å; V182-R186 WeakPolarHBondContact O-CG 3.39Å; V182-R186 PolarHBondContact O-N 3Å; M183-R186 PolarHBondContact O-N 2.97Å; C184-R186 VanDerWaalsContact C-N 3.32Å; C184-R186 PolarHBondContact O-N 3.46Å; R186-A191 HydrophobicContact CG-CB 4.33Å
187	I	97.9	Very high	97	Very high	23 Å²	23	25.7 Å²	25.7	12%	0.118	13%	0.132	C	C	.	.	H	α-helix	trans	-82.9	-45	175.6	-64.6	171.3	0	0	0	110.5	M183 C184 M185 A345 G346 I371 T423 P425	M183-I187 PolarHBondContact O-N 3.14Å; C184-I187 PolarHBondContact O-N 3.41Å; C184-I187 VanDerWaalsContact O-N 3.13Å; M185-I187 PolarHBondContact O-N 2.82Å; I187-A345 CarbonylContact O-C 3.2Å; I187-G346 WeakPolarHBondContact O-CA 3.3Å; I187-G346 PolarHBondContact O-N 3.01Å; I187-I371 HydrophobicContact CD1-CD1 4.02Å; I187-I371 HydrophobicContact CD1-CG1 4.17Å; I187-T423 HydrophobicContact CB-CG2 4.08Å; I187-T423 HydrophobicContact CD1-CG2 4.28Å; I187-T423 HydrophobicContact CG2-CG2 3.89Å; I187-P425 HydrophobicContact CG1-CG 4.45Å; I187-P425 HydrophobicContact CG2-CB 4.43Å; I187-P425 HydrophobicContact CG2-CG 4.04Å
188	M	98.6	Very high	96.8	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-83.5	-16	-170	-67.5	-55.5	-55.8	0	0	114.3	C184 M185 L255 K258 E344 A345 G346 F347 F348 T423	C184-M188 WeakPolarHBondContact O-CB 3.44Å; C184-M188 WeakPolarHBondContact O-CG 3.3Å; C184-M188 PolarHBondContact O-N 3.23Å; M185-M188 PolarHBondContact O-N 3.37Å; M188-L255 HydrophobicContact CG-CD1 4.21Å; M188-K258 HydrophobicContact CE-CD 4.28Å; M188-E344 HydrophobicContact CE-CB 4.49Å; M188-E344 WeakPolarHBondContact CE-OE1 3.32Å; M188-A345 PolarHBondContact O-N 3.03Å; M188-G346 WeakPolarHBondContact CE-O 3.36Å; M188-G346 VanDerWaalsContact SD-C 3.55Å; M188-F347 VanDerWaalsContact SD-C 3.58Å; M188-F348 HydrophobicContact CE-CB 3.8Å; M188-F348 HydrophobicContact SD-CB 3.93Å; M188-T423 HydrophobicContact CG-CG2 3.71Å; M188-T423 HydrophobicContact SD-CG2 3.76Å
189	T	98.6	Very high	96.7	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.018	15%	0.145	C	C	.	.	S	Bend	trans	-134.7	165.6	-179.1	72	0	0	0	0	110.3	F159 M161 M185 A191 A345	F159-T189 HydrophobicContact CB-CG2 4.45Å; F159-T189 WeakPolarHBondContact CB-OG1 3.26Å; F159-T189 HydrophobicContact CD2-CG2 3.95Å; F159-T189 HydrophobicContact CG-CG2 4.42Å; M161-T189 HydrophobicContact CE-CG2 4.49Å; M161-T189 HydrophobicContact SD-CG2 3.6Å; M185-T189 HydrophobicContact CE-CG2 3.63Å; M185-T189 WeakPolarHBondContact O-CB 3.24Å; M185-T189 PolarHBondContact O-N 3.14Å; M185-T189 PolarHBondContact O-OG1 3.17Å; M185-T189 HydrophobicContact SD-CG2 3.97Å; T189-A191 PolarHBondContact O-N 3.3Å; T189-A345 VanDerWaalsContact C-CB 3.47Å
190	R	97.8	Very high	96.5	Very high	28 Å²	28	28.2 Å²	28.2	11%	0.106	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	106.9	164.5	-67.7	88.9	-179	163.1	1.8	106.6	F159 S160 I164 V195 P343 E344 A345 E437	F159-R190 CarbonylContact C-O 3.45Å; F159-R190 VanDerWaalsContact CA-O 3.27Å; F159-R190 WeakPolarHBondContact CA-O 3.32Å; S160-R190 PolarHBondContact N-O 2.66Å; S160-R190 PolarHBondContact O-N 2.97Å; I164-R190 HydrophobicContact CD1-CB 4.16Å; I164-R190 HydrophobicContact CG1-CB 4.22Å; R190-V195 WeakPolarHBondContact O-CG2 3.5Å; R190-P343 PolarHBondContact NH1-O 2.85Å; R190-E344 VanDerWaalsContact NH1-C 3.26Å; R190-E344 PolarHBondContact NH1-O 2.74Å; R190-A345 HydrophobicContact CG-CB 4.42Å; R190-E437 IonicContact CZ-OE1 2.64Å; R190-E437 VanDerWaalsContact CZ-OE1 3.24Å; R190-E437 IonicContact NE-OE1 2.72Å; R190-E437 PolarHBondContact NE-OE1 3.49Å; R190-E437 IonicContact NH2-OE1 2.76Å; R190-E437 PolarHBondContact NH2-OE1 3.22Å
191	A	96.4	Very high	96.2	Very high	23 Å²	23	33.3 Å²	33.3	19%	0.19	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.5	-176.6	0	0	0	0	0	111.8	I157 P158 F159 R186 T189	I157-A191 HydrophobicContact CG2-CB 4.09Å; P158-A191 CarbonylContact O-C 3.09Å; P158-A191 VanDerWaalsContact O-CA 3.24Å; P158-A191 WeakPolarHBondContact O-CA 3.33Å; F159-A191 HydrophobicContact CB-CB 4.39Å; R186-A191 HydrophobicContact CG-CB 4.33Å; T189-A191 PolarHBondContact O-N 3.3Å
192	G	94.3	Very high	96	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.031	21%	0.214	C	C	.	.	S	Bend	trans	127.2	-160.7	170	0	0	0	0	0	116.1	D61 P158 E194 V195	D61-G192 WeakPolarHBondContact O-CA 3.38Å; P158-G192 PolarHBondContact O-N 3.49Å; G192-E194 PolarHBondContact O-N 3.42Å; G192-V195 WeakPolarHBondContact O-CB 3.16Å; G192-V195 PolarHBondContact O-N 3.47Å; G192-V195 VanDerWaalsContact O-N 3.12Å
193	A	93.2	Very high	95.9	Very high	55 Å²	55	45.8 Å²	45.8	46%	0.455	25%	0.247	S	C	.	.	H	α-helix	trans	-62.4	-36.4	-168.5	0	0	0	0	0	114.6	D61 V195 L196 K197	D61-A193 PolarHBondContact O-N 2.82Å; D61-A193 VanDerWaalsContact O-N 3.11Å; A193-V195 PolarHBondContact O-N 3.42Å; A193-L196 WeakPolarHBondContact O-CB 3.21Å; A193-L196 PolarHBondContact O-N 3.48Å; A193-L196 VanDerWaalsContact O-N 3.13Å; A193-K197 PolarHBondContact O-N 3.49Å; A193-K197 VanDerWaalsContact O-N 3.11Å
194	E	94.1	Very high	95.9	Very high	118 Å²	118	46 Å²	46	55%	0.551	25%	0.247	S	C	*	.	H	α-helix	trans	-63.2	-28.2	177.9	-68.9	-56.7	130.3	0	0	112.3	I164 G192 K197 A198	I164-E194 HydrophobicContact CD1-CB 4.09Å; G192-E194 PolarHBondContact O-N 3.42Å; E194-K197 PolarHBondContact O-N 3.33Å; E194-A198 WeakPolarHBondContact O-CB 3.19Å; E194-A198 PolarHBondContact O-N 3.19Å
195	V	97	Very high	95.9	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-69.5	-43.3	174.6	-179.1	0	0	0	0	110.8	P158 I164 I171 R190 G192 A193 K197 A198 L199	P158-V195 HydrophobicContact CB-CB 4.33Å; P158-V195 HydrophobicContact CB-CG1 4.35Å; I164-V195 HydrophobicContact CD1-CG2 3.98Å; I171-V195 HydrophobicContact CB-CG1 4.41Å; I171-V195 HydrophobicContact CD1-CG1 4Å; I171-V195 HydrophobicContact CG1-CG1 4Å; I171-V195 HydrophobicContact CG2-CG1 3.62Å; R190-V195 WeakPolarHBondContact O-CG2 3.5Å; G192-V195 WeakPolarHBondContact O-CB 3.16Å; G192-V195 PolarHBondContact O-N 3.47Å; G192-V195 VanDerWaalsContact O-N 3.12Å; A193-V195 PolarHBondContact O-N 3.42Å; V195-K197 VanDerWaalsContact C-N 3.27Å; V195-K197 PolarHBondContact O-N 2.93Å; V195-A198 PolarHBondContact O-N 3.19Å; V195-L199 WeakPolarHBondContact O-CB 3.26Å; V195-L199 PolarHBondContact O-N 3.23Å
196	L	95.1	Very high	95.9	Very high	26 Å²	26	49.7 Å²	49.7	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-40.2	176.7	-70.9	169.9	0	0	0	111.3	L37 P158 I173 A193 L199 G200	L37-L196 HydrophobicContact CD2-CD1 3.6Å; L37-L196 HydrophobicContact CD2-CD2 3.87Å; L37-L196 HydrophobicContact CD2-CG 4.4Å; P158-L196 HydrophobicContact CB-CD1 4.35Å; P158-L196 HydrophobicContact CB-CD2 3.69Å; P158-L196 HydrophobicContact CB-CG 3.63Å; P158-L196 HydrophobicContact CG-CD1 3.96Å; P158-L196 HydrophobicContact CG-CD2 4.2Å; P158-L196 HydrophobicContact CG-CG 3.77Å; I173-L196 HydrophobicContact CD1-CD2 4.21Å; A193-L196 WeakPolarHBondContact O-CB 3.21Å; A193-L196 PolarHBondContact O-N 3.48Å; A193-L196 VanDerWaalsContact O-N 3.13Å; L196-L199 PolarHBondContact O-N 3.14Å; L196-G200 PolarHBondContact O-N 3.06Å
197	K	93.4	Very high	96	Very high	160 Å²	160	47 Å²	47	70%	0.696	25%	0.252	S	S	*	.	H	α-helix	trans	-63.4	-43.9	174.6	-176.4	-178.4	174.2	-172.1	0	112	A193 E194 V195 L199	A193-K197 PolarHBondContact O-N 3.49Å; A193-K197 VanDerWaalsContact O-N 3.11Å; E194-K197 PolarHBondContact O-N 3.33Å; V195-K197 VanDerWaalsContact C-N 3.27Å; V195-K197 PolarHBondContact O-N 2.93Å; K197-L199 VanDerWaalsContact C-N 3.34Å
198	A	95.2	Very high	96	Very high	39 Å²	39	45.9 Å²	45.9	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-68.6	-31.1	177.5	0	0	0	0	0	113.2	I164 I171 E194 V195	I164-A198 HydrophobicContact CG2-CB 3.6Å; I171-A198 HydrophobicContact CD1-CB 4.15Å; E194-A198 WeakPolarHBondContact O-CB 3.19Å; E194-A198 PolarHBondContact O-N 3.19Å; V195-A198 PolarHBondContact O-N 3.19Å
199	L	95.8	Very high	96	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-66.8	-48.1	177.7	-179.5	59.7	0	0	0	111.9	V41 I171 I173 V195 L196 K197 D201 Q202 F204	V41-L199 HydrophobicContact CG2-CD2 3.66Å; I171-L199 HydrophobicContact CB-CD1 4.06Å; I171-L199 HydrophobicContact CD1-CB 3.79Å; I171-L199 HydrophobicContact CD1-CD1 4.25Å; I171-L199 HydrophobicContact CG2-CB 4.21Å; I171-L199 HydrophobicContact CG2-CD1 3.87Å; I171-L199 HydrophobicContact CG2-CD2 4.07Å; I171-L199 HydrophobicContact CG2-CG 4.27Å; I173-L199 HydrophobicContact CD1-CD2 4.21Å; V195-L199 WeakPolarHBondContact O-CB 3.26Å; V195-L199 PolarHBondContact O-N 3.23Å; L196-L199 PolarHBondContact O-N 3.14Å; K197-L199 VanDerWaalsContact C-N 3.34Å; L199-D201 PolarHBondContact O-N 2.77Å; L199-Q202 HydrophobicContact CD1-CB 4.19Å; L199-Q202 VanDerWaalsContact O-CB 3.31Å; L199-Q202 WeakPolarHBondContact O-CB 3.33Å; L199-Q202 WeakPolarHBondContact O-CG 3.35Å; L199-Q202 PolarHBondContact O-N 3.43Å; L199-Q202 VanDerWaalsContact O-N 3.16Å; L199-F204 HydrophobicContact CD1-CB 3.88Å; L199-F204 HydrophobicContact CD1-CD1 4.33Å; L199-F204 HydrophobicContact CD2-CB 4.27Å; L199-F204 HydrophobicContact CD2-CD1 3.92Å; L199-F204 HydrophobicContact CD2-CG 4.27Å
200	G	92.7	Very high	96	Very high	32 Å²	32	45.7 Å²	45.7	33%	0.33	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	-135.4	-169.6	0	0	0	0	0	110.9	P38 L196	P38-G200 WeakPolarHBondContact CB-O 3.4Å; P38-G200 WeakPolarHBondContact CG-O 3.41Å; L196-G200 PolarHBondContact O-N 3.06Å
201	D	91.8	Very high	96	Very high	108 Å²	108	44.7 Å²	44.7	58%	0.578	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	13.3	179	-65.5	-49.4	0	0	0	114.5	K40 L199	K40-D201 WeakPolarHBondContact CE-O 3.31Å; K40-D201 PolarHBondContact NZ-O 3.06Å; L199-D201 PolarHBondContact O-N 2.77Å
202	Q	94.2	Very high	96.1	Very high	133 Å²	133	43.8 Å²	43.8	62%	0.621	23%	0.234	S	C	*	.	S	Bend	trans	-68.5	163.4	178.3	-61.4	-177.8	50.3	0	0	112	L199	L199-Q202 HydrophobicContact CD1-CB 4.19Å; L199-Q202 VanDerWaalsContact O-CB 3.31Å; L199-Q202 WeakPolarHBondContact O-CB 3.33Å; L199-Q202 WeakPolarHBondContact O-CG 3.35Å; L199-Q202 PolarHBondContact O-N 3.43Å; L199-Q202 VanDerWaalsContact O-N 3.16Å
203	D	95.3	Very high	96.2	Very high	129 Å²	129	44.3 Å²	44.3	69%	0.69	24%	0.237	S	C	*	.			trans	-72.6	151.9	171.9	-65.6	-37.2	0	0	0	111.2	K40	K40-D203 WeakPolarHBondContact CE-OD1 3.42Å; K40-D203 IonicContact NZ-OD1 2.84Å; K40-D203 PolarHBondContact NZ-OD1 3.08Å
204	F	97.8	Very high	96.4	Very high	21 Å²	21	44 Å²	44	9%	0.092	23%	0.231	C	C	.	.			trans	-139.6	161.3	-179.4	56.9	-88.3	0	0	0	110.2	K40 V41 F44 I171 I173 L199 R206	K40-F204 HydrophobicContact CB-CE1 3.81Å; V41-F204 HydrophobicContact CB-CE1 4.42Å; V41-F204 HydrophobicContact CB-CZ 4.42Å; V41-F204 HydrophobicContact CG2-CD1 4.1Å; V41-F204 HydrophobicContact CG2-CE1 3.58Å; V41-F204 HydrophobicContact CG2-CZ 3.92Å; F44-F204 HydrophobicContact CB-CE2 4.37Å; F44-F204 HydrophobicContact CB-CZ 3.95Å; F44-F204 AromaticContact CD1-CE2 3.72Å; F44-F204 HydrophobicContact CD1-CE2 3.72Å; F44-F204 HydrophobicContact CD1-CZ 4.11Å; F44-F204 HydrophobicContact CE1-CE2 4.26Å; F44-F204 HydrophobicContact CG-CE2 4.15Å; F44-F204 HydrophobicContact CG-CZ 4.24Å; I171-F204 HydrophobicContact CG2-CB 4.34Å; I171-F204 WeakPolarHBondContact O-CA 3.32Å; I171-F204 WeakPolarHBondContact O-CB 3.26Å; I173-F204 HydrophobicContact CB-CD2 3.86Å; I173-F204 HydrophobicContact CB-CE2 3.81Å; I173-F204 HydrophobicContact CG1-CD2 3.43Å; I173-F204 VanDerWaalsContact CG1-CD2 3.43Å; I173-F204 HydrophobicContact CG1-CE2 3.56Å; I173-F204 HydrophobicContact CG1-CG 3.95Å; I173-F204 HydrophobicContact CG1-CZ 4.18Å; L199-F204 HydrophobicContact CD1-CB 3.88Å; L199-F204 HydrophobicContact CD1-CD1 4.33Å; L199-F204 HydrophobicContact CD2-CB 4.27Å; L199-F204 HydrophobicContact CD2-CD1 3.92Å; L199-F204 HydrophobicContact CD2-CG 4.27Å; F204-R206 HydrophobicContact CD2-CG 4.09Å; F204-R206 HydrophobicContact CE2-CG 3.58Å; F204-R206 HydrophobicContact CZ-CG 4.31Å; F204-R206 PolarHBondContact O-N 3.43Å
205	V	98.3	Very high	96.5	Very high	6 Å²	6	44.4 Å²	44.4	4%	0.036	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	122.7	172.6	-179.8	0	0	0	0	109.7	I171 G172 I173 C207 R241 V243 F261 I265	I171-V205 PolarHBondContact O-N 2.67Å; G172-V205 CarbonylContact C-O 3.59Å; G172-V205 WeakPolarHBondContact CA-O 3.37Å; I173-V205 PolarHBondContact N-O 2.89Å; V205-C207 PolarHBondContact O-N 3Å; V205-R241 WeakPolarHBondContact CA-O 3.32Å; V205-R241 WeakPolarHBondContact CG1-O 3.44Å; V205-R241 HydrophobicContact CG2-CB 4.27Å; V205-V243 HydrophobicContact CG1-CG2 4.38Å; V205-F261 HydrophobicContact CB-CD1 4.01Å; V205-F261 HydrophobicContact CB-CD2 4.35Å; V205-F261 HydrophobicContact CB-CE1 3.72Å; V205-F261 HydrophobicContact CB-CE2 4.11Å; V205-F261 HydrophobicContact CB-CG 4.32Å; V205-F261 HydrophobicContact CB-CZ 3.76Å; V205-F261 HydrophobicContact CG1-CD1 4.13Å; V205-F261 HydrophobicContact CG1-CD2 4.22Å; V205-F261 HydrophobicContact CG1-CE1 4.34Å; V205-F261 HydrophobicContact CG1-CE2 4.46Å; V205-F261 HydrophobicContact CG1-CG 4.07Å; V205-F261 HydrophobicContact CG1-CZ 4.48Å; V205-F261 HydrophobicContact CG2-CD1 4.27Å; V205-F261 HydrophobicContact CG2-CD2 3.87Å; V205-F261 HydrophobicContact CG2-CE1 3.74Å; V205-F261 HydrophobicContact CG2-CE2 3.31Å; V205-F261 HydrophobicContact CG2-CG 4.34Å; V205-F261 HydrophobicContact CG2-CZ 3.19Å; V205-I265 HydrophobicContact CG1-CG2 4.38Å; V205-I265 HydrophobicContact CG2-CG2 4.22Å
206	R	98.7	Very high	96.4	Very high	73 Å²	73	49.3 Å²	49.3	28%	0.275	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	110.2	-179.9	-75	175.9	-69.5	-155	-1	109.2	F44 F204 I208 Q240 R241 E242 V243	F44-R206 HydrophobicContact CD1-CG 4.29Å; F44-R206 HydrophobicContact CD2-CB 4.24Å; F44-R206 HydrophobicContact CD2-CG 3.75Å; F44-R206 HydrophobicContact CE1-CB 4.35Å; F44-R206 HydrophobicContact CE1-CG 4.27Å; F44-R206 HydrophobicContact CE2-CB 3.7Å; F44-R206 HydrophobicContact CE2-CG 3.74Å; F44-R206 HydrophobicContact CG-CG 4.04Å; F44-R206 HydrophobicContact CZ-CB 3.75Å; F44-R206 HydrophobicContact CZ-CG 4Å; F204-R206 HydrophobicContact CD2-CG 4.09Å; F204-R206 HydrophobicContact CE2-CG 3.58Å; F204-R206 HydrophobicContact CZ-CG 4.31Å; F204-R206 PolarHBondContact O-N 3.43Å; R206-I208 HydrophobicContact CB-CD1 4.26Å; R206-Q240 PolarHBondContact NH2-O 3.18Å; R206-R241 PolarHBondContact N-O 3.09Å; R206-E242 HydrophobicContact CB-CG 3.69Å; R206-E242 IonicContact CZ-OE1 3.47Å; R206-E242 IonicContact NE-OE1 3.58Å; R206-E242 PolarHBondContact NE-OE1 2.99Å; R206-E242 IonicContact NH1-OE1 3.5Å; R206-E242 IonicContact NH2-OE1 3.56Å; R206-E242 PolarHBondContact NH2-OE1 3.46Å; R206-E242 CarbonylContact O-C 3.53Å; R206-E242 VanDerWaalsContact O-CA 3.29Å; R206-E242 WeakPolarHBondContact O-CA 3.2Å; R206-V243 PolarHBondContact O-N 3.31Å
207	C	98.9	Very high	96.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.6	-179.6	-70	0	0	0	0	109.3	I173 E174 L175 V205 L256	I173-C207 WeakPolarHBondContact O-CB 3.29Å; I173-C207 PolarHBondContact O-N 3.48Å; E174-C207 CarbonylContact C-O 3.53Å; E174-C207 WeakPolarHBondContact CA-O 3.11Å; E174-C207 HydrophobicContact CB-CB 3.79Å; E174-C207 HydrophobicContact CG-CB 3.93Å; L175-C207 PolarHBondContact N-O 3.35Å; V205-C207 PolarHBondContact O-N 3Å; C207-L256 HydrophobicContact CB-CB 3.86Å; C207-L256 HydrophobicContact CB-CD1 3.67Å; C207-L256 HydrophobicContact CB-CG 4.38Å
208	I	98.8	Very high	96	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.9	-178.9	-54.3	81.5	0	0	0	108	F44 K48 M52 F145 R206 V243 W244 S245	F44-I208 HydrophobicContact CE2-CD1 3.86Å; F44-I208 HydrophobicContact CE2-CG1 3.92Å; F44-I208 HydrophobicContact CZ-CD1 3.94Å; F44-I208 HydrophobicContact CZ-CG1 3.9Å; K48-I208 HydrophobicContact CG-CG1 4.32Å; M52-I208 HydrophobicContact CE-CG2 3.77Å; M52-I208 HydrophobicContact SD-CG2 3.9Å; F145-I208 HydrophobicContact CD1-CG2 4.03Å; F145-I208 HydrophobicContact CE1-CG2 3.6Å; F145-I208 HydrophobicContact CZ-CG2 4.37Å; R206-I208 HydrophobicContact CB-CD1 4.26Å; I208-V243 WeakPolarHBondContact CD1-O 3.25Å; I208-V243 PolarHBondContact N-O 3.08Å; I208-W244 HydrophobicContact CB-CD2 4.11Å; I208-W244 HydrophobicContact CB-CE3 3.83Å; I208-W244 HydrophobicContact CB-CZ3 4.15Å; I208-W244 HydrophobicContact CD1-CD2 4.04Å; I208-W244 HydrophobicContact CD1-CE3 4.49Å; I208-W244 HydrophobicContact CD1-CG 4.43Å; I208-W244 HydrophobicContact CD1-CZ2 4.05Å; I208-W244 HydrophobicContact CG1-CD2 4.23Å; I208-W244 HydrophobicContact CG1-CE3 4.18Å; I208-W244 HydrophobicContact CG1-CH2 4.22Å; I208-W244 HydrophobicContact CG1-CZ2 4.24Å; I208-W244 HydrophobicContact CG1-CZ3 4.19Å; I208-W244 HydrophobicContact CG2-CE3 3.83Å; I208-W244 HydrophobicContact CG2-CZ3 3.81Å; I208-W244 CarbonylContact O-C 3.54Å; I208-W244 WeakPolarHBondContact O-CA 3.16Å; I208-S245 PolarHBondContact O-N 3.41Å
209	H	98.9	Very high	95.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.3	179.9	173.2	-98.5	0	0	0	111.3	M149 L175 T176 S245 S248 S254 L256	M149-H209 WeakPolarHBondContact CE-O 3.19Å; L175-H209 WeakPolarHBondContact O-CA 3.44Å; L175-H209 WeakPolarHBondContact O-CB 3.32Å; L175-H209 PolarHBondContact O-N 3.32Å; L175-H209 VanDerWaalsContact O-O 3.07Å; T176-H209 WeakPolarHBondContact CA-O 3.47Å; T176-H209 PolarHBondContact OG1-ND1 3.4Å; H209-S245 CarbonylContact C-O 3.59Å; H209-S245 VanDerWaalsContact CA-O 3.28Å; H209-S245 WeakPolarHBondContact CA-O 3.4Å; H209-S248 PolarHBondContact NE2-O 3.43Å; H209-S254 WeakPolarHBondContact NE2-CB 3.13Å; H209-L256 HydrophobicContact CB-CD1 3.86Å; H209-L256 HydrophobicContact CB-CG 4.4Å
210	S	98.8	Very high	95.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	139.8	163.8	174.8	0	0	0	0	110.8	C148 D177 G212 S245 F246 G247	C148-S210 VanDerWaalsContact SG-CB 3.55Å; C148-S210 PolarHBondContact SG-OG 3.37Å; C148-S210 VanDerWaalsContact SG-OG 3.38Å; D177-S210 WeakPolarHBondContact OD1-CA 3.38Å; D177-S210 PolarHBondContact OD2-OG 3.05Å; S210-G212 PolarHBondContact O-N 3.36Å; S210-G212 PolarHBondContact OG-N 3.49Å; S210-S245 PolarHBondContact N-O 3.14Å; S210-F246 CarbonylContact O-C 3.58Å; S210-F246 VanDerWaalsContact O-CA 3.3Å; S210-F246 WeakPolarHBondContact O-CA 3.33Å; S210-G247 PolarHBondContact O-N 2.86Å
211	I	97.9	Very high	95.5	Very high	7 Å²	7	66.7 Å²	66.7	4%	0.036	32%	0.32	C	S	.	.			trans	-66.8	-11.2	170.5	66.2	-165	0	0	0	112.9	D177 C213 L226 G247	D177-I211 WeakPolarHBondContact OD1-CG1 3.42Å; D177-I211 PolarHBondContact OD1-N 2.97Å; I211-C213 HydrophobicContact CG1-CB 4.24Å; I211-L226 HydrophobicContact CD1-CB 3.72Å; I211-L226 HydrophobicContact CD1-CD1 4.15Å; I211-L226 HydrophobicContact CG1-CB 4.37Å; I211-G247 WeakPolarHBondContact O-CA 3.32Å
212	G	97.9	Very high	95.6	Very high	4 Å²	4	64 Å²	64	4%	0.041	31%	0.305	C	S	.	.	S	Bend	trans	73.5	29.2	171.4	0	0	0	0	0	114.9	S210 N228	S210-G212 PolarHBondContact O-N 3.36Å; S210-G212 PolarHBondContact OG-N 3.49Å; G212-N228 PolarHBondContact O-ND2 2.67Å
213	C	97.4	Very high	95.5	Very high	14 Å²	14	59.8 Å²	59.8	10%	0.095	29%	0.29	C	S	.	.			trans	-127.6	67.2	-175.2	-71.2	0	0	0	0	112.2	R152 I211 L226 C227	R152-C213 PolarHBondContact NE-O 3.2Å; R152-C213 PolarHBondContact NH2-O 3.31Å; I211-C213 HydrophobicContact CG1-CB 4.24Å; C213-L226 HydrophobicContact CB-CB 4.39Å; C213-L226 HydrophobicContact CB-CD2 4.12Å; C213-C227 PolarHBondContact SG-O 3.36Å
214	P	97.2	Very high	95.5	Very high	50 Å²	50	58.8 Å²	58.8	33%	0.325	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-58.6	156.2	178.4	24.9	-34.2	0	0	0	112.3	C148 K150 P216	C148-P214 WeakPolarHBondContact O-CB 3.36Å; C148-P214 WeakPolarHBondContact O-CD 3.46Å; K150-P214 HydrophobicContact CB-CB 3.96Å; P214-P216 CarbonylContact O-C 3.47Å
215	R	95.9	Very high	95.5	Very high	125 Å²	125	58.1 Å²	58.1	47%	0.472	28%	0.278	S	S	.	.	S	Bend	trans	-85.4	146.5	176.1	-63.4	-166.3	-176.6	-99.2	-0.8	112	K150 G151	K150-R215 PolarHBondContact O-N 3.24Å; G151-R215 WeakPolarHBondContact O-CD 3.45Å; G151-R215 PolarHBondContact O-NE 3.01Å; G151-R215 VanDerWaalsContact O-NE 3.13Å
216	P	95.1	Very high	95.4	Very high	104 Å²	104	59.3 Å²	59.3	68%	0.675	28%	0.284	S	S	*	.	S	Bend	cis	-68.6	141.8	-7.8	29.8	-35.1	0	0	0	111.6	P214 K218	P214-P216 CarbonylContact O-C 3.47Å; P216-K218 PolarHBondContact O-N 3.48Å
217	V	92.2	Very high	95.3	Very high	51 Å²	51	56.3 Å²	56.3	31%	0.309	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-70.9	118.5	179.9	179.8	0	0	0	0	108.7	V221 L226	V217-V221 HydrophobicContact CG1-CG2 3.94Å; V217-L226 HydrophobicContact CG1-CD2 3.95Å; V217-L226 HydrophobicContact CG2-CD2 3.98Å
218	K	87.4	Confident	95.3	Very high	199 Å²	199	57.1 Å²	57.1	87%	0.865	28%	0.278	S	S	*	.			trans	-93	-12.4	-174.8	-61.3	-176.3	179.7	-179.6	0	114.5	P216	P216-K218 PolarHBondContact O-N 3.48Å
219	K	87.4	Confident	95.1	Very high	104 Å²	104	57.9 Å²	57.9	45%	0.452	28%	0.283	S	S	.	.	S	Bend	trans	-103.6	153.1	-178.9	-66.4	-178.6	177.9	178.7	0	110.1	V221 N228 E230	K219-V221 PolarHBondContact O-N 3.02Å; K219-N228 PolarHBondContact NZ-OD1 3.26Å; K219-E230 IonicContact NZ-OE2 3.09Å; K219-E230 PolarHBondContact NZ-OE2 3.2Å
220	R	91.2	Very high	94.9	Very high	219 Å²	219	63 Å²	63	83%	0.826	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-59	130.2	170.6	179.7	178.9	176.4	-175.9	-1.1	109.4
221	V	93.8	Very high	94.9	Very high	53 Å²	53	66.1 Å²	66.1	32%	0.321	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-91.8	130.8	173.5	-173.4	0	0	0	0	108.5	V217 K219 L226	V217-V221 HydrophobicContact CG1-CG2 3.94Å; K219-V221 PolarHBondContact O-N 3.02Å; V221-L226 HydrophobicContact CG1-CD2 4.24Å; V221-L226 HydrophobicContact CG1-CG 4.39Å; V221-L226 HydrophobicContact CG2-CD2 3.69Å
222	I	94.3	Very high	94.9	Very high	53 Å²	53	66.4 Å²	66.4	27%	0.272	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-108.1	132.3	177.3	-59.9	177.9	0	0	0	107.4	D95 Q224 W225	D95-I222 HydrophobicContact CB-CB 4.48Å; I222-Q224 PolarHBondContact O-N 3.43Å; I222-Q224 VanDerWaalsContact O-N 3.08Å; I222-W225 WeakPolarHBondContact O-CB 3.45Å; I222-W225 PolarHBondContact O-N 2.97Å
223	S	92.9	Very high	94.9	Very high	43 Å²	43	66.3 Å²	66.3	30%	0.301	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	27.7	178.9	-53.1	0	0	0	0	115.3	R93 W225	R93-S223 WeakPolarHBondContact O-CB 3.3Å; S223-W225 PolarHBondContact O-N 3.16Å
224	Q	94.5	Very high	95	Very high	108 Å²	108	65.7 Å²	65.7	51%	0.505	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	20.2	-170	-58.2	-59.5	-20.6	0	0	114.2	M79 I222	M79-Q224 HydrophobicContact CG-CB 4.45Å; I222-Q224 PolarHBondContact O-N 3.43Å; I222-Q224 VanDerWaalsContact O-N 3.08Å
225	W	97.3	Very high	95	Very high	8 Å²	8	63.3 Å²	63.3	3%	0.03	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-97.9	115.2	178.9	-171.9	-93.8	0	0	0	110.6	T94 D95 D98 Y180 I222 S223 G249	T94-W225 HydrophobicContact CG2-CD2 3.75Å; T94-W225 HydrophobicContact CG2-CE3 3.84Å; T94-W225 HydrophobicContact CG2-CG 4.43Å; T94-W225 HydrophobicContact CG2-CH2 3.76Å; T94-W225 HydrophobicContact CG2-CZ2 3.64Å; T94-W225 HydrophobicContact CG2-CZ3 3.86Å; D95-W225 HydrophobicContact CB-CB 4.48Å; D95-W225 HydrophobicContact CB-CG 4.46Å; D95-W225 VanDerWaalsContact N-CD1 3.27Å; D98-W225 PolarHBondContact OD2-NE1 3.13Å; Y180-W225 AromaticContact CD1-CH2 3.73Å; Y180-W225 HydrophobicContact CD1-CH2 3.73Å; Y180-W225 HydrophobicContact CD1-CZ3 4.12Å; Y180-W225 HydrophobicContact CD2-CH2 4.39Å; Y180-W225 HydrophobicContact CD2-CZ3 4.02Å; Y180-W225 AromaticContact CE1-CH2 3.76Å; Y180-W225 HydrophobicContact CE1-CH2 3.76Å; Y180-W225 HydrophobicContact CE1-CZ3 4.34Å; Y180-W225 HydrophobicContact CE2-CH2 4.4Å; Y180-W225 HydrophobicContact CE2-CZ3 4.23Å; Y180-W225 HydrophobicContact CG-CH2 4.06Å; Y180-W225 AromaticContact CG-CZ3 3.96Å; Y180-W225 HydrophobicContact CG-CZ3 3.96Å; I222-W225 WeakPolarHBondContact O-CB 3.45Å; I222-W225 PolarHBondContact O-N 2.97Å; S223-W225 PolarHBondContact O-N 3.16Å; W225-G249 WeakPolarHBondContact CZ2-O 3.33Å
226	L	96.8	Very high	95.2	Very high	31 Å²	31	57.3 Å²	57.3	16%	0.162	28%	0.279	C	S	.	.			trans	-92	121.6	179.4	-71.8	160.8	0	0	0	109.7	R152 I211 C213 V217 V221	R152-L226 VanDerWaalsContact NH1-CD1 3.32Å; I211-L226 HydrophobicContact CD1-CB 3.72Å; I211-L226 HydrophobicContact CD1-CD1 4.15Å; I211-L226 HydrophobicContact CG1-CB 4.37Å; C213-L226 HydrophobicContact CB-CB 4.39Å; C213-L226 HydrophobicContact CB-CD2 4.12Å; V217-L226 HydrophobicContact CG1-CD2 3.95Å; V217-L226 HydrophobicContact CG2-CD2 3.98Å; V221-L226 HydrophobicContact CG1-CD2 4.24Å; V221-L226 HydrophobicContact CG1-CG 4.39Å; V221-L226 HydrophobicContact CG2-CD2 3.69Å
227	C	97.6	Very high	95.3	Very high	9 Å²	9	54.2 Å²	54.2	6%	0.061	25%	0.254	C	S	.	.			trans	-151.3	168.4	175.8	63.8	0	0	0	0	109.9	D95 D98 C213 G247	D95-C227 VanDerWaalsContact CB-SG 3.56Å; D98-C227 HydrophobicContact CB-CB 4.01Å; D98-C227 WeakPolarHBondContact OD2-CB 3.48Å; C213-C227 PolarHBondContact SG-O 3.36Å; C227-G247 WeakPolarHBondContact CB-O 2.95Å
228	N	97.1	Very high	95.5	Very high	17 Å²	17	52 Å²	52	9%	0.091	24%	0.24	C	C	.	.			trans	-133.8	72.4	177.2	-165.4	-10.7	0	0	0	110.4	G212 K219 E230 K231 T232 G247	G212-N228 PolarHBondContact O-ND2 2.67Å; K219-N228 PolarHBondContact NZ-OD1 3.26Å; N228-E230 PolarHBondContact O-N 2.61Å; N228-E230 VanDerWaalsContact O-N 3.13Å; N228-E230 PolarHBondContact OD1-OE2 2.94Å; N228-K231 CarbonylContact O-C 3.15Å; N228-K231 PolarHBondContact O-N 2.75Å; N228-T232 PolarHBondContact O-N 3.38Å; N228-T232 VanDerWaalsContact O-N 3.08Å; N228-T232 PolarHBondContact O-OG1 3.1Å; N228-G247 CarbonylContact C-O 3.44Å; N228-G247 PolarHBondContact N-O 3.34Å
229	P	95.7	Very high	95.8	Very high	16 Å²	16	46.2 Å²	46.2	10%	0.104	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-56.4	-33.2	-172.7	-26.7	36.6	0	0	0	113.6	R97 K105 K231 T232	R97-P229 HydrophobicContact CB-CB 4.01Å; R97-P229 HydrophobicContact CB-CG 3.62Å; K105-P229 PolarHBondContact NZ-O 3.12Å; P229-K231 VanDerWaalsContact C-N 3.34Å; P229-K231 PolarHBondContact O-N 2.62Å; P229-T232 WeakPolarHBondContact CA-OG1 3.25Å; P229-T232 PolarHBondContact O-N 2.93Å; P229-T232 PolarHBondContact O-OG1 3.13Å
230	E	95.4	Very high	96.1	Very high	108 Å²	108	44.8 Å²	44.8	51%	0.505	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-68.2	-34.4	-178.5	-57.8	79.1	-157.2	0	0	112	R97 K219 N228	R97-E230 IonicContact NH1-OE1 2.68Å; R97-E230 PolarHBondContact NH1-OE1 3.46Å; K219-E230 IonicContact NZ-OE2 3.09Å; K219-E230 PolarHBondContact NZ-OE2 3.2Å; N228-E230 PolarHBondContact O-N 2.61Å; N228-E230 VanDerWaalsContact O-N 3.13Å; N228-E230 PolarHBondContact OD1-OE2 2.94Å
231	K	96.9	Very high	96.4	Very high	66 Å²	66	37.1 Å²	37.1	29%	0.287	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-101.9	8.5	178.7	-68.1	-154	178.1	-154.8	0	113.4	D143 R144 N228 P229 I233 F246	D143-K231 PolarHBondContact O-NZ 3.03Å; D143-K231 IonicContact OD1-NZ 3.29Å; D143-K231 PolarHBondContact OD1-NZ 2.9Å; D143-K231 WeakPolarHBondContact OD2-CE 3.37Å; D143-K231 IonicContact OD2-NZ 3.26Å; D143-K231 PolarHBondContact OD2-NZ 3Å; R144-K231 HydrophobicContact CG-CB 4.4Å; R144-K231 HydrophobicContact CG-CD 4.09Å; R144-K231 PolarHBondContact NE-O 3.26Å; N228-K231 CarbonylContact O-C 3.15Å; N228-K231 PolarHBondContact O-N 2.75Å; P229-K231 VanDerWaalsContact C-N 3.34Å; P229-K231 PolarHBondContact O-N 2.62Å; K231-I233 PolarHBondContact O-N 3.04Å; K231-F246 HydrophobicContact CB-CD1 4.12Å; K231-F246 HydrophobicContact CB-CE1 3.87Å; K231-F246 HydrophobicContact CD-CE1 4.47Å
232	T	98.2	Very high	96.6	Very high	12 Å²	12	35.1 Å²	35.1	7%	0.074	18%	0.183	C	C	.	.			trans	-56.6	129.3	-178.1	-59.4	0	0	0	0	111.7	V102 K105 N228 P229 I234 F246 G247	V102-T232 HydrophobicContact CG2-CG2 3.74Å; K105-T232 HydrophobicContact CD-CG2 4.32Å; K105-T232 WeakPolarHBondContact CD-O 3.47Å; N228-T232 PolarHBondContact O-N 3.38Å; N228-T232 VanDerWaalsContact O-N 3.08Å; N228-T232 PolarHBondContact O-OG1 3.1Å; P229-T232 WeakPolarHBondContact CA-OG1 3.25Å; P229-T232 PolarHBondContact O-N 2.93Å; P229-T232 PolarHBondContact O-OG1 3.13Å; T232-I234 HydrophobicContact CG2-CD1 3.76Å; T232-F246 WeakPolarHBondContact CA-O 3.41Å; T232-G247 PolarHBondContact OG1-O 2.89Å
233	I	98.5	Very high	96.8	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	136.8	172.3	-173.9	169.7	0	0	0	109.1	F107 M132 L137 E140 K231 S245 F246	F107-I233 HydrophobicContact CD2-CD1 4.16Å; F107-I233 HydrophobicContact CD2-CG1 3.92Å; F107-I233 HydrophobicContact CE2-CD1 4.33Å; F107-I233 HydrophobicContact CE2-CG1 4.11Å; M132-I233 HydrophobicContact CE-CD1 3.95Å; M132-I233 HydrophobicContact SD-CD1 4.2Å; L137-I233 HydrophobicContact CD1-CD1 4.38Å; E140-I233 HydrophobicContact CB-CD1 3.93Å; E140-I233 HydrophobicContact CG-CD1 4.28Å; K231-I233 PolarHBondContact O-N 3.04Å; I233-S245 WeakPolarHBondContact O-CA 3.5Å; I233-F246 HydrophobicContact CG2-CB 3.92Å; I233-F246 PolarHBondContact N-O 3.08Å; I233-F246 VanDerWaalsContact N-O 3.1Å; I233-F246 PolarHBondContact O-N 2.79Å
234	I	98.6	Very high	97.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	104.5	173.7	-56	88.2	0	0	0	107.3	V102 K105 T106 F107 T232 W244 N253	V102-I234 HydrophobicContact CG2-CD1 3.67Å; K105-I234 PolarHBondContact O-N 2.96Å; T106-I234 CarbonylContact C-O 3.59Å; T106-I234 VanDerWaalsContact CA-O 3.23Å; T106-I234 WeakPolarHBondContact CA-O 3.39Å; T106-I234 HydrophobicContact CG2-CB 4.31Å; T106-I234 HydrophobicContact CG2-CG2 4.35Å; F107-I234 PolarHBondContact N-O 2.95Å; T232-I234 HydrophobicContact CG2-CD1 3.76Å; I234-W244 CarbonylContact C-O 3.2Å; I234-W244 WeakPolarHBondContact CA-O 3.45Å; I234-N253 HydrophobicContact CD1-CB 4.19Å; I234-N253 HydrophobicContact CG1-CB 4.03Å
235	A	98.5	Very high	97.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	148	-176.1	0	0	0	0	0	112	F107 L137 W244	F107-A235 CarbonylContact O-C 3.31Å; F107-A235 WeakPolarHBondContact O-CA 3.36Å; L137-A235 HydrophobicContact CD1-CB 3.4Å; L137-A235 HydrophobicContact CD2-CB 4.14Å; L137-A235 HydrophobicContact CG-CB 4.45Å; A235-W244 HydrophobicContact CB-CB 4.36Å; A235-W244 PolarHBondContact N-O 3.03Å; A235-W244 PolarHBondContact O-N 3.12Å
236	H	98.7	Very high	97.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.8	-179.2	-50.7	77.1	0	0	0	108.8	F107 M108 S109 P238 C260 R264 I265	F107-H236 PolarHBondContact O-N 2.9Å; F107-H236 PolarHBondContact O-ND1 2.87Å; M108-H236 HydrophobicContact CE-CB 3.56Å; M108-H236 HydrophobicContact SD-CB 3.47Å; M108-H236 WeakPolarHBondContact SD-CB 3.27Å; S109-H236 PolarHBondContact N-O 2.84Å; H236-P238 WeakPolarHBondContact O-CD 3.3Å; H236-C260 WeakPolarHBondContact NE2-CA 3.34Å; H236-C260 VanDerWaalsContact NE2-CB 3.27Å; H236-C260 WeakPolarHBondContact NE2-CB 3.31Å; H236-C260 PolarHBondContact NE2-SG 2.74Å; H236-C260 VanDerWaalsContact NE2-SG 3.42Å; H236-R264 VanDerWaalsContact CE1-CD 3.47Å; H236-R264 WeakPolarHBondContact CE1-CD 3.47Å; H236-R264 PolarHBondContact CE1-NH1 3.16Å; H236-R264 WeakPolarHBondContact NE2-CD 3.26Å; H236-R264 PolarHBondContact NE2-NH1 3.34Å; H236-I265 HydrophobicContact CB-CD1 4.01Å
237	R	98.1	Very high	97.4	Very high	38 Å²	38	23.8 Å²	23.8	14%	0.143	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	87.7	174.8	-61	178	66.4	-151.9	9.4	108.2	L137 A239 Q240 R241 E242	L137-R237 HydrophobicContact CD2-CG 3.73Å; R237-A239 VanDerWaalsContact C-N 3.33Å; R237-A239 PolarHBondContact O-N 3.23Å; R237-Q240 HydrophobicContact CB-CB 4.28Å; R237-Q240 PolarHBondContact O-N 3.11Å; R237-R241 PolarHBondContact O-N 3.36Å; R237-E242 HydrophobicContact CB-CB 4.12Å; R237-E242 WeakPolarHBondContact CD-OE2 3.21Å; R237-E242 IonicContact CZ-OE2 2.72Å; R237-E242 PolarHBondContact N-O 3.13Å; R237-E242 IonicContact NE-OE2 3.69Å; R237-E242 IonicContact NH1-OE1 2.71Å; R237-E242 IonicContact NH1-OE2 3.94Å; R237-E242 PolarHBondContact NH1-OE2 2.97Å; R237-E242 PolarHBondContact O-N 2.79Å; R237-E242 VanDerWaalsContact O-N 3.15Å
238	P	96	Very high	97.5	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.026	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-32.7	-165.6	24.3	-32.2	0	0	0	113.3	M108 S109 T110 H236 R241 I265 N268	M108-P238 HydrophobicContact CE-CB 3.93Å; M108-P238 HydrophobicContact CE-CG 3.75Å; S109-P238 WeakPolarHBondContact O-CD 3.34Å; T110-P238 HydrophobicContact CG2-CG 3.66Å; H236-P238 WeakPolarHBondContact O-CD 3.3Å; P238-R241 WeakPolarHBondContact O-CD 3.44Å; P238-R241 PolarHBondContact O-N 2.95Å; P238-R241 PolarHBondContact O-NH1 3.49Å; P238-I265 HydrophobicContact CB-CD1 4.34Å; P238-N268 HydrophobicContact CB-CB 4.02Å
239	A	93.3	Very high	97.5	Very high	78 Å²	78	22.6 Å²	22.6	65%	0.645	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-38.7	177.4	0	0	0	0	0	112	R237 R241	R237-A239 VanDerWaalsContact C-N 3.33Å; R237-A239 PolarHBondContact O-N 3.23Å; A239-R241 VanDerWaalsContact C-N 3.29Å
240	Q	95.3	Very high	97.5	Very high	74 Å²	74	22 Å²	22	35%	0.346	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-2.6	178.3	-66.5	76.5	20.2	0	0	113.1	R206 R237 E242	R206-Q240 PolarHBondContact NH2-O 3.18Å; R237-Q240 HydrophobicContact CB-CB 4.28Å; R237-Q240 PolarHBondContact O-N 3.11Å; Q240-E242 VanDerWaalsContact C-N 3.26Å; Q240-E242 HydrophobicContact CB-CB 4.46Å; Q240-E242 HydrophobicContact CB-CG 4.24Å; Q240-E242 PolarHBondContact O-N 2.91Å
241	R	96.5	Very high	97.4	Very high	59 Å²	59	16.9 Å²	16.9	22%	0.223	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	45.9	-175.2	-52.3	-62.4	-178.5	-156	6.3	111.5	V205 R206 R237 P238 A239 I269 D272	V205-R241 WeakPolarHBondContact CA-O 3.32Å; V205-R241 WeakPolarHBondContact CG1-O 3.44Å; V205-R241 HydrophobicContact CG2-CB 4.27Å; R206-R241 PolarHBondContact N-O 3.09Å; R237-R241 PolarHBondContact O-N 3.36Å; P238-R241 WeakPolarHBondContact O-CD 3.44Å; P238-R241 PolarHBondContact O-N 2.95Å; P238-R241 PolarHBondContact O-NH1 3.49Å; A239-R241 VanDerWaalsContact C-N 3.29Å; R241-I269 VanDerWaalsContact NH1-CG1 3.32Å; R241-D272 IonicContact CZ-OD2 2.91Å; R241-D272 IonicContact NH1-OD2 3.57Å; R241-D272 IonicContact NH2-OD2 2.67Å; R241-D272 PolarHBondContact NH2-OD2 3.25Å
242	E	98.3	Very high	97.1	Very high	10 Å²	10	14 Å²	14	5%	0.047	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.4	-178.9	-81.5	170.6	-158.1	0	0	112.1	R206 R237 Q240 W244	R206-E242 HydrophobicContact CB-CG 3.69Å; R206-E242 IonicContact CZ-OE1 3.47Å; R206-E242 IonicContact NE-OE1 3.58Å; R206-E242 PolarHBondContact NE-OE1 2.99Å; R206-E242 IonicContact NH1-OE1 3.5Å; R206-E242 IonicContact NH2-OE1 3.56Å; R206-E242 PolarHBondContact NH2-OE1 3.46Å; R206-E242 CarbonylContact O-C 3.53Å; R206-E242 VanDerWaalsContact O-CA 3.29Å; R206-E242 WeakPolarHBondContact O-CA 3.2Å; R237-E242 HydrophobicContact CB-CB 4.12Å; R237-E242 WeakPolarHBondContact CD-OE2 3.21Å; R237-E242 IonicContact CZ-OE2 2.72Å; R237-E242 PolarHBondContact N-O 3.13Å; R237-E242 IonicContact NE-OE2 3.69Å; R237-E242 IonicContact NH1-OE1 2.71Å; R237-E242 IonicContact NH1-OE2 3.94Å; R237-E242 PolarHBondContact NH1-OE2 2.97Å; R237-E242 PolarHBondContact O-N 2.79Å; R237-E242 VanDerWaalsContact O-N 3.15Å; Q240-E242 VanDerWaalsContact C-N 3.26Å; Q240-E242 HydrophobicContact CB-CB 4.46Å; Q240-E242 HydrophobicContact CB-CG 4.24Å; Q240-E242 PolarHBondContact O-N 2.91Å; E242-W244 PolarHBondContact OE2-NE1 3.41Å
243	V	98.7	Very high	97.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.7	168.5	-178.7	0	0	0	0	107.9	V205 R206 I208 L256 C260 I265	V205-V243 HydrophobicContact CG1-CG2 4.38Å; R206-V243 PolarHBondContact O-N 3.31Å; I208-V243 WeakPolarHBondContact CD1-O 3.25Å; I208-V243 PolarHBondContact N-O 3.08Å; V243-L256 HydrophobicContact CB-CD1 4.35Å; V243-L256 HydrophobicContact CG1-CB 4.25Å; V243-L256 HydrophobicContact CG1-CD1 3.88Å; V243-L256 HydrophobicContact CG1-CD2 3.91Å; V243-L256 HydrophobicContact CG1-CG 4.24Å; V243-C260 HydrophobicContact CB-CB 4.43Å; V243-C260 HydrophobicContact CG1-CB 3.51Å; V243-C260 HydrophobicContact CG2-CB 4.02Å; V243-I265 HydrophobicContact CG2-CD1 4.43Å; V243-I265 HydrophobicContact CG2-CG1 3.73Å
244	W	98.7	Very high	97	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.6	176.4	-70.3	83	0	0	0	108.8	S5 L6 K48 L51 L141 F145 I208 I234 A235 E242	S5-W244 WeakPolarHBondContact O-CH2 3.08Å; S5-W244 WeakPolarHBondContact O-CZ2 3.4Å; L6-W244 HydrophobicContact CD2-CZ2 4.13Å; K48-W244 HydrophobicContact CD-CH2 4.01Å; L51-W244 HydrophobicContact CD2-CH2 4.04Å; L51-W244 HydrophobicContact CD2-CZ3 4.15Å; L141-W244 HydrophobicContact CD1-CD2 3.96Å; L141-W244 HydrophobicContact CD1-CE3 4.28Å; L141-W244 HydrophobicContact CD1-CG 4.2Å; L141-W244 HydrophobicContact CD2-CB 3.85Å; L141-W244 HydrophobicContact CD2-CD2 3.98Å; L141-W244 HydrophobicContact CD2-CE3 3.86Å; L141-W244 HydrophobicContact CD2-CG 4.01Å; F145-W244 HydrophobicContact CB-CZ3 4.45Å; F145-W244 HydrophobicContact CD1-CE3 4.12Å; F145-W244 AromaticContact CD1-CZ3 3.96Å; F145-W244 HydrophobicContact CD1-CZ3 3.96Å; F145-W244 AromaticContact CD2-CE3 3.83Å; F145-W244 HydrophobicContact CD2-CE3 3.83Å; F145-W244 AromaticContact CD2-CZ3 3.99Å; F145-W244 HydrophobicContact CD2-CZ3 3.99Å; F145-W244 AromaticContact CE1-CE3 3.93Å; F145-W244 HydrophobicContact CE1-CE3 3.93Å; F145-W244 HydrophobicContact CE1-CZ3 4.2Å; F145-W244 AromaticContact CE2-CE3 3.62Å; F145-W244 HydrophobicContact CE2-CE3 3.62Å; F145-W244 HydrophobicContact CE2-CZ3 4.24Å; F145-W244 HydrophobicContact CG-CE3 4.08Å; F145-W244 AromaticContact CG-CZ3 3.84Å; F145-W244 HydrophobicContact CG-CZ3 3.84Å; F145-W244 AromaticContact CZ-CE3 3.66Å; F145-W244 HydrophobicContact CZ-CE3 3.66Å; F145-W244 HydrophobicContact CZ-CZ3 4.33Å; I208-W244 HydrophobicContact CB-CD2 4.11Å; I208-W244 HydrophobicContact CB-CE3 3.83Å; I208-W244 HydrophobicContact CB-CZ3 4.15Å; I208-W244 HydrophobicContact CD1-CD2 4.04Å; I208-W244 HydrophobicContact CD1-CE3 4.49Å; I208-W244 HydrophobicContact CD1-CG 4.43Å; I208-W244 HydrophobicContact CD1-CZ2 4.05Å; I208-W244 HydrophobicContact CG1-CD2 4.23Å; I208-W244 HydrophobicContact CG1-CE3 4.18Å; I208-W244 HydrophobicContact CG1-CH2 4.22Å; I208-W244 HydrophobicContact CG1-CZ2 4.24Å; I208-W244 HydrophobicContact CG1-CZ3 4.19Å; I208-W244 HydrophobicContact CG2-CE3 3.83Å; I208-W244 HydrophobicContact CG2-CZ3 3.81Å; I208-W244 CarbonylContact O-C 3.54Å; I208-W244 WeakPolarHBondContact O-CA 3.16Å; I234-W244 CarbonylContact C-O 3.2Å; I234-W244 WeakPolarHBondContact CA-O 3.45Å; A235-W244 HydrophobicContact CB-CB 4.36Å; A235-W244 PolarHBondContact N-O 3.03Å; A235-W244 PolarHBondContact O-N 3.12Å; E242-W244 PolarHBondContact OE2-NE1 3.41Å
245	S	98.8	Very high	97	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.1	179.4	-174.5	0	0	0	0	110.9	I208 H209 S210 I233 N253	I208-S245 PolarHBondContact O-N 3.41Å; H209-S245 CarbonylContact C-O 3.59Å; H209-S245 VanDerWaalsContact CA-O 3.28Å; H209-S245 WeakPolarHBondContact CA-O 3.4Å; S210-S245 PolarHBondContact N-O 3.14Å; I233-S245 WeakPolarHBondContact O-CA 3.5Å; S245-N253 WeakPolarHBondContact CB-O 3.42Å; S245-N253 PolarHBondContact OG-O 3.45Å
246	F	98.8	Very high	97.1	Very high	6 Å²	6	13.4 Å²	13.4	3%	0.026	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.8	-177.2	-168.7	-91.1	0	0	0	111	R144 F145 C148 S210 K231 T232 I233 S248	R144-F246 HydrophobicContact CB-CD1 3.97Å; R144-F246 HydrophobicContact CB-CD2 3.81Å; R144-F246 HydrophobicContact CB-CE1 3.97Å; R144-F246 HydrophobicContact CB-CE2 3.79Å; R144-F246 HydrophobicContact CB-CG 3.88Å; R144-F246 HydrophobicContact CB-CZ 3.86Å; R144-F246 HydrophobicContact CG-CD1 3.82Å; R144-F246 HydrophobicContact CG-CE1 3.86Å; R144-F246 HydrophobicContact CG-CG 4.17Å; R144-F246 HydrophobicContact CG-CZ 4.23Å; R144-F246 WeakPolarHBondContact O-CE2 3.42Å; R144-F246 WeakPolarHBondContact O-CZ 3.47Å; F145-F246 HydrophobicContact CD1-CD2 4.36Å; F145-F246 HydrophobicContact CD2-CD2 4.36Å; F145-F246 HydrophobicContact CE1-CD2 4.1Å; F145-F246 HydrophobicContact CE2-CB 3.99Å; F145-F246 HydrophobicContact CE2-CD2 4.08Å; F145-F246 HydrophobicContact CE2-CG 4.43Å; F145-F246 HydrophobicContact CG-CD2 4.49Å; F145-F246 HydrophobicContact CZ-CB 3.89Å; F145-F246 AromaticContact CZ-CD2 3.96Å; F145-F246 HydrophobicContact CZ-CD2 3.96Å; F145-F246 HydrophobicContact CZ-CG 4.43Å; C148-F246 HydrophobicContact CB-CE2 3.64Å; C148-F246 HydrophobicContact CB-CZ 4.31Å; S210-F246 CarbonylContact O-C 3.58Å; S210-F246 VanDerWaalsContact O-CA 3.3Å; S210-F246 WeakPolarHBondContact O-CA 3.33Å; K231-F246 HydrophobicContact CB-CD1 4.12Å; K231-F246 HydrophobicContact CB-CE1 3.87Å; K231-F246 HydrophobicContact CD-CE1 4.47Å; T232-F246 WeakPolarHBondContact CA-O 3.41Å; I233-F246 HydrophobicContact CG2-CB 3.92Å; I233-F246 PolarHBondContact N-O 3.08Å; I233-F246 VanDerWaalsContact N-O 3.1Å; I233-F246 PolarHBondContact O-N 2.79Å; F246-S248 PolarHBondContact O-N 2.79Å
247	G	98.2	Very high	97	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	84.1	-2.3	164.1	0	0	0	0	0	116.4	S210 I211 C227 N228 T232	S210-G247 PolarHBondContact O-N 2.86Å; I211-G247 WeakPolarHBondContact O-CA 3.32Å; C227-G247 WeakPolarHBondContact CB-O 2.95Å; N228-G247 CarbonylContact C-O 3.44Å; N228-G247 PolarHBondContact N-O 3.34Å; T232-G247 PolarHBondContact OG1-O 2.89Å
248	S	98.3	Very high	97	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.			trans	-129.1	125.6	178.4	172.6	0	0	0	0	109.8	D98 H209 F246 Y250 N253	D98-S248 VanDerWaalsContact OD1-CB 3.28Å; D98-S248 WeakPolarHBondContact OD1-CB 3.44Å; D98-S248 PolarHBondContact OD1-OG 3.31Å; H209-S248 PolarHBondContact NE2-O 3.43Å; F246-S248 PolarHBondContact O-N 2.79Å; S248-Y250 PolarHBondContact OG-N 3.33Å; S248-N253 WeakPolarHBondContact OG-CB 3.35Å; S248-N253 PolarHBondContact OG-ND2 3.28Å
249	G	97.6	Very high	97	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.01	7%	0.069	C	C	.	.			trans	-89.6	-5.3	173.2	0	0	0	0	0	113.2	D98 W225 S254	D98-G249 PolarHBondContact OD2-N 3.26Å; W225-G249 WeakPolarHBondContact CZ2-O 3.33Å; G249-S254 WeakPolarHBondContact O-CB 3.23Å; G249-S254 PolarHBondContact O-OG 2.91Å
250	Y	97.1	Very high	97.3	Very high	3 Å²	3	8.5 Å²	8.5	1%	0.012	4%	0.039	C	C	.	.	S	Bend	trans	-83.3	123.3	-169	178.2	-89.9	0	0	0	113.1	D98 V99 A100 S248 G252 N253 S254 N419	D98-Y250 WeakPolarHBondContact OD1-CB 3.37Å; V99-Y250 VanDerWaalsContact O-CE2 3.25Å; V99-Y250 WeakPolarHBondContact O-CE2 3.43Å; V99-Y250 PolarHBondContact O-OH 2.88Å; A100-Y250 VanDerWaalsContact CA-CE1 3.47Å; S248-Y250 PolarHBondContact OG-N 3.33Å; Y250-G252 PolarHBondContact O-N 3.37Å; Y250-N253 WeakPolarHBondContact O-CB 3.39Å; Y250-N253 PolarHBondContact O-N 3.2Å; Y250-S254 VanDerWaalsContact C-OG 3.31Å; Y250-N419 PolarHBondContact OH-ND2 2.85Å; Y250-N419 PolarHBondContact OH-O 3.38Å
251	G	92.8	Very high	97.4	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	36.3	-112.6	157.9	0	0	0	0	0	115.4	N253 S254 L255	G251-N253 PolarHBondContact O-N 3.45Å; G251-S254 PolarHBondContact N-OG 3.46Å; G251-S254 PolarHBondContact O-N 3.05Å; G251-S254 PolarHBondContact O-OG 2.87Å; G251-L255 WeakPolarHBondContact O-CB 3.39Å; G251-L255 WeakPolarHBondContact O-CG 3.38Å; G251-L255 PolarHBondContact O-N 2.89Å
252	G	90.3	Very high	97.5	Very high	5 Å²	5	2.2 Å²	2.2	5%	0.052	1%	0.011	C	C	.	.	H	α-helix	trans	-63.8	-10	-174.3	0	0	0	0	0	116.3	Y250	Y250-G252 PolarHBondContact O-N 3.37Å
253	N	97.1	Very high	97.5	Very high	3 Å²	3	1.7 Å²	1.7	2%	0.016	1%	0.009	C	C	.	.	H	α-helix	trans	-94.7	-23.3	175.1	-53.3	-28	0	0	0	111.8	A100 I234 S245 S248 Y250 G251 L256	A100-N253 PolarHBondContact O-ND2 3.42Å; I234-N253 HydrophobicContact CD1-CB 4.19Å; I234-N253 HydrophobicContact CG1-CB 4.03Å; S245-N253 WeakPolarHBondContact CB-O 3.42Å; S245-N253 PolarHBondContact OG-O 3.45Å; S248-N253 WeakPolarHBondContact OG-CB 3.35Å; S248-N253 PolarHBondContact OG-ND2 3.28Å; Y250-N253 WeakPolarHBondContact O-CB 3.39Å; Y250-N253 PolarHBondContact O-N 3.2Å; G251-N253 PolarHBondContact O-N 3.45Å; N253-L256 VanDerWaalsContact O-CD2 3.26Å; N253-L256 WeakPolarHBondContact O-CD2 3.4Å
254	S	98.2	Very high	97.5	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-116.6	-29	-172.4	64.3	0	0	0	0	113.9	H209 G249 Y250 G251 L256	H209-S254 WeakPolarHBondContact NE2-CB 3.13Å; G249-S254 WeakPolarHBondContact O-CB 3.23Å; G249-S254 PolarHBondContact O-OG 2.91Å; Y250-S254 VanDerWaalsContact C-OG 3.31Å; G251-S254 PolarHBondContact N-OG 3.46Å; G251-S254 PolarHBondContact O-N 3.05Å; G251-S254 PolarHBondContact O-OG 2.87Å; S254-L256 VanDerWaalsContact C-N 3.32Å; S254-L256 PolarHBondContact O-N 3.2Å
255	L	98.5	Very high	97.5	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.011	C	C	.	.			trans	-82.3	78.9	172.7	-51.1	-177.3	0	0	0	108.7	V181 C184 M185 M188 G251 G257 K258	V181-L255 HydrophobicContact CG1-CD2 4.25Å; C184-L255 HydrophobicContact CB-CD1 3.94Å; C184-L255 HydrophobicContact CB-CD2 3.4Å; C184-L255 HydrophobicContact CB-CG 4.32Å; M185-L255 HydrophobicContact CG-CD2 4.03Å; M185-L255 HydrophobicContact SD-CB 4.02Å; M185-L255 HydrophobicContact SD-CD2 4.38Å; M188-L255 HydrophobicContact CG-CD1 4.21Å; G251-L255 WeakPolarHBondContact O-CB 3.39Å; G251-L255 WeakPolarHBondContact O-CG 3.38Å; G251-L255 PolarHBondContact O-N 2.89Å; L255-G257 PolarHBondContact O-N 3.38Å; L255-G257 VanDerWaalsContact O-N 3.14Å; L255-K258 PolarHBondContact O-N 2.93Å
256	L	98.7	Very high	97.5	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.011	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.5	-163.8	-58.4	-171.1	0	0	0	113.1	E174 C207 H209 V243 N253 S254 K258 F261	E174-L256 HydrophobicContact CG-CD1 4.28Å; E174-L256 HydrophobicContact CG-CG 4.44Å; E174-L256 WeakPolarHBondContact OE2-CB 3.46Å; E174-L256 PolarHBondContact OE2-N 3.06Å; C207-L256 HydrophobicContact CB-CB 3.86Å; C207-L256 HydrophobicContact CB-CD1 3.67Å; C207-L256 HydrophobicContact CB-CG 4.38Å; H209-L256 HydrophobicContact CB-CD1 3.86Å; H209-L256 HydrophobicContact CB-CG 4.4Å; V243-L256 HydrophobicContact CB-CD1 4.35Å; V243-L256 HydrophobicContact CG1-CB 4.25Å; V243-L256 HydrophobicContact CG1-CD1 3.88Å; V243-L256 HydrophobicContact CG1-CD2 3.91Å; V243-L256 HydrophobicContact CG1-CG 4.24Å; N253-L256 VanDerWaalsContact O-CD2 3.26Å; N253-L256 WeakPolarHBondContact O-CD2 3.4Å; S254-L256 VanDerWaalsContact C-N 3.32Å; S254-L256 PolarHBondContact O-N 3.2Å; L256-K258 VanDerWaalsContact C-N 3.31Å; L256-K258 PolarHBondContact O-N 2.5Å; L256-F261 WeakPolarHBondContact O-CB 3.49Å; L256-F261 PolarHBondContact O-N 3.33Å
257	G	97.3	Very high	97.4	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.011	C	C	.	.	I	π-helix	trans	-60.1	-34.5	169.9	0	0	0	0	0	114.3	M161 L255 A262	M161-G257 VanDerWaalsContact CE-O 3.32Å; M161-G257 WeakPolarHBondContact CE-O 3.4Å; L255-G257 PolarHBondContact O-N 3.38Å; L255-G257 VanDerWaalsContact O-N 3.14Å; G257-A262 VanDerWaalsContact O-CB 3.26Å; G257-A262 WeakPolarHBondContact O-CB 3.44Å; G257-A262 PolarHBondContact O-N 3.09Å
258	K	97.7	Very high	97.4	Very high	8 Å²	8	2.4 Å²	2.4	4%	0.035	1%	0.012	C	C	.	.	I	π-helix	trans	-75.6	-82.9	-168.8	-175.1	170	-177.3	69.2	0	113.5	M188 L255 L256 A262 D326 I327 E344 F348	M188-K258 HydrophobicContact CE-CD 4.28Å; L255-K258 PolarHBondContact O-N 2.93Å; L256-K258 VanDerWaalsContact C-N 3.31Å; L256-K258 PolarHBondContact O-N 2.5Å; K258-A262 WeakPolarHBondContact O-CB 3.4Å; K258-A262 PolarHBondContact O-N 2.79Å; K258-D326 WeakPolarHBondContact CE-OD2 3.49Å; K258-D326 IonicContact NZ-OD2 3.53Å; K258-D326 PolarHBondContact NZ-OD2 3.29Å; K258-I327 HydrophobicContact CG-CD1 4.13Å; K258-I327 WeakPolarHBondContact O-CD1 3.23Å; K258-E344 WeakPolarHBondContact CD-OE1 3.28Å; K258-E344 VanDerWaalsContact CG-OE1 3.28Å; K258-E344 WeakPolarHBondContact CG-OE1 3.32Å; K258-E344 IonicContact NZ-OE1 3.96Å; K258-E344 PolarHBondContact NZ-OE1 2.76Å; K258-E344 IonicContact NZ-OE2 2.94Å; K258-E344 PolarHBondContact NZ-OE2 2.79Å; K258-F348 HydrophobicContact CD-CB 4.28Å; K258-F348 HydrophobicContact CD-CD1 4.49Å
259	K	97	Very high	97.3	Very high	10 Å²	10	2.7 Å²	2.7	4%	0.043	1%	0.014	C	C	.	.	I	π-helix	trans	-86.2	-40.7	-173.6	-60.9	-54.7	-169.6	179	0	112.1	L263 R264 H279 D326 F501	K259-L263 HydrophobicContact CD-CD1 3.71Å; K259-L263 PolarHBondContact O-N 3.33Å; K259-R264 PolarHBondContact O-N 2.73Å; K259-H279 PolarHBondContact NZ-CD2 2.92Å; K259-H279 PolarHBondContact NZ-NE2 3.39Å; K259-D326 VanDerWaalsContact CE-OD2 3.27Å; K259-D326 WeakPolarHBondContact CE-OD2 3.41Å; K259-D326 IonicContact NZ-OD1 3.64Å; K259-D326 PolarHBondContact NZ-OD1 2.91Å; K259-D326 IonicContact NZ-OD2 2.78Å; K259-D326 PolarHBondContact NZ-OD2 3.1Å; K259-F501 HydrophobicContact CB-CD1 4.24Å; K259-F501 HydrophobicContact CB-CE1 4.13Å; K259-F501 HydrophobicContact CD-CD1 4.05Å; K259-F501 HydrophobicContact CD-CE1 3.52Å; K259-F501 HydrophobicContact CD-CZ 4.01Å; K259-F501 HydrophobicContact CG-CD1 4.38Å; K259-F501 HydrophobicContact CG-CE1 3.82Å
260	C	98.4	Very high	97.4	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	I	π-helix	trans	-67.6	-51.9	-176.9	-58.4	0	0	0	0	111.7	H236 V243 R264 I265	H236-C260 WeakPolarHBondContact NE2-CA 3.34Å; H236-C260 VanDerWaalsContact NE2-CB 3.27Å; H236-C260 WeakPolarHBondContact NE2-CB 3.31Å; H236-C260 PolarHBondContact NE2-SG 2.74Å; H236-C260 VanDerWaalsContact NE2-SG 3.42Å; V243-C260 HydrophobicContact CB-CB 4.43Å; V243-C260 HydrophobicContact CG1-CB 3.51Å; V243-C260 HydrophobicContact CG2-CB 4.02Å; C260-R264 WeakPolarHBondContact O-CB 3.08Å; C260-R264 PolarHBondContact O-N 2.88Å; C260-R264 PolarHBondContact SG-NH1 2.8Å; C260-I265 WeakPolarHBondContact O-CG1 3.4Å; C260-I265 PolarHBondContact O-N 3.03Å
261	F	98.5	Very high	97.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.028	C	C	.	.	I	π-helix	trans	-78.4	-68.2	175.2	-175.8	-177	0	0	0	111	F159 M161 K170 V205 L256 L263 I265 A266 I269 W329	F159-F261 AromaticContact CE2-CD1 3.7Å; F159-F261 HydrophobicContact CE2-CD1 3.7Å; F159-F261 HydrophobicContact CE2-CE1 4.03Å; F159-F261 AromaticContact CZ-CD1 3.87Å; F159-F261 HydrophobicContact CZ-CD1 3.87Å; F159-F261 HydrophobicContact CZ-CE1 4.33Å; M161-F261 HydrophobicContact CB-CE1 4.46Å; M161-F261 HydrophobicContact CG-CD1 3.74Å; M161-F261 HydrophobicContact CG-CE1 3.77Å; M161-F261 HydrophobicContact CG-CG 4.43Å; M161-F261 HydrophobicContact CG-CZ 4.47Å; K170-F261 HydrophobicContact CB-CE1 4.44Å; K170-F261 HydrophobicContact CB-CE2 4.01Å; K170-F261 HydrophobicContact CB-CZ 3.44Å; K170-F261 VanDerWaalsContact CB-CZ 3.44Å; K170-F261 HydrophobicContact CG-CZ 4.48Å; V205-F261 HydrophobicContact CB-CD1 4.01Å; V205-F261 HydrophobicContact CB-CD2 4.35Å; V205-F261 HydrophobicContact CB-CE1 3.72Å; V205-F261 HydrophobicContact CB-CE2 4.11Å; V205-F261 HydrophobicContact CB-CG 4.32Å; V205-F261 HydrophobicContact CB-CZ 3.76Å; V205-F261 HydrophobicContact CG1-CD1 4.13Å; V205-F261 HydrophobicContact CG1-CD2 4.22Å; V205-F261 HydrophobicContact CG1-CE1 4.34Å; V205-F261 HydrophobicContact CG1-CE2 4.46Å; V205-F261 HydrophobicContact CG1-CG 4.07Å; V205-F261 HydrophobicContact CG1-CZ 4.48Å; V205-F261 HydrophobicContact CG2-CD1 4.27Å; V205-F261 HydrophobicContact CG2-CD2 3.87Å; V205-F261 HydrophobicContact CG2-CE1 3.74Å; V205-F261 HydrophobicContact CG2-CE2 3.31Å; V205-F261 HydrophobicContact CG2-CG 4.34Å; V205-F261 HydrophobicContact CG2-CZ 3.19Å; L256-F261 WeakPolarHBondContact O-CB 3.49Å; L256-F261 PolarHBondContact O-N 3.33Å; F261-L263 PolarHBondContact O-N 3.33Å; F261-I265 HydrophobicContact CD2-CB 4.16Å; F261-I265 HydrophobicContact CD2-CG2 4.16Å; F261-I265 HydrophobicContact CE2-CG2 4.49Å; F261-I265 PolarHBondContact O-N 2.94Å; F261-A266 WeakPolarHBondContact O-CB 3.46Å; F261-A266 PolarHBondContact O-N 3.17Å; F261-I269 HydrophobicContact CE2-CD1 4.15Å; F261-W329 HydrophobicContact CE2-CH2 4.42Å
262	A	98.3	Very high	97.5	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	I	π-helix	trans	-70.6	-3.9	-164	0	0	0	0	0	117	M161 G257 K258 A266 I327 W329 P343	M161-A262 HydrophobicContact CE-CB 3.78Å; G257-A262 VanDerWaalsContact O-CB 3.26Å; G257-A262 WeakPolarHBondContact O-CB 3.44Å; G257-A262 PolarHBondContact O-N 3.09Å; K258-A262 WeakPolarHBondContact O-CB 3.4Å; K258-A262 PolarHBondContact O-N 2.79Å; A262-A266 VanDerWaalsContact C-CB 3.5Å; A262-A266 WeakPolarHBondContact O-CB 3.38Å; A262-I327 HydrophobicContact CB-CD1 3.87Å; A262-I327 HydrophobicContact CB-CG2 4.21Å; A262-W329 HydrophobicContact CB-CZ2 3.72Å; A262-W329 PolarHBondContact O-NE1 3.33Å; A262-P343 HydrophobicContact CB-CB 4.48Å; A262-P343 HydrophobicContact CB-CG 4.19Å
263	L	98.6	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.065	C	C	.	.	I	π-helix	trans	-118.4	-57.6	164.8	-61.3	175.7	0	0	0	112.9	K259 F261 S267 E278 H279 I327 M498 F501	K259-L263 HydrophobicContact CD-CD1 3.71Å; K259-L263 PolarHBondContact O-N 3.33Å; F261-L263 PolarHBondContact O-N 3.33Å; L263-S267 WeakPolarHBondContact O-CB 3.49Å; L263-S267 PolarHBondContact O-N 3.41Å; L263-S267 PolarHBondContact O-OG 2.68Å; L263-E278 VanDerWaalsContact CD2-C 3.42Å; L263-H279 HydrophobicContact CD1-CB 4.08Å; L263-H279 HydrophobicContact CD2-CB 4.36Å; L263-I327 HydrophobicContact CD2-CG1 4.33Å; L263-I327 HydrophobicContact CD2-CG2 3.86Å; L263-I327 HydrophobicContact CG-CD1 4.25Å; L263-I327 HydrophobicContact CG-CG1 4.36Å; L263-I327 HydrophobicContact CG-CG2 4.49Å; L263-M498 HydrophobicContact CD2-SD 4.18Å; L263-F501 HydrophobicContact CB-CB 3.91Å; L263-F501 HydrophobicContact CB-CG 4.49Å; L263-F501 HydrophobicContact CD1-CB 3.76Å; L263-F501 HydrophobicContact CD1-CD1 3.79Å; L263-F501 HydrophobicContact CD1-CD2 3.78Å; L263-F501 HydrophobicContact CD1-CE1 4.3Å; L263-F501 HydrophobicContact CD1-CE2 4.32Å; L263-F501 HydrophobicContact CD1-CG 3.5Å; L263-F501 VanDerWaalsContact CD1-CG 3.5Å; L263-F501 HydrophobicContact CG-CB 4.47Å
264	R	98.3	Very high	97.8	Very high	11 Å²	11	15.7 Å²	15.7	4%	0.042	8%	0.083	C	C	.	.	I	π-helix	trans	-72.4	-52.1	-170.4	-57.6	-169.9	-167.3	96.9	2.1	113.6	M108 H236 K259 C260 S267 N268 P500 F501 G503	M108-R264 HydrophobicContact SD-CB 3.99Å; H236-R264 VanDerWaalsContact CE1-CD 3.47Å; H236-R264 WeakPolarHBondContact CE1-CD 3.47Å; H236-R264 PolarHBondContact CE1-NH1 3.16Å; H236-R264 WeakPolarHBondContact NE2-CD 3.26Å; H236-R264 PolarHBondContact NE2-NH1 3.34Å; K259-R264 PolarHBondContact O-N 2.73Å; C260-R264 WeakPolarHBondContact O-CB 3.08Å; C260-R264 PolarHBondContact O-N 2.88Å; C260-R264 PolarHBondContact SG-NH1 2.8Å; R264-S267 PolarHBondContact O-OG 3.23Å; R264-S267 VanDerWaalsContact O-OG 3.09Å; R264-N268 PolarHBondContact O-ND2 3.08Å; R264-P500 PolarHBondContact NE-O 3.46Å; R264-P500 PolarHBondContact NH2-O 3.03Å; R264-F501 WeakPolarHBondContact CG-O 3.16Å; R264-G503 WeakPolarHBondContact O-CA 3.38Å
265	I	98.4	Very high	97.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	I	π-helix	trans	-70.7	-43.5	175	-62.5	-64.9	0	0	0	110.1	V205 H236 P238 V243 C260 F261 S267 N268 I269	V205-I265 HydrophobicContact CG1-CG2 4.38Å; V205-I265 HydrophobicContact CG2-CG2 4.22Å; H236-I265 HydrophobicContact CB-CD1 4.01Å; P238-I265 HydrophobicContact CB-CD1 4.34Å; V243-I265 HydrophobicContact CG2-CD1 4.43Å; V243-I265 HydrophobicContact CG2-CG1 3.73Å; C260-I265 WeakPolarHBondContact O-CG1 3.4Å; C260-I265 PolarHBondContact O-N 3.03Å; F261-I265 HydrophobicContact CD2-CB 4.16Å; F261-I265 HydrophobicContact CD2-CG2 4.16Å; F261-I265 HydrophobicContact CE2-CG2 4.49Å; F261-I265 PolarHBondContact O-N 2.94Å; I265-S267 PolarHBondContact O-N 3.36Å; I265-N268 WeakPolarHBondContact O-CB 3.42Å; I265-N268 PolarHBondContact O-N 3.04Å; I265-N268 VanDerWaalsContact O-N 3.14Å; I265-I269 HydrophobicContact CG2-CD1 3.87Å; I265-I269 HydrophobicContact CG2-CG1 4.34Å; I265-I269 WeakPolarHBondContact O-CG1 3.22Å; I265-I269 PolarHBondContact O-N 3.23Å
266	A	98.5	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61	-40.9	-178.9	0	0	0	0	0	112.5	F261 A262 N268 I269 A270 W275 A277 W329	F261-A266 WeakPolarHBondContact O-CB 3.46Å; F261-A266 PolarHBondContact O-N 3.17Å; A262-A266 VanDerWaalsContact C-CB 3.5Å; A262-A266 WeakPolarHBondContact O-CB 3.38Å; A266-N268 VanDerWaalsContact C-N 3.27Å; A266-N268 PolarHBondContact O-N 2.87Å; A266-I269 CarbonylContact O-C 3.59Å; A266-I269 WeakPolarHBondContact O-CB 3.03Å; A266-I269 PolarHBondContact O-N 2.67Å; A266-I269 VanDerWaalsContact O-N 3.1Å; A266-A270 WeakPolarHBondContact O-CB 3.35Å; A266-A270 PolarHBondContact O-N 2.89Å; A266-W275 HydrophobicContact CB-CH2 4.05Å; A266-A277 HydrophobicContact CB-CB 3.73Å; A266-W329 HydrophobicContact CB-CZ2 3.75Å
267	S	98.3	Very high	97.8	Very high	2 Å²	2	16 Å²	16	1%	0.014	9%	0.085	C	C	.	.	H	α-helix	trans	-63.6	-31.2	177.2	59.2	0	0	0	0	112.8	L263 R264 I265 R271 G503 Y504	L263-S267 WeakPolarHBondContact O-CB 3.49Å; L263-S267 PolarHBondContact O-N 3.41Å; L263-S267 PolarHBondContact O-OG 2.68Å; R264-S267 PolarHBondContact O-OG 3.23Å; R264-S267 VanDerWaalsContact O-OG 3.09Å; I265-S267 PolarHBondContact O-N 3.36Å; S267-R271 WeakPolarHBondContact O-CB 3.5Å; S267-R271 PolarHBondContact O-N 2.92Å; S267-G503 WeakPolarHBondContact OG-CA 3.4Å; S267-G503 PolarHBondContact OG-N 3.01Å; S267-Y504 VanDerWaalsContact O-CE1 3.23Å; S267-Y504 WeakPolarHBondContact O-CE1 3.42Å
268	N	97.4	Very high	97.8	Very high	7 Å²	7	16.2 Å²	16.2	4%	0.037	9%	0.085	C	C	.	.	H	α-helix	trans	-67.8	-48.2	169.8	-79.2	-93.2	0	0	0	111.4	P238 R264 I265 A266 A270 R271 D272 G503	P238-N268 HydrophobicContact CB-CB 4.02Å; R264-N268 PolarHBondContact O-ND2 3.08Å; I265-N268 WeakPolarHBondContact O-CB 3.42Å; I265-N268 PolarHBondContact O-N 3.04Å; I265-N268 VanDerWaalsContact O-N 3.14Å; A266-N268 VanDerWaalsContact C-N 3.27Å; A266-N268 PolarHBondContact O-N 2.87Å; N268-A270 PolarHBondContact O-N 2.89Å; N268-R271 WeakPolarHBondContact O-CB 3.46Å; N268-R271 PolarHBondContact O-N 3.42Å; N268-R271 PolarHBondContact OD1-NH1 2.9Å; N268-D272 PolarHBondContact O-N 2.93Å; N268-G503 WeakPolarHBondContact ND2-CA 3.31Å; N268-G503 PolarHBondContact ND2-O 2.91Å
269	I	97.2	Very high	97.9	Very high	6 Å²	6	15.8 Å²	15.8	3%	0.031	8%	0.084	C	C	.	.	H	α-helix	trans	-57	-43.8	176	-60.6	168	0	0	0	110.1	R241 F261 I265 A266 R271 D272 E273 W275	R241-I269 VanDerWaalsContact NH1-CG1 3.32Å; F261-I269 HydrophobicContact CE2-CD1 4.15Å; I265-I269 HydrophobicContact CG2-CD1 3.87Å; I265-I269 HydrophobicContact CG2-CG1 4.34Å; I265-I269 WeakPolarHBondContact O-CG1 3.22Å; I265-I269 PolarHBondContact O-N 3.23Å; A266-I269 CarbonylContact O-C 3.59Å; A266-I269 WeakPolarHBondContact O-CB 3.03Å; A266-I269 PolarHBondContact O-N 2.67Å; A266-I269 VanDerWaalsContact O-N 3.1Å; I269-R271 PolarHBondContact O-N 2.8Å; I269-D272 PolarHBondContact O-N 2.82Å; I269-D272 VanDerWaalsContact O-N 3.16Å; I269-E273 HydrophobicContact CG2-CG 4.14Å; I269-E273 WeakPolarHBondContact CG2-OE1 3.28Å; I269-E273 WeakPolarHBondContact CG2-OE2 3.46Å; I269-E273 WeakPolarHBondContact O-CB 3.21Å; I269-E273 WeakPolarHBondContact O-CG 3.36Å; I269-E273 PolarHBondContact O-N 3.49Å; I269-W275 HydrophobicContact CB-CZ2 3.95Å; I269-W275 HydrophobicContact CG2-CZ2 3.66Å
270	A	98	Very high	98	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-62.8	-42.2	-179	0	0	0	0	0	112.2	A266 N268 G274 W275 A277 H512	A266-A270 WeakPolarHBondContact O-CB 3.35Å; A266-A270 PolarHBondContact O-N 2.89Å; N268-A270 PolarHBondContact O-N 2.89Å; A270-G274 PolarHBondContact O-N 2.99Å; A270-W275 CarbonylContact C-O 3.48Å; A270-W275 VanDerWaalsContact C-O 3.31Å; A270-W275 HydrophobicContact CB-CD2 3.46Å; A270-W275 VanDerWaalsContact CB-CD2 3.46Å; A270-W275 HydrophobicContact CB-CE3 3.5Å; A270-W275 HydrophobicContact CB-CG 4.05Å; A270-W275 HydrophobicContact CB-CH2 3.94Å; A270-W275 HydrophobicContact CB-CZ2 3.91Å; A270-W275 HydrophobicContact CB-CZ3 3.74Å; A270-W275 VanDerWaalsContact CB-O 3.24Å; A270-W275 WeakPolarHBondContact CB-O 3.28Å; A270-W275 PolarHBondContact O-N 2.97Å; A270-A277 HydrophobicContact CB-CB 4.17Å; A270-H512 PolarHBondContact O-NE2 3.33Å
271	R	97.1	Very high	98	Very high	81 Å²	81	15.3 Å²	15.3	31%	0.306	8%	0.082	S	C	.	.	H	α-helix	trans	-58	-49.8	170.3	-176.1	-161.3	64.9	-147.9	-3.7	111.5	S267 N268 I269 E273 Y504	S267-R271 WeakPolarHBondContact O-CB 3.5Å; S267-R271 PolarHBondContact O-N 2.92Å; N268-R271 WeakPolarHBondContact O-CB 3.46Å; N268-R271 PolarHBondContact O-N 3.42Å; N268-R271 PolarHBondContact OD1-NH1 2.9Å; I269-R271 PolarHBondContact O-N 2.8Å; R271-E273 VanDerWaalsContact C-N 3.32Å; R271-E273 PolarHBondContact O-N 2.78Å; R271-Y504 HydrophobicContact CB-CE1 4.06Å; R271-Y504 HydrophobicContact CB-CE2 4.35Å; R271-Y504 HydrophobicContact CG-CE2 4.09Å
272	D	96	Very high	98	Very high	87 Å²	87	15.3 Å²	15.3	47%	0.465	8%	0.082	S	C	.	.	H	α-helix	trans	-68	-31.9	-174.7	-56.8	-24.5	0	0	0	112.2	R241 N268 I269	R241-D272 IonicContact CZ-OD2 2.91Å; R241-D272 IonicContact NH1-OD2 3.57Å; R241-D272 IonicContact NH2-OD2 2.67Å; R241-D272 PolarHBondContact NH2-OD2 3.25Å; N268-D272 PolarHBondContact O-N 2.93Å; I269-D272 PolarHBondContact O-N 2.82Å; I269-D272 VanDerWaalsContact O-N 3.16Å
273	E	96.1	Very high	98	Very high	79 Å²	79	15.3 Å²	15.3	37%	0.369	8%	0.082	S	C	.	.	H	α-helix	trans	-105.8	-0.2	-173.4	-66.2	176.4	-173	0	0	114.3	K170 I269 R271 W275	K170-E273 IonicContact NZ-OE1 3.31Å; K170-E273 PolarHBondContact NZ-OE1 2.93Å; K170-E273 IonicContact NZ-OE2 3.31Å; K170-E273 PolarHBondContact NZ-OE2 3.46Å; I269-E273 HydrophobicContact CG2-CG 4.14Å; I269-E273 WeakPolarHBondContact CG2-OE1 3.28Å; I269-E273 WeakPolarHBondContact CG2-OE2 3.46Å; I269-E273 WeakPolarHBondContact O-CB 3.21Å; I269-E273 WeakPolarHBondContact O-CG 3.36Å; I269-E273 PolarHBondContact O-N 3.49Å; R271-E273 VanDerWaalsContact C-N 3.32Å; R271-E273 PolarHBondContact O-N 2.78Å; E273-W275 VanDerWaalsContact CB-CD1 3.44Å; E273-W275 PolarHBondContact OE2-NE1 2.95Å
274	G	96.6	Very high	98	Very high	38 Å²	38	15.3 Å²	15.3	39%	0.392	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	36.9	175.7	0	0	0	0	0	115.8	A270	A270-G274 PolarHBondContact O-N 2.99Å
275	W	97.9	Very high	98	Very high	3 Å²	3	14.8 Å²	14.8	1%	0.011	8%	0.08	C	C	.	.			trans	-133.5	-176.4	175	59.7	-88.3	0	0	0	111.3	A266 I269 A270 E273 A277 W329 M330 R331 H512	A266-W275 HydrophobicContact CB-CH2 4.05Å; I269-W275 HydrophobicContact CB-CZ2 3.95Å; I269-W275 HydrophobicContact CG2-CZ2 3.66Å; A270-W275 CarbonylContact C-O 3.48Å; A270-W275 VanDerWaalsContact C-O 3.31Å; A270-W275 HydrophobicContact CB-CD2 3.46Å; A270-W275 VanDerWaalsContact CB-CD2 3.46Å; A270-W275 HydrophobicContact CB-CE3 3.5Å; A270-W275 HydrophobicContact CB-CG 4.05Å; A270-W275 HydrophobicContact CB-CH2 3.94Å; A270-W275 HydrophobicContact CB-CZ2 3.91Å; A270-W275 HydrophobicContact CB-CZ3 3.74Å; A270-W275 VanDerWaalsContact CB-O 3.24Å; A270-W275 WeakPolarHBondContact CB-O 3.28Å; A270-W275 PolarHBondContact O-N 2.97Å; E273-W275 VanDerWaalsContact CB-CD1 3.44Å; E273-W275 PolarHBondContact OE2-NE1 2.95Å; W275-A277 HydrophobicContact CE3-CB 4.46Å; W275-A277 HydrophobicContact CH2-CB 4.2Å; W275-A277 HydrophobicContact CZ3-CB 3.66Å; W275-W329 HydrophobicContact CE3-CB 4.26Å; W275-W329 HydrophobicContact CE3-CG 4.41Å; W275-W329 AromaticContact CH2-CD2 3.93Å; W275-W329 HydrophobicContact CH2-CD2 3.93Å; W275-W329 HydrophobicContact CH2-CE3 4.3Å; W275-W329 HydrophobicContact CH2-CG 4.15Å; W275-W329 HydrophobicContact CZ3-CB 3.83Å; W275-W329 AromaticContact CZ3-CD1 3.74Å; W275-W329 AromaticContact CZ3-CD2 3.8Å; W275-W329 HydrophobicContact CZ3-CD2 3.8Å; W275-W329 HydrophobicContact CZ3-CE3 4.42Å; W275-W329 AromaticContact CZ3-CG 3.52Å; W275-W329 HydrophobicContact CZ3-CG 3.52Å; W275-M330 WeakPolarHBondContact CB-O 3.45Å; W275-R331 HydrophobicContact CB-CB 3.88Å; W275-R331 HydrophobicContact CB-CG 4.05Å; W275-H512 PolarHBondContact O-NE2 3.45Å
276	L	98.6	Very high	98	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.016	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.1	-175.7	-64	174	0	0	0	111.7	E278 W329 M330 W513 V516	L276-E278 HydrophobicContact CB-CG 4.03Å; L276-W329 CarbonylContact O-C 3.53Å; L276-W329 WeakPolarHBondContact O-CA 3.42Å; L276-M330 HydrophobicContact CB-CB 4.31Å; L276-M330 HydrophobicContact CB-CE 4.04Å; L276-M330 HydrophobicContact CD1-CE 4.06Å; L276-M330 PolarHBondContact N-O 2.96Å; L276-M330 PolarHBondContact O-N 2.88Å; L276-W513 HydrophobicContact CD1-CD2 4.23Å; L276-W513 HydrophobicContact CD1-CE3 4.34Å; L276-W513 HydrophobicContact CD1-CH2 4.12Å; L276-W513 HydrophobicContact CD1-CZ2 4.01Å; L276-W513 HydrophobicContact CD1-CZ3 4.29Å; L276-W513 HydrophobicContact CD2-CD2 4.27Å; L276-W513 HydrophobicContact CD2-CG 4.26Å; L276-V516 HydrophobicContact CD1-CG2 4.09Å; L276-V516 HydrophobicContact CD2-CG2 3.96Å; L276-V516 HydrophobicContact CG-CG2 4.11Å
277	A	98.8	Very high	98	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.008	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	106.4	175.2	0	0	0	0	0	109.4	A266 A270 W275	A266-A277 HydrophobicContact CB-CB 3.73Å; A270-A277 HydrophobicContact CB-CB 4.17Å; W275-A277 HydrophobicContact CE3-CB 4.46Å; W275-A277 HydrophobicContact CH2-CB 4.2Å; W275-A277 HydrophobicContact CZ3-CB 3.66Å
278	E	98.8	Very high	97.9	Very high	3 Å²	3	20.8 Å²	20.8	1%	0.014	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.7	-161.5	-55.6	-57.4	160.3	0	0	113.1	L263 L276 M280 I327 A328 M330 Y509 W513	L263-E278 VanDerWaalsContact CD2-C 3.42Å; L276-E278 HydrophobicContact CB-CG 4.03Å; E278-M280 HydrophobicContact CB-CB 4.4Å; E278-M280 HydrophobicContact CB-CE 4.17Å; E278-M280 HydrophobicContact CB-CG 3.81Å; E278-M280 HydrophobicContact CB-SD 3.86Å; E278-M280 HydrophobicContact CG-CE 4.39Å; E278-M280 HydrophobicContact CG-SD 4.37Å; E278-M280 PolarHBondContact O-N 2.87Å; E278-I327 WeakPolarHBondContact O-CA 3.3Å; E278-A328 PolarHBondContact N-O 3.26Å; E278-A328 PolarHBondContact O-N 3.01Å; E278-M330 HydrophobicContact CB-CE 4.04Å; E278-M330 HydrophobicContact CG-CE 3.46Å; E278-M330 VanDerWaalsContact CG-CE 3.46Å; E278-Y509 VanDerWaalsContact CD-OH 3.23Å; E278-Y509 PolarHBondContact OE1-OH 2.54Å; E278-Y509 PolarHBondContact OE2-OH 2.84Å; E278-W513 HydrophobicContact CG-CZ2 3.79Å; E278-W513 PolarHBondContact OE1-NE1 3.3Å
279	H	98.7	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-78.6	63.6	174.6	-179	-144.7	0	0	0	111	K259 L263 K305 D326 A497 M498 F501	K259-H279 PolarHBondContact NZ-CD2 2.92Å; K259-H279 PolarHBondContact NZ-NE2 3.39Å; L263-H279 HydrophobicContact CD1-CB 4.08Å; L263-H279 HydrophobicContact CD2-CB 4.36Å; H279-K305 PolarHBondContact CE1-NZ 2.88Å; H279-K305 WeakPolarHBondContact NE2-CE 3.45Å; H279-K305 PolarHBondContact NE2-NZ 3.4Å; H279-D326 CarbonylContact C-O 3.58Å; H279-D326 VanDerWaalsContact C-O 3.31Å; H279-D326 WeakPolarHBondContact CA-O 3.13Å; H279-D326 PolarHBondContact CD2-O 3.04Å; H279-D326 VanDerWaalsContact CD2-O 3.26Å; H279-D326 IonicContact CD2-OD1 3.24Å; H279-D326 PolarHBondContact CD2-OD1 3.02Å; H279-D326 VanDerWaalsContact CD2-OD1 3.26Å; H279-D326 IonicContact NE2-OD1 3.04Å; H279-D326 PolarHBondContact NE2-OD1 2.85Å; H279-D326 VanDerWaalsContact NE2-OD1 3.12Å; H279-A497 PolarHBondContact ND1-O 3.37Å; H279-M498 HydrophobicContact CB-SD 3.76Å; H279-F501 HydrophobicContact CB-CD2 4.21Å; H279-F501 HydrophobicContact CB-CE2 4.44Å; H279-F501 AromaticContact CE1-CE2 3.46Å; H279-F501 VanDerWaalsContact CE1-CE2 3.46Å; H279-F501 WeakPolarHBondContact CE1-CE2 3.32Å; H279-F501 AromaticContact CG-CE2 3.8Å; H279-F501 AromaticContact ND1-CD2 3.93Å; H279-F501 AromaticContact ND1-CE2 3.43Å; H279-F501 WeakPolarHBondContact ND1-CE2 3.48Å; H279-F501 AromaticContact NE2-CE2 3.84Å
280	M	98.8	Very high	97.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	18%	0.18	C	C	.	.			trans	-122.7	141.6	-174	-68.2	-179.5	177.4	0	0	112.1	E278 A296 A297 A298 D326 I327 A328 M330 I447 F449 W513	E278-M280 HydrophobicContact CB-CB 4.4Å; E278-M280 HydrophobicContact CB-CE 4.17Å; E278-M280 HydrophobicContact CB-CG 3.81Å; E278-M280 HydrophobicContact CB-SD 3.86Å; E278-M280 HydrophobicContact CG-CE 4.39Å; E278-M280 HydrophobicContact CG-SD 4.37Å; E278-M280 PolarHBondContact O-N 2.87Å; M280-A296 HydrophobicContact CB-CB 4.38Å; M280-A296 HydrophobicContact SD-CB 3.93Å; M280-A297 VanDerWaalsContact CA-O 3.23Å; M280-A297 WeakPolarHBondContact CA-O 3.25Å; M280-A298 HydrophobicContact CE-CB 3.7Å; M280-A298 HydrophobicContact CG-CB 3.64Å; M280-A298 HydrophobicContact SD-CB 4.5Å; M280-D326 PolarHBondContact N-O 3.13Å; M280-D326 CarbonylContact O-C 3.6Å; M280-I327 CarbonylContact O-C 3.44Å; M280-I327 WeakPolarHBondContact O-CA 3.13Å; M280-I327 PolarHBondContact O-N 2.88Å; M280-I327 VanDerWaalsContact O-N 3.1Å; M280-A328 HydrophobicContact CB-CB 3.83Å; M280-A328 PolarHBondContact O-N 2.87Å; M280-M330 HydrophobicContact CE-CE 4.49Å; M280-M330 HydrophobicContact SD-CE 3.73Å; M280-M330 HydrophobicContact SD-SD 4.25Å; M280-I447 HydrophobicContact CE-CG2 3.83Å; M280-I447 HydrophobicContact SD-CG2 4.44Å; M280-F449 HydrophobicContact CE-CE1 3.98Å; M280-F449 HydrophobicContact CE-CZ 4.18Å; M280-W513 HydrophobicContact CE-CH2 3.83Å; M280-W513 HydrophobicContact CE-CZ2 4.06Å
281	L	98.7	Very high	97.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	162.9	157.9	69.9	90.3	0	0	0	110.3	A296 A297 F299 K305 M308 A309 G324	L281-A296 WeakPolarHBondContact O-CA 3.17Å; L281-A297 HydrophobicContact CD1-CB 4.1Å; L281-A297 HydrophobicContact CD2-CB 3.84Å; L281-A297 HydrophobicContact CG-CB 3.78Å; L281-A297 PolarHBondContact N-O 3.3Å; L281-A297 PolarHBondContact O-N 2.8Å; L281-A297 VanDerWaalsContact O-N 3.12Å; L281-F299 HydrophobicContact CD2-CE2 4.34Å; L281-K305 HydrophobicContact CB-CB 4.35Å; L281-K305 HydrophobicContact CD2-CB 3.92Å; L281-K305 HydrophobicContact CD2-CG 4.23Å; L281-K305 VanDerWaalsContact CD2-O 3.28Å; L281-K305 WeakPolarHBondContact CD2-O 3.46Å; L281-M308 HydrophobicContact CD2-CB 3.81Å; L281-M308 HydrophobicContact CD2-CG 4Å; L281-M308 HydrophobicContact CD2-SD 4.27Å; L281-A309 HydrophobicContact CB-CB 3.99Å; L281-A309 HydrophobicContact CD1-CB 4.49Å; L281-A309 HydrophobicContact CD2-CB 4.42Å; L281-G324 CarbonylContact C-O 3.58Å; L281-G324 WeakPolarHBondContact CA-O 3.46Å; L281-G324 WeakPolarHBondContact CB-O 3.33Å
282	I	98.9	Very high	97.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.9	167.6	-52	162.8	0	0	0	107.9	V323 G324 A328 A340 I341 V442 I444	I282-V323 HydrophobicContact CB-CB 3.86Å; I282-V323 HydrophobicContact CB-CG1 4.01Å; I282-V323 HydrophobicContact CD1-CG1 4.22Å; I282-V323 HydrophobicContact CG2-CB 3.75Å; I282-V323 HydrophobicContact CG2-CG1 3.9Å; I282-V323 HydrophobicContact CG2-CG2 4.22Å; I282-V323 WeakPolarHBondContact O-CA 3.28Å; I282-V323 WeakPolarHBondContact O-CB 3.48Å; I282-V323 PolarHBondContact O-N 3.44Å; I282-G324 PolarHBondContact N-O 3.42Å; I282-G324 PolarHBondContact O-N 3.26Å; I282-G324 VanDerWaalsContact O-O 3.13Å; I282-A328 HydrophobicContact CD1-CB 3.69Å; I282-A328 HydrophobicContact CG1-CB 3.75Å; I282-A340 HydrophobicContact CD1-CB 3.62Å; I282-A340 HydrophobicContact CG1-CB 4.25Å; I282-I341 WeakPolarHBondContact CD1-O 3.42Å; I282-V442 HydrophobicContact CG2-CG2 3.78Å; I282-I444 HydrophobicContact CG2-CD1 4.03Å
283	S	98.7	Very high	98	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	152.9	173.9	-69.8	0	0	0	0	112.2	F294 I295 A309 K321	S283-F294 WeakPolarHBondContact O-CA 3.3Å; S283-I295 PolarHBondContact N-O 3.25Å; S283-I295 VanDerWaalsContact N-O 3.09Å; S283-I295 PolarHBondContact O-N 3.03Å; S283-A309 WeakPolarHBondContact OG-CA 3.1Å; S283-A309 PolarHBondContact OG-O 2.95Å; S283-K321 CarbonylContact C-O 3.58Å; S283-K321 VanDerWaalsContact CA-O 3.26Å; S283-K321 WeakPolarHBondContact CA-O 3.33Å; S283-K321 VanDerWaalsContact CB-O 3.3Å; S283-K321 WeakPolarHBondContact CB-O 3.39Å
284	S	98.8	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	144.6	168.5	85.1	0	0	0	0	111.1	E292 R293 V320 K321 H433	S284-E292 VanDerWaalsContact CB-OE1 3.25Å; S284-E292 WeakPolarHBondContact CB-OE1 3.34Å; S284-E292 PolarHBondContact OG-OE1 2.87Å; S284-R293 CarbonylContact C-O 3.53Å; S284-R293 VanDerWaalsContact CA-O 3.29Å; S284-R293 WeakPolarHBondContact CA-O 3.31Å; S284-V320 VanDerWaalsContact O-CA 3.3Å; S284-V320 WeakPolarHBondContact O-CA 3.29Å; S284-K321 PolarHBondContact N-O 3.04Å; S284-K321 PolarHBondContact O-N 3.38Å; S284-H433 PolarHBondContact OG-CD2 2.91Å
285	F	98.7	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.5	174.9	-64.5	-95.1	0	0	0	108	E292 R293 I295 M308 M311 W318 V320 V552 L556	F285-E292 WeakPolarHBondContact O-CA 3.41Å; F285-R293 PolarHBondContact N-O 3.02Å; F285-R293 PolarHBondContact O-N 2.97Å; F285-I295 HydrophobicContact CD2-CB 4.18Å; F285-I295 HydrophobicContact CD2-CD1 3.75Å; F285-I295 HydrophobicContact CD2-CG1 3.93Å; F285-I295 HydrophobicContact CE2-CB 3.99Å; F285-I295 HydrophobicContact CE2-CD1 4.02Å; F285-I295 HydrophobicContact CE2-CG1 4.21Å; F285-I295 HydrophobicContact CG-CD1 4.49Å; F285-M308 HydrophobicContact CE2-CE 4.23Å; F285-M308 HydrophobicContact CZ-CE 3.79Å; F285-M308 HydrophobicContact CZ-CG 4.31Å; F285-M311 HydrophobicContact CE1-CE 4.44Å; F285-W318 HydrophobicContact CB-CZ3 4.35Å; F285-V320 HydrophobicContact CD1-CB 4.4Å; F285-V320 HydrophobicContact CD1-CG1 4.14Å; F285-V320 HydrophobicContact CD1-CG2 3.58Å; F285-V320 HydrophobicContact CE1-CB 4.38Å; F285-V320 HydrophobicContact CE1-CG1 3.8Å; F285-V320 HydrophobicContact CE1-CG2 3.66Å; F285-V320 HydrophobicContact CZ-CG1 4.1Å; F285-V552 HydrophobicContact CB-CG1 3.93Å; F285-V552 HydrophobicContact CD1-CB 4.25Å; F285-V552 HydrophobicContact CD1-CG1 3.51Å; F285-V552 HydrophobicContact CD1-CG2 4.3Å; F285-V552 HydrophobicContact CD2-CG1 4.09Å; F285-V552 HydrophobicContact CE1-CB 4.39Å; F285-V552 HydrophobicContact CE1-CG1 4.01Å; F285-V552 HydrophobicContact CE1-CG2 3.96Å; F285-V552 HydrophobicContact CG-CG1 3.57Å; F285-V552 HydrophobicContact CZ-CG1 4.49Å; F285-V552 HydrophobicContact CZ-CG2 4.24Å; F285-L556 HydrophobicContact CB-CD1 4.1Å
286	T	98.6	Very high	98.2	Very high	22 Å²	22	23.8 Å²	23.8	14%	0.135	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.1	175.1	-48.8	0	0	0	0	109.1	K291 E292 W318 K319	T286-K291 WeakPolarHBondContact CA-O 3.48Å; T286-E292 HydrophobicContact CG2-CB 4.47Å; T286-W318 WeakPolarHBondContact O-CA 3.38Å; T286-K319 PolarHBondContact N-O 3.46Å; T286-K319 PolarHBondContact O-N 2.92Å
287	S	97.7	Very high	98.2	Very high	22 Å²	22	23.6 Å²	23.6	15%	0.154	15%	0.149	C	C	.	.			trans	-69.5	164	174.9	62.5	0	0	0	0	112.2	A289 G290 K291	S287-A289 PolarHBondContact O-N 2.87Å; S287-A289 VanDerWaalsContact O-N 3.08Å; S287-G290 PolarHBondContact O-N 2.93Å; S287-K291 PolarHBondContact N-O 3.38Å; S287-K291 PolarHBondContact OG-N 2.84Å; S287-K291 PolarHBondContact OG-O 2.7Å
288	P	96.9	Very high	98.2	Very high	83 Å²	83	23.6 Å²	23.6	54%	0.539	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-24.3	173.2	-27.9	35.8	0	0	0	114.4	G290 W318	P288-G290 PolarHBondContact O-N 2.68Å; P288-W318 HydrophobicContact CG-CG 4.48Å
289	A	95.6	Very high	98.2	Very high	95 Å²	95	23.5 Å²	23.5	79%	0.785	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	1.8	174.4	0	0	0	0	0	113.8	S287 K291	S287-A289 PolarHBondContact O-N 2.87Å; S287-A289 VanDerWaalsContact O-N 3.08Å; A289-K291 VanDerWaalsContact C-N 3.31Å; A289-K291 PolarHBondContact O-N 2.82Å
290	G	96.6	Very high	98	Very high	56 Å²	56	23.8 Å²	23.8	58%	0.577	15%	0.15	S	C	*	.	S	Bend	trans	81	5.7	179.4	0	0	0	0	0	114.8	S287 P288	S287-G290 PolarHBondContact O-N 2.93Å; P288-G290 PolarHBondContact O-N 2.68Å
291	K	96.9	Very high	97.5	Very high	74 Å²	74	24.5 Å²	24.5	32%	0.322	16%	0.155	S	C	.	.			trans	-85.7	114.6	-179.5	-174.2	174.3	179.8	176.2	0	110.7	T286 S287 A289 D560	T286-K291 WeakPolarHBondContact CA-O 3.48Å; S287-K291 PolarHBondContact N-O 3.38Å; S287-K291 PolarHBondContact OG-N 2.84Å; S287-K291 PolarHBondContact OG-O 2.7Å; A289-K291 VanDerWaalsContact C-N 3.31Å; A289-K291 PolarHBondContact O-N 2.82Å; K291-D560 IonicContact NZ-OD1 3.27Å; K291-D560 PolarHBondContact NZ-OD1 3.13Å; K291-D560 IonicContact NZ-OD2 2.67Å; K291-D560 PolarHBondContact NZ-OD2 3.26Å
292	E	98.3	Very high	96.9	Very high	62 Å²	62	26.4 Å²	26.4	29%	0.29	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	141.5	176.3	-171.1	172.9	-130.6	0	0	111.4	S284 F285 T286 F294 H433	S284-E292 VanDerWaalsContact CB-OE1 3.25Å; S284-E292 WeakPolarHBondContact CB-OE1 3.34Å; S284-E292 PolarHBondContact OG-OE1 2.87Å; F285-E292 WeakPolarHBondContact O-CA 3.41Å; T286-E292 HydrophobicContact CG2-CB 4.47Å; E292-F294 HydrophobicContact CG-CE2 4.44Å; E292-H433 IonicContact OE1-CD2 2.85Å; E292-H433 IonicContact OE1-NE2 3.66Å; E292-H433 PolarHBondContact OE1-NE2 2.86Å; E292-H433 IonicContact OE2-NE2 2.89Å
293	R	98.4	Very high	96.5	Very high	65 Å²	65	26.5 Å²	26.5	25%	0.245	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148	176	-68.6	-72.6	-174.2	-104.5	21	109.1	S284 F285 D445 L556 D560	S284-R293 CarbonylContact C-O 3.53Å; S284-R293 VanDerWaalsContact CA-O 3.29Å; S284-R293 WeakPolarHBondContact CA-O 3.31Å; F285-R293 PolarHBondContact N-O 3.02Å; F285-R293 PolarHBondContact O-N 2.97Å; R293-D445 VanDerWaalsContact CA-OD2 3.23Å; R293-D445 WeakPolarHBondContact CA-OD2 3.37Å; R293-D445 HydrophobicContact CB-CB 4.44Å; R293-D445 WeakPolarHBondContact CB-OD2 3.46Å; R293-D445 WeakPolarHBondContact CD-OD2 3.46Å; R293-L556 HydrophobicContact CB-CD2 3.29Å; R293-L556 HydrophobicContact CG-CD2 3.39Å; R293-D560 IonicContact NH2-OD1 2.85Å
294	F	98.8	Very high	96.1	Very high	13 Å²	13	27.2 Å²	27.2	6%	0.057	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140	175.4	-54.9	-108.8	0	0	0	111.6	S283 E292 V323 H433 V442 P443 I444 D445 A446	S283-F294 WeakPolarHBondContact O-CA 3.3Å; E292-F294 HydrophobicContact CG-CE2 4.44Å; F294-V323 HydrophobicContact CD1-CG2 4.35Å; F294-V323 HydrophobicContact CE1-CG2 4.19Å; F294-H433 AromaticContact CE1-CD2 3.95Å; F294-H433 AromaticContact CE1-CE1 3.89Å; F294-H433 AromaticContact CE1-NE2 3.81Å; F294-H433 AromaticContact CZ-CE1 3.69Å; F294-H433 AromaticContact CZ-NE2 3.56Å; F294-V442 HydrophobicContact CB-CG2 4.5Å; F294-V442 HydrophobicContact CD1-CB 3.61Å; F294-V442 HydrophobicContact CD1-CG1 4.05Å; F294-V442 HydrophobicContact CD1-CG2 3.58Å; F294-V442 HydrophobicContact CD2-CB 4.32Å; F294-V442 HydrophobicContact CE1-CB 3.61Å; F294-V442 HydrophobicContact CE1-CG1 3.54Å; F294-V442 HydrophobicContact CE1-CG2 3.99Å; F294-V442 HydrophobicContact CE2-CB 4.35Å; F294-V442 HydrophobicContact CG-CB 4Å; F294-V442 HydrophobicContact CG-CG2 4.09Å; F294-V442 HydrophobicContact CZ-CB 4.01Å; F294-V442 HydrophobicContact CZ-CG1 3.93Å; F294-P443 WeakPolarHBondContact CB-O 3.4Å; F294-P443 HydrophobicContact CD2-CG 4.12Å; F294-P443 WeakPolarHBondContact CD2-O 2.81Å; F294-P443 HydrophobicContact CE2-CG 4.37Å; F294-I444 HydrophobicContact CB-CD1 4.24Å; F294-D445 PolarHBondContact N-OD2 2.64Å; F294-D445 PolarHBondContact O-N 3.03Å; F294-A446 PolarHBondContact O-N 2.95Å
295	I	98.9	Very high	96.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.2	-177.9	-58.9	-174	0	0	0	108.2	S283 F285 M308 A446 I448 V552 I555	S283-I295 PolarHBondContact N-O 3.25Å; S283-I295 VanDerWaalsContact N-O 3.09Å; S283-I295 PolarHBondContact O-N 3.03Å; F285-I295 HydrophobicContact CD2-CB 4.18Å; F285-I295 HydrophobicContact CD2-CD1 3.75Å; F285-I295 HydrophobicContact CD2-CG1 3.93Å; F285-I295 HydrophobicContact CE2-CB 3.99Å; F285-I295 HydrophobicContact CE2-CD1 4.02Å; F285-I295 HydrophobicContact CE2-CG1 4.21Å; F285-I295 HydrophobicContact CG-CD1 4.49Å; I295-M308 HydrophobicContact CG2-CE 4.5Å; I295-A446 WeakPolarHBondContact CA-O 3.4Å; I295-A446 HydrophobicContact CG1-CB 4.15Å; I295-A446 HydrophobicContact CG2-CB 4.43Å; I295-I448 HydrophobicContact CD1-CD1 4.44Å; I295-I448 HydrophobicContact CG2-CD1 3.47Å; I295-I448 VanDerWaalsContact CG2-CD1 3.47Å; I295-I448 HydrophobicContact CG2-CG1 3.71Å; I295-V552 HydrophobicContact CD1-CG1 3.86Å; I295-I555 HydrophobicContact CD1-CG2 4.25Å
296	A	98.9	Very high	96	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	142.6	164.4	0	0	0	0	0	109.7	M280 L281 M330 I444 A446 I447 I448	M280-A296 HydrophobicContact CB-CB 4.38Å; M280-A296 HydrophobicContact SD-CB 3.93Å; L281-A296 WeakPolarHBondContact O-CA 3.17Å; A296-M330 HydrophobicContact CB-SD 4.32Å; A296-I444 HydrophobicContact CB-CD1 4.23Å; A296-I444 HydrophobicContact CB-CG2 4.16Å; A296-A446 PolarHBondContact N-O 3.21Å; A296-I447 HydrophobicContact CB-CG1 4.43Å; A296-I447 CarbonylContact O-C 3.52Å; A296-I447 VanDerWaalsContact O-CA 3.29Å; A296-I447 WeakPolarHBondContact O-CA 3.47Å; A296-I448 PolarHBondContact O-N 3.34Å
297	A	98.9	Very high	95.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	125.6	178.6	0	0	0	0	0	114	M280 L281 F299 M308 I448	M280-A297 VanDerWaalsContact CA-O 3.23Å; M280-A297 WeakPolarHBondContact CA-O 3.25Å; L281-A297 HydrophobicContact CD1-CB 4.1Å; L281-A297 HydrophobicContact CD2-CB 3.84Å; L281-A297 HydrophobicContact CG-CB 3.78Å; L281-A297 PolarHBondContact N-O 3.3Å; L281-A297 PolarHBondContact O-N 2.8Å; L281-A297 VanDerWaalsContact O-N 3.12Å; A297-F299 HydrophobicContact CB-CE1 4.14Å; A297-F299 HydrophobicContact CB-CE2 4.11Å; A297-F299 HydrophobicContact CB-CZ 3.73Å; A297-M308 HydrophobicContact CB-SD 4.3Å; A297-I448 CarbonylContact C-O 3.56Å; A297-I448 WeakPolarHBondContact CA-O 3.14Å; A297-I448 HydrophobicContact CB-CB 3.84Å
298	A	98.8	Very high	95.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	105	178.1	0	0	0	0	0	110.4	M280 I448 F449 G450 A497	M280-A298 HydrophobicContact CE-CB 3.7Å; M280-A298 HydrophobicContact CG-CB 3.64Å; M280-A298 HydrophobicContact SD-CB 4.5Å; A298-I448 PolarHBondContact N-O 3.03Å; A298-F449 HydrophobicContact CB-CD1 3.69Å; A298-F449 HydrophobicContact CB-CE1 3.72Å; A298-G450 PolarHBondContact O-N 3.47Å; A298-A497 HydrophobicContact CB-CB 4.1Å
299	F	97.9	Very high	95.9	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.009	16%	0.162	C	C	.	.			trans	-120.2	144.2	167.6	-43.8	-43.1	0	0	0	109.4	L281 A297 C303 K305 M308 I448 G450 A497 V529	L281-F299 HydrophobicContact CD2-CE2 4.34Å; A297-F299 HydrophobicContact CB-CE1 4.14Å; A297-F299 HydrophobicContact CB-CE2 4.11Å; A297-F299 HydrophobicContact CB-CZ 3.73Å; F299-C303 HydrophobicContact CB-CB 3.81Å; F299-K305 HydrophobicContact CB-CG 3.8Å; F299-K305 HydrophobicContact CD2-CG 3.77Å; F299-K305 HydrophobicContact CG-CG 4.1Å; F299-K305 PolarHBondContact O-NZ 2.9Å; F299-M308 HydrophobicContact CE2-CB 4.42Å; F299-M308 HydrophobicContact CE2-SD 3.74Å; F299-M308 HydrophobicContact CZ-SD 3.8Å; F299-I448 HydrophobicContact CE1-CG2 3.96Å; F299-I448 HydrophobicContact CZ-CG2 4.13Å; F299-G450 WeakPolarHBondContact CA-O 3.45Å; F299-G450 WeakPolarHBondContact CD1-O 3.46Å; F299-A497 VanDerWaalsContact C-CB 3.46Å; F299-V529 HydrophobicContact CE1-CG2 3.61Å; F299-V529 HydrophobicContact CZ-CG2 3.79Å
300	P	94.1	Very high	96	Very high	6 Å²	6	20.8 Å²	20.8	4%	0.039	13%	0.125	C	C	.	.			trans	-51.2	164.5	171.2	-31.5	39.5	0	0	0	113.2	A302 C303 G450 L476 D494 A497	P300-A302 PolarHBondContact O-N 3.32Å; P300-C303 HydrophobicContact CB-CB 4.46Å; P300-C303 VanDerWaalsContact O-CB 3.32Å; P300-C303 WeakPolarHBondContact O-CB 3.25Å; P300-C303 PolarHBondContact O-N 3.4Å; P300-C303 VanDerWaalsContact O-N 3.14Å; P300-G450 WeakPolarHBondContact CD-O 3.32Å; P300-L476 HydrophobicContact CG-CD2 3.56Å; P300-D494 VanDerWaalsContact CB-OD2 3.26Å; P300-D494 WeakPolarHBondContact CB-OD2 3.34Å; P300-D494 HydrophobicContact CG-CB 3.89Å; P300-D494 WeakPolarHBondContact CG-OD2 3.4Å; P300-A497 HydrophobicContact CG-CB 4.25Å
301	S	89	Confident	96	Very high	14 Å²	14	18.3 Å²	18.3	10%	0.098	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	140.5	175	-63.9	0	0	0	0	110.9	C303 T481 A483	S301-C303 PolarHBondContact O-N 3.4Å; S301-T481 WeakPolarHBondContact O-CG2 3.4Å; S301-T481 PolarHBondContact O-OG1 3.2Å; S301-A483 VanDerWaalsContact CB-CB 3.43Å
302	A	85	Confident	96.1	Very high	41 Å²	41	19.5 Å²	19.5	34%	0.339	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	23.6	-176.9	0	0	0	0	0	116.1	P300 R452 T481	P300-A302 PolarHBondContact O-N 3.32Å; A302-R452 PolarHBondContact O-NE 3.5Å; A302-R452 VanDerWaalsContact O-NE 3.13Å; A302-R452 PolarHBondContact O-NH2 3.47Å; A302-T481 HydrophobicContact CB-CG2 4.05Å
303	C	91.2	Very high	96	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.007	10%	0.101	C	C	.	.	S	Bend	trans	-106	18.2	174.7	-63.2	0	0	0	0	114.4	F299 P300 S301 S478	F299-C303 HydrophobicContact CB-CB 3.81Å; P300-C303 HydrophobicContact CB-CB 4.46Å; P300-C303 VanDerWaalsContact O-CB 3.32Å; P300-C303 WeakPolarHBondContact O-CB 3.25Å; P300-C303 PolarHBondContact O-N 3.4Å; P300-C303 VanDerWaalsContact O-N 3.14Å; S301-C303 PolarHBondContact O-N 3.4Å; C303-S478 PolarHBondContact SG-OG 2.99Å
304	G	91.4	Very high	95.8	Very high	16 Å²	16	19.1 Å²	19.1	17%	0.165	11%	0.114	C	C	.	.	S	Bend	trans	99.6	16.8	165.5	0	0	0	0	0	116.8	N307 M308	G304-N307 PolarHBondContact O-N 3.32Å; G304-M308 PolarHBondContact O-N 2.97Å
305	K	97.6	Very high	95.7	Very high	12 Å²	12	19.4 Å²	19.4	5%	0.052	12%	0.116	C	C	.	.	H	α-helix	trans	-58.4	-54.8	176.6	-68.1	-163.7	-61.8	-64.4	0	112.4	H279 L281 F299 N307 M308 A309 D325 D326	H279-K305 PolarHBondContact CE1-NZ 2.88Å; H279-K305 WeakPolarHBondContact NE2-CE 3.45Å; H279-K305 PolarHBondContact NE2-NZ 3.4Å; L281-K305 HydrophobicContact CB-CB 4.35Å; L281-K305 HydrophobicContact CD2-CB 3.92Å; L281-K305 HydrophobicContact CD2-CG 4.23Å; L281-K305 VanDerWaalsContact CD2-O 3.28Å; L281-K305 WeakPolarHBondContact CD2-O 3.46Å; F299-K305 HydrophobicContact CB-CG 3.8Å; F299-K305 HydrophobicContact CD2-CG 3.77Å; F299-K305 HydrophobicContact CG-CG 4.1Å; F299-K305 PolarHBondContact O-NZ 2.9Å; K305-N307 VanDerWaalsContact C-N 3.29Å; K305-N307 PolarHBondContact O-N 3.29Å; K305-M308 PolarHBondContact O-N 3.26Å; K305-M308 VanDerWaalsContact O-N 3.09Å; K305-A309 WeakPolarHBondContact O-CB 3.31Å; K305-A309 PolarHBondContact O-N 3.19Å; K305-D325 VanDerWaalsContact CB-O 3.24Å; K305-D325 WeakPolarHBondContact CB-O 3.42Å; K305-D326 IonicContact NZ-OD1 3.07Å
306	T	96.2	Very high	95.6	Very high	29 Å²	29	24.9 Å²	24.9	18%	0.178	15%	0.151	C	C	.	.	H	α-helix	trans	-57.2	-40.5	177.7	-45.5	0	0	0	0	112.6	M308 A309 M310 D325 N359	T306-M308 PolarHBondContact O-N 3.4Å; T306-A309 PolarHBondContact O-N 2.82Å; T306-M310 HydrophobicContact CG2-CE 4.13Å; T306-M310 HydrophobicContact CG2-SD 3.87Å; T306-M310 WeakPolarHBondContact O-CB 3.24Å; T306-M310 PolarHBondContact O-N 2.54Å; T306-D325 WeakPolarHBondContact CB-OD2 3.36Å; T306-D325 HydrophobicContact CG2-CB 4.42Å; T306-D325 WeakPolarHBondContact CG2-OD2 3.49Å; T306-D325 PolarHBondContact OG1-OD2 3.06Å; T306-N359 PolarHBondContact O-ND2 2.76Å
307	N	95.2	Very high	95.5	Very high	43 Å²	43	27.3 Å²	27.3	23%	0.23	18%	0.176	C	C	.	.	H	α-helix	trans	-62.9	-40.7	176.2	-61	84.8	0	0	0	112.7	G304 K305 M311 T358	G304-N307 PolarHBondContact O-N 3.32Å; K305-N307 VanDerWaalsContact C-N 3.29Å; K305-N307 PolarHBondContact O-N 3.29Å; N307-M311 WeakPolarHBondContact O-CA 3.46Å; N307-M311 PolarHBondContact O-N 3.41Å; N307-T358 PolarHBondContact ND2-O 3.18Å; N307-T358 VanDerWaalsContact ND2-O 3.13Å
308	M	97.5	Very high	95.4	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-73.5	-39.7	176.9	179.8	167.4	-176.5	0	0	111.6	L281 F285 I295 A297 F299 G304 K305 T306 M310 M311 I448 V552	L281-M308 HydrophobicContact CD2-CB 3.81Å; L281-M308 HydrophobicContact CD2-CG 4Å; L281-M308 HydrophobicContact CD2-SD 4.27Å; F285-M308 HydrophobicContact CE2-CE 4.23Å; F285-M308 HydrophobicContact CZ-CE 3.79Å; F285-M308 HydrophobicContact CZ-CG 4.31Å; I295-M308 HydrophobicContact CG2-CE 4.5Å; A297-M308 HydrophobicContact CB-SD 4.3Å; F299-M308 HydrophobicContact CE2-CB 4.42Å; F299-M308 HydrophobicContact CE2-SD 3.74Å; F299-M308 HydrophobicContact CZ-SD 3.8Å; G304-M308 PolarHBondContact O-N 2.97Å; K305-M308 PolarHBondContact O-N 3.26Å; K305-M308 VanDerWaalsContact O-N 3.09Å; T306-M308 PolarHBondContact O-N 3.4Å; M308-M310 PolarHBondContact O-N 3.11Å; M308-M311 HydrophobicContact CB-CE 4.44Å; M308-M311 HydrophobicContact CG-CE 4.07Å; M308-M311 WeakPolarHBondContact O-CB 3.31Å; M308-M311 PolarHBondContact O-N 2.77Å; M308-I448 HydrophobicContact CE-CD1 3.7Å; M308-V552 HydrophobicContact CE-CG2 3.93Å
309	A	98.3	Very high	95.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-35.7	-178.7	0	0	0	0	0	112.1	L281 S283 K305 T306 C322 D325	L281-A309 HydrophobicContact CB-CB 3.99Å; L281-A309 HydrophobicContact CD1-CB 4.49Å; L281-A309 HydrophobicContact CD2-CB 4.42Å; S283-A309 WeakPolarHBondContact OG-CA 3.1Å; S283-A309 PolarHBondContact OG-O 2.95Å; K305-A309 WeakPolarHBondContact O-CB 3.31Å; K305-A309 PolarHBondContact O-N 3.19Å; T306-A309 PolarHBondContact O-N 2.82Å; A309-C322 WeakPolarHBondContact O-CB 3.37Å; A309-D325 HydrophobicContact CB-CB 3.86Å
310	M	98.2	Very high	95.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	26.7	-177.1	-61	-180	-178.8	0	0	112.9	T306 M308 L312 C322 F347 V361 A362	T306-M310 HydrophobicContact CG2-CE 4.13Å; T306-M310 HydrophobicContact CG2-SD 3.87Å; T306-M310 WeakPolarHBondContact O-CB 3.24Å; T306-M310 PolarHBondContact O-N 2.54Å; M308-M310 PolarHBondContact O-N 3.11Å; M310-L312 PolarHBondContact O-N 2.94Å; M310-C322 HydrophobicContact CG-CB 4.5Å; M310-F347 HydrophobicContact CE-CB 4.25Å; M310-F347 HydrophobicContact CE-CD1 3.54Å; M310-F347 HydrophobicContact CE-CD2 3.27Å; M310-F347 HydrophobicContact CE-CE1 3.55Å; M310-F347 HydrophobicContact CE-CE2 3.27Å; M310-F347 HydrophobicContact CE-CG 3.4Å; M310-F347 HydrophobicContact CE-CZ 3.42Å; M310-F347 VanDerWaalsContact CE-CZ 3.42Å; M310-V361 HydrophobicContact CB-CB 4Å; M310-V361 HydrophobicContact CB-CG1 3.74Å; M310-V361 HydrophobicContact CG-CG1 4.13Å; M310-V361 WeakPolarHBondContact O-CB 3.35Å; M310-V361 WeakPolarHBondContact O-CG2 3.47Å; M310-V361 HydrophobicContact SD-CG1 4.31Å; M310-A362 HydrophobicContact SD-CB 3.93Å
311	M	97.7	Very high	95.7	Very high	4 Å²	4	38 Å²	38	2%	0.02	22%	0.222	C	C	.	.			trans	-63.1	128.2	-173.3	-176.6	-173.3	-55	0	0	111.7	F285 N307 M308 P313 V320 N548 V549	F285-M311 HydrophobicContact CE1-CE 4.44Å; N307-M311 WeakPolarHBondContact O-CA 3.46Å; N307-M311 PolarHBondContact O-N 3.41Å; M308-M311 HydrophobicContact CB-CE 4.44Å; M308-M311 HydrophobicContact CG-CE 4.07Å; M308-M311 WeakPolarHBondContact O-CB 3.31Å; M308-M311 PolarHBondContact O-N 2.77Å; M311-P313 WeakPolarHBondContact O-CD 3.35Å; M311-V320 HydrophobicContact CB-CG1 4.37Å; M311-V320 HydrophobicContact CB-CG2 4.27Å; M311-V320 WeakPolarHBondContact O-CB 3.46Å; M311-N548 HydrophobicContact CE-CB 3.54Å; M311-N548 HydrophobicContact SD-CB 4.34Å; M311-V549 HydrophobicContact SD-CB 3.89Å
312	L	97	Very high	96.1	Very high	98 Å²	98	37.4 Å²	37.4	51%	0.513	22%	0.218	S	C	.	.			trans	-90.5	111.4	160.7	-170.8	67.4	0	0	0	107.9	M310 P360 G546	M310-L312 PolarHBondContact O-N 2.94Å; L312-P360 HydrophobicContact CB-CG 4.03Å; L312-P360 HydrophobicContact CD2-CG 3.8Å; L312-G546 WeakPolarHBondContact O-CA 3.45Å
313	P	97.1	Very high	96.8	Very high	25 Å²	25	35.5 Å²	35.5	16%	0.162	20%	0.202	C	C	.	.			trans	-73.3	137.5	-172.5	28.6	-33.8	0	0	0	111.9	M311 W318 V320 V549	M311-P313 WeakPolarHBondContact O-CD 3.35Å; P313-W318 HydrophobicContact CB-CB 3.77Å; P313-W318 HydrophobicContact CG-CB 3.76Å; P313-W318 WeakPolarHBondContact CG-O 3.33Å; P313-V320 HydrophobicContact CG-CG2 4.33Å; P313-V549 HydrophobicContact CB-CB 3.81Å; P313-V549 HydrophobicContact CB-CG1 3.88Å; P313-V549 HydrophobicContact CB-CG2 3.7Å
314	N	95.3	Very high	97.1	Very high	95 Å²	95	35.5 Å²	35.5	51%	0.508	20%	0.202	S	C	.	.	S	Bend	trans	-80.2	-17	175.9	-75.7	-13.8	0	0	0	113	G546 D547	N314-G546 PolarHBondContact N-O 2.84Å; N314-G546 VanDerWaalsContact N-O 3.08Å; N314-D547 VanDerWaalsContact ND2-CG 3.27Å; N314-D547 PolarHBondContact ND2-OD1 3.4Å; N314-D547 PolarHBondContact ND2-OD2 3.03Å
315	L	96.1	Very high	97.5	Very high	19 Å²	19	34.9 Å²	34.9	10%	0.099	20%	0.195	C	C	.	.	S	Bend	trans	-83.4	129.5	175.1	-74.4	-172.9	0	0	0	111.3	W318 V549 R550 N580	L315-W318 VanDerWaalsContact CB-CD1 3.45Å; L315-W318 HydrophobicContact CB-CG 4.31Å; L315-V549 HydrophobicContact CB-CG1 3.83Å; L315-V549 HydrophobicContact CD1-CG1 4.09Å; L315-V549 HydrophobicContact CG-CG1 3.81Å; L315-R550 HydrophobicContact CD1-CG 3.73Å; L315-R550 HydrophobicContact CD2-CG 4.38Å; L315-R550 HydrophobicContact CG-CG 3.93Å; L315-N580 HydrophobicContact CD1-CB 4.48Å
316	P	95.6	Very high	97.5	Very high	115 Å²	115	35.1 Å²	35.1	75%	0.747	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	148.1	176.2	-24.3	33.9	0	0	0	113.3	W318	P316-W318 PolarHBondContact O-N 2.74Å
317	G	97.1	Very high	97.6	Very high	51 Å²	51	33.7 Å²	33.7	53%	0.526	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-15.3	176.6	0	0	0	0	0	115.2
318	W	98.2	Very high	97.8	Very high	20 Å²	20	31.7 Å²	31.7	8%	0.076	18%	0.177	C	C	.	.			trans	-74.7	143.9	173.4	-76.4	85.4	0	0	0	112	F285 T286 P288 P313 L315 P316 V549 D553 L556	F285-W318 HydrophobicContact CB-CZ3 4.35Å; T286-W318 WeakPolarHBondContact O-CA 3.38Å; P288-W318 HydrophobicContact CG-CG 4.48Å; P313-W318 HydrophobicContact CB-CB 3.77Å; P313-W318 HydrophobicContact CG-CB 3.76Å; P313-W318 WeakPolarHBondContact CG-O 3.33Å; L315-W318 VanDerWaalsContact CB-CD1 3.45Å; L315-W318 HydrophobicContact CB-CG 4.31Å; P316-W318 PolarHBondContact O-N 2.74Å; W318-V549 HydrophobicContact CB-CG2 3.88Å; W318-V549 HydrophobicContact CD2-CG2 3.48Å; W318-V549 VanDerWaalsContact CD2-CG2 3.48Å; W318-V549 HydrophobicContact CE3-CG2 3.65Å; W318-V549 HydrophobicContact CG-CG2 3.59Å; W318-V549 HydrophobicContact CZ3-CG2 4.47Å; W318-D553 HydrophobicContact CH2-CB 4.01Å; W318-D553 HydrophobicContact CZ2-CB 3.53Å; W318-D553 VanDerWaalsContact CZ2-OD1 3.31Å; W318-D553 WeakPolarHBondContact CZ2-OD1 3.19Å; W318-L556 HydrophobicContact CH2-CD1 3.27Å; W318-L556 HydrophobicContact CZ3-CD1 3.24Å
319	K	98.3	Very high	97.9	Very high	137 Å²	137	31.6 Å²	31.6	60%	0.596	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.2	169.3	-59.4	179	-177.3	175.9	0	109.6	T286	T286-K319 PolarHBondContact N-O 3.46Å; T286-K319 PolarHBondContact O-N 2.92Å
320	V	98.6	Very high	97.9	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.5	172.2	-174.6	0	0	0	0	107.8	S284 F285 M311 P313	S284-V320 VanDerWaalsContact O-CA 3.3Å; S284-V320 WeakPolarHBondContact O-CA 3.29Å; F285-V320 HydrophobicContact CD1-CB 4.4Å; F285-V320 HydrophobicContact CD1-CG1 4.14Å; F285-V320 HydrophobicContact CD1-CG2 3.58Å; F285-V320 HydrophobicContact CE1-CB 4.38Å; F285-V320 HydrophobicContact CE1-CG1 3.8Å; F285-V320 HydrophobicContact CE1-CG2 3.66Å; F285-V320 HydrophobicContact CZ-CG1 4.1Å; M311-V320 HydrophobicContact CB-CG1 4.37Å; M311-V320 HydrophobicContact CB-CG2 4.27Å; M311-V320 WeakPolarHBondContact O-CB 3.46Å; P313-V320 HydrophobicContact CG-CG2 4.33Å
321	K	98.7	Very high	97.9	Very high	70 Å²	70	36.5 Å²	36.5	30%	0.304	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.8	171.3	-63.1	175.7	177.3	173.1	0	110.9	S283 S284 I431 H433	S283-K321 CarbonylContact C-O 3.58Å; S283-K321 VanDerWaalsContact CA-O 3.26Å; S283-K321 WeakPolarHBondContact CA-O 3.33Å; S283-K321 VanDerWaalsContact CB-O 3.3Å; S283-K321 WeakPolarHBondContact CB-O 3.39Å; S284-K321 PolarHBondContact N-O 3.04Å; S284-K321 PolarHBondContact O-N 3.38Å; K321-I431 CarbonylContact C-O 3.54Å; K321-I431 WeakPolarHBondContact CA-O 3.4Å; K321-I431 WeakPolarHBondContact CB-O 3.32Å; K321-H433 HydrophobicContact CB-CB 3.82Å
322	C	98.8	Very high	97.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	134.1	-177.9	-174.9	0	0	0	0	111.1	A309 M310 I431 M432 H433	A309-C322 WeakPolarHBondContact O-CB 3.37Å; M310-C322 HydrophobicContact CG-CB 4.5Å; C322-I431 PolarHBondContact N-O 2.81Å; C322-M432 HydrophobicContact CB-SD 4.09Å; C322-M432 VanDerWaalsContact O-CE 3.29Å; C322-M432 WeakPolarHBondContact O-CE 3.31Å; C322-M432 VanDerWaalsContact O-SD 3.42Å; C322-H433 VanDerWaalsContact O-CB 3.31Å; C322-H433 WeakPolarHBondContact O-CB 3.37Å; C322-H433 PolarHBondContact O-N 3.03Å
323	V	98.8	Very high	97.7	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-39.7	165.4	169.9	0	0	0	0	110.4	I282 F294 N342 M432 H433 W436 V442	I282-V323 HydrophobicContact CB-CB 3.86Å; I282-V323 HydrophobicContact CB-CG1 4.01Å; I282-V323 HydrophobicContact CD1-CG1 4.22Å; I282-V323 HydrophobicContact CG2-CB 3.75Å; I282-V323 HydrophobicContact CG2-CG1 3.9Å; I282-V323 HydrophobicContact CG2-CG2 4.22Å; I282-V323 WeakPolarHBondContact O-CA 3.28Å; I282-V323 WeakPolarHBondContact O-CB 3.48Å; I282-V323 PolarHBondContact O-N 3.44Å; F294-V323 HydrophobicContact CD1-CG2 4.35Å; F294-V323 HydrophobicContact CE1-CG2 4.19Å; V323-N342 HydrophobicContact CG1-CB 4.16Å; V323-N342 VanDerWaalsContact O-CB 3.25Å; V323-N342 WeakPolarHBondContact O-CB 3.2Å; V323-N342 PolarHBondContact O-ND2 2.71Å; V323-M432 WeakPolarHBondContact O-CE 3.32Å; V323-H433 HydrophobicContact CG2-CB 3.67Å; V323-W436 HydrophobicContact CG1-CB 4.44Å; V323-V442 HydrophobicContact CG1-CG2 4.48Å; V323-V442 HydrophobicContact CG2-CG1 4.45Å; V323-V442 HydrophobicContact CG2-CG2 4.4Å
324	G	98.6	Very high	97.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	156.9	174.3	0	0	0	0	0	111.3	L281 I282 N342	L281-G324 CarbonylContact C-O 3.58Å; L281-G324 WeakPolarHBondContact CA-O 3.46Å; L281-G324 WeakPolarHBondContact CB-O 3.33Å; I282-G324 PolarHBondContact N-O 3.42Å; I282-G324 PolarHBondContact O-N 3.26Å; I282-G324 VanDerWaalsContact O-O 3.13Å; G324-N342 WeakPolarHBondContact CA-ND2 3.39Å
325	D	98.3	Very high	97.5	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	23%	0.228	C	C	.	.	S	Bend	trans	-110.8	-8.3	-171.5	85.8	-40.7	0	0	0	115.2	K305 T306 A309 F347	K305-D325 VanDerWaalsContact CB-O 3.24Å; K305-D325 WeakPolarHBondContact CB-O 3.42Å; T306-D325 WeakPolarHBondContact CB-OD2 3.36Å; T306-D325 HydrophobicContact CG2-CB 4.42Å; T306-D325 WeakPolarHBondContact CG2-OD2 3.49Å; T306-D325 PolarHBondContact OG1-OD2 3.06Å; A309-D325 HydrophobicContact CB-CB 3.86Å; D325-F347 HydrophobicContact CB-CD1 3.96Å; D325-F347 HydrophobicContact CB-CE1 4.17Å; D325-F347 WeakPolarHBondContact OD1-CD1 3.21Å
326	D	98.4	Very high	97.6	Very high	16 Å²	16	44.7 Å²	44.7	9%	0.086	22%	0.224	C	C	.	.	S	Bend	trans	-144.5	-34.9	-165.8	-174.5	59.8	0	0	0	115.3	K258 K259 H279 M280 K305	K258-D326 WeakPolarHBondContact CE-OD2 3.49Å; K258-D326 IonicContact NZ-OD2 3.53Å; K258-D326 PolarHBondContact NZ-OD2 3.29Å; K259-D326 VanDerWaalsContact CE-OD2 3.27Å; K259-D326 WeakPolarHBondContact CE-OD2 3.41Å; K259-D326 IonicContact NZ-OD1 3.64Å; K259-D326 PolarHBondContact NZ-OD1 2.91Å; K259-D326 IonicContact NZ-OD2 2.78Å; K259-D326 PolarHBondContact NZ-OD2 3.1Å; H279-D326 CarbonylContact C-O 3.58Å; H279-D326 VanDerWaalsContact C-O 3.31Å; H279-D326 WeakPolarHBondContact CA-O 3.13Å; H279-D326 PolarHBondContact CD2-O 3.04Å; H279-D326 VanDerWaalsContact CD2-O 3.26Å; H279-D326 IonicContact CD2-OD1 3.24Å; H279-D326 PolarHBondContact CD2-OD1 3.02Å; H279-D326 VanDerWaalsContact CD2-OD1 3.26Å; H279-D326 IonicContact NE2-OD1 3.04Å; H279-D326 PolarHBondContact NE2-OD1 2.85Å; H279-D326 VanDerWaalsContact NE2-OD1 3.12Å; M280-D326 PolarHBondContact N-O 3.13Å; M280-D326 CarbonylContact O-C 3.6Å; K305-D326 IonicContact NZ-OD1 3.07Å
327	I	98.7	Very high	97.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.198	C	C	.	.			trans	-131.4	136.8	-178.5	-52.6	178.3	0	0	0	110.7	K258 A262 L263 E278 M280 P343 E344	K258-I327 HydrophobicContact CG-CD1 4.13Å; K258-I327 WeakPolarHBondContact O-CD1 3.23Å; A262-I327 HydrophobicContact CB-CD1 3.87Å; A262-I327 HydrophobicContact CB-CG2 4.21Å; L263-I327 HydrophobicContact CD2-CG1 4.33Å; L263-I327 HydrophobicContact CD2-CG2 3.86Å; L263-I327 HydrophobicContact CG-CD1 4.25Å; L263-I327 HydrophobicContact CG-CG1 4.36Å; L263-I327 HydrophobicContact CG-CG2 4.49Å; E278-I327 WeakPolarHBondContact O-CA 3.3Å; M280-I327 CarbonylContact O-C 3.44Å; M280-I327 WeakPolarHBondContact O-CA 3.13Å; M280-I327 PolarHBondContact O-N 2.88Å; M280-I327 VanDerWaalsContact O-N 3.1Å; I327-P343 HydrophobicContact CB-CG 3.85Å; I327-P343 HydrophobicContact CG2-CG 3.43Å; I327-P343 VanDerWaalsContact CG2-CG 3.43Å; I327-P343 WeakPolarHBondContact O-CD 3.45Å; I327-E344 HydrophobicContact CD1-CG 4.21Å
328	A	98.8	Very high	97.7	Very high	0 Å²	0	39 Å²	39	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.1	172.2	0	0	0	0	0	110.4	E278 M280 I282 M330	E278-A328 PolarHBondContact N-O 3.26Å; E278-A328 PolarHBondContact O-N 3.01Å; M280-A328 HydrophobicContact CB-CB 3.83Å; M280-A328 PolarHBondContact O-N 2.87Å; I282-A328 HydrophobicContact CD1-CB 3.69Å; I282-A328 HydrophobicContact CG1-CB 3.75Å; A328-M330 HydrophobicContact CB-CG 4.06Å; A328-M330 HydrophobicContact CB-SD 4.39Å
329	W	98.8	Very high	97.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.1	165	-70.7	-3.6	0	0	0	108.9	M161 L168 K170 F261 A262 A266 W275 L276 A340 I341 P343	M161-W329 HydrophobicContact CB-CH2 3.44Å; M161-W329 VanDerWaalsContact CB-CH2 3.44Å; M161-W329 HydrophobicContact CB-CZ2 4.08Å; M161-W329 HydrophobicContact CB-CZ3 4.04Å; M161-W329 HydrophobicContact CG-CH2 4.38Å; M161-W329 WeakPolarHBondContact O-CZ3 3.4Å; L168-W329 WeakPolarHBondContact O-CZ3 3.28Å; K170-W329 HydrophobicContact CB-CH2 3.83Å; K170-W329 HydrophobicContact CB-CZ3 4.04Å; K170-W329 HydrophobicContact CG-CH2 3.83Å; K170-W329 HydrophobicContact CG-CZ3 3.77Å; F261-W329 HydrophobicContact CE2-CH2 4.42Å; A262-W329 HydrophobicContact CB-CZ2 3.72Å; A262-W329 PolarHBondContact O-NE1 3.33Å; A266-W329 HydrophobicContact CB-CZ2 3.75Å; W275-W329 HydrophobicContact CE3-CB 4.26Å; W275-W329 HydrophobicContact CE3-CG 4.41Å; W275-W329 AromaticContact CH2-CD2 3.93Å; W275-W329 HydrophobicContact CH2-CD2 3.93Å; W275-W329 HydrophobicContact CH2-CE3 4.3Å; W275-W329 HydrophobicContact CH2-CG 4.15Å; W275-W329 HydrophobicContact CZ3-CB 3.83Å; W275-W329 AromaticContact CZ3-CD1 3.74Å; W275-W329 AromaticContact CZ3-CD2 3.8Å; W275-W329 HydrophobicContact CZ3-CD2 3.8Å; W275-W329 HydrophobicContact CZ3-CE3 4.42Å; W275-W329 AromaticContact CZ3-CG 3.52Å; W275-W329 HydrophobicContact CZ3-CG 3.52Å; L276-W329 CarbonylContact O-C 3.53Å; L276-W329 WeakPolarHBondContact O-CA 3.42Å; W329-A340 CarbonylContact O-C 3.55Å; W329-A340 VanDerWaalsContact O-CA 3.3Å; W329-A340 WeakPolarHBondContact O-CA 3.4Å; W329-I341 HydrophobicContact CB-CG1 3.94Å; W329-I341 HydrophobicContact CE3-CD1 4.15Å; W329-I341 PolarHBondContact N-O 2.6Å; W329-I341 PolarHBondContact O-N 3.2Å; W329-P343 HydrophobicContact CD2-CB 3.86Å; W329-P343 HydrophobicContact CD2-CG 4.11Å; W329-P343 HydrophobicContact CE3-CB 4.05Å; W329-P343 HydrophobicContact CG-CB 4.38Å; W329-P343 HydrophobicContact CG-CG 4.17Å; W329-P343 HydrophobicContact CH2-CB 4.28Å; W329-P343 HydrophobicContact CZ2-CB 4.1Å; W329-P343 HydrophobicContact CZ3-CB 4.24Å
330	M	98.6	Very high	97.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.3	-169	-48.8	-178.4	-76.1	0	0	111.8	W275 L276 E278 M280 A296 A328 L338 V339 A340 W513	W275-M330 WeakPolarHBondContact CB-O 3.45Å; L276-M330 HydrophobicContact CB-CB 4.31Å; L276-M330 HydrophobicContact CB-CE 4.04Å; L276-M330 HydrophobicContact CD1-CE 4.06Å; L276-M330 PolarHBondContact N-O 2.96Å; L276-M330 PolarHBondContact O-N 2.88Å; E278-M330 HydrophobicContact CB-CE 4.04Å; E278-M330 HydrophobicContact CG-CE 3.46Å; E278-M330 VanDerWaalsContact CG-CE 3.46Å; M280-M330 HydrophobicContact CE-CE 4.49Å; M280-M330 HydrophobicContact SD-CE 3.73Å; M280-M330 HydrophobicContact SD-SD 4.25Å; A296-M330 HydrophobicContact CB-SD 4.32Å; A328-M330 HydrophobicContact CB-CG 4.06Å; A328-M330 HydrophobicContact CB-SD 4.39Å; M330-L338 HydrophobicContact CB-CD1 3.8Å; M330-L338 HydrophobicContact CB-CD2 4.44Å; M330-L338 HydrophobicContact CB-CG 4.2Å; M330-L338 HydrophobicContact SD-CD2 4.12Å; M330-V339 CarbonylContact C-O 3.55Å; M330-V339 WeakPolarHBondContact CA-O 3.24Å; M330-A340 HydrophobicContact CB-CB 4.48Å; M330-A340 HydrophobicContact CG-CB 3.74Å; M330-W513 HydrophobicContact CE-CH2 4.34Å; M330-W513 HydrophobicContact CE-CZ2 4.49Å
331	R	97.7	Very high	97.7	Very high	105 Å²	105	31.6 Å²	31.6	40%	0.396	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	140.3	178.9	-177.4	171	-177.4	155.5	5.1	110.6	L168 W275 V339	L168-R331 HydrophobicContact CD1-CB 4.43Å; L168-R331 HydrophobicContact CD2-CB 3.73Å; L168-R331 HydrophobicContact CD2-CG 4.37Å; W275-R331 HydrophobicContact CB-CB 3.88Å; W275-R331 HydrophobicContact CB-CG 4.05Å; R331-V339 PolarHBondContact N-O 3.26Å; R331-V339 WeakPolarHBondContact O-CG2 3.41Å; R331-V339 PolarHBondContact O-N 3.1Å
332	F	97.7	Very high	97.7	Very high	16 Å²	16	28.2 Å²	28.2	7%	0.07	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.9	168	-70.6	-77.5	0	0	0	109.8	G336 Q337 L338 V516 H521 T523	F332-G336 VanDerWaalsContact CD1-O 3.28Å; F332-G336 WeakPolarHBondContact CD1-O 3.43Å; F332-Q337 WeakPolarHBondContact CA-O 3.44Å; F332-L338 HydrophobicContact CD1-CB 3.86Å; F332-L338 HydrophobicContact CD1-CD1 4.12Å; F332-L338 HydrophobicContact CD2-CD1 3.95Å; F332-L338 HydrophobicContact CE1-CB 3.57Å; F332-L338 HydrophobicContact CE1-CD1 4.08Å; F332-L338 HydrophobicContact CE1-CG 4.32Å; F332-L338 HydrophobicContact CE2-CD1 3.87Å; F332-L338 HydrophobicContact CG-CD1 4.09Å; F332-L338 HydrophobicContact CZ-CB 4.1Å; F332-L338 HydrophobicContact CZ-CD1 3.95Å; F332-L338 HydrophobicContact CZ-CD2 4.46Å; F332-L338 HydrophobicContact CZ-CG 4.4Å; F332-V516 HydrophobicContact CD2-CB 4.49Å; F332-V516 WeakPolarHBondContact CD2-O 3.38Å; F332-V516 HydrophobicContact CE2-CB 4.4Å; F332-V516 HydrophobicContact CE2-CG2 4.34Å; F332-V516 WeakPolarHBondContact CE2-O 3.25Å; F332-H521 HydrophobicContact CD1-CB 3.6Å; F332-H521 AromaticContact CD1-CG 3.78Å; F332-H521 HydrophobicContact CD2-CB 4.22Å; F332-H521 AromaticContact CD2-CG 3.87Å; F332-H521 AromaticContact CD2-ND1 3.54Å; F332-H521 HydrophobicContact CE1-CB 3.69Å; F332-H521 HydrophobicContact CE2-CB 4.32Å; F332-H521 HydrophobicContact CG-CB 3.85Å; F332-H521 AromaticContact CG-CD2 3.84Å; F332-H521 AromaticContact CG-CE1 3.99Å; F332-H521 AromaticContact CG-CG 3.52Å; F332-H521 AromaticContact CG-ND1 3.63Å; F332-H521 HydrophobicContact CZ-CB 4.07Å; F332-T523 HydrophobicContact CZ-CG2 4.29Å
333	R	94.3	Very high	97.7	Very high	99 Å²	99	28.2 Å²	28.2	37%	0.374	13%	0.127	S	C	.	.			trans	-78.1	171.6	171.9	-70.7	-175.9	-177.6	165	9.4	110.6	D335 G336 Q337 V339 A440 G441	R333-D335 VanDerWaalsContact CB-OD1 3.3Å; R333-D335 WeakPolarHBondContact CB-OD1 3.46Å; R333-D335 PolarHBondContact O-N 2.56Å; R333-G336 WeakPolarHBondContact O-CA 3.24Å; R333-G336 PolarHBondContact O-N 3.26Å; R333-Q337 PolarHBondContact N-O 2.93Å; R333-V339 HydrophobicContact CG-CG1 4.05Å; R333-V339 HydrophobicContact CG-CG2 3.88Å; R333-V339 VanDerWaalsContact NE-CG1 3.35Å; R333-A440 VanDerWaalsContact NH2-CB 3.31Å; R333-A440 PolarHBondContact NH2-O 2.87Å; R333-G441 PolarHBondContact NH2-O 3.36Å
334	E	93.2	Very high	97.7	Very high	206 Å²	206	28.2 Å²	28.2	96%	0.963	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.8	177.1	-65.4	172.5	-171.2	0	0	113.1	G336	E334-G336 PolarHBondContact O-N 2.85Å
335	D	95	Very high	97.7	Very high	91 Å²	91	28.8 Å²	28.8	49%	0.487	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	2.6	175.9	68.6	-3.6	0	0	0	114.2	R333 Q337 K522	R333-D335 VanDerWaalsContact CB-OD1 3.3Å; R333-D335 WeakPolarHBondContact CB-OD1 3.46Å; R333-D335 PolarHBondContact O-N 2.56Å; D335-Q337 VanDerWaalsContact C-N 3.31Å; D335-Q337 PolarHBondContact O-N 2.8Å; D335-Q337 VanDerWaalsContact OD1-CB 3.31Å; D335-Q337 WeakPolarHBondContact OD1-CB 3.25Å; D335-Q337 PolarHBondContact OD1-N 2.9Å; D335-K522 WeakPolarHBondContact O-CE 3.46Å; D335-K522 PolarHBondContact O-NZ 2.91Å
336	G	96.4	Very high	97.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	13%	0.131	C	C	.	.	S	Bend	trans	79.7	-1.3	-178	0	0	0	0	0	115	F332 R333 E334 K522	F332-G336 VanDerWaalsContact CD1-O 3.28Å; F332-G336 WeakPolarHBondContact CD1-O 3.43Å; R333-G336 WeakPolarHBondContact O-CA 3.24Å; R333-G336 PolarHBondContact O-N 3.26Å; E334-G336 PolarHBondContact O-N 2.85Å; G336-K522 WeakPolarHBondContact O-CB 3.27Å; G336-K522 PolarHBondContact O-N 3.39Å
337	Q	97.6	Very high	97.7	Very high	44 Å²	44	27.9 Å²	27.9	21%	0.206	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-76.2	130.9	179	-179.9	60.4	59.1	0	0	110.7	F332 R333 D335 V339 P443 I444	F332-Q337 WeakPolarHBondContact CA-O 3.44Å; R333-Q337 PolarHBondContact N-O 2.93Å; D335-Q337 VanDerWaalsContact C-N 3.31Å; D335-Q337 PolarHBondContact O-N 2.8Å; D335-Q337 VanDerWaalsContact OD1-CB 3.31Å; D335-Q337 WeakPolarHBondContact OD1-CB 3.25Å; D335-Q337 PolarHBondContact OD1-N 2.9Å; Q337-V339 HydrophobicContact CG-CG1 4.17Å; Q337-V339 PolarHBondContact O-N 3.26Å; Q337-P443 HydrophobicContact CG-CB 3.82Å; Q337-I444 PolarHBondContact NE2-O 3.2Å; Q337-I444 VanDerWaalsContact NE2-O 3.11Å
338	L	98.4	Very high	97.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	125.9	167.7	-171.4	62.6	0	0	0	109	M330 F332 P443 I444 I447 P524	M330-L338 HydrophobicContact CB-CD1 3.8Å; M330-L338 HydrophobicContact CB-CD2 4.44Å; M330-L338 HydrophobicContact CB-CG 4.2Å; M330-L338 HydrophobicContact SD-CD2 4.12Å; F332-L338 HydrophobicContact CD1-CB 3.86Å; F332-L338 HydrophobicContact CD1-CD1 4.12Å; F332-L338 HydrophobicContact CD2-CD1 3.95Å; F332-L338 HydrophobicContact CE1-CB 3.57Å; F332-L338 HydrophobicContact CE1-CD1 4.08Å; F332-L338 HydrophobicContact CE1-CG 4.32Å; F332-L338 HydrophobicContact CE2-CD1 3.87Å; F332-L338 HydrophobicContact CG-CD1 4.09Å; F332-L338 HydrophobicContact CZ-CB 4.1Å; F332-L338 HydrophobicContact CZ-CD1 3.95Å; F332-L338 HydrophobicContact CZ-CD2 4.46Å; F332-L338 HydrophobicContact CZ-CG 4.4Å; L338-P443 WeakPolarHBondContact O-CA 3.39Å; L338-I444 HydrophobicContact CD2-CB 4.25Å; L338-I444 HydrophobicContact CD2-CG2 4.41Å; L338-I444 HydrophobicContact CG-CB 4.38Å; L338-I444 PolarHBondContact O-N 2.9Å; L338-I447 HydrophobicContact CD2-CD1 4.24Å; L338-P524 HydrophobicContact CD2-CG 3.9Å
339	V	98.2	Very high	97.4	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.024	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	153.2	172.4	-56.3	0	0	0	0	111.3	M330 R331 R333 Q337 V442	M330-V339 CarbonylContact C-O 3.55Å; M330-V339 WeakPolarHBondContact CA-O 3.24Å; R331-V339 PolarHBondContact N-O 3.26Å; R331-V339 WeakPolarHBondContact O-CG2 3.41Å; R331-V339 PolarHBondContact O-N 3.1Å; R333-V339 HydrophobicContact CG-CG1 4.05Å; R333-V339 HydrophobicContact CG-CG2 3.88Å; R333-V339 VanDerWaalsContact NE-CG1 3.35Å; Q337-V339 HydrophobicContact CG-CG1 4.17Å; Q337-V339 PolarHBondContact O-N 3.26Å; V339-V442 CarbonylContact C-O 3.54Å; V339-V442 WeakPolarHBondContact CA-O 3.34Å
340	A	98.6	Very high	97.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.7	-178.6	0	0	0	0	0	112.7	I282 W329 M330 G441 V442 I444	I282-A340 HydrophobicContact CD1-CB 3.62Å; I282-A340 HydrophobicContact CG1-CB 4.25Å; W329-A340 CarbonylContact O-C 3.55Å; W329-A340 VanDerWaalsContact O-CA 3.3Å; W329-A340 WeakPolarHBondContact O-CA 3.4Å; M330-A340 HydrophobicContact CB-CB 4.48Å; M330-A340 HydrophobicContact CG-CB 3.74Å; A340-G441 CarbonylContact O-C 3.48Å; A340-G441 WeakPolarHBondContact O-CA 3.41Å; A340-V442 PolarHBondContact N-O 3.23Å; A340-V442 PolarHBondContact O-N 3Å; A340-I444 HydrophobicContact CB-CD1 3.67Å; A340-I444 HydrophobicContact CB-CG1 3.66Å
341	I	98.6	Very high	97.1	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.015	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	152.3	162.3	63.6	161.6	0	0	0	110	L168 I282 W329 P343	L168-I341 HydrophobicContact CB-CD1 3.58Å; L168-I341 HydrophobicContact CB-CG1 4.03Å; L168-I341 HydrophobicContact CD1-CD1 4.49Å; L168-I341 HydrophobicContact CD1-CG1 4.05Å; L168-I341 HydrophobicContact CD1-CG2 4.14Å; I282-I341 WeakPolarHBondContact CD1-O 3.42Å; W329-I341 HydrophobicContact CB-CG1 3.94Å; W329-I341 HydrophobicContact CE3-CD1 4.15Å; W329-I341 PolarHBondContact N-O 2.6Å; W329-I341 PolarHBondContact O-N 3.2Å; I341-P343 WeakPolarHBondContact O-CD 3.41Å
342	N	98.5	Very high	97	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.			trans	-85.6	115.9	161.3	174.1	15	0	0	0	108.4	V323 G324 E344	V323-N342 HydrophobicContact CG1-CB 4.16Å; V323-N342 VanDerWaalsContact O-CB 3.25Å; V323-N342 WeakPolarHBondContact O-CB 3.2Å; V323-N342 PolarHBondContact O-ND2 2.71Å; G324-N342 WeakPolarHBondContact CA-ND2 3.39Å; N342-E344 PolarHBondContact ND2-O 2.93Å; N342-E344 PolarHBondContact O-N 2.83Å; N342-E344 WeakPolarHBondContact OD1-CB 3.29Å; N342-E344 PolarHBondContact OD1-N 2.67Å
343	P	98.5	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.			trans	-71.9	-16.8	177.7	29.9	-33.1	0	0	0	113.2	M161 G162 R190 A262 I327 W329 I341	M161-P343 CarbonylContact C-O 3.52Å; M161-P343 WeakPolarHBondContact CA-O 3.28Å; M161-P343 HydrophobicContact CB-CB 4.1Å; M161-P343 HydrophobicContact CE-CB 4.08Å; G162-P343 PolarHBondContact N-O 2.73Å; R190-P343 PolarHBondContact NH1-O 2.85Å; A262-P343 HydrophobicContact CB-CB 4.48Å; A262-P343 HydrophobicContact CB-CG 4.19Å; I327-P343 HydrophobicContact CB-CG 3.85Å; I327-P343 HydrophobicContact CG2-CG 3.43Å; I327-P343 VanDerWaalsContact CG2-CG 3.43Å; I327-P343 WeakPolarHBondContact O-CD 3.45Å; W329-P343 HydrophobicContact CD2-CB 3.86Å; W329-P343 HydrophobicContact CD2-CG 4.11Å; W329-P343 HydrophobicContact CE3-CB 4.05Å; W329-P343 HydrophobicContact CG-CB 4.38Å; W329-P343 HydrophobicContact CG-CG 4.17Å; W329-P343 HydrophobicContact CH2-CB 4.28Å; W329-P343 HydrophobicContact CZ2-CB 4.1Å; W329-P343 HydrophobicContact CZ3-CB 4.24Å; I341-P343 WeakPolarHBondContact O-CD 3.41Å
344	E	98.7	Very high	96.8	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.129	C	C	.	.			trans	-87.6	157.6	-177.9	-51.1	-165.6	87.6	0	0	112.6	M161 M188 R190 K258 I327 N342	M161-E344 HydrophobicContact CE-CG 4.24Å; M188-E344 HydrophobicContact CE-CB 4.49Å; M188-E344 WeakPolarHBondContact CE-OE1 3.32Å; R190-E344 VanDerWaalsContact NH1-C 3.26Å; R190-E344 PolarHBondContact NH1-O 2.74Å; K258-E344 WeakPolarHBondContact CD-OE1 3.28Å; K258-E344 VanDerWaalsContact CG-OE1 3.28Å; K258-E344 WeakPolarHBondContact CG-OE1 3.32Å; K258-E344 IonicContact NZ-OE1 3.96Å; K258-E344 PolarHBondContact NZ-OE1 2.76Å; K258-E344 IonicContact NZ-OE2 2.94Å; K258-E344 PolarHBondContact NZ-OE2 2.79Å; I327-E344 HydrophobicContact CD1-CG 4.21Å; N342-E344 PolarHBondContact ND2-O 2.93Å; N342-E344 PolarHBondContact O-N 2.83Å; N342-E344 WeakPolarHBondContact OD1-CB 3.29Å; N342-E344 PolarHBondContact OD1-N 2.67Å
345	A	98.4	Very high	96.9	Very high	13 Å²	13	13.6 Å²	13.6	11%	0.107	9%	0.086	C	C	.	.	S	Bend	trans	-110.6	-1.1	176.4	0	0	0	0	0	113.5	I187 M188 T189 R190 A426	I187-A345 CarbonylContact O-C 3.2Å; M188-A345 PolarHBondContact O-N 3.03Å; T189-A345 VanDerWaalsContact C-CB 3.47Å; R190-A345 HydrophobicContact CG-CB 4.42Å; A345-A426 VanDerWaalsContact O-CB 3.25Å; A345-A426 WeakPolarHBondContact O-CB 3.2Å; A345-A426 PolarHBondContact O-N 3.37Å
346	G	98.5	Very high	96.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	176.6	-176.7	0	0	0	0	0	112	I187 M188 T424	I187-G346 WeakPolarHBondContact O-CA 3.3Å; I187-G346 PolarHBondContact O-N 3.01Å; M188-G346 WeakPolarHBondContact CE-O 3.36Å; M188-G346 VanDerWaalsContact SD-C 3.55Å; G346-T424 CarbonylContact C-O 3.51Å; G346-T424 VanDerWaalsContact CA-O 3.24Å; G346-T424 WeakPolarHBondContact CA-O 3.47Å
347	F	98.4	Very high	96.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.7	175.5	-50.8	-64.8	0	0	0	110	M188 M310 D325 T365 T423 T424 A426 C429 M432	M188-F347 VanDerWaalsContact SD-C 3.58Å; M310-F347 HydrophobicContact CE-CB 4.25Å; M310-F347 HydrophobicContact CE-CD1 3.54Å; M310-F347 HydrophobicContact CE-CD2 3.27Å; M310-F347 HydrophobicContact CE-CE1 3.55Å; M310-F347 HydrophobicContact CE-CE2 3.27Å; M310-F347 HydrophobicContact CE-CG 3.4Å; M310-F347 HydrophobicContact CE-CZ 3.42Å; M310-F347 VanDerWaalsContact CE-CZ 3.42Å; D325-F347 HydrophobicContact CB-CD1 3.96Å; D325-F347 HydrophobicContact CB-CE1 4.17Å; D325-F347 WeakPolarHBondContact OD1-CD1 3.21Å; F347-T365 HydrophobicContact CD2-CG2 4.28Å; F347-T365 HydrophobicContact CE2-CG2 4.43Å; F347-T423 WeakPolarHBondContact O-CA 3.38Å; F347-T424 HydrophobicContact CB-CG2 4.05Å; F347-T424 HydrophobicContact CD2-CG2 4.03Å; F347-T424 PolarHBondContact N-O 3.03Å; F347-T424 PolarHBondContact O-N 2.82Å; F347-A426 HydrophobicContact CD2-CB 4.37Å; F347-A426 HydrophobicContact CE1-CB 4.31Å; F347-A426 VanDerWaalsContact CE2-CA 3.42Å; F347-A426 HydrophobicContact CE2-CB 3.75Å; F347-A426 HydrophobicContact CZ-CB 3.71Å; F347-C429 HydrophobicContact CE2-CB 3.84Å; F347-C429 HydrophobicContact CZ-CB 4.35Å; F347-M432 HydrophobicContact CZ-CE 4.27Å; F347-M432 HydrophobicContact CZ-SD 3.89Å
348	F	97.4	Very high	96.4	Very high	10 Å²	10	20 Å²	20	4%	0.044	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	65.7	172.5	-171	-115.1	0	0	0	108.9	M188 K258 R421 F422 T423	M188-F348 HydrophobicContact CE-CB 3.8Å; M188-F348 HydrophobicContact SD-CB 3.93Å; K258-F348 HydrophobicContact CD-CB 4.28Å; K258-F348 HydrophobicContact CD-CD1 4.49Å; F348-R421 HydrophobicContact CD1-CG 4.17Å; F348-R421 HydrophobicContact CD2-CB 4.11Å; F348-R421 HydrophobicContact CD2-CG 4.46Å; F348-R421 HydrophobicContact CE1-CB 4.23Å; F348-R421 HydrophobicContact CE1-CG 3.58Å; F348-R421 HydrophobicContact CE2-CB 3.62Å; F348-R421 HydrophobicContact CE2-CG 3.92Å; F348-R421 HydrophobicContact CZ-CB 3.7Å; F348-R421 HydrophobicContact CZ-CG 3.45Å; F348-R421 VanDerWaalsContact CZ-CG 3.45Å; F348-R421 PolarHBondContact O-NH1 2.82Å; F348-F422 CarbonylContact C-O 3.53Å; F348-F422 WeakPolarHBondContact CA-O 3.23Å; F348-T423 HydrophobicContact CD2-CG2 4.27Å; F348-T423 VanDerWaalsContact CD2-OG1 3.29Å; F348-T423 WeakPolarHBondContact CD2-OG1 3.48Å; F348-T423 WeakPolarHBondContact CE2-OG1 3.21Å
349	G	94.8	Very high	96.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	150	-167.6	0	0	0	0	0	113.1	A351 R421 F422	G349-A351 PolarHBondContact O-N 2.86Å; G349-R421 WeakPolarHBondContact O-CA 3.48Å; G349-R421 WeakPolarHBondContact O-CD 3.18Å; G349-F422 PolarHBondContact N-O 2.74Å; G349-F422 PolarHBondContact O-N 2.79Å
350	V	94.2	Very high	96.2	Very high	32 Å²	32	21.2 Å²	21.2	19%	0.194	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	123.4	172.1	176.5	0	0	0	0	108.6	T354 R421	V350-T354 PolarHBondContact O-OG1 3.11Å; V350-T354 VanDerWaalsContact O-OG1 3.06Å; V350-R421 VanDerWaalsContact CG2-CZ 3.43Å
351	A	96.1	Very high	96.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.			trans	-73.5	-53.3	179.9	0	0	0	0	0	112.3	G349 G353 T354 V375 W385 S420 F422	G349-A351 PolarHBondContact O-N 2.86Å; A351-G353 PolarHBondContact O-N 2.86Å; A351-T354 WeakPolarHBondContact O-CB 3.24Å; A351-T354 PolarHBondContact O-N 2.89Å; A351-T354 PolarHBondContact O-OG1 2.95Å; A351-V375 HydrophobicContact CB-CG1 3.79Å; A351-W385 HydrophobicContact CB-CD2 3.78Å; A351-W385 HydrophobicContact CB-CE3 3.79Å; A351-W385 HydrophobicContact CB-CG 4.27Å; A351-W385 HydrophobicContact CB-CH2 4.46Å; A351-W385 HydrophobicContact CB-CZ2 4.46Å; A351-W385 HydrophobicContact CB-CZ3 4.13Å; A351-W385 VanDerWaalsContact O-CD1 3.31Å; A351-W385 PolarHBondContact O-NE1 2.81Å; A351-S420 PolarHBondContact N-O 3.09Å; A351-F422 HydrophobicContact CB-CD1 4.11Å
352	P	94.9	Very high	96.1	Very high	29 Å²	29	21.3 Å²	21.3	19%	0.188	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	133.5	-175.5	-25.7	37.2	0	0	0	112.8	T354 W385 A416 H417 S420	P352-T354 VanDerWaalsContact C-N 3.32Å; P352-W385 HydrophobicContact CG-CB 4.43Å; P352-A416 HydrophobicContact CG-CB 4.48Å; P352-H417 WeakPolarHBondContact CG-O 3.29Å; P352-S420 WeakPolarHBondContact CD-OG 3.47Å; P352-S420 VanDerWaalsContact CG-OG 3.31Å; P352-S420 WeakPolarHBondContact CG-OG 3.42Å
353	G	92.6	Very high	96.1	Very high	38 Å²	38	21.4 Å²	21.4	39%	0.392	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-9.5	-174.2	0	0	0	0	0	115.3	A351 T358 E386	A351-G353 PolarHBondContact O-N 2.86Å; G353-T358 WeakPolarHBondContact O-CB 3.08Å; G353-T358 WeakPolarHBondContact O-CG2 3.35Å; G353-T358 PolarHBondContact O-OG1 3.04Å; G353-E386 PolarHBondContact N-O 3.22Å
354	T	95.2	Very high	96	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.055	14%	0.143	C	C	.	.			trans	-79.5	127.4	172.6	-58.1	0	0	0	0	110.1	V350 A351 P352 T358 N359 A362 M363 W385 F422	V350-T354 PolarHBondContact O-OG1 3.11Å; V350-T354 VanDerWaalsContact O-OG1 3.06Å; A351-T354 WeakPolarHBondContact O-CB 3.24Å; A351-T354 PolarHBondContact O-N 2.89Å; A351-T354 PolarHBondContact O-OG1 2.95Å; P352-T354 VanDerWaalsContact C-N 3.32Å; T354-T358 WeakPolarHBondContact CA-OG1 3.42Å; T354-N359 HydrophobicContact CG2-CB 4.3Å; T354-A362 HydrophobicContact CG2-CB 3.99Å; T354-M363 HydrophobicContact CG2-CG 4.22Å; T354-M363 HydrophobicContact CG2-SD 3.8Å; T354-W385 PolarHBondContact O-NE1 3.45Å; T354-F422 HydrophobicContact CG2-CE1 4.45Å
355	S	95.4	Very high	96	Very high	8 Å²	8	25.6 Å²	25.6	6%	0.056	14%	0.143	C	C	.	.	S	Bend	trans	-156.3	173.3	176.8	63.6	0	0	0	0	110	K357 T358 N359	S355-K357 PolarHBondContact O-N 3.04Å; S355-K357 VanDerWaalsContact O-N 3.13Å; S355-K357 PolarHBondContact OG-N 2.82Å; S355-T358 PolarHBondContact N-OG1 3.18Å; S355-T358 PolarHBondContact O-N 3.16Å; S355-T358 VanDerWaalsContact O-N 3.09Å; S355-T358 PolarHBondContact OG-N 2.83Å; S355-T358 PolarHBondContact OG-OG1 2.77Å; S355-N359 CarbonylContact O-C 3.4Å; S355-N359 VanDerWaalsContact O-C 3.25Å; S355-N359 PolarHBondContact O-N 3.09Å
356	H	94.2	Very high	95.9	Very high	81 Å²	81	25 Å²	25	38%	0.375	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18	175.7	-63.9	99.8	0	0	0	112.3	P360 E391	H356-P360 WeakPolarHBondContact O-CD 3.24Å; H356-E391 VanDerWaalsContact CB-OE1 3.32Å; H356-E391 WeakPolarHBondContact CB-OE1 3.42Å; H356-E391 IonicContact CE1-OE2 2.78Å; H356-E391 IonicContact CG-OE1 2.74Å; H356-E391 IonicContact CG-OE2 2.76Å; H356-E391 PolarHBondContact N-OE1 3.25Å; H356-E391 IonicContact ND1-OE1 3.59Å; H356-E391 PolarHBondContact ND1-OE1 3.16Å; H356-E391 IonicContact ND1-OE2 3.49Å; H356-E391 PolarHBondContact ND1-OE2 2.97Å
357	K	92.3	Very high	95.7	Very high	169 Å²	169	28 Å²	28	74%	0.735	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-42.8	170.9	-177.3	179.3	176.5	-176.4	0	113	S355	S355-K357 PolarHBondContact O-N 3.04Å; S355-K357 VanDerWaalsContact O-N 3.13Å; S355-K357 PolarHBondContact OG-N 2.82Å
358	T	93.2	Very high	95.7	Very high	21 Å²	21	32 Å²	32	13%	0.129	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-30.5	-169	59.8	0	0	0	0	113.5	N307 G353 T354 S355 F545	N307-T358 PolarHBondContact ND2-O 3.18Å; N307-T358 VanDerWaalsContact ND2-O 3.13Å; G353-T358 WeakPolarHBondContact O-CB 3.08Å; G353-T358 WeakPolarHBondContact O-CG2 3.35Å; G353-T358 PolarHBondContact O-OG1 3.04Å; T354-T358 WeakPolarHBondContact CA-OG1 3.42Å; S355-T358 PolarHBondContact N-OG1 3.18Å; S355-T358 PolarHBondContact O-N 3.16Å; S355-T358 VanDerWaalsContact O-N 3.09Å; S355-T358 PolarHBondContact OG-N 2.83Å; S355-T358 PolarHBondContact OG-OG1 2.77Å; T358-F545 VanDerWaalsContact CB-CE1 3.47Å; T358-F545 HydrophobicContact CG2-CD1 4.2Å; T358-F545 HydrophobicContact CG2-CE1 3.6Å; T358-F545 HydrophobicContact CG2-CE2 4.17Å; T358-F545 HydrophobicContact CG2-CZ 3.58Å; T358-F545 VanDerWaalsContact O-CD1 3.3Å; T358-F545 WeakPolarHBondContact O-CD1 3.26Å
359	N	96.4	Very high	95.7	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	18%	0.181	C	C	.	.			trans	-160.5	76.5	176.9	-165.1	-15.1	0	0	0	110.7	T306 T354 S355 V361 A362 M363	T306-N359 PolarHBondContact O-ND2 2.76Å; T354-N359 HydrophobicContact CG2-CB 4.3Å; S355-N359 CarbonylContact O-C 3.4Å; S355-N359 VanDerWaalsContact O-C 3.25Å; S355-N359 PolarHBondContact O-N 3.09Å; N359-V361 PolarHBondContact O-N 2.95Å; N359-A362 HydrophobicContact CB-CB 3.99Å; N359-A362 VanDerWaalsContact ND2-CB 3.35Å; N359-A362 WeakPolarHBondContact ND2-CB 3.24Å; N359-A362 PolarHBondContact O-N 2.93Å; N359-A362 WeakPolarHBondContact OD1-CB 3.26Å; N359-A362 PolarHBondContact OD1-N 3.03Å; N359-M363 PolarHBondContact O-N 2.77Å
360	P	96.2	Very high	95.8	Very high	28 Å²	28	34.1 Å²	34.1	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-59.7	-35.1	178.8	23	-32.2	0	0	0	112.5	L312 H356 A362 M363 D364	L312-P360 HydrophobicContact CB-CG 4.03Å; L312-P360 HydrophobicContact CD2-CG 3.8Å; H356-P360 WeakPolarHBondContact O-CD 3.24Å; P360-A362 PolarHBondContact O-N 3Å; P360-M363 WeakPolarHBondContact O-CB 3.48Å; P360-M363 PolarHBondContact O-N 3.36Å; P360-D364 PolarHBondContact O-N 3.04Å
361	V	97.9	Very high	96	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.036	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-45.4	176.9	172.3	0	0	0	0	111.4	M310 N359 M363 D364 T365 C429 P430 I431	M310-V361 HydrophobicContact CB-CB 4Å; M310-V361 HydrophobicContact CB-CG1 3.74Å; M310-V361 HydrophobicContact CG-CG1 4.13Å; M310-V361 WeakPolarHBondContact O-CB 3.35Å; M310-V361 WeakPolarHBondContact O-CG2 3.47Å; M310-V361 HydrophobicContact SD-CG1 4.31Å; N359-V361 PolarHBondContact O-N 2.95Å; V361-M363 VanDerWaalsContact C-N 3.33Å; V361-D364 PolarHBondContact O-N 3.09Å; V361-T365 WeakPolarHBondContact O-CB 3.47Å; V361-T365 PolarHBondContact O-N 3.26Å; V361-T365 PolarHBondContact O-OG1 2.81Å; V361-C429 VanDerWaalsContact CG1-SG 3.58Å; V361-P430 HydrophobicContact CG1-CG 4.04Å; V361-I431 HydrophobicContact CB-CD1 4.48Å; V361-I431 HydrophobicContact CG1-CD1 3.98Å; V361-I431 HydrophobicContact CG1-CG1 3.67Å; V361-I431 HydrophobicContact CG2-CD1 3.91Å; V361-I431 HydrophobicContact CG2-CG1 4.18Å; V361-I431 HydrophobicContact CG2-CG2 4.48Å
362	A	97.5	Very high	96.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-39.1	176.8	0	0	0	0	0	111.9	M310 T354 N359 P360 T365 C366 F422	M310-A362 HydrophobicContact SD-CB 3.93Å; T354-A362 HydrophobicContact CG2-CB 3.99Å; N359-A362 HydrophobicContact CB-CB 3.99Å; N359-A362 VanDerWaalsContact ND2-CB 3.35Å; N359-A362 WeakPolarHBondContact ND2-CB 3.24Å; N359-A362 PolarHBondContact O-N 2.93Å; N359-A362 WeakPolarHBondContact OD1-CB 3.26Å; N359-A362 PolarHBondContact OD1-N 3.03Å; P360-A362 PolarHBondContact O-N 3Å; A362-T365 PolarHBondContact O-N 3.05Å; A362-C366 PolarHBondContact O-N 3.12Å; A362-C366 PolarHBondContact O-SG 3.32Å; A362-F422 HydrophobicContact CB-CZ 4.24Å
363	M	96.7	Very high	96.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-56.8	-55.8	173.8	-67.5	-60.4	-75	0	0	110.2	T354 N359 P360 V361 T365 C366 M367 W385 M388	T354-M363 HydrophobicContact CG2-CG 4.22Å; T354-M363 HydrophobicContact CG2-SD 3.8Å; N359-M363 PolarHBondContact O-N 2.77Å; P360-M363 WeakPolarHBondContact O-CB 3.48Å; P360-M363 PolarHBondContact O-N 3.36Å; V361-M363 VanDerWaalsContact C-N 3.33Å; M363-T365 PolarHBondContact O-N 2.76Å; M363-C366 PolarHBondContact O-N 3.41Å; M363-C366 VanDerWaalsContact O-N 3.16Å; M363-C366 PolarHBondContact O-SG 3.29Å; M363-C366 VanDerWaalsContact O-SG 3.32Å; M363-M367 HydrophobicContact CB-CE 4.22Å; M363-M367 HydrophobicContact CE-CE 3.31Å; M363-M367 VanDerWaalsContact O-CG 3.27Å; M363-M367 WeakPolarHBondContact O-CG 3.27Å; M363-M367 PolarHBondContact O-N 3.38Å; M363-M367 HydrophobicContact SD-CE 4.24Å; M363-W385 HydrophobicContact CE-CZ2 4.38Å; M363-W385 HydrophobicContact SD-CZ2 3.87Å; M363-M388 HydrophobicContact CE-CE 3.74Å; M363-M388 HydrophobicContact CE-SD 4.47Å
364	D	96.9	Very high	96.6	Very high	89 Å²	89	29.6 Å²	29.6	48%	0.476	15%	0.145	S	C	.	.	H	α-helix	trans	-57.2	-37.1	179.2	-66.6	-20	0	0	0	112.4	P360 V361 P430	P360-D364 PolarHBondContact O-N 3.04Å; V361-D364 PolarHBondContact O-N 3.09Å; D364-P430 HydrophobicContact CB-CG 4.29Å
365	T	98.1	Very high	96.8	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-67.9	-43.6	179.8	-53.5	0	0	0	0	111.8	F347 V361 A362 M363 M367 T424 Q428 C429 P430	F347-T365 HydrophobicContact CD2-CG2 4.28Å; F347-T365 HydrophobicContact CE2-CG2 4.43Å; V361-T365 WeakPolarHBondContact O-CB 3.47Å; V361-T365 PolarHBondContact O-N 3.26Å; V361-T365 PolarHBondContact O-OG1 2.81Å; A362-T365 PolarHBondContact O-N 3.05Å; M363-T365 PolarHBondContact O-N 2.76Å; T365-M367 PolarHBondContact O-N 3.35Å; T365-T424 HydrophobicContact CG2-CG2 3.71Å; T365-T424 PolarHBondContact O-OG1 2.96Å; T365-Q428 HydrophobicContact CG2-CB 4.1Å; T365-Q428 PolarHBondContact O-NE2 3.5Å; T365-Q428 VanDerWaalsContact O-NE2 3.12Å; T365-C429 HydrophobicContact CG2-CB 4.19Å; T365-C429 WeakPolarHBondContact OG1-CA 3.26Å; T365-P430 WeakPolarHBondContact OG1-CD 3.39Å
366	C	97.4	Very high	96.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-85.4	-2.1	-172.3	71.8	0	0	0	0	114.5	A362 M363 K368 T370 F372 F422	A362-C366 PolarHBondContact O-N 3.12Å; A362-C366 PolarHBondContact O-SG 3.32Å; M363-C366 PolarHBondContact O-N 3.41Å; M363-C366 VanDerWaalsContact O-N 3.16Å; M363-C366 PolarHBondContact O-SG 3.29Å; M363-C366 VanDerWaalsContact O-SG 3.32Å; C366-K368 VanDerWaalsContact C-N 3.26Å; C366-K368 PolarHBondContact O-N 2.88Å; C366-T370 WeakPolarHBondContact CA-OG1 3.31Å; C366-T370 HydrophobicContact CB-CG2 4.12Å; C366-T370 VanDerWaalsContact O-CB 3.28Å; C366-T370 WeakPolarHBondContact O-CB 3.29Å; C366-T370 PolarHBondContact O-OG1 3.45Å; C366-F372 HydrophobicContact CB-CE1 4.4Å; C366-F372 HydrophobicContact CB-CZ 4.04Å; C366-F372 VanDerWaalsContact O-CZ 3.28Å; C366-F372 WeakPolarHBondContact O-CZ 3.28Å; C366-F422 HydrophobicContact CB-CB 4.24Å; C366-F422 HydrophobicContact CB-CD2 4.14Å; C366-F422 HydrophobicContact CB-CG 4.12Å
367	M	94.9	Very high	97.1	Very high	62 Å²	62	27 Å²	27	31%	0.305	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-8.4	-178.5	-68.3	-48.3	163	0	0	115	M86 E87 M363 T365	M86-M367 HydrophobicContact CE-CB 4.41Å; M86-M367 HydrophobicContact CE-SD 3.4Å; M86-M367 WeakPolarHBondContact CE-SD 3.36Å; E87-M367 PolarHBondContact N-O 3.41Å; M363-M367 HydrophobicContact CB-CE 4.22Å; M363-M367 HydrophobicContact CE-CE 3.31Å; M363-M367 VanDerWaalsContact O-CG 3.27Å; M363-M367 WeakPolarHBondContact O-CG 3.27Å; M363-M367 PolarHBondContact O-N 3.38Å; M363-M367 HydrophobicContact SD-CE 4.24Å; T365-M367 PolarHBondContact O-N 3.35Å
368	K	97	Very high	97.3	Very high	85 Å²	85	19.2 Å²	19.2	37%	0.37	10%	0.099	S	C	.	.	B	Isolated β-bridge	trans	-139.5	155.3	176.5	62.6	176.1	-177.6	-176.8	0	113	E87 C89 C366 T370 Q428	E87-K368 HydrophobicContact CB-CB 3.86Å; E87-K368 HydrophobicContact CG-CB 4.45Å; E87-K368 CarbonylContact O-C 3.57Å; E87-K368 WeakPolarHBondContact O-CA 3.19Å; E87-K368 WeakPolarHBondContact O-CB 3.41Å; C89-K368 VanDerWaalsContact SG-C 3.57Å; C89-K368 VanDerWaalsContact SG-CA 3.51Å; C366-K368 VanDerWaalsContact C-N 3.26Å; C366-K368 PolarHBondContact O-N 2.88Å; K368-T370 PolarHBondContact O-N 2.91Å; K368-T370 VanDerWaalsContact O-N 3.09Å; K368-T370 PolarHBondContact O-OG1 3.45Å; K368-Q428 PolarHBondContact O-NE2 3.02Å
369	N	97.4	Very high	97.5	Very high	54 Å²	54	22 Å²	22	29%	0.289	12%	0.124	S	C	.	.	S	Bend	trans	46.8	40.3	176.9	-54.7	-59.1	0	0	0	113.6	E87 N88 P425 Q428	E87-N369 PolarHBondContact O-N 2.64Å; N88-N369 WeakPolarHBondContact CB-OD1 3.28Å; N88-N369 PolarHBondContact ND2-OD1 2.87Å; N88-N369 VanDerWaalsContact O-CA 3.23Å; N88-N369 WeakPolarHBondContact O-CA 3.31Å; N88-N369 PolarHBondContact O-N 3.37Å; N369-P425 HydrophobicContact CB-CG 4.49Å; N369-P425 VanDerWaalsContact O-CD 3.26Å; N369-P425 WeakPolarHBondContact O-CD 3.38Å; N369-Q428 VanDerWaalsContact CB-OE1 3.31Å; N369-Q428 PolarHBondContact ND2-OE1 3.12Å
370	T	98.5	Very high	97.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.			trans	-123.5	137.5	-169	-66.8	0	0	0	0	111.4	C89 F90 C366 K368 F372 F422 T423 T424	C89-T370 VanDerWaalsContact CA-O 3.27Å; C89-T370 WeakPolarHBondContact CA-O 3.44Å; F90-T370 PolarHBondContact N-O 3.4Å; C366-T370 WeakPolarHBondContact CA-OG1 3.31Å; C366-T370 HydrophobicContact CB-CG2 4.12Å; C366-T370 VanDerWaalsContact O-CB 3.28Å; C366-T370 WeakPolarHBondContact O-CB 3.29Å; C366-T370 PolarHBondContact O-OG1 3.45Å; K368-T370 PolarHBondContact O-N 2.91Å; K368-T370 VanDerWaalsContact O-N 3.09Å; K368-T370 PolarHBondContact O-OG1 3.45Å; T370-F372 HydrophobicContact CG2-CD2 3.87Å; T370-F372 HydrophobicContact CG2-CE1 4.24Å; T370-F372 HydrophobicContact CG2-CE2 3.48Å; T370-F372 VanDerWaalsContact CG2-CE2 3.48Å; T370-F372 HydrophobicContact CG2-CG 4.39Å; T370-F372 HydrophobicContact CG2-CZ 3.69Å; T370-F422 HydrophobicContact CG2-CB 3.89Å; T370-T423 WeakPolarHBondContact CA-O 3.45Å; T370-T424 VanDerWaalsContact OG1-CB 3.24Å; T370-T424 WeakPolarHBondContact OG1-CB 3.23Å; T370-T424 PolarHBondContact OG1-OG1 3.47Å
371	I	98.4	Very high	97.4	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	113.6	170.8	-57.5	173.7	0	0	0	108.4	L80 F90 Y180 M183 I187 T423	L80-I371 HydrophobicContact CD2-CG2 4.28Å; F90-I371 HydrophobicContact CD2-CG1 4.44Å; Y180-I371 HydrophobicContact CE2-CG2 4.03Å; M183-I371 HydrophobicContact CB-CD1 3.69Å; I187-I371 HydrophobicContact CD1-CD1 4.02Å; I187-I371 HydrophobicContact CD1-CG1 4.17Å; I371-T423 PolarHBondContact N-O 3.06Å; I371-T423 PolarHBondContact O-N 3.47Å
372	F	98.7	Very high	97.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	143.5	171.1	-65.4	-90.9	0	0	0	110.4	L83 M86 C89 F90 L91 S92 C366 T370 V375 V383 W385 R421 F422	L83-F372 HydrophobicContact CD1-CD2 3.66Å; L83-F372 HydrophobicContact CD1-CE2 4.24Å; L83-F372 HydrophobicContact CD1-CG 4.45Å; M86-F372 HydrophobicContact CE-CE2 3.5Å; M86-F372 VanDerWaalsContact CE-CE2 3.5Å; M86-F372 HydrophobicContact CE-CZ 3.6Å; M86-F372 HydrophobicContact SD-CE2 4.17Å; C89-F372 HydrophobicContact CB-CE2 4.32Å; F90-F372 PolarHBondContact O-N 3.48Å; L91-F372 HydrophobicContact CD1-CB 4.16Å; S92-F372 PolarHBondContact N-O 3.01Å; C366-F372 HydrophobicContact CB-CE1 4.4Å; C366-F372 HydrophobicContact CB-CZ 4.04Å; C366-F372 VanDerWaalsContact O-CZ 3.28Å; C366-F372 WeakPolarHBondContact O-CZ 3.28Å; T370-F372 HydrophobicContact CG2-CD2 3.87Å; T370-F372 HydrophobicContact CG2-CE1 4.24Å; T370-F372 HydrophobicContact CG2-CE2 3.48Å; T370-F372 VanDerWaalsContact CG2-CE2 3.48Å; T370-F372 HydrophobicContact CG2-CG 4.39Å; T370-F372 HydrophobicContact CG2-CZ 3.69Å; F372-V375 HydrophobicContact CB-CG2 3.67Å; F372-V375 HydrophobicContact CD1-CG1 4.35Å; F372-V375 HydrophobicContact CD1-CG2 4.25Å; F372-V375 HydrophobicContact CG-CG2 4.22Å; F372-V383 HydrophobicContact CD1-CG1 4.35Å; F372-V383 HydrophobicContact CD2-CG1 4.17Å; F372-V383 HydrophobicContact CE1-CG2 4.33Å; F372-V383 HydrophobicContact CE2-CG1 4.42Å; F372-V383 HydrophobicContact CG-CG1 4.14Å; F372-V383 HydrophobicContact CZ-CG2 4.38Å; F372-W385 AromaticContact CD1-CZ3 3.95Å; F372-W385 HydrophobicContact CD1-CZ3 3.95Å; F372-W385 AromaticContact CE1-CH2 3.84Å; F372-W385 HydrophobicContact CE1-CH2 3.84Å; F372-W385 AromaticContact CE1-CZ3 3.69Å; F372-W385 HydrophobicContact CE1-CZ3 3.69Å; F372-R421 CarbonylContact C-O 3.58Å; F372-R421 WeakPolarHBondContact CA-O 3.44Å; F372-F422 HydrophobicContact CD1-CB 3.8Å; F372-F422 HydrophobicContact CE1-CB 3.68Å; F372-F422 HydrophobicContact CZ-CB 4.42Å
373	T	98.7	Very high	97.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	122.3	179.3	-56.7	0	0	0	0	110.2	S92 T94 Y180 V375 S420 R421	S92-T373 VanDerWaalsContact O-CA 3.32Å; S92-T373 WeakPolarHBondContact O-CA 3.31Å; T94-T373 HydrophobicContact CG2-CG2 3.65Å; Y180-T373 PolarHBondContact OH-OG1 3.19Å; T373-V375 VanDerWaalsContact C-N 3.35Å; T373-V375 PolarHBondContact O-N 2.94Å; T373-S420 VanDerWaalsContact O-CA 3.31Å; T373-S420 WeakPolarHBondContact O-CA 3.21Å; T373-S420 WeakPolarHBondContact O-CB 3.34Å; T373-R421 PolarHBondContact N-O 2.95Å; T373-R421 PolarHBondContact O-N 2.99Å
374	N	98.5	Very high	97.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	62.3	30.2	179.7	-60.1	-21.6	0	0	0	115.6	S92 R93 T94 W402 A416 H417 S420	S92-N374 PolarHBondContact O-N 2.84Å; R93-N374 WeakPolarHBondContact CA-OD1 3.49Å; T94-N374 PolarHBondContact N-OD1 2.99Å; T94-N374 PolarHBondContact OG1-ND2 2.8Å; T94-N374 PolarHBondContact OG1-OD1 2.82Å; N374-W402 VanDerWaalsContact C-CB 3.44Å; N374-W402 HydrophobicContact CB-CB 4.12Å; N374-W402 HydrophobicContact CB-CD2 4.38Å; N374-W402 HydrophobicContact CB-CE3 3.89Å; N374-W402 WeakPolarHBondContact O-CB 3.38Å; N374-A416 WeakPolarHBondContact O-CA 3.23Å; N374-H417 HydrophobicContact CB-CB 3.72Å; N374-H417 PolarHBondContact O-N 3.09Å; N374-S420 VanDerWaalsContact C-CB 3.44Å; N374-S420 WeakPolarHBondContact O-CB 3.46Å
375	V	98.4	Very high	97.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.117	C	C	.	.			trans	-91.6	166.9	167.3	-57.4	0	0	0	0	110.6	L91 A351 F372 T373 V383 W385 A416	L91-V375 HydrophobicContact CD1-CG2 3.53Å; A351-V375 HydrophobicContact CB-CG1 3.79Å; F372-V375 HydrophobicContact CB-CG2 3.67Å; F372-V375 HydrophobicContact CD1-CG1 4.35Å; F372-V375 HydrophobicContact CD1-CG2 4.25Å; F372-V375 HydrophobicContact CG-CG2 4.22Å; T373-V375 VanDerWaalsContact C-N 3.35Å; T373-V375 PolarHBondContact O-N 2.94Å; V375-V383 HydrophobicContact CG2-CB 4.17Å; V375-V383 HydrophobicContact CG2-CG1 3.87Å; V375-W385 HydrophobicContact CB-CE3 4.02Å; V375-W385 HydrophobicContact CG1-CE3 3.68Å; V375-W385 HydrophobicContact CG1-CZ3 4.16Å; V375-A416 HydrophobicContact CB-CB 4.46Å
376	A	98.1	Very high	97.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	154.4	168.8	0	0	0	0	0	110.9	V383 F384 T400 A415	A376-V383 CarbonylContact O-C 3.52Å; A376-V383 VanDerWaalsContact O-CA 3.32Å; A376-V383 WeakPolarHBondContact O-CA 3.14Å; A376-F384 HydrophobicContact CB-CB 4.15Å; A376-F384 HydrophobicContact CB-CD1 4.32Å; A376-F384 WeakPolarHBondContact CB-O 3.12Å; A376-F384 PolarHBondContact N-O 2.81Å; A376-F384 PolarHBondContact O-N 3.14Å; A376-T400 CarbonylContact C-O 3.31Å; A376-T400 VanDerWaalsContact CA-O 3.27Å; A376-T400 WeakPolarHBondContact CA-O 3.47Å; A376-T400 WeakPolarHBondContact CB-O 3.43Å; A376-A415 HydrophobicContact CB-CB 3.84Å; A376-A415 WeakPolarHBondContact CB-O 3.47Å
377	E	97.9	Very high	97.2	Very high	44 Å²	44	23.7 Å²	23.7	21%	0.206	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130.7	174.7	-177.2	-178.1	179.4	0	0	109	L83 L91 R93 G382 M399 T400	L83-E377 HydrophobicContact CD2-CG 4.24Å; L91-E377 HydrophobicContact CD2-CB 3.82Å; L91-E377 HydrophobicContact CD2-CG 4.41Å; R93-E377 IonicContact CZ-OE2 3.26Å; R93-E377 IonicContact NH1-OE2 2.71Å; R93-E377 IonicContact NH2-OE2 2.6Å; R93-E377 PolarHBondContact NH2-OE2 2.93Å; E377-G382 WeakPolarHBondContact CA-O 3.3Å; E377-M399 CarbonylContact O-C 3.25Å; E377-M399 WeakPolarHBondContact O-CA 3.46Å; E377-M399 WeakPolarHBondContact O-CB 3.24Å; E377-T400 PolarHBondContact N-O 2.95Å; E377-T400 PolarHBondContact O-N 2.81Å
378	T	97.5	Very high	97.2	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.031	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	150.1	174.5	58.1	0	0	0	0	110.5	D380 G381 G382 F384 L392 M399	T378-D380 VanDerWaalsContact CB-OD1 3.25Å; T378-D380 WeakPolarHBondContact CB-OD1 3.32Å; T378-D380 PolarHBondContact O-N 3.49Å; T378-D380 PolarHBondContact OG1-OD1 3.36Å; T378-G381 PolarHBondContact O-N 3.12Å; T378-G382 PolarHBondContact N-O 2.97Å; T378-G382 VanDerWaalsContact OG1-C 3.25Å; T378-G382 WeakPolarHBondContact OG1-CA 3.43Å; T378-G382 PolarHBondContact OG1-N 3.32Å; T378-G382 PolarHBondContact OG1-O 3.01Å; T378-F384 HydrophobicContact CG2-CB 3.92Å; T378-L392 HydrophobicContact CG2-CD2 4.38Å; T378-M399 HydrophobicContact CG2-CE 4.15Å; T378-M399 HydrophobicContact CG2-CG 4.18Å; T378-M399 HydrophobicContact CG2-SD 4.38Å
379	A	96	Very high	97.1	Very high	80 Å²	80	21.5 Å²	21.5	66%	0.661	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.1	-177.4	0	0	0	0	0	114.6	G381 I397 Q398	A379-G381 VanDerWaalsContact C-N 3.3Å; A379-I397 HydrophobicContact CB-CG1 4.27Å; A379-Q398 HydrophobicContact CB-CB 4.12Å; A379-Q398 VanDerWaalsContact CB-O 3.3Å; A379-Q398 WeakPolarHBondContact CB-O 3.42Å; A379-Q398 PolarHBondContact N-O 3.34Å
380	D	95.2	Very high	96.9	Very high	73 Å²	73	28.4 Å²	28.4	39%	0.39	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	10.9	173	68.3	-13.9	0	0	0	113.5	K85 T378 I397	K85-D380 WeakPolarHBondContact CE-OD2 3.43Å; K85-D380 IonicContact NZ-OD1 3.09Å; K85-D380 IonicContact NZ-OD2 3.68Å; K85-D380 PolarHBondContact NZ-OD2 3.45Å; T378-D380 VanDerWaalsContact CB-OD1 3.25Å; T378-D380 WeakPolarHBondContact CB-OD1 3.32Å; T378-D380 PolarHBondContact O-N 3.49Å; T378-D380 PolarHBondContact OG1-OD1 3.36Å; D380-I397 HydrophobicContact CB-CD1 4.06Å; D380-I397 WeakPolarHBondContact OD1-CD1 3.38Å
381	G	95.3	Very high	96.6	Very high	6 Å²	6	31.6 Å²	31.6	6%	0.062	17%	0.173	C	C	.	.	S	Bend	trans	81.5	24.1	173.6	0	0	0	0	0	115.3	L83 K85 T378 A379	L83-G381 CarbonylContact C-O 3.56Å; L83-G381 WeakPolarHBondContact CA-O 3.23Å; K85-G381 VanDerWaalsContact CB-O 3.31Å; K85-G381 WeakPolarHBondContact CB-O 3.25Å; K85-G381 PolarHBondContact N-O 3.1Å; K85-G381 VanDerWaalsContact N-O 3.13Å; T378-G381 PolarHBondContact O-N 3.12Å; A379-G381 VanDerWaalsContact C-N 3.3Å
382	G	96.3	Very high	96.3	Very high	3 Å²	3	32.9 Å²	32.9	3%	0.031	18%	0.18	C	C	.	.			trans	-103	-165.5	171.8	0	0	0	0	0	112.8	E377 T378	E377-G382 WeakPolarHBondContact CA-O 3.3Å; T378-G382 PolarHBondContact N-O 2.97Å; T378-G382 VanDerWaalsContact OG1-C 3.25Å; T378-G382 WeakPolarHBondContact OG1-CA 3.43Å; T378-G382 PolarHBondContact OG1-N 3.32Å; T378-G382 PolarHBondContact OG1-O 3.01Å
383	V	97.5	Very high	96	Very high	12 Å²	12	42.8 Å²	42.8	7%	0.073	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	153.6	-179.4	-67.3	0	0	0	0	111.6	L83 M86 F372 V375 A376 W385	L83-V383 HydrophobicContact CD1-CG1 3.6Å; L83-V383 HydrophobicContact CD2-CG1 3.98Å; L83-V383 HydrophobicContact CG-CG1 4.43Å; M86-V383 HydrophobicContact CE-CG2 4.33Å; M86-V383 HydrophobicContact SD-CG1 4.05Å; M86-V383 HydrophobicContact SD-CG2 4.03Å; F372-V383 HydrophobicContact CD1-CG1 4.35Å; F372-V383 HydrophobicContact CD2-CG1 4.17Å; F372-V383 HydrophobicContact CE1-CG2 4.33Å; F372-V383 HydrophobicContact CE2-CG1 4.42Å; F372-V383 HydrophobicContact CG-CG1 4.14Å; F372-V383 HydrophobicContact CZ-CG2 4.38Å; V375-V383 HydrophobicContact CG2-CB 4.17Å; V375-V383 HydrophobicContact CG2-CG1 3.87Å; A376-V383 CarbonylContact O-C 3.52Å; A376-V383 VanDerWaalsContact O-CA 3.32Å; A376-V383 WeakPolarHBondContact O-CA 3.14Å; V383-W385 HydrophobicContact CB-CE3 4.37Å; V383-W385 HydrophobicContact CB-CZ3 3.88Å; V383-W385 HydrophobicContact CG2-CE3 4.32Å; V383-W385 HydrophobicContact CG2-CH2 3.94Å; V383-W385 HydrophobicContact CG2-CZ3 3.47Å; V383-W385 VanDerWaalsContact CG2-CZ3 3.47Å
384	F	97.8	Very high	95.8	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.4	171.8	179	-95.3	0	0	0	111.6	A376 T378 M388 E389 L392 M399 W407 I409 A415	A376-F384 HydrophobicContact CB-CB 4.15Å; A376-F384 HydrophobicContact CB-CD1 4.32Å; A376-F384 WeakPolarHBondContact CB-O 3.12Å; A376-F384 PolarHBondContact N-O 2.81Å; A376-F384 PolarHBondContact O-N 3.14Å; T378-F384 HydrophobicContact CG2-CB 3.92Å; F384-M388 HydrophobicContact CD2-CB 3.89Å; F384-M388 HydrophobicContact CE2-CB 3.9Å; F384-E389 HydrophobicContact CZ-CG 4.18Å; F384-L392 HydrophobicContact CD2-CD1 3.88Å; F384-L392 HydrophobicContact CD2-CD2 3.95Å; F384-L392 HydrophobicContact CD2-CG 4.08Å; F384-L392 HydrophobicContact CE2-CD1 3.69Å; F384-L392 HydrophobicContact CE2-CG 4.16Å; F384-M399 HydrophobicContact CB-CE 4.11Å; F384-M399 HydrophobicContact CB-SD 3.7Å; F384-M399 HydrophobicContact CD1-CE 4.1Å; F384-M399 HydrophobicContact CD1-SD 3.44Å; F384-M399 WeakPolarHBondContact CD1-SD 3.43Å; F384-M399 HydrophobicContact CD2-CE 3.84Å; F384-M399 HydrophobicContact CD2-SD 4.23Å; F384-M399 HydrophobicContact CE1-SD 4.12Å; F384-M399 HydrophobicContact CE2-CE 4.29Å; F384-M399 HydrophobicContact CG-CE 3.73Å; F384-M399 HydrophobicContact CG-SD 3.51Å; F384-M399 VanDerWaalsContact CG-SD 3.51Å; F384-W407 HydrophobicContact CD1-CZ3 4.02Å; F384-W407 AromaticContact CE1-CH2 3.75Å; F384-W407 HydrophobicContact CE1-CH2 3.75Å; F384-W407 AromaticContact CE1-CZ3 3.56Å; F384-W407 HydrophobicContact CE1-CZ3 3.56Å; F384-W407 HydrophobicContact CZ-CH2 4.42Å; F384-W407 HydrophobicContact CZ-CZ3 4.38Å; F384-I409 HydrophobicContact CZ-CG1 4.33Å; F384-A415 HydrophobicContact CD1-CB 3.56Å; F384-A415 HydrophobicContact CE1-CB 3.64Å
385	W	97.6	Very high	95.5	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.			trans	-153.9	163.8	168.8	50.3	74.2	0	0	0	109.6	A351 P352 T354 M363 F372 V375 V383 G387 M388 A416	A351-W385 HydrophobicContact CB-CD2 3.78Å; A351-W385 HydrophobicContact CB-CE3 3.79Å; A351-W385 HydrophobicContact CB-CG 4.27Å; A351-W385 HydrophobicContact CB-CH2 4.46Å; A351-W385 HydrophobicContact CB-CZ2 4.46Å; A351-W385 HydrophobicContact CB-CZ3 4.13Å; A351-W385 VanDerWaalsContact O-CD1 3.31Å; A351-W385 PolarHBondContact O-NE1 2.81Å; P352-W385 HydrophobicContact CG-CB 4.43Å; T354-W385 PolarHBondContact O-NE1 3.45Å; M363-W385 HydrophobicContact CE-CZ2 4.38Å; M363-W385 HydrophobicContact SD-CZ2 3.87Å; F372-W385 AromaticContact CD1-CZ3 3.95Å; F372-W385 HydrophobicContact CD1-CZ3 3.95Å; F372-W385 AromaticContact CE1-CH2 3.84Å; F372-W385 HydrophobicContact CE1-CH2 3.84Å; F372-W385 AromaticContact CE1-CZ3 3.69Å; F372-W385 HydrophobicContact CE1-CZ3 3.69Å; V375-W385 HydrophobicContact CB-CE3 4.02Å; V375-W385 HydrophobicContact CG1-CE3 3.68Å; V375-W385 HydrophobicContact CG1-CZ3 4.16Å; V383-W385 HydrophobicContact CB-CE3 4.37Å; V383-W385 HydrophobicContact CB-CZ3 3.88Å; V383-W385 HydrophobicContact CG2-CE3 4.32Å; V383-W385 HydrophobicContact CG2-CH2 3.94Å; V383-W385 HydrophobicContact CG2-CZ3 3.47Å; V383-W385 VanDerWaalsContact CG2-CZ3 3.47Å; W385-G387 PolarHBondContact O-N 2.89Å; W385-M388 HydrophobicContact CD2-CG 4.3Å; W385-M388 HydrophobicContact CD2-SD 3.46Å; W385-M388 HydrophobicContact CE3-SD 3.95Å; W385-M388 HydrophobicContact CG-CG 4.25Å; W385-M388 HydrophobicContact CG-SD 3.92Å; W385-M388 HydrophobicContact CH2-SD 3.98Å; W385-M388 HydrophobicContact CZ2-CG 4.38Å; W385-M388 HydrophobicContact CZ2-SD 3.48Å; W385-M388 WeakPolarHBondContact CZ2-SD 3.26Å; W385-M388 HydrophobicContact CZ3-SD 4.19Å; W385-M388 VanDerWaalsContact NE1-CG 3.34Å; W385-M388 PolarHBondContact NE1-SD 3.09Å; W385-M388 VanDerWaalsContact NE1-SD 3.42Å; W385-M388 WeakPolarHBondContact O-CB 3.35Å; W385-M388 PolarHBondContact O-N 3.16Å; W385-M388 VanDerWaalsContact O-N 3.14Å; W385-A416 HydrophobicContact CB-CB 3.54Å
386	E	96.5	Very high	95.2	Very high	35 Å²	35	56 Å²	56	16%	0.164	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	127.3	176.3	-73.2	72.7	-171.5	0	0	111.3	G353 K414 A415 A416	G353-E386 PolarHBondContact N-O 3.22Å; E386-K414 HydrophobicContact CG-CD 4Å; E386-K414 WeakPolarHBondContact OE1-CA 3.08Å; E386-K414 WeakPolarHBondContact OE1-CB 3.14Å; E386-K414 WeakPolarHBondContact OE1-CD 3.31Å; E386-A415 PolarHBondContact OE1-N 2.82Å; E386-A416 PolarHBondContact OE2-N 3.32Å
387	G	94.3	Very high	95.1	Very high	33 Å²	33	57.1 Å²	57.1	34%	0.34	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.1	-9.2	-174.1	0	0	0	0	0	114.9	W385 E389	W385-G387 PolarHBondContact O-N 2.89Å; G387-E389 VanDerWaalsContact C-OE2 3.23Å; G387-E389 WeakPolarHBondContact CA-OE2 3.17Å; G387-E389 PolarHBondContact N-OE1 3.06Å; G387-E389 PolarHBondContact N-OE2 2.76Å
388	M	95.4	Very high	95	Very high	13 Å²	13	60.6 Å²	60.6	6%	0.064	32%	0.32	C	S	.	.			trans	-97.4	8.5	175.2	-67.9	-176.8	71.7	0	0	114	M363 F384 W385 K390 E391	M363-M388 HydrophobicContact CE-CE 3.74Å; M363-M388 HydrophobicContact CE-SD 4.47Å; F384-M388 HydrophobicContact CD2-CB 3.89Å; F384-M388 HydrophobicContact CE2-CB 3.9Å; W385-M388 HydrophobicContact CD2-CG 4.3Å; W385-M388 HydrophobicContact CD2-SD 3.46Å; W385-M388 HydrophobicContact CE3-SD 3.95Å; W385-M388 HydrophobicContact CG-CG 4.25Å; W385-M388 HydrophobicContact CG-SD 3.92Å; W385-M388 HydrophobicContact CH2-SD 3.98Å; W385-M388 HydrophobicContact CZ2-CG 4.38Å; W385-M388 HydrophobicContact CZ2-SD 3.48Å; W385-M388 WeakPolarHBondContact CZ2-SD 3.26Å; W385-M388 HydrophobicContact CZ3-SD 4.19Å; W385-M388 VanDerWaalsContact NE1-CG 3.34Å; W385-M388 PolarHBondContact NE1-SD 3.09Å; W385-M388 VanDerWaalsContact NE1-SD 3.42Å; W385-M388 WeakPolarHBondContact O-CB 3.35Å; W385-M388 PolarHBondContact O-N 3.16Å; W385-M388 VanDerWaalsContact O-N 3.14Å; M388-K390 PolarHBondContact O-N 3.47Å; M388-E391 HydrophobicContact CB-CB 4.28Å; M388-E391 HydrophobicContact CB-CG 4.22Å; M388-E391 HydrophobicContact CE-CB 4.35Å; M388-E391 HydrophobicContact CG-CG 4.47Å; M388-E391 VanDerWaalsContact O-CB 3.31Å; M388-E391 WeakPolarHBondContact O-CB 3.3Å; M388-E391 PolarHBondContact O-N 3.24Å
389	E	94.8	Very high	95	Very high	88 Å²	88	60.7 Å²	60.7	41%	0.411	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-31	-172.6	-63	78.5	-174.3	0	0	112.5	F384 G387	F384-E389 HydrophobicContact CZ-CG 4.18Å; G387-E389 VanDerWaalsContact C-OE2 3.23Å; G387-E389 WeakPolarHBondContact CA-OE2 3.17Å; G387-E389 PolarHBondContact N-OE1 3.06Å; G387-E389 PolarHBondContact N-OE2 2.76Å
390	K	93.2	Very high	95.1	Very high	199 Å²	199	59.2 Å²	59.2	87%	0.865	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-8.2	177.9	-63.2	-173.4	177.6	-171.4	0	114.5	M388	M388-K390 PolarHBondContact O-N 3.47Å
391	E	91.9	Very high	95.2	Very high	67 Å²	67	56.1 Å²	56.1	31%	0.313	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-16.5	179.7	-56.4	-73.1	178.3	0	0	111.6	H356 M388 K393	H356-E391 VanDerWaalsContact CB-OE1 3.32Å; H356-E391 WeakPolarHBondContact CB-OE1 3.42Å; H356-E391 IonicContact CE1-OE2 2.78Å; H356-E391 IonicContact CG-OE1 2.74Å; H356-E391 IonicContact CG-OE2 2.76Å; H356-E391 PolarHBondContact N-OE1 3.25Å; H356-E391 IonicContact ND1-OE1 3.59Å; H356-E391 PolarHBondContact ND1-OE1 3.16Å; H356-E391 IonicContact ND1-OE2 3.49Å; H356-E391 PolarHBondContact ND1-OE2 2.97Å; M388-E391 HydrophobicContact CB-CB 4.28Å; M388-E391 HydrophobicContact CB-CG 4.22Å; M388-E391 HydrophobicContact CE-CB 4.35Å; M388-E391 HydrophobicContact CG-CG 4.47Å; M388-E391 VanDerWaalsContact O-CB 3.31Å; M388-E391 WeakPolarHBondContact O-CB 3.3Å; M388-E391 PolarHBondContact O-N 3.24Å; E391-K393 PolarHBondContact O-N 3.32Å
392	L	92.7	Very high	95.4	Very high	31 Å²	31	57 Å²	57	16%	0.162	29%	0.288	C	S	.	.			trans	-74.1	125.6	179.2	-63.9	173.6	0	0	0	110.6	T378 F384 I397 M399 I409	T378-L392 HydrophobicContact CG2-CD2 4.38Å; F384-L392 HydrophobicContact CD2-CD1 3.88Å; F384-L392 HydrophobicContact CD2-CD2 3.95Å; F384-L392 HydrophobicContact CD2-CG 4.08Å; F384-L392 HydrophobicContact CE2-CD1 3.69Å; F384-L392 HydrophobicContact CE2-CG 4.16Å; L392-I397 HydrophobicContact CD1-CG2 4.49Å; L392-I397 HydrophobicContact CD2-CG2 4.22Å; L392-M399 HydrophobicContact CD1-CE 3.44Å; L392-M399 VanDerWaalsContact CD1-CE 3.44Å; L392-M399 HydrophobicContact CD2-CE 3.93Å; L392-M399 HydrophobicContact CG-CE 4.34Å; L392-I409 HydrophobicContact CD1-CD1 3.42Å; L392-I409 VanDerWaalsContact CD1-CD1 3.42Å
393	K	91.9	Very high	95.4	Very high	209 Å²	209	60 Å²	60	91%	0.909	30%	0.303	S	S	*	.	S	Bend	trans	-67.1	-38.1	171.6	-66.2	-175.3	-180	-179.3	0	111.9	E391	E391-K393 PolarHBondContact O-N 3.32Å
394	D	94.6	Very high	95.3	Very high	77 Å²	77	61.4 Å²	61.4	41%	0.412	32%	0.32	S	S	.	.			trans	-117.4	109.3	172.8	176.2	12.3	0	0	0	109.3	N396 I397	D394-N396 PolarHBondContact O-N 3.47Å; D394-N396 WeakPolarHBondContact OD1-CB 3.47Å; D394-N396 PolarHBondContact OD1-N 3.46Å; D394-I397 HydrophobicContact CB-CB 4.32Å; D394-I397 WeakPolarHBondContact O-CB 3.45Å; D394-I397 VanDerWaalsContact O-CG2 3.24Å; D394-I397 WeakPolarHBondContact O-CG2 3.44Å; D394-I397 PolarHBondContact O-N 2.86Å; D394-I397 PolarHBondContact OD2-N 3.11Å
395	P	91.6	Very high	95.3	Very high	74 Å²	74	66.4 Å²	66.4	48%	0.481	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-11.5	178.4	28.1	-34.2	0	0	0	113.6
396	N	94.1	Very high	95.2	Very high	125 Å²	125	71.1 Å²	71.1	67%	0.668	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	4.8	178.1	-59.1	-59.4	0	0	0	113.4	D394 Q398	D394-N396 PolarHBondContact O-N 3.47Å; D394-N396 WeakPolarHBondContact OD1-CB 3.47Å; D394-N396 PolarHBondContact OD1-N 3.46Å; N396-Q398 PolarHBondContact O-N 3.21Å; N396-Q398 PolarHBondContact O-NE2 3.33Å
397	I	96.1	Very high	95.3	Very high	25 Å²	25	70.2 Å²	70.2	13%	0.128	37%	0.369	C	S	.	.			trans	-54.1	133.1	178.3	-167.9	166.8	0	0	0	110.1	A379 D380 L392 D394 M399	A379-I397 HydrophobicContact CB-CG1 4.27Å; D380-I397 HydrophobicContact CB-CD1 4.06Å; D380-I397 WeakPolarHBondContact OD1-CD1 3.38Å; L392-I397 HydrophobicContact CD1-CG2 4.49Å; L392-I397 HydrophobicContact CD2-CG2 4.22Å; D394-I397 HydrophobicContact CB-CB 4.32Å; D394-I397 WeakPolarHBondContact O-CB 3.45Å; D394-I397 VanDerWaalsContact O-CG2 3.24Å; D394-I397 WeakPolarHBondContact O-CG2 3.44Å; D394-I397 PolarHBondContact O-N 2.86Å; D394-I397 PolarHBondContact OD2-N 3.11Å; I397-M399 HydrophobicContact CG2-CE 3.54Å; I397-M399 HydrophobicContact CG2-CG 4.45Å
398	Q	95.7	Very high	95.3	Very high	117 Å²	117	74.1 Å²	74.1	55%	0.547	38%	0.376	S	S	.	.			trans	-68	144.7	176.6	-61	-56.8	-66.8	0	0	109.8	A379 N396	A379-Q398 HydrophobicContact CB-CB 4.12Å; A379-Q398 VanDerWaalsContact CB-O 3.3Å; A379-Q398 WeakPolarHBondContact CB-O 3.42Å; A379-Q398 PolarHBondContact N-O 3.34Å; N396-Q398 PolarHBondContact O-N 3.21Å; N396-Q398 PolarHBondContact O-NE2 3.33Å
399	M	97.4	Very high	95.2	Very high	6 Å²	6	76.8 Å²	76.8	3%	0.03	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.3	178.8	-54.6	-179.8	-173.2	0	0	111	E377 T378 F384 L392 I397 W407	E377-M399 CarbonylContact O-C 3.25Å; E377-M399 WeakPolarHBondContact O-CA 3.46Å; E377-M399 WeakPolarHBondContact O-CB 3.24Å; T378-M399 HydrophobicContact CG2-CE 4.15Å; T378-M399 HydrophobicContact CG2-CG 4.18Å; T378-M399 HydrophobicContact CG2-SD 4.38Å; F384-M399 HydrophobicContact CB-CE 4.11Å; F384-M399 HydrophobicContact CB-SD 3.7Å; F384-M399 HydrophobicContact CD1-CE 4.1Å; F384-M399 HydrophobicContact CD1-SD 3.44Å; F384-M399 WeakPolarHBondContact CD1-SD 3.43Å; F384-M399 HydrophobicContact CD2-CE 3.84Å; F384-M399 HydrophobicContact CD2-SD 4.23Å; F384-M399 HydrophobicContact CE1-SD 4.12Å; F384-M399 HydrophobicContact CE2-CE 4.29Å; F384-M399 HydrophobicContact CG-CE 3.73Å; F384-M399 HydrophobicContact CG-SD 3.51Å; F384-M399 VanDerWaalsContact CG-SD 3.51Å; L392-M399 HydrophobicContact CD1-CE 3.44Å; L392-M399 VanDerWaalsContact CD1-CE 3.44Å; L392-M399 HydrophobicContact CD2-CE 3.93Å; L392-M399 HydrophobicContact CG-CE 4.34Å; I397-M399 HydrophobicContact CG2-CE 3.54Å; I397-M399 HydrophobicContact CG2-CG 4.45Å; M399-W407 HydrophobicContact CB-CE3 4.34Å; M399-W407 WeakPolarHBondContact CB-O 3.15Å; M399-W407 PolarHBondContact N-O 3.18Å; M399-W407 VanDerWaalsContact N-O 3.16Å; M399-W407 PolarHBondContact O-N 3.39Å; M399-W407 VanDerWaalsContact O-O 3.1Å; M399-W407 HydrophobicContact SD-CE3 3.88Å; M399-W407 HydrophobicContact SD-CZ3 3.77Å
400	T	97.7	Very high	95	Very high	49 Å²	49	76.4 Å²	76.4	30%	0.301	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.3	166	-57.2	0	0	0	0	107.7	A376 E377 G404 E405	A376-T400 CarbonylContact C-O 3.31Å; A376-T400 VanDerWaalsContact CA-O 3.27Å; A376-T400 WeakPolarHBondContact CA-O 3.47Å; A376-T400 WeakPolarHBondContact CB-O 3.43Å; E377-T400 PolarHBondContact N-O 2.95Å; E377-T400 PolarHBondContact O-N 2.81Å; T400-G404 VanDerWaalsContact CG2-C 3.44Å; T400-E405 CarbonylContact C-O 3.56Å; T400-E405 WeakPolarHBondContact CA-O 3.24Å
401	N	97.9	Very high	95	Very high	8 Å²	8	71 Å²	71	4%	0.043	39%	0.387	C	S	.	.			trans	-66.6	175.1	178.9	71.8	13.6	0	0	0	111.6	R93 L403 G404 E405 W407 A415	R93-N401 PolarHBondContact NE-O 3.13Å; N401-L403 PolarHBondContact O-N 3.25Å; N401-L403 WeakPolarHBondContact OD1-CA 3.23Å; N401-L403 WeakPolarHBondContact OD1-CB 3.17Å; N401-L403 PolarHBondContact OD1-N 3.28Å; N401-G404 PolarHBondContact O-N 3.26Å; N401-G404 PolarHBondContact OD1-N 3.02Å; N401-G404 VanDerWaalsContact OD1-N 3.09Å; N401-E405 PolarHBondContact N-O 3.17Å; N401-E405 PolarHBondContact ND2-OE2 3.37Å; N401-E405 PolarHBondContact OD1-N 2.93Å; N401-E405 PolarHBondContact OD1-O 2.9Å; N401-W407 HydrophobicContact CB-CB 3.83Å; N401-W407 HydrophobicContact CB-CG 4.21Å; N401-A415 CarbonylContact C-O 3.47Å; N401-A415 WeakPolarHBondContact CA-O 3.36Å; N401-A415 WeakPolarHBondContact CB-O 3.42Å
402	W	97.8	Very high	95	Very high	26 Å²	26	76.8 Å²	76.8	10%	0.098	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.6	179.2	76	-81.6	0	0	0	114.6	R93 P96 V99 N374 G404 A415 A416 H417	R93-W402 WeakPolarHBondContact CD-O 3.42Å; R93-W402 WeakPolarHBondContact CG-O 3.38Å; P96-W402 HydrophobicContact CB-CH2 3.88Å; P96-W402 HydrophobicContact CB-CZ3 4.32Å; P96-W402 HydrophobicContact CG-CH2 4.18Å; P96-W402 HydrophobicContact CG-CZ3 4.3Å; V99-W402 HydrophobicContact CG1-CH2 3.97Å; V99-W402 HydrophobicContact CG1-CZ3 3.72Å; N374-W402 VanDerWaalsContact C-CB 3.44Å; N374-W402 HydrophobicContact CB-CB 4.12Å; N374-W402 HydrophobicContact CB-CD2 4.38Å; N374-W402 HydrophobicContact CB-CE3 3.89Å; N374-W402 WeakPolarHBondContact O-CB 3.38Å; W402-G404 VanDerWaalsContact C-N 3.31Å; W402-A415 PolarHBondContact N-O 3.12Å; W402-A416 VanDerWaalsContact CD1-C 3.46Å; W402-H417 HydrophobicContact CD2-CB 3.81Å; W402-H417 HydrophobicContact CE3-CB 4.07Å; W402-H417 HydrophobicContact CG-CB 4.19Å; W402-H417 HydrophobicContact CH2-CB 4.5Å; W402-H417 AromaticContact CH2-CD2 3.69Å; W402-H417 HydrophobicContact CZ2-CB 4.3Å; W402-H417 AromaticContact CZ2-CD2 3.66Å; W402-H417 HydrophobicContact CZ3-CB 4.4Å
403	L	97.1	Very high	95	Very high	65 Å²	65	77.8 Å²	77.8	34%	0.34	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.5	173.2	-64.9	172.7	0	0	0	112.8	P96 N401 E405	P96-L403 HydrophobicContact CB-CD2 4.31Å; P96-L403 HydrophobicContact CG-CD2 3.5Å; P96-L403 VanDerWaalsContact CG-CD2 3.5Å; N401-L403 PolarHBondContact O-N 3.25Å; N401-L403 WeakPolarHBondContact OD1-CA 3.23Å; N401-L403 WeakPolarHBondContact OD1-CB 3.17Å; N401-L403 PolarHBondContact OD1-N 3.28Å; L403-E405 HydrophobicContact CB-CG 4.22Å
404	G	96	Very high	95.1	Very high	42 Å²	42	73.4 Å²	73.4	43%	0.433	41%	0.414	S	S	.	.	S	Bend	trans	86	19	-177.3	0	0	0	0	0	114	T400 N401 W402	T400-G404 VanDerWaalsContact CG2-C 3.44Å; N401-G404 PolarHBondContact O-N 3.26Å; N401-G404 PolarHBondContact OD1-N 3.02Å; N401-G404 VanDerWaalsContact OD1-N 3.09Å; W402-G404 VanDerWaalsContact C-N 3.31Å
405	E	96.4	Very high	95.3	Very high	106 Å²	106	69.7 Å²	69.7	50%	0.495	39%	0.394	S	S	.	.	S	Bend	trans	-109.4	148.1	-176.4	-54.4	168.2	155.8	0	0	111.2	T400 N401 L403 W407	T400-E405 CarbonylContact C-O 3.56Å; T400-E405 WeakPolarHBondContact CA-O 3.24Å; N401-E405 PolarHBondContact N-O 3.17Å; N401-E405 PolarHBondContact ND2-OE2 3.37Å; N401-E405 PolarHBondContact OD1-N 2.93Å; N401-E405 PolarHBondContact OD1-O 2.9Å; L403-E405 HydrophobicContact CB-CG 4.22Å; E405-W407 PolarHBondContact O-N 3.28Å
406	P	97.3	Very high	95.6	Very high	99 Å²	99	66.2 Å²	66.2	64%	0.643	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.1	131.7	171.9	-24.8	34.4	0	0	0	112.1	Q411	P406-Q411 PolarHBondContact O-NE2 2.78Å
407	W	97.4	Very high	95.7	Very high	15 Å²	15	61.5 Å²	61.5	6%	0.057	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	149.1	-178.7	-173.3	91.1	0	0	0	111.2	F384 M399 N401 E405 I409 A415	F384-W407 HydrophobicContact CD1-CZ3 4.02Å; F384-W407 AromaticContact CE1-CH2 3.75Å; F384-W407 HydrophobicContact CE1-CH2 3.75Å; F384-W407 AromaticContact CE1-CZ3 3.56Å; F384-W407 HydrophobicContact CE1-CZ3 3.56Å; F384-W407 HydrophobicContact CZ-CH2 4.42Å; F384-W407 HydrophobicContact CZ-CZ3 4.38Å; M399-W407 HydrophobicContact CB-CE3 4.34Å; M399-W407 WeakPolarHBondContact CB-O 3.15Å; M399-W407 PolarHBondContact N-O 3.18Å; M399-W407 VanDerWaalsContact N-O 3.16Å; M399-W407 PolarHBondContact O-N 3.39Å; M399-W407 VanDerWaalsContact O-O 3.1Å; M399-W407 HydrophobicContact SD-CE3 3.88Å; M399-W407 HydrophobicContact SD-CZ3 3.77Å; N401-W407 HydrophobicContact CB-CB 3.83Å; N401-W407 HydrophobicContact CB-CG 4.21Å; E405-W407 PolarHBondContact O-N 3.28Å; W407-I409 HydrophobicContact CH2-CB 4.37Å; W407-I409 HydrophobicContact CH2-CG1 3.99Å; W407-I409 HydrophobicContact CZ3-CG1 3.93Å; W407-A415 HydrophobicContact CD2-CB 3.84Å; W407-A415 HydrophobicContact CE3-CB 3.66Å; W407-A415 HydrophobicContact CH2-CB 3.76Å; W407-A415 HydrophobicContact CZ2-CB 3.94Å; W407-A415 HydrophobicContact CZ3-CB 3.63Å
408	K	94.4	Very high	95.6	Very high	116 Å²	116	63.4 Å²	63.4	50%	0.504	36%	0.359	S	S	.	.			trans	-139.8	158	172.5	63.9	-178.2	179.1	-179	0	110.7	G410 Q411	K408-G410 PolarHBondContact O-N 2.94Å; K408-Q411 HydrophobicContact CG-CB 4.2Å; K408-Q411 WeakPolarHBondContact O-CB 3.2Å; K408-Q411 PolarHBondContact O-N 2.78Å
409	I	93.7	Very high	95.5	Very high	68 Å²	68	58 Å²	58	35%	0.349	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	132.3	176.6	-65.5	167.3	0	0	0	110.1	F384 L392 W407 Q411	F384-I409 HydrophobicContact CZ-CG1 4.33Å; L392-I409 HydrophobicContact CD1-CD1 3.42Å; L392-I409 VanDerWaalsContact CD1-CD1 3.42Å; W407-I409 HydrophobicContact CH2-CB 4.37Å; W407-I409 HydrophobicContact CH2-CG1 3.99Å; W407-I409 HydrophobicContact CZ3-CG1 3.93Å; I409-Q411 VanDerWaalsContact C-N 3.34Å
410	G	90.4	Very high	95.5	Very high	80 Å²	80	57.8 Å²	57.8	83%	0.825	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-9	-177.7	0	0	0	0	0	115.1	K408	K408-G410 PolarHBondContact O-N 2.94Å
411	Q	92.8	Very high	95.5	Very high	85 Å²	85	56.9 Å²	56.9	40%	0.397	32%	0.324	S	S	.	.	S	Bend	trans	-70.4	146	171.6	-173.1	172.9	-27.7	0	0	110.9	P406 K408 I409	P406-Q411 PolarHBondContact O-NE2 2.78Å; K408-Q411 HydrophobicContact CG-CB 4.2Å; K408-Q411 WeakPolarHBondContact O-CB 3.2Å; K408-Q411 PolarHBondContact O-N 2.78Å; I409-Q411 VanDerWaalsContact C-N 3.34Å
412	Q	92.2	Very high	95.5	Very high	189 Å²	189	56.6 Å²	56.6	88%	0.883	32%	0.322	S	S	*	.	S	Bend	trans	-58.7	143.4	175.3	-168.2	-179.5	-6	0	0	111
413	G	92.3	Very high	95.6	Very high	53 Å²	53	55.3 Å²	55.3	55%	0.546	32%	0.318	S	S	.	.	S	Bend	trans	100.5	-169.4	-175.4	0	0	0	0	0	112.5
414	K	94.9	Very high	95.7	Very high	116 Å²	116	52.3 Å²	52.3	50%	0.504	30%	0.302	S	S	.	.			trans	-120.9	140.1	179.1	-65.5	-67.7	-179	-175.8	0	109.8	E386 A416	E386-K414 HydrophobicContact CG-CD 4Å; E386-K414 WeakPolarHBondContact OE1-CA 3.08Å; E386-K414 WeakPolarHBondContact OE1-CB 3.14Å; E386-K414 WeakPolarHBondContact OE1-CD 3.31Å; K414-A416 WeakPolarHBondContact CB-O 3.34Å
415	A	97.5	Very high	95.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-68.3	-46.3	176.6	0	0	0	0	0	110.2	A376 F384 E386 N401 W402 W407	A376-A415 HydrophobicContact CB-CB 3.84Å; A376-A415 WeakPolarHBondContact CB-O 3.47Å; F384-A415 HydrophobicContact CD1-CB 3.56Å; F384-A415 HydrophobicContact CE1-CB 3.64Å; E386-A415 PolarHBondContact OE1-N 2.82Å; N401-A415 CarbonylContact C-O 3.47Å; N401-A415 WeakPolarHBondContact CA-O 3.36Å; N401-A415 WeakPolarHBondContact CB-O 3.42Å; W402-A415 PolarHBondContact N-O 3.12Å; W407-A415 HydrophobicContact CD2-CB 3.84Å; W407-A415 HydrophobicContact CE3-CB 3.66Å; W407-A415 HydrophobicContact CH2-CB 3.76Å; W407-A415 HydrophobicContact CZ2-CB 3.94Å; W407-A415 HydrophobicContact CZ3-CB 3.63Å
416	A	98.2	Very high	95.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-112.4	153.9	176	0	0	0	0	0	111.3	P352 N374 V375 W385 E386 W402 K414	P352-A416 HydrophobicContact CG-CB 4.48Å; N374-A416 WeakPolarHBondContact O-CA 3.23Å; V375-A416 HydrophobicContact CB-CB 4.46Å; W385-A416 HydrophobicContact CB-CB 3.54Å; E386-A416 PolarHBondContact OE2-N 3.32Å; W402-A416 VanDerWaalsContact CD1-C 3.46Å; K414-A416 WeakPolarHBondContact CB-O 3.34Å
417	H	96.9	Very high	95.9	Very high	27 Å²	27	47.3 Å²	47.3	13%	0.125	27%	0.265	C	S	.	.			trans	-63	139.3	169	-175.3	-101.4	0	0	0	109.1	V99 P352 N374 W402 N419 S420	V99-H417 WeakPolarHBondContact CG2-NE2 3.43Å; P352-H417 WeakPolarHBondContact CG-O 3.29Å; N374-H417 HydrophobicContact CB-CB 3.72Å; N374-H417 PolarHBondContact O-N 3.09Å; W402-H417 HydrophobicContact CD2-CB 3.81Å; W402-H417 HydrophobicContact CE3-CB 4.07Å; W402-H417 HydrophobicContact CG-CB 4.19Å; W402-H417 HydrophobicContact CH2-CB 4.5Å; W402-H417 AromaticContact CH2-CD2 3.69Å; W402-H417 HydrophobicContact CZ2-CB 4.3Å; W402-H417 AromaticContact CZ2-CD2 3.66Å; W402-H417 HydrophobicContact CZ3-CB 4.4Å; H417-N419 PolarHBondContact ND1-N 3.21Å; H417-N419 VanDerWaalsContact ND1-N 3.15Å; H417-N419 PolarHBondContact O-N 2.85Å; H417-S420 WeakPolarHBondContact O-CB 3.33Å; H417-S420 PolarHBondContact O-N 3.43Å; H417-S420 PolarHBondContact O-OG 2.82Å
418	P	93.9	Very high	95.9	Very high	65 Å²	65	47.9 Å²	47.9	42%	0.422	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.2	-179	-28.9	36.7	0	0	0	115.3	A482	P418-A482 HydrophobicContact CB-CB 3.71Å
419	N	94.2	Very high	96.1	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	28.9	174.3	-176.6	50.5	0	0	0	112	V99 Y250 H417 R421 A482	V99-N419 PolarHBondContact O-ND2 2.85Å; Y250-N419 PolarHBondContact OH-ND2 2.85Å; Y250-N419 PolarHBondContact OH-O 3.38Å; H417-N419 PolarHBondContact ND1-N 3.21Å; H417-N419 VanDerWaalsContact ND1-N 3.15Å; H417-N419 PolarHBondContact O-N 2.85Å; N419-R421 PolarHBondContact OD1-NE 3.15Å; N419-R421 PolarHBondContact OD1-NH2 3Å; N419-A482 HydrophobicContact CB-CB 4.35Å; N419-A482 WeakPolarHBondContact CB-O 3.23Å
420	S	97.3	Very high	96.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.254	C	S	.	.			trans	-62.2	153.6	167.2	54.9	0	0	0	0	111.1	A351 P352 T373 N374 H417	A351-S420 PolarHBondContact N-O 3.09Å; P352-S420 WeakPolarHBondContact CD-OG 3.47Å; P352-S420 VanDerWaalsContact CG-OG 3.31Å; P352-S420 WeakPolarHBondContact CG-OG 3.42Å; T373-S420 VanDerWaalsContact O-CA 3.31Å; T373-S420 WeakPolarHBondContact O-CA 3.21Å; T373-S420 WeakPolarHBondContact O-CB 3.34Å; N374-S420 VanDerWaalsContact C-CB 3.44Å; N374-S420 WeakPolarHBondContact O-CB 3.46Å; H417-S420 WeakPolarHBondContact O-CB 3.33Å; H417-S420 PolarHBondContact O-N 3.43Å; H417-S420 PolarHBondContact O-OG 2.82Å
421	R	98	Very high	96.7	Very high	30 Å²	30	41.2 Å²	41.2	11%	0.113	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.2	-165	-63.2	-76	179.5	155.8	-4.7	111.6	F348 G349 V350 F372 T373 N419	F348-R421 HydrophobicContact CD1-CG 4.17Å; F348-R421 HydrophobicContact CD2-CB 4.11Å; F348-R421 HydrophobicContact CD2-CG 4.46Å; F348-R421 HydrophobicContact CE1-CB 4.23Å; F348-R421 HydrophobicContact CE1-CG 3.58Å; F348-R421 HydrophobicContact CE2-CB 3.62Å; F348-R421 HydrophobicContact CE2-CG 3.92Å; F348-R421 HydrophobicContact CZ-CB 3.7Å; F348-R421 HydrophobicContact CZ-CG 3.45Å; F348-R421 VanDerWaalsContact CZ-CG 3.45Å; F348-R421 PolarHBondContact O-NH1 2.82Å; G349-R421 WeakPolarHBondContact O-CA 3.48Å; G349-R421 WeakPolarHBondContact O-CD 3.18Å; V350-R421 VanDerWaalsContact CG2-CZ 3.43Å; F372-R421 CarbonylContact C-O 3.58Å; F372-R421 WeakPolarHBondContact CA-O 3.44Å; T373-R421 PolarHBondContact N-O 2.95Å; T373-R421 PolarHBondContact O-N 2.99Å; N419-R421 PolarHBondContact OD1-NE 3.15Å; N419-R421 PolarHBondContact OD1-NH2 3Å
422	F	98.1	Very high	97	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.6	157.4	53.4	-99.5	0	0	0	108.7	F348 G349 A351 T354 A362 C366 T370 F372 T424	F348-F422 CarbonylContact C-O 3.53Å; F348-F422 WeakPolarHBondContact CA-O 3.23Å; G349-F422 PolarHBondContact N-O 2.74Å; G349-F422 PolarHBondContact O-N 2.79Å; A351-F422 HydrophobicContact CB-CD1 4.11Å; T354-F422 HydrophobicContact CG2-CE1 4.45Å; A362-F422 HydrophobicContact CB-CZ 4.24Å; C366-F422 HydrophobicContact CB-CB 4.24Å; C366-F422 HydrophobicContact CB-CD2 4.14Å; C366-F422 HydrophobicContact CB-CG 4.12Å; T370-F422 HydrophobicContact CG2-CB 3.89Å; F372-F422 HydrophobicContact CD1-CB 3.8Å; F372-F422 HydrophobicContact CE1-CB 3.68Å; F372-F422 HydrophobicContact CZ-CB 4.42Å; F422-T424 HydrophobicContact CD2-CG2 3.97Å; F422-T424 HydrophobicContact CE2-CG2 4.29Å
423	T	98.5	Very high	97.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	105.9	173.4	-45.2	0	0	0	0	107.5	C184 I187 M188 F347 F348 T370 I371	C184-T423 HydrophobicContact CB-CG2 4.3Å; I187-T423 HydrophobicContact CB-CG2 4.08Å; I187-T423 HydrophobicContact CD1-CG2 4.28Å; I187-T423 HydrophobicContact CG2-CG2 3.89Å; M188-T423 HydrophobicContact CG-CG2 3.71Å; M188-T423 HydrophobicContact SD-CG2 3.76Å; F347-T423 WeakPolarHBondContact O-CA 3.38Å; F348-T423 HydrophobicContact CD2-CG2 4.27Å; F348-T423 VanDerWaalsContact CD2-OG1 3.29Å; F348-T423 WeakPolarHBondContact CD2-OG1 3.48Å; F348-T423 WeakPolarHBondContact CE2-OG1 3.21Å; T370-T423 WeakPolarHBondContact CA-O 3.45Å; I371-T423 PolarHBondContact N-O 3.06Å; I371-T423 PolarHBondContact O-N 3.47Å
424	T	98.6	Very high	97.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.8	-170.5	-167.5	0	0	0	0	112	G346 F347 T365 T370 F422 Q428	G346-T424 CarbonylContact C-O 3.51Å; G346-T424 VanDerWaalsContact CA-O 3.24Å; G346-T424 WeakPolarHBondContact CA-O 3.47Å; F347-T424 HydrophobicContact CB-CG2 4.05Å; F347-T424 HydrophobicContact CD2-CG2 4.03Å; F347-T424 PolarHBondContact N-O 3.03Å; F347-T424 PolarHBondContact O-N 2.82Å; T365-T424 HydrophobicContact CG2-CG2 3.71Å; T365-T424 PolarHBondContact O-OG1 2.96Å; T370-T424 VanDerWaalsContact OG1-CB 3.24Å; T370-T424 WeakPolarHBondContact OG1-CB 3.23Å; T370-T424 PolarHBondContact OG1-OG1 3.47Å; F422-T424 HydrophobicContact CD2-CG2 3.97Å; F422-T424 HydrophobicContact CE2-CG2 4.29Å; T424-Q428 PolarHBondContact OG1-NE2 2.83Å
425	P	98.4	Very high	97.7	Very high	24 Å²	24	32 Å²	32	16%	0.156	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	138.7	-179.8	-18.7	28.7	0	0	0	112.8	I187 N369 N427 Q428	I187-P425 HydrophobicContact CG1-CG 4.45Å; I187-P425 HydrophobicContact CG2-CB 4.43Å; I187-P425 HydrophobicContact CG2-CG 4.04Å; N369-P425 HydrophobicContact CB-CG 4.49Å; N369-P425 VanDerWaalsContact O-CD 3.26Å; N369-P425 WeakPolarHBondContact O-CD 3.38Å; P425-N427 VanDerWaalsContact C-N 3.31Å; P425-N427 WeakPolarHBondContact CB-OD1 3.3Å; P425-N427 PolarHBondContact O-N 3.45Å; P425-Q428 HydrophobicContact CB-CG 4.13Å; P425-Q428 HydrophobicContact CG-CG 4.42Å; P425-Q428 PolarHBondContact O-N 2.95Å
426	A	98.5	Very high	97.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-69	-31.5	-173.2	0	0	0	0	0	113	A345 F347 Q428 C429 M432 W436	A345-A426 VanDerWaalsContact O-CB 3.25Å; A345-A426 WeakPolarHBondContact O-CB 3.2Å; A345-A426 PolarHBondContact O-N 3.37Å; F347-A426 HydrophobicContact CD2-CB 4.37Å; F347-A426 HydrophobicContact CE1-CB 4.31Å; F347-A426 VanDerWaalsContact CE2-CA 3.42Å; F347-A426 HydrophobicContact CE2-CB 3.75Å; F347-A426 HydrophobicContact CZ-CB 3.71Å; A426-Q428 PolarHBondContact O-N 3.23Å; A426-Q428 VanDerWaalsContact O-N 3.09Å; A426-C429 VanDerWaalsContact O-CB 3.31Å; A426-C429 WeakPolarHBondContact O-CB 3.15Å; A426-C429 PolarHBondContact O-N 2.78Å; A426-M432 HydrophobicContact CB-CE 4.28Å; A426-M432 HydrophobicContact CB-SD 4.38Å; A426-W436 HydrophobicContact CB-CE3 4.32Å; A426-W436 HydrophobicContact CB-CH2 3.87Å; A426-W436 HydrophobicContact CB-CZ3 3.73Å
427	N	97.3	Very high	97.7	Very high	119 Å²	119	37.5 Å²	37.5	64%	0.636	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-65.2	-9.3	178.1	67.5	-5.8	0	0	0	114.3	P425 W436	P425-N427 VanDerWaalsContact C-N 3.31Å; P425-N427 WeakPolarHBondContact CB-OD1 3.3Å; P425-N427 PolarHBondContact O-N 3.45Å; N427-W436 HydrophobicContact CB-CZ2 4.17Å
428	Q	98.1	Very high	97.7	Very high	27 Å²	27	38.5 Å²	38.5	13%	0.126	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-86.6	-12.3	173.7	-51.7	-165.4	134.2	0	0	113.2	T365 K368 N369 T424 P425 A426 P430	T365-Q428 HydrophobicContact CG2-CB 4.1Å; T365-Q428 PolarHBondContact O-NE2 3.5Å; T365-Q428 VanDerWaalsContact O-NE2 3.12Å; K368-Q428 PolarHBondContact O-NE2 3.02Å; N369-Q428 VanDerWaalsContact CB-OE1 3.31Å; N369-Q428 PolarHBondContact ND2-OE1 3.12Å; T424-Q428 PolarHBondContact OG1-NE2 2.83Å; P425-Q428 HydrophobicContact CB-CG 4.13Å; P425-Q428 HydrophobicContact CG-CG 4.42Å; P425-Q428 PolarHBondContact O-N 2.95Å; A426-Q428 PolarHBondContact O-N 3.23Å; A426-Q428 VanDerWaalsContact O-N 3.09Å; Q428-P430 WeakPolarHBondContact O-CD 3.28Å
429	C	98.4	Very high	97.8	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.041	21%	0.207	C	C	.	.			trans	-65.4	121.2	-179.6	174.9	0	0	0	0	109.7	F347 V361 T365 A426 I431 M432	F347-C429 HydrophobicContact CE2-CB 3.84Å; F347-C429 HydrophobicContact CZ-CB 4.35Å; V361-C429 VanDerWaalsContact CG1-SG 3.58Å; T365-C429 HydrophobicContact CG2-CB 4.19Å; T365-C429 WeakPolarHBondContact OG1-CA 3.26Å; A426-C429 VanDerWaalsContact O-CB 3.31Å; A426-C429 WeakPolarHBondContact O-CB 3.15Å; A426-C429 PolarHBondContact O-N 2.78Å; C429-I431 PolarHBondContact O-N 3.09Å; C429-M432 HydrophobicContact CB-CB 4.22Å; C429-M432 HydrophobicContact CB-SD 4.07Å; C429-M432 WeakPolarHBondContact O-CB 3.38Å; C429-M432 PolarHBondContact O-N 2.67Å
430	P	98.1	Very high	97.8	Very high	81 Å²	81	40.6 Å²	40.6	53%	0.526	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.9	-174.2	25.9	-35.2	0	0	0	113.4	V361 D364 T365 Q428	V361-P430 HydrophobicContact CG1-CG 4.04Å; D364-P430 HydrophobicContact CB-CG 4.29Å; T365-P430 WeakPolarHBondContact OG1-CD 3.39Å; Q428-P430 WeakPolarHBondContact O-CD 3.28Å
431	I	98.5	Very high	97.8	Very high	36 Å²	36	40.9 Å²	40.9	19%	0.185	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	24.8	176.2	64.4	166.3	0	0	0	112.3	K321 C322 V361 C429 H433	K321-I431 CarbonylContact C-O 3.54Å; K321-I431 WeakPolarHBondContact CA-O 3.4Å; K321-I431 WeakPolarHBondContact CB-O 3.32Å; C322-I431 PolarHBondContact N-O 2.81Å; V361-I431 HydrophobicContact CB-CD1 4.48Å; V361-I431 HydrophobicContact CG1-CD1 3.98Å; V361-I431 HydrophobicContact CG1-CG1 3.67Å; V361-I431 HydrophobicContact CG2-CD1 3.91Å; V361-I431 HydrophobicContact CG2-CG1 4.18Å; V361-I431 HydrophobicContact CG2-CG2 4.48Å; C429-I431 PolarHBondContact O-N 3.09Å; I431-H433 PolarHBondContact O-N 2.88Å
432	M	98.5	Very high	97.8	Very high	29 Å²	29	39.6 Å²	39.6	14%	0.143	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-59.2	132.1	174.6	-154.1	65.5	-160.8	0	0	110.3	C322 V323 F347 A426 C429 W436	C322-M432 HydrophobicContact CB-SD 4.09Å; C322-M432 VanDerWaalsContact O-CE 3.29Å; C322-M432 WeakPolarHBondContact O-CE 3.31Å; C322-M432 VanDerWaalsContact O-SD 3.42Å; V323-M432 WeakPolarHBondContact O-CE 3.32Å; F347-M432 HydrophobicContact CZ-CE 4.27Å; F347-M432 HydrophobicContact CZ-SD 3.89Å; A426-M432 HydrophobicContact CB-CE 4.28Å; A426-M432 HydrophobicContact CB-SD 4.38Å; C429-M432 HydrophobicContact CB-CB 4.22Å; C429-M432 HydrophobicContact CB-SD 4.07Å; C429-M432 WeakPolarHBondContact O-CB 3.38Å; C429-M432 PolarHBondContact O-N 2.67Å; M432-W436 HydrophobicContact CE-CB 3.36Å; M432-W436 HydrophobicContact CE-CD2 3.47Å; M432-W436 VanDerWaalsContact CE-CD2 3.47Å; M432-W436 HydrophobicContact CE-CE3 3.51Å; M432-W436 HydrophobicContact CE-CG 3.44Å; M432-W436 VanDerWaalsContact CE-CG 3.44Å; M432-W436 HydrophobicContact CE-CZ3 4.42Å; M432-W436 HydrophobicContact CG-CB 4.14Å; M432-W436 HydrophobicContact CG-CD2 4.01Å; M432-W436 HydrophobicContact CG-CG 3.63Å; M432-W436 HydrophobicContact SD-CD2 4.49Å; M432-W436 HydrophobicContact SD-CG 4.39Å
433	H	98.6	Very high	97.8	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.028	24%	0.237	C	C	.	.			trans	-69.4	134.9	179.1	-171.6	-86.3	0	0	0	109.5	S284 E292 F294 K321 C322 V323 I431 K435 W436	S284-H433 PolarHBondContact OG-CD2 2.91Å; E292-H433 IonicContact OE1-CD2 2.85Å; E292-H433 IonicContact OE1-NE2 3.66Å; E292-H433 PolarHBondContact OE1-NE2 2.86Å; E292-H433 IonicContact OE2-NE2 2.89Å; F294-H433 AromaticContact CE1-CD2 3.95Å; F294-H433 AromaticContact CE1-CE1 3.89Å; F294-H433 AromaticContact CE1-NE2 3.81Å; F294-H433 AromaticContact CZ-CE1 3.69Å; F294-H433 AromaticContact CZ-NE2 3.56Å; K321-H433 HydrophobicContact CB-CB 3.82Å; C322-H433 VanDerWaalsContact O-CB 3.31Å; C322-H433 WeakPolarHBondContact O-CB 3.37Å; C322-H433 PolarHBondContact O-N 3.03Å; V323-H433 HydrophobicContact CG2-CB 3.67Å; I431-H433 PolarHBondContact O-N 2.88Å; H433-K435 WeakPolarHBondContact ND1-CB 3.29Å; H433-K435 PolarHBondContact ND1-N 2.88Å; H433-K435 PolarHBondContact O-N 2.89Å; H433-W436 VanDerWaalsContact O-CB 3.28Å; H433-W436 WeakPolarHBondContact O-CB 3.34Å; H433-W436 PolarHBondContact O-N 3.16Å
434	P	98	Very high	97.8	Very high	101 Å²	101	41.9 Å²	41.9	66%	0.656	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-24	-177.5	23	-34.8	0	0	0	114
435	K	97.7	Very high	97.8	Very high	115 Å²	115	43.7 Å²	43.7	50%	0.5	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	15.9	175.1	-58.8	-172.9	174	-171.8	0	114.6	H433 E437 D438 V442	H433-K435 WeakPolarHBondContact ND1-CB 3.29Å; H433-K435 PolarHBondContact ND1-N 2.88Å; H433-K435 PolarHBondContact O-N 2.89Å; K435-E437 PolarHBondContact O-N 3.36Å; K435-D438 HydrophobicContact CB-CB 3.74Å; K435-D438 HydrophobicContact CG-CB 4.35Å; K435-D438 VanDerWaalsContact O-CB 3.31Å; K435-D438 WeakPolarHBondContact O-CB 3.25Å; K435-D438 PolarHBondContact O-N 2.97Å; K435-V442 HydrophobicContact CB-CG1 4.08Å
436	W	98.3	Very high	97.8	Very high	30 Å²	30	42.6 Å²	42.6	11%	0.114	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.9	-178.8	79.6	-77.2	0	0	0	113.4	V323 A426 N427 M432 H433	V323-W436 HydrophobicContact CG1-CB 4.44Å; A426-W436 HydrophobicContact CB-CE3 4.32Å; A426-W436 HydrophobicContact CB-CH2 3.87Å; A426-W436 HydrophobicContact CB-CZ3 3.73Å; N427-W436 HydrophobicContact CB-CZ2 4.17Å; M432-W436 HydrophobicContact CE-CB 3.36Å; M432-W436 HydrophobicContact CE-CD2 3.47Å; M432-W436 VanDerWaalsContact CE-CD2 3.47Å; M432-W436 HydrophobicContact CE-CE3 3.51Å; M432-W436 HydrophobicContact CE-CG 3.44Å; M432-W436 VanDerWaalsContact CE-CG 3.44Å; M432-W436 HydrophobicContact CE-CZ3 4.42Å; M432-W436 HydrophobicContact CG-CB 4.14Å; M432-W436 HydrophobicContact CG-CD2 4.01Å; M432-W436 HydrophobicContact CG-CG 3.63Å; M432-W436 HydrophobicContact SD-CD2 4.49Å; M432-W436 HydrophobicContact SD-CG 4.39Å; H433-W436 VanDerWaalsContact O-CB 3.28Å; H433-W436 WeakPolarHBondContact O-CB 3.34Å; H433-W436 PolarHBondContact O-N 3.16Å
437	E	97.7	Very high	97.9	Very high	85 Å²	85	42.6 Å²	42.6	40%	0.397	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	16.7	171.2	-48.1	-160.3	93.6	0	0	113.7	P163 R190 K435 P439	P163-E437 HydrophobicContact CB-CB 4.35Å; P163-E437 VanDerWaalsContact CB-O 3.31Å; P163-E437 WeakPolarHBondContact CB-O 3.48Å; P163-E437 HydrophobicContact CG-CB 4.13Å; P163-E437 WeakPolarHBondContact CG-O 3.28Å; R190-E437 IonicContact CZ-OE1 2.64Å; R190-E437 VanDerWaalsContact CZ-OE1 3.24Å; R190-E437 IonicContact NE-OE1 2.72Å; R190-E437 PolarHBondContact NE-OE1 3.49Å; R190-E437 IonicContact NH2-OE1 2.76Å; R190-E437 PolarHBondContact NH2-OE1 3.22Å; K435-E437 PolarHBondContact O-N 3.36Å; E437-P439 WeakPolarHBondContact O-CD 3.44Å
438	D	96.9	Very high	97.9	Very high	47 Å²	47	36.9 Å²	36.9	25%	0.251	21%	0.209	S	C	.	.			trans	-65.8	118.1	178.3	-173.9	-26.5	0	0	0	109.3	K435 A440 G441	K435-D438 HydrophobicContact CB-CB 3.74Å; K435-D438 HydrophobicContact CG-CB 4.35Å; K435-D438 VanDerWaalsContact O-CB 3.31Å; K435-D438 WeakPolarHBondContact O-CB 3.25Å; K435-D438 PolarHBondContact O-N 2.97Å; D438-A440 PolarHBondContact O-N 2.85Å; D438-A440 VanDerWaalsContact O-N 3.1Å; D438-A440 VanDerWaalsContact OD1-CB 3.3Å; D438-A440 WeakPolarHBondContact OD1-CB 3.48Å; D438-A440 PolarHBondContact OD1-N 3.4Å; D438-G441 PolarHBondContact O-N 2.61Å
439	P	95.8	Very high	98	Very high	68 Å²	68	35.6 Å²	35.6	44%	0.442	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.1	-176	26.4	-35.3	0	0	0	113	S166 E437	S166-P439 WeakPolarHBondContact CB-O 3.12Å; S166-P439 PolarHBondContact OG-O 3.13Å; E437-P439 WeakPolarHBondContact O-CD 3.44Å
440	A	94.9	Very high	98	Very high	46 Å²	46	35.4 Å²	35.4	38%	0.38	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-24.1	174.3	0	0	0	0	0	112.2	R333 D438	R333-A440 VanDerWaalsContact NH2-CB 3.31Å; R333-A440 PolarHBondContact NH2-O 2.87Å; D438-A440 PolarHBondContact O-N 2.85Å; D438-A440 VanDerWaalsContact O-N 3.1Å; D438-A440 VanDerWaalsContact OD1-CB 3.3Å; D438-A440 WeakPolarHBondContact OD1-CB 3.48Å; D438-A440 PolarHBondContact OD1-N 3.4Å
441	G	96.8	Very high	97.9	Very high	6 Å²	6	31.7 Å²	31.7	6%	0.062	18%	0.178	C	C	.	.			trans	79	167	-171.4	0	0	0	0	0	114.1	R333 A340 D438	R333-G441 PolarHBondContact NH2-O 3.36Å; A340-G441 CarbonylContact O-C 3.48Å; A340-G441 WeakPolarHBondContact O-CA 3.41Å; D438-G441 PolarHBondContact O-N 2.61Å
442	V	98.2	Very high	97.8	Very high	2 Å²	2	33 Å²	33	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	143.4	-177.7	-63	0	0	0	0	111.4	I282 F294 V323 V339 A340 K435 I444	I282-V442 HydrophobicContact CG2-CG2 3.78Å; F294-V442 HydrophobicContact CB-CG2 4.5Å; F294-V442 HydrophobicContact CD1-CB 3.61Å; F294-V442 HydrophobicContact CD1-CG1 4.05Å; F294-V442 HydrophobicContact CD1-CG2 3.58Å; F294-V442 HydrophobicContact CD2-CB 4.32Å; F294-V442 HydrophobicContact CE1-CB 3.61Å; F294-V442 HydrophobicContact CE1-CG1 3.54Å; F294-V442 HydrophobicContact CE1-CG2 3.99Å; F294-V442 HydrophobicContact CE2-CB 4.35Å; F294-V442 HydrophobicContact CG-CB 4Å; F294-V442 HydrophobicContact CG-CG2 4.09Å; F294-V442 HydrophobicContact CZ-CB 4.01Å; F294-V442 HydrophobicContact CZ-CG1 3.93Å; V323-V442 HydrophobicContact CG1-CG2 4.48Å; V323-V442 HydrophobicContact CG2-CG1 4.45Å; V323-V442 HydrophobicContact CG2-CG2 4.4Å; V339-V442 CarbonylContact C-O 3.54Å; V339-V442 WeakPolarHBondContact CA-O 3.34Å; A340-V442 PolarHBondContact N-O 3.23Å; A340-V442 PolarHBondContact O-N 3Å; K435-V442 HydrophobicContact CB-CG1 4.08Å; V442-I444 HydrophobicContact CG2-CD1 4.48Å
443	P	98.2	Very high	97.7	Very high	49 Å²	49	32.8 Å²	32.8	32%	0.318	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.8	-178.5	30.3	-34.2	0	0	0	111.2	F294 Q337 L338	F294-P443 WeakPolarHBondContact CB-O 3.4Å; F294-P443 HydrophobicContact CD2-CG 4.12Å; F294-P443 WeakPolarHBondContact CD2-O 2.81Å; F294-P443 HydrophobicContact CE2-CG 4.37Å; Q337-P443 HydrophobicContact CG-CB 3.82Å; L338-P443 WeakPolarHBondContact O-CA 3.39Å
444	I	98.7	Very high	97.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-90.9	119.4	177.9	-59.1	-55.2	0	0	0	110.1	I282 F294 A296 Q337 L338 A340 V442 A446 I447 P524	I282-I444 HydrophobicContact CG2-CD1 4.03Å; F294-I444 HydrophobicContact CB-CD1 4.24Å; A296-I444 HydrophobicContact CB-CD1 4.23Å; A296-I444 HydrophobicContact CB-CG2 4.16Å; Q337-I444 PolarHBondContact NE2-O 3.2Å; Q337-I444 VanDerWaalsContact NE2-O 3.11Å; L338-I444 HydrophobicContact CD2-CB 4.25Å; L338-I444 HydrophobicContact CD2-CG2 4.41Å; L338-I444 HydrophobicContact CG-CB 4.38Å; L338-I444 PolarHBondContact O-N 2.9Å; A340-I444 HydrophobicContact CB-CD1 3.67Å; A340-I444 HydrophobicContact CB-CG1 3.66Å; V442-I444 HydrophobicContact CG2-CD1 4.48Å; I444-A446 WeakPolarHBondContact CG2-O 3.44Å; I444-I447 HydrophobicContact CG2-CG1 4.07Å; I444-P524 HydrophobicContact CG2-CB 4.26Å; I444-P524 HydrophobicContact CG2-CG 4.23Å
445	D	98.5	Very high	97.4	Very high	40 Å²	40	35.2 Å²	35.2	21%	0.214	18%	0.184	C	C	.	.			trans	-96	-28.9	-179.7	-57.3	-73.7	0	0	0	112.6	R293 F294 P524 K525 L559	R293-D445 VanDerWaalsContact CA-OD2 3.23Å; R293-D445 WeakPolarHBondContact CA-OD2 3.37Å; R293-D445 HydrophobicContact CB-CB 4.44Å; R293-D445 WeakPolarHBondContact CB-OD2 3.46Å; R293-D445 WeakPolarHBondContact CD-OD2 3.46Å; F294-D445 PolarHBondContact N-OD2 2.64Å; F294-D445 PolarHBondContact O-N 3.03Å; D445-P524 WeakPolarHBondContact O-CB 3.43Å; D445-K525 PolarHBondContact O-N 2.68Å; D445-L559 HydrophobicContact CB-CD1 3.79Å
446	A	98.8	Very high	97.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	149	177.8	0	0	0	0	0	112.2	F294 I295 A296 I444 K525 F527 I555 L559	F294-A446 PolarHBondContact O-N 2.95Å; I295-A446 WeakPolarHBondContact CA-O 3.4Å; I295-A446 HydrophobicContact CG1-CB 4.15Å; I295-A446 HydrophobicContact CG2-CB 4.43Å; A296-A446 PolarHBondContact N-O 3.21Å; I444-A446 WeakPolarHBondContact CG2-O 3.44Å; A446-K525 WeakPolarHBondContact CA-O 3.32Å; A446-F527 HydrophobicContact CB-CD2 4.16Å; A446-F527 HydrophobicContact CB-CE2 3.96Å; A446-I555 HydrophobicContact CB-CG2 4.18Å; A446-L559 HydrophobicContact CB-CD1 4.34Å; A446-L559 HydrophobicContact CB-CD2 4.24Å
447	I	98.9	Very high	97.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.8	167.8	-66.7	175.2	0	0	0	108.7	M280 A296 L338 I444 F449 W466 W513 P524 K525 I526 F527	M280-I447 HydrophobicContact CE-CG2 3.83Å; M280-I447 HydrophobicContact SD-CG2 4.44Å; A296-I447 HydrophobicContact CB-CG1 4.43Å; A296-I447 CarbonylContact O-C 3.52Å; A296-I447 VanDerWaalsContact O-CA 3.29Å; A296-I447 WeakPolarHBondContact O-CA 3.47Å; L338-I447 HydrophobicContact CD2-CD1 4.24Å; I444-I447 HydrophobicContact CG2-CG1 4.07Å; I447-F449 HydrophobicContact CG2-CE2 4.17Å; I447-F449 HydrophobicContact CG2-CZ 4.2Å; I447-W466 HydrophobicContact CD1-CH2 3.95Å; I447-W466 HydrophobicContact CD1-CZ3 4.05Å; I447-W513 HydrophobicContact CD1-CH2 4.01Å; I447-W513 HydrophobicContact CD1-CZ3 4.04Å; I447-P524 HydrophobicContact CD1-CG 3.63Å; I447-P524 HydrophobicContact CG1-CB 4.43Å; I447-P524 HydrophobicContact CG1-CG 3.75Å; I447-K525 PolarHBondContact N-O 3.48Å; I447-I526 HydrophobicContact CB-CG1 4.14Å; I447-I526 CarbonylContact O-C 3.59Å; I447-I526 WeakPolarHBondContact O-CA 3.37Å; I447-F527 PolarHBondContact O-N 3.41Å
448	I	98.9	Very high	97.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.2	179	-53.9	177.4	0	0	0	110.3	I295 A296 A297 A298 F299 M308 F527 V529 I555	I295-I448 HydrophobicContact CD1-CD1 4.44Å; I295-I448 HydrophobicContact CG2-CD1 3.47Å; I295-I448 VanDerWaalsContact CG2-CD1 3.47Å; I295-I448 HydrophobicContact CG2-CG1 3.71Å; A296-I448 PolarHBondContact O-N 3.34Å; A297-I448 CarbonylContact C-O 3.56Å; A297-I448 WeakPolarHBondContact CA-O 3.14Å; A297-I448 HydrophobicContact CB-CB 3.84Å; A298-I448 PolarHBondContact N-O 3.03Å; F299-I448 HydrophobicContact CE1-CG2 3.96Å; F299-I448 HydrophobicContact CZ-CG2 4.13Å; M308-I448 HydrophobicContact CE-CD1 3.7Å; I448-F527 CarbonylContact C-O 3.55Å; I448-F527 WeakPolarHBondContact CA-O 3.47Å; I448-F527 HydrophobicContact CG1-CB 4.32Å; I448-V529 HydrophobicContact CG2-CB 4.21Å; I448-V529 HydrophobicContact CG2-CG1 3.66Å; I448-V529 HydrophobicContact CG2-CG2 3.6Å; I448-I555 HydrophobicContact CD1-CD1 3.52Å; I448-I555 HydrophobicContact CG1-CD1 4.14Å
449	F	98.9	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	156.9	166.1	-70.5	-63.4	0	0	0	111	M280 A298 I447 L476 M496 I526 F527 H528 V529	M280-F449 HydrophobicContact CE-CE1 3.98Å; M280-F449 HydrophobicContact CE-CZ 4.18Å; A298-F449 HydrophobicContact CB-CD1 3.69Å; A298-F449 HydrophobicContact CB-CE1 3.72Å; I447-F449 HydrophobicContact CG2-CE2 4.17Å; I447-F449 HydrophobicContact CG2-CZ 4.2Å; F449-L476 HydrophobicContact CB-CD1 4.09Å; F449-L476 HydrophobicContact CD1-CD1 4.15Å; F449-M496 HydrophobicContact CE1-CB 4.37Å; F449-M496 HydrophobicContact CE1-CE 4.11Å; F449-M496 HydrophobicContact CE1-SD 3.77Å; F449-M496 HydrophobicContact CE2-SD 4.21Å; F449-M496 HydrophobicContact CZ-CE 3.6Å; F449-M496 HydrophobicContact CZ-SD 3.47Å; F449-M496 WeakPolarHBondContact CZ-SD 3.36Å; F449-I526 HydrophobicContact CD2-CG2 3.74Å; F449-I526 HydrophobicContact CE2-CG2 3.89Å; F449-F527 PolarHBondContact N-O 2.98Å; F449-H528 CarbonylContact O-C 3.57Å; F449-H528 VanDerWaalsContact O-CA 3.23Å; F449-H528 WeakPolarHBondContact O-CA 3.35Å; F449-V529 PolarHBondContact O-N 3.4Å
450	G	98.3	Very high	97.6	Very high	1 Å²	1	19 Å²	19	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.1	163	175.5	0	0	0	0	0	113.7	A298 F299 P300 V529	A298-G450 PolarHBondContact O-N 3.47Å; F299-G450 WeakPolarHBondContact CA-O 3.45Å; F299-G450 WeakPolarHBondContact CD1-O 3.46Å; P300-G450 WeakPolarHBondContact CD-O 3.32Å; G450-V529 VanDerWaalsContact CA-O 3.25Å; G450-V529 WeakPolarHBondContact CA-O 3.17Å
451	G	96.3	Very high	97.8	Very high	3 Å²	3	17.2 Å²	17.2	3%	0.031	9%	0.088	C	C	.	.			trans	-163.7	176.9	-177.7	0	0	0	0	0	111.7	R453 N530	G451-R453 PolarHBondContact O-N 2.96Å; G451-N530 PolarHBondContact O-OD1 3.08Å
452	R	95.8	Very high	97.9	Very high	64 Å²	64	17.4 Å²	17.4	24%	0.242	9%	0.087	C	C	.	.			trans	-78.5	102.1	177.1	-70.5	172.2	178.7	-84.2	-2.2	110.2	A302 S478 E479 F532	A302-R452 PolarHBondContact O-NE 3.5Å; A302-R452 VanDerWaalsContact O-NE 3.13Å; A302-R452 PolarHBondContact O-NH2 3.47Å; R452-S478 PolarHBondContact N-OG 2.71Å; R452-S478 WeakPolarHBondContact O-CA 3.34Å; R452-E479 HydrophobicContact CB-CB 3.9Å; R452-E479 HydrophobicContact CB-CG 4.1Å; R452-E479 PolarHBondContact O-N 2.91Å; R452-E479 VanDerWaalsContact O-N 3.09Å; R452-F532 HydrophobicContact CB-CB 4.3Å; R452-F532 HydrophobicContact CB-CD2 4.16Å; R452-F532 HydrophobicContact CB-CG 4.2Å; R452-F532 HydrophobicContact CG-CB 4.26Å; R452-F532 HydrophobicContact CG-CD1 3.97Å; R452-F532 HydrophobicContact CG-CD2 3.56Å; R452-F532 HydrophobicContact CG-CE1 4.16Å; R452-F532 HydrophobicContact CG-CE2 3.75Å; R452-F532 HydrophobicContact CG-CG 3.65Å; R452-F532 HydrophobicContact CG-CZ 4.05Å; R452-F532 VanDerWaalsContact CZ-CE1 3.46Å; R452-F532 VanDerWaalsContact NH1-CE1 3.27Å
453	R	96.8	Very high	97.9	Very high	25 Å²	25	17.7 Å²	17.7	9%	0.094	9%	0.089	C	C	.	.			trans	-121.1	105.9	173.3	-62.2	-61	-60.2	-83.9	14.4	109.9	G451 E455 V457 K477 N530 F532 R533 Y599 D603	G451-R453 PolarHBondContact O-N 2.96Å; R453-E455 PolarHBondContact O-N 3.19Å; R453-V457 HydrophobicContact CB-CB 4.02Å; R453-V457 HydrophobicContact CB-CG2 3.99Å; R453-V457 HydrophobicContact CG-CB 4.3Å; R453-V457 HydrophobicContact CG-CG2 3.9Å; R453-K477 WeakPolarHBondContact CD-O 3.34Å; R453-N530 PolarHBondContact N-OD1 2.9Å; R453-N530 PolarHBondContact O-ND2 2.67Å; R453-N530 PolarHBondContact O-OD1 3.25Å; R453-F532 CarbonylContact O-C 3.57Å; R453-R533 WeakPolarHBondContact O-CA 3.42Å; R453-R533 PolarHBondContact O-N 3.38Å; R453-Y599 PolarHBondContact NH2-OH 2.91Å; R453-D603 IonicContact CZ-OD1 2.78Å; R453-D603 IonicContact NH1-OD1 3.76Å; R453-D603 IonicContact NH2-OD1 3.25Å; R453-D603 PolarHBondContact NH2-OD1 3.09Å
454	P	95.3	Very high	97.9	Very high	34 Å²	34	19.2 Å²	19.2	22%	0.221	9%	0.091	C	C	.	.	S	Bend	trans	-68.8	-22.6	-177.9	26.9	-34	0	0	0	113	I491 Q534	P454-I491 HydrophobicContact CG-CD1 4.49Å; P454-Q534 HydrophobicContact CB-CG 4.46Å; P454-Q534 PolarHBondContact O-N 2.67Å
455	E	95.5	Very high	97.9	Very high	124 Å²	124	21.7 Å²	21.7	58%	0.579	11%	0.108	S	C	*	.	S	Bend	trans	-136.8	154.2	-175.1	-174.4	173.2	-172.1	0	0	111.8	R453 V457 Y599	R453-E455 PolarHBondContact O-N 3.19Å; E455-V457 VanDerWaalsContact C-N 3.26Å; E455-V457 PolarHBondContact O-N 3.38Å; E455-Y599 HydrophobicContact CB-CE2 4.2Å; E455-Y599 HydrophobicContact CG-CD2 4.1Å; E455-Y599 HydrophobicContact CG-CE2 4.11Å; E455-Y599 WeakPolarHBondContact O-CE2 3.16Å; E455-Y599 VanDerWaalsContact O-CZ 3.23Å; E455-Y599 PolarHBondContact O-OH 2.85Å
456	G	96	Very high	97.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	75	-38	163.9	0	0	0	0	0	117.7	W600	G456-W600 PolarHBondContact O-NE1 3.47Å
457	V	98	Very high	97.8	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.024	12%	0.115	C	C	.	.	S	Bend	trans	-81.3	126.7	178.9	-178.1	0	0	0	0	110.7	R453 E455 F461 N530 R533 Y599 W600	R453-V457 HydrophobicContact CB-CB 4.02Å; R453-V457 HydrophobicContact CB-CG2 3.99Å; R453-V457 HydrophobicContact CG-CB 4.3Å; R453-V457 HydrophobicContact CG-CG2 3.9Å; E455-V457 VanDerWaalsContact C-N 3.26Å; E455-V457 PolarHBondContact O-N 3.38Å; V457-F461 HydrophobicContact CG1-CE1 4.49Å; V457-N530 HydrophobicContact CB-CB 4.34Å; V457-N530 HydrophobicContact CG1-CB 3.91Å; V457-N530 PolarHBondContact O-ND2 2.86Å; V457-R533 WeakPolarHBondContact O-CD 3.48Å; V457-Y599 HydrophobicContact CG2-CE1 4.44Å; V457-Y599 WeakPolarHBondContact CG2-OH 3.26Å; V457-W600 HydrophobicContact CG2-CH2 4.43Å; V457-W600 HydrophobicContact CG2-CZ2 4.48Å
458	P	98.5	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.			trans	-72.9	166.6	-176.5	34	-39.2	0	0	0	112.5	V460 F461 N530 L573 L592 F593 L595	P458-V460 VanDerWaalsContact C-N 3.32Å; P458-V460 PolarHBondContact O-N 2.86Å; P458-F461 HydrophobicContact CG-CD1 3.89Å; P458-N530 WeakPolarHBondContact O-CB 3.37Å; P458-L573 HydrophobicContact CB-CD2 4.07Å; P458-L573 HydrophobicContact CG-CD2 3.78Å; P458-L592 WeakPolarHBondContact CA-O 3.49Å; P458-F593 HydrophobicContact CB-CD1 4.03Å; P458-L595 HydrophobicContact CB-CD2 4.39Å; P458-L595 HydrophobicContact CG-CD2 3.89Å
459	L	98.7	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-54.9	-44.2	-179.3	175.7	62	0	0	0	113.3	V529 N530 W531 W542 V551 L592 F593	L459-V529 CarbonylContact O-C 3.59Å; L459-V529 WeakPolarHBondContact O-CA 3.29Å; L459-N530 PolarHBondContact O-N 3.47Å; L459-W531 HydrophobicContact CD1-CE3 3.57Å; L459-W531 HydrophobicContact CD1-CZ3 3.69Å; L459-W531 HydrophobicContact CG-CZ3 4.5Å; L459-W542 HydrophobicContact CD1-CB 4.14Å; L459-W542 HydrophobicContact CD1-CD2 3.97Å; L459-W542 HydrophobicContact CD1-CG 3.65Å; L459-W542 HydrophobicContact CD2-CD2 3.7Å; L459-W542 HydrophobicContact CD2-CE3 3.75Å; L459-W542 HydrophobicContact CD2-CG 4.26Å; L459-W542 HydrophobicContact CD2-CH2 4.28Å; L459-W542 HydrophobicContact CD2-CZ2 4.23Å; L459-W542 HydrophobicContact CD2-CZ3 4.06Å; L459-V551 HydrophobicContact CD1-CG2 4.27Å; L459-V551 HydrophobicContact CD2-CG2 3.57Å; L459-V551 HydrophobicContact CG-CG2 3.84Å; L459-L592 HydrophobicContact CB-CD1 3.93Å; L459-L592 HydrophobicContact CB-CD2 4.16Å; L459-L592 HydrophobicContact CB-CG 3.84Å; L459-L592 HydrophobicContact CD2-CD2 3.84Å; L459-L592 HydrophobicContact CD2-CG 4.45Å; L459-L592 PolarHBondContact N-O 2.77Å; L459-F593 HydrophobicContact CB-CE1 3.91Å; L459-F593 HydrophobicContact CB-CZ 3.83Å; L459-F593 HydrophobicContact CD2-CZ 4.06Å; L459-F593 HydrophobicContact CG-CZ 4.39Å
460	V	98.9	Very high	97.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	146	177.9	62.7	0	0	0	0	111.1	P458 H528 V529 V551 W554 I555 P574 I579 F593	P458-V460 VanDerWaalsContact C-N 3.32Å; P458-V460 PolarHBondContact O-N 2.86Å; V460-H528 CarbonylContact C-O 3.21Å; V460-H528 VanDerWaalsContact CA-O 3.26Å; V460-H528 WeakPolarHBondContact CA-O 3.24Å; V460-V529 HydrophobicContact CB-CG1 4.2Å; V460-V529 HydrophobicContact CG2-CG1 3.92Å; V460-V551 HydrophobicContact CB-CG1 3.66Å; V460-V551 HydrophobicContact CG1-CG1 3.9Å; V460-V551 HydrophobicContact CG2-CG1 3.77Å; V460-W554 HydrophobicContact CG1-CE3 4.12Å; V460-W554 HydrophobicContact CG1-CZ3 4.29Å; V460-W554 HydrophobicContact CG2-CE3 4.06Å; V460-W554 HydrophobicContact CG2-CZ3 3.84Å; V460-I555 HydrophobicContact CG2-CD1 4.44Å; V460-I555 HydrophobicContact CG2-CG1 4.46Å; V460-P574 HydrophobicContact CG1-CG 3.56Å; V460-I579 HydrophobicContact CG1-CD1 4.13Å; V460-F593 HydrophobicContact CG1-CE1 4.04Å; V460-F593 HydrophobicContact CG1-CZ 4.38Å
461	F	98.8	Very high	97.8	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.035	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	149.7	162.3	62.9	-89.6	0	0	0	111.4	V457 P458 T463 T472 F527 H528 V570 L572 L573	V457-F461 HydrophobicContact CG1-CE1 4.49Å; P458-F461 HydrophobicContact CG-CD1 3.89Å; F461-T463 HydrophobicContact CD2-CG2 4.42Å; F461-T463 HydrophobicContact CE2-CG2 4.16Å; F461-T472 HydrophobicContact CE2-CG2 3.78Å; F461-T472 HydrophobicContact CZ-CG2 3.72Å; F461-F527 CarbonylContact O-C 3.54Å; F461-F527 VanDerWaalsContact O-CA 3.3Å; F461-F527 WeakPolarHBondContact O-CA 3.33Å; F461-H528 HydrophobicContact CD1-CB 4.01Å; F461-H528 HydrophobicContact CD2-CB 4.3Å; F461-H528 HydrophobicContact CE1-CB 3.47Å; F461-H528 VanDerWaalsContact CE1-CB 3.47Å; F461-H528 AromaticContact CE1-CG 3.61Å; F461-H528 AromaticContact CE1-ND1 3.57Å; F461-H528 HydrophobicContact CE2-CB 3.79Å; F461-H528 HydrophobicContact CG-CB 4.42Å; F461-H528 HydrophobicContact CZ-CB 3.36Å; F461-H528 AromaticContact CZ-CG 3.68Å; F461-H528 PolarHBondContact N-O 3.27Å; F461-H528 PolarHBondContact O-N 2.89Å; F461-V570 VanDerWaalsContact CD2-O 3.24Å; F461-V570 WeakPolarHBondContact CD2-O 3.41Å; F461-V570 WeakPolarHBondContact CE2-O 3.44Å; F461-L572 CarbonylContact C-O 3.49Å; F461-L572 VanDerWaalsContact CA-O 3.31Å; F461-L572 WeakPolarHBondContact CA-O 3.36Å; F461-L573 HydrophobicContact CB-CD2 3.84Å
462	E	98.9	Very high	98	Very high	11 Å²	11	23.8 Å²	23.8	5%	0.051	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	139.5	168.6	-177.3	-176.4	163.9	0	0	109.4	K525 F527 W554 R558 G571 L572	E462-K525 WeakPolarHBondContact OE1-CD 3.39Å; E462-K525 IonicContact OE1-NZ 2.89Å; E462-K525 PolarHBondContact OE1-NZ 3.07Å; E462-F527 HydrophobicContact CB-CD1 3.67Å; E462-F527 HydrophobicContact CB-CE1 3.55Å; E462-F527 HydrophobicContact CB-CZ 4.49Å; E462-F527 HydrophobicContact CG-CD1 4.06Å; E462-F527 HydrophobicContact CG-CE1 3.64Å; E462-F527 HydrophobicContact CG-CZ 4.1Å; E462-W554 HydrophobicContact CB-CH2 4.08Å; E462-W554 HydrophobicContact CB-CZ3 4.46Å; E462-R558 IonicContact OE1-NH2 2.87Å; E462-R558 PolarHBondContact OE1-NH2 3.19Å; E462-R558 IonicContact OE2-CZ 3.37Å; E462-R558 IonicContact OE2-NE 3.45Å; E462-R558 PolarHBondContact OE2-NE 2.88Å; E462-R558 IonicContact OE2-NH2 3.6Å; E462-R558 PolarHBondContact OE2-NH2 2.8Å; E462-G571 CarbonylContact O-C 3.57Å; E462-G571 VanDerWaalsContact O-CA 3.24Å; E462-G571 WeakPolarHBondContact O-CA 3.27Å; E462-L572 HydrophobicContact CB-CB 4.15Å; E462-L572 HydrophobicContact CB-CD1 4.5Å; E462-L572 HydrophobicContact CG-CD1 4.45Å; E462-L572 PolarHBondContact N-O 3.27Å; E462-L572 PolarHBondContact O-N 2.85Å
463	T	98.8	Very high	98.1	Very high	7 Å²	7	20.8 Å²	20.8	4%	0.043	11%	0.105	C	C	.	.			trans	-82.7	151.2	177.2	63.3	0	0	0	0	110.8	F461 S465 H468 T472 I526	F461-T463 HydrophobicContact CD2-CG2 4.42Å; F461-T463 HydrophobicContact CE2-CG2 4.16Å; T463-S465 VanDerWaalsContact C-N 3.31Å; T463-S465 PolarHBondContact O-N 3.02Å; T463-H468 WeakPolarHBondContact CB-ND1 3.48Å; T463-T472 HydrophobicContact CG2-CG2 4.12Å; T463-T472 WeakPolarHBondContact CG2-OG1 3.2Å; T463-I526 WeakPolarHBondContact CB-O 3.41Å; T463-I526 HydrophobicContact CG2-CB 4.45Å; T463-I526 HydrophobicContact CG2-CG2 3.98Å; T463-I526 PolarHBondContact N-O 3.1Å; T463-I526 WeakPolarHBondContact OG1-CB 3.43Å; T463-I526 PolarHBondContact OG1-O 3.25Å
464	F	98.4	Very high	98.2	Very high	82 Å²	82	19.6 Å²	19.6	36%	0.36	10%	0.1	S	C	.	.	S	Bend	trans	-69.3	-27	-172.9	-62.4	-60	0	0	0	114.7	H468 S568 G571 L572	F464-H468 HydrophobicContact CB-CB 4.29Å; F464-H468 AromaticContact CD2-CD2 3.92Å; F464-H468 AromaticContact CD2-CE1 3.69Å; F464-H468 AromaticContact CD2-CG 3.9Å; F464-H468 AromaticContact CD2-ND1 3.77Å; F464-H468 AromaticContact CD2-NE2 3.76Å; F464-H468 PolarHBondContact N-ND1 3.31Å; F464-S568 VanDerWaalsContact CZ-O 3.29Å; F464-S568 WeakPolarHBondContact CZ-O 3.13Å; F464-G571 VanDerWaalsContact CZ-CA 3.4Å; F464-L572 HydrophobicContact CD1-CD2 4.16Å; F464-L572 HydrophobicContact CD1-CG 4.37Å; F464-L572 HydrophobicContact CE1-CD2 3.83Å; F464-L572 HydrophobicContact CE1-CG 4.33Å
465	S	98.1	Very high	98.3	Very high	53 Å²	53	18.8 Å²	18.8	37%	0.371	10%	0.095	S	C	.	.	S	Bend	trans	-159.7	169.2	-174.6	71.9	0	0	0	0	109.6	T463 L467 H468 G469	T463-S465 VanDerWaalsContact C-N 3.31Å; T463-S465 PolarHBondContact O-N 3.02Å; S465-L467 VanDerWaalsContact C-N 3.26Å; S465-L467 PolarHBondContact O-N 3.31Å; S465-L467 PolarHBondContact OG-N 2.89Å; S465-H468 PolarHBondContact O-N 3.5Å; S465-H468 PolarHBondContact OG-N 2.92Å; S465-G469 PolarHBondContact O-N 2.85Å
466	W	98.3	Very high	98.4	Very high	31 Å²	31	13 Å²	13	12%	0.117	7%	0.068	C	C	.	.	H	α-helix	trans	-54.8	-43.7	171	-178.6	-109.9	0	0	0	112	I447 G469 I470 W513 T523 P524 I526	I447-W466 HydrophobicContact CD1-CH2 3.95Å; I447-W466 HydrophobicContact CD1-CZ3 4.05Å; W466-G469 WeakPolarHBondContact O-CA 3.45Å; W466-G469 PolarHBondContact O-N 3.37Å; W466-I470 HydrophobicContact CG-CD1 4.44Å; W466-I470 WeakPolarHBondContact O-CG1 3.32Å; W466-I470 PolarHBondContact O-N 3.06Å; W466-W513 AromaticContact CH2-CE3 3.86Å; W466-W513 HydrophobicContact CH2-CE3 3.86Å; W466-W513 AromaticContact CH2-CZ3 3.49Å; W466-W513 HydrophobicContact CH2-CZ3 3.49Å; W466-W513 VanDerWaalsContact CH2-CZ3 3.49Å; W466-W513 AromaticContact CZ2-CE3 3.52Å; W466-W513 HydrophobicContact CZ2-CE3 3.52Å; W466-W513 AromaticContact CZ2-CZ3 3.68Å; W466-W513 HydrophobicContact CZ2-CZ3 3.68Å; W466-W513 HydrophobicContact CZ3-CZ3 4.39Å; W466-W513 PolarHBondContact NE1-O 3.46Å; W466-T523 HydrophobicContact CB-CG2 4.21Å; W466-T523 HydrophobicContact CD2-CG2 3.49Å; W466-T523 VanDerWaalsContact CD2-CG2 3.49Å; W466-T523 VanDerWaalsContact CE3-CB 3.46Å; W466-T523 HydrophobicContact CE3-CG2 3.85Å; W466-T523 HydrophobicContact CG-CG2 3.67Å; W466-T523 HydrophobicContact CZ2-CG2 4.32Å; W466-T523 HydrophobicContact CZ3-CG2 4.37Å; W466-P524 HydrophobicContact CH2-CG 4.37Å; W466-P524 HydrophobicContact CZ3-CG 3.83Å; W466-I526 HydrophobicContact CD2-CD1 4.06Å; W466-I526 HydrophobicContact CE3-CD1 3.35Å; W466-I526 HydrophobicContact CE3-CG1 3.92Å; W466-I526 HydrophobicContact CH2-CD1 4.33Å; W466-I526 HydrophobicContact CZ3-CD1 3.51Å; W466-I526 HydrophobicContact CZ3-CG1 3.88Å
467	L	98.5	Very high	98.4	Very high	47 Å²	47	13.3 Å²	13.3	25%	0.246	7%	0.07	C	C	.	.	H	α-helix	trans	-65	-46.4	179.8	179.3	63	0	0	0	111.9	S465 G469 I470 F471 I514 E622 I623 E626	S465-L467 VanDerWaalsContact C-N 3.26Å; S465-L467 PolarHBondContact O-N 3.31Å; S465-L467 PolarHBondContact OG-N 2.89Å; L467-G469 PolarHBondContact O-N 3.4Å; L467-I470 PolarHBondContact O-N 3.15Å; L467-I470 VanDerWaalsContact O-N 3.16Å; L467-F471 PolarHBondContact O-N 2.87Å; L467-I514 HydrophobicContact CD1-CD1 3.93Å; L467-I514 HydrophobicContact CD1-CG1 4.01Å; L467-E622 HydrophobicContact CD1-CB 3.6Å; L467-E622 HydrophobicContact CD2-CB 3.86Å; L467-E622 HydrophobicContact CG-CB 4.35Å; L467-I623 HydrophobicContact CD1-CD1 4.02Å; L467-E626 HydrophobicContact CD2-CG 4.12Å; L467-E626 HydrophobicContact CG-CG 3.85Å
468	H	98.7	Very high	98.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.8	-32.7	174.1	-175.4	-100.8	0	0	0	111.7	T463 F464 S465 F471 T472 V570 E626 R633	T463-H468 WeakPolarHBondContact CB-ND1 3.48Å; F464-H468 HydrophobicContact CB-CB 4.29Å; F464-H468 AromaticContact CD2-CD2 3.92Å; F464-H468 AromaticContact CD2-CE1 3.69Å; F464-H468 AromaticContact CD2-CG 3.9Å; F464-H468 AromaticContact CD2-ND1 3.77Å; F464-H468 AromaticContact CD2-NE2 3.76Å; F464-H468 PolarHBondContact N-ND1 3.31Å; S465-H468 PolarHBondContact O-N 3.5Å; S465-H468 PolarHBondContact OG-N 2.92Å; H468-F471 PolarHBondContact O-N 2.83Å; H468-T472 WeakPolarHBondContact O-CB 3.36Å; H468-T472 PolarHBondContact O-N 3.27Å; H468-T472 PolarHBondContact O-OG1 2.88Å; H468-V570 PolarHBondContact CE1-O 3.27Å; H468-E626 IonicContact CD2-OE2 2.67Å; H468-E626 PolarHBondContact CD2-OE2 3.37Å; H468-E626 VanDerWaalsContact CD2-OE2 3.31Å; H468-E626 IonicContact CG-OE2 3.2Å; H468-R633 PolarHBondContact NE2-NH2 3.38Å
469	G	98.8	Very high	97.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.9	-44.6	172.2	0	0	0	0	0	113.8	S465 W466 L467 T472 G473	S465-G469 PolarHBondContact O-N 2.85Å; W466-G469 WeakPolarHBondContact O-CA 3.45Å; W466-G469 PolarHBondContact O-N 3.37Å; L467-G469 PolarHBondContact O-N 3.4Å; G469-T472 PolarHBondContact O-N 3.05Å; G469-G473 PolarHBondContact O-N 3.43Å
470	I	98.8	Very high	97.3	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-62.7	-44.3	174.1	-63.2	164.8	0	0	0	110.1	W466 L467 T472 G473 A474 L510 W513 I514 I623	W466-I470 HydrophobicContact CG-CD1 4.44Å; W466-I470 WeakPolarHBondContact O-CG1 3.32Å; W466-I470 PolarHBondContact O-N 3.06Å; L467-I470 PolarHBondContact O-N 3.15Å; L467-I470 VanDerWaalsContact O-N 3.16Å; I470-T472 VanDerWaalsContact C-N 3.35Å; I470-T472 PolarHBondContact O-N 3.01Å; I470-G473 PolarHBondContact O-N 3.27Å; I470-A474 WeakPolarHBondContact O-CB 3.41Å; I470-A474 PolarHBondContact O-N 3.28Å; I470-L510 HydrophobicContact CG2-CD2 3.88Å; I470-W513 HydrophobicContact CD1-CB 3.87Å; I470-W513 HydrophobicContact CG1-CB 4.13Å; I470-W513 HydrophobicContact CG1-CE3 4.15Å; I470-W513 HydrophobicContact CG2-CB 4.27Å; I470-I514 HydrophobicContact CD1-CB 4.41Å; I470-I514 HydrophobicContact CD1-CG1 3.7Å; I470-I623 HydrophobicContact CB-CD1 4.09Å; I470-I623 HydrophobicContact CG2-CD1 3.65Å
471	F	98.8	Very high	96.5	Very high	1 Å²	1	17.3 Å²	17.3	0%	0.004	9%	0.094	C	C	.	.	H	α-helix	trans	-58.5	-45.6	174.2	162	-100.6	0	0	0	111.8	L467 H468 G473 A474 C475 F611 I623 E626 L627 Q630	L467-F471 PolarHBondContact O-N 2.87Å; H468-F471 PolarHBondContact O-N 2.83Å; F471-G473 PolarHBondContact O-N 3.29Å; F471-A474 WeakPolarHBondContact O-CB 3.35Å; F471-A474 PolarHBondContact O-N 2.94Å; F471-A474 VanDerWaalsContact O-N 3.11Å; F471-C475 WeakPolarHBondContact CE2-SG 3.45Å; F471-C475 VanDerWaalsContact CZ-SG 3.52Å; F471-C475 PolarHBondContact O-N 2.98Å; F471-C475 PolarHBondContact O-SG 3.42Å; F471-F611 HydrophobicContact CD2-CE2 4.29Å; F471-F611 HydrophobicContact CE2-CE2 4.07Å; F471-I623 HydrophobicContact CB-CD1 4.18Å; F471-I623 HydrophobicContact CD2-CG2 4.11Å; F471-E626 HydrophobicContact CB-CB 3.69Å; F471-E626 HydrophobicContact CB-CG 4.12Å; F471-E626 HydrophobicContact CD1-CB 4.02Å; F471-E626 HydrophobicContact CD2-CB 3.95Å; F471-E626 HydrophobicContact CG-CB 3.6Å; F471-L627 HydrophobicContact CD2-CB 4.43Å; F471-L627 HydrophobicContact CE2-CB 3.69Å; F471-L627 HydrophobicContact CE2-CD1 4.09Å; F471-L627 HydrophobicContact CE2-CG 4.49Å; F471-L627 HydrophobicContact CZ-CB 4.33Å; F471-L627 HydrophobicContact CZ-CD1 4.22Å; F471-Q630 HydrophobicContact CE1-CB 4.21Å; F471-Q630 HydrophobicContact CZ-CB 4.28Å
472	T	98.7	Very high	95.7	Very high	8 Å²	8	19 Å²	19	5%	0.049	11%	0.11	C	C	.	.	H	α-helix	trans	-60.7	-44	178.5	-61.4	0	0	0	0	111.3	F461 T463 H468 G469 I470 C475 H528	F461-T472 HydrophobicContact CE2-CG2 3.78Å; F461-T472 HydrophobicContact CZ-CG2 3.72Å; T463-T472 HydrophobicContact CG2-CG2 4.12Å; T463-T472 WeakPolarHBondContact CG2-OG1 3.2Å; H468-T472 WeakPolarHBondContact O-CB 3.36Å; H468-T472 PolarHBondContact O-N 3.27Å; H468-T472 PolarHBondContact O-OG1 2.88Å; G469-T472 PolarHBondContact O-N 3.05Å; I470-T472 VanDerWaalsContact C-N 3.35Å; I470-T472 PolarHBondContact O-N 3.01Å; T472-C475 PolarHBondContact O-N 3.32Å; T472-H528 HydrophobicContact CG2-CB 3.81Å
473	G	98.7	Very high	94.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.9	-37.3	174	0	0	0	0	0	112.7	G469 I470 F471 C475 L476 M496	G469-G473 PolarHBondContact O-N 3.43Å; I470-G473 PolarHBondContact O-N 3.27Å; F471-G473 PolarHBondContact O-N 3.29Å; G473-C475 PolarHBondContact O-N 3.35Å; G473-L476 VanDerWaalsContact O-CB 3.23Å; G473-L476 WeakPolarHBondContact O-CB 3.34Å; G473-L476 PolarHBondContact O-N 3.36Å; G473-M496 VanDerWaalsContact C-SD 3.56Å; G473-M496 VanDerWaalsContact CA-SD 3.59Å; G473-M496 PolarHBondContact O-N 2.78Å
474	A	98.6	Very high	93.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-25.2	175.6	0	0	0	0	0	113.3	I470 F471 L476 P495 F506 L510 F611	I470-A474 WeakPolarHBondContact O-CB 3.41Å; I470-A474 PolarHBondContact O-N 3.28Å; F471-A474 WeakPolarHBondContact O-CB 3.35Å; F471-A474 PolarHBondContact O-N 2.94Å; F471-A474 VanDerWaalsContact O-N 3.11Å; A474-L476 VanDerWaalsContact C-N 3.34Å; A474-P495 WeakPolarHBondContact O-CB 3.09Å; A474-F506 HydrophobicContact CB-CZ 4.25Å; A474-L510 HydrophobicContact CB-CD1 4.11Å; A474-L510 HydrophobicContact CB-CD2 3.87Å; A474-F611 HydrophobicContact CB-CE1 4.12Å; A474-F611 HydrophobicContact CB-CZ 3.84Å
475	C	98.2	Very high	92.7	Very high	17 Å²	17	19.2 Å²	19.2	12%	0.115	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	3	177	-61.3	0	0	0	0	114	F471 T472 G473 K477 V607	F471-C475 WeakPolarHBondContact CE2-SG 3.45Å; F471-C475 VanDerWaalsContact CZ-SG 3.52Å; F471-C475 PolarHBondContact O-N 2.98Å; F471-C475 PolarHBondContact O-SG 3.42Å; T472-C475 PolarHBondContact O-N 3.32Å; G473-C475 PolarHBondContact O-N 3.35Å; C475-K477 PolarHBondContact O-N 3.14Å; C475-V607 HydrophobicContact CB-CG1 4.46Å; C475-V607 HydrophobicContact CB-CG2 4.38Å; C475-V607 VanDerWaalsContact SG-CG1 3.57Å
476	L	97.6	Very high	91.6	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.01	11%	0.109	C	C	.	.			trans	-59.9	127.6	-172.1	-166.2	156.4	0	0	0	111.2	P300 F449 G473 A474 D494	P300-L476 HydrophobicContact CG-CD2 3.56Å; F449-L476 HydrophobicContact CB-CD1 4.09Å; F449-L476 HydrophobicContact CD1-CD1 4.15Å; G473-L476 VanDerWaalsContact O-CB 3.23Å; G473-L476 WeakPolarHBondContact O-CB 3.34Å; G473-L476 PolarHBondContact O-N 3.36Å; A474-L476 VanDerWaalsContact C-N 3.34Å; L476-D494 HydrophobicContact CD2-CB 4.2Å; L476-D494 VanDerWaalsContact CD2-O 3.25Å; L476-D494 WeakPolarHBondContact CD2-O 3.5Å; L476-D494 CarbonylContact O-C 3.59Å; L476-D494 PolarHBondContact O-N 2.9Å
477	K	96.2	Very high	90.1	Very high	7 Å²	7	22.3 Å²	22.3	3%	0.03	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.5	175.7	-79.5	176.1	-84.7	-166.6	0	110.7	R453 C475 I491 M492 H493 D603 E606	R453-K477 WeakPolarHBondContact CD-O 3.34Å; C475-K477 PolarHBondContact O-N 3.14Å; K477-I491 HydrophobicContact CB-CG2 3.85Å; K477-I491 HydrophobicContact CD-CG2 4.2Å; K477-I491 HydrophobicContact CG-CG2 4.29Å; K477-M492 CarbonylContact C-O 3.46Å; K477-M492 VanDerWaalsContact CA-O 3.26Å; K477-M492 WeakPolarHBondContact CA-O 3.31Å; K477-H493 WeakPolarHBondContact CG-ND1 3.34Å; K477-D603 WeakPolarHBondContact CE-OD1 3.3Å; K477-D603 IonicContact NZ-OD1 2.64Å; K477-D603 PolarHBondContact NZ-OD1 3.21Å; K477-D603 IonicContact NZ-OD2 3.55Å; K477-D603 PolarHBondContact NZ-OD2 3.44Å; K477-E606 IonicContact NZ-OE2 3.52Å; K477-E606 PolarHBondContact NZ-OE2 3.39Å
478	S	93.7	Very high	88.7	Confident	4 Å²	4	22.7 Å²	22.7	3%	0.028	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	150.5	176.3	-174.7	0	0	0	0	111.8	C303 R452 M492	C303-S478 PolarHBondContact SG-OG 2.99Å; R452-S478 PolarHBondContact N-OG 2.71Å; R452-S478 WeakPolarHBondContact O-CA 3.34Å; S478-M492 PolarHBondContact N-O 2.87Å; S478-M492 PolarHBondContact O-N 2.85Å
479	E	91	Very high	87.6	Confident	33 Å²	33	30.9 Å²	30.9	15%	0.154	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	138.4	163.9	-67	-176.9	150.5	0	0	110.9	R452 S490 I491	R452-E479 HydrophobicContact CB-CB 3.9Å; R452-E479 HydrophobicContact CB-CG 4.1Å; R452-E479 PolarHBondContact O-N 2.91Å; R452-E479 VanDerWaalsContact O-N 3.09Å; E479-S490 CarbonylContact C-O 3.49Å; E479-S490 WeakPolarHBondContact CA-O 3.22Å; E479-I491 HydrophobicContact CB-CD1 4.37Å; E479-I491 HydrophobicContact CG-CD1 3.46Å; E479-I491 VanDerWaalsContact CG-CD1 3.46Å
480	A	86.4	Confident	87	Confident	19 Å²	19	33.9 Å²	33.9	16%	0.157	21%	0.211	C	C	.	.			trans	-58.4	148.5	174	0	0	0	0	0	111.9	H486 S490 M492	A480-H486 HydrophobicContact CB-CB 4.2Å; A480-S490 PolarHBondContact N-O 2.86Å; A480-M492 HydrophobicContact CB-CG 4.31Å; A480-M492 HydrophobicContact CB-SD 3.73Å
481	T	82	Confident	86.6	Confident	33 Å²	33	37.2 Å²	37.2	20%	0.202	23%	0.228	C	C	.	.			trans	-133.3	161.1	-177.8	74.4	0	0	0	0	111.4	S301 A302 A483	S301-T481 WeakPolarHBondContact O-CG2 3.4Å; S301-T481 PolarHBondContact O-OG1 3.2Å; A302-T481 HydrophobicContact CB-CG2 4.05Å; T481-A483 PolarHBondContact O-N 2.97Å
482	A	82.5	Confident	86.3	Confident	44 Å²	44	39.6 Å²	39.6	36%	0.364	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	7.4	-178.3	0	0	0	0	0	114.9	P418 N419 A484	P418-A482 HydrophobicContact CB-CB 3.71Å; N419-A482 HydrophobicContact CB-CB 4.35Å; N419-A482 WeakPolarHBondContact CB-O 3.23Å; A482-A484 PolarHBondContact O-N 2.89Å
483	A	72.8	Confident	86.2	Confident	3 Å²	3	40.1 Å²	40.1	3%	0.025	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-3.2	-178.5	0	0	0	0	0	114.3	R101 S301 T481	R101-A483 PolarHBondContact NE-O 3.12Å; R101-A483 PolarHBondContact NH2-O 3.11Å; S301-A483 VanDerWaalsContact CB-CB 3.43Å; T481-A483 PolarHBondContact O-N 2.97Å
484	A	79.6	Confident	86.1	Confident	12 Å²	12	40.9 Å²	40.9	10%	0.099	25%	0.246	C	C	.	.	S	Bend	trans	-151	-171.1	176.7	0	0	0	0	0	109.1	R101 E103 A482 H486	R101-A484 WeakPolarHBondContact O-CA 3.2Å; E103-A484 HydrophobicContact CG-CB 4.09Å; E103-A484 VanDerWaalsContact OE1-CB 3.3Å; E103-A484 WeakPolarHBondContact OE1-CB 3.44Å; A482-A484 PolarHBondContact O-N 2.89Å; A484-H486 PolarHBondContact O-N 2.87Å
485	E	80.6	Confident	86.1	Confident	89 Å²	89	40.9 Å²	40.9	42%	0.416	25%	0.246	S	C	.	.	S	Bend	trans	-75.7	1.7	-176.4	70	-152.7	140.7	0	0	115.5	E103 S104 A487	E103-E485 PolarHBondContact N-OE1 2.77Å; S104-E485 WeakPolarHBondContact CB-OE1 3.42Å; S104-E485 PolarHBondContact N-OE1 2.63Å; S104-E485 PolarHBondContact OG-OE1 2.81Å; S104-E485 PolarHBondContact OG-OE2 3.49Å; E485-A487 PolarHBondContact O-N 3.33Å
486	H	75.7	Confident	86.1	Confident	57 Å²	57	40.1 Å²	40.1	26%	0.264	24%	0.241	S	C	.	.			trans	-77.5	120.9	-178.2	-58.8	-65.7	0	0	0	111.2	E103 A480 A484 M492 R499	E103-H486 IonicContact OE1-NE2 2.74Å; E103-H486 IonicContact OE2-CD2 3.38Å; E103-H486 IonicContact OE2-CE1 3.88Å; E103-H486 IonicContact OE2-NE2 3.92Å; E103-H486 PolarHBondContact OE2-NE2 2.92Å; A480-H486 HydrophobicContact CB-CB 4.2Å; A484-H486 PolarHBondContact O-N 2.87Å; H486-M492 HydrophobicContact CB-SD 4.2Å; H486-R499 PolarHBondContact CD2-NH2 3.38Å; H486-R499 PolarHBondContact NE2-NH1 3.38Å; H486-R499 PolarHBondContact NE2-NH2 3.06Å
487	A	66	Low	86.2	Confident	92 Å²	92	40 Å²	40	76%	0.76	24%	0.24	S	C	*	.			trans	-100.2	146.3	178	0	0	0	0	0	112.2	E485	E485-A487 PolarHBondContact O-N 3.33Å
488	G	68.3	Low	86.2	Confident	55 Å²	55	39.7 Å²	39.7	57%	0.567	24%	0.239	S	C	*	.	S	Bend	trans	97.2	-179.9	173.9	0	0	0	0	0	114.6
489	K	75.7	Confident	86.4	Confident	172 Å²	172	40.5 Å²	40.5	75%	0.748	24%	0.241	S	C	*	.	S	Bend	trans	-104	36.9	178.2	-64.5	-173.4	175.8	-174.7	0	111.9
490	S	87.2	Confident	86.6	Confident	63 Å²	63	39.7 Å²	39.7	44%	0.441	24%	0.239	S	C	.	.			trans	-72.7	142.4	175.2	50.8	0	0	0	0	110.2	E479 A480	E479-S490 CarbonylContact C-O 3.49Å; E479-S490 WeakPolarHBondContact CA-O 3.22Å; A480-S490 PolarHBondContact N-O 2.86Å
491	I	90.6	Very high	87.1	Confident	71 Å²	71	38.8 Å²	38.8	36%	0.364	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	128.7	169.8	-58.8	-66.1	0	0	0	108	P454 K477 E479	P454-I491 HydrophobicContact CG-CD1 4.49Å; K477-I491 HydrophobicContact CB-CG2 3.85Å; K477-I491 HydrophobicContact CD-CG2 4.2Å; K477-I491 HydrophobicContact CG-CG2 4.29Å; E479-I491 HydrophobicContact CB-CD1 4.37Å; E479-I491 HydrophobicContact CG-CD1 3.46Å; E479-I491 VanDerWaalsContact CG-CD1 3.46Å
492	M	93.1	Very high	87.9	Confident	51 Å²	51	37.4 Å²	37.4	25%	0.251	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.7	178.7	-56.1	-174.2	79.3	0	0	109.6	K477 S478 A480 H486 D494	K477-M492 CarbonylContact C-O 3.46Å; K477-M492 VanDerWaalsContact CA-O 3.26Å; K477-M492 WeakPolarHBondContact CA-O 3.31Å; S478-M492 PolarHBondContact N-O 2.87Å; S478-M492 PolarHBondContact O-N 2.85Å; A480-M492 HydrophobicContact CB-CG 4.31Å; A480-M492 HydrophobicContact CB-SD 3.73Å; H486-M492 HydrophobicContact CB-SD 4.2Å; M492-D494 PolarHBondContact O-N 3.36Å
493	H	96.2	Very high	88.6	Confident	19 Å²	19	35.3 Å²	35.3	9%	0.088	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	131.5	163.7	-72.3	-79.2	0	0	0	109.2	I127 K477 P495 R499 E606 F610	I127-H493 HydrophobicContact CD1-CB 4.23Å; K477-H493 WeakPolarHBondContact CG-ND1 3.34Å; H493-P495 HydrophobicContact CB-CG 4.5Å; H493-R499 VanDerWaalsContact O-CD 3.32Å; H493-R499 WeakPolarHBondContact O-CD 3.36Å; H493-E606 IonicContact CD2-OE1 3.62Å; H493-E606 IonicContact CE1-OE1 2.78Å; H493-E606 IonicContact CE1-OE2 3.67Å; H493-E606 PolarHBondContact CE1-OE2 3.47Å; H493-E606 VanDerWaalsContact CE1-OE2 3.32Å; H493-E606 VanDerWaalsContact NE2-CD 3.28Å; H493-E606 IonicContact NE2-OE1 2.84Å; H493-E606 PolarHBondContact NE2-OE1 2.94Å; H493-E606 IonicContact NE2-OE2 2.66Å; H493-E606 PolarHBondContact NE2-OE2 3.46Å; H493-E606 VanDerWaalsContact NE2-OE2 3.15Å; H493-F610 HydrophobicContact CB-CD2 4.19Å; H493-F610 HydrophobicContact CB-CE2 3.88Å; H493-F610 HydrophobicContact CB-CZ 4.06Å; H493-F610 AromaticContact CD2-CD2 3.55Å; H493-F610 AromaticContact CD2-CG 3.71Å; H493-F610 AromaticContact CE1-CD1 3.77Å; H493-F610 AromaticContact CE1-CG 3.62Å; H493-F610 AromaticContact CG-CD2 3.69Å; H493-F610 AromaticContact CG-CE2 3.88Å; H493-F610 AromaticContact CG-CG 3.82Å; H493-F610 AromaticContact ND1-CD1 3.72Å; H493-F610 AromaticContact ND1-CE1 3.99Å; H493-F610 AromaticContact ND1-CG 3.81Å; H493-F610 WeakPolarHBondContact NE2-CB 3.41Å; H493-F610 AromaticContact NE2-CD2 3.9Å; H493-F610 AromaticContact NE2-CG 3.57Å
494	D	97.1	Very high	89.8	Confident	15 Å²	15	35.3 Å²	35.3	8%	0.08	21%	0.205	C	C	.	.			trans	-137	67.6	167.6	-166.6	-10	0	0	0	109.1	P300 L476 M492 M496 A497 M498 R499	P300-D494 VanDerWaalsContact CB-OD2 3.26Å; P300-D494 WeakPolarHBondContact CB-OD2 3.34Å; P300-D494 HydrophobicContact CG-CB 3.89Å; P300-D494 WeakPolarHBondContact CG-OD2 3.4Å; L476-D494 HydrophobicContact CD2-CB 4.2Å; L476-D494 VanDerWaalsContact CD2-O 3.25Å; L476-D494 WeakPolarHBondContact CD2-O 3.5Å; L476-D494 CarbonylContact O-C 3.59Å; L476-D494 PolarHBondContact O-N 2.9Å; M492-D494 PolarHBondContact O-N 3.36Å; D494-M496 PolarHBondContact O-N 2.83Å; D494-A497 WeakPolarHBondContact O-CA 3.45Å; D494-A497 PolarHBondContact O-N 2.91Å; D494-A497 WeakPolarHBondContact OD1-CA 3.27Å; D494-M498 PolarHBondContact OD1-N 2.86Å; D494-R499 HydrophobicContact CB-CB 4.38Å; D494-R499 WeakPolarHBondContact OD1-CB 3.28Å; D494-R499 PolarHBondContact OD1-N 2.8Å
495	P	98.1	Very high	90.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-54	129.6	-173.2	-25	35.2	0	0	0	111.1	M128 A474 H493 A497 M498 F506 F610	M128-P495 HydrophobicContact CE-CB 4.07Å; M128-P495 HydrophobicContact CE-CG 4.08Å; M128-P495 HydrophobicContact SD-CB 4.49Å; M128-P495 HydrophobicContact SD-CG 3.84Å; A474-P495 WeakPolarHBondContact O-CB 3.09Å; H493-P495 HydrophobicContact CB-CG 4.5Å; P495-A497 PolarHBondContact O-N 2.93Å; P495-M498 PolarHBondContact O-N 3.09Å; P495-F506 HydrophobicContact CB-CE1 3.93Å; P495-F506 HydrophobicContact CB-CE2 3.92Å; P495-F506 HydrophobicContact CB-CZ 3.32Å; P495-F506 HydrophobicContact CG-CE1 4.17Å; P495-F506 HydrophobicContact CG-CZ 4.06Å; P495-F610 HydrophobicContact CG-CE1 3.98Å; P495-F610 HydrophobicContact CG-CZ 3.68Å
496	M	98.3	Very high	91.5	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	59.5	15.2	179.2	-52	-79.8	-71.1	0	0	113.5	F449 G473 D494 M498 F506 Y509 W513	F449-M496 HydrophobicContact CE1-CB 4.37Å; F449-M496 HydrophobicContact CE1-CE 4.11Å; F449-M496 HydrophobicContact CE1-SD 3.77Å; F449-M496 HydrophobicContact CE2-SD 4.21Å; F449-M496 HydrophobicContact CZ-CE 3.6Å; F449-M496 HydrophobicContact CZ-SD 3.47Å; F449-M496 WeakPolarHBondContact CZ-SD 3.36Å; G473-M496 VanDerWaalsContact C-SD 3.56Å; G473-M496 VanDerWaalsContact CA-SD 3.59Å; G473-M496 PolarHBondContact O-N 2.78Å; D494-M496 PolarHBondContact O-N 2.83Å; M496-M498 HydrophobicContact CB-CB 4.29Å; M496-M498 HydrophobicContact CB-CG 4.33Å; M496-M498 PolarHBondContact O-N 2.99Å; M496-F506 HydrophobicContact CG-CE2 4.43Å; M496-Y509 HydrophobicContact CB-CE1 4.21Å; M496-Y509 HydrophobicContact CE-CE1 3.95Å; M496-Y509 HydrophobicContact CG-CE1 3.87Å; M496-W513 HydrophobicContact CE-CD2 3.55Å; M496-W513 HydrophobicContact CE-CE3 4.04Å; M496-W513 HydrophobicContact CE-CG 4.02Å; M496-W513 HydrophobicContact CE-CH2 4Å; M496-W513 HydrophobicContact CE-CZ2 3.48Å; M496-W513 VanDerWaalsContact CE-CZ2 3.48Å; M496-W513 HydrophobicContact CE-CZ3 4.24Å
497	A	98.1	Very high	92.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	55.5	23.7	-166.3	0	0	0	0	0	114	H279 A298 F299 P300 D494 P495	H279-A497 PolarHBondContact ND1-O 3.37Å; A298-A497 HydrophobicContact CB-CB 4.1Å; F299-A497 VanDerWaalsContact C-CB 3.46Å; P300-A497 HydrophobicContact CG-CB 4.25Å; D494-A497 WeakPolarHBondContact O-CA 3.45Å; D494-A497 PolarHBondContact O-N 2.91Å; D494-A497 WeakPolarHBondContact OD1-CA 3.27Å; P495-A497 PolarHBondContact O-N 2.93Å
498	M	98.2	Very high	94.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.			trans	-111.8	2.2	-171.9	-78.9	-68.6	-76.2	0	0	113.7	L263 H279 D494 P495 M496 F501 M502 Y509	L263-M498 HydrophobicContact CD2-SD 4.18Å; H279-M498 HydrophobicContact CB-SD 3.76Å; D494-M498 PolarHBondContact OD1-N 2.86Å; P495-M498 PolarHBondContact O-N 3.09Å; M496-M498 HydrophobicContact CB-CB 4.29Å; M496-M498 HydrophobicContact CB-CG 4.33Å; M496-M498 PolarHBondContact O-N 2.99Å; M498-F501 HydrophobicContact CE-CB 4.11Å; M498-F501 CarbonylContact O-C 3.54Å; M498-F501 PolarHBondContact O-N 3.48Å; M498-F501 HydrophobicContact SD-CB 3.89Å; M498-F501 HydrophobicContact SD-CD2 4.33Å; M498-M502 HydrophobicContact CB-CE 3.86Å; M498-M502 PolarHBondContact O-N 3.17Å; M498-Y509 HydrophobicContact CE-CE2 4.46Å
499	R	96.9	Very high	95.6	Very high	21 Å²	21	25.7 Å²	25.7	8%	0.079	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-47.7	-177	178.8	-158.4	69	150.2	6	113.7	E103 I127 M128 H486 H493 D494 F501	E103-R499 IonicContact OE1-NH2 3.49Å; E103-R499 PolarHBondContact OE1-NH2 3.46Å; E103-R499 IonicContact OE2-CZ 2.97Å; E103-R499 IonicContact OE2-NH2 2.7Å; E103-R499 PolarHBondContact OE2-NH2 3.03Å; I127-R499 VanDerWaalsContact O-CG 3.23Å; I127-R499 WeakPolarHBondContact O-CG 3.11Å; M128-R499 CarbonylContact C-O 3.58Å; M128-R499 HydrophobicContact CE-CB 4.39Å; M128-R499 HydrophobicContact SD-CB 4.02Å; M128-R499 HydrophobicContact SD-CG 3.97Å; H486-R499 PolarHBondContact CD2-NH2 3.38Å; H486-R499 PolarHBondContact NE2-NH1 3.38Å; H486-R499 PolarHBondContact NE2-NH2 3.06Å; H493-R499 VanDerWaalsContact O-CD 3.32Å; H493-R499 WeakPolarHBondContact O-CD 3.36Å; D494-R499 HydrophobicContact CB-CB 4.38Å; D494-R499 WeakPolarHBondContact OD1-CB 3.28Å; D494-R499 PolarHBondContact OD1-N 2.8Å; R499-F501 VanDerWaalsContact C-N 3.29Å; R499-F501 PolarHBondContact O-N 3.29Å
500	P	95	Very high	96.7	Very high	17 Å²	17	17.5 Å²	17.5	11%	0.11	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5.8	-177.8	36.8	-36.4	0	0	0	114.1	R101 E103 R264	R101-P500 VanDerWaalsContact NH1-CG 3.29Å; E103-P500 HydrophobicContact CG-CB 4.03Å; E103-P500 VanDerWaalsContact OE1-CB 3.24Å; E103-P500 WeakPolarHBondContact OE1-CB 3.36Å; R264-P500 PolarHBondContact NE-O 3.46Å; R264-P500 PolarHBondContact NH2-O 3.03Å
501	F	97.7	Very high	97.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	4.9	-169.9	-49.2	-58.7	0	0	0	113.3	K259 L263 R264 H279 M498 R499 G503	K259-F501 HydrophobicContact CB-CD1 4.24Å; K259-F501 HydrophobicContact CB-CE1 4.13Å; K259-F501 HydrophobicContact CD-CD1 4.05Å; K259-F501 HydrophobicContact CD-CE1 3.52Å; K259-F501 HydrophobicContact CD-CZ 4.01Å; K259-F501 HydrophobicContact CG-CD1 4.38Å; K259-F501 HydrophobicContact CG-CE1 3.82Å; L263-F501 HydrophobicContact CB-CB 3.91Å; L263-F501 HydrophobicContact CB-CG 4.49Å; L263-F501 HydrophobicContact CD1-CB 3.76Å; L263-F501 HydrophobicContact CD1-CD1 3.79Å; L263-F501 HydrophobicContact CD1-CD2 3.78Å; L263-F501 HydrophobicContact CD1-CE1 4.3Å; L263-F501 HydrophobicContact CD1-CE2 4.32Å; L263-F501 HydrophobicContact CD1-CG 3.5Å; L263-F501 VanDerWaalsContact CD1-CG 3.5Å; L263-F501 HydrophobicContact CG-CB 4.47Å; R264-F501 WeakPolarHBondContact CG-O 3.16Å; H279-F501 HydrophobicContact CB-CD2 4.21Å; H279-F501 HydrophobicContact CB-CE2 4.44Å; H279-F501 AromaticContact CE1-CE2 3.46Å; H279-F501 VanDerWaalsContact CE1-CE2 3.46Å; H279-F501 WeakPolarHBondContact CE1-CE2 3.32Å; H279-F501 AromaticContact CG-CE2 3.8Å; H279-F501 AromaticContact ND1-CD2 3.93Å; H279-F501 AromaticContact ND1-CE2 3.43Å; H279-F501 WeakPolarHBondContact ND1-CE2 3.48Å; H279-F501 AromaticContact NE2-CE2 3.84Å; M498-F501 HydrophobicContact CE-CB 4.11Å; M498-F501 CarbonylContact O-C 3.54Å; M498-F501 PolarHBondContact O-N 3.48Å; M498-F501 HydrophobicContact SD-CB 3.89Å; M498-F501 HydrophobicContact SD-CD2 4.33Å; R499-F501 VanDerWaalsContact C-N 3.29Å; R499-F501 PolarHBondContact O-N 3.29Å; F501-G503 PolarHBondContact O-N 2.96Å
502	M	97.8	Very high	97.6	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.02	7%	0.069	C	C	.	.			trans	-63.6	126.4	-179.2	-165.7	56.6	58.4	0	0	110.4	M128 M498 Y504 F506 Y509	M128-M502 HydrophobicContact CE-CE 3.7Å; M128-M502 WeakPolarHBondContact O-CB 3.34Å; M498-M502 HydrophobicContact CB-CE 3.86Å; M498-M502 PolarHBondContact O-N 3.17Å; M502-Y504 WeakPolarHBondContact CG-O 3.32Å; M502-F506 HydrophobicContact CE-CB 4.47Å; M502-F506 HydrophobicContact CE-CD2 3.5Å; M502-F506 VanDerWaalsContact CE-CD2 3.5Å; M502-F506 HydrophobicContact CE-CE2 4.17Å; M502-F506 HydrophobicContact CE-CG 4.36Å; M502-F506 HydrophobicContact SD-CD2 4.43Å; M502-Y509 HydrophobicContact CE-CD1 4.11Å; M502-Y509 HydrophobicContact CE-CD2 4.13Å; M502-Y509 HydrophobicContact CE-CE1 4.43Å; M502-Y509 HydrophobicContact CE-CE2 4.42Å; M502-Y509 HydrophobicContact CE-CG 3.96Å; M502-Y509 HydrophobicContact SD-CD1 4.49Å; M502-Y509 HydrophobicContact SD-CD2 3.78Å; M502-Y509 HydrophobicContact SD-CE2 4.5Å; M502-Y509 HydrophobicContact SD-CG 3.77Å
503	G	97.3	Very high	97.9	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.057	C	C	.	.			trans	-89.6	-21	178.9	0	0	0	0	0	114.1	M108 R264 S267 N268 F501	M108-G503 VanDerWaalsContact CE-O 3.29Å; M108-G503 WeakPolarHBondContact CE-O 3.43Å; R264-G503 WeakPolarHBondContact O-CA 3.38Å; S267-G503 WeakPolarHBondContact OG-CA 3.4Å; S267-G503 PolarHBondContact OG-N 3.01Å; N268-G503 WeakPolarHBondContact ND2-CA 3.31Å; N268-G503 PolarHBondContact ND2-O 2.91Å; F501-G503 PolarHBondContact O-N 2.96Å
504	Y	98.2	Very high	98	Very high	2 Å²	2	12 Å²	12	1%	0.008	6%	0.057	C	C	.	.	S	Bend	trans	-155.7	174.5	-174.2	62.5	-81.6	0	0	0	110.3	A115 T116 S267 R271 M502 F506 K508 Y509	A115-Y504 WeakPolarHBondContact O-CA 3.24Å; A115-Y504 WeakPolarHBondContact O-CB 3.19Å; T116-Y504 CarbonylContact O-C 3.45Å; S267-Y504 VanDerWaalsContact O-CE1 3.23Å; S267-Y504 WeakPolarHBondContact O-CE1 3.42Å; R271-Y504 HydrophobicContact CB-CE1 4.06Å; R271-Y504 HydrophobicContact CB-CE2 4.35Å; R271-Y504 HydrophobicContact CG-CE2 4.09Å; M502-Y504 WeakPolarHBondContact CG-O 3.32Å; Y504-F506 PolarHBondContact O-N 2.99Å; Y504-K508 HydrophobicContact CD2-CB 4.03Å; Y504-K508 HydrophobicContact CE2-CB 4.03Å; Y504-Y509 HydrophobicContact CE1-CD2 4.22Å; Y504-Y509 VanDerWaalsContact CE2-CA 3.46Å; Y504-Y509 WeakPolarHBondContact OH-CA 3.41Å
505	N	98.3	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.			trans	-45.6	123.7	-176.5	179.6	-53.9	0	0	0	112.7	F114 A115 T116 V117 T118 G507 K508 Y509 D618	F114-N505 WeakPolarHBondContact O-CB 3.32Å; F114-N505 PolarHBondContact O-ND2 2.9Å; F114-N505 VanDerWaalsContact O-ND2 3.09Å; A115-N505 PolarHBondContact O-N 2.87Å; T116-N505 WeakPolarHBondContact O-CA 3.43Å; T116-N505 PolarHBondContact O-N 2.97Å; T116-N505 VanDerWaalsContact O-N 3.09Å; V117-N505 PolarHBondContact O-ND2 3.18Å; T118-N505 WeakPolarHBondContact CG2-OD1 3.47Å; N505-G507 VanDerWaalsContact C-N 3.34Å; N505-G507 PolarHBondContact O-N 3.43Å; N505-G507 WeakPolarHBondContact OD1-CA 3.33Å; N505-G507 PolarHBondContact OD1-N 3.34Å; N505-K508 HydrophobicContact CB-CB 4.26Å; N505-K508 HydrophobicContact CB-CD 4.07Å; N505-K508 HydrophobicContact CB-CG 4.08Å; N505-K508 WeakPolarHBondContact O-CB 3.47Å; N505-K508 PolarHBondContact O-N 3.22Å; N505-K508 VanDerWaalsContact O-N 3.11Å; N505-K508 PolarHBondContact OD1-N 3.47Å; N505-Y509 PolarHBondContact O-N 3.37Å; N505-D618 PolarHBondContact ND2-OD2 3.08Å
506	F	98.6	Very high	98	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.009	8%	0.075	C	C	.	.	H	α-helix	trans	-62.8	-35.6	-174.1	175.9	-127.5	0	0	0	113.4	T118 M128 A474 P495 M496 M502 Y504 K508 Y509 L510 V615	T118-F506 HydrophobicContact CG2-CB 4.13Å; M128-F506 HydrophobicContact CB-CB 4.25Å; M128-F506 HydrophobicContact CE-CB 4.29Å; M128-F506 HydrophobicContact CE-CD1 4.12Å; M128-F506 HydrophobicContact CE-CD2 3.65Å; M128-F506 HydrophobicContact CE-CE1 4.39Å; M128-F506 HydrophobicContact CE-CE2 3.93Å; M128-F506 HydrophobicContact CE-CG 3.75Å; M128-F506 HydrophobicContact CE-CZ 4.3Å; M128-F506 HydrophobicContact CG-CB 4.06Å; M128-F506 HydrophobicContact CG-CD1 4.13Å; M128-F506 HydrophobicContact CG-CG 4.16Å; A474-F506 HydrophobicContact CB-CZ 4.25Å; P495-F506 HydrophobicContact CB-CE1 3.93Å; P495-F506 HydrophobicContact CB-CE2 3.92Å; P495-F506 HydrophobicContact CB-CZ 3.32Å; P495-F506 HydrophobicContact CG-CE1 4.17Å; P495-F506 HydrophobicContact CG-CZ 4.06Å; M496-F506 HydrophobicContact CG-CE2 4.43Å; M502-F506 HydrophobicContact CE-CB 4.47Å; M502-F506 HydrophobicContact CE-CD2 3.5Å; M502-F506 VanDerWaalsContact CE-CD2 3.5Å; M502-F506 HydrophobicContact CE-CE2 4.17Å; M502-F506 HydrophobicContact CE-CG 4.36Å; M502-F506 HydrophobicContact SD-CD2 4.43Å; Y504-F506 PolarHBondContact O-N 2.99Å; F506-K508 VanDerWaalsContact C-N 3.34Å; F506-K508 PolarHBondContact O-N 3.32Å; F506-Y509 AromaticContact CD2-CD1 3.86Å; F506-Y509 HydrophobicContact CD2-CD1 3.86Å; F506-Y509 HydrophobicContact CD2-CG 4.43Å; F506-Y509 AromaticContact CE2-CD1 3.89Å; F506-Y509 HydrophobicContact CE2-CD1 3.89Å; F506-Y509 HydrophobicContact CE2-CE1 4.27Å; F506-Y509 WeakPolarHBondContact O-CA 3.49Å; F506-Y509 WeakPolarHBondContact O-CB 3.35Å; F506-Y509 PolarHBondContact O-N 3.34Å; F506-Y509 VanDerWaalsContact O-N 3.11Å; F506-L510 HydrophobicContact CD1-CD1 4.43Å; F506-L510 HydrophobicContact CD2-CG 4.25Å; F506-L510 HydrophobicContact CE1-CD1 3.85Å; F506-L510 HydrophobicContact CE1-CG 4.32Å; F506-L510 HydrophobicContact CE2-CD1 4.21Å; F506-L510 HydrophobicContact CE2-CD2 3.69Å; F506-L510 HydrophobicContact CE2-CG 3.78Å; F506-L510 HydrophobicContact CZ-CD1 3.72Å; F506-L510 HydrophobicContact CZ-CD2 3.73Å; F506-L510 HydrophobicContact CZ-CG 3.8Å; F506-L510 WeakPolarHBondContact O-CG 3.43Å; F506-L510 PolarHBondContact O-N 3.18Å; F506-V615 HydrophobicContact CD1-CG2 3.94Å; F506-V615 HydrophobicContact CE1-CG2 4.22Å
507	G	98.5	Very high	98	Very high	2 Å²	2	15.8 Å²	15.8	2%	0.021	8%	0.079	C	C	.	.	H	α-helix	trans	-61.8	-43.2	173.8	0	0	0	0	0	112	N505 Y509 L510 Q511 D618	N505-G507 VanDerWaalsContact C-N 3.34Å; N505-G507 PolarHBondContact O-N 3.43Å; N505-G507 WeakPolarHBondContact OD1-CA 3.33Å; N505-G507 PolarHBondContact OD1-N 3.34Å; G507-Y509 VanDerWaalsContact C-N 3.28Å; G507-Y509 PolarHBondContact O-N 3.22Å; G507-L510 PolarHBondContact O-N 3.3Å; G507-Q511 PolarHBondContact O-N 3.24Å; G507-D618 WeakPolarHBondContact CA-O 3.2Å
508	K	98.4	Very high	97.9	Very high	99 Å²	99	20.8 Å²	20.8	43%	0.43	10%	0.101	S	C	.	.	H	α-helix	trans	-64.1	-33.4	172.3	-63	-176.6	-177.5	168.2	0	112.2	Y504 N505 F506 Q511 H512	Y504-K508 HydrophobicContact CD2-CB 4.03Å; Y504-K508 HydrophobicContact CE2-CB 4.03Å; N505-K508 HydrophobicContact CB-CB 4.26Å; N505-K508 HydrophobicContact CB-CD 4.07Å; N505-K508 HydrophobicContact CB-CG 4.08Å; N505-K508 WeakPolarHBondContact O-CB 3.47Å; N505-K508 PolarHBondContact O-N 3.22Å; N505-K508 VanDerWaalsContact O-N 3.11Å; N505-K508 PolarHBondContact OD1-N 3.47Å; F506-K508 VanDerWaalsContact C-N 3.34Å; F506-K508 PolarHBondContact O-N 3.32Å; K508-Q511 PolarHBondContact O-N 3.39Å; K508-H512 WeakPolarHBondContact O-CB 3.3Å; K508-H512 PolarHBondContact O-N 2.81Å
509	Y	98.8	Very high	97.7	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-65.6	-43.1	174.8	167.4	-78.7	0	0	0	111.7	E278 M496 M498 M502 Y504 N505 F506 G507 H512 W513	E278-Y509 VanDerWaalsContact CD-OH 3.23Å; E278-Y509 PolarHBondContact OE1-OH 2.54Å; E278-Y509 PolarHBondContact OE2-OH 2.84Å; M496-Y509 HydrophobicContact CB-CE1 4.21Å; M496-Y509 HydrophobicContact CE-CE1 3.95Å; M496-Y509 HydrophobicContact CG-CE1 3.87Å; M498-Y509 HydrophobicContact CE-CE2 4.46Å; M502-Y509 HydrophobicContact CE-CD1 4.11Å; M502-Y509 HydrophobicContact CE-CD2 4.13Å; M502-Y509 HydrophobicContact CE-CE1 4.43Å; M502-Y509 HydrophobicContact CE-CE2 4.42Å; M502-Y509 HydrophobicContact CE-CG 3.96Å; M502-Y509 HydrophobicContact SD-CD1 4.49Å; M502-Y509 HydrophobicContact SD-CD2 3.78Å; M502-Y509 HydrophobicContact SD-CE2 4.5Å; M502-Y509 HydrophobicContact SD-CG 3.77Å; Y504-Y509 HydrophobicContact CE1-CD2 4.22Å; Y504-Y509 VanDerWaalsContact CE2-CA 3.46Å; Y504-Y509 WeakPolarHBondContact OH-CA 3.41Å; N505-Y509 PolarHBondContact O-N 3.37Å; F506-Y509 AromaticContact CD2-CD1 3.86Å; F506-Y509 HydrophobicContact CD2-CD1 3.86Å; F506-Y509 HydrophobicContact CD2-CG 4.43Å; F506-Y509 AromaticContact CE2-CD1 3.89Å; F506-Y509 HydrophobicContact CE2-CD1 3.89Å; F506-Y509 HydrophobicContact CE2-CE1 4.27Å; F506-Y509 WeakPolarHBondContact O-CA 3.49Å; F506-Y509 WeakPolarHBondContact O-CB 3.35Å; F506-Y509 PolarHBondContact O-N 3.34Å; F506-Y509 VanDerWaalsContact O-N 3.11Å; G507-Y509 VanDerWaalsContact C-N 3.28Å; G507-Y509 PolarHBondContact O-N 3.22Å; Y509-H512 WeakPolarHBondContact O-CB 3.35Å; Y509-H512 PolarHBondContact O-N 2.98Å; Y509-W513 AromaticContact CE1-CD1 3.47Å; Y509-W513 VanDerWaalsContact CE1-CD1 3.47Å; Y509-W513 HydrophobicContact CE1-CG 4.5Å; Y509-W513 AromaticContact CE1-NE1 3.55Å; Y509-W513 AromaticContact CE2-CD1 3.99Å; Y509-W513 AromaticContact CE2-NE1 3.68Å; Y509-W513 AromaticContact CZ-CD1 3.49Å; Y509-W513 VanDerWaalsContact CZ-CD1 3.49Å; Y509-W513 AromaticContact CZ-NE1 3.11Å; Y509-W513 PolarHBondContact O-N 2.97Å; Y509-W513 PolarHBondContact OH-NE1 2.78Å
510	L	98.8	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-42.9	174.3	-65.9	177.4	0	0	0	111.3	I470 A474 F506 G507 H512 W513 I514 L619 P620 I623	I470-L510 HydrophobicContact CG2-CD2 3.88Å; A474-L510 HydrophobicContact CB-CD1 4.11Å; A474-L510 HydrophobicContact CB-CD2 3.87Å; F506-L510 HydrophobicContact CD1-CD1 4.43Å; F506-L510 HydrophobicContact CD2-CG 4.25Å; F506-L510 HydrophobicContact CE1-CD1 3.85Å; F506-L510 HydrophobicContact CE1-CG 4.32Å; F506-L510 HydrophobicContact CE2-CD1 4.21Å; F506-L510 HydrophobicContact CE2-CD2 3.69Å; F506-L510 HydrophobicContact CE2-CG 3.78Å; F506-L510 HydrophobicContact CZ-CD1 3.72Å; F506-L510 HydrophobicContact CZ-CD2 3.73Å; F506-L510 HydrophobicContact CZ-CG 3.8Å; F506-L510 WeakPolarHBondContact O-CG 3.43Å; F506-L510 PolarHBondContact O-N 3.18Å; G507-L510 PolarHBondContact O-N 3.3Å; L510-H512 VanDerWaalsContact C-N 3.26Å; L510-H512 PolarHBondContact O-N 3.4Å; L510-W513 WeakPolarHBondContact O-CB 3.18Å; L510-W513 PolarHBondContact O-N 3.05Å; L510-I514 WeakPolarHBondContact O-CG1 3.44Å; L510-I514 PolarHBondContact O-N 2.6Å; L510-L619 HydrophobicContact CD1-CD1 4.34Å; L510-P620 HydrophobicContact CB-CG 3.84Å; L510-I623 HydrophobicContact CD1-CG1 4.44Å
511	Q	98.6	Very high	97.8	Very high	55 Å²	55	33.2 Å²	33.2	26%	0.257	18%	0.178	S	C	.	.	H	α-helix	trans	-61.7	-36.1	174.6	-168.7	64.7	60.8	0	0	112.1	G507 K508 I514 N515 P620	G507-Q511 PolarHBondContact O-N 3.24Å; K508-Q511 PolarHBondContact O-N 3.39Å; Q511-I514 PolarHBondContact O-N 2.68Å; Q511-N515 PolarHBondContact NE2-OD1 3.44Å; Q511-N515 WeakPolarHBondContact O-CB 3.42Å; Q511-N515 PolarHBondContact O-N 3.06Å; Q511-N515 PolarHBondContact O-ND2 3.38Å; Q511-P620 HydrophobicContact CB-CG 4.16Å
512	H	98.6	Very high	97.7	Very high	18 Å²	18	39.1 Å²	39.1	8%	0.083	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-48.1	175.2	-176.4	59.4	0	0	0	111.4	A270 W275 K508 Y509 L510 I514 N515 V516	A270-H512 PolarHBondContact O-NE2 3.33Å; W275-H512 PolarHBondContact O-NE2 3.45Å; K508-H512 WeakPolarHBondContact O-CB 3.3Å; K508-H512 PolarHBondContact O-N 2.81Å; Y509-H512 WeakPolarHBondContact O-CB 3.35Å; Y509-H512 PolarHBondContact O-N 2.98Å; L510-H512 VanDerWaalsContact C-N 3.26Å; L510-H512 PolarHBondContact O-N 3.4Å; H512-I514 VanDerWaalsContact C-N 3.29Å; H512-I514 PolarHBondContact O-N 2.95Å; H512-N515 PolarHBondContact O-N 2.77Å; H512-N515 VanDerWaalsContact O-N 3.09Å; H512-V516 WeakPolarHBondContact CE1-CG1 3.27Å; H512-V516 WeakPolarHBondContact O-CG2 3.39Å; H512-V516 PolarHBondContact O-N 2.84Å
513	W	98.7	Very high	97.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-54.8	-41.5	172.8	-93.4	81.3	0	0	0	113.3	L276 E278 M280 M330 I447 W466 I470 M496 Y509 L510 G517	L276-W513 HydrophobicContact CD1-CD2 4.23Å; L276-W513 HydrophobicContact CD1-CE3 4.34Å; L276-W513 HydrophobicContact CD1-CH2 4.12Å; L276-W513 HydrophobicContact CD1-CZ2 4.01Å; L276-W513 HydrophobicContact CD1-CZ3 4.29Å; L276-W513 HydrophobicContact CD2-CD2 4.27Å; L276-W513 HydrophobicContact CD2-CG 4.26Å; E278-W513 HydrophobicContact CG-CZ2 3.79Å; E278-W513 PolarHBondContact OE1-NE1 3.3Å; M280-W513 HydrophobicContact CE-CH2 3.83Å; M280-W513 HydrophobicContact CE-CZ2 4.06Å; M330-W513 HydrophobicContact CE-CH2 4.34Å; M330-W513 HydrophobicContact CE-CZ2 4.49Å; I447-W513 HydrophobicContact CD1-CH2 4.01Å; I447-W513 HydrophobicContact CD1-CZ3 4.04Å; W466-W513 AromaticContact CH2-CE3 3.86Å; W466-W513 HydrophobicContact CH2-CE3 3.86Å; W466-W513 AromaticContact CH2-CZ3 3.49Å; W466-W513 HydrophobicContact CH2-CZ3 3.49Å; W466-W513 VanDerWaalsContact CH2-CZ3 3.49Å; W466-W513 AromaticContact CZ2-CE3 3.52Å; W466-W513 HydrophobicContact CZ2-CE3 3.52Å; W466-W513 AromaticContact CZ2-CZ3 3.68Å; W466-W513 HydrophobicContact CZ2-CZ3 3.68Å; W466-W513 HydrophobicContact CZ3-CZ3 4.39Å; W466-W513 PolarHBondContact NE1-O 3.46Å; I470-W513 HydrophobicContact CD1-CB 3.87Å; I470-W513 HydrophobicContact CG1-CB 4.13Å; I470-W513 HydrophobicContact CG1-CE3 4.15Å; I470-W513 HydrophobicContact CG2-CB 4.27Å; M496-W513 HydrophobicContact CE-CD2 3.55Å; M496-W513 HydrophobicContact CE-CE3 4.04Å; M496-W513 HydrophobicContact CE-CG 4.02Å; M496-W513 HydrophobicContact CE-CH2 4Å; M496-W513 HydrophobicContact CE-CZ2 3.48Å; M496-W513 VanDerWaalsContact CE-CZ2 3.48Å; M496-W513 HydrophobicContact CE-CZ3 4.24Å; Y509-W513 AromaticContact CE1-CD1 3.47Å; Y509-W513 VanDerWaalsContact CE1-CD1 3.47Å; Y509-W513 HydrophobicContact CE1-CG 4.5Å; Y509-W513 AromaticContact CE1-NE1 3.55Å; Y509-W513 AromaticContact CE2-CD1 3.99Å; Y509-W513 AromaticContact CE2-NE1 3.68Å; Y509-W513 AromaticContact CZ-CD1 3.49Å; Y509-W513 VanDerWaalsContact CZ-CD1 3.49Å; Y509-W513 AromaticContact CZ-NE1 3.11Å; Y509-W513 PolarHBondContact O-N 2.97Å; Y509-W513 PolarHBondContact OH-NE1 2.78Å; L510-W513 WeakPolarHBondContact O-CB 3.18Å; L510-W513 PolarHBondContact O-N 3.05Å; W513-G517 PolarHBondContact O-N 3.05Å
514	I	98.6	Very high	97.8	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.082	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-49.4	174.6	-65.4	168.4	0	0	0	110.1	L467 I470 L510 Q511 H512 G517 P620 E622 I623	L467-I514 HydrophobicContact CD1-CD1 3.93Å; L467-I514 HydrophobicContact CD1-CG1 4.01Å; I470-I514 HydrophobicContact CD1-CB 4.41Å; I470-I514 HydrophobicContact CD1-CG1 3.7Å; L510-I514 WeakPolarHBondContact O-CG1 3.44Å; L510-I514 PolarHBondContact O-N 2.6Å; Q511-I514 PolarHBondContact O-N 2.68Å; H512-I514 VanDerWaalsContact C-N 3.29Å; H512-I514 PolarHBondContact O-N 2.95Å; I514-G517 PolarHBondContact O-N 3.07Å; I514-P620 HydrophobicContact CD1-CB 3.99Å; I514-P620 HydrophobicContact CD1-CG 4.46Å; I514-E622 HydrophobicContact CD1-CB 4.07Å; I514-I623 HydrophobicContact CD1-CD1 4.34Å; I514-I623 HydrophobicContact CD1-CG1 4.25Å
515	N	98.2	Very high	97.8	Very high	74 Å²	74	44.3 Å²	44.3	40%	0.396	23%	0.232	S	C	.	.	H	α-helix	trans	-65.5	-44.6	-174.6	-73.2	-21.8	0	0	0	112.8	Q511 H512 G517 K518	Q511-N515 PolarHBondContact NE2-OD1 3.44Å; Q511-N515 WeakPolarHBondContact O-CB 3.42Å; Q511-N515 PolarHBondContact O-N 3.06Å; Q511-N515 PolarHBondContact O-ND2 3.38Å; H512-N515 PolarHBondContact O-N 2.77Å; H512-N515 VanDerWaalsContact O-N 3.09Å; N515-G517 PolarHBondContact O-N 3.04Å; N515-K518 PolarHBondContact O-N 3.34Å; N515-K518 PolarHBondContact OD1-NZ 3.34Å
516	V	97.2	Very high	97.8	Very high	12 Å²	12	44.5 Å²	44.5	7%	0.073	23%	0.233	C	C	.	.	H	α-helix	trans	-69.6	-19.6	178.4	-58.7	0	0	0	0	112.3	L276 F332 H512 H521	L276-V516 HydrophobicContact CD1-CG2 4.09Å; L276-V516 HydrophobicContact CD2-CG2 3.96Å; L276-V516 HydrophobicContact CG-CG2 4.11Å; F332-V516 HydrophobicContact CD2-CB 4.49Å; F332-V516 WeakPolarHBondContact CD2-O 3.38Å; F332-V516 HydrophobicContact CE2-CB 4.4Å; F332-V516 HydrophobicContact CE2-CG2 4.34Å; F332-V516 WeakPolarHBondContact CE2-O 3.25Å; H512-V516 WeakPolarHBondContact CE1-CG1 3.27Å; H512-V516 WeakPolarHBondContact O-CG2 3.39Å; H512-V516 PolarHBondContact O-N 2.84Å; V516-H521 PolarHBondContact O-ND1 2.8Å
517	G	97.3	Very high	97.9	Very high	8 Å²	8	44.4 Å²	44.4	8%	0.082	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	0.1	177.5	0	0	0	0	0	115	W513 I514 N515 T523	W513-G517 PolarHBondContact O-N 3.05Å; I514-G517 PolarHBondContact O-N 3.07Å; N515-G517 PolarHBondContact O-N 3.04Å; G517-T523 VanDerWaalsContact O-CG2 3.24Å; G517-T523 WeakPolarHBondContact O-CG2 3.27Å
518	K	96.7	Very high	97.9	Very high	105 Å²	105	44.9 Å²	44.9	46%	0.457	23%	0.234	S	C	.	.			trans	-67.2	148.3	-178.4	-73.8	173.2	176.4	166.5	0	111.5	N515 H521	N515-K518 PolarHBondContact O-N 3.34Å; N515-K518 PolarHBondContact OD1-NZ 3.34Å; K518-H521 VanDerWaalsContact O-CB 3.31Å; K518-H521 WeakPolarHBondContact O-CB 3.31Å; K518-H521 PolarHBondContact O-N 2.91Å
519	P	94.5	Very high	97.9	Very high	121 Å²	121	40.2 Å²	40.2	79%	0.786	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	146	172.8	-27.4	35.5	0	0	0	112.3	H521	P519-H521 VanDerWaalsContact C-N 3.34Å
520	P	95.4	Very high	97.9	Very high	114 Å²	114	40.2 Å²	40.2	74%	0.74	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.3	11.6	11.7	36.3	-37.6	0	0	0	114.8	K522	P520-K522 PolarHBondContact O-N 3.15Å
521	H	97.5	Very high	97.9	Very high	64 Å²	64	41 Å²	41	30%	0.296	22%	0.216	S	C	.	.	S	Bend	trans	-62.9	135.8	178.7	-62.4	159.6	0	0	0	112.3	F332 V516 K518 P519 T523	F332-H521 HydrophobicContact CD1-CB 3.6Å; F332-H521 AromaticContact CD1-CG 3.78Å; F332-H521 HydrophobicContact CD2-CB 4.22Å; F332-H521 AromaticContact CD2-CG 3.87Å; F332-H521 AromaticContact CD2-ND1 3.54Å; F332-H521 HydrophobicContact CE1-CB 3.69Å; F332-H521 HydrophobicContact CE2-CB 4.32Å; F332-H521 HydrophobicContact CG-CB 3.85Å; F332-H521 AromaticContact CG-CD2 3.84Å; F332-H521 AromaticContact CG-CE1 3.99Å; F332-H521 AromaticContact CG-CG 3.52Å; F332-H521 AromaticContact CG-ND1 3.63Å; F332-H521 HydrophobicContact CZ-CB 4.07Å; V516-H521 PolarHBondContact O-ND1 2.8Å; K518-H521 VanDerWaalsContact O-CB 3.31Å; K518-H521 WeakPolarHBondContact O-CB 3.31Å; K518-H521 PolarHBondContact O-N 2.91Å; P519-H521 VanDerWaalsContact C-N 3.34Å; H521-T523 PolarHBondContact O-N 3.32Å
522	K	96.8	Very high	97.8	Very high	124 Å²	124	39.7 Å²	39.7	54%	0.539	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-92.4	87.1	178.4	-61.6	170	-175.2	151.2	0	108	D335 G336 P520	D335-K522 WeakPolarHBondContact O-CE 3.46Å; D335-K522 PolarHBondContact O-NZ 2.91Å; G336-K522 WeakPolarHBondContact O-CB 3.27Å; G336-K522 PolarHBondContact O-N 3.39Å; P520-K522 PolarHBondContact O-N 3.15Å
523	T	98.1	Very high	97.7	Very high	51 Å²	51	39.4 Å²	39.4	31%	0.313	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-64	133	-179.5	53	0	0	0	0	111.2	F332 W466 G517 H521	F332-T523 HydrophobicContact CZ-CG2 4.29Å; W466-T523 HydrophobicContact CB-CG2 4.21Å; W466-T523 HydrophobicContact CD2-CG2 3.49Å; W466-T523 VanDerWaalsContact CD2-CG2 3.49Å; W466-T523 VanDerWaalsContact CE3-CB 3.46Å; W466-T523 HydrophobicContact CE3-CG2 3.85Å; W466-T523 HydrophobicContact CG-CG2 3.67Å; W466-T523 HydrophobicContact CZ2-CG2 4.32Å; W466-T523 HydrophobicContact CZ3-CG2 4.37Å; G517-T523 VanDerWaalsContact O-CG2 3.24Å; G517-T523 WeakPolarHBondContact O-CG2 3.27Å; H521-T523 PolarHBondContact O-N 3.32Å
524	P	98.3	Very high	97.6	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.052	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-65.2	154.3	173.5	27.5	-33.4	0	0	0	110.7	L338 I444 D445 I447 W466	L338-P524 HydrophobicContact CD2-CG 3.9Å; I444-P524 HydrophobicContact CG2-CB 4.26Å; I444-P524 HydrophobicContact CG2-CG 4.23Å; D445-P524 WeakPolarHBondContact O-CB 3.43Å; I447-P524 HydrophobicContact CD1-CG 3.63Å; I447-P524 HydrophobicContact CG1-CB 4.43Å; I447-P524 HydrophobicContact CG1-CG 3.75Å; W466-P524 HydrophobicContact CH2-CG 4.37Å; W466-P524 HydrophobicContact CZ3-CG 3.83Å
525	K	98.6	Very high	97.5	Very high	57 Å²	57	41.9 Å²	41.9	25%	0.248	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	139.6	171.7	-68.7	-165.4	171.7	-164.6	0	109.6	D445 A446 I447 E462 F527 R558 L559 N561	D445-K525 PolarHBondContact O-N 2.68Å; A446-K525 WeakPolarHBondContact CA-O 3.32Å; I447-K525 PolarHBondContact N-O 3.48Å; E462-K525 WeakPolarHBondContact OE1-CD 3.39Å; E462-K525 IonicContact OE1-NZ 2.89Å; E462-K525 PolarHBondContact OE1-NZ 3.07Å; K525-F527 HydrophobicContact CB-CE2 3.67Å; K525-F527 HydrophobicContact CB-CZ 4.06Å; K525-F527 HydrophobicContact CD-CZ 4.45Å; K525-R558 PolarHBondContact NZ-O 3.37Å; K525-L559 HydrophobicContact CB-CD2 3.78Å; K525-L559 HydrophobicContact CD-CD2 3.9Å; K525-L559 HydrophobicContact CG-CD2 3.96Å; K525-N561 PolarHBondContact NZ-OD1 3.41Å
526	I	98.9	Very high	97.2	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.6	178.7	-65.8	168.8	0	0	0	109.7	I447 F449 T463 W466	I447-I526 HydrophobicContact CB-CG1 4.14Å; I447-I526 CarbonylContact O-C 3.59Å; I447-I526 WeakPolarHBondContact O-CA 3.37Å; F449-I526 HydrophobicContact CD2-CG2 3.74Å; F449-I526 HydrophobicContact CE2-CG2 3.89Å; T463-I526 WeakPolarHBondContact CB-O 3.41Å; T463-I526 HydrophobicContact CG2-CB 4.45Å; T463-I526 HydrophobicContact CG2-CG2 3.98Å; T463-I526 PolarHBondContact N-O 3.1Å; T463-I526 WeakPolarHBondContact OG1-CB 3.43Å; T463-I526 PolarHBondContact OG1-O 3.25Å; W466-I526 HydrophobicContact CD2-CD1 4.06Å; W466-I526 HydrophobicContact CE3-CD1 3.35Å; W466-I526 HydrophobicContact CE3-CG1 3.92Å; W466-I526 HydrophobicContact CH2-CD1 4.33Å; W466-I526 HydrophobicContact CZ3-CD1 3.51Å; W466-I526 HydrophobicContact CZ3-CG1 3.88Å
527	F	98.9	Very high	97	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	159.8	175.7	-58.1	-95.2	0	0	0	110.2	A446 I447 I448 F449 F461 E462 K525 W554 I555 R558 L559	A446-F527 HydrophobicContact CB-CD2 4.16Å; A446-F527 HydrophobicContact CB-CE2 3.96Å; I447-F527 PolarHBondContact O-N 3.41Å; I448-F527 CarbonylContact C-O 3.55Å; I448-F527 WeakPolarHBondContact CA-O 3.47Å; I448-F527 HydrophobicContact CG1-CB 4.32Å; F449-F527 PolarHBondContact N-O 2.98Å; F461-F527 CarbonylContact O-C 3.54Å; F461-F527 VanDerWaalsContact O-CA 3.3Å; F461-F527 WeakPolarHBondContact O-CA 3.33Å; E462-F527 HydrophobicContact CB-CD1 3.67Å; E462-F527 HydrophobicContact CB-CE1 3.55Å; E462-F527 HydrophobicContact CB-CZ 4.49Å; E462-F527 HydrophobicContact CG-CD1 4.06Å; E462-F527 HydrophobicContact CG-CE1 3.64Å; E462-F527 HydrophobicContact CG-CZ 4.1Å; K525-F527 HydrophobicContact CB-CE2 3.67Å; K525-F527 HydrophobicContact CB-CZ 4.06Å; K525-F527 HydrophobicContact CD-CZ 4.45Å; F527-W554 AromaticContact CD1-CZ3 3.84Å; F527-W554 HydrophobicContact CD1-CZ3 3.84Å; F527-W554 HydrophobicContact CE1-CE3 4.46Å; F527-W554 HydrophobicContact CE1-CH2 4.46Å; F527-W554 AromaticContact CE1-CZ3 3.78Å; F527-W554 HydrophobicContact CE1-CZ3 3.78Å; F527-I555 HydrophobicContact CB-CD1 4.23Å; F527-I555 HydrophobicContact CD1-CD1 4.34Å; F527-I555 HydrophobicContact CD1-CG1 3.77Å; F527-I555 HydrophobicContact CD2-CD1 4.41Å; F527-I555 HydrophobicContact CD2-CG1 4.3Å; F527-I555 HydrophobicContact CD2-CG2 3.93Å; F527-I555 HydrophobicContact CE1-CB 4.33Å; F527-I555 HydrophobicContact CE1-CG1 3.93Å; F527-I555 HydrophobicContact CE1-CG2 4.29Å; F527-I555 HydrophobicContact CE2-CB 4.47Å; F527-I555 HydrophobicContact CE2-CG1 4.47Å; F527-I555 HydrophobicContact CE2-CG2 3.58Å; F527-I555 HydrophobicContact CG-CD1 4.07Å; F527-I555 HydrophobicContact CG-CG1 3.95Å; F527-I555 HydrophobicContact CG-CG2 4.44Å; F527-I555 HydrophobicContact CZ-CB 4.27Å; F527-I555 HydrophobicContact CZ-CG1 4.29Å; F527-I555 HydrophobicContact CZ-CG2 3.77Å; F527-R558 HydrophobicContact CE1-CB 4.19Å; F527-R558 HydrophobicContact CZ-CB 4.18Å; F527-L559 HydrophobicContact CE2-CD2 4.14Å; F527-L559 HydrophobicContact CZ-CD2 4.32Å
528	H	98.8	Very high	96.8	Very high	13 Å²	13	60.8 Å²	60.8	6%	0.06	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.5	168.1	-177.4	-67.9	0	0	0	109.7	F449 V460 F461 T472	F449-H528 CarbonylContact O-C 3.57Å; F449-H528 VanDerWaalsContact O-CA 3.23Å; F449-H528 WeakPolarHBondContact O-CA 3.35Å; V460-H528 CarbonylContact C-O 3.21Å; V460-H528 VanDerWaalsContact CA-O 3.26Å; V460-H528 WeakPolarHBondContact CA-O 3.24Å; F461-H528 HydrophobicContact CD1-CB 4.01Å; F461-H528 HydrophobicContact CD2-CB 4.3Å; F461-H528 HydrophobicContact CE1-CB 3.47Å; F461-H528 VanDerWaalsContact CE1-CB 3.47Å; F461-H528 AromaticContact CE1-CG 3.61Å; F461-H528 AromaticContact CE1-ND1 3.57Å; F461-H528 HydrophobicContact CE2-CB 3.79Å; F461-H528 HydrophobicContact CG-CB 4.42Å; F461-H528 HydrophobicContact CZ-CB 3.36Å; F461-H528 AromaticContact CZ-CG 3.68Å; F461-H528 PolarHBondContact N-O 3.27Å; F461-H528 PolarHBondContact O-N 2.89Å; T472-H528 HydrophobicContact CG2-CB 3.81Å
529	V	98.8	Very high	96.7	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	154	-179.5	-62.2	0	0	0	0	112.1	F299 I448 F449 G450 L459 V460 W531 V551	F299-V529 HydrophobicContact CE1-CG2 3.61Å; F299-V529 HydrophobicContact CZ-CG2 3.79Å; I448-V529 HydrophobicContact CG2-CB 4.21Å; I448-V529 HydrophobicContact CG2-CG1 3.66Å; I448-V529 HydrophobicContact CG2-CG2 3.6Å; F449-V529 PolarHBondContact O-N 3.4Å; G450-V529 VanDerWaalsContact CA-O 3.25Å; G450-V529 WeakPolarHBondContact CA-O 3.17Å; L459-V529 CarbonylContact O-C 3.59Å; L459-V529 WeakPolarHBondContact O-CA 3.29Å; V460-V529 HydrophobicContact CB-CG1 4.2Å; V460-V529 HydrophobicContact CG2-CG1 3.92Å; V529-W531 HydrophobicContact CB-CD2 4.43Å; V529-W531 HydrophobicContact CB-CH2 3.75Å; V529-W531 HydrophobicContact CB-CZ2 3.64Å; V529-W531 HydrophobicContact CB-CZ3 4.18Å; V529-W531 HydrophobicContact CG1-CH2 3.65Å; V529-W531 HydrophobicContact CG1-CZ2 3.83Å; V529-W531 HydrophobicContact CG1-CZ3 4.35Å; V529-W531 HydrophobicContact CG2-CD2 4.37Å; V529-W531 HydrophobicContact CG2-CH2 4.1Å; V529-W531 HydrophobicContact CG2-CZ2 3.44Å; V529-W531 VanDerWaalsContact CG2-CZ2 3.44Å; V529-V551 HydrophobicContact CG1-CG1 4.17Å
530	N	98.6	Very high	96.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.298	C	S	.	.			trans	-139.7	99.7	170.6	179.6	21	0	0	0	110.7	G451 R453 V457 P458 L459 F532	G451-N530 PolarHBondContact O-OD1 3.08Å; R453-N530 PolarHBondContact N-OD1 2.9Å; R453-N530 PolarHBondContact O-ND2 2.67Å; R453-N530 PolarHBondContact O-OD1 3.25Å; V457-N530 HydrophobicContact CB-CB 4.34Å; V457-N530 HydrophobicContact CG1-CB 3.91Å; V457-N530 PolarHBondContact O-ND2 2.86Å; P458-N530 WeakPolarHBondContact O-CB 3.37Å; L459-N530 PolarHBondContact O-N 3.47Å; N530-F532 PolarHBondContact O-N 2.9Å; N530-F532 PolarHBondContact OD1-N 2.81Å
531	W	97.9	Very high	96.9	Very high	16 Å²	16	57.8 Å²	57.8	6%	0.061	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-10	176.3	-44.8	128.6	0	0	0	113.5	L459 V529 W542 N548 V551	L459-W531 HydrophobicContact CD1-CE3 3.57Å; L459-W531 HydrophobicContact CD1-CZ3 3.69Å; L459-W531 HydrophobicContact CG-CZ3 4.5Å; V529-W531 HydrophobicContact CB-CD2 4.43Å; V529-W531 HydrophobicContact CB-CH2 3.75Å; V529-W531 HydrophobicContact CB-CZ2 3.64Å; V529-W531 HydrophobicContact CB-CZ3 4.18Å; V529-W531 HydrophobicContact CG1-CH2 3.65Å; V529-W531 HydrophobicContact CG1-CZ2 3.83Å; V529-W531 HydrophobicContact CG1-CZ3 4.35Å; V529-W531 HydrophobicContact CG2-CD2 4.37Å; V529-W531 HydrophobicContact CG2-CH2 4.1Å; V529-W531 HydrophobicContact CG2-CZ2 3.44Å; V529-W531 VanDerWaalsContact CG2-CZ2 3.44Å; W531-W542 AromaticContact CE3-CD1 3.98Å; W531-N548 HydrophobicContact CH2-CB 4.09Å; W531-N548 HydrophobicContact CZ2-CB 4.34Å; W531-N548 HydrophobicContact CZ3-CB 4.21Å; W531-N548 WeakPolarHBondContact CZ3-OD1 3.28Å; W531-V551 HydrophobicContact CH2-CB 3.94Å; W531-V551 HydrophobicContact CH2-CG1 3.76Å; W531-V551 HydrophobicContact CH2-CG2 4.36Å; W531-V551 HydrophobicContact CZ3-CB 3.96Å; W531-V551 HydrophobicContact CZ3-CG1 4.02Å; W531-V551 HydrophobicContact CZ3-CG2 3.87Å
532	F	97	Very high	96.9	Very high	28 Å²	28	55 Å²	55	12%	0.123	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	9.9	-158.7	-57.4	-77.4	0	0	0	113.7	R452 R453 N530 Q534 F540	R452-F532 HydrophobicContact CB-CB 4.3Å; R452-F532 HydrophobicContact CB-CD2 4.16Å; R452-F532 HydrophobicContact CB-CG 4.2Å; R452-F532 HydrophobicContact CG-CB 4.26Å; R452-F532 HydrophobicContact CG-CD1 3.97Å; R452-F532 HydrophobicContact CG-CD2 3.56Å; R452-F532 HydrophobicContact CG-CE1 4.16Å; R452-F532 HydrophobicContact CG-CE2 3.75Å; R452-F532 HydrophobicContact CG-CG 3.65Å; R452-F532 HydrophobicContact CG-CZ 4.05Å; R452-F532 VanDerWaalsContact CZ-CE1 3.46Å; R452-F532 VanDerWaalsContact NH1-CE1 3.27Å; R453-F532 CarbonylContact O-C 3.57Å; N530-F532 PolarHBondContact O-N 2.9Å; N530-F532 PolarHBondContact OD1-N 2.81Å; F532-Q534 PolarHBondContact O-N 3.09Å; F532-F540 HydrophobicContact CB-CE1 4.14Å; F532-F540 HydrophobicContact CD1-CE1 4.08Å; F532-F540 HydrophobicContact CD1-CZ 4.43Å
533	R	97.5	Very high	96.8	Very high	12 Å²	12	51.8 Å²	51.8	5%	0.045	25%	0.246	C	C	.	.			trans	-59.7	134.5	173.8	-158.6	-179.8	178.2	151.3	6.8	110	R453 V457 F540 L541 E591 L592 S594	R453-R533 WeakPolarHBondContact O-CA 3.42Å; R453-R533 PolarHBondContact O-N 3.38Å; V457-R533 WeakPolarHBondContact O-CD 3.48Å; R533-F540 WeakPolarHBondContact O-CA 3.24Å; R533-L541 HydrophobicContact CB-CD1 4.27Å; R533-L541 HydrophobicContact CG-CD1 3.84Å; R533-L541 PolarHBondContact O-N 3.05Å; R533-E591 PolarHBondContact NE-O 3.29Å; R533-E591 PolarHBondContact NH1-O 3.33Å; R533-E591 VanDerWaalsContact NH1-O 3.08Å; R533-E591 PolarHBondContact NH2-O 3.3Å; R533-L592 PolarHBondContact NH1-O 3.48Å; R533-S594 PolarHBondContact NH1-O 3.03Å; R533-S594 PolarHBondContact NH2-O 3.37Å; R533-S594 PolarHBondContact NH2-OG 3.22Å
534	Q	96.7	Very high	96.7	Very high	46 Å²	46	49.7 Å²	49.7	22%	0.215	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-114.4	150.4	-179.1	-68	177.6	0.9	0	0	110.9	P454 F532 K539 F540	P454-Q534 HydrophobicContact CB-CG 4.46Å; P454-Q534 PolarHBondContact O-N 2.67Å; F532-Q534 PolarHBondContact O-N 3.09Å; Q534-K539 CarbonylContact C-O 3.5Å; Q534-K539 WeakPolarHBondContact CA-O 3.25Å; Q534-F540 HydrophobicContact CG-CD1 3.81Å; Q534-F540 HydrophobicContact CG-CE1 3.97Å
535	S	95.4	Very high	96.6	Very high	23 Å²	23	53.4 Å²	53.4	16%	0.161	25%	0.25	C	S	.	.			trans	-73.6	173.2	167.3	72.8	0	0	0	0	110.9	D537 K538 K539 E591	S535-D537 PolarHBondContact O-N 2.77Å; S535-D537 VanDerWaalsContact O-N 3.13Å; S535-D537 PolarHBondContact OG-N 3.34Å; S535-K538 WeakPolarHBondContact O-CA 3.19Å; S535-K538 PolarHBondContact O-N 2.86Å; S535-K539 PolarHBondContact N-O 2.91Å; S535-E591 WeakPolarHBondContact CA-OE1 3.31Å
536	K	92.5	Very high	96.5	Very high	199 Å²	199	51 Å²	51	87%	0.865	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-29.1	170.9	-64.2	-176.1	-179.7	-180	0	113.4	K538	K536-K538 PolarHBondContact O-N 3.13Å
537	D	93.4	Very high	96.4	Very high	127 Å²	127	51.8 Å²	51.8	68%	0.679	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	10.2	176.5	-58.1	-37.7	0	0	0	113.6	S535 K539	S535-D537 PolarHBondContact O-N 2.77Å; S535-D537 VanDerWaalsContact O-N 3.13Å; S535-D537 PolarHBondContact OG-N 3.34Å; D537-K539 PolarHBondContact O-N 2.8Å
538	K	92.2	Very high	96.4	Very high	165 Å²	165	52.3 Å²	52.3	72%	0.717	25%	0.249	S	C	*	.	S	Bend	trans	61.3	23.8	-179	-54.1	-178.2	179.9	178.2	0	114.4	S535 K536	S535-K538 WeakPolarHBondContact O-CA 3.19Å; S535-K538 PolarHBondContact O-N 2.86Å; K536-K538 PolarHBondContact O-N 3.13Å
539	K	94.6	Very high	96.3	Very high	145 Å²	145	51.7 Å²	51.7	63%	0.63	25%	0.246	S	C	*	.			trans	-91.3	139.8	171.5	-65.4	179.6	-178.1	170.5	0	109.3	Q534 S535 D537 L541	Q534-K539 CarbonylContact C-O 3.5Å; Q534-K539 WeakPolarHBondContact CA-O 3.25Å; S535-K539 PolarHBondContact N-O 2.91Å; D537-K539 PolarHBondContact O-N 2.8Å; K539-L541 PolarHBondContact O-N 2.92Å
540	F	96.1	Very high	96.3	Very high	112 Å²	112	52 Å²	52	49%	0.491	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-61.3	130.3	173.3	-66.9	-63.6	0	0	0	110.4	F532 R533 Q534 W542	F532-F540 HydrophobicContact CB-CE1 4.14Å; F532-F540 HydrophobicContact CD1-CE1 4.08Å; F532-F540 HydrophobicContact CD1-CZ 4.43Å; R533-F540 WeakPolarHBondContact O-CA 3.24Å; Q534-F540 HydrophobicContact CG-CD1 3.81Å; Q534-F540 HydrophobicContact CG-CE1 3.97Å; F540-W542 PolarHBondContact O-N 2.95Å
541	L	97.4	Very high	96.3	Very high	19 Å²	19	52 Å²	52	10%	0.099	25%	0.247	C	C	.	.	S	Bend	trans	-75.2	-18	178.1	-68.4	173	0	0	0	112.5	R533 K539 E591 L592	R533-L541 HydrophobicContact CB-CD1 4.27Å; R533-L541 HydrophobicContact CG-CD1 3.84Å; R533-L541 PolarHBondContact O-N 3.05Å; K539-L541 PolarHBondContact O-N 2.92Å; L541-E591 HydrophobicContact CD1-CB 4.43Å; L541-E591 HydrophobicContact CD1-CG 3.75Å; L541-E591 HydrophobicContact CD2-CG 4.37Å; L541-L592 HydrophobicContact CB-CD1 3.8Å
542	W	98	Very high	96.4	Very high	6 Å²	6	51.3 Å²	51.3	2%	0.023	25%	0.245	C	C	.	.	S	Bend	trans	-122.8	135.7	179.9	-172.9	-113	0	0	0	110.4	L459 W531 F540 G544 D547 N548 R550 V551 M581 L584 L592	L459-W542 HydrophobicContact CD1-CB 4.14Å; L459-W542 HydrophobicContact CD1-CD2 3.97Å; L459-W542 HydrophobicContact CD1-CG 3.65Å; L459-W542 HydrophobicContact CD2-CD2 3.7Å; L459-W542 HydrophobicContact CD2-CE3 3.75Å; L459-W542 HydrophobicContact CD2-CG 4.26Å; L459-W542 HydrophobicContact CD2-CH2 4.28Å; L459-W542 HydrophobicContact CD2-CZ2 4.23Å; L459-W542 HydrophobicContact CD2-CZ3 4.06Å; W531-W542 AromaticContact CE3-CD1 3.98Å; F540-W542 PolarHBondContact O-N 2.95Å; W542-G544 VanDerWaalsContact C-N 3.31Å; W542-G544 VanDerWaalsContact CD1-N 3.32Å; W542-G544 PolarHBondContact O-N 2.88Å; W542-D547 HydrophobicContact CZ2-CB 4.27Å; W542-D547 WeakPolarHBondContact CZ2-O 3.36Å; W542-N548 PolarHBondContact NE1-OD1 2.67Å; W542-R550 HydrophobicContact CH2-CB 4.26Å; W542-R550 HydrophobicContact CZ2-CB 4.27Å; W542-V551 HydrophobicContact CZ2-CG2 4.23Å; W542-M581 HydrophobicContact CH2-CE 4.44Å; W542-M581 HydrophobicContact CH2-SD 4.17Å; W542-M581 HydrophobicContact CZ3-CE 3.94Å; W542-M581 HydrophobicContact CZ3-SD 3.78Å; W542-L584 HydrophobicContact CH2-CD1 3.67Å; W542-L584 HydrophobicContact CZ3-CD1 3.66Å; W542-L592 HydrophobicContact CB-CD1 4.32Å; W542-L592 HydrophobicContact CE3-CD2 4.06Å
543	P	95.9	Very high	96.4	Very high	56 Å²	56	51.3 Å²	51.3	36%	0.364	25%	0.246	S	C	.	.			trans	-66.8	-28.1	-179	24.2	-35	0	0	0	114.2	F545 D547 L584	P543-F545 WeakPolarHBondContact O-CD2 3.19Å; P543-D547 HydrophobicContact CG-CB 3.86Å; P543-L584 HydrophobicContact CG-CD2 4.07Å
544	G	95.8	Very high	96.5	Very high	7 Å²	7	50.8 Å²	50.8	7%	0.072	24%	0.244	C	C	.	.			trans	75.1	-159.8	177.7	0	0	0	0	0	114.5	W542 G546 D547 N548	W542-G544 VanDerWaalsContact C-N 3.31Å; W542-G544 VanDerWaalsContact CD1-N 3.32Å; W542-G544 PolarHBondContact O-N 2.88Å; G544-G546 PolarHBondContact O-N 3.36Å; G544-D547 WeakPolarHBondContact O-CB 3.22Å; G544-D547 PolarHBondContact O-N 3.16Å; G544-N548 VanDerWaalsContact CA-OD1 3.31Å; G544-N548 WeakPolarHBondContact CA-OD1 3.49Å
545	F	95.2	Very high	96.6	Very high	86 Å²	86	48.6 Å²	48.6	38%	0.377	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	51.9	-125.7	173.6	-50.6	-71.5	0	0	0	113.2	T358 P543 D547 N548	T358-F545 VanDerWaalsContact CB-CE1 3.47Å; T358-F545 HydrophobicContact CG2-CD1 4.2Å; T358-F545 HydrophobicContact CG2-CE1 3.6Å; T358-F545 HydrophobicContact CG2-CE2 4.17Å; T358-F545 HydrophobicContact CG2-CZ 3.58Å; T358-F545 VanDerWaalsContact O-CD1 3.3Å; T358-F545 WeakPolarHBondContact O-CD1 3.26Å; P543-F545 WeakPolarHBondContact O-CD2 3.19Å; F545-D547 PolarHBondContact O-N 2.85Å; F545-N548 VanDerWaalsContact O-CB 3.28Å; F545-N548 WeakPolarHBondContact O-CB 3.4Å; F545-N548 PolarHBondContact O-N 2.77Å; F545-N548 VanDerWaalsContact O-N 3.07Å
546	G	96.6	Very high	96.7	Very high	8 Å²	8	48.1 Å²	48.1	8%	0.082	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-62	-21	-179.8	0	0	0	0	0	114.5	L312 N314 G544 N548 V549	L312-G546 WeakPolarHBondContact O-CA 3.45Å; N314-G546 PolarHBondContact N-O 2.84Å; N314-G546 VanDerWaalsContact N-O 3.08Å; G544-G546 PolarHBondContact O-N 3.36Å; G546-N548 VanDerWaalsContact C-N 3.3Å; G546-V549 WeakPolarHBondContact O-CG1 3.31Å
547	D	97.3	Very high	97	Very high	19 Å²	19	41.4 Å²	41.4	10%	0.102	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-78.3	-14.5	175.8	-71.8	-60.4	0	0	0	113	N314 W542 P543 G544 F545 V549 R550 L584	N314-D547 VanDerWaalsContact ND2-CG 3.27Å; N314-D547 PolarHBondContact ND2-OD1 3.4Å; N314-D547 PolarHBondContact ND2-OD2 3.03Å; W542-D547 HydrophobicContact CZ2-CB 4.27Å; W542-D547 WeakPolarHBondContact CZ2-O 3.36Å; P543-D547 HydrophobicContact CG-CB 3.86Å; G544-D547 WeakPolarHBondContact O-CB 3.22Å; G544-D547 PolarHBondContact O-N 3.16Å; F545-D547 PolarHBondContact O-N 2.85Å; D547-V549 PolarHBondContact O-N 2.92Å; D547-V549 VanDerWaalsContact O-N 3.08Å; D547-R550 VanDerWaalsContact O-CB 3.28Å; D547-R550 WeakPolarHBondContact O-CB 3.46Å; D547-R550 WeakPolarHBondContact O-CD 3.43Å; D547-R550 WeakPolarHBondContact O-CG 3.37Å; D547-R550 PolarHBondContact O-N 2.88Å; D547-R550 IonicContact OD1-CZ 3.67Å; D547-R550 IonicContact OD1-NE 2.78Å; D547-R550 PolarHBondContact OD1-NE 3.28Å; D547-R550 IonicContact OD1-NH2 3.37Å; D547-R550 PolarHBondContact OD1-NH2 3.27Å; D547-L584 HydrophobicContact CB-CD2 4.36Å; D547-L584 WeakPolarHBondContact OD1-CD2 2.99Å
548	N	98.3	Very high	97.2	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.053	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-61.3	-18.3	173.2	-70.3	-13.1	0	0	0	112.4	M311 W531 W542 G544 F545 G546 R550 V551 V552	M311-N548 HydrophobicContact CE-CB 3.54Å; M311-N548 HydrophobicContact SD-CB 4.34Å; W531-N548 HydrophobicContact CH2-CB 4.09Å; W531-N548 HydrophobicContact CZ2-CB 4.34Å; W531-N548 HydrophobicContact CZ3-CB 4.21Å; W531-N548 WeakPolarHBondContact CZ3-OD1 3.28Å; W542-N548 PolarHBondContact NE1-OD1 2.67Å; G544-N548 VanDerWaalsContact CA-OD1 3.31Å; G544-N548 WeakPolarHBondContact CA-OD1 3.49Å; F545-N548 VanDerWaalsContact O-CB 3.28Å; F545-N548 WeakPolarHBondContact O-CB 3.4Å; F545-N548 PolarHBondContact O-N 2.77Å; F545-N548 VanDerWaalsContact O-N 3.07Å; G546-N548 VanDerWaalsContact C-N 3.3Å; N548-R550 PolarHBondContact O-N 3.47Å; N548-V551 PolarHBondContact O-N 2.67Å; N548-V552 PolarHBondContact O-N 3.14Å; N548-V552 VanDerWaalsContact O-N 3.08Å
549	V	98.2	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.8	-28.2	170.9	75.5	0	0	0	0	112.4	M311 P313 L315 W318 G546 D547 V551 V552 D553	M311-V549 HydrophobicContact SD-CB 3.89Å; P313-V549 HydrophobicContact CB-CB 3.81Å; P313-V549 HydrophobicContact CB-CG1 3.88Å; P313-V549 HydrophobicContact CB-CG2 3.7Å; L315-V549 HydrophobicContact CB-CG1 3.83Å; L315-V549 HydrophobicContact CD1-CG1 4.09Å; L315-V549 HydrophobicContact CG-CG1 3.81Å; W318-V549 HydrophobicContact CB-CG2 3.88Å; W318-V549 HydrophobicContact CD2-CG2 3.48Å; W318-V549 VanDerWaalsContact CD2-CG2 3.48Å; W318-V549 HydrophobicContact CE3-CG2 3.65Å; W318-V549 HydrophobicContact CG-CG2 3.59Å; W318-V549 HydrophobicContact CZ3-CG2 4.47Å; G546-V549 WeakPolarHBondContact O-CG1 3.31Å; D547-V549 PolarHBondContact O-N 2.92Å; D547-V549 VanDerWaalsContact O-N 3.08Å; V549-V551 VanDerWaalsContact C-N 3.32Å; V549-V551 PolarHBondContact O-N 3.41Å; V549-V552 CarbonylContact O-C 3.51Å; V549-V552 PolarHBondContact O-N 2.87Å; V549-D553 PolarHBondContact O-N 3.32Å
550	R	98.5	Very high	97.6	Very high	9 Å²	9	26.8 Å²	26.8	3%	0.034	13%	0.133	C	C	.	.	H	α-helix	trans	-66.5	-33.8	176.5	-61.2	161.9	-175.8	-80.6	1.4	112.3	L315 W542 D547 N548 W554 I579 N580 D582	L315-R550 HydrophobicContact CD1-CG 3.73Å; L315-R550 HydrophobicContact CD2-CG 4.38Å; L315-R550 HydrophobicContact CG-CG 3.93Å; W542-R550 HydrophobicContact CH2-CB 4.26Å; W542-R550 HydrophobicContact CZ2-CB 4.27Å; D547-R550 VanDerWaalsContact O-CB 3.28Å; D547-R550 WeakPolarHBondContact O-CB 3.46Å; D547-R550 WeakPolarHBondContact O-CD 3.43Å; D547-R550 WeakPolarHBondContact O-CG 3.37Å; D547-R550 PolarHBondContact O-N 2.88Å; D547-R550 IonicContact OD1-CZ 3.67Å; D547-R550 IonicContact OD1-NE 2.78Å; D547-R550 PolarHBondContact OD1-NE 3.28Å; D547-R550 IonicContact OD1-NH2 3.37Å; D547-R550 PolarHBondContact OD1-NH2 3.27Å; N548-R550 PolarHBondContact O-N 3.47Å; R550-W554 PolarHBondContact O-N 3.08Å; R550-I579 HydrophobicContact CB-CG2 3.97Å; R550-N580 VanDerWaalsContact CD-O 3.28Å; R550-N580 WeakPolarHBondContact CD-O 3.48Å; R550-N580 WeakPolarHBondContact CG-O 3.33Å; R550-N580 PolarHBondContact NH1-O 2.84Å; R550-N580 PolarHBondContact NH1-OD1 2.99Å; R550-D582 VanDerWaalsContact CZ-O 3.24Å; R550-D582 PolarHBondContact NH1-O 3.13Å; R550-D582 PolarHBondContact NH2-O 2.96Å
551	V	98.7	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-76.9	-37	173.8	172.9	0	0	0	0	110.5	L459 V460 V529 W531 W542 N548 V549 D553 W554 I555 I579	L459-V551 HydrophobicContact CD1-CG2 4.27Å; L459-V551 HydrophobicContact CD2-CG2 3.57Å; L459-V551 HydrophobicContact CG-CG2 3.84Å; V460-V551 HydrophobicContact CB-CG1 3.66Å; V460-V551 HydrophobicContact CG1-CG1 3.9Å; V460-V551 HydrophobicContact CG2-CG1 3.77Å; V529-V551 HydrophobicContact CG1-CG1 4.17Å; W531-V551 HydrophobicContact CH2-CB 3.94Å; W531-V551 HydrophobicContact CH2-CG1 3.76Å; W531-V551 HydrophobicContact CH2-CG2 4.36Å; W531-V551 HydrophobicContact CZ3-CB 3.96Å; W531-V551 HydrophobicContact CZ3-CG1 4.02Å; W531-V551 HydrophobicContact CZ3-CG2 3.87Å; W542-V551 HydrophobicContact CZ2-CG2 4.23Å; N548-V551 PolarHBondContact O-N 2.67Å; V549-V551 VanDerWaalsContact C-N 3.32Å; V549-V551 PolarHBondContact O-N 3.41Å; V551-D553 VanDerWaalsContact C-N 3.35Å; V551-W554 PolarHBondContact O-N 2.77Å; V551-I555 HydrophobicContact CG1-CD1 4.28Å; V551-I555 WeakPolarHBondContact O-CG1 3.3Å; V551-I555 PolarHBondContact O-N 3.42Å; V551-I579 HydrophobicContact CG2-CD1 4.49Å
552	V	98.5	Very high	97.6	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-64.6	-38.5	174.2	177	0	0	0	0	111.6	F285 I295 M308 N548 V549 W554 I555 L556	F285-V552 HydrophobicContact CB-CG1 3.93Å; F285-V552 HydrophobicContact CD1-CB 4.25Å; F285-V552 HydrophobicContact CD1-CG1 3.51Å; F285-V552 HydrophobicContact CD1-CG2 4.3Å; F285-V552 HydrophobicContact CD2-CG1 4.09Å; F285-V552 HydrophobicContact CE1-CB 4.39Å; F285-V552 HydrophobicContact CE1-CG1 4.01Å; F285-V552 HydrophobicContact CE1-CG2 3.96Å; F285-V552 HydrophobicContact CG-CG1 3.57Å; F285-V552 HydrophobicContact CZ-CG1 4.49Å; F285-V552 HydrophobicContact CZ-CG2 4.24Å; I295-V552 HydrophobicContact CD1-CG1 3.86Å; M308-V552 HydrophobicContact CE-CG2 3.93Å; N548-V552 PolarHBondContact O-N 3.14Å; N548-V552 VanDerWaalsContact O-N 3.08Å; V549-V552 CarbonylContact O-C 3.51Å; V549-V552 PolarHBondContact O-N 2.87Å; V552-W554 VanDerWaalsContact C-N 3.35Å; V552-W554 PolarHBondContact O-N 3.34Å; V552-I555 WeakPolarHBondContact O-CB 3.44Å; V552-I555 PolarHBondContact O-N 3.34Å; V552-L556 HydrophobicContact CG1-CD1 3.55Å; V552-L556 HydrophobicContact CG1-CG 4.14Å; V552-L556 WeakPolarHBondContact O-CB 3.48Å; V552-L556 VanDerWaalsContact O-CD1 3.31Å; V552-L556 WeakPolarHBondContact O-CD1 3.49Å; V552-L556 WeakPolarHBondContact O-CG 3.37Å; V552-L556 PolarHBondContact O-N 3.19Å
553	D	98.3	Very high	97.6	Very high	28 Å²	28	35.3 Å²	35.3	15%	0.15	18%	0.182	C	C	.	.	H	α-helix	trans	-52.4	-52.2	170.2	172.4	68.8	0	0	0	111.5	W318 V549 V551 I555 L556 R557	W318-D553 HydrophobicContact CH2-CB 4.01Å; W318-D553 HydrophobicContact CZ2-CB 3.53Å; W318-D553 VanDerWaalsContact CZ2-OD1 3.31Å; W318-D553 WeakPolarHBondContact CZ2-OD1 3.19Å; V549-D553 PolarHBondContact O-N 3.32Å; V551-D553 VanDerWaalsContact C-N 3.35Å; D553-I555 VanDerWaalsContact C-N 3.33Å; D553-I555 PolarHBondContact O-N 3.45Å; D553-L556 PolarHBondContact O-N 3.23Å; D553-R557 WeakPolarHBondContact O-CG 3.46Å; D553-R557 PolarHBondContact O-N 2.97Å; D553-R557 WeakPolarHBondContact OD1-CD 3.2Å; D553-R557 WeakPolarHBondContact OD2-CD 3.31Å; D553-R557 IonicContact OD2-NH1 3.92Å; D553-R557 PolarHBondContact OD2-NH1 2.98Å; D553-R557 VanDerWaalsContact OD2-NH1 3.09Å
554	W	98.6	Very high	97.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-43.7	178	-178.4	88.4	0	0	0	111.8	V460 E462 F527 R550 V551 V552 L556 R557 R558 I564 A565 P574 I579	V460-W554 HydrophobicContact CG1-CE3 4.12Å; V460-W554 HydrophobicContact CG1-CZ3 4.29Å; V460-W554 HydrophobicContact CG2-CE3 4.06Å; V460-W554 HydrophobicContact CG2-CZ3 3.84Å; E462-W554 HydrophobicContact CB-CH2 4.08Å; E462-W554 HydrophobicContact CB-CZ3 4.46Å; F527-W554 AromaticContact CD1-CZ3 3.84Å; F527-W554 HydrophobicContact CD1-CZ3 3.84Å; F527-W554 HydrophobicContact CE1-CE3 4.46Å; F527-W554 HydrophobicContact CE1-CH2 4.46Å; F527-W554 AromaticContact CE1-CZ3 3.78Å; F527-W554 HydrophobicContact CE1-CZ3 3.78Å; R550-W554 PolarHBondContact O-N 3.08Å; V551-W554 PolarHBondContact O-N 2.77Å; V552-W554 VanDerWaalsContact C-N 3.35Å; V552-W554 PolarHBondContact O-N 3.34Å; W554-L556 PolarHBondContact O-N 3.16Å; W554-R557 PolarHBondContact O-N 3.47Å; W554-R558 HydrophobicContact CD2-CG 4Å; W554-R558 HydrophobicContact CE3-CG 4.16Å; W554-R558 HydrophobicContact CH2-CG 3.94Å; W554-R558 HydrophobicContact CZ2-CG 3.76Å; W554-R558 HydrophobicContact CZ3-CG 4.14Å; W554-R558 VanDerWaalsContact O-CG 3.31Å; W554-R558 WeakPolarHBondContact O-CG 3.46Å; W554-R558 PolarHBondContact O-N 2.98Å; W554-I564 VanDerWaalsContact CD1-CD1 3.49Å; W554-I564 HydrophobicContact CG-CD1 4.16Å; W554-I564 PolarHBondContact NE1-O 3.16Å; W554-A565 HydrophobicContact CZ2-CB 3.88Å; W554-P574 HydrophobicContact CD2-CB 4.43Å; W554-P574 HydrophobicContact CD2-CG 3.98Å; W554-P574 HydrophobicContact CE3-CG 4.45Å; W554-P574 HydrophobicContact CG-CG 4.4Å; W554-P574 HydrophobicContact CH2-CG 4.35Å; W554-P574 HydrophobicContact CZ2-CB 4.21Å; W554-P574 HydrophobicContact CZ2-CG 3.85Å; W554-I579 HydrophobicContact CB-CG1 3.87Å; W554-I579 HydrophobicContact CG-CG1 4.04Å
555	I	98.7	Very high	97.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.1	-49.7	175.2	-73.2	173.6	0	0	0	111	I295 A446 I448 V460 F527 V551 V552 D553 R557 R558 L559	I295-I555 HydrophobicContact CD1-CG2 4.25Å; A446-I555 HydrophobicContact CB-CG2 4.18Å; I448-I555 HydrophobicContact CD1-CD1 3.52Å; I448-I555 HydrophobicContact CG1-CD1 4.14Å; V460-I555 HydrophobicContact CG2-CD1 4.44Å; V460-I555 HydrophobicContact CG2-CG1 4.46Å; F527-I555 HydrophobicContact CB-CD1 4.23Å; F527-I555 HydrophobicContact CD1-CD1 4.34Å; F527-I555 HydrophobicContact CD1-CG1 3.77Å; F527-I555 HydrophobicContact CD2-CD1 4.41Å; F527-I555 HydrophobicContact CD2-CG1 4.3Å; F527-I555 HydrophobicContact CD2-CG2 3.93Å; F527-I555 HydrophobicContact CE1-CB 4.33Å; F527-I555 HydrophobicContact CE1-CG1 3.93Å; F527-I555 HydrophobicContact CE1-CG2 4.29Å; F527-I555 HydrophobicContact CE2-CB 4.47Å; F527-I555 HydrophobicContact CE2-CG1 4.47Å; F527-I555 HydrophobicContact CE2-CG2 3.58Å; F527-I555 HydrophobicContact CG-CD1 4.07Å; F527-I555 HydrophobicContact CG-CG1 3.95Å; F527-I555 HydrophobicContact CG-CG2 4.44Å; F527-I555 HydrophobicContact CZ-CB 4.27Å; F527-I555 HydrophobicContact CZ-CG1 4.29Å; F527-I555 HydrophobicContact CZ-CG2 3.77Å; V551-I555 HydrophobicContact CG1-CD1 4.28Å; V551-I555 WeakPolarHBondContact O-CG1 3.3Å; V551-I555 PolarHBondContact O-N 3.42Å; V552-I555 WeakPolarHBondContact O-CB 3.44Å; V552-I555 PolarHBondContact O-N 3.34Å; D553-I555 VanDerWaalsContact C-N 3.33Å; D553-I555 PolarHBondContact O-N 3.45Å; I555-R557 VanDerWaalsContact C-N 3.34Å; I555-R557 PolarHBondContact O-N 3.11Å; I555-R558 WeakPolarHBondContact O-CA 3.43Å; I555-R558 WeakPolarHBondContact O-CB 3.25Å; I555-R558 PolarHBondContact O-N 3.46Å; I555-R558 VanDerWaalsContact O-N 3.11Å; I555-L559 WeakPolarHBondContact O-CG 3.31Å; I555-L559 PolarHBondContact O-N 3.44Å
556	L	98.3	Very high	98	Very high	13 Å²	13	32.5 Å²	32.5	7%	0.068	17%	0.17	C	C	.	.	H	α-helix	trans	-63	-41	-177.2	-69.4	158.7	0	0	0	111.8	F285 R293 W318 V552 D553 W554 R558 L559 D560	F285-L556 HydrophobicContact CB-CD1 4.1Å; R293-L556 HydrophobicContact CB-CD2 3.29Å; R293-L556 HydrophobicContact CG-CD2 3.39Å; W318-L556 HydrophobicContact CH2-CD1 3.27Å; W318-L556 HydrophobicContact CZ3-CD1 3.24Å; V552-L556 HydrophobicContact CG1-CD1 3.55Å; V552-L556 HydrophobicContact CG1-CG 4.14Å; V552-L556 WeakPolarHBondContact O-CB 3.48Å; V552-L556 VanDerWaalsContact O-CD1 3.31Å; V552-L556 WeakPolarHBondContact O-CD1 3.49Å; V552-L556 WeakPolarHBondContact O-CG 3.37Å; V552-L556 PolarHBondContact O-N 3.19Å; D553-L556 PolarHBondContact O-N 3.23Å; W554-L556 PolarHBondContact O-N 3.16Å; L556-R558 VanDerWaalsContact C-N 3.32Å; L556-R558 PolarHBondContact O-N 3.2Å; L556-L559 HydrophobicContact CD2-CD1 4.3Å; L556-L559 VanDerWaalsContact O-CB 3.32Å; L556-L559 WeakPolarHBondContact O-CB 3.24Å; L556-L559 PolarHBondContact O-N 3.24Å; L556-L559 VanDerWaalsContact O-N 3.16Å; L556-D560 PolarHBondContact O-N 3.32Å
557	R	98.1	Very high	98.1	Very high	59 Å²	59	38.7 Å²	38.7	22%	0.223	20%	0.201	C	C	.	.	H	α-helix	trans	-66.3	-32.8	174.6	-70.8	164	62.5	-160.6	0	112.6	D553 W554 I555 D560 N561 E562 I564 S578	D553-R557 WeakPolarHBondContact O-CG 3.46Å; D553-R557 PolarHBondContact O-N 2.97Å; D553-R557 WeakPolarHBondContact OD1-CD 3.2Å; D553-R557 WeakPolarHBondContact OD2-CD 3.31Å; D553-R557 IonicContact OD2-NH1 3.92Å; D553-R557 PolarHBondContact OD2-NH1 2.98Å; D553-R557 VanDerWaalsContact OD2-NH1 3.09Å; W554-R557 PolarHBondContact O-N 3.47Å; I555-R557 VanDerWaalsContact C-N 3.34Å; I555-R557 PolarHBondContact O-N 3.11Å; R557-D560 CarbonylContact O-C 3.49Å; R557-D560 PolarHBondContact O-N 2.86Å; R557-N561 PolarHBondContact O-N 2.66Å; R557-E562 HydrophobicContact CB-CB 4.32Å; R557-E562 WeakPolarHBondContact CB-OE2 3.49Å; R557-E562 WeakPolarHBondContact CG-OE2 3.47Å; R557-E562 IonicContact CZ-OE1 2.76Å; R557-E562 IonicContact CZ-OE2 3.06Å; R557-E562 IonicContact NE-OE1 2.92Å; R557-E562 PolarHBondContact NE-OE1 3.08Å; R557-E562 IonicContact NE-OE2 3.6Å; R557-E562 PolarHBondContact NE-OE2 3Å; R557-E562 IonicContact NH2-OE1 3.12Å; R557-E562 PolarHBondContact NH2-OE1 3.4Å; R557-E562 IonicContact NH2-OE2 3.65Å; R557-E562 WeakPolarHBondContact O-CB 3.38Å; R557-E562 PolarHBondContact O-N 3.33Å; R557-E562 VanDerWaalsContact O-N 3.08Å; R557-I564 HydrophobicContact CB-CD1 3.49Å; R557-I564 VanDerWaalsContact CB-CD1 3.49Å; R557-S578 PolarHBondContact NH1-O 3.43Å
558	R	98.4	Very high	98.1	Very high	26 Å²	26	38.5 Å²	38.5	10%	0.098	20%	0.201	C	C	.	.	H	α-helix	trans	-69	-31.1	170.3	-71.3	-59.2	-58.6	144.1	5	113.6	E462 K525 F527 W554 I555 L556 D560 N561 E562 I564	E462-R558 IonicContact OE1-NH2 2.87Å; E462-R558 PolarHBondContact OE1-NH2 3.19Å; E462-R558 IonicContact OE2-CZ 3.37Å; E462-R558 IonicContact OE2-NE 3.45Å; E462-R558 PolarHBondContact OE2-NE 2.88Å; E462-R558 IonicContact OE2-NH2 3.6Å; E462-R558 PolarHBondContact OE2-NH2 2.8Å; K525-R558 PolarHBondContact NZ-O 3.37Å; F527-R558 HydrophobicContact CE1-CB 4.19Å; F527-R558 HydrophobicContact CZ-CB 4.18Å; W554-R558 HydrophobicContact CD2-CG 4Å; W554-R558 HydrophobicContact CE3-CG 4.16Å; W554-R558 HydrophobicContact CH2-CG 3.94Å; W554-R558 HydrophobicContact CZ2-CG 3.76Å; W554-R558 HydrophobicContact CZ3-CG 4.14Å; W554-R558 VanDerWaalsContact O-CG 3.31Å; W554-R558 WeakPolarHBondContact O-CG 3.46Å; W554-R558 PolarHBondContact O-N 2.98Å; I555-R558 WeakPolarHBondContact O-CA 3.43Å; I555-R558 WeakPolarHBondContact O-CB 3.25Å; I555-R558 PolarHBondContact O-N 3.46Å; I555-R558 VanDerWaalsContact O-N 3.11Å; L556-R558 VanDerWaalsContact C-N 3.32Å; L556-R558 PolarHBondContact O-N 3.2Å; R558-D560 PolarHBondContact O-N 2.84Å; R558-N561 PolarHBondContact O-N 2.87Å; R558-N561 VanDerWaalsContact O-N 3.16Å; R558-E562 PolarHBondContact NH1-O 3.4Å; R558-I564 VanDerWaalsContact CD-CG1 3.48Å; R558-I564 HydrophobicContact CG-CD1 4.21Å; R558-I564 HydrophobicContact CG-CG1 4.06Å
559	L	97.8	Very high	98.1	Very high	27 Å²	27	39.1 Å²	39.1	14%	0.141	21%	0.206	C	C	.	.	H	α-helix	trans	-64.2	-30.6	169.8	-58.5	-179.2	0	0	0	111.5	D445 A446 K525 F527 I555 L556 N561	D445-L559 HydrophobicContact CB-CD1 3.79Å; A446-L559 HydrophobicContact CB-CD1 4.34Å; A446-L559 HydrophobicContact CB-CD2 4.24Å; K525-L559 HydrophobicContact CB-CD2 3.78Å; K525-L559 HydrophobicContact CD-CD2 3.9Å; K525-L559 HydrophobicContact CG-CD2 3.96Å; F527-L559 HydrophobicContact CE2-CD2 4.14Å; F527-L559 HydrophobicContact CZ-CD2 4.32Å; I555-L559 WeakPolarHBondContact O-CG 3.31Å; I555-L559 PolarHBondContact O-N 3.44Å; L556-L559 HydrophobicContact CD2-CD1 4.3Å; L556-L559 VanDerWaalsContact O-CB 3.32Å; L556-L559 WeakPolarHBondContact O-CB 3.24Å; L556-L559 PolarHBondContact O-N 3.24Å; L556-L559 VanDerWaalsContact O-N 3.16Å; L559-N561 PolarHBondContact O-N 3.08Å
560	D	97	Very high	98.1	Very high	77 Å²	77	39.1 Å²	39.1	41%	0.412	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	9	175.5	-66.9	-23.9	0	0	0	113.5	K291 R293 L556 R557 R558 E562	K291-D560 IonicContact NZ-OD1 3.27Å; K291-D560 PolarHBondContact NZ-OD1 3.13Å; K291-D560 IonicContact NZ-OD2 2.67Å; K291-D560 PolarHBondContact NZ-OD2 3.26Å; R293-D560 IonicContact NH2-OD1 2.85Å; L556-D560 PolarHBondContact O-N 3.32Å; R557-D560 CarbonylContact O-C 3.49Å; R557-D560 PolarHBondContact O-N 2.86Å; R558-D560 PolarHBondContact O-N 2.84Å; D560-E562 VanDerWaalsContact C-N 3.25Å; D560-E562 PolarHBondContact O-N 3.09Å
561	N	96.1	Very high	98.1	Very high	117 Å²	117	38.7 Å²	38.7	63%	0.626	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	27	179.1	-55.5	-56.7	0	0	0	114.6	K525 R557 R558 L559	K525-N561 PolarHBondContact NZ-OD1 3.41Å; R557-N561 PolarHBondContact O-N 2.66Å; R558-N561 PolarHBondContact O-N 2.87Å; R558-N561 VanDerWaalsContact O-N 3.16Å; L559-N561 PolarHBondContact O-N 3.08Å
562	E	98	Very high	98.1	Very high	79 Å²	79	39.9 Å²	39.9	37%	0.369	21%	0.211	S	C	.	.			trans	-63.9	137.5	173.4	-157.8	-173.3	142.3	0	0	110.8	R557 R558 D560 I564	R557-E562 HydrophobicContact CB-CB 4.32Å; R557-E562 WeakPolarHBondContact CB-OE2 3.49Å; R557-E562 WeakPolarHBondContact CG-OE2 3.47Å; R557-E562 IonicContact CZ-OE1 2.76Å; R557-E562 IonicContact CZ-OE2 3.06Å; R557-E562 IonicContact NE-OE1 2.92Å; R557-E562 PolarHBondContact NE-OE1 3.08Å; R557-E562 IonicContact NE-OE2 3.6Å; R557-E562 PolarHBondContact NE-OE2 3Å; R557-E562 IonicContact NH2-OE1 3.12Å; R557-E562 PolarHBondContact NH2-OE1 3.4Å; R557-E562 IonicContact NH2-OE2 3.65Å; R557-E562 WeakPolarHBondContact O-CB 3.38Å; R557-E562 PolarHBondContact O-N 3.33Å; R557-E562 VanDerWaalsContact O-N 3.08Å; R558-E562 PolarHBondContact NH1-O 3.4Å; D560-E562 VanDerWaalsContact C-N 3.25Å; D560-E562 PolarHBondContact O-N 3.09Å; E562-I564 HydrophobicContact CB-CD1 4.39Å; E562-I564 HydrophobicContact CB-CG1 4.33Å; E562-I564 HydrophobicContact CB-CG2 4.28Å; E562-I564 HydrophobicContact CG-CG2 3.79Å; E562-I564 PolarHBondContact O-N 3.44Å; E562-I564 WeakPolarHBondContact OE1-CG2 3.38Å
563	D	97.8	Very high	98.1	Very high	120 Å²	120	40.7 Å²	40.7	64%	0.642	22%	0.215	S	C	*	.	S	Bend	trans	-79.2	68.2	-178.7	-178.4	24.4	0	0	0	112.2	K575	D563-K575 WeakPolarHBondContact O-CE 3.36Å; D563-K575 PolarHBondContact O-NZ 3.36Å; D563-K575 IonicContact OD1-NZ 3.66Å; D563-K575 PolarHBondContact OD1-NZ 3.2Å; D563-K575 IonicContact OD2-NZ 3.79Å; D563-K575 PolarHBondContact OD2-NZ 2.72Å
564	I	98.6	Very high	98.1	Very high	11 Å²	11	39.6 Å²	39.6	6%	0.056	21%	0.209	C	C	.	.			trans	-119.5	18.5	-175.4	60.9	175.9	0	0	0	113.5	W554 R557 R558 E562 K575 S578	W554-I564 VanDerWaalsContact CD1-CD1 3.49Å; W554-I564 HydrophobicContact CG-CD1 4.16Å; W554-I564 PolarHBondContact NE1-O 3.16Å; R557-I564 HydrophobicContact CB-CD1 3.49Å; R557-I564 VanDerWaalsContact CB-CD1 3.49Å; R558-I564 VanDerWaalsContact CD-CG1 3.48Å; R558-I564 HydrophobicContact CG-CD1 4.21Å; R558-I564 HydrophobicContact CG-CG1 4.06Å; E562-I564 HydrophobicContact CB-CD1 4.39Å; E562-I564 HydrophobicContact CB-CG1 4.33Å; E562-I564 HydrophobicContact CB-CG2 4.28Å; E562-I564 HydrophobicContact CG-CG2 3.79Å; E562-I564 PolarHBondContact O-N 3.44Å; E562-I564 WeakPolarHBondContact OE1-CG2 3.38Å; I564-K575 PolarHBondContact O-N 3.37Å; I564-S578 PolarHBondContact O-OG 2.82Å
565	A	98.7	Very high	98.1	Very high	13 Å²	13	42.7 Å²	42.7	11%	0.107	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	154.2	-179.1	0	0	0	0	0	112.6	W554 L572 L573 K575	W554-A565 HydrophobicContact CZ2-CB 3.88Å; A565-L572 HydrophobicContact CB-CB 3.79Å; A565-L573 CarbonylContact C-O 3.51Å; A565-L573 WeakPolarHBondContact CA-O 3.27Å; A565-L573 WeakPolarHBondContact CB-O 3.41Å; A565-K575 WeakPolarHBondContact O-CE 3.44Å
566	V	98.1	Very high	98	Very high	66 Å²	66	49.5 Å²	49.5	40%	0.4	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143	173	-61.1	0	0	0	0	109.7	L572 L573 K575	V566-L572 CarbonylContact O-C 3.49Å; V566-L572 WeakPolarHBondContact O-CA 3.38Å; V566-L573 HydrophobicContact CG2-CB 4.01Å; V566-L573 PolarHBondContact N-O 3.47Å; V566-L573 PolarHBondContact O-N 3.43Å; V566-K575 HydrophobicContact CG1-CB 4.46Å; V566-K575 HydrophobicContact CG1-CD 4.47Å; V566-K575 HydrophobicContact CG1-CG 3.47Å; V566-K575 VanDerWaalsContact CG1-CG 3.47Å
567	N	97.7	Very high	97.8	Very high	137 Å²	137	51.9 Å²	51.9	73%	0.733	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	140.6	173.2	-74.4	-42.6	0	0	0	110.6	L572	N567-L572 WeakPolarHBondContact OD1-CD2 3.13Å
568	S	98.1	Very high	97.8	Very high	16 Å²	16	49.6 Å²	49.6	11%	0.112	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	167.6	171.1	81.8	0	0	0	0	109.7	F464 V570 G571	F464-S568 VanDerWaalsContact CZ-O 3.29Å; F464-S568 WeakPolarHBondContact CZ-O 3.13Å; S568-V570 PolarHBondContact O-N 3.44Å; S568-V570 VanDerWaalsContact O-N 3.11Å; S568-V570 PolarHBondContact OG-N 3.05Å; S568-G571 WeakPolarHBondContact CA-O 3.43Å; S568-G571 WeakPolarHBondContact CB-O 3.46Å; S568-G571 PolarHBondContact N-O 2.74Å; S568-G571 PolarHBondContact O-N 3.43Å; S568-G571 PolarHBondContact OG-N 3.17Å; S568-G571 PolarHBondContact OG-O 3.09Å
569	P	97.6	Very high	97.8	Very high	23 Å²	23	48.5 Å²	48.5	15%	0.149	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-21.4	178.3	-27.2	35.6	0	0	0	115.7	R633 I634 M637	P569-R633 HydrophobicContact CB-CB 3.87Å; P569-R633 PolarHBondContact O-NE 3.45Å; P569-I634 HydrophobicContact CB-CG1 3.93Å; P569-M637 HydrophobicContact CB-CG 4.28Å; P569-M637 HydrophobicContact CB-SD 4.25Å; P569-M637 HydrophobicContact CG-CE 4.16Å; P569-M637 HydrophobicContact CG-CG 3.34Å; P569-M637 HydrophobicContact CG-SD 3.62Å
570	V	98	Very high	97.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	0.8	-172.9	-55.8	0	0	0	0	113.3	F461 H468 S568 L595 W600	F461-V570 VanDerWaalsContact CD2-O 3.24Å; F461-V570 WeakPolarHBondContact CD2-O 3.41Å; F461-V570 WeakPolarHBondContact CE2-O 3.44Å; H468-V570 PolarHBondContact CE1-O 3.27Å; S568-V570 PolarHBondContact O-N 3.44Å; S568-V570 VanDerWaalsContact O-N 3.11Å; S568-V570 PolarHBondContact OG-N 3.05Å; V570-L595 HydrophobicContact CG2-CD1 3.78Å; V570-L595 HydrophobicContact CG2-CD2 4Å; V570-W600 HydrophobicContact CB-CH2 4.14Å; V570-W600 HydrophobicContact CB-CZ2 4.45Å; V570-W600 HydrophobicContact CB-CZ3 4.36Å; V570-W600 HydrophobicContact CG1-CD2 3.83Å; V570-W600 HydrophobicContact CG1-CE3 3.64Å; V570-W600 HydrophobicContact CG1-CH2 3.63Å; V570-W600 HydrophobicContact CG1-CZ2 3.83Å; V570-W600 HydrophobicContact CG1-CZ3 3.53Å; V570-W600 HydrophobicContact CG2-CH2 4.38Å; V570-W600 HydrophobicContact CG2-CZ2 4.3Å
571	G	98.5	Very high	97.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143	-164.1	-174.6	0	0	0	0	0	112.6	E462 F464 S568	E462-G571 CarbonylContact O-C 3.57Å; E462-G571 VanDerWaalsContact O-CA 3.24Å; E462-G571 WeakPolarHBondContact O-CA 3.27Å; F464-G571 VanDerWaalsContact CZ-CA 3.4Å; S568-G571 WeakPolarHBondContact CA-O 3.43Å; S568-G571 WeakPolarHBondContact CB-O 3.46Å; S568-G571 PolarHBondContact N-O 2.74Å; S568-G571 PolarHBondContact O-N 3.43Å; S568-G571 PolarHBondContact OG-N 3.17Å; S568-G571 PolarHBondContact OG-O 3.09Å
572	L	98.8	Very high	97.6	Very high	25 Å²	25	48.4 Å²	48.4	13%	0.131	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.1	174.7	-46.6	174	0	0	0	110	F461 E462 F464 A565 V566 N567	F461-L572 CarbonylContact C-O 3.49Å; F461-L572 VanDerWaalsContact CA-O 3.31Å; F461-L572 WeakPolarHBondContact CA-O 3.36Å; E462-L572 HydrophobicContact CB-CB 4.15Å; E462-L572 HydrophobicContact CB-CD1 4.5Å; E462-L572 HydrophobicContact CG-CD1 4.45Å; E462-L572 PolarHBondContact N-O 3.27Å; E462-L572 PolarHBondContact O-N 2.85Å; F464-L572 HydrophobicContact CD1-CD2 4.16Å; F464-L572 HydrophobicContact CD1-CG 4.37Å; F464-L572 HydrophobicContact CE1-CD2 3.83Å; F464-L572 HydrophobicContact CE1-CG 4.33Å; A565-L572 HydrophobicContact CB-CB 3.79Å; V566-L572 CarbonylContact O-C 3.49Å; V566-L572 WeakPolarHBondContact O-CA 3.38Å; N567-L572 WeakPolarHBondContact OD1-CD2 3.13Å
573	L	98.7	Very high	97.4	Very high	17 Å²	17	48.6 Å²	48.6	9%	0.089	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	154.8	175.5	-63.9	175	0	0	0	110.9	P458 F461 A565 V566 K575 F593 L595	P458-L573 HydrophobicContact CB-CD2 4.07Å; P458-L573 HydrophobicContact CG-CD2 3.78Å; F461-L573 HydrophobicContact CB-CD2 3.84Å; A565-L573 CarbonylContact C-O 3.51Å; A565-L573 WeakPolarHBondContact CA-O 3.27Å; A565-L573 WeakPolarHBondContact CB-O 3.41Å; V566-L573 HydrophobicContact CG2-CB 4.01Å; V566-L573 PolarHBondContact N-O 3.47Å; V566-L573 PolarHBondContact O-N 3.43Å; L573-K575 PolarHBondContact O-N 2.91Å; L573-F593 HydrophobicContact CD2-CD1 4.4Å; L573-L595 HydrophobicContact CD1-CD1 3.95Å; L573-L595 HydrophobicContact CD1-CG 4.28Å
574	P	98.7	Very high	97.3	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.032	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	136.3	169.6	-23.2	33	0	0	0	112.5	V460 W554 S578 I579 W589 F593	V460-P574 HydrophobicContact CG1-CG 3.56Å; W554-P574 HydrophobicContact CD2-CB 4.43Å; W554-P574 HydrophobicContact CD2-CG 3.98Å; W554-P574 HydrophobicContact CE3-CG 4.45Å; W554-P574 HydrophobicContact CG-CG 4.4Å; W554-P574 HydrophobicContact CH2-CG 4.35Å; W554-P574 HydrophobicContact CZ2-CB 4.21Å; W554-P574 HydrophobicContact CZ2-CG 3.85Å; P574-S578 WeakPolarHBondContact CB-OG 3.32Å; P574-I579 HydrophobicContact CB-CD1 3.88Å; P574-I579 HydrophobicContact CB-CG1 4.18Å; P574-I579 HydrophobicContact CG-CD1 3.61Å; P574-I579 HydrophobicContact CG-CG1 4.32Å; P574-W589 HydrophobicContact CB-CH2 4.04Å; P574-W589 HydrophobicContact CB-CZ2 4.14Å; P574-F593 HydrophobicContact CB-CE1 4.42Å; P574-F593 HydrophobicContact CB-CZ 4.4Å; P574-F593 HydrophobicContact CG-CD1 4.42Å; P574-F593 HydrophobicContact CG-CE1 3.59Å; P574-F593 HydrophobicContact CG-CZ 3.83Å
575	K	98.4	Very high	96.9	Very high	66 Å²	66	46.4 Å²	46.4	29%	0.287	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-59.6	144.7	164.5	-78.5	177	-172	174.6	0	109.3	D563 I564 A565 V566 L573 G577 S578 W589	D563-K575 WeakPolarHBondContact O-CE 3.36Å; D563-K575 PolarHBondContact O-NZ 3.36Å; D563-K575 IonicContact OD1-NZ 3.66Å; D563-K575 PolarHBondContact OD1-NZ 3.2Å; D563-K575 IonicContact OD2-NZ 3.79Å; D563-K575 PolarHBondContact OD2-NZ 2.72Å; I564-K575 PolarHBondContact O-N 3.37Å; A565-K575 WeakPolarHBondContact O-CE 3.44Å; V566-K575 HydrophobicContact CG1-CB 4.46Å; V566-K575 HydrophobicContact CG1-CD 4.47Å; V566-K575 HydrophobicContact CG1-CG 3.47Å; V566-K575 VanDerWaalsContact CG1-CG 3.47Å; L573-K575 PolarHBondContact O-N 2.91Å; K575-G577 PolarHBondContact O-N 3.39Å; K575-S578 PolarHBondContact N-OG 2.92Å; K575-S578 VanDerWaalsContact O-CB 3.26Å; K575-S578 WeakPolarHBondContact O-CB 3.5Å; K575-S578 PolarHBondContact O-N 3.38Å; K575-S578 PolarHBondContact O-OG 2.93Å; K575-W589 WeakPolarHBondContact O-CH2 3.45Å; K575-W589 WeakPolarHBondContact O-CZ2 3.11Å
576	K	96.7	Very high	96.6	Very high	142 Å²	142	52.5 Å²	52.5	62%	0.617	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	126.1	175.6	-168.2	162.9	-173	161.1	0	110.1	W589 D590	K576-W589 VanDerWaalsContact CA-CZ2 3.46Å; K576-W589 HydrophobicContact CB-CZ2 4.39Å; K576-W589 HydrophobicContact CD-CG 4.42Å; K576-W589 HydrophobicContact CG-CD2 4.14Å; K576-W589 HydrophobicContact CG-CG 4.15Å; K576-D590 IonicContact NZ-OD1 2.84Å; K576-D590 PolarHBondContact NZ-OD1 3.32Å; K576-D590 IonicContact NZ-OD2 3.18Å; K576-D590 PolarHBondContact NZ-OD2 3.29Å
577	G	94.2	Very high	96.4	Very high	63 Å²	63	51.7 Å²	51.7	65%	0.649	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-0.6	-176.3	0	0	0	0	0	115.8	K575	K575-G577 PolarHBondContact O-N 3.39Å
578	S	97.6	Very high	96.3	Very high	12 Å²	12	48.7 Å²	48.7	8%	0.084	31%	0.307	C	S	.	.			trans	-78	-21.1	179	61.8	0	0	0	0	114.6	R557 I564 P574 K575	R557-S578 PolarHBondContact NH1-O 3.43Å; I564-S578 PolarHBondContact O-OG 2.82Å; P574-S578 WeakPolarHBondContact CB-OG 3.32Å; K575-S578 PolarHBondContact N-OG 2.92Å; K575-S578 VanDerWaalsContact O-CB 3.26Å; K575-S578 WeakPolarHBondContact O-CB 3.5Å; K575-S578 PolarHBondContact O-N 3.38Å; K575-S578 PolarHBondContact O-OG 2.93Å
579	I	98.1	Very high	96.2	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	31%	0.308	C	S	.	.	S	Bend	trans	-91.9	130.5	170.3	-70.4	168.4	0	0	0	107.9	V460 R550 V551 W554 P574 M581 W589 F593	V460-I579 HydrophobicContact CG1-CD1 4.13Å; R550-I579 HydrophobicContact CB-CG2 3.97Å; V551-I579 HydrophobicContact CG2-CD1 4.49Å; W554-I579 HydrophobicContact CB-CG1 3.87Å; W554-I579 HydrophobicContact CG-CG1 4.04Å; P574-I579 HydrophobicContact CB-CD1 3.88Å; P574-I579 HydrophobicContact CB-CG1 4.18Å; P574-I579 HydrophobicContact CG-CD1 3.61Å; P574-I579 HydrophobicContact CG-CG1 4.32Å; I579-M581 HydrophobicContact CB-CE 4.04Å; I579-M581 HydrophobicContact CG2-CE 3.71Å; I579-M581 HydrophobicContact CG2-SD 4.24Å; I579-M581 PolarHBondContact O-N 2.89Å; I579-W589 HydrophobicContact CB-CH2 4.32Å; I579-W589 HydrophobicContact CB-CZ3 4.19Å; I579-W589 HydrophobicContact CD1-CH2 4.42Å; I579-F593 HydrophobicContact CD1-CE2 4.35Å; I579-F593 HydrophobicContact CD1-CZ 3.64Å
580	N	96.4	Very high	96.1	Very high	52 Å²	52	53.1 Å²	53.1	28%	0.278	33%	0.326	S	S	.	.			trans	-64.1	115.8	175.9	-177.6	-41.4	0	0	0	110.4	L315 R550 D582	L315-N580 HydrophobicContact CD1-CB 4.48Å; R550-N580 VanDerWaalsContact CD-O 3.28Å; R550-N580 WeakPolarHBondContact CD-O 3.48Å; R550-N580 WeakPolarHBondContact CG-O 3.33Å; R550-N580 PolarHBondContact NH1-O 2.84Å; R550-N580 PolarHBondContact NH1-OD1 2.99Å; N580-D582 PolarHBondContact ND2-OD2 2.77Å; N580-D582 VanDerWaalsContact OD1-CB 3.26Å; N580-D582 WeakPolarHBondContact OD1-CB 3.39Å; N580-D582 PolarHBondContact OD1-N 3.41Å; N580-D582 PolarHBondContact OD1-OD2 3.11Å
581	M	96	Very high	96.1	Very high	48 Å²	48	55.5 Å²	55.5	24%	0.236	34%	0.337	C	S	.	.			trans	-104.1	4.2	177.5	-63.2	-61.4	179.6	0	0	113.3	W542 I579 G583 L584 W589	W542-M581 HydrophobicContact CH2-CE 4.44Å; W542-M581 HydrophobicContact CH2-SD 4.17Å; W542-M581 HydrophobicContact CZ3-CE 3.94Å; W542-M581 HydrophobicContact CZ3-SD 3.78Å; I579-M581 HydrophobicContact CB-CE 4.04Å; I579-M581 HydrophobicContact CG2-CE 3.71Å; I579-M581 HydrophobicContact CG2-SD 4.24Å; I579-M581 PolarHBondContact O-N 2.89Å; M581-G583 PolarHBondContact O-N 3.44Å; M581-L584 WeakPolarHBondContact O-CB 3.19Å; M581-L584 PolarHBondContact O-N 2.92Å; M581-L584 VanDerWaalsContact O-N 3.14Å; M581-L584 HydrophobicContact SD-CD1 3.78Å; M581-W589 HydrophobicContact CE-CE3 3.62Å; M581-W589 HydrophobicContact CE-CZ3 3.45Å; M581-W589 VanDerWaalsContact CE-CZ3 3.45Å
582	D	94.5	Very high	96	Very high	119 Å²	119	55.5 Å²	55.5	64%	0.636	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	132	-176	-58.5	-28.8	0	0	0	111.2	R550 N580 L584	R550-D582 VanDerWaalsContact CZ-O 3.24Å; R550-D582 PolarHBondContact NH1-O 3.13Å; R550-D582 PolarHBondContact NH2-O 2.96Å; N580-D582 PolarHBondContact ND2-OD2 2.77Å; N580-D582 VanDerWaalsContact OD1-CB 3.26Å; N580-D582 WeakPolarHBondContact OD1-CB 3.39Å; N580-D582 PolarHBondContact OD1-N 3.41Å; N580-D582 PolarHBondContact OD1-OD2 3.11Å; D582-L584 PolarHBondContact O-N 2.65Å
583	G	94.3	Very high	96	Very high	83 Å²	83	55 Å²	55	86%	0.856	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-0.9	-179.1	0	0	0	0	0	115	M581	M581-G583 PolarHBondContact O-N 3.44Å
584	L	94.9	Very high	95.9	Very high	33 Å²	33	56 Å²	56	17%	0.173	34%	0.342	C	S	.	.			trans	-82.7	151.6	170	-59.1	-173.6	0	0	0	110.9	W542 P543 D547 M581 D582 I587	W542-L584 HydrophobicContact CH2-CD1 3.67Å; W542-L584 HydrophobicContact CZ3-CD1 3.66Å; P543-L584 HydrophobicContact CG-CD2 4.07Å; D547-L584 HydrophobicContact CB-CD2 4.36Å; D547-L584 WeakPolarHBondContact OD1-CD2 2.99Å; M581-L584 WeakPolarHBondContact O-CB 3.19Å; M581-L584 PolarHBondContact O-N 2.92Å; M581-L584 VanDerWaalsContact O-N 3.14Å; M581-L584 HydrophobicContact SD-CD1 3.78Å; D582-L584 PolarHBondContact O-N 2.65Å; L584-I587 HydrophobicContact CB-CG1 4.17Å; L584-I587 HydrophobicContact CD1-CG1 4.2Å
585	G	91	Very high	95.9	Very high	53 Å²	53	57 Å²	57	55%	0.546	35%	0.347	S	S	.	.			trans	-65.5	-174.3	166.8	0	0	0	0	0	112.1	I587	G585-I587 PolarHBondContact O-N 2.64Å
586	P	92.1	Very high	95.8	Very high	141 Å²	141	56.3 Å²	56.3	92%	0.916	35%	0.349	S	S	*	.			trans	-61.5	111.3	178.6	25.9	-33.7	0	0	0	110.8
587	I	94.9	Very high	95.9	Very high	48 Å²	48	53 Å²	53	25%	0.246	34%	0.335	C	S	.	.			trans	-104.8	124.6	173.8	-58.1	-59.5	0	0	0	108.7	L584 G585 W589 L592	L584-I587 HydrophobicContact CB-CG1 4.17Å; L584-I587 HydrophobicContact CD1-CG1 4.2Å; G585-I587 PolarHBondContact O-N 2.64Å; I587-W589 PolarHBondContact O-N 2.9Å; I587-L592 HydrophobicContact CG2-CD2 3.8Å
588	N	95.1	Very high	96	Very high	75 Å²	75	56.2 Å²	56.2	40%	0.401	34%	0.337	S	S	.	.			trans	-77.9	89.2	174.7	-171.8	-11	0	0	0	110.3	D590 E591 L592	N588-D590 VanDerWaalsContact C-N 3.32Å; N588-D590 PolarHBondContact O-N 3.4Å; N588-D590 PolarHBondContact OD1-N 3.41Å; N588-E591 HydrophobicContact CB-CB 4.03Å; N588-E591 VanDerWaalsContact ND2-CB 3.27Å; N588-E591 WeakPolarHBondContact ND2-CB 3.34Å; N588-E591 PolarHBondContact ND2-OE2 3.4Å; N588-E591 PolarHBondContact O-N 3.03Å; N588-E591 PolarHBondContact OD1-N 3.44Å; N588-L592 WeakPolarHBondContact O-CB 3.47Å; N588-L592 PolarHBondContact O-N 3.44Å
589	W	96.3	Very high	96	Very high	34 Å²	34	57.5 Å²	57.5	13%	0.129	34%	0.34	C	S	.	.	H	α-helix	trans	-53.8	-47.6	-179.5	-178.9	-78.4	0	0	0	112.4	P574 K575 K576 I579 M581 I587 E591 L592 F593	P574-W589 HydrophobicContact CB-CH2 4.04Å; P574-W589 HydrophobicContact CB-CZ2 4.14Å; K575-W589 WeakPolarHBondContact O-CH2 3.45Å; K575-W589 WeakPolarHBondContact O-CZ2 3.11Å; K576-W589 VanDerWaalsContact CA-CZ2 3.46Å; K576-W589 HydrophobicContact CB-CZ2 4.39Å; K576-W589 HydrophobicContact CD-CG 4.42Å; K576-W589 HydrophobicContact CG-CD2 4.14Å; K576-W589 HydrophobicContact CG-CG 4.15Å; I579-W589 HydrophobicContact CB-CH2 4.32Å; I579-W589 HydrophobicContact CB-CZ3 4.19Å; I579-W589 HydrophobicContact CD1-CH2 4.42Å; M581-W589 HydrophobicContact CE-CE3 3.62Å; M581-W589 HydrophobicContact CE-CZ3 3.45Å; M581-W589 VanDerWaalsContact CE-CZ3 3.45Å; I587-W589 PolarHBondContact O-N 2.9Å; W589-E591 PolarHBondContact O-N 2.91Å; W589-L592 PolarHBondContact O-N 3.01Å; W589-F593 AromaticContact CD2-CD2 3.84Å; W589-F593 HydrophobicContact CD2-CD2 3.84Å; W589-F593 HydrophobicContact CD2-CE2 4.05Å; W589-F593 AromaticContact CE2-CD2 3.54Å; W589-F593 AromaticContact CE2-CE2 3.88Å; W589-F593 HydrophobicContact CE3-CD2 4.36Å; W589-F593 HydrophobicContact CE3-CE2 4.09Å; W589-F593 HydrophobicContact CG-CD2 4.23Å; W589-F593 HydrophobicContact CH2-CD2 4.31Å; W589-F593 AromaticContact CH2-CE2 3.81Å; W589-F593 HydrophobicContact CH2-CE2 3.81Å; W589-F593 HydrophobicContact CH2-CZ 4.41Å; W589-F593 AromaticContact CZ2-CD2 3.77Å; W589-F593 HydrophobicContact CZ2-CD2 3.77Å; W589-F593 AromaticContact CZ2-CE2 3.74Å; W589-F593 HydrophobicContact CZ2-CE2 3.74Å; W589-F593 HydrophobicContact CZ2-CG 4.49Å; W589-F593 HydrophobicContact CZ2-CZ 4.46Å; W589-F593 HydrophobicContact CZ3-CE2 4.01Å; W589-F593 AromaticContact NE1-CD2 3.84Å; W589-F593 PolarHBondContact O-N 2.89Å
590	D	95.9	Very high	96	Very high	98 Å²	98	58 Å²	58	52%	0.524	34%	0.342	S	S	.	.	H	α-helix	trans	-69.1	-38.8	-171.8	-59.5	-30.9	0	0	0	110.3	K576 N588 S594	K576-D590 IonicContact NZ-OD1 2.84Å; K576-D590 PolarHBondContact NZ-OD1 3.32Å; K576-D590 IonicContact NZ-OD2 3.18Å; K576-D590 PolarHBondContact NZ-OD2 3.29Å; N588-D590 VanDerWaalsContact C-N 3.32Å; N588-D590 PolarHBondContact O-N 3.4Å; N588-D590 PolarHBondContact OD1-N 3.41Å; D590-S594 WeakPolarHBondContact O-CA 3.31Å; D590-S594 WeakPolarHBondContact O-CB 3.44Å; D590-S594 PolarHBondContact O-N 2.88Å
591	E	96.6	Very high	96.1	Very high	50 Å²	50	58.1 Å²	58.1	23%	0.234	34%	0.343	C	S	.	.	H	α-helix	trans	-68.4	-44.2	172.6	-172	178	-173.5	0	0	112	R533 S535 L541 N588 W589 F593 S594	R533-E591 PolarHBondContact NE-O 3.29Å; R533-E591 PolarHBondContact NH1-O 3.33Å; R533-E591 VanDerWaalsContact NH1-O 3.08Å; R533-E591 PolarHBondContact NH2-O 3.3Å; S535-E591 WeakPolarHBondContact CA-OE1 3.31Å; L541-E591 HydrophobicContact CD1-CB 4.43Å; L541-E591 HydrophobicContact CD1-CG 3.75Å; L541-E591 HydrophobicContact CD2-CG 4.37Å; N588-E591 HydrophobicContact CB-CB 4.03Å; N588-E591 VanDerWaalsContact ND2-CB 3.27Å; N588-E591 WeakPolarHBondContact ND2-CB 3.34Å; N588-E591 PolarHBondContact ND2-OE2 3.4Å; N588-E591 PolarHBondContact O-N 3.03Å; N588-E591 PolarHBondContact OD1-N 3.44Å; W589-E591 PolarHBondContact O-N 2.91Å; E591-F593 VanDerWaalsContact C-N 3.32Å; E591-F593 PolarHBondContact O-N 2.79Å; E591-S594 PolarHBondContact O-N 3.35Å; E591-S594 PolarHBondContact O-OG 3.28Å
592	L	97.5	Very high	96.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-60.2	-38.3	-178.2	-174.9	64.7	0	0	0	112.9	P458 L459 R533 L541 W542 I587 N588 W589	P458-L592 WeakPolarHBondContact CA-O 3.49Å; L459-L592 HydrophobicContact CB-CD1 3.93Å; L459-L592 HydrophobicContact CB-CD2 4.16Å; L459-L592 HydrophobicContact CB-CG 3.84Å; L459-L592 HydrophobicContact CD2-CD2 3.84Å; L459-L592 HydrophobicContact CD2-CG 4.45Å; L459-L592 PolarHBondContact N-O 2.77Å; R533-L592 PolarHBondContact NH1-O 3.48Å; L541-L592 HydrophobicContact CB-CD1 3.8Å; W542-L592 HydrophobicContact CB-CD1 4.32Å; W542-L592 HydrophobicContact CE3-CD2 4.06Å; I587-L592 HydrophobicContact CG2-CD2 3.8Å; N588-L592 WeakPolarHBondContact O-CB 3.47Å; N588-L592 PolarHBondContact O-N 3.44Å; W589-L592 PolarHBondContact O-N 3.01Å
593	F	98.2	Very high	96.3	Very high	14 Å²	14	56.4 Å²	56.4	6%	0.061	33%	0.331	C	S	.	.	H	α-helix	trans	-104.4	1.3	-179.7	-71.1	-76.3	0	0	0	114.6	P458 L459 V460 L573 P574 I579 W589 E591	P458-F593 HydrophobicContact CB-CD1 4.03Å; L459-F593 HydrophobicContact CB-CE1 3.91Å; L459-F593 HydrophobicContact CB-CZ 3.83Å; L459-F593 HydrophobicContact CD2-CZ 4.06Å; L459-F593 HydrophobicContact CG-CZ 4.39Å; V460-F593 HydrophobicContact CG1-CE1 4.04Å; V460-F593 HydrophobicContact CG1-CZ 4.38Å; L573-F593 HydrophobicContact CD2-CD1 4.4Å; P574-F593 HydrophobicContact CB-CE1 4.42Å; P574-F593 HydrophobicContact CB-CZ 4.4Å; P574-F593 HydrophobicContact CG-CD1 4.42Å; P574-F593 HydrophobicContact CG-CE1 3.59Å; P574-F593 HydrophobicContact CG-CZ 3.83Å; I579-F593 HydrophobicContact CD1-CE2 4.35Å; I579-F593 HydrophobicContact CD1-CZ 3.64Å; W589-F593 AromaticContact CD2-CD2 3.84Å; W589-F593 HydrophobicContact CD2-CD2 3.84Å; W589-F593 HydrophobicContact CD2-CE2 4.05Å; W589-F593 AromaticContact CE2-CD2 3.54Å; W589-F593 AromaticContact CE2-CE2 3.88Å; W589-F593 HydrophobicContact CE3-CD2 4.36Å; W589-F593 HydrophobicContact CE3-CE2 4.09Å; W589-F593 HydrophobicContact CG-CD2 4.23Å; W589-F593 HydrophobicContact CH2-CD2 4.31Å; W589-F593 AromaticContact CH2-CE2 3.81Å; W589-F593 HydrophobicContact CH2-CE2 3.81Å; W589-F593 HydrophobicContact CH2-CZ 4.41Å; W589-F593 AromaticContact CZ2-CD2 3.77Å; W589-F593 HydrophobicContact CZ2-CD2 3.77Å; W589-F593 AromaticContact CZ2-CE2 3.74Å; W589-F593 HydrophobicContact CZ2-CE2 3.74Å; W589-F593 HydrophobicContact CZ2-CG 4.49Å; W589-F593 HydrophobicContact CZ2-CZ 4.46Å; W589-F593 HydrophobicContact CZ3-CE2 4.01Å; W589-F593 AromaticContact NE1-CD2 3.84Å; W589-F593 PolarHBondContact O-N 2.89Å; E591-F593 VanDerWaalsContact C-N 3.32Å; E591-F593 PolarHBondContact O-N 2.79Å
594	S	97	Very high	96.4	Very high	39 Å²	39	52.6 Å²	52.6	27%	0.273	29%	0.291	S	S	.	.			trans	-60.4	143.4	177.4	58.2	0	0	0	0	112	R533 D590 E591	R533-S594 PolarHBondContact NH1-O 3.03Å; R533-S594 PolarHBondContact NH2-O 3.37Å; R533-S594 PolarHBondContact NH2-OG 3.22Å; D590-S594 WeakPolarHBondContact O-CA 3.31Å; D590-S594 WeakPolarHBondContact O-CB 3.44Å; D590-S594 PolarHBondContact O-N 2.88Å; E591-S594 PolarHBondContact O-N 3.35Å; E591-S594 PolarHBondContact O-OG 3.28Å
595	L	97.9	Very high	96.5	Very high	25 Å²	25	57.3 Å²	57.3	13%	0.131	31%	0.31	C	S	.	.			trans	-119	84.6	171.1	-58.1	-180	0	0	0	108.5	P458 V570 L573 K597 W600 M637	P458-L595 HydrophobicContact CB-CD2 4.39Å; P458-L595 HydrophobicContact CG-CD2 3.89Å; V570-L595 HydrophobicContact CG2-CD1 3.78Å; V570-L595 HydrophobicContact CG2-CD2 4Å; L573-L595 HydrophobicContact CD1-CD1 3.95Å; L573-L595 HydrophobicContact CD1-CG 4.28Å; L595-K597 PolarHBondContact O-N 2.78Å; L595-W600 HydrophobicContact CD2-CZ2 3.82Å; L595-M637 HydrophobicContact CB-CE 4.01Å; L595-M637 WeakPolarHBondContact O-CE 3.37Å
596	P	97.1	Very high	96.8	Very high	51 Å²	51	58.3 Å²	58.3	33%	0.331	30%	0.3	S	S	.	.			trans	-63.4	123.6	-180	-19.9	32.5	0	0	0	110.7	D598 Y599 W600	P596-D598 VanDerWaalsContact C-N 3.34Å; P596-D598 PolarHBondContact O-N 3.05Å; P596-Y599 WeakPolarHBondContact O-CB 3.4Å; P596-Y599 PolarHBondContact O-N 3.21Å; P596-W600 VanDerWaalsContact O-CD1 3.31Å; P596-W600 PolarHBondContact O-N 3.32Å; P596-W600 VanDerWaalsContact O-N 3.16Å
597	K	97.6	Very high	97.1	Very high	74 Å²	74	51.6 Å²	51.6	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-55.4	-47	-174.5	-174.2	175.8	-175.3	167.1	0	112.4	L595 Y599 W600 L601 I634 K635 M637	L595-K597 PolarHBondContact O-N 2.78Å; K597-Y599 VanDerWaalsContact C-N 3.34Å; K597-Y599 PolarHBondContact O-N 3.06Å; K597-W600 PolarHBondContact O-N 2.84Å; K597-W600 VanDerWaalsContact O-N 3.16Å; K597-L601 HydrophobicContact CG-CD1 4.01Å; K597-L601 HydrophobicContact CG-CG 4.33Å; K597-L601 WeakPolarHBondContact O-CG 3.31Å; K597-L601 PolarHBondContact O-N 3.27Å; K597-I634 WeakPolarHBondContact CE-O 3.45Å; K597-K635 WeakPolarHBondContact CE-O 3.39Å; K597-K635 PolarHBondContact NZ-O 3.37Å; K597-M637 HydrophobicContact CB-SD 4.41Å; K597-M637 HydrophobicContact CD-CB 4.09Å; K597-M637 WeakPolarHBondContact CE-OXT 3.3Å; K597-M637 HydrophobicContact CG-CB 4.31Å; K597-M637 HydrophobicContact CG-SD 4.41Å; K597-M637 PolarHBondContact NZ-OXT 2.84Å
598	D	97.4	Very high	97.2	Very high	129 Å²	129	52 Å²	52	69%	0.69	26%	0.255	S	S	*	.	H	α-helix	trans	-61.9	-41.1	-179.1	-63.7	-16.2	0	0	0	112.3	P596 W600 L601 E602	P596-D598 VanDerWaalsContact C-N 3.34Å; P596-D598 PolarHBondContact O-N 3.05Å; D598-W600 VanDerWaalsContact C-N 3.33Å; D598-W600 PolarHBondContact O-N 3.33Å; D598-L601 PolarHBondContact O-N 3.03Å; D598-E602 PolarHBondContact O-N 2.87Å
599	Y	97.5	Very high	97.4	Very high	39 Å²	39	54.3 Å²	54.3	15%	0.153	26%	0.262	C	S	.	.	H	α-helix	trans	-58.2	-47.9	174.8	174	-83.8	0	0	0	110.9	R453 E455 V457 P596 K597 E602 D603	R453-Y599 PolarHBondContact NH2-OH 2.91Å; E455-Y599 HydrophobicContact CB-CE2 4.2Å; E455-Y599 HydrophobicContact CG-CD2 4.1Å; E455-Y599 HydrophobicContact CG-CE2 4.11Å; E455-Y599 WeakPolarHBondContact O-CE2 3.16Å; E455-Y599 VanDerWaalsContact O-CZ 3.23Å; E455-Y599 PolarHBondContact O-OH 2.85Å; V457-Y599 HydrophobicContact CG2-CE1 4.44Å; V457-Y599 WeakPolarHBondContact CG2-OH 3.26Å; P596-Y599 WeakPolarHBondContact O-CB 3.4Å; P596-Y599 PolarHBondContact O-N 3.21Å; K597-Y599 VanDerWaalsContact C-N 3.34Å; K597-Y599 PolarHBondContact O-N 3.06Å; Y599-E602 PolarHBondContact O-N 3.23Å; Y599-D603 HydrophobicContact CD1-CB 4.49Å; Y599-D603 HydrophobicContact CE1-CB 4.24Å; Y599-D603 VanDerWaalsContact O-CB 3.27Å; Y599-D603 WeakPolarHBondContact O-CB 3.18Å; Y599-D603 PolarHBondContact O-N 2.86Å
600	W	98.1	Very high	97.4	Very high	13 Å²	13	53.1 Å²	53.1	5%	0.049	26%	0.257	C	S	.	.	H	α-helix	trans	-74.5	-28.8	-175.7	-78.7	102.8	0	0	0	113.1	G456 V457 V570 L595 P596 K597 D598 S604 I634	G456-W600 PolarHBondContact O-NE1 3.47Å; V457-W600 HydrophobicContact CG2-CH2 4.43Å; V457-W600 HydrophobicContact CG2-CZ2 4.48Å; V570-W600 HydrophobicContact CB-CH2 4.14Å; V570-W600 HydrophobicContact CB-CZ2 4.45Å; V570-W600 HydrophobicContact CB-CZ3 4.36Å; V570-W600 HydrophobicContact CG1-CD2 3.83Å; V570-W600 HydrophobicContact CG1-CE3 3.64Å; V570-W600 HydrophobicContact CG1-CH2 3.63Å; V570-W600 HydrophobicContact CG1-CZ2 3.83Å; V570-W600 HydrophobicContact CG1-CZ3 3.53Å; V570-W600 HydrophobicContact CG2-CH2 4.38Å; V570-W600 HydrophobicContact CG2-CZ2 4.3Å; L595-W600 HydrophobicContact CD2-CZ2 3.82Å; P596-W600 VanDerWaalsContact O-CD1 3.31Å; P596-W600 PolarHBondContact O-N 3.32Å; P596-W600 VanDerWaalsContact O-N 3.16Å; K597-W600 PolarHBondContact O-N 2.84Å; K597-W600 VanDerWaalsContact O-N 3.16Å; D598-W600 VanDerWaalsContact C-N 3.33Å; D598-W600 PolarHBondContact O-N 3.33Å; W600-S604 VanDerWaalsContact O-CB 3.31Å; W600-S604 WeakPolarHBondContact O-CB 3.36Å; W600-S604 PolarHBondContact O-N 3.46Å; W600-S604 PolarHBondContact O-OG 2.97Å; W600-I634 HydrophobicContact CB-CD1 3.87Å; W600-I634 HydrophobicContact CB-CG1 4.11Å; W600-I634 HydrophobicContact CB-CG2 3.75Å; W600-I634 HydrophobicContact CE3-CD1 4.23Å
601	L	97.7	Very high	97.6	Very high	55 Å²	55	48.4 Å²	48.4	29%	0.288	23%	0.232	S	C	.	.	H	α-helix	trans	-65.5	-47.2	170.3	-74.4	173.3	0	0	0	111.2	K597 D598 S604 K605 I634 K635	K597-L601 HydrophobicContact CG-CD1 4.01Å; K597-L601 HydrophobicContact CG-CG 4.33Å; K597-L601 WeakPolarHBondContact O-CG 3.31Å; K597-L601 PolarHBondContact O-N 3.27Å; D598-L601 PolarHBondContact O-N 3.03Å; L601-S604 PolarHBondContact O-N 3.22Å; L601-K605 WeakPolarHBondContact O-CB 3.28Å; L601-K605 PolarHBondContact O-N 3.08Å; L601-I634 HydrophobicContact CD2-CG2 3.79Å; L601-I634 HydrophobicContact CG-CG2 3.88Å; L601-K635 HydrophobicContact CD2-CG 3.87Å
602	E	97.3	Very high	97.6	Very high	116 Å²	116	49.3 Å²	49.3	54%	0.542	24%	0.237	S	C	.	.	H	α-helix	trans	-66.9	-41.5	176.2	-72.8	-60.6	119.8	0	0	111.7	D598 Y599 S604 K605 E606	D598-E602 PolarHBondContact O-N 2.87Å; Y599-E602 PolarHBondContact O-N 3.23Å; E602-S604 VanDerWaalsContact C-N 3.34Å; E602-S604 PolarHBondContact O-N 2.89Å; E602-K605 PolarHBondContact O-N 3.07Å; E602-E606 VanDerWaalsContact O-CB 3.25Å; E602-E606 WeakPolarHBondContact O-CB 3.42Å; E602-E606 PolarHBondContact O-N 3.22Å
603	D	97	Very high	97.6	Very high	15 Å²	15	52.7 Å²	52.7	8%	0.08	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-42.3	176	-163.2	97.9	0	0	0	111.1	R453 K477 Y599 E606 V607	R453-D603 IonicContact CZ-OD1 2.78Å; R453-D603 IonicContact NH1-OD1 3.76Å; R453-D603 IonicContact NH2-OD1 3.25Å; R453-D603 PolarHBondContact NH2-OD1 3.09Å; K477-D603 WeakPolarHBondContact CE-OD1 3.3Å; K477-D603 IonicContact NZ-OD1 2.64Å; K477-D603 PolarHBondContact NZ-OD1 3.21Å; K477-D603 IonicContact NZ-OD2 3.55Å; K477-D603 PolarHBondContact NZ-OD2 3.44Å; Y599-D603 HydrophobicContact CD1-CB 4.49Å; Y599-D603 HydrophobicContact CE1-CB 4.24Å; Y599-D603 VanDerWaalsContact O-CB 3.27Å; Y599-D603 WeakPolarHBondContact O-CB 3.18Å; Y599-D603 PolarHBondContact O-N 2.86Å; D603-E606 PolarHBondContact O-N 3.08Å; D603-V607 WeakPolarHBondContact O-CB 3.32Å; D603-V607 VanDerWaalsContact O-CG2 3.27Å; D603-V607 WeakPolarHBondContact O-CG2 3.2Å; D603-V607 PolarHBondContact O-N 2.78Å
604	S	97.2	Very high	97.6	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-66.4	-42.7	177.7	-57.9	0	0	0	0	112.6	W600 L601 E602 E606 V607 R608 I634	W600-S604 VanDerWaalsContact O-CB 3.31Å; W600-S604 WeakPolarHBondContact O-CB 3.36Å; W600-S604 PolarHBondContact O-N 3.46Å; W600-S604 PolarHBondContact O-OG 2.97Å; L601-S604 PolarHBondContact O-N 3.22Å; E602-S604 VanDerWaalsContact C-N 3.34Å; E602-S604 PolarHBondContact O-N 2.89Å; S604-E606 VanDerWaalsContact C-N 3.3Å; S604-E606 PolarHBondContact O-N 3.04Å; S604-V607 PolarHBondContact O-N 3.18Å; S604-R608 WeakPolarHBondContact O-CB 3.19Å; S604-R608 PolarHBondContact O-N 3.25Å; S604-I634 WeakPolarHBondContact OG-CD1 3.48Å
605	K	97.6	Very high	97.7	Very high	131 Å²	131	51 Å²	51	57%	0.57	24%	0.241	S	C	*	.	H	α-helix	trans	-61.2	-41.1	175.1	178.6	-176.6	172.9	-169.5	0	111.5	L601 E602 K609	L601-K605 WeakPolarHBondContact O-CB 3.28Å; L601-K605 PolarHBondContact O-N 3.08Å; E602-K605 PolarHBondContact O-N 3.07Å; K605-K609 WeakPolarHBondContact O-CB 3.32Å; K605-K609 PolarHBondContact O-N 3.27Å
606	E	97.2	Very high	97.7	Very high	74 Å²	74	50.2 Å²	50.2	35%	0.346	24%	0.238	S	C	.	.	H	α-helix	trans	-67.4	-45.6	177.5	-168.6	-75.9	138.8	0	0	111.6	K477 H493 E602 D603 S604 R608 K609 F610	K477-E606 IonicContact NZ-OE2 3.52Å; K477-E606 PolarHBondContact NZ-OE2 3.39Å; H493-E606 IonicContact CD2-OE1 3.62Å; H493-E606 IonicContact CE1-OE1 2.78Å; H493-E606 IonicContact CE1-OE2 3.67Å; H493-E606 PolarHBondContact CE1-OE2 3.47Å; H493-E606 VanDerWaalsContact CE1-OE2 3.32Å; H493-E606 VanDerWaalsContact NE2-CD 3.28Å; H493-E606 IonicContact NE2-OE1 2.84Å; H493-E606 PolarHBondContact NE2-OE1 2.94Å; H493-E606 IonicContact NE2-OE2 2.66Å; H493-E606 PolarHBondContact NE2-OE2 3.46Å; H493-E606 VanDerWaalsContact NE2-OE2 3.15Å; E602-E606 VanDerWaalsContact O-CB 3.25Å; E602-E606 WeakPolarHBondContact O-CB 3.42Å; E602-E606 PolarHBondContact O-N 3.22Å; D603-E606 PolarHBondContact O-N 3.08Å; S604-E606 VanDerWaalsContact C-N 3.3Å; S604-E606 PolarHBondContact O-N 3.04Å; E606-R608 PolarHBondContact O-N 3.47Å; E606-K609 WeakPolarHBondContact O-CB 3.46Å; E606-K609 PolarHBondContact O-N 2.88Å; E606-F610 PolarHBondContact O-N 3.16Å
607	V	97.8	Very high	97.7	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-42.7	174.9	166.7	0	0	0	0	111.4	C475 D603 S604 F610 F611 L627	C475-V607 HydrophobicContact CB-CG1 4.46Å; C475-V607 HydrophobicContact CB-CG2 4.38Å; C475-V607 VanDerWaalsContact SG-CG1 3.57Å; D603-V607 WeakPolarHBondContact O-CB 3.32Å; D603-V607 VanDerWaalsContact O-CG2 3.27Å; D603-V607 WeakPolarHBondContact O-CG2 3.2Å; D603-V607 PolarHBondContact O-N 2.78Å; S604-V607 PolarHBondContact O-N 3.18Å; V607-F610 WeakPolarHBondContact O-CB 3.34Å; V607-F610 PolarHBondContact O-N 3.41Å; V607-F611 HydrophobicContact CG1-CD2 3.9Å; V607-F611 HydrophobicContact CG1-CE2 3.58Å; V607-F611 HydrophobicContact CG1-CZ 4.11Å; V607-F611 PolarHBondContact O-N 3.26Å; V607-L627 HydrophobicContact CG1-CD1 3.99Å
608	R	98.2	Very high	97.7	Very high	57 Å²	57	50.9 Å²	50.9	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-58.2	-51	174.6	-175.7	173.7	-64.3	-82.2	6.9	110.6	S604 E606 F610 F611 E612 L627 D628 E631	S604-R608 WeakPolarHBondContact O-CB 3.19Å; S604-R608 PolarHBondContact O-N 3.25Å; E606-R608 PolarHBondContact O-N 3.47Å; R608-F610 VanDerWaalsContact C-N 3.3Å; R608-F610 PolarHBondContact O-N 2.78Å; R608-F611 PolarHBondContact O-N 3.49Å; R608-E612 HydrophobicContact CG-CG 4.41Å; R608-E612 WeakPolarHBondContact O-CG 3.41Å; R608-E612 PolarHBondContact O-N 3.16Å; R608-L627 HydrophobicContact CB-CD2 3.82Å; R608-L627 HydrophobicContact CG-CD2 4Å; R608-D628 IonicContact CZ-OD1 3.64Å; R608-D628 VanDerWaalsContact CZ-OD1 3.26Å; R608-D628 IonicContact NH1-OD1 3.61Å; R608-D628 PolarHBondContact NH1-OD1 2.66Å; R608-D628 IonicContact NH2-OD1 2.9Å; R608-D628 PolarHBondContact NH2-OD1 3.13Å; R608-E631 IonicContact CZ-OE1 2.83Å; R608-E631 VanDerWaalsContact CZ-OE1 3.31Å; R608-E631 IonicContact CZ-OE2 3.84Å; R608-E631 IonicContact NE-OE1 3.79Å; R608-E631 PolarHBondContact NE-OE1 3.44Å; R608-E631 IonicContact NE-OE2 2.92Å; R608-E631 IonicContact NH2-OE1 3.35Å; R608-E631 PolarHBondContact NH2-OE1 3.43Å; R608-E631 VanDerWaalsContact NH2-OE1 3.07Å; R608-E631 IonicContact NH2-OE2 2.67Å; R608-E631 PolarHBondContact NH2-OE2 2.93Å
609	K	97.8	Very high	97.8	Very high	122 Å²	122	45.2 Å²	45.2	53%	0.53	22%	0.218	S	C	.	.	H	α-helix	trans	-55.5	-47	176.6	-176.7	-176.2	176.7	-174.2	0	111.1	K605 E606 F611 E612 E613	K605-K609 WeakPolarHBondContact O-CB 3.32Å; K605-K609 PolarHBondContact O-N 3.27Å; E606-K609 WeakPolarHBondContact O-CB 3.46Å; E606-K609 PolarHBondContact O-N 2.88Å; K609-F611 PolarHBondContact O-N 3.22Å; K609-E612 PolarHBondContact O-N 3.33Å; K609-E613 WeakPolarHBondContact CE-OE1 3.43Å; K609-E613 VanDerWaalsContact CE-OE2 3.32Å; K609-E613 WeakPolarHBondContact CE-OE2 3.28Å; K609-E613 HydrophobicContact CG-CG 4.24Å; K609-E613 IonicContact NZ-OE1 2.68Å; K609-E613 VanDerWaalsContact O-CB 3.3Å; K609-E613 WeakPolarHBondContact O-CB 3.47Å; K609-E613 WeakPolarHBondContact O-CG 3.36Å; K609-E613 PolarHBondContact O-N 3.32Å
610	F	98	Very high	97.8	Very high	9 Å²	9	43.7 Å²	43.7	4%	0.039	21%	0.213	C	C	.	.	H	α-helix	trans	-55.9	-50.3	175.9	164.9	-107.3	0	0	0	111.9	I127 H493 P495 E606 V607 R608 E613 Q614	I127-F610 HydrophobicContact CD1-CE2 3.77Å; I127-F610 HydrophobicContact CG1-CE2 4.4Å; H493-F610 HydrophobicContact CB-CD2 4.19Å; H493-F610 HydrophobicContact CB-CE2 3.88Å; H493-F610 HydrophobicContact CB-CZ 4.06Å; H493-F610 AromaticContact CD2-CD2 3.55Å; H493-F610 AromaticContact CD2-CG 3.71Å; H493-F610 AromaticContact CE1-CD1 3.77Å; H493-F610 AromaticContact CE1-CG 3.62Å; H493-F610 AromaticContact CG-CD2 3.69Å; H493-F610 AromaticContact CG-CE2 3.88Å; H493-F610 AromaticContact CG-CG 3.82Å; H493-F610 AromaticContact ND1-CD1 3.72Å; H493-F610 AromaticContact ND1-CE1 3.99Å; H493-F610 AromaticContact ND1-CG 3.81Å; H493-F610 WeakPolarHBondContact NE2-CB 3.41Å; H493-F610 AromaticContact NE2-CD2 3.9Å; H493-F610 AromaticContact NE2-CG 3.57Å; P495-F610 HydrophobicContact CG-CE1 3.98Å; P495-F610 HydrophobicContact CG-CZ 3.68Å; E606-F610 PolarHBondContact O-N 3.16Å; V607-F610 WeakPolarHBondContact O-CB 3.34Å; V607-F610 PolarHBondContact O-N 3.41Å; R608-F610 VanDerWaalsContact C-N 3.3Å; R608-F610 PolarHBondContact O-N 2.78Å; F610-E613 PolarHBondContact O-N 3.32Å; F610-Q614 HydrophobicContact CD2-CB 3.89Å; F610-Q614 HydrophobicContact CD2-CG 3.64Å; F610-Q614 HydrophobicContact CE2-CB 3.62Å; F610-Q614 HydrophobicContact CE2-CG 3.61Å; F610-Q614 HydrophobicContact CZ-CB 4.3Å; F610-Q614 VanDerWaalsContact O-CB 3.24Å; F610-Q614 WeakPolarHBondContact O-CB 3.45Å; F610-Q614 PolarHBondContact O-N 2.81Å
611	F	98.3	Very high	97.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-42.2	-179.7	-73.2	-29.7	0	0	0	112.9	F471 A474 V607 R608 K609 V615 G616 L619 I623 L627	F471-F611 HydrophobicContact CD2-CE2 4.29Å; F471-F611 HydrophobicContact CE2-CE2 4.07Å; A474-F611 HydrophobicContact CB-CE1 4.12Å; A474-F611 HydrophobicContact CB-CZ 3.84Å; V607-F611 HydrophobicContact CG1-CD2 3.9Å; V607-F611 HydrophobicContact CG1-CE2 3.58Å; V607-F611 HydrophobicContact CG1-CZ 4.11Å; V607-F611 PolarHBondContact O-N 3.26Å; R608-F611 PolarHBondContact O-N 3.49Å; K609-F611 PolarHBondContact O-N 3.22Å; F611-V615 HydrophobicContact CD1-CG2 4.05Å; F611-V615 CarbonylContact O-C 3.47Å; F611-V615 WeakPolarHBondContact O-CA 3.41Å; F611-V615 WeakPolarHBondContact O-CB 3.13Å; F611-V615 PolarHBondContact O-N 3.34Å; F611-G616 PolarHBondContact O-N 2.92Å; F611-L619 HydrophobicContact CB-CD1 4.35Å; F611-L619 HydrophobicContact CB-CD2 3.96Å; F611-L619 HydrophobicContact CD1-CD1 4.08Å; F611-L619 HydrophobicContact CD2-CD1 4.35Å; F611-L619 HydrophobicContact CD2-CD2 4.28Å; F611-L619 HydrophobicContact CE1-CD1 4.47Å; F611-L619 HydrophobicContact CG-CD1 4.03Å; F611-L619 HydrophobicContact CG-CD2 4.24Å; F611-I623 HydrophobicContact CE2-CG2 4.29Å; F611-I623 HydrophobicContact CZ-CG2 4.41Å; F611-L627 HydrophobicContact CD2-CD2 4.06Å
612	E	97.7	Very high	97.9	Very high	69 Å²	69	47.2 Å²	47.2	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-65.9	-40.3	177.2	-59.2	-52.6	168.6	0	0	112.3	R608 K609 G616 R624	R608-E612 HydrophobicContact CG-CG 4.41Å; R608-E612 WeakPolarHBondContact O-CG 3.41Å; R608-E612 PolarHBondContact O-N 3.16Å; K609-E612 PolarHBondContact O-N 3.33Å; E612-G616 WeakPolarHBondContact O-CA 3.2Å; E612-G616 PolarHBondContact O-N 3.19Å; E612-R624 IonicContact OE1-CZ 3.32Å; E612-R624 IonicContact OE1-NH1 3.04Å; E612-R624 PolarHBondContact OE1-NH1 3.22Å; E612-R624 IonicContact OE1-NH2 2.8Å; E612-R624 PolarHBondContact OE1-NH2 2.76Å; E612-R624 IonicContact OE2-CZ 2.77Å; E612-R624 IonicContact OE2-NH1 3.65Å; E612-R624 PolarHBondContact OE2-NH1 2.93Å; E612-R624 IonicContact OE2-NH2 3.15Å; E612-R624 PolarHBondContact OE2-NH2 3.23Å
613	E	97.9	Very high	97.9	Very high	70 Å²	70	41.7 Å²	41.7	33%	0.327	21%	0.212	S	C	.	.	H	α-helix	trans	-78.6	-40.7	-176.5	-73.3	-177.4	172.9	0	0	112.9	C120 A121 V124 K609 F610	C120-E613 CarbonylContact C-O 3.55Å; C120-E613 WeakPolarHBondContact CA-O 3.32Å; C120-E613 VanDerWaalsContact CB-O 3.29Å; C120-E613 WeakPolarHBondContact CB-O 3.37Å; A121-E613 HydrophobicContact CB-CG 4.48Å; A121-E613 PolarHBondContact N-O 2.85Å; V124-E613 HydrophobicContact CG1-CB 4.37Å; V124-E613 HydrophobicContact CG2-CB 4.2Å; V124-E613 HydrophobicContact CG2-CG 4.39Å; K609-E613 WeakPolarHBondContact CE-OE1 3.43Å; K609-E613 VanDerWaalsContact CE-OE2 3.32Å; K609-E613 WeakPolarHBondContact CE-OE2 3.28Å; K609-E613 HydrophobicContact CG-CG 4.24Å; K609-E613 IonicContact NZ-OE1 2.68Å; K609-E613 VanDerWaalsContact O-CB 3.3Å; K609-E613 WeakPolarHBondContact O-CB 3.47Å; K609-E613 WeakPolarHBondContact O-CG 3.36Å; K609-E613 PolarHBondContact O-N 3.32Å; F610-E613 PolarHBondContact O-N 3.32Å
614	Q	98.1	Very high	98	Very high	19 Å²	19	44.4 Å²	44.4	9%	0.089	22%	0.221	C	C	.	.	H	α-helix	trans	-97.9	-25.7	-172.8	-68.7	-74	-29	0	0	113.4	T118 C120 T125 I127 F610	T118-Q614 VanDerWaalsContact CB-O 3.28Å; T118-Q614 WeakPolarHBondContact CB-O 3.44Å; T118-Q614 PolarHBondContact OG1-O 2.86Å; C120-Q614 PolarHBondContact SG-O 2.8Å; T125-Q614 PolarHBondContact O-NE2 2.75Å; T125-Q614 PolarHBondContact O-OE1 2.76Å; I127-Q614 HydrophobicContact CG1-CG 4.45Å; F610-Q614 HydrophobicContact CD2-CB 3.89Å; F610-Q614 HydrophobicContact CD2-CG 3.64Å; F610-Q614 HydrophobicContact CE2-CB 3.62Å; F610-Q614 HydrophobicContact CE2-CG 3.61Å; F610-Q614 HydrophobicContact CZ-CB 4.3Å; F610-Q614 VanDerWaalsContact O-CB 3.24Å; F610-Q614 WeakPolarHBondContact O-CB 3.45Å; F610-Q614 PolarHBondContact O-N 2.81Å
615	V	98.2	Very high	98.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-40.9	-177.9	-164.3	0	0	0	0	111.2	T118 F506 F611 D618 L619	T118-V615 HydrophobicContact CG2-CG1 4.06Å; F506-V615 HydrophobicContact CD1-CG2 3.94Å; F506-V615 HydrophobicContact CE1-CG2 4.22Å; F611-V615 HydrophobicContact CD1-CG2 4.05Å; F611-V615 CarbonylContact O-C 3.47Å; F611-V615 WeakPolarHBondContact O-CA 3.41Å; F611-V615 WeakPolarHBondContact O-CB 3.13Å; F611-V615 PolarHBondContact O-N 3.34Å; V615-D618 HydrophobicContact CG1-CB 4.18Å; V615-D618 PolarHBondContact O-N 2.98Å; V615-L619 HydrophobicContact CB-CB 4.25Å; V615-L619 HydrophobicContact CB-CD1 4.35Å; V615-L619 HydrophobicContact CG1-CB 3.83Å; V615-L619 HydrophobicContact CG1-CD1 4.09Å
616	G	97.2	Very high	98.1	Very high	7 Å²	7	42.2 Å²	42.2	7%	0.072	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	57.1	-127.4	175.7	0	0	0	0	0	112.2	F611 E612 D618 L619	F611-G616 PolarHBondContact O-N 2.92Å; E612-G616 WeakPolarHBondContact O-CA 3.2Å; E612-G616 PolarHBondContact O-N 3.19Å; G616-D618 PolarHBondContact O-N 3.46Å; G616-L619 WeakPolarHBondContact O-CB 3.46Å; G616-L619 PolarHBondContact O-N 3.33Å
617	P	97.7	Very high	98.2	Very high	104 Å²	104	38.8 Å²	38.8	68%	0.675	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-70.2	-15.4	-178	30.9	-36.4	0	0	0	113.8	H119 L619	H119-P617 HydrophobicContact CB-CG 3.68Å; P617-L619 PolarHBondContact O-N 2.91Å
618	D	98.3	Very high	98.2	Very high	35 Å²	35	42 Å²	42	19%	0.187	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-77.3	-8.7	177.7	-63.8	-46.3	0	0	0	112.7	T118 H119 N505 G507 V615 G616 P620	T118-D618 WeakPolarHBondContact CA-OD2 3.22Å; T118-D618 HydrophobicContact CG2-CB 4.2Å; H119-D618 IonicContact CE1-OD1 3.79Å; H119-D618 IonicContact CE1-OD2 2.9Å; H119-D618 IonicContact CG-OD2 2.74Å; H119-D618 PolarHBondContact N-OD2 3.15Å; H119-D618 VanDerWaalsContact ND1-CG 3.3Å; H119-D618 IonicContact ND1-OD1 3.79Å; H119-D618 PolarHBondContact ND1-OD1 2.86Å; H119-D618 IonicContact ND1-OD2 2.87Å; H119-D618 PolarHBondContact ND1-OD2 2.83Å; N505-D618 PolarHBondContact ND2-OD2 3.08Å; G507-D618 WeakPolarHBondContact CA-O 3.2Å; V615-D618 HydrophobicContact CG1-CB 4.18Å; V615-D618 PolarHBondContact O-N 2.98Å; G616-D618 PolarHBondContact O-N 3.46Å; D618-P620 WeakPolarHBondContact O-CD 3.47Å
619	L	98.6	Very high	98.2	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.058	23%	0.228	C	C	.	.	S	Bend	trans	-67.5	121	-179.4	-174.5	72.8	0	0	0	109.5	L510 F611 V615 G616 P617 S621 I623 R624	L510-L619 HydrophobicContact CD1-CD1 4.34Å; F611-L619 HydrophobicContact CB-CD1 4.35Å; F611-L619 HydrophobicContact CB-CD2 3.96Å; F611-L619 HydrophobicContact CD1-CD1 4.08Å; F611-L619 HydrophobicContact CD2-CD1 4.35Å; F611-L619 HydrophobicContact CD2-CD2 4.28Å; F611-L619 HydrophobicContact CE1-CD1 4.47Å; F611-L619 HydrophobicContact CG-CD1 4.03Å; F611-L619 HydrophobicContact CG-CD2 4.24Å; V615-L619 HydrophobicContact CB-CB 4.25Å; V615-L619 HydrophobicContact CB-CD1 4.35Å; V615-L619 HydrophobicContact CG1-CB 3.83Å; V615-L619 HydrophobicContact CG1-CD1 4.09Å; G616-L619 WeakPolarHBondContact O-CB 3.46Å; G616-L619 PolarHBondContact O-N 3.33Å; P617-L619 PolarHBondContact O-N 2.91Å; L619-S621 PolarHBondContact O-N 3.01Å; L619-I623 HydrophobicContact CD1-CB 4.22Å; L619-I623 HydrophobicContact CD1-CG2 3.83Å; L619-I623 HydrophobicContact CG-CB 4.48Å; L619-I623 HydrophobicContact CG-CG2 4.47Å; L619-R624 HydrophobicContact CD2-CB 3.97Å; L619-R624 HydrophobicContact CD2-CG 4.47Å
620	P	98.6	Very high	98.2	Very high	7 Å²	7	35.8 Å²	35.8	5%	0.045	21%	0.205	C	C	.	.			trans	-55.1	138.1	176.7	-27.2	36.1	0	0	0	111.7	L510 Q511 I514 D618 E622 I623 R624	L510-P620 HydrophobicContact CB-CG 3.84Å; Q511-P620 HydrophobicContact CB-CG 4.16Å; I514-P620 HydrophobicContact CD1-CB 3.99Å; I514-P620 HydrophobicContact CD1-CG 4.46Å; D618-P620 WeakPolarHBondContact O-CD 3.47Å; P620-E622 PolarHBondContact O-N 2.76Å; P620-E622 VanDerWaalsContact O-N 3.16Å; P620-I623 HydrophobicContact CB-CB 4.49Å; P620-I623 HydrophobicContact CB-CG1 4.02Å; P620-I623 HydrophobicContact CG-CG1 4.24Å; P620-I623 PolarHBondContact O-N 2.92Å; P620-R624 PolarHBondContact O-N 2.61Å; P620-R624 VanDerWaalsContact O-N 3.12Å
621	S	98.4	Very high	98.2	Very high	86 Å²	86	36.4 Å²	36.4	60%	0.601	21%	0.208	S	C	*	.	H	α-helix	trans	-57.3	-33.3	-178.2	63.2	0	0	0	0	112.5	L619 R624 A625	L619-S621 PolarHBondContact O-N 3.01Å; S621-R624 WeakPolarHBondContact O-CB 3.35Å; S621-R624 PolarHBondContact O-N 3.41Å; S621-A625 PolarHBondContact O-N 3.5Å
622	E	98.5	Very high	98.2	Very high	56 Å²	56	41.8 Å²	41.8	26%	0.262	23%	0.233	S	C	.	.	H	α-helix	trans	-66.7	-38.1	178.4	-57.4	94.9	125	0	0	111.7	L467 I514 P620 A625 E626	L467-E622 HydrophobicContact CD1-CB 3.6Å; L467-E622 HydrophobicContact CD2-CB 3.86Å; L467-E622 HydrophobicContact CG-CB 4.35Å; I514-E622 HydrophobicContact CD1-CB 4.07Å; P620-E622 PolarHBondContact O-N 2.76Å; P620-E622 VanDerWaalsContact O-N 3.16Å; E622-A625 PolarHBondContact O-N 2.74Å; E622-E626 PolarHBondContact O-N 2.81Å; E622-E626 VanDerWaalsContact O-N 3.14Å
623	I	98.7	Very high	98.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-72.4	-37.8	176.6	-59.2	-61.9	0	0	0	110.7	L467 I470 F471 L510 I514 F611 L619 P620 A625 E626 L627	L467-I623 HydrophobicContact CD1-CD1 4.02Å; I470-I623 HydrophobicContact CB-CD1 4.09Å; I470-I623 HydrophobicContact CG2-CD1 3.65Å; F471-I623 HydrophobicContact CB-CD1 4.18Å; F471-I623 HydrophobicContact CD2-CG2 4.11Å; L510-I623 HydrophobicContact CD1-CG1 4.44Å; I514-I623 HydrophobicContact CD1-CD1 4.34Å; I514-I623 HydrophobicContact CD1-CG1 4.25Å; F611-I623 HydrophobicContact CE2-CG2 4.29Å; F611-I623 HydrophobicContact CZ-CG2 4.41Å; L619-I623 HydrophobicContact CD1-CB 4.22Å; L619-I623 HydrophobicContact CD1-CG2 3.83Å; L619-I623 HydrophobicContact CG-CB 4.48Å; L619-I623 HydrophobicContact CG-CG2 4.47Å; P620-I623 HydrophobicContact CB-CB 4.49Å; P620-I623 HydrophobicContact CB-CG1 4.02Å; P620-I623 HydrophobicContact CG-CG1 4.24Å; P620-I623 PolarHBondContact O-N 2.92Å; I623-A625 VanDerWaalsContact C-N 3.32Å; I623-A625 PolarHBondContact O-N 2.87Å; I623-E626 PolarHBondContact O-N 3.21Å; I623-L627 PolarHBondContact O-N 3.39Å; I623-L627 VanDerWaalsContact O-N 3.1Å
624	R	98.3	Very high	98.2	Very high	72 Å²	72	38.4 Å²	38.4	27%	0.272	21%	0.214	S	C	.	.	H	α-helix	trans	-60.5	-42.9	173.3	-172.8	175.6	-73.3	-86.6	-3	111.4	E612 L619 P620 S621 L627 D628	E612-R624 IonicContact OE1-CZ 3.32Å; E612-R624 IonicContact OE1-NH1 3.04Å; E612-R624 PolarHBondContact OE1-NH1 3.22Å; E612-R624 IonicContact OE1-NH2 2.8Å; E612-R624 PolarHBondContact OE1-NH2 2.76Å; E612-R624 IonicContact OE2-CZ 2.77Å; E612-R624 IonicContact OE2-NH1 3.65Å; E612-R624 PolarHBondContact OE2-NH1 2.93Å; E612-R624 IonicContact OE2-NH2 3.15Å; E612-R624 PolarHBondContact OE2-NH2 3.23Å; L619-R624 HydrophobicContact CD2-CB 3.97Å; L619-R624 HydrophobicContact CD2-CG 4.47Å; P620-R624 PolarHBondContact O-N 2.61Å; P620-R624 VanDerWaalsContact O-N 3.12Å; S621-R624 WeakPolarHBondContact O-CB 3.35Å; S621-R624 PolarHBondContact O-N 3.41Å; R624-L627 WeakPolarHBondContact O-CB 3.26Å; R624-L627 PolarHBondContact O-N 3.42Å; R624-D628 PolarHBondContact O-N 2.81Å
625	A	98.5	Very high	98.1	Very high	57 Å²	57	42.1 Å²	42.1	47%	0.471	23%	0.23	S	C	.	.	H	α-helix	trans	-64.1	-39.1	176.6	0	0	0	0	0	112.9	S621 E622 I623 D628 A629	S621-A625 PolarHBondContact O-N 3.5Å; E622-A625 PolarHBondContact O-N 2.74Å; I623-A625 VanDerWaalsContact C-N 3.32Å; I623-A625 PolarHBondContact O-N 2.87Å; A625-D628 PolarHBondContact O-N 3.18Å; A625-A629 WeakPolarHBondContact O-CB 3.37Å; A625-A629 PolarHBondContact O-N 2.89Å
626	E	98.6	Very high	98	Very high	31 Å²	31	46.8 Å²	46.8	15%	0.145	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-38.8	174.7	-72.6	-64.1	168.6	0	0	112.6	L467 H468 F471 E622 I623 A629 Q630	L467-E626 HydrophobicContact CD2-CG 4.12Å; L467-E626 HydrophobicContact CG-CG 3.85Å; H468-E626 IonicContact CD2-OE2 2.67Å; H468-E626 PolarHBondContact CD2-OE2 3.37Å; H468-E626 VanDerWaalsContact CD2-OE2 3.31Å; H468-E626 IonicContact CG-OE2 3.2Å; F471-E626 HydrophobicContact CB-CB 3.69Å; F471-E626 HydrophobicContact CB-CG 4.12Å; F471-E626 HydrophobicContact CD1-CB 4.02Å; F471-E626 HydrophobicContact CD2-CB 3.95Å; F471-E626 HydrophobicContact CG-CB 3.6Å; E622-E626 PolarHBondContact O-N 2.81Å; E622-E626 VanDerWaalsContact O-N 3.14Å; I623-E626 PolarHBondContact O-N 3.21Å; E626-A629 PolarHBondContact O-N 2.99Å; E626-Q630 WeakPolarHBondContact O-CB 3.36Å; E626-Q630 PolarHBondContact O-N 2.92Å
627	L	98.2	Very high	97.8	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-50.2	172.8	174.9	62	0	0	0	111.3	F471 V607 R608 F611 I623 R624 A629 Q630 E631	F471-L627 HydrophobicContact CD2-CB 4.43Å; F471-L627 HydrophobicContact CE2-CB 3.69Å; F471-L627 HydrophobicContact CE2-CD1 4.09Å; F471-L627 HydrophobicContact CE2-CG 4.49Å; F471-L627 HydrophobicContact CZ-CB 4.33Å; F471-L627 HydrophobicContact CZ-CD1 4.22Å; V607-L627 HydrophobicContact CG1-CD1 3.99Å; R608-L627 HydrophobicContact CB-CD2 3.82Å; R608-L627 HydrophobicContact CG-CD2 4Å; F611-L627 HydrophobicContact CD2-CD2 4.06Å; I623-L627 PolarHBondContact O-N 3.39Å; I623-L627 VanDerWaalsContact O-N 3.1Å; R624-L627 WeakPolarHBondContact O-CB 3.26Å; R624-L627 PolarHBondContact O-N 3.42Å; L627-A629 VanDerWaalsContact C-N 3.3Å; L627-A629 PolarHBondContact O-N 3.26Å; L627-Q630 PolarHBondContact O-N 2.79Å; L627-E631 PolarHBondContact O-N 3.3Å
628	D	98.3	Very high	97.8	Very high	69 Å²	69	48.7 Å²	48.7	37%	0.369	26%	0.264	S	S	.	.	H	α-helix	trans	-59.5	-43.4	179	-65.7	-20.4	0	0	0	110.9	R608 R624 A625 E631 Q632	R608-D628 IonicContact CZ-OD1 3.64Å; R608-D628 VanDerWaalsContact CZ-OD1 3.26Å; R608-D628 IonicContact NH1-OD1 3.61Å; R608-D628 PolarHBondContact NH1-OD1 2.66Å; R608-D628 IonicContact NH2-OD1 2.9Å; R608-D628 PolarHBondContact NH2-OD1 3.13Å; R624-D628 PolarHBondContact O-N 2.81Å; A625-D628 PolarHBondContact O-N 3.18Å; D628-E631 PolarHBondContact O-N 3.26Å; D628-Q632 WeakPolarHBondContact O-CG 3.28Å; D628-Q632 PolarHBondContact O-N 2.78Å; D628-Q632 VanDerWaalsContact O-N 3.1Å
629	A	98.3	Very high	97.7	Very high	38 Å²	38	49.4 Å²	49.4	31%	0.314	27%	0.268	S	S	.	.	H	α-helix	trans	-64.7	-42.1	178	0	0	0	0	0	112.3	A625 E626 L627 Q632 R633	A625-A629 WeakPolarHBondContact O-CB 3.37Å; A625-A629 PolarHBondContact O-N 2.89Å; E626-A629 PolarHBondContact O-N 2.99Å; L627-A629 VanDerWaalsContact C-N 3.3Å; L627-A629 PolarHBondContact O-N 3.26Å; A629-Q632 PolarHBondContact O-N 3.37Å; A629-R633 WeakPolarHBondContact O-CG 3.42Å; A629-R633 PolarHBondContact O-N 2.88Å
630	Q	98.3	Very high	97.7	Very high	10 Å²	10	51.5 Å²	51.5	5%	0.047	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-44.3	176.1	-173.7	176.9	-92.2	0	0	111.5	F471 E626 L627 Q632 R633 I634	F471-Q630 HydrophobicContact CE1-CB 4.21Å; F471-Q630 HydrophobicContact CZ-CB 4.28Å; E626-Q630 WeakPolarHBondContact O-CB 3.36Å; E626-Q630 PolarHBondContact O-N 2.92Å; L627-Q630 PolarHBondContact O-N 2.79Å; Q630-Q632 VanDerWaalsContact C-N 3.29Å; Q630-Q632 PolarHBondContact O-N 3.35Å; Q630-R633 PolarHBondContact O-N 2.82Å; Q630-I634 HydrophobicContact CG-CD1 3.7Å; Q630-I634 HydrophobicContact CG-CG1 4.35Å; Q630-I634 WeakPolarHBondContact O-CG1 3.26Å; Q630-I634 PolarHBondContact O-N 3.04Å
631	E	97.5	Very high	97.6	Very high	22 Å²	22	54.1 Å²	54.1	10%	0.103	29%	0.293	C	S	.	.	H	α-helix	trans	-58.2	-41.6	176.4	-83.3	-172.7	-173.8	0	0	112.4	R608 L627 D628 I634 K635	R608-E631 IonicContact CZ-OE1 2.83Å; R608-E631 VanDerWaalsContact CZ-OE1 3.31Å; R608-E631 IonicContact CZ-OE2 3.84Å; R608-E631 IonicContact NE-OE1 3.79Å; R608-E631 PolarHBondContact NE-OE1 3.44Å; R608-E631 IonicContact NE-OE2 2.92Å; R608-E631 IonicContact NH2-OE1 3.35Å; R608-E631 PolarHBondContact NH2-OE1 3.43Å; R608-E631 VanDerWaalsContact NH2-OE1 3.07Å; R608-E631 IonicContact NH2-OE2 2.67Å; R608-E631 PolarHBondContact NH2-OE2 2.93Å; L627-E631 PolarHBondContact O-N 3.3Å; D628-E631 PolarHBondContact O-N 3.26Å; E631-I634 PolarHBondContact O-N 2.99Å; E631-K635 WeakPolarHBondContact O-CB 3.13Å; E631-K635 VanDerWaalsContact O-CG 3.27Å; E631-K635 WeakPolarHBondContact O-CG 3.42Å; E631-K635 PolarHBondContact O-N 3.14Å; E631-K635 IonicContact OE2-NZ 3.67Å
632	Q	97.9	Very high	97.6	Very high	113 Å²	113	52.1 Å²	52.1	53%	0.528	27%	0.274	S	S	.	.	H	α-helix	trans	-65.6	-40.9	176.9	-66.1	-58	-13.6	0	0	112.1	D628 A629 Q630 I634 K635 S636	D628-Q632 WeakPolarHBondContact O-CG 3.28Å; D628-Q632 PolarHBondContact O-N 2.78Å; D628-Q632 VanDerWaalsContact O-N 3.1Å; A629-Q632 PolarHBondContact O-N 3.37Å; Q630-Q632 VanDerWaalsContact C-N 3.29Å; Q630-Q632 PolarHBondContact O-N 3.35Å; Q632-I634 VanDerWaalsContact C-N 3.34Å; Q632-I634 PolarHBondContact O-N 3.18Å; Q632-K635 PolarHBondContact O-N 3.49Å; Q632-S636 WeakPolarHBondContact O-CB 3.47Å; Q632-S636 PolarHBondContact O-N 3.42Å; Q632-S636 VanDerWaalsContact O-N 3.09Å; Q632-S636 PolarHBondContact O-OG 2.89Å
633	R	98.1	Very high	97.5	Very high	68 Å²	68	51.9 Å²	51.9	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-61.4	-41.5	174.5	-68.7	-174.3	-61.5	-95.7	8.3	111.9	H468 P569 A629 Q630 S636 M637	H468-R633 PolarHBondContact NE2-NH2 3.38Å; P569-R633 HydrophobicContact CB-CB 3.87Å; P569-R633 PolarHBondContact O-NE 3.45Å; A629-R633 WeakPolarHBondContact O-CG 3.42Å; A629-R633 PolarHBondContact O-N 2.88Å; Q630-R633 PolarHBondContact O-N 2.82Å; R633-S636 PolarHBondContact O-N 3.35Å; R633-M637 PolarHBondContact O-N 3.24Å
634	I	97.5	Very high	97.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-69.2	-42.4	178.9	-67	161.7	0	0	0	111.3	P569 K597 W600 L601 S604 Q630 E631 Q632 S636 M637	P569-I634 HydrophobicContact CB-CG1 3.93Å; K597-I634 WeakPolarHBondContact CE-O 3.45Å; W600-I634 HydrophobicContact CB-CD1 3.87Å; W600-I634 HydrophobicContact CB-CG1 4.11Å; W600-I634 HydrophobicContact CB-CG2 3.75Å; W600-I634 HydrophobicContact CE3-CD1 4.23Å; L601-I634 HydrophobicContact CD2-CG2 3.79Å; L601-I634 HydrophobicContact CG-CG2 3.88Å; S604-I634 WeakPolarHBondContact OG-CD1 3.48Å; Q630-I634 HydrophobicContact CG-CD1 3.7Å; Q630-I634 HydrophobicContact CG-CG1 4.35Å; Q630-I634 WeakPolarHBondContact O-CG1 3.26Å; Q630-I634 PolarHBondContact O-N 3.04Å; E631-I634 PolarHBondContact O-N 2.99Å; Q632-I634 VanDerWaalsContact C-N 3.34Å; Q632-I634 PolarHBondContact O-N 3.18Å; I634-S636 PolarHBondContact O-N 3.41Å; I634-M637 HydrophobicContact CB-SD 4.46Å; I634-M637 HydrophobicContact CG2-SD 4.16Å; I634-M637 WeakPolarHBondContact O-CB 3.27Å; I634-M637 VanDerWaalsContact O-CG 3.28Å; I634-M637 WeakPolarHBondContact O-CG 3.36Å; I634-M637 PolarHBondContact O-N 3.18Å
635	K	96.9	Very high	97.4	Very high	97 Å²	97	54.3 Å²	54.3	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-59.9	-32.9	175.8	-75.2	167.4	-176.4	162.9	0	112	K597 L601 E631 Q632	K597-K635 WeakPolarHBondContact CE-O 3.39Å; K597-K635 PolarHBondContact NZ-O 3.37Å; L601-K635 HydrophobicContact CD2-CG 3.87Å; E631-K635 WeakPolarHBondContact O-CB 3.13Å; E631-K635 VanDerWaalsContact O-CG 3.27Å; E631-K635 WeakPolarHBondContact O-CG 3.42Å; E631-K635 PolarHBondContact O-N 3.14Å; E631-K635 IonicContact OE2-NZ 3.67Å; Q632-K635 PolarHBondContact O-N 3.49Å
636	S	96	Very high	97.3	Very high	99 Å²	99	54.1 Å²	54.1	69%	0.692	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.4	-178.6	-51.6	0	0	0	0	115	Q632 R633 I634	Q632-S636 WeakPolarHBondContact O-CB 3.47Å; Q632-S636 PolarHBondContact O-N 3.42Å; Q632-S636 VanDerWaalsContact O-N 3.09Å; Q632-S636 PolarHBondContact O-OG 2.89Å; R633-S636 PolarHBondContact O-N 3.35Å; I634-S636 PolarHBondContact O-N 3.41Å
637	M	92.1	Very high	97.2	Very high	101 Å²	101	56.2 Å²	56.2	50%	0.498	29%	0.294	S	S	.	.			trans	-62.6	0	169	-64.1	176.5	74	0	0	111.3	P569 L595 K597 R633 I634	P569-M637 HydrophobicContact CB-CG 4.28Å; P569-M637 HydrophobicContact CB-SD 4.25Å; P569-M637 HydrophobicContact CG-CE 4.16Å; P569-M637 HydrophobicContact CG-CG 3.34Å; P569-M637 HydrophobicContact CG-SD 3.62Å; L595-M637 HydrophobicContact CB-CE 4.01Å; L595-M637 WeakPolarHBondContact O-CE 3.37Å; K597-M637 HydrophobicContact CB-SD 4.41Å; K597-M637 HydrophobicContact CD-CB 4.09Å; K597-M637 WeakPolarHBondContact CE-OXT 3.3Å; K597-M637 HydrophobicContact CG-CB 4.31Å; K597-M637 HydrophobicContact CG-SD 4.41Å; K597-M637 PolarHBondContact NZ-OXT 2.84Å; R633-M637 PolarHBondContact O-N 3.24Å; I634-M637 HydrophobicContact CB-SD 4.46Å; I634-M637 HydrophobicContact CG2-SD 4.16Å; I634-M637 WeakPolarHBondContact O-CB 3.27Å; I634-M637 VanDerWaalsContact O-CG 3.28Å; I634-M637 WeakPolarHBondContact O-CG 3.36Å; I634-M637 PolarHBondContact O-N 3.18Å

Retrieved 637 of 637 residues in 511.1 ms (Link to these results)

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