A0A096MT53_PAPAN Loading...

CTP synthase

Catalyzes the ATP-dependent amination of UTP to CTP with either L-glutamine or ammonia as the source of nitrogen.

AlphaFold DB , UniProt , Accession A0A096MT53, Species PAPAN (Papio anubis, Olive baboon), Gene CTPS1, Length 598 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	31.3	Very low	66.3	Low	230 Å²	230	96.4 Å²	96.4	100%	1.133	50%	0.496	S	S	*	.				0	126.8	0	-74.7	178.6	169.7	0	0	107.7	K3	M1-K3 PolarHBondContact O-N 3.24Å
2	P	30.5	Very low	69	Low	128 Å²	128	88.3 Å²	88.3	83%	0.831	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-62.2	126	172.2	25.9	-29.5	0	0	0	107.9	S4	P2-S4 PolarHBondContact O-N 3.39Å; P2-S4 VanDerWaalsContact O-N 3.13Å
3	K	36.8	Very low	71.2	Confident	213 Å²	213	81.5 Å²	81.5	93%	0.926	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-53.6	121.2	174.4	-74.7	-178.4	176.2	-178.4	0	107.3	M1 K5	M1-K3 PolarHBondContact O-N 3.24Å; K3-K5 PolarHBondContact O-N 3.14Å
4	S	42.7	Very low	73.1	Confident	115 Å²	115	75.7 Å²	75.7	80%	0.804	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-48.6	126.4	171.7	178.7	0	0	0	0	108.7	P2 S6	P2-S4 PolarHBondContact O-N 3.39Å; P2-S4 VanDerWaalsContact O-N 3.13Å; S4-S6 PolarHBondContact O-N 2.94Å
5	K	50.4	Low	74.5	Confident	156 Å²	156	70.8 Å²	70.8	68%	0.678	37%	0.365	S	S	*	.			trans	-60.7	110.5	178.4	-156.4	-177.6	-174.8	-155.5	0	107.1	K3 K7 E146	K3-K5 PolarHBondContact O-N 3.14Å; K5-K7 PolarHBondContact O-N 2.75Å; K5-E146 WeakPolarHBondContact CE-OE2 2.98Å; K5-E146 IonicContact NZ-OE1 3.17Å; K5-E146 IonicContact NZ-OE2 3.71Å; K5-E146 PolarHBondContact NZ-OE2 2.96Å
6	S	61.8	Low	75.1	Confident	50 Å²	50	66.7 Å²	66.7	35%	0.35	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-55.2	122.4	-179.6	177.4	0	0	0	0	109	S4	S4-S6 PolarHBondContact O-N 2.94Å
7	K	85.1	Confident	75.8	Confident	127 Å²	127	66 Å²	66	55%	0.552	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-72	138.4	176.4	-82.1	179.7	176	174.3	0	110.4	K5 K9	K5-K7 PolarHBondContact O-N 2.75Å; K7-K9 WeakPolarHBondContact O-CE 3.49Å; K7-K9 PolarHBondContact O-N 3.29Å
8	M	95.4	Very high	76.6	Confident	16 Å²	16	66.6 Å²	66.6	8%	0.079	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-53.3	132.4	172.2	-177	62	65.9	0	0	111.2	Y10 A136 L137 P147 C150	M8-Y10 HydrophobicContact CB-CE2 4.11Å; M8-Y10 HydrophobicContact CG-CD1 4.38Å; M8-Y10 HydrophobicContact CG-CD2 4.32Å; M8-Y10 HydrophobicContact CG-CE1 3.79Å; M8-Y10 HydrophobicContact CG-CE2 3.68Å; M8-A136 HydrophobicContact CE-CB 4.09Å; M8-A136 WeakPolarHBondContact CE-O 3.42Å; M8-A136 HydrophobicContact CG-CB 4.25Å; M8-A136 HydrophobicContact SD-CB 4.27Å; M8-L137 HydrophobicContact CE-CD2 3.93Å; M8-P147 HydrophobicContact CE-CB 4.14Å; M8-P147 WeakPolarHBondContact CE-O 3.32Å; M8-C150 HydrophobicContact SD-CB 4.01Å
9	K	97.8	Very high	77	Confident	14 Å²	14	67.8 Å²	67.8	6%	0.061	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	141.7	173.1	-50.2	-61.3	-179.5	158	0	109.8	K7 Q148 V149 C150 E180 N181 L277 L279	K7-K9 WeakPolarHBondContact O-CE 3.49Å; K7-K9 PolarHBondContact O-N 3.29Å; K9-Q148 PolarHBondContact N-O 3.46Å; K9-V149 HydrophobicContact CB-CG2 4.32Å; K9-V149 CarbonylContact O-C 3.53Å; K9-V149 WeakPolarHBondContact O-CA 3.42Å; K9-C150 PolarHBondContact O-N 3.08Å; K9-E180 PolarHBondContact NZ-O 3.39Å; K9-N181 HydrophobicContact CD-CB 4.18Å; K9-N181 WeakPolarHBondContact CD-OD1 3.37Å; K9-N181 WeakPolarHBondContact CE-OD1 3.32Å; K9-N181 PolarHBondContact NZ-OD1 2.57Å; K9-L277 HydrophobicContact CB-CD1 4.38Å; K9-L277 WeakPolarHBondContact CE-O 3.35Å; K9-L277 PolarHBondContact NZ-O 3.08Å; K9-L279 HydrophobicContact CB-CD2 4.35Å; K9-L279 HydrophobicContact CG-CD2 3.65Å
10	Y	98.5	Very high	77.3	Confident	11 Å²	11	67.7 Å²	67.7	4%	0.043	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.3	-178.2	-60.4	-85.4	0	0	0	110.3	M8 V132 A136 C150 I152 F173 V177 N181 F182 C183	M8-Y10 HydrophobicContact CB-CE2 4.11Å; M8-Y10 HydrophobicContact CG-CD1 4.38Å; M8-Y10 HydrophobicContact CG-CD2 4.32Å; M8-Y10 HydrophobicContact CG-CE1 3.79Å; M8-Y10 HydrophobicContact CG-CE2 3.68Å; Y10-V132 HydrophobicContact CD1-CG1 4.21Å; Y10-V132 HydrophobicContact CE1-CG1 3.94Å; Y10-A136 HydrophobicContact CE1-CB 3.69Å; Y10-C150 WeakPolarHBondContact CA-O 3.25Å; Y10-C150 HydrophobicContact CD1-CB 3.78Å; Y10-C150 HydrophobicContact CE1-CB 4.06Å; Y10-I152 HydrophobicContact CD1-CD1 3.92Å; Y10-F173 HydrophobicContact CD1-CE1 4.01Å; Y10-F173 HydrophobicContact CD1-CZ 4.17Å; Y10-F173 AromaticContact CD2-CE1 3.78Å; Y10-F173 HydrophobicContact CD2-CE1 3.78Å; Y10-F173 AromaticContact CD2-CZ 3.99Å; Y10-F173 HydrophobicContact CD2-CZ 3.99Å; Y10-F173 HydrophobicContact CE1-CE1 4.28Å; Y10-F173 AromaticContact CE1-CZ 3.96Å; Y10-F173 HydrophobicContact CE1-CZ 3.96Å; Y10-F173 HydrophobicContact CE2-CE1 4.09Å; Y10-F173 AromaticContact CE2-CZ 3.8Å; Y10-F173 HydrophobicContact CE2-CZ 3.8Å; Y10-F173 AromaticContact CG-CE1 3.73Å; Y10-F173 HydrophobicContact CG-CE1 3.73Å; Y10-F173 HydrophobicContact CG-CZ 4.17Å; Y10-F173 AromaticContact CZ-CZ 3.77Å; Y10-V177 HydrophobicContact CD2-CB 4.41Å; Y10-V177 HydrophobicContact CD2-CG1 4.18Å; Y10-V177 HydrophobicContact CD2-CG2 4.32Å; Y10-V177 HydrophobicContact CE2-CB 4.41Å; Y10-V177 HydrophobicContact CE2-CG1 3.86Å; Y10-N181 PolarHBondContact N-O 2.98Å; Y10-F182 CarbonylContact O-C 3.57Å; Y10-F182 WeakPolarHBondContact O-CA 3.37Å; Y10-C183 PolarHBondContact O-N 2.76Å
11	I	98.6	Very high	77.7	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	102.1	174.7	-58	178.8	0	0	0	107.6	V13 V30 L34 V149 C150 I152 C183 I185 F273 L277	I11-V13 HydrophobicContact CG2-CG2 4.45Å; I11-V30 HydrophobicContact CD1-CG1 3.87Å; I11-V30 HydrophobicContact CG2-CG1 4.47Å; I11-L34 HydrophobicContact CD1-CD1 3.58Å; I11-V149 HydrophobicContact CD1-CG1 3.84Å; I11-V149 HydrophobicContact CG1-CG1 4.08Å; I11-C150 PolarHBondContact N-O 3.11Å; I11-I152 PolarHBondContact O-N 2.92Å; I11-C183 CarbonylContact C-O 3.58Å; I11-C183 WeakPolarHBondContact CA-O 3.49Å; I11-C183 HydrophobicContact CG1-CB 4.33Å; I11-I185 HydrophobicContact CG2-CD1 3.57Å; I11-I185 HydrophobicContact CG2-CG1 3.9Å; I11-F273 HydrophobicContact CD1-CD1 4.31Å; I11-F273 HydrophobicContact CD1-CE1 4.05Å; I11-F273 HydrophobicContact CD1-CE2 4.47Å; I11-F273 HydrophobicContact CD1-CZ 4.14Å; I11-L277 HydrophobicContact CD1-CD1 4.03Å; I11-L277 HydrophobicContact CG1-CD1 3.87Å
12	L	98.6	Very high	80.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	127.1	175.4	-178.9	67.7	0	0	0	109.8	T14 I152 L154 F170 F182 C183 N184 I185 L216	L12-T14 HydrophobicContact CD2-CG2 3.89Å; L12-T14 HydrophobicContact CG-CG2 3.92Å; L12-I152 CarbonylContact C-O 3.6Å; L12-I152 WeakPolarHBondContact CA-O 3.43Å; L12-I152 HydrophobicContact CD1-CB 4.05Å; L12-I152 HydrophobicContact CD1-CG2 3.76Å; L12-L154 HydrophobicContact CD1-CB 4.24Å; L12-F170 HydrophobicContact CD1-CD1 4.37Å; L12-F170 HydrophobicContact CD1-CD2 3.95Å; L12-F170 HydrophobicContact CD1-CE1 4.3Å; L12-F170 HydrophobicContact CD1-CE2 3.88Å; L12-F170 HydrophobicContact CD1-CG 4.22Å; L12-F170 HydrophobicContact CD1-CZ 4.07Å; L12-F170 HydrophobicContact CD2-CB 3.83Å; L12-F170 HydrophobicContact CD2-CD1 4.27Å; L12-F170 HydrophobicContact CD2-CD2 4Å; L12-F170 HydrophobicContact CD2-CG 3.76Å; L12-F182 HydrophobicContact CB-CE2 3.96Å; L12-F182 HydrophobicContact CB-CZ 3.68Å; L12-F182 HydrophobicContact CD2-CZ 3.78Å; L12-F182 HydrophobicContact CG-CZ 4.37Å; L12-C183 PolarHBondContact N-O 3.09Å; L12-N184 CarbonylContact O-C 3.53Å; L12-N184 WeakPolarHBondContact O-CA 3.36Å; L12-N184 PolarHBondContact O-OD1 3.35Å; L12-I185 PolarHBondContact O-N 2.63Å; L12-L216 HydrophobicContact CD2-CD1 3.88Å
13	V	98.4	Very high	83.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.4	175	-172.8	0	0	0	0	108.6	I11 A27 V151 I152 L154 I185 V187	I11-V13 HydrophobicContact CG2-CG2 4.45Å; V13-A27 HydrophobicContact CB-CB 4.3Å; V13-A27 HydrophobicContact CG1-CB 4.45Å; V13-A27 HydrophobicContact CG2-CB 3.9Å; V13-V151 HydrophobicContact CG2-CG1 4.25Å; V13-I152 PolarHBondContact N-O 3.35Å; V13-L154 PolarHBondContact O-N 3.2Å; V13-I185 CarbonylContact C-O 3.53Å; V13-I185 WeakPolarHBondContact CA-O 3.37Å; V13-I185 HydrophobicContact CG1-CB 4.49Å; V13-I185 HydrophobicContact CG2-CB 4.23Å; V13-I185 HydrophobicContact CG2-CD1 4.28Å; V13-V187 HydrophobicContact CG1-CG2 3.75Å
14	T	97.5	Very high	86.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	150.4	-178.7	60.1	0	0	0	0	111.6	L12 L154 I185 H186 V187 L211	L12-T14 HydrophobicContact CD2-CG2 3.89Å; L12-T14 HydrophobicContact CG-CG2 3.92Å; T14-L154 HydrophobicContact CG2-CB 4.45Å; T14-L154 HydrophobicContact CG2-CD2 4.31Å; T14-I185 PolarHBondContact N-O 2.88Å; T14-I185 PolarHBondContact OG1-O 3.06Å; T14-H186 PolarHBondContact OG1-ND1 3.2Å; T14-V187 PolarHBondContact O-N 3.3Å; T14-L211 HydrophobicContact CG2-CD1 4.44Å
15	G	93.4	Very high	88.8	Confident	2 Å²	2	35.5 Å²	35.5	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.2	177.1	0	0	0	0	0	113.2	V158	G15-V158 WeakPolarHBondContact O-CB 3.26Å; G15-V158 WeakPolarHBondContact O-CG2 3.49Å; G15-V158 PolarHBondContact O-N 3.45Å
16	G	84.7	Confident	91	Very high	5 Å²	5	28.4 Å²	28.4	5%	0.052	18%	0.178	C	C	.	.			trans	-96.5	-103.9	176	0	0	0	0	0	113.8	I18 T157 V187 S207	G16-I18 PolarHBondContact O-N 3.24Å; G16-T157 VanDerWaalsContact O-CB 3.26Å; G16-T157 WeakPolarHBondContact O-CB 3.47Å; G16-T157 VanDerWaalsContact O-CG2 3.26Å; G16-T157 WeakPolarHBondContact O-CG2 3.45Å; G16-V187 PolarHBondContact N-O 3.43Å; G16-S207 WeakPolarHBondContact CA-OG 3.33Å
17	V	86.3	Confident	92.7	Very high	55 Å²	55	26 Å²	26	33%	0.333	16%	0.161	S	C	.	.	S	Bend	trans	-73.3	-33.9	-156	-174.6	0	0	0	0	114.7	S188 L189 P203	V17-S188 WeakPolarHBondContact CG2-OG 3.45Å; V17-L189 HydrophobicContact CB-CB 4.11Å; V17-L189 HydrophobicContact CG2-CB 4.34Å; V17-P203 HydrophobicContact CB-CB 4.4Å; V17-P203 HydrophobicContact CG1-CB 3.82Å; V17-P203 HydrophobicContact CG2-CB 3.6Å
18	I	90.3	Very high	93.2	Very high	76 Å²	76	20 Å²	20	39%	0.39	14%	0.135	S	C	.	.			trans	-142.3	152.1	-176.8	59.2	166.8	0	0	0	111.1	G16 I21 T157 L189	G16-I18 PolarHBondContact O-N 3.24Å; I18-I21 HydrophobicContact CG1-CB 4.12Å; I18-I21 HydrophobicContact CG1-CD1 4.39Å; I18-I21 HydrophobicContact CG1-CG1 4.38Å; I18-T157 VanDerWaalsContact C-CG2 3.45Å; I18-L189 HydrophobicContact CD1-CD2 3.87Å; I18-L189 HydrophobicContact CG1-CD2 4.26Å
19	S	84.1	Confident	93.3	Very high	91 Å²	91	19.2 Å²	19.2	64%	0.636	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	159.6	162.1	60.7	0	0	0	0	110.3	I21	S19-I21 PolarHBondContact O-N 3.2Å; S19-I21 VanDerWaalsContact O-N 3.17Å
20	G	82.9	Confident	93.3	Very high	65 Å²	65	18.7 Å²	18.7	67%	0.67	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	10.3	-178.5	0	0	0	0	0	115.5	G22 R224	G20-G22 PolarHBondContact O-N 3.37Å; G20-R224 PolarHBondContact O-NH1 3.04Å
21	I	87.3	Confident	93.1	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	13%	0.127	C	C	.	.	S	Bend	trans	-65.4	-7.7	178.5	-157.9	167.8	0	0	0	113.9	I18 S19 K23 V187 L189 R224	I18-I21 HydrophobicContact CG1-CB 4.12Å; I18-I21 HydrophobicContact CG1-CD1 4.39Å; I18-I21 HydrophobicContact CG1-CG1 4.38Å; S19-I21 PolarHBondContact O-N 3.2Å; S19-I21 VanDerWaalsContact O-N 3.17Å; I21-K23 HydrophobicContact CG2-CG 3.9Å; I21-V187 HydrophobicContact CD1-CG1 4.33Å; I21-V187 HydrophobicContact CG1-CG1 4.32Å; I21-V187 HydrophobicContact CG2-CB 4.36Å; I21-V187 HydrophobicContact CG2-CG1 3.85Å; I21-L189 HydrophobicContact CD1-CB 3.65Å; I21-R224 HydrophobicContact CD1-CB 4.31Å; I21-R224 HydrophobicContact CG1-CB 3.96Å; I21-R224 HydrophobicContact CG1-CG 4.49Å; I21-R224 WeakPolarHBondContact O-CD 3.5Å; I21-R224 PolarHBondContact O-NH1 2.87Å
22	G	90.2	Very high	93	Very high	22 Å²	22	18.2 Å²	18.2	23%	0.227	13%	0.127	C	C	.	.			trans	92.7	31.6	179.3	0	0	0	0	0	113.6	G20 G24 I25 I26	G20-G22 PolarHBondContact O-N 3.37Å; G22-G24 PolarHBondContact O-N 3.37Å; G22-I25 PolarHBondContact O-N 2.83Å; G22-I26 WeakPolarHBondContact O-CG1 3.49Å; G22-I26 PolarHBondContact O-N 3.19Å
23	K	94.3	Very high	92.7	Very high	16 Å²	16	18.2 Å²	18.2	7%	0.07	13%	0.127	C	C	.	.	H	α-helix	trans	-52.7	-51.5	173.1	-69.7	-170	-62.2	-80.1	0	111.9	I21 I25 I26 A27 E153 L154 G156	I21-K23 HydrophobicContact CG2-CG 3.9Å; K23-I25 VanDerWaalsContact C-N 3.26Å; K23-I25 PolarHBondContact O-N 3.23Å; K23-I26 PolarHBondContact O-N 3.08Å; K23-I26 VanDerWaalsContact O-N 3.09Å; K23-A27 WeakPolarHBondContact O-CB 3.43Å; K23-A27 PolarHBondContact O-N 2.81Å; K23-E153 HydrophobicContact CB-CG 4.16Å; K23-E153 WeakPolarHBondContact CB-OE1 3.49Å; K23-E153 WeakPolarHBondContact CE-OE1 3.44Å; K23-L154 WeakPolarHBondContact CD-O 2.96Å; K23-L154 VanDerWaalsContact CE-O 3.26Å; K23-L154 WeakPolarHBondContact CE-O 3.49Å; K23-G156 PolarHBondContact NZ-O 3.13Å
24	G	94.1	Very high	92.6	Very high	3 Å²	3	18.2 Å²	18.2	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-56.1	-37.1	177.1	0	0	0	0	0	113.4	G22 S28 E153	G22-G24 PolarHBondContact O-N 3.37Å; G24-S28 WeakPolarHBondContact O-CB 3.5Å; G24-S28 PolarHBondContact O-N 3.44Å; G24-S28 PolarHBondContact O-OG 3.45Å; G24-E153 WeakPolarHBondContact CA-OE2 3.25Å; G24-E153 PolarHBondContact N-OE1 2.88Å
25	I	95.2	Very high	92.3	Very high	34 Å²	34	20.1 Å²	20.1	17%	0.174	14%	0.136	C	C	.	.	H	α-helix	trans	-68.9	-43.2	175.7	-59.5	-60	0	0	0	111.5	G22 K23 S28 S29 F84 I257 V260	G22-I25 PolarHBondContact O-N 2.83Å; K23-I25 VanDerWaalsContact C-N 3.26Å; K23-I25 PolarHBondContact O-N 3.23Å; I25-S28 WeakPolarHBondContact CA-OG 3.46Å; I25-S28 PolarHBondContact O-OG 2.97Å; I25-S28 VanDerWaalsContact O-OG 3.1Å; I25-S29 WeakPolarHBondContact O-CB 3.35Å; I25-S29 PolarHBondContact O-N 3.17Å; I25-S29 PolarHBondContact O-OG 3.15Å; I25-F84 HydrophobicContact CD1-CZ 4.35Å; I25-I257 HydrophobicContact CD1-CB 4.39Å; I25-I257 HydrophobicContact CD1-CG2 4.22Å; I25-V260 HydrophobicContact CG2-CB 4.06Å; I25-V260 HydrophobicContact CG2-CG1 4.05Å; I25-V260 HydrophobicContact CG2-CG2 3.91Å
26	I	96.8	Very high	92.2	Very high	8 Å²	8	20.7 Å²	20.7	4%	0.041	14%	0.139	C	C	.	.	H	α-helix	trans	-64.7	-47.5	176.6	-61.7	-54.4	0	0	0	111	G22 K23 S29 V30 I185 V187 V222 V251 V260	G22-I26 WeakPolarHBondContact O-CG1 3.49Å; G22-I26 PolarHBondContact O-N 3.19Å; K23-I26 PolarHBondContact O-N 3.08Å; K23-I26 VanDerWaalsContact O-N 3.09Å; I26-S29 PolarHBondContact O-N 3.41Å; I26-V30 WeakPolarHBondContact O-CG2 3.38Å; I26-V30 PolarHBondContact O-N 3.21Å; I26-I185 HydrophobicContact CG2-CG2 4.37Å; I26-V187 HydrophobicContact CB-CG2 4.17Å; I26-V187 HydrophobicContact CG1-CG1 4.26Å; I26-V187 HydrophobicContact CG1-CG2 4.15Å; I26-V187 HydrophobicContact CG2-CG2 4.08Å; I26-V222 HydrophobicContact CD1-CG1 3.86Å; I26-V222 HydrophobicContact CG1-CG1 4.1Å; I26-V222 HydrophobicContact CG2-CG1 4.41Å; I26-V222 HydrophobicContact CG2-CG2 4.26Å; I26-V251 HydrophobicContact CD1-CB 4.41Å; I26-V251 HydrophobicContact CD1-CG1 4.16Å; I26-V251 HydrophobicContact CD1-CG2 3.87Å; I26-V260 HydrophobicContact CD1-CG1 4.03Å
27	A	97.3	Very high	92.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.1	-47.7	-179.9	0	0	0	0	0	111.7	V13 K23 S29 V30 G31 Y81 V151 E153	V13-A27 HydrophobicContact CB-CB 4.3Å; V13-A27 HydrophobicContact CG1-CB 4.45Å; V13-A27 HydrophobicContact CG2-CB 3.9Å; K23-A27 WeakPolarHBondContact O-CB 3.43Å; K23-A27 PolarHBondContact O-N 2.81Å; A27-S29 VanDerWaalsContact C-N 3.33Å; A27-S29 PolarHBondContact O-N 2.94Å; A27-V30 PolarHBondContact O-N 3.03Å; A27-G31 PolarHBondContact O-N 3.43Å; A27-Y81 HydrophobicContact CB-CE1 3.76Å; A27-Y81 WeakPolarHBondContact CB-OH 3.44Å; A27-V151 HydrophobicContact CB-CG1 3.85Å; A27-E153 HydrophobicContact CB-CB 4.43Å
28	S	96.4	Very high	92.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.3	-35	176.1	58.2	0	0	0	0	112.6	G24 I25 G31 T32	G24-S28 WeakPolarHBondContact O-CB 3.5Å; G24-S28 PolarHBondContact O-N 3.44Å; G24-S28 PolarHBondContact O-OG 3.45Å; I25-S28 WeakPolarHBondContact CA-OG 3.46Å; I25-S28 PolarHBondContact O-OG 2.97Å; I25-S28 VanDerWaalsContact O-OG 3.1Å; S28-G31 PolarHBondContact O-N 3.43Å; S28-T32 WeakPolarHBondContact O-CB 3.14Å; S28-T32 PolarHBondContact O-N 2.91Å; S28-T32 PolarHBondContact O-OG1 3.46Å
29	S	96.5	Very high	92.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.4	-42.9	175.1	-63	0	0	0	0	112	I25 I26 A27 G31 T32 I33 V260	I25-S29 WeakPolarHBondContact O-CB 3.35Å; I25-S29 PolarHBondContact O-N 3.17Å; I25-S29 PolarHBondContact O-OG 3.15Å; I26-S29 PolarHBondContact O-N 3.41Å; A27-S29 VanDerWaalsContact C-N 3.33Å; A27-S29 PolarHBondContact O-N 2.94Å; S29-G31 VanDerWaalsContact C-N 3.32Å; S29-G31 PolarHBondContact O-N 3.27Å; S29-T32 WeakPolarHBondContact O-CB 3.5Å; S29-T32 PolarHBondContact O-N 2.91Å; S29-I33 WeakPolarHBondContact O-CD1 3.41Å; S29-I33 VanDerWaalsContact O-CG1 3.23Å; S29-I33 WeakPolarHBondContact O-CG1 3.31Å; S29-I33 PolarHBondContact O-N 2.99Å; S29-V260 WeakPolarHBondContact OG-CG1 3.34Å
30	V	96.9	Very high	93.4	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-59	-45.8	172.4	167.5	0	0	0	0	110.5	I11 I26 A27 T32 I33 L34 V151 I185 L264 F273	I11-V30 HydrophobicContact CD1-CG1 3.87Å; I11-V30 HydrophobicContact CG2-CG1 4.47Å; I26-V30 WeakPolarHBondContact O-CG2 3.38Å; I26-V30 PolarHBondContact O-N 3.21Å; A27-V30 PolarHBondContact O-N 3.03Å; V30-T32 VanDerWaalsContact C-N 3.35Å; V30-T32 PolarHBondContact O-N 3.4Å; V30-I33 PolarHBondContact O-N 3.41Å; V30-L34 HydrophobicContact CG1-CD1 4.01Å; V30-L34 WeakPolarHBondContact O-CG 2.94Å; V30-L34 PolarHBondContact O-N 3.19Å; V30-V151 HydrophobicContact CG1-CG2 4.43Å; V30-I185 HydrophobicContact CG2-CD1 3.84Å; V30-L264 HydrophobicContact CG2-CD1 4.35Å; V30-F273 HydrophobicContact CG1-CE2 3.68Å; V30-F273 HydrophobicContact CG1-CZ 3.84Å; V30-F273 HydrophobicContact CG2-CE2 4.29Å; V30-F273 HydrophobicContact CG2-CZ 4.27Å
31	G	96	Very high	94.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.7	-43.4	175.9	0	0	0	0	0	113.1	A27 S28 S29 I33 L34 K35	A27-G31 PolarHBondContact O-N 3.43Å; S28-G31 PolarHBondContact O-N 3.43Å; S29-G31 VanDerWaalsContact C-N 3.32Å; S29-G31 PolarHBondContact O-N 3.27Å; G31-I33 PolarHBondContact O-N 3.29Å; G31-L34 PolarHBondContact O-N 3.32Å; G31-K35 WeakPolarHBondContact O-CB 3.28Å; G31-K35 PolarHBondContact O-N 3.16Å
32	T	94.8	Very high	94.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.6	-45.1	176.9	-57.3	0	0	0	0	111.7	S28 S29 V30 K35 S36 P261 M288 W292	S28-T32 WeakPolarHBondContact O-CB 3.14Å; S28-T32 PolarHBondContact O-N 2.91Å; S28-T32 PolarHBondContact O-OG1 3.46Å; S29-T32 WeakPolarHBondContact O-CB 3.5Å; S29-T32 PolarHBondContact O-N 2.91Å; V30-T32 VanDerWaalsContact C-N 3.35Å; V30-T32 PolarHBondContact O-N 3.4Å; T32-K35 PolarHBondContact O-N 2.71Å; T32-S36 WeakPolarHBondContact O-CB 3.43Å; T32-S36 PolarHBondContact O-N 3.04Å; T32-P261 HydrophobicContact CG2-CB 4.46Å; T32-P261 HydrophobicContact CG2-CG 4.46Å; T32-M288 HydrophobicContact CG2-CE 4.09Å; T32-W292 HydrophobicContact CG2-CD2 4.07Å; T32-W292 VanDerWaalsContact CG2-CE2 3.46Å; T32-W292 HydrophobicContact CG2-CH2 4.34Å; T32-W292 HydrophobicContact CG2-CZ2 3.66Å
33	I	94.2	Very high	94.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.1	-46.2	179	-69.2	163.8	0	0	0	110.4	S29 V30 G31 S36 C37 P261 L264 V270	S29-I33 WeakPolarHBondContact O-CD1 3.41Å; S29-I33 VanDerWaalsContact O-CG1 3.23Å; S29-I33 WeakPolarHBondContact O-CG1 3.31Å; S29-I33 PolarHBondContact O-N 2.99Å; V30-I33 PolarHBondContact O-N 3.41Å; G31-I33 PolarHBondContact O-N 3.29Å; I33-S36 WeakPolarHBondContact O-CB 3.49Å; I33-S36 PolarHBondContact O-N 3.37Å; I33-S36 PolarHBondContact O-OG 3.38Å; I33-C37 PolarHBondContact O-N 3.12Å; I33-C37 VanDerWaalsContact O-N 3.12Å; I33-C37 PolarHBondContact O-SG 2.96Å; I33-P261 WeakPolarHBondContact CD1-O 3.43Å; I33-P261 HydrophobicContact CG1-CB 4.21Å; I33-L264 HydrophobicContact CD1-CB 3.62Å; I33-L264 HydrophobicContact CD1-CD1 4.17Å; I33-V270 HydrophobicContact CG2-CG2 3.16Å
34	L	94.4	Very high	95.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-67.7	-38.1	179.5	-66.6	176.1	0	0	0	112.2	I11 V30 G31 S36 C37 L39 V41 V149 F273 L279 I281	I11-L34 HydrophobicContact CD1-CD1 3.58Å; V30-L34 HydrophobicContact CG1-CD1 4.01Å; V30-L34 WeakPolarHBondContact O-CG 2.94Å; V30-L34 PolarHBondContact O-N 3.19Å; G31-L34 PolarHBondContact O-N 3.32Å; L34-S36 VanDerWaalsContact C-N 3.32Å; L34-S36 PolarHBondContact O-N 3.47Å; L34-C37 WeakPolarHBondContact O-CA 3.39Å; L34-C37 VanDerWaalsContact O-CB 3.28Å; L34-C37 WeakPolarHBondContact O-CB 3.24Å; L34-C37 PolarHBondContact O-N 2.98Å; L34-L39 HydrophobicContact CB-CD1 4.36Å; L34-L39 HydrophobicContact CD2-CD1 4.15Å; L34-L39 PolarHBondContact O-N 2.62Å; L34-V41 HydrophobicContact CB-CG2 3.84Å; L34-V149 HydrophobicContact CD1-CB 4.42Å; L34-V149 HydrophobicContact CD1-CG1 3.88Å; L34-V149 HydrophobicContact CD1-CG2 4.41Å; L34-F273 HydrophobicContact CD2-CD2 4.07Å; L34-L279 HydrophobicContact CD2-CD1 3.97Å; L34-I281 HydrophobicContact CD2-CD1 4.19Å
35	K	92.9	Very high	95.3	Very high	41 Å²	41	11 Å²	11	18%	0.178	7%	0.071	C	C	.	.	H	α-helix	trans	-64.3	-38.1	172.5	-168.1	162.8	179.9	166.5	0	111.6	G31 T32 C37 G38 L39 V41 L85 D86 D141 M288	G31-K35 WeakPolarHBondContact O-CB 3.28Å; G31-K35 PolarHBondContact O-N 3.16Å; T32-K35 PolarHBondContact O-N 2.71Å; K35-C37 PolarHBondContact O-N 3.2Å; K35-G38 PolarHBondContact O-N 3.38Å; K35-L39 WeakPolarHBondContact CA-O 3.36Å; K35-V41 HydrophobicContact CB-CG2 4.34Å; K35-L85 HydrophobicContact CD-CB 4.42Å; K35-L85 WeakPolarHBondContact CD-O 3.48Å; K35-L85 WeakPolarHBondContact CE-O 3.44Å; K35-L85 PolarHBondContact NZ-O 3.39Å; K35-D86 PolarHBondContact NZ-O 2.88Å; K35-D141 IonicContact NZ-OD1 3.57Å; K35-D141 PolarHBondContact NZ-OD1 3.43Å; K35-D141 IonicContact NZ-OD2 3.98Å; K35-M288 HydrophobicContact CB-SD 4.47Å; K35-M288 HydrophobicContact CG-SD 4.33Å
36	S	91.7	Very high	95.4	Very high	14 Å²	14	9.3 Å²	9.3	10%	0.098	6%	0.063	C	C	.	.	H	α-helix	trans	-65.4	-18.6	172.7	84.6	0	0	0	0	113.8	T32 I33 L34 G38	T32-S36 WeakPolarHBondContact O-CB 3.43Å; T32-S36 PolarHBondContact O-N 3.04Å; I33-S36 WeakPolarHBondContact O-CB 3.49Å; I33-S36 PolarHBondContact O-N 3.37Å; I33-S36 PolarHBondContact O-OG 3.38Å; L34-S36 VanDerWaalsContact C-N 3.32Å; L34-S36 PolarHBondContact O-N 3.47Å; S36-G38 VanDerWaalsContact C-N 3.3Å
37	C	91.3	Very high	95.4	Very high	19 Å²	19	9.3 Å²	9.3	13%	0.128	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	3.8	172.4	-63.6	0	0	0	0	113.2	I33 L34 K35 I281	I33-C37 PolarHBondContact O-N 3.12Å; I33-C37 VanDerWaalsContact O-N 3.12Å; I33-C37 PolarHBondContact O-SG 2.96Å; L34-C37 WeakPolarHBondContact O-CA 3.39Å; L34-C37 VanDerWaalsContact O-CB 3.28Å; L34-C37 WeakPolarHBondContact O-CB 3.24Å; L34-C37 PolarHBondContact O-N 2.98Å; K35-C37 PolarHBondContact O-N 3.2Å; C37-I281 HydrophobicContact CB-CD1 4.36Å; C37-I281 HydrophobicContact CB-CG1 4.12Å; C37-I281 HydrophobicContact CB-CG2 3.8Å
38	G	90.4	Very high	95.2	Very high	60 Å²	60	9.8 Å²	9.8	62%	0.619	7%	0.066	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	15.5	178.8	0	0	0	0	0	114.7	K35 S36	K35-G38 PolarHBondContact O-N 3.38Å; S36-G38 VanDerWaalsContact C-N 3.3Å
39	L	92.9	Very high	95.1	Very high	6 Å²	6	10.9 Å²	10.9	3%	0.031	7%	0.07	C	C	.	.			trans	-92.7	143.5	176.2	-59.8	173.8	0	0	0	110.9	L34 K35 V41 V149 L279 P280 I281	L34-L39 HydrophobicContact CB-CD1 4.36Å; L34-L39 HydrophobicContact CD2-CD1 4.15Å; L34-L39 PolarHBondContact O-N 2.62Å; K35-L39 WeakPolarHBondContact CA-O 3.36Å; L39-V41 HydrophobicContact CB-CG2 4.48Å; L39-V149 HydrophobicContact CD1-CG2 4.12Å; L39-L279 HydrophobicContact CD1-CB 4.44Å; L39-L279 HydrophobicContact CD1-CD1 4.05Å; L39-L279 HydrophobicContact CD1-CD2 4.04Å; L39-L279 HydrophobicContact CD1-CG 4.43Å; L39-P280 HydrophobicContact CD2-CG 4.22Å; L39-I281 HydrophobicContact CD1-CD1 4.22Å; L39-I281 HydrophobicContact CD1-CG1 3.92Å; L39-I281 HydrophobicContact CG-CG1 4.48Å
40	H	95.1	Very high	95	Very high	40 Å²	40	16.9 Å²	16.9	19%	0.185	10%	0.101	C	C	.	.			trans	-76.7	125.2	167.7	-64	-74.4	0	0	0	109.9	D141 D143 Q148 V149	H40-D141 IonicContact ND1-OD2 2.75Å; H40-D141 PolarHBondContact ND1-OD2 3.42Å; H40-D143 IonicContact CE1-OD2 3.51Å; H40-D143 PolarHBondContact CE1-OD2 3.44Å; H40-D143 IonicContact ND1-OD2 3.36Å; H40-D143 IonicContact NE2-OD2 3.65Å; H40-Q148 PolarHBondContact O-N 3.39Å; H40-V149 PolarHBondContact O-N 3.14Å; H40-V149 VanDerWaalsContact O-N 3.17Å
41	V	96.7	Very high	94.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.7	-173.6	-175.7	0	0	0	0	110.1	L34 K35 L39 L85 V149 V151	L34-V41 HydrophobicContact CB-CG2 3.84Å; K35-V41 HydrophobicContact CB-CG2 4.34Å; L39-V41 HydrophobicContact CB-CG2 4.48Å; V41-L85 HydrophobicContact CB-CD2 3.97Å; V41-L85 HydrophobicContact CG1-CD2 3.62Å; V41-V149 WeakPolarHBondContact CA-O 3.38Å; V41-V149 HydrophobicContact CG2-CB 4.46Å; V41-V151 HydrophobicContact CG1-CG2 3.95Å
42	T	98	Very high	94.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	164.7	168.9	-170.1	0	0	0	0	111.1	V140 P147 V149 C150 V151	T42-V140 WeakPolarHBondContact OG1-CG1 3.38Å; T42-P147 HydrophobicContact CG2-CB 3.86Å; T42-P147 HydrophobicContact CG2-CG 3.97Å; T42-V149 PolarHBondContact N-O 3.33Å; T42-C150 HydrophobicContact CG2-CB 3.78Å; T42-V151 PolarHBondContact O-N 3.35Å
43	S	98.1	Very high	94.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140.7	178.1	-169.3	0	0	0	0	111.4	Y81 N93 V151	S43-Y81 WeakPolarHBondContact OG-CD1 3.4Å; S43-Y81 WeakPolarHBondContact OG-CD2 3.43Å; S43-Y81 VanDerWaalsContact OG-CE1 3.28Å; S43-Y81 WeakPolarHBondContact OG-CE1 3.43Å; S43-Y81 VanDerWaalsContact OG-CG 3.28Å; S43-N93 PolarHBondContact O-ND2 3.2Å; S43-V151 CarbonylContact C-O 3.55Å; S43-V151 VanDerWaalsContact CA-O 3.27Å; S43-V151 WeakPolarHBondContact CA-O 3.31Å
44	I	98.4	Very high	94.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.3	169.6	-61.3	176.2	0	0	0	107.9	I46 N93 V132 Q135 V151 I152 E153	I44-I46 HydrophobicContact CG2-CG1 4.34Å; I44-N93 WeakPolarHBondContact CA-O 3.26Å; I44-V132 HydrophobicContact CD1-CB 4.42Å; I44-V132 HydrophobicContact CD1-CG1 4.21Å; I44-Q135 HydrophobicContact CD1-CB 3.82Å; I44-Q135 HydrophobicContact CG1-CB 4.45Å; I44-V151 PolarHBondContact N-O 3.11Å; I44-I152 HydrophobicContact CB-CG1 4.47Å; I44-I152 CarbonylContact O-C 3.46Å; I44-I152 VanDerWaalsContact O-CA 3.29Å; I44-I152 WeakPolarHBondContact O-CA 3.36Å; I44-E153 PolarHBondContact O-N 3.2Å
45	K	97.7	Very high	94.2	Very high	4 Å²	4	27 Å²	27	2%	0.017	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.3	173.7	177.9	64	168.9	61.8	0	108.9	D47 D77 L78 N93 L95 E153	K45-D47 VanDerWaalsContact NZ-CG 3.31Å; K45-D47 IonicContact NZ-OD1 3.39Å; K45-D47 PolarHBondContact NZ-OD1 3.08Å; K45-D47 IonicContact NZ-OD2 3.13Å; K45-D77 HydrophobicContact CD-CB 4.48Å; K45-L78 HydrophobicContact CB-CD1 3.5Å; K45-L78 HydrophobicContact CB-CG 4.28Å; K45-L78 HydrophobicContact CG-CD1 3.76Å; K45-N93 PolarHBondContact N-O 3.4Å; K45-L95 PolarHBondContact O-N 3.19Å; K45-E153 HydrophobicContact CD-CB 3.79Å; K45-E153 VanDerWaalsContact CD-CD 3.46Å; K45-E153 HydrophobicContact CD-CG 3.78Å; K45-E153 WeakPolarHBondContact CD-OE2 3.36Å; K45-E153 WeakPolarHBondContact CE-OE1 3.28Å; K45-E153 WeakPolarHBondContact CE-OE2 2.9Å
46	I	97.6	Very high	93.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.5	173.7	-59.9	175.5	0	0	0	108.4	I44 L95 I152 E153 L154 G155 F166 F170	I44-I46 HydrophobicContact CG2-CG1 4.34Å; I46-L95 CarbonylContact C-O 3.57Å; I46-L95 VanDerWaalsContact CA-O 3.3Å; I46-L95 WeakPolarHBondContact CA-O 3.46Å; I46-L95 HydrophobicContact CD1-CD2 4.49Å; I46-L95 HydrophobicContact CG1-CB 4.19Å; I46-L95 HydrophobicContact CG1-CD2 4.31Å; I46-I152 HydrophobicContact CD1-CG2 3.78Å; I46-I152 HydrophobicContact CG1-CG2 4.28Å; I46-E153 PolarHBondContact N-O 2.78Å; I46-L154 HydrophobicContact CB-CD1 4Å; I46-L154 HydrophobicContact CG2-CD1 3.64Å; I46-G155 VanDerWaalsContact O-CA 3.3Å; I46-G155 WeakPolarHBondContact O-CA 3.44Å; I46-G155 PolarHBondContact O-N 3.44Å; I46-F166 HydrophobicContact CD1-CD1 4.48Å; I46-F166 HydrophobicContact CG2-CD1 3.41Å; I46-F166 VanDerWaalsContact CG2-CD1 3.41Å; I46-F166 HydrophobicContact CG2-CD2 4.17Å; I46-F166 HydrophobicContact CG2-CE1 3.41Å; I46-F166 VanDerWaalsContact CG2-CE1 3.41Å; I46-F166 HydrophobicContact CG2-CE2 4.17Å; I46-F166 HydrophobicContact CG2-CG 3.8Å; I46-F166 HydrophobicContact CG2-CZ 3.8Å; I46-F170 HydrophobicContact CD1-CE2 3.37Å; I46-F170 HydrophobicContact CD1-CZ 3.45Å; I46-F170 VanDerWaalsContact CD1-CZ 3.45Å
47	D	95.4	Very high	93.6	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.043	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.1	-179.8	-79.8	-55	0	0	0	110.3	K45 Y49 N94 L95 T96 T97	K45-D47 VanDerWaalsContact NZ-CG 3.31Å; K45-D47 IonicContact NZ-OD1 3.39Å; K45-D47 PolarHBondContact NZ-OD1 3.08Å; K45-D47 IonicContact NZ-OD2 3.13Å; D47-Y49 HydrophobicContact CB-CD1 3.73Å; D47-Y49 HydrophobicContact CB-CE1 3.38Å; D47-Y49 HydrophobicContact CB-CE2 4.29Å; D47-Y49 HydrophobicContact CB-CG 4.3Å; D47-Y49 VanDerWaalsContact CG-CE1 3.43Å; D47-Y49 PolarHBondContact O-N 2.91Å; D47-N94 PolarHBondContact OD2-ND2 2.75Å; D47-L95 PolarHBondContact N-O 2.97Å; D47-T96 HydrophobicContact CB-CG2 4.15Å; D47-T96 VanDerWaalsContact O-CA 3.3Å; D47-T96 WeakPolarHBondContact O-CA 3.48Å; D47-T97 PolarHBondContact O-N 3.28Å
48	P	94.3	Very high	93.1	Very high	10 Å²	10	31.8 Å²	31.8	7%	0.065	19%	0.189	C	C	.	.			trans	-72.7	-11.6	-176.8	27.8	-32.9	0	0	0	113.5	T97 E162 F166	P48-T97 VanDerWaalsContact C-OG1 3.28Å; P48-T97 PolarHBondContact O-OG1 2.71Å; P48-E162 HydrophobicContact CB-CB 3.69Å; P48-F166 HydrophobicContact CB-CE2 4.46Å
49	Y	93.3	Very high	92.6	Very high	22 Å²	22	30.4 Å²	30.4	9%	0.086	17%	0.17	C	C	.	.	S	Bend	trans	-66.3	158.7	177.7	65	-115.6	0	0	0	112.9	D47 N51 F57 T96 T97	D47-Y49 HydrophobicContact CB-CD1 3.73Å; D47-Y49 HydrophobicContact CB-CE1 3.38Å; D47-Y49 HydrophobicContact CB-CE2 4.29Å; D47-Y49 HydrophobicContact CB-CG 4.3Å; D47-Y49 VanDerWaalsContact CG-CE1 3.43Å; D47-Y49 PolarHBondContact O-N 2.91Å; Y49-N51 HydrophobicContact CD2-CB 3.8Å; Y49-N51 WeakPolarHBondContact CD2-O 3.48Å; Y49-N51 HydrophobicContact CE2-CB 3.87Å; Y49-N51 VanDerWaalsContact CE2-O 3.26Å; Y49-N51 WeakPolarHBondContact CE2-O 3.39Å; Y49-F57 HydrophobicContact CD1-CE2 4.41Å; Y49-F57 HydrophobicContact CD1-CZ 4.01Å; Y49-F57 AromaticContact CD2-CZ 3.92Å; Y49-F57 HydrophobicContact CD2-CZ 3.92Å; Y49-F57 AromaticContact CE1-CE2 3.87Å; Y49-F57 HydrophobicContact CE1-CE2 3.87Å; Y49-F57 AromaticContact CE1-CZ 3.8Å; Y49-F57 HydrophobicContact CE1-CZ 3.8Å; Y49-F57 HydrophobicContact CE2-CE2 4.35Å; Y49-F57 AromaticContact CE2-CZ 3.72Å; Y49-F57 HydrophobicContact CE2-CZ 3.72Å; Y49-F57 HydrophobicContact CG-CZ 4.08Å; Y49-F57 AromaticContact CZ-CE2 3.85Å; Y49-F57 AromaticContact CZ-CZ 3.67Å; Y49-T96 HydrophobicContact CD2-CG2 4.37Å; Y49-T96 HydrophobicContact CE2-CG2 3.55Å; Y49-T97 WeakPolarHBondContact O-CB 3.35Å; Y49-T97 PolarHBondContact O-N 3.48Å
50	I	95.4	Very high	91.8	Very high	126 Å²	126	33.4 Å²	33.4	65%	0.646	18%	0.181	S	C	*	.	S	Bend	trans	-83.4	-27.7	-172.9	-63	174.9	0	0	0	113.1	I52 G98	I50-I52 PolarHBondContact O-N 3.04Å; I50-G98 WeakPolarHBondContact O-CA 3.49Å; I50-G98 PolarHBondContact O-N 3.21Å
51	N	95.1	Very high	90.8	Very high	65 Å²	65	38.5 Å²	38.5	35%	0.348	21%	0.205	S	C	.	.			trans	-52.2	139.8	176.9	-63.8	60.6	0	0	0	111.5	Y49 D53 T56 F57 T96	Y49-N51 HydrophobicContact CD2-CB 3.8Å; Y49-N51 WeakPolarHBondContact CD2-O 3.48Å; Y49-N51 HydrophobicContact CE2-CB 3.87Å; Y49-N51 VanDerWaalsContact CE2-O 3.26Å; Y49-N51 WeakPolarHBondContact CE2-O 3.39Å; N51-D53 VanDerWaalsContact C-N 3.3Å; N51-D53 WeakPolarHBondContact CB-O 3.13Å; N51-T56 PolarHBondContact ND2-OG1 2.87Å; N51-F57 HydrophobicContact CB-CE1 3.74Å; N51-F57 HydrophobicContact CB-CZ 4.14Å; N51-F57 VanDerWaalsContact CG-CE1 3.43Å; N51-T96 WeakPolarHBondContact O-CB 3.47Å; N51-T96 WeakPolarHBondContact O-CG2 3.35Å; N51-T96 PolarHBondContact O-OG1 3.12Å
52	I	93.5	Very high	89.7	Confident	76 Å²	76	43 Å²	43	39%	0.39	23%	0.226	S	C	.	.	S	Bend	trans	-71.8	-32.7	-177.1	-64.1	174.3	0	0	0	110.8	I50 T96 K99 Q102	I50-I52 PolarHBondContact O-N 3.04Å; I52-T96 PolarHBondContact O-OG1 2.96Å; I52-K99 WeakPolarHBondContact O-CE 3.45Å; I52-Q102 HydrophobicContact CD1-CG 4.49Å
53	D	91.9	Very high	89	Confident	60 Å²	60	43.4 Å²	43.4	32%	0.321	23%	0.229	S	C	.	.	S	Bend	trans	-146	175.2	179.1	57.3	48.6	0	0	0	109.5	N51 G55 E73	N51-D53 VanDerWaalsContact C-N 3.3Å; N51-D53 WeakPolarHBondContact CB-O 3.13Å; D53-G55 PolarHBondContact OD1-N 3.24Å; D53-G55 VanDerWaalsContact OD1-N 3.08Å; D53-E73 WeakPolarHBondContact CB-O 3.38Å
54	A	89.9	Confident	88.5	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.008	23%	0.234	C	C	.	.	S	Bend	trans	-90	-2.5	179	0	0	0	0	0	113.3	T56 F57 V65 E73 V74	A54-T56 PolarHBondContact O-N 2.65Å; A54-T56 VanDerWaalsContact O-N 3.07Å; A54-F57 HydrophobicContact CB-CD2 3.75Å; A54-F57 HydrophobicContact CB-CE2 3.98Å; A54-F57 HydrophobicContact CB-CG 4.45Å; A54-F57 WeakPolarHBondContact O-CB 3.42Å; A54-F57 PolarHBondContact O-N 3.49Å; A54-V65 HydrophobicContact CB-CG1 4.37Å; A54-V65 WeakPolarHBondContact O-CG2 3.4Å; A54-E73 PolarHBondContact N-O 2.99Å; A54-V74 VanDerWaalsContact CB-C 3.48Å
55	G	88.9	Confident	88.2	Confident	14 Å²	14	44.8 Å²	44.8	14%	0.144	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.2	-168.3	0	0	0	0	0	114.5	D53 E73 R486	D53-G55 PolarHBondContact OD1-N 3.24Å; D53-G55 VanDerWaalsContact OD1-N 3.08Å; G55-E73 VanDerWaalsContact CA-OE1 3.25Å; G55-E73 WeakPolarHBondContact CA-OE1 3.25Å; G55-R486 PolarHBondContact O-NH2 3.37Å
56	T	87.2	Confident	88.1	Confident	107 Å²	107	44.6 Å²	44.6	66%	0.656	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	0.2	-179.8	53.8	0	0	0	0	114.1	N51 A54	N51-T56 PolarHBondContact ND2-OG1 2.87Å; A54-T56 PolarHBondContact O-N 2.65Å; A54-T56 VanDerWaalsContact O-N 3.07Å
57	F	84.6	Confident	88.1	Confident	25 Å²	25	44.6 Å²	44.6	11%	0.11	24%	0.236	C	C	.	.			trans	-70.2	144.4	-179.6	-71.3	-13.2	0	0	0	112.7	Y49 N51 A54 H62	Y49-F57 HydrophobicContact CD1-CE2 4.41Å; Y49-F57 HydrophobicContact CD1-CZ 4.01Å; Y49-F57 AromaticContact CD2-CZ 3.92Å; Y49-F57 HydrophobicContact CD2-CZ 3.92Å; Y49-F57 AromaticContact CE1-CE2 3.87Å; Y49-F57 HydrophobicContact CE1-CE2 3.87Å; Y49-F57 AromaticContact CE1-CZ 3.8Å; Y49-F57 HydrophobicContact CE1-CZ 3.8Å; Y49-F57 HydrophobicContact CE2-CE2 4.35Å; Y49-F57 AromaticContact CE2-CZ 3.72Å; Y49-F57 HydrophobicContact CE2-CZ 3.72Å; Y49-F57 HydrophobicContact CG-CZ 4.08Å; Y49-F57 AromaticContact CZ-CE2 3.85Å; Y49-F57 AromaticContact CZ-CZ 3.67Å; N51-F57 HydrophobicContact CB-CE1 3.74Å; N51-F57 HydrophobicContact CB-CZ 4.14Å; N51-F57 VanDerWaalsContact CG-CE1 3.43Å; A54-F57 HydrophobicContact CB-CD2 3.75Å; A54-F57 HydrophobicContact CB-CE2 3.98Å; A54-F57 HydrophobicContact CB-CG 4.45Å; A54-F57 WeakPolarHBondContact O-CB 3.42Å; A54-F57 PolarHBondContact O-N 3.49Å; F57-H62 HydrophobicContact CD2-CB 3.57Å; F57-H62 HydrophobicContact CE2-CB 3.82Å; F57-H62 AromaticContact CE2-CG 3.92Å; F57-H62 HydrophobicContact CG-CB 4.27Å
58	S	81.5	Confident	88.1	Confident	42 Å²	42	44.2 Å²	44.2	29%	0.294	23%	0.234	S	C	.	.			trans	-74.7	129	161.5	177.6	0	0	0	0	108.9	Y60 E61	S58-Y60 PolarHBondContact O-N 2.96Å; S58-Y60 PolarHBondContact OG-N 3.19Å; S58-E61 PolarHBondContact O-N 2.97Å
59	P	79.9	Confident	88.2	Confident	32 Å²	32	45.2 Å²	45.2	21%	0.208	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-14.3	175.7	-27.8	35.8	0	0	0	115.4	G63 Y314 S320	P59-G63 WeakPolarHBondContact CA-O 3.49Å; P59-G63 WeakPolarHBondContact O-CA 3.29Å; P59-Y314 HydrophobicContact CB-CD1 4.29Å; P59-Y314 HydrophobicContact CB-CD2 4.46Å; P59-Y314 HydrophobicContact CB-CE1 4.37Å; P59-Y314 HydrophobicContact CB-CG 4.4Å; P59-Y314 HydrophobicContact CG-CE1 4.47Å; P59-Y314 HydrophobicContact CG-CE2 4.28Å; P59-S320 PolarHBondContact O-OG 2.99Å
60	Y	76.3	Confident	88.3	Confident	69 Å²	69	47.4 Å²	47.4	27%	0.271	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-19.6	175.9	-80.6	-46.4	0	0	0	114.5	S58 K313 Y314 F317	S58-Y60 PolarHBondContact O-N 2.96Å; S58-Y60 PolarHBondContact OG-N 3.19Å; Y60-K313 PolarHBondContact OH-O 3.35Å; Y60-Y314 AromaticContact CD1-CD1 3.72Å; Y60-Y314 HydrophobicContact CD1-CD1 3.72Å; Y60-Y314 AromaticContact CD2-CD1 3.42Å; Y60-Y314 HydrophobicContact CD2-CD1 3.42Å; Y60-Y314 VanDerWaalsContact CD2-CD1 3.42Å; Y60-Y314 AromaticContact CD2-CE1 3.56Å; Y60-Y314 HydrophobicContact CD2-CE1 3.56Å; Y60-Y314 AromaticContact CE1-CD1 3.56Å; Y60-Y314 HydrophobicContact CE1-CD1 3.56Å; Y60-Y314 HydrophobicContact CE1-CG 4.17Å; Y60-Y314 AromaticContact CE2-CD1 3.23Å; Y60-Y314 HydrophobicContact CE2-CD1 3.23Å; Y60-Y314 AromaticContact CE2-CE1 3.53Å; Y60-Y314 HydrophobicContact CE2-CE1 3.53Å; Y60-Y314 HydrophobicContact CE2-CG 4.36Å; Y60-Y314 AromaticContact CG-CD1 3.67Å; Y60-Y314 HydrophobicContact CG-CD1 3.67Å; Y60-Y314 HydrophobicContact CG-CE1 4.14Å; Y60-Y314 AromaticContact CZ-CD1 3.31Å; Y60-Y314 WeakPolarHBondContact OH-CA 3.28Å; Y60-F317 AromaticContact CD1-CD2 3.64Å; Y60-F317 HydrophobicContact CD1-CD2 3.64Å; Y60-F317 HydrophobicContact CD1-CE2 4.23Å; Y60-F317 HydrophobicContact CE1-CD2 4.03Å
61	E	73	Confident	88.3	Confident	147 Å²	147	42.1 Å²	42.1	69%	0.687	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-55	-173.6	-67.9	-179.7	175.6	0	0	111.4	S58	S58-E61 PolarHBondContact O-N 2.97Å
62	H	74.5	Confident	88.3	Confident	94 Å²	94	39.2 Å²	39.2	44%	0.435	21%	0.214	S	C	.	.	S	Bend	trans	-114.4	11.2	-173.9	-78.6	-78.6	0	0	0	113.4	F57	F57-H62 HydrophobicContact CD2-CB 3.57Å; F57-H62 HydrophobicContact CE2-CB 3.82Å; F57-H62 AromaticContact CE2-CG 3.92Å; F57-H62 HydrophobicContact CG-CB 4.27Å
63	G	82.5	Confident	88.3	Confident	8 Å²	8	37.2 Å²	37.2	8%	0.082	20%	0.203	C	C	.	.			trans	78.5	-169.5	-174.9	0	0	0	0	0	112.7	P59	P59-G63 WeakPolarHBondContact CA-O 3.49Å; P59-G63 WeakPolarHBondContact O-CA 3.29Å
64	E	87.6	Confident	88.5	Confident	22 Å²	22	34.5 Å²	34.5	10%	0.103	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-64.8	143.7	-178.2	-175.3	-175.2	-171.9	0	0	113.2	L76 D319 S323	E64-L76 HydrophobicContact CB-CD1 4.45Å; E64-D319 PolarHBondContact N-O 3.06Å; E64-S323 WeakPolarHBondContact OE2-CA 3.42Å; E64-S323 WeakPolarHBondContact OE2-CB 3.39Å; E64-S323 PolarHBondContact OE2-N 3.43Å; E64-S323 PolarHBondContact OE2-OG 2.92Å
65	V	92.6	Very high	88.5	Confident	9 Å²	9	35.2 Å²	35.2	6%	0.055	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-75.5	123.3	169.6	-179.2	0	0	0	0	109.5	A54 E73	A54-V65 HydrophobicContact CB-CG1 4.37Å; A54-V65 WeakPolarHBondContact O-CG2 3.4Å; V65-E73 HydrophobicContact CG1-CB 3.84Å; V65-E73 HydrophobicContact CG1-CG 4.28Å
66	F	95.4	Very high	88.4	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	137.8	174.1	-167.7	-99.1	0	0	0	110.3	L68 V74 L78 G79 E82 R484 F536	F66-L68 HydrophobicContact CD1-CD2 3.86Å; F66-L68 HydrophobicContact CE1-CD2 3.7Å; F66-V74 HydrophobicContact CB-CG2 4.06Å; F66-V74 HydrophobicContact CD1-CG2 3.94Å; F66-V74 PolarHBondContact N-O 3.39Å; F66-V74 WeakPolarHBondContact O-CG2 3.39Å; F66-V74 PolarHBondContact O-N 3.2Å; F66-L78 HydrophobicContact CD1-CB 4.47Å; F66-G79 VanDerWaalsContact CE2-CA 3.46Å; F66-G79 VanDerWaalsContact CZ-CA 3.45Å; F66-E82 HydrophobicContact CE1-CG 4.42Å; F66-R484 VanDerWaalsContact CE1-NH1 3.32Å; F66-F536 AromaticContact CD2-CD1 3.45Å; F66-F536 HydrophobicContact CD2-CD1 3.45Å; F66-F536 VanDerWaalsContact CD2-CD1 3.45Å; F66-F536 AromaticContact CD2-CE1 3.93Å; F66-F536 HydrophobicContact CD2-CE1 3.93Å; F66-F536 HydrophobicContact CD2-CG 4.26Å; F66-F536 HydrophobicContact CE2-CB 3.91Å; F66-F536 AromaticContact CE2-CD1 3.52Å; F66-F536 HydrophobicContact CE2-CD1 3.52Å; F66-F536 HydrophobicContact CE2-CE1 4.43Å; F66-F536 HydrophobicContact CE2-CG 4.05Å; F66-F536 HydrophobicContact CG-CD1 4.32Å; F66-F536 HydrophobicContact CZ-CB 4.1Å; F66-F536 HydrophobicContact CZ-CD1 4.43Å
67	V	96.8	Very high	88.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.3	-178.6	-176.9	0	0	0	0	109.6	G72 L457 R484 R486 F536	V67-G72 WeakPolarHBondContact CA-O 3.2Å; V67-L457 HydrophobicContact CG1-CD1 4.11Å; V67-R484 HydrophobicContact CG1-CB 4.33Å; V67-R484 WeakPolarHBondContact O-CD 3.27Å; V67-R484 PolarHBondContact O-NE 3.41Å; V67-R484 PolarHBondContact O-NH1 3.41Å; V67-R486 HydrophobicContact CG2-CB 3.92Å; V67-R486 HydrophobicContact CG2-CG 4.19Å; V67-F536 HydrophobicContact CB-CD2 3.88Å; V67-F536 HydrophobicContact CB-CE2 3.65Å; V67-F536 HydrophobicContact CB-CZ 4.37Å; V67-F536 HydrophobicContact CG2-CD2 4.32Å; V67-F536 HydrophobicContact CG2-CE2 3.56Å; V67-F536 HydrophobicContact CG2-CZ 4.02Å
68	L	96.9	Very high	88.9	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.			trans	-99.8	168.8	177.1	-61.2	178.9	0	0	0	112.5	F66 D70 G71 G72 V74 L78 L89 T90 G458	F66-L68 HydrophobicContact CD1-CD2 3.86Å; F66-L68 HydrophobicContact CE1-CD2 3.7Å; L68-D70 VanDerWaalsContact C-N 3.25Å; L68-D70 WeakPolarHBondContact CB-OD1 3.27Å; L68-D70 PolarHBondContact O-N 2.83Å; L68-G71 PolarHBondContact O-N 3.42Å; L68-G71 VanDerWaalsContact O-N 3.13Å; L68-G72 PolarHBondContact N-O 2.78Å; L68-V74 HydrophobicContact CD1-CB 4.49Å; L68-V74 HydrophobicContact CD1-CG1 3.75Å; L68-V74 HydrophobicContact CD1-CG2 3.95Å; L68-V74 HydrophobicContact CD2-CG2 4.14Å; L68-V74 HydrophobicContact CG-CG1 4.31Å; L68-V74 HydrophobicContact CG-CG2 3.79Å; L68-L78 HydrophobicContact CD1-CD2 4.15Å; L68-L89 HydrophobicContact CD1-CB 4.36Å; L68-L89 HydrophobicContact CD2-CB 4.13Å; L68-T90 VanDerWaalsContact CD1-O 3.25Å; L68-T90 WeakPolarHBondContact CD1-O 3.08Å; L68-G458 WeakPolarHBondContact O-CA 3.44Å
69	D	96.3	Very high	89.5	Confident	30 Å²	30	29.7 Å²	29.7	16%	0.16	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-35.4	-178.1	-84.4	24.2	0	0	0	112.4	G71 R88 K459 R484	D69-G71 PolarHBondContact O-N 2.91Å; D69-R88 IonicContact OD1-NH1 2.77Å; D69-R88 PolarHBondContact OD1-NH1 2.9Å; D69-R88 WeakPolarHBondContact OD2-CD 3.49Å; D69-R88 IonicContact OD2-CZ 3.18Å; D69-R88 IonicContact OD2-NE 2.99Å; D69-R88 IonicContact OD2-NH1 3.97Å; D69-R88 PolarHBondContact OD2-NH1 3.41Å; D69-K459 HydrophobicContact CB-CB 4.17Å; D69-K459 WeakPolarHBondContact O-CB 3.19Å; D69-K459 PolarHBondContact O-N 3.34Å; D69-K459 WeakPolarHBondContact OD2-CD 3.43Å; D69-K459 WeakPolarHBondContact OD2-CE 3.36Å; D69-K459 IonicContact OD2-NZ 3.91Å; D69-K459 PolarHBondContact OD2-NZ 3.43Å; D69-R484 IonicContact OD1-CZ 3.66Å; D69-R484 IonicContact OD1-NE 2.63Å; D69-R484 PolarHBondContact OD1-NE 3.17Å; D69-R484 IonicContact OD1-NH2 2.86Å; D69-R484 PolarHBondContact OD1-NH2 3.19Å
70	D	95.1	Very high	90.1	Very high	68 Å²	68	29.2 Å²	29.2	36%	0.364	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	8.6	-179.4	70	-15.4	0	0	0	114	L68 G72 T90 K91	L68-D70 VanDerWaalsContact C-N 3.25Å; L68-D70 WeakPolarHBondContact CB-OD1 3.27Å; L68-D70 PolarHBondContact O-N 2.83Å; D70-G72 VanDerWaalsContact C-N 3.35Å; D70-G72 PolarHBondContact OD1-N 2.76Å; D70-T90 WeakPolarHBondContact OD2-CB 3.36Å; D70-K91 PolarHBondContact OD1-N 3.39Å; D70-K91 WeakPolarHBondContact OD2-CB 3.48Å; D70-K91 VanDerWaalsContact OD2-CG 3.28Å; D70-K91 WeakPolarHBondContact OD2-CG 3.47Å; D70-K91 PolarHBondContact OD2-N 3.3Å
71	G	94.5	Very high	91	Very high	15 Å²	15	26 Å²	26	16%	0.155	14%	0.136	C	C	.	.			trans	79.6	12.8	-177.5	0	0	0	0	0	114.3	L68 D69 E73 L457	L68-G71 PolarHBondContact O-N 3.42Å; L68-G71 VanDerWaalsContact O-N 3.13Å; D69-G71 PolarHBondContact O-N 2.91Å; G71-E73 PolarHBondContact O-N 3.23Å; G71-L457 WeakPolarHBondContact O-CD2 3.39Å; G71-L457 WeakPolarHBondContact O-CG 3.45Å
72	G	94.8	Very high	92.1	Very high	5 Å²	5	19 Å²	19	5%	0.052	10%	0.103	C	C	.	.			trans	-61.6	126.7	170	0	0	0	0	0	112.4	V67 L68 D70	V67-G72 WeakPolarHBondContact CA-O 3.2Å; L68-G72 PolarHBondContact N-O 2.78Å; D70-G72 VanDerWaalsContact C-N 3.35Å; D70-G72 PolarHBondContact OD1-N 2.76Å
73	E	95.3	Very high	93.1	Very high	34 Å²	34	14.9 Å²	14.9	16%	0.159	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	108.4	168.2	-64.4	-178.6	98.9	0	0	108.9	D53 A54 G55 V65 G71 L457 R486	D53-E73 WeakPolarHBondContact CB-O 3.38Å; A54-E73 PolarHBondContact N-O 2.99Å; G55-E73 VanDerWaalsContact CA-OE1 3.25Å; G55-E73 WeakPolarHBondContact CA-OE1 3.25Å; V65-E73 HydrophobicContact CG1-CB 3.84Å; V65-E73 HydrophobicContact CG1-CG 4.28Å; G71-E73 PolarHBondContact O-N 3.23Å; E73-L457 HydrophobicContact CG-CD1 4.09Å; E73-L457 HydrophobicContact CG-CD2 4.1Å; E73-R486 IonicContact OE1-CZ 2.87Å; E73-R486 IonicContact OE1-NE 2.76Å; E73-R486 PolarHBondContact OE1-NE 3.4Å; E73-R486 IonicContact OE1-NH2 2.99Å; E73-R486 PolarHBondContact OE1-NH2 3.44Å
74	V	94.5	Very high	93.6	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.012	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	165.5	-167.6	-61	0	0	0	0	111.6	A54 F66 L68 L78 N94	A54-V74 VanDerWaalsContact CB-C 3.48Å; F66-V74 HydrophobicContact CB-CG2 4.06Å; F66-V74 HydrophobicContact CD1-CG2 3.94Å; F66-V74 PolarHBondContact N-O 3.39Å; F66-V74 WeakPolarHBondContact O-CG2 3.39Å; F66-V74 PolarHBondContact O-N 3.2Å; L68-V74 HydrophobicContact CD1-CB 4.49Å; L68-V74 HydrophobicContact CD1-CG1 3.75Å; L68-V74 HydrophobicContact CD1-CG2 3.95Å; L68-V74 HydrophobicContact CD2-CG2 4.14Å; L68-V74 HydrophobicContact CG-CG1 4.31Å; L68-V74 HydrophobicContact CG-CG2 3.79Å; V74-L78 HydrophobicContact CB-CB 4.5Å; V74-L78 HydrophobicContact CB-CD1 4.29Å; V74-L78 HydrophobicContact CB-CD2 3.94Å; V74-L78 HydrophobicContact CB-CG 4.47Å; V74-L78 HydrophobicContact CG1-CD2 4.11Å; V74-L78 HydrophobicContact CG2-CB 3.76Å; V74-L78 HydrophobicContact CG2-CD1 4.44Å; V74-L78 HydrophobicContact CG2-CD2 3.79Å; V74-L78 HydrophobicContact CG2-CG 4.2Å; V74-N94 HydrophobicContact CB-CB 4.13Å; V74-N94 HydrophobicContact CG1-CB 3.65Å
75	D	90.5	Very high	93.8	Very high	16 Å²	16	13.7 Å²	13.7	9%	0.086	8%	0.076	C	C	.	.			trans	-59	149.3	174.8	-174.6	-95.4	0	0	0	112.1	D77 L78	D75-D77 PolarHBondContact O-N 3.38Å; D75-D77 VanDerWaalsContact O-N 3.17Å; D75-D77 VanDerWaalsContact OD1-CB 3.3Å; D75-D77 WeakPolarHBondContact OD1-CB 3.43Å; D75-D77 PolarHBondContact OD1-N 2.99Å; D75-L78 HydrophobicContact CB-CD1 4.47Å; D75-L78 PolarHBondContact O-N 3.35Å; D75-L78 VanDerWaalsContact O-N 3.1Å
76	L	87.6	Confident	93.8	Very high	25 Å²	25	18 Å²	18	13%	0.131	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.6	-178.2	179.6	63.9	0	0	0	113.1	E64 L78 G79 A322	E64-L76 HydrophobicContact CB-CD1 4.45Å; L76-L78 PolarHBondContact O-N 3.22Å; L76-G79 PolarHBondContact O-N 3.34Å; L76-A322 HydrophobicContact CD1-CB 4.08Å; L76-A322 HydrophobicContact CD2-CB 3.48Å; L76-A322 VanDerWaalsContact CD2-CB 3.48Å; L76-A322 HydrophobicContact CG-CB 4.37Å
77	D	88.5	Confident	93.8	Very high	46 Å²	46	18.1 Å²	18.1	25%	0.246	10%	0.099	C	C	.	.	H	α-helix	trans	-61	-26.7	179.8	-78.5	-30.4	0	0	0	112.4	K45 D75 G79 N80 Y81	K45-D77 HydrophobicContact CD-CB 4.48Å; D75-D77 PolarHBondContact O-N 3.38Å; D75-D77 VanDerWaalsContact O-N 3.17Å; D75-D77 VanDerWaalsContact OD1-CB 3.3Å; D75-D77 WeakPolarHBondContact OD1-CB 3.43Å; D75-D77 PolarHBondContact OD1-N 2.99Å; D77-G79 PolarHBondContact O-N 3.19Å; D77-N80 WeakPolarHBondContact O-CB 3.39Å; D77-N80 PolarHBondContact O-N 3.01Å; D77-N80 PolarHBondContact OD1-ND2 3.02Å; D77-Y81 VanDerWaalsContact O-CD2 3.25Å; D77-Y81 WeakPolarHBondContact O-CD2 3.44Å; D77-Y81 PolarHBondContact O-N 3.28Å
78	L	93.8	Very high	93.7	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-62.6	-33.9	173	-83.9	81	0	0	0	112.9	K45 F66 L68 V74 D75 L76 N80 Y81 E82 L89 N94	K45-L78 HydrophobicContact CB-CD1 3.5Å; K45-L78 HydrophobicContact CB-CG 4.28Å; K45-L78 HydrophobicContact CG-CD1 3.76Å; F66-L78 HydrophobicContact CD1-CB 4.47Å; L68-L78 HydrophobicContact CD1-CD2 4.15Å; V74-L78 HydrophobicContact CB-CB 4.5Å; V74-L78 HydrophobicContact CB-CD1 4.29Å; V74-L78 HydrophobicContact CB-CD2 3.94Å; V74-L78 HydrophobicContact CB-CG 4.47Å; V74-L78 HydrophobicContact CG1-CD2 4.11Å; V74-L78 HydrophobicContact CG2-CB 3.76Å; V74-L78 HydrophobicContact CG2-CD1 4.44Å; V74-L78 HydrophobicContact CG2-CD2 3.79Å; V74-L78 HydrophobicContact CG2-CG 4.2Å; D75-L78 HydrophobicContact CB-CD1 4.47Å; D75-L78 PolarHBondContact O-N 3.35Å; D75-L78 VanDerWaalsContact O-N 3.1Å; L76-L78 PolarHBondContact O-N 3.22Å; L78-N80 PolarHBondContact O-N 3.32Å; L78-Y81 PolarHBondContact O-N 2.91Å; L78-E82 PolarHBondContact O-N 2.9Å; L78-E82 VanDerWaalsContact O-N 3.14Å; L78-L89 HydrophobicContact CB-CD1 4.32Å; L78-L89 HydrophobicContact CD2-CD1 4.07Å; L78-L89 HydrophobicContact CG-CD1 4.13Å; L78-N94 HydrophobicContact CD1-CB 4.16Å; L78-N94 HydrophobicContact CD2-CB 3.82Å
79	G	93.3	Very high	93.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.4	-28.6	174.3	0	0	0	0	0	113	F66 L76 D77 R83	F66-G79 VanDerWaalsContact CE2-CA 3.46Å; F66-G79 VanDerWaalsContact CZ-CA 3.45Å; L76-G79 PolarHBondContact O-N 3.34Å; D77-G79 PolarHBondContact O-N 3.19Å; G79-R83 VanDerWaalsContact O-CB 3.31Å; G79-R83 WeakPolarHBondContact O-CB 3.35Å; G79-R83 WeakPolarHBondContact O-CD 3.36Å; G79-R83 WeakPolarHBondContact O-CG 3.37Å; G79-R83 PolarHBondContact O-N 3.18Å; G79-R83 VanDerWaalsContact O-N 3.08Å
80	N	92.8	Very high	93.7	Very high	22 Å²	22	22.3 Å²	22.3	12%	0.118	12%	0.118	C	C	.	.	H	α-helix	trans	-67.4	-43	174.5	-67.1	-36.2	0	0	0	110.9	D77 L78 R83 F84	D77-N80 WeakPolarHBondContact O-CB 3.39Å; D77-N80 PolarHBondContact O-N 3.01Å; D77-N80 PolarHBondContact OD1-ND2 3.02Å; L78-N80 PolarHBondContact O-N 3.32Å; N80-R83 PolarHBondContact O-N 2.73Å; N80-F84 WeakPolarHBondContact O-CB 3.36Å; N80-F84 VanDerWaalsContact O-CD2 3.28Å; N80-F84 WeakPolarHBondContact O-CD2 3.23Å; N80-F84 PolarHBondContact O-N 2.75Å
81	Y	95.4	Very high	93.7	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-48.5	177.3	-63.7	-65.6	0	0	0	112.2	A27 S43 D77 L78 R83 F84 L85 E153	A27-Y81 HydrophobicContact CB-CE1 3.76Å; A27-Y81 WeakPolarHBondContact CB-OH 3.44Å; S43-Y81 WeakPolarHBondContact OG-CD1 3.4Å; S43-Y81 WeakPolarHBondContact OG-CD2 3.43Å; S43-Y81 VanDerWaalsContact OG-CE1 3.28Å; S43-Y81 WeakPolarHBondContact OG-CE1 3.43Å; S43-Y81 VanDerWaalsContact OG-CG 3.28Å; D77-Y81 VanDerWaalsContact O-CD2 3.25Å; D77-Y81 WeakPolarHBondContact O-CD2 3.44Å; D77-Y81 PolarHBondContact O-N 3.28Å; L78-Y81 PolarHBondContact O-N 2.91Å; Y81-R83 VanDerWaalsContact C-N 3.29Å; Y81-R83 PolarHBondContact O-N 2.75Å; Y81-F84 PolarHBondContact O-N 3.29Å; Y81-L85 HydrophobicContact CD1-CD1 4.18Å; Y81-L85 WeakPolarHBondContact O-CB 3.26Å; Y81-L85 VanDerWaalsContact O-CD1 3.32Å; Y81-L85 WeakPolarHBondContact O-CD1 3.46Å; Y81-L85 PolarHBondContact O-N 2.94Å; Y81-E153 WeakPolarHBondContact OH-CB 3.46Å; Y81-E153 PolarHBondContact OH-OE2 3.02Å
82	E	96.1	Very high	93.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.1	-39.7	177.7	-73.8	-153.5	159.2	0	0	112.1	F66 L78 D86 I87 R88 L89 R484 R539	F66-E82 HydrophobicContact CE1-CG 4.42Å; L78-E82 PolarHBondContact O-N 2.9Å; L78-E82 VanDerWaalsContact O-N 3.14Å; E82-D86 VanDerWaalsContact O-CA 3.26Å; E82-D86 WeakPolarHBondContact O-CA 3.46Å; E82-D86 PolarHBondContact O-N 3.01Å; E82-I87 WeakPolarHBondContact CG-O 3.23Å; E82-R88 WeakPolarHBondContact OE1-CA 3.37Å; E82-L89 HydrophobicContact CG-CB 4.44Å; E82-L89 HydrophobicContact CG-CD1 4.29Å; E82-L89 HydrophobicContact CG-CG 4.12Å; E82-L89 PolarHBondContact OE1-N 3.15Å; E82-R484 VanDerWaalsContact CD-NH2 3.34Å; E82-R484 IonicContact OE1-CZ 3.87Å; E82-R484 IonicContact OE1-NH1 3.11Å; E82-R484 IonicContact OE1-NH2 3.21Å; E82-R484 PolarHBondContact OE1-NH2 3.36Å; E82-R484 IonicContact OE2-CZ 3.27Å; E82-R484 VanDerWaalsContact OE2-CZ 3.26Å; E82-R484 IonicContact OE2-NH1 3.19Å; E82-R484 PolarHBondContact OE2-NH1 2.93Å; E82-R484 IonicContact OE2-NH2 2.96Å; E82-R484 PolarHBondContact OE2-NH2 3.37Å; E82-R539 WeakPolarHBondContact O-CD 3.14Å; E82-R539 PolarHBondContact O-NE 3.01Å; E82-R539 IonicContact OE2-NH2 2.96Å
83	R	94.6	Very high	94	Very high	8 Å²	8	25.2 Å²	25.2	3%	0.03	12%	0.123	C	C	.	.	H	α-helix	trans	-69.4	-44	179.7	-74.5	172.2	-171.1	118.8	3.4	113.7	G79 N80 Y81 S323 E535 S538 P540	G79-R83 VanDerWaalsContact O-CB 3.31Å; G79-R83 WeakPolarHBondContact O-CB 3.35Å; G79-R83 WeakPolarHBondContact O-CD 3.36Å; G79-R83 WeakPolarHBondContact O-CG 3.37Å; G79-R83 PolarHBondContact O-N 3.18Å; G79-R83 VanDerWaalsContact O-N 3.08Å; N80-R83 PolarHBondContact O-N 2.73Å; Y81-R83 VanDerWaalsContact C-N 3.29Å; Y81-R83 PolarHBondContact O-N 2.75Å; R83-S323 PolarHBondContact NH2-OG 2.74Å; R83-E535 PolarHBondContact NH2-O 3.37Å; R83-S538 WeakPolarHBondContact CG-O 3.26Å; R83-P540 VanDerWaalsContact O-CD 3.25Å; R83-P540 WeakPolarHBondContact O-CD 3.3Å
84	F	93.6	Very high	94.1	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.022	12%	0.116	C	C	.	.	H	α-helix	trans	-78.9	-43.7	-174.3	-87.4	-119.5	0	0	0	111.9	I25 N80 Y81 I257 P261 W292	I25-F84 HydrophobicContact CD1-CZ 4.35Å; N80-F84 WeakPolarHBondContact O-CB 3.36Å; N80-F84 VanDerWaalsContact O-CD2 3.28Å; N80-F84 WeakPolarHBondContact O-CD2 3.23Å; N80-F84 PolarHBondContact O-N 2.75Å; Y81-F84 PolarHBondContact O-N 3.29Å; F84-I257 HydrophobicContact CE2-CD1 3.89Å; F84-I257 HydrophobicContact CZ-CB 4.21Å; F84-I257 HydrophobicContact CZ-CD1 3.8Å; F84-I257 HydrophobicContact CZ-CG1 3.96Å; F84-P261 HydrophobicContact CE1-CG 4.42Å; F84-W292 HydrophobicContact CB-CH2 4.15Å; F84-W292 HydrophobicContact CB-CZ2 4.42Å; F84-W292 AromaticContact CD1-CH2 3.27Å; F84-W292 HydrophobicContact CD1-CH2 3.27Å; F84-W292 HydrophobicContact CD1-CZ2 4.2Å; F84-W292 AromaticContact CD1-CZ3 3.79Å; F84-W292 HydrophobicContact CD1-CZ3 3.79Å; F84-W292 HydrophobicContact CD2-CH2 4.23Å; F84-W292 AromaticContact CE1-CH2 3.58Å; F84-W292 HydrophobicContact CE1-CH2 3.58Å; F84-W292 AromaticContact CE1-CZ3 3.63Å; F84-W292 HydrophobicContact CE1-CZ3 3.63Å; F84-W292 HydrophobicContact CE2-CH2 4.47Å; F84-W292 AromaticContact CG-CH2 3.63Å; F84-W292 HydrophobicContact CG-CH2 3.63Å; F84-W292 HydrophobicContact CG-CZ2 4.37Å; F84-W292 HydrophobicContact CZ-CH2 4.17Å; F84-W292 HydrophobicContact CZ-CZ3 4.24Å; F84-W292 WeakPolarHBondContact O-CZ2 3.47Å
85	L	92.4	Very high	94.2	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-89.1	-14.6	-176.2	-69.7	79.9	0	0	0	112.1	K35 V41 Y81 I87	K35-L85 HydrophobicContact CD-CB 4.42Å; K35-L85 WeakPolarHBondContact CD-O 3.48Å; K35-L85 WeakPolarHBondContact CE-O 3.44Å; K35-L85 PolarHBondContact NZ-O 3.39Å; V41-L85 HydrophobicContact CB-CD2 3.97Å; V41-L85 HydrophobicContact CG1-CD2 3.62Å; Y81-L85 HydrophobicContact CD1-CD1 4.18Å; Y81-L85 WeakPolarHBondContact O-CB 3.26Å; Y81-L85 VanDerWaalsContact O-CD1 3.32Å; Y81-L85 WeakPolarHBondContact O-CD1 3.46Å; Y81-L85 PolarHBondContact O-N 2.94Å; L85-I87 HydrophobicContact CB-CB 4.47Å; L85-I87 HydrophobicContact CB-CD1 4.11Å; L85-I87 HydrophobicContact CB-CG1 4.01Å; L85-I87 HydrophobicContact CB-CG2 3.84Å; L85-I87 HydrophobicContact CD2-CD1 4.1Å
86	D	92.2	Very high	94.5	Very high	99 Å²	99	22.7 Å²	22.7	53%	0.529	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	56.2	-170.8	-160.6	30.2	0	0	0	111.4	K35 E82 R539	K35-D86 PolarHBondContact NZ-O 2.88Å; E82-D86 VanDerWaalsContact O-CA 3.26Å; E82-D86 WeakPolarHBondContact O-CA 3.46Å; E82-D86 PolarHBondContact O-N 3.01Å; D86-R539 IonicContact OD1-NE 3.92Å; D86-R539 PolarHBondContact OD1-NE 3.21Å; D86-R539 VanDerWaalsContact OD1-NE 3.11Å
87	I	94.3	Very high	95	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	11%	0.108	C	C	.	.			trans	-121.6	167.5	177.7	61.9	177.2	0	0	0	109.6	E82 L85 L89 V140 D141 R539	E82-I87 WeakPolarHBondContact CG-O 3.23Å; L85-I87 HydrophobicContact CB-CB 4.47Å; L85-I87 HydrophobicContact CB-CD1 4.11Å; L85-I87 HydrophobicContact CB-CG1 4.01Å; L85-I87 HydrophobicContact CB-CG2 3.84Å; L85-I87 HydrophobicContact CD2-CD1 4.1Å; I87-L89 HydrophobicContact CD1-CD2 3.61Å; I87-L89 HydrophobicContact CD1-CG 4.06Å; I87-L89 HydrophobicContact CG1-CD2 4.31Å; I87-L89 HydrophobicContact CG1-CG 4.33Å; I87-V140 HydrophobicContact CB-CB 4.28Å; I87-V140 HydrophobicContact CB-CG2 4.06Å; I87-V140 HydrophobicContact CD1-CG2 4.27Å; I87-V140 HydrophobicContact CG2-CG2 4.05Å; I87-D141 WeakPolarHBondContact CG2-OD1 3.48Å; I87-R539 PolarHBondContact O-NH2 3.42Å
88	R	94.9	Very high	95.4	Very high	79 Å²	79	20.3 Å²	20.3	30%	0.298	10%	0.101	S	C	.	.			trans	-119.5	112.9	171.5	-58.3	-156.7	-175.6	-134.2	0.3	110.4	D69 E82 V140	D69-R88 IonicContact OD1-NH1 2.77Å; D69-R88 PolarHBondContact OD1-NH1 2.9Å; D69-R88 WeakPolarHBondContact OD2-CD 3.49Å; D69-R88 IonicContact OD2-CZ 3.18Å; D69-R88 IonicContact OD2-NE 2.99Å; D69-R88 IonicContact OD2-NH1 3.97Å; D69-R88 PolarHBondContact OD2-NH1 3.41Å; E82-R88 WeakPolarHBondContact OE1-CA 3.37Å; R88-V140 PolarHBondContact N-O 3.27Å; R88-V140 WeakPolarHBondContact O-CB 3.32Å
89	L	96.8	Very high	95.6	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	11%	0.106	C	C	.	.			trans	-88.8	159.6	-179.6	-63.5	177.1	0	0	0	110.7	L68 L78 E82 I87 N93 V140	L68-L89 HydrophobicContact CD1-CB 4.36Å; L68-L89 HydrophobicContact CD2-CB 4.13Å; L78-L89 HydrophobicContact CB-CD1 4.32Å; L78-L89 HydrophobicContact CD2-CD1 4.07Å; L78-L89 HydrophobicContact CG-CD1 4.13Å; E82-L89 HydrophobicContact CG-CB 4.44Å; E82-L89 HydrophobicContact CG-CD1 4.29Å; E82-L89 HydrophobicContact CG-CG 4.12Å; E82-L89 PolarHBondContact OE1-N 3.15Å; I87-L89 HydrophobicContact CD1-CD2 3.61Å; I87-L89 HydrophobicContact CD1-CG 4.06Å; I87-L89 HydrophobicContact CG1-CD2 4.31Å; I87-L89 HydrophobicContact CG1-CG 4.33Å; L89-N93 HydrophobicContact CB-CB 4.15Å; L89-N93 HydrophobicContact CD2-CB 4.1Å; L89-V140 HydrophobicContact CD2-CG1 4.15Å
90	T	96.5	Very high	95.8	Very high	37 Å²	37	21.7 Å²	21.7	23%	0.227	11%	0.107	C	C	.	.			trans	-109	163.7	173.2	71.5	0	0	0	0	110.3	L68 D70 D92 N93	L68-T90 VanDerWaalsContact CD1-O 3.25Å; L68-T90 WeakPolarHBondContact CD1-O 3.08Å; D70-T90 WeakPolarHBondContact OD2-CB 3.36Å; T90-D92 PolarHBondContact O-N 2.77Å; T90-N93 PolarHBondContact N-OD1 2.96Å; T90-N93 VanDerWaalsContact O-CB 3.31Å; T90-N93 WeakPolarHBondContact O-CB 3.29Å; T90-N93 PolarHBondContact O-N 2.88Å; T90-N93 PolarHBondContact O-OD1 3.38Å; T90-N93 PolarHBondContact OG1-OD1 3.37Å
91	K	96.1	Very high	96	Very high	100 Å²	100	25 Å²	25	44%	0.435	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-57.4	-20.8	178.5	74.4	-167	175.2	-174.5	0	114	D70 K99	D70-K91 PolarHBondContact OD1-N 3.39Å; D70-K91 WeakPolarHBondContact OD2-CB 3.48Å; D70-K91 VanDerWaalsContact OD2-CG 3.28Å; D70-K91 WeakPolarHBondContact OD2-CG 3.47Å; D70-K91 PolarHBondContact OD2-N 3.3Å; K91-K99 PolarHBondContact O-NZ 3.05Å
92	D	96.7	Very high	96.2	Very high	47 Å²	47	28.9 Å²	28.9	25%	0.251	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-86.4	-10.9	179.2	-68.8	-16.7	0	0	0	113	T90 N94 W131 Q135	T90-D92 PolarHBondContact O-N 2.77Å; D92-N94 PolarHBondContact O-N 2.93Å; D92-W131 HydrophobicContact CB-CZ2 3.87Å; D92-W131 PolarHBondContact O-NE1 3.2Å; D92-Q135 HydrophobicContact CB-CG 4.12Å; D92-Q135 PolarHBondContact OD2-NE2 3.4Å
93	N	97.8	Very high	96.2	Very high	1 Å²	1	32 Å²	32	1%	0.005	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-71.6	-16.3	167.4	-65.8	91.8	0	0	0	112.3	S43 I44 K45 L89 T90	S43-N93 PolarHBondContact O-ND2 3.2Å; I44-N93 WeakPolarHBondContact CA-O 3.26Å; K45-N93 PolarHBondContact N-O 3.4Å; L89-N93 HydrophobicContact CB-CB 4.15Å; L89-N93 HydrophobicContact CD2-CB 4.1Å; T90-N93 PolarHBondContact N-OD1 2.96Å; T90-N93 VanDerWaalsContact O-CB 3.31Å; T90-N93 WeakPolarHBondContact O-CB 3.29Å; T90-N93 PolarHBondContact O-N 2.88Å; T90-N93 PolarHBondContact O-OD1 3.38Å; T90-N93 PolarHBondContact OG1-OD1 3.37Å
94	N	97.2	Very high	96.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.4	168.1	-178.9	-107.4	0	0	0	109.7	D47 V74 L78 D92 T96 K99	D47-N94 PolarHBondContact OD2-ND2 2.75Å; V74-N94 HydrophobicContact CB-CB 4.13Å; V74-N94 HydrophobicContact CG1-CB 3.65Å; L78-N94 HydrophobicContact CD1-CB 4.16Å; L78-N94 HydrophobicContact CD2-CB 3.82Å; D92-N94 PolarHBondContact O-N 2.93Å; N94-T96 WeakPolarHBondContact OD1-CG2 3.35Å; N94-K99 PolarHBondContact O-NZ 3.4Å
95	L	97.4	Very high	96.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	112.6	-179.6	-173.1	62.4	0	0	0	110.4	K45 I46 D47 I100 I128 W131	K45-L95 PolarHBondContact O-N 3.19Å; I46-L95 CarbonylContact C-O 3.57Å; I46-L95 VanDerWaalsContact CA-O 3.3Å; I46-L95 WeakPolarHBondContact CA-O 3.46Å; I46-L95 HydrophobicContact CD1-CD2 4.49Å; I46-L95 HydrophobicContact CG1-CB 4.19Å; I46-L95 HydrophobicContact CG1-CD2 4.31Å; D47-L95 PolarHBondContact N-O 2.97Å; L95-I100 HydrophobicContact CD1-CD1 3.59Å; L95-I100 HydrophobicContact CD1-CG1 3.58Å; L95-I100 HydrophobicContact CD2-CD1 4.23Å; L95-I100 HydrophobicContact CD2-CG1 4.2Å; L95-I100 HydrophobicContact CG-CD1 4.3Å; L95-I100 HydrophobicContact CG-CG1 3.99Å; L95-I128 HydrophobicContact CD2-CG2 4.27Å; L95-W131 HydrophobicContact CD1-CD2 3.7Å; L95-W131 HydrophobicContact CD1-CE3 4.3Å; L95-W131 HydrophobicContact CD1-CG 3.76Å; L95-W131 HydrophobicContact CD1-CZ2 4.38Å; L95-W131 HydrophobicContact CD2-CB 4.42Å; L95-W131 HydrophobicContact CD2-CG 4.32Å
96	T	97.5	Very high	96.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	160.6	177.9	78.6	0	0	0	0	111.7	D47 Y49 N51 I52 N94 G98 K99 I100	D47-T96 HydrophobicContact CB-CG2 4.15Å; D47-T96 VanDerWaalsContact O-CA 3.3Å; D47-T96 WeakPolarHBondContact O-CA 3.48Å; Y49-T96 HydrophobicContact CD2-CG2 4.37Å; Y49-T96 HydrophobicContact CE2-CG2 3.55Å; N51-T96 WeakPolarHBondContact O-CB 3.47Å; N51-T96 WeakPolarHBondContact O-CG2 3.35Å; N51-T96 PolarHBondContact O-OG1 3.12Å; I52-T96 PolarHBondContact O-OG1 2.96Å; N94-T96 WeakPolarHBondContact OD1-CG2 3.35Å; T96-G98 VanDerWaalsContact C-N 3.29Å; T96-G98 PolarHBondContact O-N 3.22Å; T96-G98 PolarHBondContact OG1-N 3.39Å; T96-K99 PolarHBondContact O-N 2.97Å; T96-K99 WeakPolarHBondContact OG1-CB 3.19Å; T96-K99 PolarHBondContact OG1-N 3.23Å; T96-I100 PolarHBondContact O-N 2.95Å
97	T	97.4	Very high	97	Very high	12 Å²	12	36.8 Å²	36.8	7%	0.074	17%	0.172	C	C	.	.	H	α-helix	trans	-56.9	-44.9	172.1	-59.4	0	0	0	0	111	D47 P48 Y49 K99 I100 Y101 F166	D47-T97 PolarHBondContact O-N 3.28Å; P48-T97 VanDerWaalsContact C-OG1 3.28Å; P48-T97 PolarHBondContact O-OG1 2.71Å; Y49-T97 WeakPolarHBondContact O-CB 3.35Å; Y49-T97 PolarHBondContact O-N 3.48Å; T97-K99 VanDerWaalsContact C-N 3.33Å; T97-K99 PolarHBondContact O-N 2.58Å; T97-I100 PolarHBondContact O-N 3.5Å; T97-Y101 HydrophobicContact CG2-CD1 4.05Å; T97-Y101 HydrophobicContact CG2-CD2 4.38Å; T97-Y101 HydrophobicContact CG2-CE1 3.84Å; T97-Y101 HydrophobicContact CG2-CE2 4.17Å; T97-Y101 HydrophobicContact CG2-CG 4.33Å; T97-Y101 WeakPolarHBondContact O-CB 3.4Å; T97-Y101 WeakPolarHBondContact O-CD1 3.46Å; T97-Y101 PolarHBondContact O-N 3.06Å; T97-F166 WeakPolarHBondContact OG1-CE2 3.39Å
98	G	97.3	Very high	97.2	Very high	8 Å²	8	40.9 Å²	40.9	8%	0.082	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-41.1	177.5	0	0	0	0	0	113.6	I50 T96 Y101 Q102	I50-G98 WeakPolarHBondContact O-CA 3.49Å; I50-G98 PolarHBondContact O-N 3.21Å; T96-G98 VanDerWaalsContact C-N 3.29Å; T96-G98 PolarHBondContact O-N 3.22Å; T96-G98 PolarHBondContact OG1-N 3.39Å; G98-Y101 PolarHBondContact O-N 3.5Å; G98-Q102 WeakPolarHBondContact O-CB 2.95Å; G98-Q102 PolarHBondContact O-N 2.91Å
99	K	97.3	Very high	97.2	Very high	29 Å²	29	46.4 Å²	46.4	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-44.8	179.6	-168.4	173.4	-68.2	173.8	0	111.5	I52 K91 N94 T96 T97 Y103 W131	I52-K99 WeakPolarHBondContact O-CE 3.45Å; K91-K99 PolarHBondContact O-NZ 3.05Å; N94-K99 PolarHBondContact O-NZ 3.4Å; T96-K99 PolarHBondContact O-N 2.97Å; T96-K99 WeakPolarHBondContact OG1-CB 3.19Å; T96-K99 PolarHBondContact OG1-N 3.23Å; T97-K99 VanDerWaalsContact C-N 3.33Å; T97-K99 PolarHBondContact O-N 2.58Å; K99-Y103 VanDerWaalsContact O-CB 3.27Å; K99-Y103 WeakPolarHBondContact O-CB 3.47Å; K99-Y103 PolarHBondContact O-N 3.27Å; K99-W131 HydrophobicContact CD-CH2 3.8Å; K99-W131 HydrophobicContact CD-CZ2 3.68Å; K99-W131 HydrophobicContact CG-CH2 3.92Å; K99-W131 HydrophobicContact CG-CZ2 4.28Å
100	I	98	Very high	97.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-66.9	-43.9	175.9	-71.3	-64.8	0	0	0	111.5	L95 T96 T97 Y103 V104 I124 A127 I128 W131	L95-I100 HydrophobicContact CD1-CD1 3.59Å; L95-I100 HydrophobicContact CD1-CG1 3.58Å; L95-I100 HydrophobicContact CD2-CD1 4.23Å; L95-I100 HydrophobicContact CD2-CG1 4.2Å; L95-I100 HydrophobicContact CG-CD1 4.3Å; L95-I100 HydrophobicContact CG-CG1 3.99Å; T96-I100 PolarHBondContact O-N 2.95Å; T97-I100 PolarHBondContact O-N 3.5Å; I100-Y103 WeakPolarHBondContact O-CB 3.36Å; I100-Y103 PolarHBondContact O-N 2.95Å; I100-V104 PolarHBondContact O-N 2.94Å; I100-I124 HydrophobicContact CG2-CD1 4.05Å; I100-I124 HydrophobicContact CG2-CG2 3.86Å; I100-A127 HydrophobicContact CD1-CB 4.45Å; I100-A127 HydrophobicContact CG2-CB 4.41Å; I100-I128 HydrophobicContact CD1-CG1 4.08Å; I100-I128 HydrophobicContact CG1-CG1 3.95Å; I100-I128 HydrophobicContact CG2-CG1 4.18Å; I100-W131 HydrophobicContact CD1-CB 4.43Å; I100-W131 HydrophobicContact CD1-CD2 4.48Å; I100-W131 HydrophobicContact CD1-CE3 4.12Å
101	Y	97.8	Very high	97.2	Very high	93 Å²	93	54.3 Å²	54.3	37%	0.365	25%	0.254	S	S	.	.	H	α-helix	trans	-65.8	-45.5	-177.7	-80.6	27.6	0	0	0	110.5	T97 G98 Y103 V104 I105 I124	T97-Y101 HydrophobicContact CG2-CD1 4.05Å; T97-Y101 HydrophobicContact CG2-CD2 4.38Å; T97-Y101 HydrophobicContact CG2-CE1 3.84Å; T97-Y101 HydrophobicContact CG2-CE2 4.17Å; T97-Y101 HydrophobicContact CG2-CG 4.33Å; T97-Y101 WeakPolarHBondContact O-CB 3.4Å; T97-Y101 WeakPolarHBondContact O-CD1 3.46Å; T97-Y101 PolarHBondContact O-N 3.06Å; G98-Y101 PolarHBondContact O-N 3.5Å; Y101-Y103 VanDerWaalsContact C-N 3.3Å; Y101-Y103 PolarHBondContact O-N 3.15Å; Y101-V104 PolarHBondContact O-N 3.12Å; Y101-I105 WeakPolarHBondContact O-CB 3.47Å; Y101-I105 WeakPolarHBondContact O-CD1 3.22Å; Y101-I105 WeakPolarHBondContact O-CG1 3.35Å; Y101-I105 PolarHBondContact O-N 3.42Å; Y101-I124 HydrophobicContact CD1-CD1 3.75Å; Y101-I124 HydrophobicContact CE1-CD1 3.86Å; Y101-I124 HydrophobicContact CE1-CG1 4.34Å; Y101-I124 HydrophobicContact CE1-CG2 4.06Å
102	Q	97.8	Very high	97.2	Very high	82 Å²	82	53.5 Å²	53.5	38%	0.383	26%	0.255	S	S	.	.	H	α-helix	trans	-59.1	-42.3	174.1	-173.6	64.8	67.4	0	0	111.6	I52 G98 N106	I52-Q102 HydrophobicContact CD1-CG 4.49Å; G98-Q102 WeakPolarHBondContact O-CB 2.95Å; G98-Q102 PolarHBondContact O-N 2.91Å; Q102-N106 PolarHBondContact NE2-ND2 3.43Å; Q102-N106 PolarHBondContact NE2-OD1 3.47Å; Q102-N106 VanDerWaalsContact O-CB 3.28Å; Q102-N106 WeakPolarHBondContact O-CB 3.15Å; Q102-N106 PolarHBondContact O-N 3.21Å; Q102-N106 PolarHBondContact O-ND2 3.31Å
103	Y	97.3	Very high	97.1	Very high	64 Å²	64	53.3 Å²	53.3	25%	0.251	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-48.4	176.9	178.2	-104.7	0	0	0	112	K99 I100 Y101 N106 K107 A127 W131	K99-Y103 VanDerWaalsContact O-CB 3.27Å; K99-Y103 WeakPolarHBondContact O-CB 3.47Å; K99-Y103 PolarHBondContact O-N 3.27Å; I100-Y103 WeakPolarHBondContact O-CB 3.36Å; I100-Y103 PolarHBondContact O-N 2.95Å; Y101-Y103 VanDerWaalsContact C-N 3.3Å; Y101-Y103 PolarHBondContact O-N 3.15Å; Y103-N106 PolarHBondContact O-N 2.79Å; Y103-K107 HydrophobicContact CD1-CD 4.32Å; Y103-K107 HydrophobicContact CE1-CD 3.67Å; Y103-K107 HydrophobicContact CE1-CG 4.47Å; Y103-K107 HydrophobicContact CE2-CD 4.43Å; Y103-K107 WeakPolarHBondContact O-CG 3.2Å; Y103-K107 PolarHBondContact O-N 3.34Å; Y103-K107 VanDerWaalsContact O-N 3.07Å; Y103-K107 WeakPolarHBondContact OH-CE 3.1Å; Y103-K107 PolarHBondContact OH-NZ 3.18Å; Y103-A127 HydrophobicContact CD1-CB 4.25Å; Y103-A127 HydrophobicContact CE1-CB 4.38Å; Y103-W131 HydrophobicContact CD2-CZ3 4.36Å; Y103-W131 HydrophobicContact CG-CZ3 4.41Å
104	V	98	Very high	97	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.03	29%	0.289	C	S	.	.	H	α-helix	trans	-69.3	-41.3	-178.9	169.1	0	0	0	0	112.1	I100 Y101 N106 K107 E108 Y113 V118 I124 A127	I100-V104 PolarHBondContact O-N 2.94Å; Y101-V104 PolarHBondContact O-N 3.12Å; V104-N106 VanDerWaalsContact C-N 3.32Å; V104-N106 PolarHBondContact O-N 3.43Å; V104-K107 PolarHBondContact O-N 3.03Å; V104-E108 PolarHBondContact O-N 2.86Å; V104-Y113 HydrophobicContact CG1-CE2 4.31Å; V104-V118 HydrophobicContact CG1-CG1 3.56Å; V104-I124 HydrophobicContact CB-CD1 3.92Å; V104-I124 HydrophobicContact CG1-CD1 3.99Å; V104-I124 HydrophobicContact CG2-CD1 3.85Å; V104-A127 HydrophobicContact CG2-CB 3.68Å
105	I	97.8	Very high	96.7	Very high	91 Å²	91	64.5 Å²	64.5	47%	0.467	33%	0.329	S	S	.	.	H	α-helix	trans	-59.8	-44.4	174.4	-69.5	165.3	0	0	0	110.2	Y101 K107 E108 R109	Y101-I105 WeakPolarHBondContact O-CB 3.47Å; Y101-I105 WeakPolarHBondContact O-CD1 3.22Å; Y101-I105 WeakPolarHBondContact O-CG1 3.35Å; Y101-I105 PolarHBondContact O-N 3.42Å; I105-K107 VanDerWaalsContact C-N 3.34Å; I105-K107 PolarHBondContact O-N 3.45Å; I105-E108 PolarHBondContact O-N 3.48Å; I105-R109 WeakPolarHBondContact O-CG 3.34Å; I105-R109 PolarHBondContact O-N 3.32Å
106	N	97.6	Very high	96.5	Very high	72 Å²	72	71.9 Å²	71.9	39%	0.385	36%	0.361	S	S	.	.	H	α-helix	trans	-63.8	-37.9	178.5	-73.3	-17.1	0	0	0	112.7	Q102 Y103 V104 K110	Q102-N106 PolarHBondContact NE2-ND2 3.43Å; Q102-N106 PolarHBondContact NE2-OD1 3.47Å; Q102-N106 VanDerWaalsContact O-CB 3.28Å; Q102-N106 WeakPolarHBondContact O-CB 3.15Å; Q102-N106 PolarHBondContact O-N 3.21Å; Q102-N106 PolarHBondContact O-ND2 3.31Å; Y103-N106 PolarHBondContact O-N 2.79Å; V104-N106 VanDerWaalsContact C-N 3.32Å; V104-N106 PolarHBondContact O-N 3.43Å; N106-K110 VanDerWaalsContact O-CG 3.32Å; N106-K110 WeakPolarHBondContact O-CG 3.33Å; N106-K110 PolarHBondContact O-N 2.77Å
107	K	96.7	Very high	96.4	Very high	47 Å²	47	77.2 Å²	77.2	20%	0.204	39%	0.394	C	S	.	.	H	α-helix	trans	-66.3	-39.6	174.3	-76	-169.2	129.8	174.6	0	112.4	Y103 V104 I105 K110 G111 D112 Y113	Y103-K107 HydrophobicContact CD1-CD 4.32Å; Y103-K107 HydrophobicContact CE1-CD 3.67Å; Y103-K107 HydrophobicContact CE1-CG 4.47Å; Y103-K107 HydrophobicContact CE2-CD 4.43Å; Y103-K107 WeakPolarHBondContact O-CG 3.2Å; Y103-K107 PolarHBondContact O-N 3.34Å; Y103-K107 VanDerWaalsContact O-N 3.07Å; Y103-K107 WeakPolarHBondContact OH-CE 3.1Å; Y103-K107 PolarHBondContact OH-NZ 3.18Å; V104-K107 PolarHBondContact O-N 3.03Å; I105-K107 VanDerWaalsContact C-N 3.34Å; I105-K107 PolarHBondContact O-N 3.45Å; K107-K110 PolarHBondContact O-N 2.96Å; K107-G111 PolarHBondContact O-N 2.9Å; K107-D112 HydrophobicContact CB-CB 4.08Å; K107-D112 WeakPolarHBondContact CE-OD2 3.41Å; K107-D112 VanDerWaalsContact CG-OD2 3.3Å; K107-D112 WeakPolarHBondContact CG-OD2 3.28Å; K107-D112 WeakPolarHBondContact O-CB 3.19Å; K107-D112 PolarHBondContact O-N 3.31Å; K107-D112 VanDerWaalsContact O-N 3.09Å; K107-Y113 HydrophobicContact CB-CE2 3.67Å
108	E	97.3	Very high	96.4	Very high	88 Å²	88	78.8 Å²	78.8	41%	0.411	40%	0.403	S	S	.	.	H	α-helix	trans	-60	-48.8	175.9	179	-85.5	158.7	0	0	111.3	V104 I105 K110 G111 Y113 V118	V104-E108 PolarHBondContact O-N 2.86Å; I105-E108 PolarHBondContact O-N 3.48Å; E108-K110 VanDerWaalsContact C-N 3.25Å; E108-K110 PolarHBondContact O-N 2.74Å; E108-G111 PolarHBondContact O-N 3.24Å; E108-Y113 HydrophobicContact CB-CD2 4.02Å; E108-Y113 HydrophobicContact CB-CE2 4.15Å; E108-V118 HydrophobicContact CB-CG2 4.22Å; E108-V118 HydrophobicContact CG-CG2 4.06Å
109	R	96.3	Very high	96.4	Very high	195 Å²	195	84.1 Å²	84.1	74%	0.736	43%	0.426	S	S	*	.	H	α-helix	trans	-63.8	-27	177.6	-64.2	-59.1	-63.5	174.5	-2.8	114.2	I105 G111	I105-R109 WeakPolarHBondContact O-CG 3.34Å; I105-R109 PolarHBondContact O-N 3.32Å; R109-G111 VanDerWaalsContact C-N 3.31Å
110	K	96.4	Very high	96.4	Very high	166 Å²	166	86 Å²	86	72%	0.722	44%	0.439	S	S	*	.	H	α-helix	trans	-77.9	-15.2	174.6	-73.9	175.7	-178.4	-176.7	0	113.5	N106 K107 E108	N106-K110 VanDerWaalsContact O-CG 3.32Å; N106-K110 WeakPolarHBondContact O-CG 3.33Å; N106-K110 PolarHBondContact O-N 2.77Å; K107-K110 PolarHBondContact O-N 2.96Å; E108-K110 VanDerWaalsContact C-N 3.25Å; E108-K110 PolarHBondContact O-N 2.74Å
111	G	95.5	Very high	96.4	Very high	39 Å²	39	89 Å²	89	40%	0.402	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	14.5	-177.2	0	0	0	0	0	114.4	K107 E108 R109 Y113 L114	K107-G111 PolarHBondContact O-N 2.9Å; E108-G111 PolarHBondContact O-N 3.24Å; R109-G111 VanDerWaalsContact C-N 3.31Å; G111-Y113 PolarHBondContact O-N 3.16Å; G111-Y113 VanDerWaalsContact O-N 3.12Å; G111-L114 PolarHBondContact O-N 2.73Å
112	D	96.2	Very high	96.3	Very high	84 Å²	84	87.2 Å²	87.2	45%	0.449	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.4	-175.7	-67.3	-3	0	0	0	112.9	K107	K107-D112 HydrophobicContact CB-CB 4.08Å; K107-D112 WeakPolarHBondContact CE-OD2 3.41Å; K107-D112 VanDerWaalsContact CG-OD2 3.3Å; K107-D112 WeakPolarHBondContact CG-OD2 3.28Å; K107-D112 WeakPolarHBondContact O-CB 3.19Å; K107-D112 PolarHBondContact O-N 3.31Å; K107-D112 VanDerWaalsContact O-N 3.09Å
113	Y	95.8	Very high	96.3	Very high	43 Å²	43	85 Å²	85	17%	0.169	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	11.2	177.5	-56.5	-68.4	0	0	0	113.9	V104 K107 E108 G111 G115 K116 V118 H123	V104-Y113 HydrophobicContact CG1-CE2 4.31Å; K107-Y113 HydrophobicContact CB-CE2 3.67Å; E108-Y113 HydrophobicContact CB-CD2 4.02Å; E108-Y113 HydrophobicContact CB-CE2 4.15Å; G111-Y113 PolarHBondContact O-N 3.16Å; G111-Y113 VanDerWaalsContact O-N 3.12Å; Y113-G115 PolarHBondContact O-N 3.27Å; Y113-K116 WeakPolarHBondContact O-CB 3.25Å; Y113-K116 PolarHBondContact O-N 2.99Å; Y113-V118 HydrophobicContact CD2-CG2 3.33Å; Y113-V118 HydrophobicContact CE2-CG1 4.43Å; Y113-V118 HydrophobicContact CE2-CG2 3.78Å; Y113-V118 HydrophobicContact CG-CG2 3.76Å; Y113-H123 AromaticContact CD1-CD2 3.76Å; Y113-H123 AromaticContact CE1-CD2 3.82Å
114	L	95.1	Very high	96.4	Very high	155 Å²	155	82.6 Å²	82.6	81%	0.812	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	36.5	176	-54.4	177	0	0	0	113.7	G111 K116	G111-L114 PolarHBondContact O-N 2.73Å; L114-K116 PolarHBondContact O-N 3.01Å
115	G	90.6	Very high	96.4	Very high	81 Å²	81	82.4 Å²	82.4	84%	0.835	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	6.6	-180	0	0	0	0	0	115.3	Y113	Y113-G115 PolarHBondContact O-N 3.27Å
116	K	94.1	Very high	96.4	Very high	155 Å²	155	80.7 Å²	80.7	67%	0.674	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-73.3	149.2	173.3	-64.9	-178.4	179.6	178.4	0	111.1	Y113 L114 V118	Y113-K116 WeakPolarHBondContact O-CB 3.25Å; Y113-K116 PolarHBondContact O-N 2.99Å; L114-K116 PolarHBondContact O-N 3.01Å; K116-V118 PolarHBondContact O-N 3.27Å
117	T	95.3	Very high	96.5	Very high	112 Å²	112	77.4 Å²	77.4	69%	0.687	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-64.4	122.7	174.6	-52.1	0	0	0	0	111.1	Q119 H123	T117-Q119 HydrophobicContact CG2-CG 4.49Å; T117-H123 PolarHBondContact O-CE1 2.82Å; T117-H123 VanDerWaalsContact O-CE1 3.31Å
118	V	96.8	Very high	96.5	Very high	44 Å²	44	75.2 Å²	75.2	27%	0.267	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-83.4	138.1	175.6	-176.5	0	0	0	0	109.8	V104 E108 Y113 K116 H123	V104-V118 HydrophobicContact CG1-CG1 3.56Å; E108-V118 HydrophobicContact CB-CG2 4.22Å; E108-V118 HydrophobicContact CG-CG2 4.06Å; Y113-V118 HydrophobicContact CD2-CG2 3.33Å; Y113-V118 HydrophobicContact CE2-CG1 4.43Å; Y113-V118 HydrophobicContact CE2-CG2 3.78Å; Y113-V118 HydrophobicContact CG-CG2 3.76Å; K116-V118 PolarHBondContact O-N 3.27Å; V118-H123 HydrophobicContact CG1-CB 3.69Å
119	Q	97.4	Very high	96.6	Very high	120 Å²	120	71.4 Å²	71.4	56%	0.561	39%	0.385	S	S	*	.			trans	-140.1	162.9	-176.6	-66.1	-175.9	-6.6	0	0	110.2	T117 V121 H123	T117-Q119 HydrophobicContact CG2-CG 4.49Å; Q119-V121 VanDerWaalsContact C-N 3.32Å; Q119-V121 WeakPolarHBondContact CB-O 3.39Å; Q119-V121 PolarHBondContact O-N 2.92Å; Q119-H123 PolarHBondContact N-ND1 3.17Å; Q119-H123 VanDerWaalsContact O-CB 3.29Å; Q119-H123 WeakPolarHBondContact O-CB 3.5Å; Q119-H123 PolarHBondContact O-N 3.46Å; Q119-H123 PolarHBondContact O-ND1 2.86Å
120	V	97.3	Very high	96.6	Very high	68 Å²	68	66 Å²	66	41%	0.412	37%	0.368	S	S	.	.	I	π-helix	trans	-56.8	-47.3	175.8	179.3	0	0	0	0	111	I124 T125 P165	V120-I124 HydrophobicContact CG1-CB 4.26Å; V120-I124 VanDerWaalsContact O-CB 3.28Å; V120-I124 WeakPolarHBondContact O-CB 3.43Å; V120-I124 PolarHBondContact O-N 3.13Å; V120-T125 PolarHBondContact O-N 2.77Å; V120-P165 HydrophobicContact CG1-CB 4.16Å; V120-P165 HydrophobicContact CG1-CG 4.37Å
121	V	97.2	Very high	96.7	Very high	65 Å²	65	59 Å²	59	39%	0.394	34%	0.337	S	S	.	.	I	π-helix	trans	-108.9	126.9	172.7	-176.3	0	0	0	0	108.8	Q119 T125 E168	Q119-V121 VanDerWaalsContact C-N 3.32Å; Q119-V121 WeakPolarHBondContact CB-O 3.39Å; Q119-V121 PolarHBondContact O-N 2.92Å; V121-T125 HydrophobicContact CG2-CG2 4.13Å; V121-E168 HydrophobicContact CG2-CG 3.96Å
122	P	96.7	Very high	96.9	Very high	55 Å²	55	57.1 Å²	57.1	36%	0.357	32%	0.318	S	S	.	.	I	π-helix	cis	-92.1	-8.5	-0.3	37.9	-36.8	0	0	0	114	I124 T125 D126	P122-I124 PolarHBondContact O-N 3.35Å; P122-T125 WeakPolarHBondContact CA-OG1 3.15Å; P122-T125 CarbonylContact O-C 3.54Å; P122-T125 PolarHBondContact O-N 2.86Å; P122-T125 PolarHBondContact O-OG1 2.96Å; P122-D126 WeakPolarHBondContact CB-OD2 3.47Å; P122-D126 VanDerWaalsContact O-CB 3.25Å; P122-D126 WeakPolarHBondContact O-CB 3.5Å; P122-D126 PolarHBondContact O-N 3.21Å
123	H	97.9	Very high	96.9	Very high	36 Å²	36	56.3 Å²	56.3	17%	0.167	31%	0.312	C	S	.	.	I	π-helix	trans	-65.8	-40.1	-162.4	-48.1	82.5	0	0	0	114.6	Y113 T117 V118 Q119 A127	Y113-H123 AromaticContact CD1-CD2 3.76Å; Y113-H123 AromaticContact CE1-CD2 3.82Å; T117-H123 PolarHBondContact O-CE1 2.82Å; T117-H123 VanDerWaalsContact O-CE1 3.31Å; V118-H123 HydrophobicContact CG1-CB 3.69Å; Q119-H123 PolarHBondContact N-ND1 3.17Å; Q119-H123 VanDerWaalsContact O-CB 3.29Å; Q119-H123 WeakPolarHBondContact O-CB 3.5Å; Q119-H123 PolarHBondContact O-N 3.46Å; Q119-H123 PolarHBondContact O-ND1 2.86Å; H123-A127 WeakPolarHBondContact O-CB 3.48Å; H123-A127 PolarHBondContact O-N 2.92Å; H123-A127 VanDerWaalsContact O-N 3.14Å
124	I	98.3	Very high	96.9	Very high	14 Å²	14	59.1 Å²	59.1	7%	0.072	32%	0.322	C	S	.	.	I	π-helix	trans	-72.1	-43.1	174.6	-63.4	-71.9	0	0	0	109.8	I100 Y101 V104 V120 P122 D126 A127 I128 P165	I100-I124 HydrophobicContact CG2-CD1 4.05Å; I100-I124 HydrophobicContact CG2-CG2 3.86Å; Y101-I124 HydrophobicContact CD1-CD1 3.75Å; Y101-I124 HydrophobicContact CE1-CD1 3.86Å; Y101-I124 HydrophobicContact CE1-CG1 4.34Å; Y101-I124 HydrophobicContact CE1-CG2 4.06Å; V104-I124 HydrophobicContact CB-CD1 3.92Å; V104-I124 HydrophobicContact CG1-CD1 3.99Å; V104-I124 HydrophobicContact CG2-CD1 3.85Å; V120-I124 HydrophobicContact CG1-CB 4.26Å; V120-I124 VanDerWaalsContact O-CB 3.28Å; V120-I124 WeakPolarHBondContact O-CB 3.43Å; V120-I124 PolarHBondContact O-N 3.13Å; P122-I124 PolarHBondContact O-N 3.35Å; I124-D126 VanDerWaalsContact C-N 3.33Å; I124-D126 PolarHBondContact O-N 3.3Å; I124-A127 PolarHBondContact O-N 3.44Å; I124-I128 HydrophobicContact CG2-CD1 3.92Å; I124-I128 WeakPolarHBondContact O-CG1 3.33Å; I124-I128 PolarHBondContact O-N 3.39Å; I124-P165 HydrophobicContact CG2-CB 4.3Å
125	T	98.4	Very high	97.1	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-35.8	-179.9	53.6	0	0	0	0	112.7	V120 V121 P122 Q129 E168 A169 Q172	V120-T125 PolarHBondContact O-N 2.77Å; V121-T125 HydrophobicContact CG2-CG2 4.13Å; P122-T125 WeakPolarHBondContact CA-OG1 3.15Å; P122-T125 CarbonylContact O-C 3.54Å; P122-T125 PolarHBondContact O-N 2.86Å; P122-T125 PolarHBondContact O-OG1 2.96Å; T125-Q129 VanDerWaalsContact O-CG 3.23Å; T125-Q129 WeakPolarHBondContact O-CG 3.17Å; T125-Q129 PolarHBondContact O-N 3.27Å; T125-Q129 VanDerWaalsContact O-N 3.13Å; T125-Q129 PolarHBondContact O-NE2 2.9Å; T125-Q129 VanDerWaalsContact O-NE2 3.11Å; T125-E168 HydrophobicContact CG2-CB 4.29Å; T125-E168 HydrophobicContact CG2-CG 3.99Å; T125-A169 HydrophobicContact CG2-CB 4.05Å; T125-Q172 PolarHBondContact OG1-OE1 3.03Å
126	D	98.1	Very high	97.4	Very high	56 Å²	56	48.1 Å²	48.1	30%	0.299	25%	0.245	S	C	.	.	H	α-helix	trans	-69.2	-44.4	175	-74.4	-16.7	0	0	0	110.4	P122 I124 I128 Q129 E130	P122-D126 WeakPolarHBondContact CB-OD2 3.47Å; P122-D126 VanDerWaalsContact O-CB 3.25Å; P122-D126 WeakPolarHBondContact O-CB 3.5Å; P122-D126 PolarHBondContact O-N 3.21Å; I124-D126 VanDerWaalsContact C-N 3.33Å; I124-D126 PolarHBondContact O-N 3.3Å; D126-I128 VanDerWaalsContact C-N 3.31Å; D126-I128 PolarHBondContact O-N 3.19Å; D126-Q129 PolarHBondContact O-N 2.6Å; D126-E130 WeakPolarHBondContact O-CB 3.49Å; D126-E130 VanDerWaalsContact O-CG 3.31Å; D126-E130 WeakPolarHBondContact O-CG 3.25Å; D126-E130 PolarHBondContact O-N 3.5Å
127	A	98.4	Very high	97.5	Very high	3 Å²	3	44.4 Å²	44.4	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-40.5	176.4	0	0	0	0	0	112.2	I100 Y103 V104 H123 I124 W131	I100-A127 HydrophobicContact CD1-CB 4.45Å; I100-A127 HydrophobicContact CG2-CB 4.41Å; Y103-A127 HydrophobicContact CD1-CB 4.25Å; Y103-A127 HydrophobicContact CE1-CB 4.38Å; V104-A127 HydrophobicContact CG2-CB 3.68Å; H123-A127 WeakPolarHBondContact O-CB 3.48Å; H123-A127 PolarHBondContact O-N 2.92Å; H123-A127 VanDerWaalsContact O-N 3.14Å; I124-A127 PolarHBondContact O-N 3.44Å; A127-W131 WeakPolarHBondContact O-CB 3.26Å; A127-W131 PolarHBondContact O-N 3.25Å
128	I	98.6	Very high	97.6	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-49.7	174.4	-68.2	161.1	0	0	0	110.6	L95 I100 I124 D126 E130 W131 V132 F166 A169	L95-I128 HydrophobicContact CD2-CG2 4.27Å; I100-I128 HydrophobicContact CD1-CG1 4.08Å; I100-I128 HydrophobicContact CG1-CG1 3.95Å; I100-I128 HydrophobicContact CG2-CG1 4.18Å; I124-I128 HydrophobicContact CG2-CD1 3.92Å; I124-I128 WeakPolarHBondContact O-CG1 3.33Å; I124-I128 PolarHBondContact O-N 3.39Å; D126-I128 VanDerWaalsContact C-N 3.31Å; D126-I128 PolarHBondContact O-N 3.19Å; I128-E130 PolarHBondContact O-N 3.28Å; I128-W131 WeakPolarHBondContact O-CB 3.15Å; I128-W131 PolarHBondContact O-N 3.49Å; I128-V132 WeakPolarHBondContact O-CG2 3.09Å; I128-V132 PolarHBondContact O-N 2.87Å; I128-F166 HydrophobicContact CD1-CD1 3.59Å; I128-F166 HydrophobicContact CD1-CE1 3.82Å; I128-F166 HydrophobicContact CD1-CG 4.37Å; I128-F166 HydrophobicContact CG1-CD1 4.13Å; I128-F166 HydrophobicContact CG1-CE1 4.1Å; I128-F166 HydrophobicContact CG2-CD1 4.22Å; I128-A169 HydrophobicContact CB-CB 3.95Å; I128-A169 HydrophobicContact CD1-CB 4.01Å; I128-A169 HydrophobicContact CG2-CB 3.8Å
129	Q	98.3	Very high	97.6	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.033	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-44.8	-179.6	-70.1	171.8	60.7	0	0	111.9	T125 D126 W131 V132 M133 F173	T125-Q129 VanDerWaalsContact O-CG 3.23Å; T125-Q129 WeakPolarHBondContact O-CG 3.17Å; T125-Q129 PolarHBondContact O-N 3.27Å; T125-Q129 VanDerWaalsContact O-N 3.13Å; T125-Q129 PolarHBondContact O-NE2 2.9Å; T125-Q129 VanDerWaalsContact O-NE2 3.11Å; D126-Q129 PolarHBondContact O-N 2.6Å; Q129-W131 VanDerWaalsContact C-N 3.3Å; Q129-W131 PolarHBondContact O-N 3.16Å; Q129-V132 PolarHBondContact O-N 3.02Å; Q129-M133 WeakPolarHBondContact O-CB 3.32Å; Q129-M133 VanDerWaalsContact O-CG 3.24Å; Q129-M133 WeakPolarHBondContact O-CG 3.4Å; Q129-M133 PolarHBondContact O-N 3.42Å; Q129-F173 HydrophobicContact CB-CD2 4.03Å; Q129-F173 HydrophobicContact CG-CB 4.12Å; Q129-F173 HydrophobicContact CG-CD2 3.77Å; Q129-F173 HydrophobicContact CG-CG 4.35Å
130	E	97.6	Very high	97.5	Very high	83 Å²	83	37.1 Å²	37.1	39%	0.388	19%	0.194	S	C	.	.	H	α-helix	trans	-61.4	-38.8	176.1	-74.5	177.1	-174.9	0	0	112.1	D126 I128 R134	D126-E130 WeakPolarHBondContact O-CB 3.49Å; D126-E130 VanDerWaalsContact O-CG 3.31Å; D126-E130 WeakPolarHBondContact O-CG 3.25Å; D126-E130 PolarHBondContact O-N 3.5Å; I128-E130 PolarHBondContact O-N 3.28Å; E130-R134 WeakPolarHBondContact O-CB 3.39Å; E130-R134 PolarHBondContact O-N 3.07Å; E130-R134 VanDerWaalsContact O-N 3.11Å
131	W	98.3	Very high	97.2	Very high	17 Å²	17	35.2 Å²	35.2	6%	0.064	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-53.3	176.1	-162.9	-73.1	0	0	0	111	D92 L95 K99 I100 Y103 A127 I128 Q129 M133 R134 Q135	D92-W131 HydrophobicContact CB-CZ2 3.87Å; D92-W131 PolarHBondContact O-NE1 3.2Å; L95-W131 HydrophobicContact CD1-CD2 3.7Å; L95-W131 HydrophobicContact CD1-CE3 4.3Å; L95-W131 HydrophobicContact CD1-CG 3.76Å; L95-W131 HydrophobicContact CD1-CZ2 4.38Å; L95-W131 HydrophobicContact CD2-CB 4.42Å; L95-W131 HydrophobicContact CD2-CG 4.32Å; K99-W131 HydrophobicContact CD-CH2 3.8Å; K99-W131 HydrophobicContact CD-CZ2 3.68Å; K99-W131 HydrophobicContact CG-CH2 3.92Å; K99-W131 HydrophobicContact CG-CZ2 4.28Å; I100-W131 HydrophobicContact CD1-CB 4.43Å; I100-W131 HydrophobicContact CD1-CD2 4.48Å; I100-W131 HydrophobicContact CD1-CE3 4.12Å; Y103-W131 HydrophobicContact CD2-CZ3 4.36Å; Y103-W131 HydrophobicContact CG-CZ3 4.41Å; A127-W131 WeakPolarHBondContact O-CB 3.26Å; A127-W131 PolarHBondContact O-N 3.25Å; I128-W131 WeakPolarHBondContact O-CB 3.15Å; I128-W131 PolarHBondContact O-N 3.49Å; Q129-W131 VanDerWaalsContact C-N 3.3Å; Q129-W131 PolarHBondContact O-N 3.16Å; W131-M133 PolarHBondContact O-N 3.31Å; W131-R134 PolarHBondContact O-N 3.09Å; W131-Q135 HydrophobicContact CG-CG 4.45Å; W131-Q135 WeakPolarHBondContact O-CB 3.44Å; W131-Q135 WeakPolarHBondContact O-CG 3.47Å; W131-Q135 PolarHBondContact O-N 3.22Å
132	V	98.1	Very high	96.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.3	-47	179.9	169.2	0	0	0	0	111.1	Y10 I44 I128 Q129 R134 Q135 A136 I152 F170 F173	Y10-V132 HydrophobicContact CD1-CG1 4.21Å; Y10-V132 HydrophobicContact CE1-CG1 3.94Å; I44-V132 HydrophobicContact CD1-CB 4.42Å; I44-V132 HydrophobicContact CD1-CG1 4.21Å; I128-V132 WeakPolarHBondContact O-CG2 3.09Å; I128-V132 PolarHBondContact O-N 2.87Å; Q129-V132 PolarHBondContact O-N 3.02Å; V132-R134 VanDerWaalsContact C-N 3.3Å; V132-R134 PolarHBondContact O-N 3.3Å; V132-Q135 PolarHBondContact O-N 3.29Å; V132-A136 WeakPolarHBondContact O-CB 3.33Å; V132-A136 PolarHBondContact O-N 3.03Å; V132-I152 HydrophobicContact CG1-CD1 3.53Å; V132-F170 HydrophobicContact CG2-CE1 4.44Å; V132-F170 HydrophobicContact CG2-CZ 4.15Å; V132-F173 HydrophobicContact CG1-CZ 4.16Å
133	M	96.9	Very high	96.5	Very high	67 Å²	67	42.2 Å²	42.2	33%	0.33	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-37.2	179.8	-71.8	178.3	71.2	0	0	112.7	Q129 W131 L137 F173 K176	Q129-M133 WeakPolarHBondContact O-CB 3.32Å; Q129-M133 VanDerWaalsContact O-CG 3.24Å; Q129-M133 WeakPolarHBondContact O-CG 3.4Å; Q129-M133 PolarHBondContact O-N 3.42Å; W131-M133 PolarHBondContact O-N 3.31Å; M133-L137 WeakPolarHBondContact O-CD1 3.37Å; M133-L137 VanDerWaalsContact O-CG 3.31Å; M133-L137 WeakPolarHBondContact O-CG 3.39Å; M133-F173 HydrophobicContact CG-CE2 3.58Å; M133-F173 HydrophobicContact CG-CZ 4.04Å; M133-F173 HydrophobicContact SD-CE2 4Å; M133-K176 HydrophobicContact SD-CD 4.23Å
134	R	96.9	Very high	96.3	Very high	103 Å²	103	42.7 Å²	42.7	39%	0.389	22%	0.223	S	C	.	.	H	α-helix	trans	-73.7	-48.3	-179.7	-162.7	-166.8	-34.9	117.8	11.6	111.1	E130 W131 V132 A136 L137	E130-R134 WeakPolarHBondContact O-CB 3.39Å; E130-R134 PolarHBondContact O-N 3.07Å; E130-R134 VanDerWaalsContact O-N 3.11Å; W131-R134 PolarHBondContact O-N 3.09Å; V132-R134 VanDerWaalsContact C-N 3.3Å; V132-R134 PolarHBondContact O-N 3.3Å; R134-A136 VanDerWaalsContact C-N 3.35Å; R134-A136 PolarHBondContact O-N 3.27Å; R134-L137 PolarHBondContact O-N 3.11Å
135	Q	97.6	Very high	96.1	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.019	24%	0.242	C	C	.	.	H	α-helix	trans	-69.2	-32.9	-176	-66.9	-56.1	-32.9	0	0	112.6	I44 D92 W131 V132 L137 I138	I44-Q135 HydrophobicContact CD1-CB 3.82Å; I44-Q135 HydrophobicContact CG1-CB 4.45Å; D92-Q135 HydrophobicContact CB-CG 4.12Å; D92-Q135 PolarHBondContact OD2-NE2 3.4Å; W131-Q135 HydrophobicContact CG-CG 4.45Å; W131-Q135 WeakPolarHBondContact O-CB 3.44Å; W131-Q135 WeakPolarHBondContact O-CG 3.47Å; W131-Q135 PolarHBondContact O-N 3.22Å; V132-Q135 PolarHBondContact O-N 3.29Å; Q135-L137 PolarHBondContact O-N 3.05Å; Q135-I138 PolarHBondContact O-N 2.93Å; Q135-I138 VanDerWaalsContact O-N 3.16Å; Q135-I138 VanDerWaalsContact OE1-CD1 3.23Å
136	A	97.4	Very high	95.9	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.5	176.5	0	0	0	0	0	113.3	M8 Y10 V132 R134 C150	M8-A136 HydrophobicContact CE-CB 4.09Å; M8-A136 WeakPolarHBondContact CE-O 3.42Å; M8-A136 HydrophobicContact CG-CB 4.25Å; M8-A136 HydrophobicContact SD-CB 4.27Å; Y10-A136 HydrophobicContact CE1-CB 3.69Å; V132-A136 WeakPolarHBondContact O-CB 3.33Å; V132-A136 PolarHBondContact O-N 3.03Å; R134-A136 VanDerWaalsContact C-N 3.35Å; R134-A136 PolarHBondContact O-N 3.27Å; A136-C150 HydrophobicContact CB-CB 3.8Å
137	L	96.7	Very high	95.8	Very high	77 Å²	77	47.5 Å²	47.5	40%	0.403	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-12.1	-178.3	-57.6	170.7	0	0	0	113	M8 M133 R134 Q135 P139 E146	M8-L137 HydrophobicContact CE-CD2 3.93Å; M133-L137 WeakPolarHBondContact O-CD1 3.37Å; M133-L137 VanDerWaalsContact O-CG 3.31Å; M133-L137 WeakPolarHBondContact O-CG 3.39Å; R134-L137 PolarHBondContact O-N 3.11Å; Q135-L137 PolarHBondContact O-N 3.05Å; L137-P139 WeakPolarHBondContact O-CD 3.5Å; L137-E146 HydrophobicContact CD2-CG 4.24Å; L137-E146 WeakPolarHBondContact CD2-OE1 3.31Å
138	I	96.6	Very high	95.7	Very high	61 Å²	61	49.3 Å²	49.3	31%	0.313	25%	0.254	S	S	.	.	S	Bend	trans	-74.9	125.6	-178.7	-56.5	-167.8	0	0	0	108.6	Q135 V140	Q135-I138 PolarHBondContact O-N 2.93Å; Q135-I138 VanDerWaalsContact O-N 3.16Å; Q135-I138 VanDerWaalsContact OE1-CD1 3.23Å; I138-V140 PolarHBondContact O-N 2.96Å
139	P	96.1	Very high	95.7	Very high	56 Å²	56	49.2 Å²	49.2	36%	0.364	25%	0.254	S	S	.	.			trans	-59.5	134.1	173.8	-24.2	34.9	0	0	0	111.8	L137 G144 L145	L137-P139 WeakPolarHBondContact O-CD 3.5Å; P139-G144 VanDerWaalsContact CG-O 3.23Å; P139-G144 WeakPolarHBondContact CG-O 3.42Å; P139-L145 WeakPolarHBondContact CB-O 3.41Å
140	V	95.5	Very high	95.7	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.042	25%	0.252	C	S	.	.			trans	-121.7	-4.6	178.1	-63.6	0	0	0	0	112.8	T42 I87 R88 L89 I138	T42-V140 WeakPolarHBondContact OG1-CG1 3.38Å; I87-V140 HydrophobicContact CB-CB 4.28Å; I87-V140 HydrophobicContact CB-CG2 4.06Å; I87-V140 HydrophobicContact CD1-CG2 4.27Å; I87-V140 HydrophobicContact CG2-CG2 4.05Å; R88-V140 PolarHBondContact N-O 3.27Å; R88-V140 WeakPolarHBondContact O-CB 3.32Å; L89-V140 HydrophobicContact CD2-CG1 4.15Å; I138-V140 PolarHBondContact O-N 2.96Å
141	D	92.6	Very high	95.8	Very high	27 Å²	27	45 Å²	45	14%	0.144	23%	0.234	C	C	.	.	S	Bend	trans	-95.9	157.5	173.7	-79.8	-42.5	0	0	0	110.4	K35 H40 I87 D143 G144	K35-D141 IonicContact NZ-OD1 3.57Å; K35-D141 PolarHBondContact NZ-OD1 3.43Å; K35-D141 IonicContact NZ-OD2 3.98Å; H40-D141 IonicContact ND1-OD2 2.75Å; H40-D141 PolarHBondContact ND1-OD2 3.42Å; I87-D141 WeakPolarHBondContact CG2-OD1 3.48Å; D141-D143 WeakPolarHBondContact CB-OD1 3.23Å; D141-D143 PolarHBondContact O-N 3.13Å; D141-G144 PolarHBondContact O-N 3.05Å
142	E	87.6	Confident	95.8	Very high	180 Å²	180	44.2 Å²	44.2	84%	0.841	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.1	-178.6	-64.5	-174.1	164.5	0	0	113.6	G144	E142-G144 PolarHBondContact O-N 3.31Å
143	D	91.8	Very high	95.8	Very high	87 Å²	87	44.3 Å²	44.3	47%	0.465	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-7.7	177.6	60	22.8	0	0	0	114.1	H40 D141 L145	H40-D143 IonicContact CE1-OD2 3.51Å; H40-D143 PolarHBondContact CE1-OD2 3.44Å; H40-D143 IonicContact ND1-OD2 3.36Å; H40-D143 IonicContact NE2-OD2 3.65Å; D141-D143 WeakPolarHBondContact CB-OD1 3.23Å; D141-D143 PolarHBondContact O-N 3.13Å; D143-L145 HydrophobicContact CB-CD1 4.45Å; D143-L145 HydrophobicContact CB-CG 4.28Å; D143-L145 PolarHBondContact O-N 3.03Å; D143-L145 WeakPolarHBondContact OD1-CB 3.38Å; D143-L145 PolarHBondContact OD1-N 3.5Å
144	G	92.1	Very high	95.8	Very high	47 Å²	47	41.2 Å²	41.2	49%	0.485	22%	0.216	S	C	.	.			trans	68.4	16.9	177.7	0	0	0	0	0	114.5	P139 D141 E142	P139-G144 VanDerWaalsContact CG-O 3.23Å; P139-G144 WeakPolarHBondContact CG-O 3.42Å; D141-G144 PolarHBondContact O-N 3.05Å; E142-G144 PolarHBondContact O-N 3.31Å
145	L	93.9	Very high	95.6	Very high	91 Å²	91	36.5 Å²	36.5	48%	0.476	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-81	145.9	-179.4	-63.9	178.4	0	0	0	112.6	P139 D143	P139-L145 WeakPolarHBondContact CB-O 3.41Å; D143-L145 HydrophobicContact CB-CD1 4.45Å; D143-L145 HydrophobicContact CB-CG 4.28Å; D143-L145 PolarHBondContact O-N 3.03Å; D143-L145 WeakPolarHBondContact OD1-CB 3.38Å; D143-L145 PolarHBondContact OD1-N 3.5Å
146	E	95.1	Very high	95.3	Very high	75 Å²	75	37.4 Å²	37.4	35%	0.35	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-63.3	126.9	175.2	-170.9	-176.7	143.7	0	0	109.4	K5 L137	K5-E146 WeakPolarHBondContact CE-OE2 2.98Å; K5-E146 IonicContact NZ-OE1 3.17Å; K5-E146 IonicContact NZ-OE2 3.71Å; K5-E146 PolarHBondContact NZ-OE2 2.96Å; L137-E146 HydrophobicContact CD2-CG 4.24Å; L137-E146 WeakPolarHBondContact CD2-OE1 3.31Å
147	P	96.7	Very high	95.1	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.032	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-60.8	153.1	178.8	-22.5	33.1	0	0	0	112.5	M8 T42	M8-P147 HydrophobicContact CE-CB 4.14Å; M8-P147 WeakPolarHBondContact CE-O 3.32Å; T42-P147 HydrophobicContact CG2-CB 3.86Å; T42-P147 HydrophobicContact CG2-CG 3.97Å
148	Q	96.5	Very high	94.8	Very high	40 Å²	40	35.7 Å²	35.7	19%	0.187	20%	0.203	C	C	.	.	S	Bend	trans	-101.8	-27.7	176	-64.3	173.9	-82.8	0	0	112	K9 H40	K9-Q148 PolarHBondContact N-O 3.46Å; H40-Q148 PolarHBondContact O-N 3.39Å
149	V	97.8	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.1	179.1	-172.1	0	0	0	0	110.1	K9 I11 L34 L39 H40 V41 T42 L279	K9-V149 HydrophobicContact CB-CG2 4.32Å; K9-V149 CarbonylContact O-C 3.53Å; K9-V149 WeakPolarHBondContact O-CA 3.42Å; I11-V149 HydrophobicContact CD1-CG1 3.84Å; I11-V149 HydrophobicContact CG1-CG1 4.08Å; L34-V149 HydrophobicContact CD1-CB 4.42Å; L34-V149 HydrophobicContact CD1-CG1 3.88Å; L34-V149 HydrophobicContact CD1-CG2 4.41Å; L39-V149 HydrophobicContact CD1-CG2 4.12Å; H40-V149 PolarHBondContact O-N 3.14Å; H40-V149 VanDerWaalsContact O-N 3.17Å; V41-V149 WeakPolarHBondContact CA-O 3.38Å; V41-V149 HydrophobicContact CG2-CB 4.46Å; T42-V149 PolarHBondContact N-O 3.33Å; V149-L279 HydrophobicContact CG2-CD1 4.45Å; V149-L279 HydrophobicContact CG2-CD2 3.76Å
150	C	98.4	Very high	94.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	113.9	170.2	-178.9	0	0	0	0	109.1	M8 K9 Y10 I11 T42 A136	M8-C150 HydrophobicContact SD-CB 4.01Å; K9-C150 PolarHBondContact O-N 3.08Å; Y10-C150 WeakPolarHBondContact CA-O 3.25Å; Y10-C150 HydrophobicContact CD1-CB 3.78Å; Y10-C150 HydrophobicContact CE1-CB 4.06Å; I11-C150 PolarHBondContact N-O 3.11Å; T42-C150 HydrophobicContact CG2-CB 3.78Å; A136-C150 HydrophobicContact CB-CB 3.8Å
151	V	98.6	Very high	94.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.9	168.9	-176.7	0	0	0	0	107.8	V13 A27 V30 V41 T42 S43 I44	V13-V151 HydrophobicContact CG2-CG1 4.25Å; A27-V151 HydrophobicContact CB-CG1 3.85Å; V30-V151 HydrophobicContact CG1-CG2 4.43Å; V41-V151 HydrophobicContact CG1-CG2 3.95Å; T42-V151 PolarHBondContact O-N 3.35Å; S43-V151 CarbonylContact C-O 3.55Å; S43-V151 VanDerWaalsContact CA-O 3.27Å; S43-V151 WeakPolarHBondContact CA-O 3.31Å; I44-V151 PolarHBondContact N-O 3.11Å
152	I	98.6	Very high	94.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.4	-179.3	-55.1	173.2	0	0	0	107.6	Y10 I11 L12 V13 I44 I46 V132 F170	Y10-I152 HydrophobicContact CD1-CD1 3.92Å; I11-I152 PolarHBondContact O-N 2.92Å; L12-I152 CarbonylContact C-O 3.6Å; L12-I152 WeakPolarHBondContact CA-O 3.43Å; L12-I152 HydrophobicContact CD1-CB 4.05Å; L12-I152 HydrophobicContact CD1-CG2 3.76Å; V13-I152 PolarHBondContact N-O 3.35Å; I44-I152 HydrophobicContact CB-CG1 4.47Å; I44-I152 CarbonylContact O-C 3.46Å; I44-I152 VanDerWaalsContact O-CA 3.29Å; I44-I152 WeakPolarHBondContact O-CA 3.36Å; I46-I152 HydrophobicContact CD1-CG2 3.78Å; I46-I152 HydrophobicContact CG1-CG2 4.28Å; V132-I152 HydrophobicContact CG1-CD1 3.53Å; I152-F170 HydrophobicContact CD1-CE1 3.75Å; I152-F170 HydrophobicContact CD1-CZ 4.11Å; I152-F170 HydrophobicContact CG2-CE1 4.43Å; I152-F170 HydrophobicContact CG2-CE2 4.47Å; I152-F170 HydrophobicContact CG2-CZ 3.81Å
153	E	98.1	Very high	94.6	Very high	2 Å²	2	36 Å²	36	1%	0.009	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.2	170.1	179.9	-172.5	177.7	0	0	110.2	K23 G24 A27 I44 K45 I46 Y81	K23-E153 HydrophobicContact CB-CG 4.16Å; K23-E153 WeakPolarHBondContact CB-OE1 3.49Å; K23-E153 WeakPolarHBondContact CE-OE1 3.44Å; G24-E153 WeakPolarHBondContact CA-OE2 3.25Å; G24-E153 PolarHBondContact N-OE1 2.88Å; A27-E153 HydrophobicContact CB-CB 4.43Å; I44-E153 PolarHBondContact O-N 3.2Å; K45-E153 HydrophobicContact CD-CB 3.79Å; K45-E153 VanDerWaalsContact CD-CD 3.46Å; K45-E153 HydrophobicContact CD-CG 3.78Å; K45-E153 WeakPolarHBondContact CD-OE2 3.36Å; K45-E153 WeakPolarHBondContact CE-OE1 3.28Å; K45-E153 WeakPolarHBondContact CE-OE2 2.9Å; I46-E153 PolarHBondContact N-O 2.78Å; Y81-E153 WeakPolarHBondContact OH-CB 3.46Å; Y81-E153 PolarHBondContact OH-OE2 3.02Å
154	L	97.1	Very high	94.8	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	109.2	166.3	-177.8	58.2	0	0	0	109.7	L12 V13 T14 K23 I46 F166 I167	L12-L154 HydrophobicContact CD1-CB 4.24Å; V13-L154 PolarHBondContact O-N 3.2Å; T14-L154 HydrophobicContact CG2-CB 4.45Å; T14-L154 HydrophobicContact CG2-CD2 4.31Å; K23-L154 WeakPolarHBondContact CD-O 2.96Å; K23-L154 VanDerWaalsContact CE-O 3.26Å; K23-L154 WeakPolarHBondContact CE-O 3.49Å; I46-L154 HydrophobicContact CB-CD1 4Å; I46-L154 HydrophobicContact CG2-CD1 3.64Å; L154-F166 HydrophobicContact CD1-CB 3.68Å; L154-F166 HydrophobicContact CD1-CD2 4.32Å; L154-F166 HydrophobicContact CD1-CG 4.03Å; L154-F166 HydrophobicContact CD2-CB 4.39Å; L154-I167 HydrophobicContact CD2-CD1 4.49Å; L154-I167 HydrophobicContact CD2-CG1 3.75Å
155	G	93.6	Very high	95.1	Very high	3 Å²	3	35 Å²	35	3%	0.031	19%	0.193	C	C	.	.			trans	-60.6	170.1	172.8	0	0	0	0	0	113.2	I46	I46-G155 VanDerWaalsContact O-CA 3.3Å; I46-G155 WeakPolarHBondContact O-CA 3.44Å; I46-G155 PolarHBondContact O-N 3.44Å
156	G	91	Very high	95.3	Very high	23 Å²	23	30.9 Å²	30.9	24%	0.237	17%	0.171	C	C	.	.	S	Bend	trans	71.3	-159.7	-176.5	0	0	0	0	0	113.8	K23	K23-G156 PolarHBondContact NZ-O 3.13Å
157	T	92.5	Very high	95.4	Very high	25 Å²	25	27.4 Å²	27.4	15%	0.153	16%	0.155	C	C	.	.			trans	-119.8	152.1	174.4	53.2	0	0	0	0	111.6	G16 I18 G159 D160 S163	G16-T157 VanDerWaalsContact O-CB 3.26Å; G16-T157 WeakPolarHBondContact O-CB 3.47Å; G16-T157 VanDerWaalsContact O-CG2 3.26Å; G16-T157 WeakPolarHBondContact O-CG2 3.45Å; I18-T157 VanDerWaalsContact C-CG2 3.45Å; T157-G159 PolarHBondContact O-N 2.82Å; T157-D160 WeakPolarHBondContact CB-OD2 3.47Å; T157-D160 PolarHBondContact N-OD2 3.14Å; T157-D160 VanDerWaalsContact N-OD2 3.08Å; T157-D160 VanDerWaalsContact O-OD2 3.11Å; T157-D160 VanDerWaalsContact OG1-CG 3.23Å; T157-D160 PolarHBondContact OG1-OD1 3.33Å; T157-D160 PolarHBondContact OG1-OD2 3Å; T157-S163 PolarHBondContact O-OG 3.29Å
158	V	91.3	Very high	95.4	Very high	17 Å²	17	29.5 Å²	29.5	10%	0.103	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	130.8	174.3	170.5	0	0	0	0	109.2	G15 I167 E210 L211 L214	G15-V158 WeakPolarHBondContact O-CB 3.26Å; G15-V158 WeakPolarHBondContact O-CG2 3.49Å; G15-V158 PolarHBondContact O-N 3.45Å; V158-I167 HydrophobicContact CB-CD1 4.38Å; V158-I167 HydrophobicContact CG1-CD1 4.08Å; V158-I167 HydrophobicContact CG2-CD1 4.07Å; V158-E210 HydrophobicContact CG1-CB 4.36Å; V158-E210 HydrophobicContact CG1-CG 4.05Å; V158-L211 HydrophobicContact CG1-CB 4.15Å; V158-L211 HydrophobicContact CG1-CD1 4.21Å; V158-L211 HydrophobicContact CG2-CD1 3.92Å; V158-L214 HydrophobicContact CG1-CD1 3.93Å
159	G	88.7	Confident	95.5	Very high	31 Å²	31	27.6 Å²	27.6	32%	0.32	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.4	-12.9	-178.3	0	0	0	0	0	113.4	T157	T157-G159 PolarHBondContact O-N 2.82Å
160	D	92.6	Very high	95.6	Very high	60 Å²	60	27.7 Å²	27.7	32%	0.321	16%	0.156	S	C	.	.			trans	-72.3	143.8	174.6	-61.7	-30.9	0	0	0	111	T157 E162 S163 M164	T157-D160 WeakPolarHBondContact CB-OD2 3.47Å; T157-D160 PolarHBondContact N-OD2 3.14Å; T157-D160 VanDerWaalsContact N-OD2 3.08Å; T157-D160 VanDerWaalsContact O-OD2 3.11Å; T157-D160 VanDerWaalsContact OG1-CG 3.23Å; T157-D160 PolarHBondContact OG1-OD1 3.33Å; T157-D160 PolarHBondContact OG1-OD2 3Å; D160-E162 PolarHBondContact O-N 3.24Å; D160-S163 PolarHBondContact O-N 2.75Å; D160-S163 PolarHBondContact O-OG 3.33Å; D160-M164 PolarHBondContact O-N 3.23Å
161	I	95	Very high	95.5	Very high	141 Å²	141	31.3 Å²	31.3	72%	0.723	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-55.3	-40.1	177.7	-61.9	174.1	0	0	0	110.8	S163 M164	I161-S163 VanDerWaalsContact C-N 3.25Å; I161-S163 PolarHBondContact O-N 2.84Å; I161-M164 HydrophobicContact CG1-CE 4.44Å; I161-M164 PolarHBondContact O-N 3.23Å
162	E	94.8	Very high	95.5	Very high	103 Å²	103	33 Å²	33	48%	0.481	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-65.6	-28.5	-178.9	-50.3	177.2	141.9	0	0	112.5	P48 D160	P48-E162 HydrophobicContact CB-CB 3.69Å; D160-E162 PolarHBondContact O-N 3.24Å
163	S	93	Very high	95.5	Very high	1 Å²	1	33 Å²	33	1%	0.007	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-82.6	-19.2	-178.4	75.6	0	0	0	0	113.6	T157 D160 I161 F166 I167	T157-S163 PolarHBondContact O-OG 3.29Å; D160-S163 PolarHBondContact O-N 2.75Å; D160-S163 PolarHBondContact O-OG 3.33Å; I161-S163 VanDerWaalsContact C-N 3.25Å; I161-S163 PolarHBondContact O-N 2.84Å; S163-F166 PolarHBondContact O-N 2.92Å; S163-F166 VanDerWaalsContact O-N 3.15Å; S163-I167 WeakPolarHBondContact O-CG1 3.39Å; S163-I167 PolarHBondContact O-N 2.92Å
164	M	95.6	Very high	95.3	Very high	95 Å²	95	35 Å²	35	47%	0.468	19%	0.187	S	C	.	.	H	α-helix	trans	-56.7	-46.2	-171.9	-64.8	-177.5	177.6	0	0	113.8	D160 I161 F166 I167 E168	D160-M164 PolarHBondContact O-N 3.23Å; I161-M164 HydrophobicContact CG1-CE 4.44Å; I161-M164 PolarHBondContact O-N 3.23Å; M164-F166 VanDerWaalsContact C-N 3.29Å; M164-F166 PolarHBondContact O-N 3.35Å; M164-I167 PolarHBondContact O-N 3.45Å; M164-E168 PolarHBondContact O-N 2.93Å; M164-E168 VanDerWaalsContact O-N 3.08Å
165	P	97.5	Very high	95.2	Very high	19 Å²	19	41.7 Å²	41.7	12%	0.123	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-36.1	179.6	-22.1	34.7	0	0	0	112.8	V120 I124 A169	V120-P165 HydrophobicContact CG1-CB 4.16Å; V120-P165 HydrophobicContact CG1-CG 4.37Å; I124-P165 HydrophobicContact CG2-CB 4.3Å; P165-A169 WeakPolarHBondContact O-CB 3.35Å; P165-A169 PolarHBondContact O-N 2.69Å
166	F	98.1	Very high	95.3	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-73.5	-42.8	-179.4	-61.2	-74.2	0	0	0	112	I46 P48 T97 I128 L154 S163 M164 E168 A169 F170	I46-F166 HydrophobicContact CD1-CD1 4.48Å; I46-F166 HydrophobicContact CG2-CD1 3.41Å; I46-F166 VanDerWaalsContact CG2-CD1 3.41Å; I46-F166 HydrophobicContact CG2-CD2 4.17Å; I46-F166 HydrophobicContact CG2-CE1 3.41Å; I46-F166 VanDerWaalsContact CG2-CE1 3.41Å; I46-F166 HydrophobicContact CG2-CE2 4.17Å; I46-F166 HydrophobicContact CG2-CG 3.8Å; I46-F166 HydrophobicContact CG2-CZ 3.8Å; P48-F166 HydrophobicContact CB-CE2 4.46Å; T97-F166 WeakPolarHBondContact OG1-CE2 3.39Å; I128-F166 HydrophobicContact CD1-CD1 3.59Å; I128-F166 HydrophobicContact CD1-CE1 3.82Å; I128-F166 HydrophobicContact CD1-CG 4.37Å; I128-F166 HydrophobicContact CG1-CD1 4.13Å; I128-F166 HydrophobicContact CG1-CE1 4.1Å; I128-F166 HydrophobicContact CG2-CD1 4.22Å; L154-F166 HydrophobicContact CD1-CB 3.68Å; L154-F166 HydrophobicContact CD1-CD2 4.32Å; L154-F166 HydrophobicContact CD1-CG 4.03Å; L154-F166 HydrophobicContact CD2-CB 4.39Å; S163-F166 PolarHBondContact O-N 2.92Å; S163-F166 VanDerWaalsContact O-N 3.15Å; M164-F166 VanDerWaalsContact C-N 3.29Å; M164-F166 PolarHBondContact O-N 3.35Å; F166-E168 VanDerWaalsContact C-N 3.34Å; F166-E168 PolarHBondContact O-N 3.11Å; F166-A169 WeakPolarHBondContact O-CB 3.41Å; F166-A169 PolarHBondContact O-N 2.66Å; F166-F170 WeakPolarHBondContact O-CD2 3.48Å; F166-F170 PolarHBondContact O-N 3.29Å
167	I	97.4	Very high	95.5	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-43.3	177.8	-64.9	173.7	0	0	0	110.3	L154 V158 S163 M164 A169 F170 R171 L214 L216	L154-I167 HydrophobicContact CD2-CD1 4.49Å; L154-I167 HydrophobicContact CD2-CG1 3.75Å; V158-I167 HydrophobicContact CB-CD1 4.38Å; V158-I167 HydrophobicContact CG1-CD1 4.08Å; V158-I167 HydrophobicContact CG2-CD1 4.07Å; S163-I167 WeakPolarHBondContact O-CG1 3.39Å; S163-I167 PolarHBondContact O-N 2.92Å; M164-I167 PolarHBondContact O-N 3.45Å; I167-A169 VanDerWaalsContact C-N 3.33Å; I167-A169 PolarHBondContact O-N 3.1Å; I167-F170 PolarHBondContact O-N 2.91Å; I167-R171 WeakPolarHBondContact O-CB 3.48Å; I167-R171 PolarHBondContact O-N 3.42Å; I167-L214 HydrophobicContact CD1-CD1 3.59Å; I167-L214 HydrophobicContact CG2-CB 3.52Å; I167-L214 HydrophobicContact CG2-CD1 4Å; I167-L214 HydrophobicContact CG2-CG 4.36Å; I167-L216 HydrophobicContact CG2-CD1 3.91Å; I167-L216 HydrophobicContact CG2-CG 4.34Å
168	E	98.2	Very high	95.5	Very high	50 Å²	50	50.7 Å²	50.7	23%	0.234	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-38.5	174.8	178.1	53.6	-151.9	0	0	111.9	V121 T125 M164 F166 F170 R171 Q172	V121-E168 HydrophobicContact CG2-CG 3.96Å; T125-E168 HydrophobicContact CG2-CB 4.29Å; T125-E168 HydrophobicContact CG2-CG 3.99Å; M164-E168 PolarHBondContact O-N 2.93Å; M164-E168 VanDerWaalsContact O-N 3.08Å; F166-E168 VanDerWaalsContact C-N 3.34Å; F166-E168 PolarHBondContact O-N 3.11Å; E168-F170 PolarHBondContact O-N 2.94Å; E168-R171 VanDerWaalsContact CD-NE 3.31Å; E168-R171 WeakPolarHBondContact O-CB 3.49Å; E168-R171 PolarHBondContact O-N 3Å; E168-R171 IonicContact OE1-CZ 2.88Å; E168-R171 IonicContact OE1-NE 2.91Å; E168-R171 PolarHBondContact OE1-NE 2.76Å; E168-R171 VanDerWaalsContact OE1-NE 3.11Å; E168-R171 IonicContact OE1-NH2 3.59Å; E168-R171 PolarHBondContact OE1-NH2 3.03Å; E168-R171 WeakPolarHBondContact OE2-CD 3.39Å; E168-R171 IonicContact OE2-CZ 2.63Å; E168-R171 IonicContact OE2-NE 3.95Å; E168-R171 PolarHBondContact OE2-NE 2.79Å; E168-R171 IonicContact OE2-NH2 3.7Å; E168-Q172 WeakPolarHBondContact O-CG 3.42Å; E168-Q172 PolarHBondContact O-N 3.26Å; E168-Q172 VanDerWaalsContact O-N 3.13Å; E168-Q172 PolarHBondContact OE1-NE2 3.03Å
169	A	98.4	Very high	95.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-45.9	174	0	0	0	0	0	111.8	T125 I128 P165 F166 I167 Q172 F173	T125-A169 HydrophobicContact CG2-CB 4.05Å; I128-A169 HydrophobicContact CB-CB 3.95Å; I128-A169 HydrophobicContact CD1-CB 4.01Å; I128-A169 HydrophobicContact CG2-CB 3.8Å; P165-A169 WeakPolarHBondContact O-CB 3.35Å; P165-A169 PolarHBondContact O-N 2.69Å; F166-A169 WeakPolarHBondContact O-CB 3.41Å; F166-A169 PolarHBondContact O-N 2.66Å; I167-A169 VanDerWaalsContact C-N 3.33Å; I167-A169 PolarHBondContact O-N 3.1Å; A169-Q172 PolarHBondContact O-N 3.2Å; A169-F173 VanDerWaalsContact O-CB 3.32Å; A169-F173 WeakPolarHBondContact O-CB 3.43Å; A169-F173 PolarHBondContact O-N 2.93Å
170	F	98.3	Very high	95.8	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-72.6	-29.4	178.2	-74.2	-65.3	0	0	0	113.7	L12 I46 V132 I152 F166 I167 E168 Q172 F173 Q174 F182 L216	L12-F170 HydrophobicContact CD1-CD1 4.37Å; L12-F170 HydrophobicContact CD1-CD2 3.95Å; L12-F170 HydrophobicContact CD1-CE1 4.3Å; L12-F170 HydrophobicContact CD1-CE2 3.88Å; L12-F170 HydrophobicContact CD1-CG 4.22Å; L12-F170 HydrophobicContact CD1-CZ 4.07Å; L12-F170 HydrophobicContact CD2-CB 3.83Å; L12-F170 HydrophobicContact CD2-CD1 4.27Å; L12-F170 HydrophobicContact CD2-CD2 4Å; L12-F170 HydrophobicContact CD2-CG 3.76Å; I46-F170 HydrophobicContact CD1-CE2 3.37Å; I46-F170 HydrophobicContact CD1-CZ 3.45Å; I46-F170 VanDerWaalsContact CD1-CZ 3.45Å; V132-F170 HydrophobicContact CG2-CE1 4.44Å; V132-F170 HydrophobicContact CG2-CZ 4.15Å; I152-F170 HydrophobicContact CD1-CE1 3.75Å; I152-F170 HydrophobicContact CD1-CZ 4.11Å; I152-F170 HydrophobicContact CG2-CE1 4.43Å; I152-F170 HydrophobicContact CG2-CE2 4.47Å; I152-F170 HydrophobicContact CG2-CZ 3.81Å; F166-F170 WeakPolarHBondContact O-CD2 3.48Å; F166-F170 PolarHBondContact O-N 3.29Å; I167-F170 PolarHBondContact O-N 2.91Å; E168-F170 PolarHBondContact O-N 2.94Å; F170-Q172 VanDerWaalsContact C-N 3.29Å; F170-Q172 PolarHBondContact O-N 3.37Å; F170-F173 HydrophobicContact CD1-CB 4.2Å; F170-F173 AromaticContact CD1-CD1 3.97Å; F170-F173 HydrophobicContact CD1-CD1 3.97Å; F170-F173 HydrophobicContact CD1-CG 4.32Å; F170-F173 HydrophobicContact CE1-CD1 4.28Å; F170-F173 WeakPolarHBondContact O-CB 3.25Å; F170-F173 PolarHBondContact O-N 2.92Å; F170-Q174 PolarHBondContact O-N 2.83Å; F170-Q174 VanDerWaalsContact O-N 3.1Å; F170-F182 HydrophobicContact CB-CZ 4.44Å; F170-F182 HydrophobicContact CD1-CE2 4.05Å; F170-F182 HydrophobicContact CD1-CZ 4.43Å; F170-L216 HydrophobicContact CB-CD1 4.25Å; F170-L216 HydrophobicContact CB-CD2 4.42Å
171	R	97.6	Very high	96	Very high	75 Å²	75	58.6 Å²	58.6	28%	0.283	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-40.6	171.5	-170.4	-156.3	67.3	73.8	2	111.1	I167 E168 Q174 F175 L214	I167-R171 WeakPolarHBondContact O-CB 3.48Å; I167-R171 PolarHBondContact O-N 3.42Å; E168-R171 VanDerWaalsContact CD-NE 3.31Å; E168-R171 WeakPolarHBondContact O-CB 3.49Å; E168-R171 PolarHBondContact O-N 3Å; E168-R171 IonicContact OE1-CZ 2.88Å; E168-R171 IonicContact OE1-NE 2.91Å; E168-R171 PolarHBondContact OE1-NE 2.76Å; E168-R171 VanDerWaalsContact OE1-NE 3.11Å; E168-R171 IonicContact OE1-NH2 3.59Å; E168-R171 PolarHBondContact OE1-NH2 3.03Å; E168-R171 WeakPolarHBondContact OE2-CD 3.39Å; E168-R171 IonicContact OE2-CZ 2.63Å; E168-R171 IonicContact OE2-NE 3.95Å; E168-R171 PolarHBondContact OE2-NE 2.79Å; E168-R171 IonicContact OE2-NH2 3.7Å; R171-Q174 WeakPolarHBondContact O-CG 3.37Å; R171-Q174 PolarHBondContact O-NE2 3.14Å; R171-F175 WeakPolarHBondContact O-CD2 3.42Å; R171-F175 WeakPolarHBondContact O-CE2 3.28Å; R171-L214 WeakPolarHBondContact CD-O 3.44Å
172	Q	98	Very high	96.1	Very high	38 Å²	38	52.1 Å²	52.1	18%	0.178	23%	0.231	C	C	.	.	H	α-helix	trans	-73.8	-40.7	173.5	-65	173.2	14	0	0	111.4	T125 E168 A169 F170 Q174 F175 K176	T125-Q172 PolarHBondContact OG1-OE1 3.03Å; E168-Q172 WeakPolarHBondContact O-CG 3.42Å; E168-Q172 PolarHBondContact O-N 3.26Å; E168-Q172 VanDerWaalsContact O-N 3.13Å; E168-Q172 PolarHBondContact OE1-NE2 3.03Å; A169-Q172 PolarHBondContact O-N 3.2Å; F170-Q172 VanDerWaalsContact C-N 3.29Å; F170-Q172 PolarHBondContact O-N 3.37Å; Q172-Q174 VanDerWaalsContact C-N 3.35Å; Q172-Q174 PolarHBondContact O-N 2.83Å; Q172-F175 PolarHBondContact O-N 3.22Å; Q172-F175 VanDerWaalsContact O-N 3.13Å; Q172-K176 PolarHBondContact O-N 2.63Å
173	F	97.9	Very high	96.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.5	-41.4	-176	-168.4	-115.3	0	0	0	113.7	Y10 Q129 V132 M133 A169 F170 F175 K176 V177 F182	Y10-F173 HydrophobicContact CD1-CE1 4.01Å; Y10-F173 HydrophobicContact CD1-CZ 4.17Å; Y10-F173 AromaticContact CD2-CE1 3.78Å; Y10-F173 HydrophobicContact CD2-CE1 3.78Å; Y10-F173 AromaticContact CD2-CZ 3.99Å; Y10-F173 HydrophobicContact CD2-CZ 3.99Å; Y10-F173 HydrophobicContact CE1-CE1 4.28Å; Y10-F173 AromaticContact CE1-CZ 3.96Å; Y10-F173 HydrophobicContact CE1-CZ 3.96Å; Y10-F173 HydrophobicContact CE2-CE1 4.09Å; Y10-F173 AromaticContact CE2-CZ 3.8Å; Y10-F173 HydrophobicContact CE2-CZ 3.8Å; Y10-F173 AromaticContact CG-CE1 3.73Å; Y10-F173 HydrophobicContact CG-CE1 3.73Å; Y10-F173 HydrophobicContact CG-CZ 4.17Å; Y10-F173 AromaticContact CZ-CZ 3.77Å; Q129-F173 HydrophobicContact CB-CD2 4.03Å; Q129-F173 HydrophobicContact CG-CB 4.12Å; Q129-F173 HydrophobicContact CG-CD2 3.77Å; Q129-F173 HydrophobicContact CG-CG 4.35Å; V132-F173 HydrophobicContact CG1-CZ 4.16Å; M133-F173 HydrophobicContact CG-CE2 3.58Å; M133-F173 HydrophobicContact CG-CZ 4.04Å; M133-F173 HydrophobicContact SD-CE2 4Å; A169-F173 VanDerWaalsContact O-CB 3.32Å; A169-F173 WeakPolarHBondContact O-CB 3.43Å; A169-F173 PolarHBondContact O-N 2.93Å; F170-F173 HydrophobicContact CD1-CB 4.2Å; F170-F173 AromaticContact CD1-CD1 3.97Å; F170-F173 HydrophobicContact CD1-CD1 3.97Å; F170-F173 HydrophobicContact CD1-CG 4.32Å; F170-F173 HydrophobicContact CE1-CD1 4.28Å; F170-F173 WeakPolarHBondContact O-CB 3.25Å; F170-F173 PolarHBondContact O-N 2.92Å; F173-F175 PolarHBondContact O-N 3.47Å; F173-F175 VanDerWaalsContact O-N 3.16Å; F173-K176 WeakPolarHBondContact O-CA 3.5Å; F173-K176 WeakPolarHBondContact O-CB 3.43Å; F173-K176 PolarHBondContact O-N 2.92Å; F173-V177 HydrophobicContact CD1-CG1 4.28Å; F173-V177 HydrophobicContact CD1-CG2 4.31Å; F173-V177 HydrophobicContact CD2-CG1 4.15Å; F173-V177 HydrophobicContact CE1-CG1 3.77Å; F173-V177 HydrophobicContact CE1-CG2 4.2Å; F173-V177 HydrophobicContact CE2-CG1 3.61Å; F173-V177 HydrophobicContact CG-CG1 4.46Å; F173-V177 HydrophobicContact CZ-CG1 3.42Å; F173-V177 VanDerWaalsContact CZ-CG1 3.42Å; F173-V177 WeakPolarHBondContact O-CG2 3.13Å; F173-V177 PolarHBondContact O-N 2.78Å; F173-F182 AromaticContact CD1-CD2 3.89Å; F173-F182 HydrophobicContact CD1-CD2 3.89Å; F173-F182 AromaticContact CD1-CE2 3.94Å; F173-F182 HydrophobicContact CD1-CE2 3.94Å; F173-F182 HydrophobicContact CE1-CD2 4.25Å
174	Q	95.6	Very high	96.5	Very high	44 Å²	44	47.2 Å²	47.2	21%	0.206	21%	0.208	C	C	.	.	H	α-helix	trans	-57.1	-32.3	179.7	73.9	-170	-37.5	0	0	112.8	F170 R171 Q172 K178 F182 G215	F170-Q174 PolarHBondContact O-N 2.83Å; F170-Q174 VanDerWaalsContact O-N 3.1Å; R171-Q174 WeakPolarHBondContact O-CG 3.37Å; R171-Q174 PolarHBondContact O-NE2 3.14Å; Q172-Q174 VanDerWaalsContact C-N 3.35Å; Q172-Q174 PolarHBondContact O-N 2.83Å; Q174-K178 CarbonylContact O-C 3.27Å; Q174-K178 WeakPolarHBondContact O-CA 3.31Å; Q174-K178 PolarHBondContact O-N 3.28Å; Q174-F182 HydrophobicContact CB-CB 4.49Å; Q174-F182 HydrophobicContact CB-CD1 3.76Å; Q174-F182 HydrophobicContact CB-CE1 4.13Å; Q174-F182 HydrophobicContact CB-CG 4.09Å; Q174-G215 PolarHBondContact NE2-O 3.38Å; Q174-G215 VanDerWaalsContact NE2-O 3.15Å
175	F	95	Very high	96.7	Very high	142 Å²	142	42.8 Å²	42.8	62%	0.623	19%	0.187	S	C	*	.	H	α-helix	trans	-77.8	-35.5	176.2	-58.7	-67	0	0	0	111.7	R171 Q172 F173	R171-F175 WeakPolarHBondContact O-CD2 3.42Å; R171-F175 WeakPolarHBondContact O-CE2 3.28Å; Q172-F175 PolarHBondContact O-N 3.22Å; Q172-F175 VanDerWaalsContact O-N 3.13Å; F173-F175 PolarHBondContact O-N 3.47Å; F173-F175 VanDerWaalsContact O-N 3.16Å
176	K	94.6	Very high	96.7	Very high	109 Å²	109	41.9 Å²	41.9	47%	0.474	18%	0.181	S	C	.	.	H	α-helix	trans	-65.6	-44	178.8	-169.1	173.7	-175	173.6	0	112.1	M133 Q172 F173	M133-K176 HydrophobicContact SD-CD 4.23Å; Q172-K176 PolarHBondContact O-N 2.63Å; F173-K176 WeakPolarHBondContact O-CA 3.5Å; F173-K176 WeakPolarHBondContact O-CB 3.43Å; F173-K176 PolarHBondContact O-N 2.92Å
177	V	94.4	Very high	96.7	Very high	19 Å²	19	41.8 Å²	41.8	12%	0.115	18%	0.18	C	C	.	.	H	α-helix	trans	-89.9	-10.6	-178.5	-56.8	0	0	0	0	114	Y10 F173 N181 F182	Y10-V177 HydrophobicContact CD2-CB 4.41Å; Y10-V177 HydrophobicContact CD2-CG1 4.18Å; Y10-V177 HydrophobicContact CD2-CG2 4.32Å; Y10-V177 HydrophobicContact CE2-CB 4.41Å; Y10-V177 HydrophobicContact CE2-CG1 3.86Å; F173-V177 HydrophobicContact CD1-CG1 4.28Å; F173-V177 HydrophobicContact CD1-CG2 4.31Å; F173-V177 HydrophobicContact CD2-CG1 4.15Å; F173-V177 HydrophobicContact CE1-CG1 3.77Å; F173-V177 HydrophobicContact CE1-CG2 4.2Å; F173-V177 HydrophobicContact CE2-CG1 3.61Å; F173-V177 HydrophobicContact CG-CG1 4.46Å; F173-V177 HydrophobicContact CZ-CG1 3.42Å; F173-V177 VanDerWaalsContact CZ-CG1 3.42Å; F173-V177 WeakPolarHBondContact O-CG2 3.13Å; F173-V177 PolarHBondContact O-N 2.78Å; V177-N181 HydrophobicContact CB-CB 4.34Å; V177-N181 HydrophobicContact CG2-CB 4.38Å; V177-N181 WeakPolarHBondContact O-CB 3.41Å; V177-N181 PolarHBondContact O-ND2 2.97Å; V177-F182 HydrophobicContact CG2-CB 3.81Å; V177-F182 HydrophobicContact CG2-CD2 4.48Å
178	K	92.6	Very high	96.7	Very high	113 Å²	113	41.7 Å²	41.7	49%	0.491	18%	0.18	S	C	.	.			trans	74.8	157.2	-172.3	-47	-177.8	175.5	-166.8	0	114.2	Q174 E180 N181	Q174-K178 CarbonylContact O-C 3.27Å; Q174-K178 WeakPolarHBondContact O-CA 3.31Å; Q174-K178 PolarHBondContact O-N 3.28Å; K178-E180 WeakPolarHBondContact CB-OE2 3.2Å; K178-E180 VanDerWaalsContact CD-OE1 3.29Å; K178-E180 WeakPolarHBondContact CD-OE1 3.43Å; K178-E180 PolarHBondContact O-N 3.13Å; K178-N181 PolarHBondContact O-N 3.2Å; K178-N181 VanDerWaalsContact O-N 3.13Å
179	R	92.1	Very high	96.6	Very high	184 Å²	184	41.2 Å²	41.2	69%	0.694	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-55.8	-47	-174.3	-177.5	178.6	172.6	88.5	1.6	112.3	N181 F182 R276	R179-N181 PolarHBondContact O-N 2.81Å; R179-N181 VanDerWaalsContact O-N 3.16Å; R179-F182 PolarHBondContact O-N 3.16Å; R179-R276 PolarHBondContact O-NH1 2.89Å
180	E	94.6	Very high	96.5	Very high	83 Å²	83	41.3 Å²	41.3	39%	0.388	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-70.4	-5.3	-177	69	-81.3	-172.9	0	0	114.6	K9 K178 L277	K9-E180 PolarHBondContact NZ-O 3.39Å; K178-E180 WeakPolarHBondContact CB-OE2 3.2Å; K178-E180 VanDerWaalsContact CD-OE1 3.29Å; K178-E180 WeakPolarHBondContact CD-OE1 3.43Å; K178-E180 PolarHBondContact O-N 3.13Å; E180-L277 WeakPolarHBondContact O-CA 3.32Å
181	N	96.9	Very high	96.4	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.037	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-114.9	3.1	178.7	-53.7	-52.1	0	0	0	113	K9 Y10 V177 K178 R179	K9-N181 HydrophobicContact CD-CB 4.18Å; K9-N181 WeakPolarHBondContact CD-OD1 3.37Å; K9-N181 WeakPolarHBondContact CE-OD1 3.32Å; K9-N181 PolarHBondContact NZ-OD1 2.57Å; Y10-N181 PolarHBondContact N-O 2.98Å; V177-N181 HydrophobicContact CB-CB 4.34Å; V177-N181 HydrophobicContact CG2-CB 4.38Å; V177-N181 WeakPolarHBondContact O-CB 3.41Å; V177-N181 PolarHBondContact O-ND2 2.97Å; K178-N181 PolarHBondContact O-N 3.2Å; K178-N181 VanDerWaalsContact O-N 3.13Å; R179-N181 PolarHBondContact O-N 2.81Å; R179-N181 VanDerWaalsContact O-N 3.16Å
182	F	98.1	Very high	96.2	Very high	5 Å²	5	42.5 Å²	42.5	2%	0.022	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	127.9	179.4	-172.9	-95.8	0	0	0	110.4	Y10 L12 F170 F173 Q174 V177 R179 N184 L216 R276	Y10-F182 CarbonylContact O-C 3.57Å; Y10-F182 WeakPolarHBondContact O-CA 3.37Å; L12-F182 HydrophobicContact CB-CE2 3.96Å; L12-F182 HydrophobicContact CB-CZ 3.68Å; L12-F182 HydrophobicContact CD2-CZ 3.78Å; L12-F182 HydrophobicContact CG-CZ 4.37Å; F170-F182 HydrophobicContact CB-CZ 4.44Å; F170-F182 HydrophobicContact CD1-CE2 4.05Å; F170-F182 HydrophobicContact CD1-CZ 4.43Å; F173-F182 AromaticContact CD1-CD2 3.89Å; F173-F182 HydrophobicContact CD1-CD2 3.89Å; F173-F182 AromaticContact CD1-CE2 3.94Å; F173-F182 HydrophobicContact CD1-CE2 3.94Å; F173-F182 HydrophobicContact CE1-CD2 4.25Å; Q174-F182 HydrophobicContact CB-CB 4.49Å; Q174-F182 HydrophobicContact CB-CD1 3.76Å; Q174-F182 HydrophobicContact CB-CE1 4.13Å; Q174-F182 HydrophobicContact CB-CG 4.09Å; V177-F182 HydrophobicContact CG2-CB 3.81Å; V177-F182 HydrophobicContact CG2-CD2 4.48Å; R179-F182 PolarHBondContact O-N 3.16Å; F182-N184 HydrophobicContact CE1-CB 4.28Å; F182-L216 HydrophobicContact CE1-CD2 4.36Å; F182-R276 VanDerWaalsContact O-CZ 3.29Å; F182-R276 PolarHBondContact O-NH1 3.22Å; F182-R276 PolarHBondContact O-NH2 3.41Å
183	C	98.3	Very high	95.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.6	174.3	-177.1	0	0	0	0	109.7	Y10 I11 L12 D219 L277	Y10-C183 PolarHBondContact O-N 2.76Å; I11-C183 CarbonylContact C-O 3.58Å; I11-C183 WeakPolarHBondContact CA-O 3.49Å; I11-C183 HydrophobicContact CG1-CB 4.33Å; L12-C183 PolarHBondContact N-O 3.09Å; C183-D219 VanDerWaalsContact CA-OD2 3.26Å; C183-D219 WeakPolarHBondContact CA-OD2 3.33Å; C183-L277 HydrophobicContact CB-CD1 4Å; C183-L277 HydrophobicContact CB-CD2 3.8Å; C183-L277 HydrophobicContact CB-CG 4.08Å
184	N	98.3	Very high	95.6	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.1	179.4	-175	21.8	0	0	0	112.1	L12 F182 S217 D219 L220	L12-N184 CarbonylContact O-C 3.53Å; L12-N184 WeakPolarHBondContact O-CA 3.36Å; L12-N184 PolarHBondContact O-OD1 3.35Å; F182-N184 HydrophobicContact CE1-CB 4.28Å; N184-S217 WeakPolarHBondContact CB-O 3.29Å; N184-S217 PolarHBondContact ND2-O 2.86Å; N184-D219 PolarHBondContact N-OD2 2.85Å; N184-D219 WeakPolarHBondContact O-CA 3.4Å; N184-D219 WeakPolarHBondContact O-CB 3.45Å; N184-D219 PolarHBondContact O-N 2.91Å; N184-L220 PolarHBondContact O-N 3.27Å; N184-L220 VanDerWaalsContact O-N 3.15Å
185	I	98.6	Very high	95.3	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.9	173.8	-54.8	-178.4	0	0	0	107.8	I11 L12 V13 T14 I26 V30 V187 L220 V222 F273	I11-I185 HydrophobicContact CG2-CD1 3.57Å; I11-I185 HydrophobicContact CG2-CG1 3.9Å; L12-I185 PolarHBondContact O-N 2.63Å; V13-I185 CarbonylContact C-O 3.53Å; V13-I185 WeakPolarHBondContact CA-O 3.37Å; V13-I185 HydrophobicContact CG1-CB 4.49Å; V13-I185 HydrophobicContact CG2-CB 4.23Å; V13-I185 HydrophobicContact CG2-CD1 4.28Å; T14-I185 PolarHBondContact N-O 2.88Å; T14-I185 PolarHBondContact OG1-O 3.06Å; I26-I185 HydrophobicContact CG2-CG2 4.37Å; V30-I185 HydrophobicContact CG2-CD1 3.84Å; I185-V187 HydrophobicContact CG2-CG2 4.4Å; I185-L220 HydrophobicContact CD1-CD1 4.47Å; I185-L220 HydrophobicContact CG1-CB 4.36Å; I185-L220 HydrophobicContact CG1-CD1 4.38Å; I185-L220 HydrophobicContact CG2-CB 4.42Å; I185-V222 HydrophobicContact CG2-CB 4.44Å; I185-V222 HydrophobicContact CG2-CG2 3.53Å; I185-F273 HydrophobicContact CD1-CE1 4.37Å; I185-F273 HydrophobicContact CD1-CZ 3.87Å
186	H	98.4	Very high	95	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.4	175	-171.4	62.2	0	0	0	110.7	T14 S207 L211 P218 L220 V222	T14-H186 PolarHBondContact OG1-ND1 3.2Å; H186-S207 PolarHBondContact CE1-OG 3.21Å; H186-S207 PolarHBondContact NE2-OG 3.21Å; H186-L211 HydrophobicContact CB-CD2 3.96Å; H186-P218 HydrophobicContact CB-CB 3.82Å; H186-L220 PolarHBondContact N-O 2.89Å; H186-V222 PolarHBondContact O-N 3.38Å
187	V	98.1	Very high	94.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.2	-179.9	-170.8	0	0	0	0	109.3	V13 T14 G16 I21 I26 I185 V222	V13-V187 HydrophobicContact CG1-CG2 3.75Å; T14-V187 PolarHBondContact O-N 3.3Å; G16-V187 PolarHBondContact N-O 3.43Å; I21-V187 HydrophobicContact CD1-CG1 4.33Å; I21-V187 HydrophobicContact CG1-CG1 4.32Å; I21-V187 HydrophobicContact CG2-CB 4.36Å; I21-V187 HydrophobicContact CG2-CG1 3.85Å; I26-V187 HydrophobicContact CB-CG2 4.17Å; I26-V187 HydrophobicContact CG1-CG1 4.26Å; I26-V187 HydrophobicContact CG1-CG2 4.15Å; I26-V187 HydrophobicContact CG2-CG2 4.08Å; I185-V187 HydrophobicContact CG2-CG2 4.4Å; V187-V222 CarbonylContact C-O 3.36Å; V187-V222 WeakPolarHBondContact CA-O 3.17Å; V187-V222 HydrophobicContact CG1-CG1 4.48Å; V187-V222 HydrophobicContact CG2-CB 4.3Å
188	S	97	Very high	94.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.7	-173.5	-165.1	0	0	0	0	112.2	V17 T204 V222 C223 R224	V17-S188 WeakPolarHBondContact CG2-OG 3.45Å; S188-T204 VanDerWaalsContact OG-CA 3.25Å; S188-T204 WeakPolarHBondContact OG-CA 3.45Å; S188-T204 WeakPolarHBondContact OG-CB 3.25Å; S188-T204 PolarHBondContact OG-OG1 3.29Å; S188-T204 VanDerWaalsContact OG-OG1 3.06Å; S188-V222 PolarHBondContact N-O 2.85Å; S188-C223 CarbonylContact O-C 3.6Å; S188-C223 WeakPolarHBondContact O-CA 3.41Å; S188-R224 PolarHBondContact O-N 2.91Å
189	L	96.5	Very high	94.8	Very high	40 Å²	40	45.5 Å²	45.5	21%	0.209	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129	-178.6	-175.8	70.8	0	0	0	109.4	V17 I18 I21 P191 T204	V17-L189 HydrophobicContact CB-CB 4.11Å; V17-L189 HydrophobicContact CG2-CB 4.34Å; I18-L189 HydrophobicContact CD1-CD2 3.87Å; I18-L189 HydrophobicContact CG1-CD2 4.26Å; I21-L189 HydrophobicContact CD1-CB 3.65Å; L189-P191 HydrophobicContact CD2-CB 4.48Å; L189-P191 VanDerWaalsContact O-CD 3.25Å; L189-P191 WeakPolarHBondContact O-CD 3.48Å; L189-T204 PolarHBondContact O-OG1 3.06Å
190	V	96.6	Very high	95	Very high	2 Å²	2	40 Å²	40	1%	0.012	24%	0.239	C	C	.	.			trans	-107	90.9	167.8	-178.7	0	0	0	0	107.7	Q199 C223 R224 C225 L229 V233 I237	V190-Q199 HydrophobicContact CG1-CB 4.12Å; V190-C223 HydrophobicContact CG2-CB 3.71Å; V190-R224 PolarHBondContact N-O 3.49Å; V190-C225 HydrophobicContact CB-CB 4.37Å; V190-L229 HydrophobicContact CB-CD2 4.2Å; V190-L229 HydrophobicContact CG1-CD2 3.89Å; V190-L229 HydrophobicContact CG2-CD2 4.44Å; V190-V233 HydrophobicContact CG1-CG1 4.5Å; V190-I237 HydrophobicContact CG2-CD1 3.98Å
191	P	94.8	Very high	95	Very high	42 Å²	42	36.3 Å²	36.3	27%	0.273	22%	0.222	S	C	.	.			trans	-72	148.3	-179.1	29.1	-34.8	0	0	0	111.4	L189 K200 P203	L189-P191 HydrophobicContact CD2-CB 4.48Å; L189-P191 VanDerWaalsContact O-CD 3.25Å; L189-P191 WeakPolarHBondContact O-CD 3.48Å; P191-K200 WeakPolarHBondContact CD-O 3.45Å; P191-K200 HydrophobicContact CG-CB 4.37Å; P191-K200 PolarHBondContact O-N 3Å; P191-P203 HydrophobicContact CG-CG 4.01Å
192	Q	93.7	Very high	95	Very high	60 Å²	60	41.8 Å²	41.8	28%	0.28	25%	0.245	S	C	.	.			trans	-127.5	89.3	174.1	-173.7	179	9.8	0	0	108.2	S194 G197 Q199 N227	Q192-S194 PolarHBondContact O-N 2.74Å; Q192-G197 PolarHBondContact NE2-O 3.07Å; Q192-Q199 HydrophobicContact CB-CG 4.41Å; Q192-Q199 HydrophobicContact CG-CG 4.25Å; Q192-N227 PolarHBondContact OE1-ND2 3.38Å
193	P	91.8	Very high	94.9	Very high	55 Å²	55	43.3 Å²	43.3	36%	0.357	26%	0.256	S	S	.	.			trans	-59.5	127.1	-179.6	-21.9	32.7	0	0	0	110.8	S195 T196 G197	P193-S195 PolarHBondContact O-N 3.19Å; P193-S195 VanDerWaalsContact O-N 3.11Å; P193-T196 PolarHBondContact O-N 2.78Å; P193-T196 PolarHBondContact O-OG1 2.87Å; P193-G197 PolarHBondContact O-N 2.87Å
194	S	91.2	Very high	94.9	Very high	129 Å²	129	43.3 Å²	43.3	90%	0.902	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.4	-176.9	53.6	0	0	0	0	113.5	Q192 T196	Q192-S194 PolarHBondContact O-N 2.74Å; S194-T196 VanDerWaalsContact C-N 3.31Å; S194-T196 PolarHBondContact O-N 3.28Å
195	S	90.3	Very high	94.8	Very high	108 Å²	108	44 Å²	44	76%	0.755	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-27	176.4	54.9	0	0	0	0	114.3	P193	P193-S195 PolarHBondContact O-N 3.19Å; P193-S195 VanDerWaalsContact O-N 3.11Å
196	T	89.1	Confident	94.8	Very high	85 Å²	85	47.4 Å²	47.4	52%	0.521	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-26.6	-175.9	61.6	0	0	0	0	113.2	P193 S194 E198	P193-T196 PolarHBondContact O-N 2.78Å; P193-T196 PolarHBondContact O-OG1 2.87Å; S194-T196 VanDerWaalsContact C-N 3.31Å; S194-T196 PolarHBondContact O-N 3.28Å; T196-E198 PolarHBondContact O-N 3.17Å; T196-E198 VanDerWaalsContact O-N 3.09Å
197	G	88.7	Confident	94.7	Very high	41 Å²	41	48 Å²	48	42%	0.423	28%	0.281	S	S	.	.			trans	67	1.3	-175.7	0	0	0	0	0	114.8	Q192 P193	Q192-G197 PolarHBondContact NE2-O 3.07Å; P193-G197 PolarHBondContact O-N 2.87Å
198	E	91.9	Very high	94.7	Very high	99 Å²	99	48 Å²	48	46%	0.463	28%	0.281	S	S	.	.			trans	-96	132.7	-176.1	-167.5	-165.3	134.7	0	0	111.3	T196 K200	T196-E198 PolarHBondContact O-N 3.17Å; T196-E198 VanDerWaalsContact O-N 3.09Å; E198-K200 PolarHBondContact O-N 3.49Å; E198-K200 IonicContact OE1-NZ 3.6Å; E198-K200 PolarHBondContact OE1-NZ 2.81Å; E198-K200 IonicContact OE2-NZ 3.6Å; E198-K200 PolarHBondContact OE2-NZ 3.41Å
199	Q	95.5	Very high	94.7	Very high	11 Å²	11	55.6 Å²	55.6	5%	0.051	31%	0.31	C	S	.	.			trans	-71.4	117	175.9	-66.4	179	-20.8	0	0	110.7	V190 Q192 P228 D230 V233	V190-Q199 HydrophobicContact CG1-CB 4.12Å; Q192-Q199 HydrophobicContact CB-CG 4.41Å; Q192-Q199 HydrophobicContact CG-CG 4.25Å; Q199-P228 PolarHBondContact NE2-O 3.29Å; Q199-D230 VanDerWaalsContact OE1-N 3.11Å; Q199-V233 HydrophobicContact CB-CG1 4.21Å; Q199-V233 HydrophobicContact CB-CG2 4Å
200	K	95.8	Very high	94.7	Very high	70 Å²	70	57.7 Å²	57.7	30%	0.304	32%	0.319	S	S	.	.			trans	-97.8	113.2	-174.4	-61.4	-60	178.8	-177.3	0	111.7	P191 E198	P191-K200 WeakPolarHBondContact CD-O 3.45Å; P191-K200 HydrophobicContact CG-CB 4.37Å; P191-K200 PolarHBondContact O-N 3Å; E198-K200 PolarHBondContact O-N 3.49Å; E198-K200 IonicContact OE1-NZ 3.6Å; E198-K200 PolarHBondContact OE1-NZ 2.81Å; E198-K200 IonicContact OE2-NZ 3.6Å; E198-K200 PolarHBondContact OE2-NZ 3.41Å
201	T	96.4	Very high	94.7	Very high	4 Å²	4	57.6 Å²	57.6	3%	0.025	32%	0.318	C	S	.	.			trans	-84.3	-11.3	-179.6	62.8	0	0	0	0	114.5	T204 Q205 V233 K236 I237	T201-T204 WeakPolarHBondContact O-CB 3.43Å; T201-T204 PolarHBondContact O-N 3.39Å; T201-Q205 WeakPolarHBondContact O-CG 3.16Å; T201-Q205 PolarHBondContact O-N 2.94Å; T201-Q205 VanDerWaalsContact O-N 3.11Å; T201-Q205 PolarHBondContact OG1-NE2 2.9Å; T201-V233 HydrophobicContact CG2-CG1 3.55Å; T201-K236 HydrophobicContact CG2-CD 4.23Å; T201-K236 WeakPolarHBondContact OG1-CE 3.45Å; T201-I237 HydrophobicContact CG2-CD1 3.95Å; T201-I237 HydrophobicContact CG2-CG1 3.61Å
202	K	97	Very high	94.8	Very high	122 Å²	122	59 Å²	59	53%	0.53	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-41.3	-170.3	-159.2	72.1	-173.6	169.9	0	113.9	T204 Q205 N206	K202-T204 VanDerWaalsContact C-N 3.34Å; K202-T204 PolarHBondContact O-N 2.87Å; K202-Q205 PolarHBondContact O-N 3.46Å; K202-N206 PolarHBondContact O-N 3.25Å; K202-N206 VanDerWaalsContact O-N 3.13Å
203	P	95.9	Very high	95	Very high	37 Å²	37	59.5 Å²	59.5	24%	0.24	34%	0.339	C	S	.	.	H	α-helix	trans	-58.3	-44.4	175.2	-26.2	37.5	0	0	0	112.5	V17 P191 Q205 N206 S207	V17-P203 HydrophobicContact CB-CB 4.4Å; V17-P203 HydrophobicContact CG1-CB 3.82Å; V17-P203 HydrophobicContact CG2-CB 3.6Å; P191-P203 HydrophobicContact CG-CG 4.01Å; P203-Q205 PolarHBondContact O-N 3.44Å; P203-N206 PolarHBondContact O-N 3.11Å; P203-S207 WeakPolarHBondContact O-CB 3.28Å; P203-S207 PolarHBondContact O-N 2.82Å
204	T	97.3	Very high	95.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-42	176	-53	0	0	0	0	112.8	S188 L189 T201 K202 N206 S207 V208 V221 I237	S188-T204 VanDerWaalsContact OG-CA 3.25Å; S188-T204 WeakPolarHBondContact OG-CA 3.45Å; S188-T204 WeakPolarHBondContact OG-CB 3.25Å; S188-T204 PolarHBondContact OG-OG1 3.29Å; S188-T204 VanDerWaalsContact OG-OG1 3.06Å; L189-T204 PolarHBondContact O-OG1 3.06Å; T201-T204 WeakPolarHBondContact O-CB 3.43Å; T201-T204 PolarHBondContact O-N 3.39Å; K202-T204 VanDerWaalsContact C-N 3.34Å; K202-T204 PolarHBondContact O-N 2.87Å; T204-N206 PolarHBondContact O-N 3.37Å; T204-S207 PolarHBondContact O-N 2.82Å; T204-V208 HydrophobicContact CG2-CG2 4.5Å; T204-V208 WeakPolarHBondContact O-CG2 3.24Å; T204-V208 PolarHBondContact O-N 3.06Å; T204-V221 HydrophobicContact CG2-CG1 3.92Å; T204-I237 HydrophobicContact CG2-CG2 4.29Å
205	Q	97.2	Very high	95.4	Very high	17 Å²	17	54.4 Å²	54.4	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-60.7	-45.7	177.8	-64.1	174.8	4.9	0	0	112.1	T201 K202 P203 R209 F240	T201-Q205 WeakPolarHBondContact O-CG 3.16Å; T201-Q205 PolarHBondContact O-N 2.94Å; T201-Q205 VanDerWaalsContact O-N 3.11Å; T201-Q205 PolarHBondContact OG1-NE2 2.9Å; K202-Q205 PolarHBondContact O-N 3.46Å; P203-Q205 PolarHBondContact O-N 3.44Å; Q205-R209 WeakPolarHBondContact O-CB 3.18Å; Q205-R209 PolarHBondContact O-N 3.17Å; Q205-F240 HydrophobicContact CG-CB 3.69Å; Q205-F240 HydrophobicContact CG-CG 4.14Å
206	N	96.8	Very high	95.8	Very high	73 Å²	73	49.3 Å²	49.3	39%	0.39	27%	0.27	S	S	.	.	H	α-helix	trans	-66.9	-42.7	179.6	-70.8	-14.2	0	0	0	111.3	K202 P203 T204 R209 E210	K202-N206 PolarHBondContact O-N 3.25Å; K202-N206 VanDerWaalsContact O-N 3.13Å; P203-N206 PolarHBondContact O-N 3.11Å; T204-N206 PolarHBondContact O-N 3.37Å; N206-R209 WeakPolarHBondContact O-CB 3.15Å; N206-R209 PolarHBondContact O-N 2.89Å; N206-E210 PolarHBondContact O-N 3.29Å
207	S	96.6	Very high	96.1	Very high	12 Å²	12	48.9 Å²	48.9	8%	0.084	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-45.9	178	-169.9	0	0	0	0	112.4	G16 H186 P203 T204 R209 E210 L211	G16-S207 WeakPolarHBondContact CA-OG 3.33Å; H186-S207 PolarHBondContact CE1-OG 3.21Å; H186-S207 PolarHBondContact NE2-OG 3.21Å; P203-S207 WeakPolarHBondContact O-CB 3.28Å; P203-S207 PolarHBondContact O-N 2.82Å; T204-S207 PolarHBondContact O-N 2.82Å; S207-R209 VanDerWaalsContact C-N 3.34Å; S207-R209 PolarHBondContact O-N 3.21Å; S207-E210 PolarHBondContact O-N 3.06Å; S207-L211 PolarHBondContact O-N 2.82Å
208	V	97.8	Very high	96.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-34.2	176.2	170.8	0	0	0	0	111.9	T204 E210 R212 P218 V221 C241	T204-V208 HydrophobicContact CG2-CG2 4.5Å; T204-V208 WeakPolarHBondContact O-CG2 3.24Å; T204-V208 PolarHBondContact O-N 3.06Å; V208-E210 VanDerWaalsContact C-N 3.34Å; V208-R212 HydrophobicContact CG1-CG 4.48Å; V208-R212 WeakPolarHBondContact O-CB 3.46Å; V208-R212 WeakPolarHBondContact O-CG 3.39Å; V208-R212 PolarHBondContact O-N 3.02Å; V208-P218 HydrophobicContact CG1-CG 3.93Å; V208-P218 HydrophobicContact CG2-CG 4.4Å; V208-V221 HydrophobicContact CG2-CG2 4.46Å; V208-C241 HydrophobicContact CB-CB 4.38Å; V208-C241 HydrophobicContact CG1-CB 3.94Å; V208-C241 HydrophobicContact CG2-CB 4.29Å
209	R	97.3	Very high	96.9	Very high	160 Å²	160	43.6 Å²	43.6	60%	0.604	24%	0.236	S	C	*	.	H	α-helix	trans	-62.6	-43.4	174	-174.2	-177.3	67.9	178.7	1.4	111.2	Q205 N206 S207 R212 G213	Q205-R209 WeakPolarHBondContact O-CB 3.18Å; Q205-R209 PolarHBondContact O-N 3.17Å; N206-R209 WeakPolarHBondContact O-CB 3.15Å; N206-R209 PolarHBondContact O-N 2.89Å; S207-R209 VanDerWaalsContact C-N 3.34Å; S207-R209 PolarHBondContact O-N 3.21Å; R209-R212 PolarHBondContact O-N 2.9Å; R209-G213 PolarHBondContact O-N 3.48Å
210	E	96.6	Very high	97	Very high	85 Å²	85	43.2 Å²	43.2	40%	0.397	23%	0.234	S	C	.	.	H	α-helix	trans	-62.5	-50.8	177.4	-168.8	61.9	-157.8	0	0	111.3	V158 N206 S207 V208 R212 G213 L214	V158-E210 HydrophobicContact CG1-CB 4.36Å; V158-E210 HydrophobicContact CG1-CG 4.05Å; N206-E210 PolarHBondContact O-N 3.29Å; S207-E210 PolarHBondContact O-N 3.06Å; V208-E210 VanDerWaalsContact C-N 3.34Å; E210-R212 VanDerWaalsContact C-N 3.28Å; E210-R212 PolarHBondContact O-N 3.46Å; E210-G213 WeakPolarHBondContact O-CA 3.49Å; E210-G213 PolarHBondContact O-N 3.18Å; E210-L214 WeakPolarHBondContact O-CG 3.39Å; E210-L214 PolarHBondContact O-N 3.43Å
211	L	97.4	Very high	97.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.2	-43.1	177.6	-176.3	66	0	0	0	112.3	T14 V158 H186 S207 L214 G215 L216 P218	T14-L211 HydrophobicContact CG2-CD1 4.44Å; V158-L211 HydrophobicContact CG1-CB 4.15Å; V158-L211 HydrophobicContact CG1-CD1 4.21Å; V158-L211 HydrophobicContact CG2-CD1 3.92Å; H186-L211 HydrophobicContact CB-CD2 3.96Å; S207-L211 PolarHBondContact O-N 2.82Å; L211-L214 PolarHBondContact O-N 2.83Å; L211-G215 PolarHBondContact O-N 2.97Å; L211-L216 CarbonylContact C-O 3.54Å; L211-L216 VanDerWaalsContact C-O 3.27Å; L211-L216 HydrophobicContact CD1-CB 3.78Å; L211-L216 HydrophobicContact CD1-CD1 4.08Å; L211-L216 HydrophobicContact CG-CB 3.97Å; L211-L216 PolarHBondContact O-N 3.44Å; L211-L216 VanDerWaalsContact O-O 3.07Å; L211-P218 HydrophobicContact CD2-CB 4.46Å
212	R	97.1	Very high	97.2	Very high	72 Å²	72	39.9 Å²	39.9	27%	0.272	22%	0.22	S	C	.	.	H	α-helix	trans	-67.7	-37.2	175.6	-74	-169.7	-61	-176	0.3	112.8	V208 R209 E210 L214 G215 L216 H242	V208-R212 HydrophobicContact CG1-CG 4.48Å; V208-R212 WeakPolarHBondContact O-CB 3.46Å; V208-R212 WeakPolarHBondContact O-CG 3.39Å; V208-R212 PolarHBondContact O-N 3.02Å; R209-R212 PolarHBondContact O-N 2.9Å; E210-R212 VanDerWaalsContact C-N 3.28Å; E210-R212 PolarHBondContact O-N 3.46Å; R212-L214 PolarHBondContact O-N 3.32Å; R212-G215 WeakPolarHBondContact O-CA 3.27Å; R212-G215 PolarHBondContact O-N 3.02Å; R212-L216 VanDerWaalsContact CA-O 3.24Å; R212-L216 WeakPolarHBondContact CA-O 3.27Å; R212-L216 PolarHBondContact N-O 2.98Å; R212-H242 PolarHBondContact NH1-CE1 2.94Å; R212-H242 PolarHBondContact NH1-ND1 3.32Å
213	G	97.1	Very high	97.2	Very high	70 Å²	70	34 Å²	34	72%	0.722	19%	0.194	S	C	*	.	H	α-helix	trans	-58.9	-32.2	173.7	0	0	0	0	0	112.5	R209 E210 G215	R209-G213 PolarHBondContact O-N 3.48Å; E210-G213 WeakPolarHBondContact O-CA 3.49Å; E210-G213 PolarHBondContact O-N 3.18Å; G213-G215 VanDerWaalsContact C-N 3.29Å
214	L	96.6	Very high	97.3	Very high	47 Å²	47	36.3 Å²	36.3	25%	0.246	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	2.5	174.7	-57.4	171.7	0	0	0	113.6	V158 I167 R171 E210 L211 R212	V158-L214 HydrophobicContact CG1-CD1 3.93Å; I167-L214 HydrophobicContact CD1-CD1 3.59Å; I167-L214 HydrophobicContact CG2-CB 3.52Å; I167-L214 HydrophobicContact CG2-CD1 4Å; I167-L214 HydrophobicContact CG2-CG 4.36Å; R171-L214 WeakPolarHBondContact CD-O 3.44Å; E210-L214 WeakPolarHBondContact O-CG 3.39Å; E210-L214 PolarHBondContact O-N 3.43Å; L211-L214 PolarHBondContact O-N 2.83Å; R212-L214 PolarHBondContact O-N 3.32Å
215	G	96	Very high	97.1	Very high	30 Å²	30	36.5 Å²	36.5	31%	0.309	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	13	171.5	0	0	0	0	0	116	Q174 L211 R212 G213	Q174-G215 PolarHBondContact NE2-O 3.38Å; Q174-G215 VanDerWaalsContact NE2-O 3.15Å; L211-G215 PolarHBondContact O-N 2.97Å; R212-G215 WeakPolarHBondContact O-CA 3.27Å; R212-G215 PolarHBondContact O-N 3.02Å; G213-G215 VanDerWaalsContact C-N 3.29Å
216	L	96.9	Very high	96.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	22%	0.217	C	C	.	.			trans	-108.1	133.2	170.6	-68.5	178.9	0	0	0	110.4	L12 I167 F170 F182 L211 R212	L12-L216 HydrophobicContact CD2-CD1 3.88Å; I167-L216 HydrophobicContact CG2-CD1 3.91Å; I167-L216 HydrophobicContact CG2-CG 4.34Å; F170-L216 HydrophobicContact CB-CD1 4.25Å; F170-L216 HydrophobicContact CB-CD2 4.42Å; F182-L216 HydrophobicContact CE1-CD2 4.36Å; L211-L216 CarbonylContact C-O 3.54Å; L211-L216 VanDerWaalsContact C-O 3.27Å; L211-L216 HydrophobicContact CD1-CB 3.78Å; L211-L216 HydrophobicContact CD1-CD1 4.08Å; L211-L216 HydrophobicContact CG-CB 3.97Å; L211-L216 PolarHBondContact O-N 3.44Å; L211-L216 VanDerWaalsContact O-O 3.07Å; R212-L216 VanDerWaalsContact CA-O 3.24Å; R212-L216 WeakPolarHBondContact CA-O 3.27Å; R212-L216 PolarHBondContact N-O 2.98Å
217	S	96.6	Very high	96.7	Very high	75 Å²	75	39.4 Å²	39.4	52%	0.524	22%	0.221	S	C	.	.			trans	-106.7	133.9	173.2	-63.5	0	0	0	0	109.6	N184	N184-S217 WeakPolarHBondContact CB-O 3.29Å; N184-S217 PolarHBondContact ND2-O 2.86Å
218	P	97.8	Very high	96.7	Very high	10 Å²	10	42.5 Å²	42.5	7%	0.065	24%	0.24	C	C	.	.			trans	-72.5	132.9	175.4	29.6	-32.6	0	0	0	110.4	H186 V208 L211 V221	H186-P218 HydrophobicContact CB-CB 3.82Å; V208-P218 HydrophobicContact CG1-CG 3.93Å; V208-P218 HydrophobicContact CG2-CG 4.4Å; L211-P218 HydrophobicContact CD2-CB 4.46Å; P218-V221 HydrophobicContact CB-CG2 4.03Å; P218-V221 HydrophobicContact CG-CG2 4.02Å
219	D	98.3	Very high	96.6	Very high	19 Å²	19	43.2 Å²	43.2	10%	0.102	24%	0.244	C	C	.	.	S	Bend	trans	-84.4	-37.8	168.9	-74.2	-59	0	0	0	110.5	C183 N184 Q247 Y272 R276	C183-D219 VanDerWaalsContact CA-OD2 3.26Å; C183-D219 WeakPolarHBondContact CA-OD2 3.33Å; N184-D219 PolarHBondContact N-OD2 2.85Å; N184-D219 WeakPolarHBondContact O-CA 3.4Å; N184-D219 WeakPolarHBondContact O-CB 3.45Å; N184-D219 PolarHBondContact O-N 2.91Å; D219-Q247 PolarHBondContact O-NE2 2.9Å; D219-Y272 HydrophobicContact CB-CE1 4.11Å; D219-Y272 VanDerWaalsContact CB-OH 3.29Å; D219-Y272 WeakPolarHBondContact CB-OH 3.43Å; D219-Y272 PolarHBondContact O-OH 3.32Å; D219-Y272 VanDerWaalsContact O-OH 3.12Å; D219-R276 VanDerWaalsContact CG-NE 3.33Å; D219-R276 IonicContact OD1-CZ 3.69Å; D219-R276 IonicContact OD1-NE 3.52Å; D219-R276 PolarHBondContact OD1-NE 2.65Å; D219-R276 IonicContact OD1-NH2 3.07Å; D219-R276 PolarHBondContact OD1-NH2 2.9Å; D219-R276 IonicContact OD2-CZ 3.55Å; D219-R276 IonicContact OD2-NE 3.9Å; D219-R276 IonicContact OD2-NH2 2.56Å; D219-R276 PolarHBondContact OD2-NH2 3.09Å
220	L	98.4	Very high	96.5	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.4	170.7	-65.7	176.6	0	0	0	110.3	N184 I185 H186 Q247 I249 V269 Y272 F273	N184-L220 PolarHBondContact O-N 3.27Å; N184-L220 VanDerWaalsContact O-N 3.15Å; I185-L220 HydrophobicContact CD1-CD1 4.47Å; I185-L220 HydrophobicContact CG1-CB 4.36Å; I185-L220 HydrophobicContact CG1-CD1 4.38Å; I185-L220 HydrophobicContact CG2-CB 4.42Å; H186-L220 PolarHBondContact N-O 2.89Å; L220-Q247 HydrophobicContact CD2-CB 4Å; L220-Q247 HydrophobicContact CD2-CG 4.26Å; L220-I249 HydrophobicContact CD2-CG1 4.39Å; L220-V269 HydrophobicContact CD1-CG1 4.3Å; L220-Y272 HydrophobicContact CD1-CD1 3.9Å; L220-Y272 HydrophobicContact CD1-CE1 4.24Å; L220-Y272 HydrophobicContact CD2-CD1 3.71Å; L220-Y272 HydrophobicContact CD2-CD2 4.14Å; L220-Y272 HydrophobicContact CD2-CE1 3.8Å; L220-Y272 HydrophobicContact CD2-CE2 4.24Å; L220-Y272 HydrophobicContact CD2-CG 3.88Å; L220-Y272 HydrophobicContact CG-CD1 3.82Å; L220-Y272 HydrophobicContact CG-CE1 3.73Å; L220-Y272 HydrophobicContact CG-CG 4.49Å; L220-F273 HydrophobicContact CD1-CE1 4Å; L220-F273 HydrophobicContact CD1-CZ 3.98Å
221	V	98.3	Very high	96.5	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	108.5	171.2	-177.7	0	0	0	0	107.7	T204 V208 P218 I237 C241 V243 Q247 I249	T204-V221 HydrophobicContact CG2-CG1 3.92Å; V208-V221 HydrophobicContact CG2-CG2 4.46Å; P218-V221 HydrophobicContact CB-CG2 4.03Å; P218-V221 HydrophobicContact CG-CG2 4.02Å; V221-I237 HydrophobicContact CG1-CG2 4.21Å; V221-C241 HydrophobicContact CG2-CB 4.43Å; V221-V243 HydrophobicContact CG2-CG1 4.29Å; V221-V243 HydrophobicContact CG2-CG2 4.09Å; V221-Q247 PolarHBondContact N-O 2.91Å; V221-I249 PolarHBondContact O-N 2.94Å
222	V	98.2	Very high	96.4	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.024	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	113.6	179.3	179.8	0	0	0	0	108.5	I26 I185 H186 V187 S188 I249 V251	I26-V222 HydrophobicContact CD1-CG1 3.86Å; I26-V222 HydrophobicContact CG1-CG1 4.1Å; I26-V222 HydrophobicContact CG2-CG1 4.41Å; I26-V222 HydrophobicContact CG2-CG2 4.26Å; I185-V222 HydrophobicContact CG2-CB 4.44Å; I185-V222 HydrophobicContact CG2-CG2 3.53Å; H186-V222 PolarHBondContact O-N 3.38Å; V187-V222 CarbonylContact C-O 3.36Å; V187-V222 WeakPolarHBondContact CA-O 3.17Å; V187-V222 HydrophobicContact CG1-CG1 4.48Å; V187-V222 HydrophobicContact CG2-CB 4.3Å; S188-V222 PolarHBondContact N-O 2.85Å; V222-I249 CarbonylContact C-O 3.43Å; V222-I249 WeakPolarHBondContact CA-O 3.4Å; V222-I249 HydrophobicContact CG2-CB 4.19Å; V222-V251 HydrophobicContact CG1-CB 4.35Å; V222-V251 HydrophobicContact CG1-CG2 3.62Å
223	C	97.6	Very high	96.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	105	-176.8	-66.8	0	0	0	0	110.4	S188 V190 C225 L229 I249 V251	S188-C223 CarbonylContact O-C 3.6Å; S188-C223 WeakPolarHBondContact O-CA 3.41Å; V190-C223 HydrophobicContact CG2-CB 3.71Å; C223-C225 PolarHBondContact O-SG 3Å; C223-L229 HydrophobicContact CB-CD1 3.65Å; C223-I249 PolarHBondContact N-O 2.99Å; C223-V251 PolarHBondContact O-N 3.31Å
224	R	96.4	Very high	96.4	Very high	85 Å²	85	41.2 Å²	41.2	32%	0.321	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130	168.7	-173.6	167.3	177.1	-162.6	-2.6	110.2	G20 I21 S188 V190 V251	G20-R224 PolarHBondContact O-NH1 3.04Å; I21-R224 HydrophobicContact CD1-CB 4.31Å; I21-R224 HydrophobicContact CG1-CB 3.96Å; I21-R224 HydrophobicContact CG1-CG 4.49Å; I21-R224 WeakPolarHBondContact O-CD 3.5Å; I21-R224 PolarHBondContact O-NH1 2.87Å; S188-R224 PolarHBondContact O-N 2.91Å; V190-R224 PolarHBondContact N-O 3.49Å; R224-V251 VanDerWaalsContact CA-O 3.28Å; R224-V251 WeakPolarHBondContact CA-O 3.43Å
225	C	94.3	Very high	96.4	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.027	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	166.6	-175.6	43.2	0	0	0	0	110.3	V190 C223 N227 L229 V251 H252 D253	V190-C225 HydrophobicContact CB-CB 4.37Å; C223-C225 PolarHBondContact O-SG 3Å; C225-N227 PolarHBondContact SG-O 3.43Å; C225-L229 HydrophobicContact CB-CD2 4.09Å; C225-V251 PolarHBondContact N-O 3.1Å; C225-H252 CarbonylContact O-C 3.57Å; C225-H252 WeakPolarHBondContact O-CA 3.49Å; C225-D253 PolarHBondContact O-N 3.23Å
226	S	92.8	Very high	96.5	Very high	65 Å²	65	47.1 Å²	47.1	46%	0.455	26%	0.261	S	S	.	.	S	Bend	trans	-83.4	-39.5	176	-61.4	0	0	0	0	112.5	D253	S226-D253 WeakPolarHBondContact CA-OD2 3.44Å; S226-D253 PolarHBondContact O-N 2.9Å; S226-D253 PolarHBondContact OG-OD2 3.35Å
227	N	93.6	Very high	96.5	Very high	86 Å²	86	47.1 Å²	47.1	46%	0.46	26%	0.261	S	S	.	.	S	Bend	trans	-114.9	157.8	177.2	-61.6	-60.2	0	0	0	110.4	Q192 C225	Q192-N227 PolarHBondContact OE1-ND2 3.38Å; C225-N227 PolarHBondContact SG-O 3.43Å
228	P	95.6	Very high	96.6	Very high	77 Å²	77	44.3 Å²	44.3	50%	0.5	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-49.9	141.8	171.7	-27.5	35.4	0	0	0	112.4	Q199	Q199-P228 PolarHBondContact NE2-O 3.29Å
229	L	95.1	Very high	96.6	Very high	15 Å²	15	49.7 Å²	49.7	8%	0.079	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-73.1	135.5	179.9	-67.5	-177.4	0	0	0	111.9	V190 C223 C225 V233 K234 I237 V248 C250	V190-L229 HydrophobicContact CB-CD2 4.2Å; V190-L229 HydrophobicContact CG1-CD2 3.89Å; V190-L229 HydrophobicContact CG2-CD2 4.44Å; C223-L229 HydrophobicContact CB-CD1 3.65Å; C225-L229 HydrophobicContact CB-CD2 4.09Å; L229-V233 HydrophobicContact CD2-CG1 4.01Å; L229-K234 HydrophobicContact CB-CG 3.91Å; L229-K234 HydrophobicContact CD1-CG 4.13Å; L229-I237 HydrophobicContact CD1-CD1 4.39Å; L229-V248 HydrophobicContact CD1-CG1 4.49Å; L229-C250 HydrophobicContact CB-CB 4.26Å; L229-C250 HydrophobicContact CD1-CB 4.09Å; L229-C250 HydrophobicContact CG-CB 4.02Å; L229-C250 PolarHBondContact N-SG 3.28Å; L229-C250 VanDerWaalsContact N-SG 3.35Å
230	D	95.9	Very high	96.5	Very high	96 Å²	96	53 Å²	53	51%	0.513	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-65.1	148.7	169.7	-65.8	-32.4	0	0	0	110.9	Q199 S232 V233 K234	Q199-D230 VanDerWaalsContact OE1-N 3.11Å; D230-S232 VanDerWaalsContact C-N 3.26Å; D230-S232 PolarHBondContact O-N 3.43Å; D230-V233 HydrophobicContact CB-CB 4.3Å; D230-V233 HydrophobicContact CB-CG2 3.96Å; D230-V233 WeakPolarHBondContact O-CB 3.2Å; D230-V233 PolarHBondContact O-N 3.09Å; D230-K234 PolarHBondContact O-N 3.07Å
231	T	95.7	Very high	96.5	Very high	103 Å²	103	53 Å²	53	63%	0.632	28%	0.281	S	S	*	.	H	α-helix	trans	-56.9	-41.7	178.4	-51.2	0	0	0	0	111.8	V233 K234 E235	T231-V233 VanDerWaalsContact C-N 3.26Å; T231-V233 PolarHBondContact O-N 3.28Å; T231-K234 WeakPolarHBondContact O-CB 3.49Å; T231-K234 PolarHBondContact O-N 3.44Å; T231-E235 WeakPolarHBondContact O-CG 3.32Å; T231-E235 PolarHBondContact O-N 3.31Å
232	S	96.5	Very high	96.4	Very high	76 Å²	76	59.7 Å²	59.7	53%	0.531	31%	0.312	S	S	.	.	H	α-helix	trans	-62.9	-33	177.5	61.6	0	0	0	0	112.8	D230 K236	D230-S232 VanDerWaalsContact C-N 3.26Å; D230-S232 PolarHBondContact O-N 3.43Å; S232-K236 VanDerWaalsContact O-CB 3.27Å; S232-K236 WeakPolarHBondContact O-CB 3.17Å; S232-K236 PolarHBondContact O-N 2.95Å
233	V	97	Very high	96.4	Very high	13 Å²	13	60.1 Å²	60.1	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-72	-42.2	176.8	174.8	0	0	0	0	109.9	V190 Q199 T201 L229 D230 T231 K236 I237	V190-V233 HydrophobicContact CG1-CG1 4.5Å; Q199-V233 HydrophobicContact CB-CG1 4.21Å; Q199-V233 HydrophobicContact CB-CG2 4Å; T201-V233 HydrophobicContact CG2-CG1 3.55Å; L229-V233 HydrophobicContact CD2-CG1 4.01Å; D230-V233 HydrophobicContact CB-CB 4.3Å; D230-V233 HydrophobicContact CB-CG2 3.96Å; D230-V233 WeakPolarHBondContact O-CB 3.2Å; D230-V233 PolarHBondContact O-N 3.09Å; T231-V233 VanDerWaalsContact C-N 3.26Å; T231-V233 PolarHBondContact O-N 3.28Å; V233-K236 PolarHBondContact O-N 3.14Å; V233-I237 HydrophobicContact CG1-CD1 4.22Å; V233-I237 WeakPolarHBondContact O-CG1 3.4Å; V233-I237 PolarHBondContact O-N 3.14Å
234	K	96.8	Very high	96.3	Very high	56 Å²	56	65.9 Å²	65.9	24%	0.243	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-47.9	173.6	-70.4	-171	175.4	-166.7	0	112.1	L229 D230 T231 K236 I237 S238 V248	L229-K234 HydrophobicContact CB-CG 3.91Å; L229-K234 HydrophobicContact CD1-CG 4.13Å; D230-K234 PolarHBondContact O-N 3.07Å; T231-K234 WeakPolarHBondContact O-CB 3.49Å; T231-K234 PolarHBondContact O-N 3.44Å; K234-K236 VanDerWaalsContact C-N 3.31Å; K234-K236 PolarHBondContact O-N 2.94Å; K234-I237 PolarHBondContact O-N 3.35Å; K234-S238 WeakPolarHBondContact O-CB 3.18Å; K234-S238 PolarHBondContact O-N 3.08Å; K234-V248 HydrophobicContact CB-CG1 4.41Å; K234-V248 HydrophobicContact CG-CG1 4.24Å
235	E	97.4	Very high	96.3	Very high	113 Å²	113	64.7 Å²	64.7	53%	0.528	35%	0.345	S	S	.	.	H	α-helix	trans	-59.3	-42.1	176.5	-73.2	172.8	-178	0	0	111.8	T231 S238 M239	T231-E235 WeakPolarHBondContact O-CG 3.32Å; T231-E235 PolarHBondContact O-N 3.31Å; E235-S238 WeakPolarHBondContact O-CB 3.24Å; E235-S238 PolarHBondContact O-N 2.51Å; E235-M239 WeakPolarHBondContact O-CB 3.4Å; E235-M239 PolarHBondContact O-N 3.36Å
236	K	97.2	Very high	96.4	Very high	89 Å²	89	70.7 Å²	70.7	39%	0.387	37%	0.373	S	S	.	.	H	α-helix	trans	-61.6	-46.9	175.6	-172.3	175.2	-176.7	176	0	111.3	T201 S232 V233 K234 M239 F240	T201-K236 HydrophobicContact CG2-CD 4.23Å; T201-K236 WeakPolarHBondContact OG1-CE 3.45Å; S232-K236 VanDerWaalsContact O-CB 3.27Å; S232-K236 WeakPolarHBondContact O-CB 3.17Å; S232-K236 PolarHBondContact O-N 2.95Å; V233-K236 PolarHBondContact O-N 3.14Å; K234-K236 VanDerWaalsContact C-N 3.31Å; K234-K236 PolarHBondContact O-N 2.94Å; K236-M239 PolarHBondContact O-N 3.22Å; K236-F240 HydrophobicContact CG-CD2 3.7Å; K236-F240 HydrophobicContact CG-CE2 3.74Å; K236-F240 WeakPolarHBondContact O-CD2 3.45Å; K236-F240 PolarHBondContact O-N 3.47Å
237	I	97.8	Very high	96.7	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-61.7	-47.3	177.5	-67.8	171.1	0	0	0	110.1	V190 T201 T204 V221 L229 V233 K234 M239 F240 C241 V248	V190-I237 HydrophobicContact CG2-CD1 3.98Å; T201-I237 HydrophobicContact CG2-CD1 3.95Å; T201-I237 HydrophobicContact CG2-CG1 3.61Å; T204-I237 HydrophobicContact CG2-CG2 4.29Å; V221-I237 HydrophobicContact CG1-CG2 4.21Å; L229-I237 HydrophobicContact CD1-CD1 4.39Å; V233-I237 HydrophobicContact CG1-CD1 4.22Å; V233-I237 WeakPolarHBondContact O-CG1 3.4Å; V233-I237 PolarHBondContact O-N 3.14Å; K234-I237 PolarHBondContact O-N 3.35Å; I237-M239 PolarHBondContact O-N 3.32Å; I237-F240 PolarHBondContact O-N 3.25Å; I237-C241 HydrophobicContact CG2-CB 4.45Å; I237-C241 WeakPolarHBondContact O-CB 3.25Å; I237-C241 PolarHBondContact O-N 3.28Å; I237-C241 PolarHBondContact O-SG 3.36Å; I237-V248 HydrophobicContact CB-CG1 4.14Å; I237-V248 HydrophobicContact CB-CG2 4.32Å; I237-V248 HydrophobicContact CD1-CG1 4.31Å; I237-V248 HydrophobicContact CG2-CG1 3.9Å; I237-V248 HydrophobicContact CG2-CG2 3.92Å
238	S	97.6	Very high	96.9	Very high	16 Å²	16	64.8 Å²	64.8	11%	0.112	34%	0.335	C	S	.	.	H	α-helix	trans	-50.4	-54.9	175.2	161.7	0	0	0	0	111.7	K234 E235 F240 C241 H242 V243 P245	K234-S238 WeakPolarHBondContact O-CB 3.18Å; K234-S238 PolarHBondContact O-N 3.08Å; E235-S238 WeakPolarHBondContact O-CB 3.24Å; E235-S238 PolarHBondContact O-N 2.51Å; S238-F240 PolarHBondContact O-N 2.91Å; S238-C241 PolarHBondContact O-N 2.74Å; S238-H242 WeakPolarHBondContact O-CA 3.24Å; S238-H242 PolarHBondContact O-N 2.9Å; S238-V243 CarbonylContact C-O 3.51Å; S238-V243 VanDerWaalsContact CA-O 3.26Å; S238-V243 WeakPolarHBondContact CA-O 3.4Å; S238-V243 VanDerWaalsContact CB-O 3.23Å; S238-V243 WeakPolarHBondContact CB-O 3.47Å; S238-V243 PolarHBondContact O-N 3.35Å; S238-V243 PolarHBondContact OG-O 2.91Å; S238-P245 WeakPolarHBondContact OG-CD 3.35Å
239	M	97.5	Very high	97	Very high	123 Å²	123	61.2 Å²	61.2	61%	0.606	31%	0.312	S	S	*	.	H	α-helix	trans	-61.1	-43.8	-179	-175.1	-177	67.5	0	0	113	E235 K236 I237 H242	E235-M239 WeakPolarHBondContact O-CB 3.4Å; E235-M239 PolarHBondContact O-N 3.36Å; K236-M239 PolarHBondContact O-N 3.22Å; I237-M239 PolarHBondContact O-N 3.32Å; M239-H242 PolarHBondContact O-CD2 3.18Å; M239-H242 VanDerWaalsContact O-CD2 3.31Å
240	F	97.1	Very high	97.1	Very high	89 Å²	89	60.9 Å²	60.9	39%	0.39	31%	0.31	S	S	.	.	H	α-helix	trans	-81.9	-27.7	-176.3	-78.4	-74	0	0	0	113.8	Q205 K236 I237 S238	Q205-F240 HydrophobicContact CG-CB 3.69Å; Q205-F240 HydrophobicContact CG-CG 4.14Å; K236-F240 HydrophobicContact CG-CD2 3.7Å; K236-F240 HydrophobicContact CG-CE2 3.74Å; K236-F240 WeakPolarHBondContact O-CD2 3.45Å; K236-F240 PolarHBondContact O-N 3.47Å; I237-F240 PolarHBondContact O-N 3.25Å; S238-F240 PolarHBondContact O-N 2.91Å
241	C	97.5	Very high	97.2	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.014	29%	0.289	C	S	.	.	H	α-helix	trans	-91.7	-8.9	179.6	-64.6	0	0	0	0	112.8	V208 V221 I237 S238 V243	V208-C241 HydrophobicContact CB-CB 4.38Å; V208-C241 HydrophobicContact CG1-CB 3.94Å; V208-C241 HydrophobicContact CG2-CB 4.29Å; V221-C241 HydrophobicContact CG2-CB 4.43Å; I237-C241 HydrophobicContact CG2-CB 4.45Å; I237-C241 WeakPolarHBondContact O-CB 3.25Å; I237-C241 PolarHBondContact O-N 3.28Å; I237-C241 PolarHBondContact O-SG 3.36Å; S238-C241 PolarHBondContact O-N 2.74Å; C241-V243 HydrophobicContact CB-CG2 4.3Å
242	H	96.8	Very high	97.1	Very high	142 Å²	142	54.2 Å²	54.2	66%	0.657	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	47.5	-179	-54.2	-176.5	0	0	0	112.3	R212 S238 M239	R212-H242 PolarHBondContact NH1-CE1 2.94Å; R212-H242 PolarHBondContact NH1-ND1 3.32Å; S238-H242 WeakPolarHBondContact O-CA 3.24Å; S238-H242 PolarHBondContact O-N 2.9Å; M239-H242 PolarHBondContact O-CD2 3.18Å; M239-H242 VanDerWaalsContact O-CD2 3.31Å
243	V	97.3	Very high	97	Very high	12 Å²	12	54.8 Å²	54.8	7%	0.073	27%	0.267	C	S	.	.	S	Bend	trans	-128.4	154.2	172.8	-61.4	0	0	0	0	108.7	V221 S238 C241 Q247 V248	V221-V243 HydrophobicContact CG2-CG1 4.29Å; V221-V243 HydrophobicContact CG2-CG2 4.09Å; S238-V243 CarbonylContact C-O 3.51Å; S238-V243 VanDerWaalsContact CA-O 3.26Å; S238-V243 WeakPolarHBondContact CA-O 3.4Å; S238-V243 VanDerWaalsContact CB-O 3.23Å; S238-V243 WeakPolarHBondContact CB-O 3.47Å; S238-V243 PolarHBondContact O-N 3.35Å; S238-V243 PolarHBondContact OG-O 2.91Å; C241-V243 HydrophobicContact CB-CG2 4.3Å; V243-Q247 HydrophobicContact CB-CB 4.06Å; V243-Q247 HydrophobicContact CG2-CB 4.35Å; V243-V248 HydrophobicContact CG2-CG2 3.94Å
244	E	97.1	Very high	96.8	Very high	121 Å²	121	56.2 Å²	56.2	57%	0.565	28%	0.276	S	S	*	.			trans	-63.3	151.1	173	-61.1	-178.8	164.4	0	0	111	E246 Q247	E244-E246 WeakPolarHBondContact CB-OE2 3.36Å; E244-E246 PolarHBondContact O-N 3.29Å; E244-Q247 HydrophobicContact CB-CG 4.23Å; E244-Q247 VanDerWaalsContact CB-OE1 3.31Å; E244-Q247 WeakPolarHBondContact O-CB 3.36Å; E244-Q247 PolarHBondContact O-N 3.29Å
245	P	96.5	Very high	96.4	Very high	60 Å²	60	56.8 Å²	56.8	39%	0.39	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-54.5	-34.6	178.9	-27.2	36.1	0	0	0	114	S238 Q247 V248	S238-P245 WeakPolarHBondContact OG-CD 3.35Å; P245-Q247 PolarHBondContact O-N 2.85Å; P245-V248 PolarHBondContact O-N 3.29Å; P245-V248 VanDerWaalsContact O-N 3.16Å
246	E	95.9	Very high	96	Very high	131 Å²	131	51.9 Å²	51.9	61%	0.612	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-67	-20.3	178.4	-62.2	76.3	-169.3	0	0	112.7	E244 V248	E244-E246 WeakPolarHBondContact CB-OE2 3.36Å; E244-E246 PolarHBondContact O-N 3.29Å; E246-V248 VanDerWaalsContact C-N 3.32Å
247	Q	98	Very high	95.7	Very high	24 Å²	24	49.6 Å²	49.6	11%	0.112	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-87.3	-4.8	178.2	-60.1	173.3	-72.9	0	0	112.5	D219 L220 V221 V243 E244 P245 I249 Y272	D219-Q247 PolarHBondContact O-NE2 2.9Å; L220-Q247 HydrophobicContact CD2-CB 4Å; L220-Q247 HydrophobicContact CD2-CG 4.26Å; V221-Q247 PolarHBondContact N-O 2.91Å; V243-Q247 HydrophobicContact CB-CB 4.06Å; V243-Q247 HydrophobicContact CG2-CB 4.35Å; E244-Q247 HydrophobicContact CB-CG 4.23Å; E244-Q247 VanDerWaalsContact CB-OE1 3.31Å; E244-Q247 WeakPolarHBondContact O-CB 3.36Å; E244-Q247 PolarHBondContact O-N 3.29Å; P245-Q247 PolarHBondContact O-N 2.85Å; Q247-I249 PolarHBondContact O-N 3.15Å; Q247-Y272 HydrophobicContact CG-CD2 4.2Å; Q247-Y272 HydrophobicContact CG-CE2 3.68Å; Q247-Y272 VanDerWaalsContact NE2-CE2 3.3Å; Q247-Y272 PolarHBondContact NE2-OH 2.92Å
248	V	98.3	Very high	95.4	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	96.5	175.3	-174.6	0	0	0	0	109.4	L229 K234 I237 V243 P245 E246	L229-V248 HydrophobicContact CD1-CG1 4.49Å; K234-V248 HydrophobicContact CB-CG1 4.41Å; K234-V248 HydrophobicContact CG-CG1 4.24Å; I237-V248 HydrophobicContact CB-CG1 4.14Å; I237-V248 HydrophobicContact CB-CG2 4.32Å; I237-V248 HydrophobicContact CD1-CG1 4.31Å; I237-V248 HydrophobicContact CG2-CG1 3.9Å; I237-V248 HydrophobicContact CG2-CG2 3.92Å; V243-V248 HydrophobicContact CG2-CG2 3.94Å; P245-V248 PolarHBondContact O-N 3.29Å; P245-V248 VanDerWaalsContact O-N 3.16Å; E246-V248 VanDerWaalsContact C-N 3.32Å
249	I	98.2	Very high	95.3	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.015	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	124.7	-174.8	-50.2	-57.9	0	0	0	109.6	L220 V221 V222 C223 Q247 V251 L264 Q267 V269	L220-I249 HydrophobicContact CD2-CG1 4.39Å; V221-I249 PolarHBondContact O-N 2.94Å; V222-I249 CarbonylContact C-O 3.43Å; V222-I249 WeakPolarHBondContact CA-O 3.4Å; V222-I249 HydrophobicContact CG2-CB 4.19Å; C223-I249 PolarHBondContact N-O 2.99Å; Q247-I249 PolarHBondContact O-N 3.15Å; I249-V251 HydrophobicContact CG2-CG2 4.45Å; I249-L264 HydrophobicContact CG2-CD2 3.55Å; I249-Q267 HydrophobicContact CD1-CB 4.18Å; I249-Q267 HydrophobicContact CG2-CB 4.34Å; I249-V269 HydrophobicContact CD1-CG2 3.84Å; I249-V269 HydrophobicContact CG1-CG2 4.1Å; I249-V269 HydrophobicContact CG2-CG2 4.41Å
250	C	97.4	Very high	95.2	Very high	7 Å²	7	47.1 Å²	47.1	5%	0.047	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123	177.6	172.4	0	0	0	0	110.3	L229 Q267	L229-C250 HydrophobicContact CB-CB 4.26Å; L229-C250 HydrophobicContact CD1-CB 4.09Å; L229-C250 HydrophobicContact CG-CB 4.02Å; L229-C250 PolarHBondContact N-SG 3.28Å; L229-C250 VanDerWaalsContact N-SG 3.35Å; C250-Q267 PolarHBondContact O-NE2 3.28Å
251	V	96.8	Very high	95.1	Very high	11 Å²	11	42.9 Å²	42.9	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	95.9	171	-178.8	0	0	0	0	107.6	I26 V222 C223 R224 C225 I249 V260 L263 L264	I26-V251 HydrophobicContact CD1-CB 4.41Å; I26-V251 HydrophobicContact CD1-CG1 4.16Å; I26-V251 HydrophobicContact CD1-CG2 3.87Å; V222-V251 HydrophobicContact CG1-CB 4.35Å; V222-V251 HydrophobicContact CG1-CG2 3.62Å; C223-V251 PolarHBondContact O-N 3.31Å; R224-V251 VanDerWaalsContact CA-O 3.28Å; R224-V251 WeakPolarHBondContact CA-O 3.43Å; C225-V251 PolarHBondContact N-O 3.1Å; I249-V251 HydrophobicContact CG2-CG2 4.45Å; V251-V260 HydrophobicContact CG1-CG1 4.32Å; V251-L263 HydrophobicContact CB-CD2 4.48Å; V251-L263 HydrophobicContact CG1-CD2 4.34Å; V251-L264 HydrophobicContact CG2-CD2 3.89Å
252	H	95.1	Very high	94.9	Very high	49 Å²	49	43.2 Å²	43.2	23%	0.227	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	167.5	178	57.7	-85.8	0	0	0	111.1	C225 V254	C225-H252 CarbonylContact O-C 3.57Å; C225-H252 WeakPolarHBondContact O-CA 3.49Å; H252-V254 PolarHBondContact O-N 3.44Å; H252-V254 VanDerWaalsContact O-N 3.16Å
253	D	94	Very high	94.8	Very high	87 Å²	87	37.3 Å²	37.3	47%	0.465	20%	0.195	S	C	.	.			trans	-63.7	117.3	174.5	-70.5	-33.3	0	0	0	109.3	C225 S226	C225-D253 PolarHBondContact O-N 3.23Å; S226-D253 WeakPolarHBondContact CA-OD2 3.44Å; S226-D253 PolarHBondContact O-N 2.9Å; S226-D253 PolarHBondContact OG-OD2 3.35Å
254	V	92.5	Very high	94.8	Very high	44 Å²	44	36.9 Å²	36.9	27%	0.267	19%	0.192	S	C	.	.			trans	-107.4	158.1	-178.6	-71.3	0	0	0	0	110.7	H252 S256 R259 V260 L263	H252-V254 PolarHBondContact O-N 3.44Å; H252-V254 VanDerWaalsContact O-N 3.16Å; V254-S256 WeakPolarHBondContact CG2-O 3.18Å; V254-S256 PolarHBondContact O-N 3.34Å; V254-R259 HydrophobicContact CB-CB 4.02Å; V254-R259 HydrophobicContact CB-CG 4.32Å; V254-R259 HydrophobicContact CG1-CB 4.17Å; V254-R259 HydrophobicContact CG1-CG 4.04Å; V254-R259 HydrophobicContact CG2-CB 4.18Å; V254-V260 HydrophobicContact CG2-CG2 3.89Å; V254-L263 HydrophobicContact CG1-CD2 4.43Å
255	S	88.3	Confident	94.6	Very high	68 Å²	68	34.1 Å²	34.1	48%	0.476	18%	0.179	S	C	.	.	S	Bend	trans	-60.4	-31.8	178.3	55.3	0	0	0	0	113.3	Y299 D300	S255-Y299 VanDerWaalsContact O-CE1 3.31Å; S255-Y299 WeakPolarHBondContact O-CE1 3.37Å; S255-D300 WeakPolarHBondContact CB-OD1 3.35Å; S255-D300 PolarHBondContact OG-OD1 2.84Å
256	S	89.8	Confident	94.4	Very high	10 Å²	10	37.6 Å²	37.6	7%	0.07	19%	0.19	C	C	.	.			trans	-148	147	-178.2	-175.4	0	0	0	0	112.1	V254 Y258 R259	V254-S256 WeakPolarHBondContact CG2-O 3.18Å; V254-S256 PolarHBondContact O-N 3.34Å; S256-Y258 PolarHBondContact O-N 3.13Å; S256-Y258 VanDerWaalsContact O-N 3.11Å; S256-Y258 WeakPolarHBondContact OG-CD2 3.26Å; S256-Y258 PolarHBondContact OG-N 3.33Å; S256-R259 WeakPolarHBondContact O-CB 3.26Å; S256-R259 PolarHBondContact O-N 3.16Å
257	I	91.1	Very high	94.5	Very high	41 Å²	41	33.7 Å²	33.7	21%	0.21	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-57.6	-25	173.7	63.4	178.6	0	0	0	112.5	I25 F84 R259 V260 K326	I25-I257 HydrophobicContact CD1-CB 4.39Å; I25-I257 HydrophobicContact CD1-CG2 4.22Å; F84-I257 HydrophobicContact CE2-CD1 3.89Å; F84-I257 HydrophobicContact CZ-CB 4.21Å; F84-I257 HydrophobicContact CZ-CD1 3.8Å; F84-I257 HydrophobicContact CZ-CG1 3.96Å; I257-R259 PolarHBondContact O-N 3.17Å; I257-V260 PolarHBondContact O-N 2.96Å; I257-K326 HydrophobicContact CD1-CD 4.37Å
258	Y	91.6	Very high	94.2	Very high	4 Å²	4	34 Å²	34	2%	0.016	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-69.4	-15	178.2	-53.4	-50.4	0	0	0	113.7	S256 W292 M295 H330 P540	S256-Y258 PolarHBondContact O-N 3.13Å; S256-Y258 VanDerWaalsContact O-N 3.11Å; S256-Y258 WeakPolarHBondContact OG-CD2 3.26Å; S256-Y258 PolarHBondContact OG-N 3.33Å; Y258-W292 HydrophobicContact CD1-CE3 4.2Å; Y258-W292 HydrophobicContact CD1-CH2 4.19Å; Y258-W292 AromaticContact CD1-CZ3 3.6Å; Y258-W292 HydrophobicContact CD1-CZ3 3.6Å; Y258-W292 HydrophobicContact CG-CZ3 4.41Å; Y258-M295 HydrophobicContact CD1-CE 3.4Å; Y258-M295 VanDerWaalsContact CD1-CE 3.4Å; Y258-M295 HydrophobicContact CD1-SD 3.82Å; Y258-M295 HydrophobicContact CD2-CE 4.27Å; Y258-M295 HydrophobicContact CD2-CG 3.75Å; Y258-M295 HydrophobicContact CD2-SD 3.8Å; Y258-M295 HydrophobicContact CE1-CE 3.98Å; Y258-M295 HydrophobicContact CE1-SD 3.97Å; Y258-M295 HydrophobicContact CE2-CG 4.34Å; Y258-M295 HydrophobicContact CE2-SD 3.96Å; Y258-M295 HydrophobicContact CG-CE 3.59Å; Y258-M295 HydrophobicContact CG-CG 3.89Å; Y258-M295 HydrophobicContact CG-SD 3.75Å; Y258-H330 PolarHBondContact OH-CD2 3.27Å; Y258-H330 PolarHBondContact OH-NE2 3.02Å; Y258-P540 HydrophobicContact CE1-CB 3.82Å; Y258-P540 HydrophobicContact CE1-CG 3.7Å
259	R	93.8	Very high	94.1	Very high	77 Å²	77	34 Å²	34	29%	0.291	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-78.3	-24.3	174.3	-162.6	77.9	-177.3	-163.2	5.4	112.3	V254 S256 I257 L262 L263 D297 D300	V254-R259 HydrophobicContact CB-CB 4.02Å; V254-R259 HydrophobicContact CB-CG 4.32Å; V254-R259 HydrophobicContact CG1-CB 4.17Å; V254-R259 HydrophobicContact CG1-CG 4.04Å; V254-R259 HydrophobicContact CG2-CB 4.18Å; S256-R259 WeakPolarHBondContact O-CB 3.26Å; S256-R259 PolarHBondContact O-N 3.16Å; I257-R259 PolarHBondContact O-N 3.17Å; R259-L262 WeakPolarHBondContact O-CB 2.95Å; R259-L262 PolarHBondContact O-N 3.29Å; R259-L262 VanDerWaalsContact O-N 3.15Å; R259-L263 PolarHBondContact O-N 3.49Å; R259-D297 IonicContact NH1-OD1 2.75Å; R259-D300 IonicContact NH1-OD2 3.52Å
260	V	95.6	Very high	93.8	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.036	18%	0.182	C	C	.	.	H	α-helix	trans	-61.8	-45.5	-171.9	-177.2	0	0	0	0	112.6	I25 I26 S29 V251 V254 I257 L262 L263 L264	I25-V260 HydrophobicContact CG2-CB 4.06Å; I25-V260 HydrophobicContact CG2-CG1 4.05Å; I25-V260 HydrophobicContact CG2-CG2 3.91Å; I26-V260 HydrophobicContact CD1-CG1 4.03Å; S29-V260 WeakPolarHBondContact OG-CG1 3.34Å; V251-V260 HydrophobicContact CG1-CG1 4.32Å; V254-V260 HydrophobicContact CG2-CG2 3.89Å; I257-V260 PolarHBondContact O-N 2.96Å; V260-L262 VanDerWaalsContact C-N 3.26Å; V260-L262 PolarHBondContact O-N 2.94Å; V260-L263 PolarHBondContact O-N 3.37Å; V260-L264 HydrophobicContact CG1-CD1 4.38Å; V260-L264 HydrophobicContact CG1-CG 4.41Å; V260-L264 WeakPolarHBondContact O-CG 3.45Å; V260-L264 PolarHBondContact O-N 3.21Å
261	P	94.7	Very high	93.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.6	-38.3	174.9	-24.6	33.7	0	0	0	113.4	T32 I33 F84 L264 E265 L289 W292	T32-P261 HydrophobicContact CG2-CB 4.46Å; T32-P261 HydrophobicContact CG2-CG 4.46Å; I33-P261 WeakPolarHBondContact CD1-O 3.43Å; I33-P261 HydrophobicContact CG1-CB 4.21Å; F84-P261 HydrophobicContact CE1-CG 4.42Å; P261-L264 PolarHBondContact O-N 3.11Å; P261-E265 PolarHBondContact O-N 3.42Å; P261-L289 HydrophobicContact CB-CD1 4.35Å; P261-W292 HydrophobicContact CG-CE3 3.85Å; P261-W292 HydrophobicContact CG-CZ3 3.85Å
262	L	94.4	Very high	93.5	Very high	9 Å²	9	38.2 Å²	38.2	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-68.9	-42	179.1	-53.8	171	0	0	0	111.1	R259 V260 L264 E265 E266 L289 W292 K293 A296	R259-L262 WeakPolarHBondContact O-CB 2.95Å; R259-L262 PolarHBondContact O-N 3.29Å; R259-L262 VanDerWaalsContact O-N 3.15Å; V260-L262 VanDerWaalsContact C-N 3.26Å; V260-L262 PolarHBondContact O-N 2.94Å; L262-L264 VanDerWaalsContact C-N 3.3Å; L262-L264 PolarHBondContact O-N 3.48Å; L262-E265 WeakPolarHBondContact O-CB 3.39Å; L262-E265 PolarHBondContact O-N 3.41Å; L262-E266 WeakPolarHBondContact O-CG 3.48Å; L262-E266 PolarHBondContact O-N 3.28Å; L262-L289 HydrophobicContact CD2-CD1 3.69Å; L262-L289 HydrophobicContact CD2-CG 3.91Å; L262-W292 HydrophobicContact CD2-CB 4.45Å; L262-K293 HydrophobicContact CD1-CB 4.09Å; L262-K293 HydrophobicContact CD1-CG 4.37Å; L262-K293 HydrophobicContact CD2-CB 4.1Å; L262-A296 HydrophobicContact CD1-CB 4.03Å
263	L	95.4	Very high	93.5	Very high	17 Å²	17	35.9 Å²	35.9	9%	0.089	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-34.9	177.9	-175.4	66.9	0	0	0	112.5	V251 V254 R259 V260 Q267	V251-L263 HydrophobicContact CB-CD2 4.48Å; V251-L263 HydrophobicContact CG1-CD2 4.34Å; V254-L263 HydrophobicContact CG1-CD2 4.43Å; R259-L263 PolarHBondContact O-N 3.49Å; V260-L263 PolarHBondContact O-N 3.37Å; L263-Q267 WeakPolarHBondContact O-CG 3.35Å; L263-Q267 PolarHBondContact O-N 3.24Å; L263-Q267 PolarHBondContact O-NE2 3.12Å
264	L	95.9	Very high	93.4	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-72.4	-39.1	174.3	-65.3	-179.2	0	0	0	111.5	V30 I33 I249 V251 V260 P261 L262 Q267 V269	V30-L264 HydrophobicContact CG2-CD1 4.35Å; I33-L264 HydrophobicContact CD1-CB 3.62Å; I33-L264 HydrophobicContact CD1-CD1 4.17Å; I249-L264 HydrophobicContact CG2-CD2 3.55Å; V251-L264 HydrophobicContact CG2-CD2 3.89Å; V260-L264 HydrophobicContact CG1-CD1 4.38Å; V260-L264 HydrophobicContact CG1-CG 4.41Å; V260-L264 WeakPolarHBondContact O-CG 3.45Å; V260-L264 PolarHBondContact O-N 3.21Å; P261-L264 PolarHBondContact O-N 3.11Å; L262-L264 VanDerWaalsContact C-N 3.3Å; L262-L264 PolarHBondContact O-N 3.48Å; L264-Q267 PolarHBondContact O-N 2.97Å; L264-V269 HydrophobicContact CB-CG2 4.21Å; L264-V269 HydrophobicContact CD2-CG2 4.5Å; L264-V269 WeakPolarHBondContact O-CB 3.31Å; L264-V269 VanDerWaalsContact O-CG2 3.25Å; L264-V269 WeakPolarHBondContact O-CG2 3.28Å; L264-V269 PolarHBondContact O-N 2.95Å
265	E	92.9	Very high	93.4	Very high	63 Å²	63	41 Å²	41	29%	0.294	20%	0.203	S	C	.	.	H	α-helix	trans	-60.9	-47.7	174.2	178.8	-178.8	-141.4	0	0	111.6	P261 L262 Q267 G268 R286 L289	P261-E265 PolarHBondContact O-N 3.42Å; L262-E265 WeakPolarHBondContact O-CB 3.39Å; L262-E265 PolarHBondContact O-N 3.41Å; E265-Q267 PolarHBondContact O-N 3.45Å; E265-Q267 VanDerWaalsContact O-N 3.15Å; E265-G268 PolarHBondContact O-N 3.11Å; E265-R286 WeakPolarHBondContact OE1-CD 3.34Å; E265-R286 IonicContact OE1-CZ 3.56Å; E265-R286 IonicContact OE1-NE 3.9Å; E265-R286 IonicContact OE1-NH1 2.75Å; E265-R286 PolarHBondContact OE1-NH1 3.44Å; E265-L289 HydrophobicContact CB-CD2 4.38Å; E265-L289 HydrophobicContact CG-CD2 4.2Å; E265-L289 WeakPolarHBondContact OE1-CD2 3.21Å; E265-L289 WeakPolarHBondContact OE2-CD2 3.36Å
266	E	93.8	Very high	93.8	Very high	134 Å²	134	39.5 Å²	39.5	63%	0.626	19%	0.186	S	C	*	.	H	α-helix	trans	-58.1	-27.3	178.8	-75.3	173.4	-174.7	0	0	112.7	L262 G268	L262-E266 WeakPolarHBondContact O-CG 3.48Å; L262-E266 PolarHBondContact O-N 3.28Å; E266-G268 VanDerWaalsContact C-N 3.35Å
267	Q	96.2	Very high	94.1	Very high	48 Å²	48	39 Å²	39	22%	0.224	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	12.4	178.5	-71	178.9	92.8	0	0	113.9	I249 C250 L263 L264 E265 V269	I249-Q267 HydrophobicContact CD1-CB 4.18Å; I249-Q267 HydrophobicContact CG2-CB 4.34Å; C250-Q267 PolarHBondContact O-NE2 3.28Å; L263-Q267 WeakPolarHBondContact O-CG 3.35Å; L263-Q267 PolarHBondContact O-N 3.24Å; L263-Q267 PolarHBondContact O-NE2 3.12Å; L264-Q267 PolarHBondContact O-N 2.97Å; E265-Q267 PolarHBondContact O-N 3.45Å; E265-Q267 VanDerWaalsContact O-N 3.15Å; Q267-V269 PolarHBondContact O-N 3.43Å
268	G	93.4	Very high	94.1	Very high	30 Å²	30	43.1 Å²	43.1	31%	0.309	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	18.4	170.2	0	0	0	0	0	115	E265 E266 V270 D271 Y272	E265-G268 PolarHBondContact O-N 3.11Å; E266-G268 VanDerWaalsContact C-N 3.35Å; G268-V270 PolarHBondContact O-N 2.92Å; G268-D271 PolarHBondContact O-N 2.71Å; G268-Y272 PolarHBondContact O-N 3.2Å; G268-Y272 VanDerWaalsContact O-N 3.14Å
269	V	94.3	Very high	94	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	21%	0.207	C	C	.	.	H	α-helix	trans	-58.5	-31.7	-179.4	170.7	0	0	0	0	112.1	L220 I249 L264 Q267 Y272 F273	L220-V269 HydrophobicContact CD1-CG1 4.3Å; I249-V269 HydrophobicContact CD1-CG2 3.84Å; I249-V269 HydrophobicContact CG1-CG2 4.1Å; I249-V269 HydrophobicContact CG2-CG2 4.41Å; L264-V269 HydrophobicContact CB-CG2 4.21Å; L264-V269 HydrophobicContact CD2-CG2 4.5Å; L264-V269 WeakPolarHBondContact O-CB 3.31Å; L264-V269 VanDerWaalsContact O-CG2 3.25Å; L264-V269 WeakPolarHBondContact O-CG2 3.28Å; L264-V269 PolarHBondContact O-N 2.95Å; Q267-V269 PolarHBondContact O-N 3.43Å; V269-Y272 WeakPolarHBondContact O-CB 3.11Å; V269-Y272 PolarHBondContact O-N 2.9Å; V269-F273 HydrophobicContact CG1-CD2 3.81Å; V269-F273 HydrophobicContact CG1-CE2 3.22Å; V269-F273 HydrophobicContact CG1-CZ 3.76Å; V269-F273 VanDerWaalsContact O-CD2 3.31Å; V269-F273 WeakPolarHBondContact O-CD2 3.26Å; V269-F273 PolarHBondContact O-N 3.23Å; V269-F273 VanDerWaalsContact O-N 3.08Å
270	V	92.7	Very high	93.7	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.036	22%	0.218	C	C	.	.	H	α-helix	trans	-68.7	-45.3	178.3	-174.5	0	0	0	0	112.5	I33 G268 Y272 F273 L274 I281	I33-V270 HydrophobicContact CG2-CG2 3.16Å; G268-V270 PolarHBondContact O-N 2.92Å; V270-Y272 PolarHBondContact O-N 3.39Å; V270-F273 PolarHBondContact O-N 3.38Å; V270-L274 PolarHBondContact O-N 2.71Å; V270-I281 HydrophobicContact CG1-CD1 3.99Å; V270-I281 HydrophobicContact CG1-CG2 4.4Å
271	D	92.4	Very high	93.1	Very high	74 Å²	74	44.1 Å²	44.1	40%	0.396	22%	0.221	S	C	.	.	H	α-helix	trans	-65.1	-29	177.5	-69.3	-46.5	0	0	0	111.4	G268 R275	G268-D271 PolarHBondContact O-N 2.71Å; D271-R275 WeakPolarHBondContact O-CG 3.45Å; D271-R275 PolarHBondContact O-N 3.13Å; D271-R275 PolarHBondContact O-NE 3.39Å
272	Y	95.4	Very high	92.2	Very high	29 Å²	29	50.3 Å²	50.3	11%	0.114	25%	0.25	C	C	.	.	H	α-helix	trans	-64	-53.3	170.4	-174.2	-95.2	0	0	0	111.8	D219 L220 Q247 G268 V269 V270 L274 R275 R276	D219-Y272 HydrophobicContact CB-CE1 4.11Å; D219-Y272 VanDerWaalsContact CB-OH 3.29Å; D219-Y272 WeakPolarHBondContact CB-OH 3.43Å; D219-Y272 PolarHBondContact O-OH 3.32Å; D219-Y272 VanDerWaalsContact O-OH 3.12Å; L220-Y272 HydrophobicContact CD1-CD1 3.9Å; L220-Y272 HydrophobicContact CD1-CE1 4.24Å; L220-Y272 HydrophobicContact CD2-CD1 3.71Å; L220-Y272 HydrophobicContact CD2-CD2 4.14Å; L220-Y272 HydrophobicContact CD2-CE1 3.8Å; L220-Y272 HydrophobicContact CD2-CE2 4.24Å; L220-Y272 HydrophobicContact CD2-CG 3.88Å; L220-Y272 HydrophobicContact CG-CD1 3.82Å; L220-Y272 HydrophobicContact CG-CE1 3.73Å; L220-Y272 HydrophobicContact CG-CG 4.49Å; Q247-Y272 HydrophobicContact CG-CD2 4.2Å; Q247-Y272 HydrophobicContact CG-CE2 3.68Å; Q247-Y272 VanDerWaalsContact NE2-CE2 3.3Å; Q247-Y272 PolarHBondContact NE2-OH 2.92Å; G268-Y272 PolarHBondContact O-N 3.2Å; G268-Y272 VanDerWaalsContact O-N 3.14Å; V269-Y272 WeakPolarHBondContact O-CB 3.11Å; V269-Y272 PolarHBondContact O-N 2.9Å; V270-Y272 PolarHBondContact O-N 3.39Å; Y272-L274 VanDerWaalsContact C-N 3.33Å; Y272-L274 PolarHBondContact O-N 3.04Å; Y272-R275 PolarHBondContact O-N 3.24Å; Y272-R276 HydrophobicContact CD1-CB 4.15Å; Y272-R276 HydrophobicContact CE1-CB 3.77Å; Y272-R276 HydrophobicContact CE1-CG 3.78Å; Y272-R276 VanDerWaalsContact O-CB 3.24Å; Y272-R276 WeakPolarHBondContact O-CB 3.49Å; Y272-R276 PolarHBondContact O-N 3.43Å
273	F	94.9	Very high	90.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.8	-36.6	-179.4	-67	-45.3	0	0	0	113.2	I11 V30 L34 I185 L220 V269 V270 R275 R276 L277 L279	I11-F273 HydrophobicContact CD1-CD1 4.31Å; I11-F273 HydrophobicContact CD1-CE1 4.05Å; I11-F273 HydrophobicContact CD1-CE2 4.47Å; I11-F273 HydrophobicContact CD1-CZ 4.14Å; V30-F273 HydrophobicContact CG1-CE2 3.68Å; V30-F273 HydrophobicContact CG1-CZ 3.84Å; V30-F273 HydrophobicContact CG2-CE2 4.29Å; V30-F273 HydrophobicContact CG2-CZ 4.27Å; L34-F273 HydrophobicContact CD2-CD2 4.07Å; I185-F273 HydrophobicContact CD1-CE1 4.37Å; I185-F273 HydrophobicContact CD1-CZ 3.87Å; L220-F273 HydrophobicContact CD1-CE1 4Å; L220-F273 HydrophobicContact CD1-CZ 3.98Å; V269-F273 HydrophobicContact CG1-CD2 3.81Å; V269-F273 HydrophobicContact CG1-CE2 3.22Å; V269-F273 HydrophobicContact CG1-CZ 3.76Å; V269-F273 VanDerWaalsContact O-CD2 3.31Å; V269-F273 WeakPolarHBondContact O-CD2 3.26Å; V269-F273 PolarHBondContact O-N 3.23Å; V269-F273 VanDerWaalsContact O-N 3.08Å; V270-F273 PolarHBondContact O-N 3.38Å; F273-R275 VanDerWaalsContact C-N 3.29Å; F273-R275 PolarHBondContact O-N 2.99Å; F273-R276 PolarHBondContact O-N 3.38Å; F273-L277 HydrophobicContact CD1-CD1 4.13Å; F273-L277 WeakPolarHBondContact O-CB 3.32Å; F273-L277 PolarHBondContact O-N 2.91Å; F273-L279 HydrophobicContact CB-CD1 4.02Å
274	L	92.2	Very high	89.6	Confident	55 Å²	55	65.7 Å²	65.7	29%	0.288	31%	0.311	S	S	.	.	H	α-helix	trans	-54.8	-47.2	174.7	-174.7	154	0	0	0	110.9	V270 Y272 D278 I281	V270-L274 PolarHBondContact O-N 2.71Å; Y272-L274 VanDerWaalsContact C-N 3.33Å; Y272-L274 PolarHBondContact O-N 3.04Å; L274-D278 WeakPolarHBondContact O-CA 3.18Å; L274-D278 PolarHBondContact O-N 2.83Å; L274-I281 HydrophobicContact CD1-CB 4.34Å
275	R	93	Very high	88.1	Confident	185 Å²	185	70.4 Å²	70.4	70%	0.698	34%	0.342	S	S	*	.	H	α-helix	trans	-76	-41	179.4	-67.5	-178.1	-68.7	-178.3	4	113	D271 Y272 F273	D271-R275 WeakPolarHBondContact O-CG 3.45Å; D271-R275 PolarHBondContact O-N 3.13Å; D271-R275 PolarHBondContact O-NE 3.39Å; Y272-R275 PolarHBondContact O-N 3.24Å; F273-R275 VanDerWaalsContact C-N 3.29Å; F273-R275 PolarHBondContact O-N 2.99Å
276	R	95.8	Very high	87.4	Confident	35 Å²	35	70 Å²	70	13%	0.132	34%	0.338	C	S	.	.	H	α-helix	trans	-76.6	-34.1	-171.9	-179.6	58.9	-174.9	73.5	9.9	113.4	R179 F182 D219 Y272 F273	R179-R276 PolarHBondContact O-NH1 2.89Å; F182-R276 VanDerWaalsContact O-CZ 3.29Å; F182-R276 PolarHBondContact O-NH1 3.22Å; F182-R276 PolarHBondContact O-NH2 3.41Å; D219-R276 VanDerWaalsContact CG-NE 3.33Å; D219-R276 IonicContact OD1-CZ 3.69Å; D219-R276 IonicContact OD1-NE 3.52Å; D219-R276 PolarHBondContact OD1-NE 2.65Å; D219-R276 IonicContact OD1-NH2 3.07Å; D219-R276 PolarHBondContact OD1-NH2 2.9Å; D219-R276 IonicContact OD2-CZ 3.55Å; D219-R276 IonicContact OD2-NE 3.9Å; D219-R276 IonicContact OD2-NH2 2.56Å; D219-R276 PolarHBondContact OD2-NH2 3.09Å; Y272-R276 HydrophobicContact CD1-CB 4.15Å; Y272-R276 HydrophobicContact CE1-CB 3.77Å; Y272-R276 HydrophobicContact CE1-CG 3.78Å; Y272-R276 VanDerWaalsContact O-CB 3.24Å; Y272-R276 WeakPolarHBondContact O-CB 3.49Å; Y272-R276 PolarHBondContact O-N 3.43Å; F273-R276 PolarHBondContact O-N 3.38Å
277	L	95.6	Very high	86.6	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-113.6	-2.3	-174.6	-67.8	177.2	0	0	0	113.7	K9 I11 E180 C183 F273 L279	K9-L277 HydrophobicContact CB-CD1 4.38Å; K9-L277 WeakPolarHBondContact CE-O 3.35Å; K9-L277 PolarHBondContact NZ-O 3.08Å; I11-L277 HydrophobicContact CD1-CD1 4.03Å; I11-L277 HydrophobicContact CG1-CD1 3.87Å; E180-L277 WeakPolarHBondContact O-CA 3.32Å; C183-L277 HydrophobicContact CB-CD1 4Å; C183-L277 HydrophobicContact CB-CD2 3.8Å; C183-L277 HydrophobicContact CB-CG 4.08Å; F273-L277 HydrophobicContact CD1-CD1 4.13Å; F273-L277 WeakPolarHBondContact O-CB 3.32Å; F273-L277 PolarHBondContact O-N 2.91Å; L277-L279 VanDerWaalsContact C-N 3.31Å; L277-L279 HydrophobicContact CB-CD1 4.18Å; L277-L279 HydrophobicContact CB-CG 3.86Å; L277-L279 HydrophobicContact CD1-CD1 4.21Å; L277-L279 PolarHBondContact O-N 3.38Å
278	D	92.6	Very high	85.9	Confident	128 Å²	128	71.7 Å²	71.7	68%	0.684	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	49.4	-176.9	-167.5	35.8	0	0	0	111.4	L274	L274-D278 WeakPolarHBondContact O-CA 3.18Å; L274-D278 PolarHBondContact O-N 2.83Å
279	L	89.3	Confident	85.5	Confident	8 Å²	8	70.5 Å²	70.5	4%	0.042	33%	0.33	C	S	.	.			trans	-82	136.9	-177.4	-75.1	172.3	0	0	0	111	K9 L34 L39 V149 F273 L277 I281	K9-L279 HydrophobicContact CB-CD2 4.35Å; K9-L279 HydrophobicContact CG-CD2 3.65Å; L34-L279 HydrophobicContact CD2-CD1 3.97Å; L39-L279 HydrophobicContact CD1-CB 4.44Å; L39-L279 HydrophobicContact CD1-CD1 4.05Å; L39-L279 HydrophobicContact CD1-CD2 4.04Å; L39-L279 HydrophobicContact CD1-CG 4.43Å; V149-L279 HydrophobicContact CG2-CD1 4.45Å; V149-L279 HydrophobicContact CG2-CD2 3.76Å; F273-L279 HydrophobicContact CB-CD1 4.02Å; L277-L279 VanDerWaalsContact C-N 3.31Å; L277-L279 HydrophobicContact CB-CD1 4.18Å; L277-L279 HydrophobicContact CB-CG 3.86Å; L277-L279 HydrophobicContact CD1-CD1 4.21Å; L277-L279 PolarHBondContact O-N 3.38Å; L279-I281 HydrophobicContact CB-CD1 3.9Å; L279-I281 HydrophobicContact CB-CG1 3.93Å; L279-I281 HydrophobicContact CD1-CD1 4.12Å; L279-I281 PolarHBondContact O-N 2.9Å
280	P	86.8	Confident	85.1	Confident	81 Å²	81	75.3 Å²	75.3	53%	0.526	35%	0.354	S	S	.	.			trans	-79	62.5	179.6	35	-36.8	0	0	0	111.1	L39	L39-P280 HydrophobicContact CD2-CG 4.22Å
281	I	83.6	Confident	84.8	Confident	18 Å²	18	78.1 Å²	78.1	9%	0.092	37%	0.366	C	S	.	.			trans	-88.7	117.1	-179.4	-64.8	169.7	0	0	0	109.1	L34 C37 L39 V270 L274 L279	L34-I281 HydrophobicContact CD2-CD1 4.19Å; C37-I281 HydrophobicContact CB-CD1 4.36Å; C37-I281 HydrophobicContact CB-CG1 4.12Å; C37-I281 HydrophobicContact CB-CG2 3.8Å; L39-I281 HydrophobicContact CD1-CD1 4.22Å; L39-I281 HydrophobicContact CD1-CG1 3.92Å; L39-I281 HydrophobicContact CG-CG1 4.48Å; V270-I281 HydrophobicContact CG1-CD1 3.99Å; V270-I281 HydrophobicContact CG1-CG2 4.4Å; L274-I281 HydrophobicContact CD1-CB 4.34Å; L279-I281 HydrophobicContact CB-CD1 3.9Å; L279-I281 HydrophobicContact CB-CG1 3.93Å; L279-I281 HydrophobicContact CD1-CD1 4.12Å; L279-I281 PolarHBondContact O-N 2.9Å
282	E	75.1	Confident	84.6	Confident	131 Å²	131	74.9 Å²	74.9	61%	0.612	35%	0.348	S	S	*	.			trans	-79.2	141	171.3	-64.7	-173.2	-176	0	0	111	Q284	E282-Q284 HydrophobicContact CB-CG 4.15Å; E282-Q284 PolarHBondContact O-N 3.01Å; E282-Q284 PolarHBondContact OE2-NE2 3.47Å
283	R	68.3	Low	84.4	Confident	222 Å²	222	79.2 Å²	79.2	84%	0.838	37%	0.367	S	S	*	.			trans	-80.6	67.3	175.6	-68.1	-176.4	173.6	-173.2	-4.9	110.6
284	Q	68.3	Low	84.1	Confident	127 Å²	127	81 Å²	81	59%	0.593	38%	0.376	S	S	*	.			trans	-102.7	156.8	173.3	-63.1	-163	18.3	0	0	111.6	E282 R286	E282-Q284 HydrophobicContact CB-CG 4.15Å; E282-Q284 PolarHBondContact O-N 3.01Å; E282-Q284 PolarHBondContact OE2-NE2 3.47Å; Q284-R286 PolarHBondContact O-N 3.27Å
285	P	63.6	Low	84	Confident	101 Å²	101	78.4 Å²	78.4	66%	0.656	36%	0.362	S	S	*	.			trans	-58	120.9	172.3	-20.4	31.3	0	0	0	110.8	K287 M290	P285-K287 VanDerWaalsContact C-N 3.34Å; P285-K287 PolarHBondContact O-N 3.23Å; P285-M290 HydrophobicContact CB-CE 4.19Å
286	R	78.6	Confident	83.9	Confident	55 Å²	55	69.7 Å²	69.7	21%	0.208	33%	0.329	C	S	.	.			trans	-78.4	80.1	-175.6	-61.9	176	-173.5	158.5	4.1	110.7	E265 Q284 M288 L289 M290	E265-R286 WeakPolarHBondContact OE1-CD 3.34Å; E265-R286 IonicContact OE1-CZ 3.56Å; E265-R286 IonicContact OE1-NE 3.9Å; E265-R286 IonicContact OE1-NH1 2.75Å; E265-R286 PolarHBondContact OE1-NH1 3.44Å; Q284-R286 PolarHBondContact O-N 3.27Å; R286-M288 PolarHBondContact O-N 3.26Å; R286-L289 HydrophobicContact CB-CB 3.79Å; R286-L289 HydrophobicContact CB-CD2 4.39Å; R286-L289 PolarHBondContact O-N 2.92Å; R286-M290 PolarHBondContact O-N 3.36Å; R286-M290 VanDerWaalsContact O-N 3.12Å
287	K	76.8	Confident	83.6	Confident	169 Å²	169	69.9 Å²	69.9	74%	0.735	33%	0.333	S	S	*	.	H	α-helix	trans	-51	-42	-179	-67.6	-175.4	179.6	-178.3	0	112.9	P285 L289 M290 K291	P285-K287 VanDerWaalsContact C-N 3.34Å; P285-K287 PolarHBondContact O-N 3.23Å; K287-L289 VanDerWaalsContact C-N 3.35Å; K287-L289 PolarHBondContact O-N 2.87Å; K287-M290 WeakPolarHBondContact O-CB 3.3Å; K287-M290 PolarHBondContact O-N 3.45Å; K287-K291 PolarHBondContact O-N 3.49Å
288	M	81.2	Confident	83.3	Confident	48 Å²	48	71.7 Å²	71.7	24%	0.236	34%	0.34	C	S	.	.	H	α-helix	trans	-60.1	-45.7	177.5	-177.6	-178.3	-179.8	0	0	111.2	T32 K35 R286 M290 K291 W292	T32-M288 HydrophobicContact CG2-CE 4.09Å; K35-M288 HydrophobicContact CB-SD 4.47Å; K35-M288 HydrophobicContact CG-SD 4.33Å; R286-M288 PolarHBondContact O-N 3.26Å; M288-M290 VanDerWaalsContact C-N 3.29Å; M288-M290 PolarHBondContact O-N 2.93Å; M288-K291 WeakPolarHBondContact O-CB 3.32Å; M288-K291 PolarHBondContact O-N 2.74Å; M288-W292 VanDerWaalsContact O-CD1 3.31Å; M288-W292 PolarHBondContact O-N 3.32Å
289	L	84.4	Confident	83.1	Confident	5 Å²	5	69.3 Å²	69.3	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-70.3	-27.2	-176.5	-157.9	50	0	0	0	112.7	P261 L262 E265 R286 K287 K291 W292 K293	P261-L289 HydrophobicContact CB-CD1 4.35Å; L262-L289 HydrophobicContact CD2-CD1 3.69Å; L262-L289 HydrophobicContact CD2-CG 3.91Å; E265-L289 HydrophobicContact CB-CD2 4.38Å; E265-L289 HydrophobicContact CG-CD2 4.2Å; E265-L289 WeakPolarHBondContact OE1-CD2 3.21Å; E265-L289 WeakPolarHBondContact OE2-CD2 3.36Å; R286-L289 HydrophobicContact CB-CB 3.79Å; R286-L289 HydrophobicContact CB-CD2 4.39Å; R286-L289 PolarHBondContact O-N 2.92Å; K287-L289 VanDerWaalsContact C-N 3.35Å; K287-L289 PolarHBondContact O-N 2.87Å; L289-K291 VanDerWaalsContact C-N 3.34Å; L289-W292 HydrophobicContact CD1-CB 4.17Å; L289-W292 HydrophobicContact CD1-CG 4.49Å; L289-W292 WeakPolarHBondContact O-CB 3.34Å; L289-W292 PolarHBondContact O-N 3.37Å; L289-K293 PolarHBondContact O-N 3.44Å
290	M	86.4	Confident	83	Confident	104 Å²	104	72.8 Å²	72.8	51%	0.512	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-42.3	167.5	-65.1	-177.7	-175.5	0	0	111.7	P285 R286 K287 M288 W292 K293 E294	P285-M290 HydrophobicContact CB-CE 4.19Å; R286-M290 PolarHBondContact O-N 3.36Å; R286-M290 VanDerWaalsContact O-N 3.12Å; K287-M290 WeakPolarHBondContact O-CB 3.3Å; K287-M290 PolarHBondContact O-N 3.45Å; M288-M290 VanDerWaalsContact C-N 3.29Å; M288-M290 PolarHBondContact O-N 2.93Å; M290-W292 VanDerWaalsContact C-N 3.3Å; M290-W292 PolarHBondContact O-N 3.04Å; M290-K293 WeakPolarHBondContact O-CB 3.49Å; M290-K293 PolarHBondContact O-N 3.17Å; M290-K293 VanDerWaalsContact O-N 3.17Å; M290-E294 WeakPolarHBondContact O-CG 3.43Å; M290-E294 PolarHBondContact O-N 2.95Å
291	K	86.1	Confident	83	Confident	66 Å²	66	77.3 Å²	77.3	29%	0.287	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-38.6	175.4	-60.9	-175.8	177.9	-172.5	0	111.9	K287 M288 L289 E294 M295 I541 D576	K287-K291 PolarHBondContact O-N 3.49Å; M288-K291 WeakPolarHBondContact O-CB 3.32Å; M288-K291 PolarHBondContact O-N 2.74Å; L289-K291 VanDerWaalsContact C-N 3.34Å; K291-E294 PolarHBondContact O-N 3.2Å; K291-M295 WeakPolarHBondContact O-CB 3.36Å; K291-M295 PolarHBondContact O-N 2.92Å; K291-I541 HydrophobicContact CB-CD1 3.95Å; K291-I541 HydrophobicContact CD-CD1 4.2Å; K291-D576 IonicContact NZ-OD1 3.84Å
292	W	89.2	Confident	83.1	Confident	5 Å²	5	78 Å²	78	2%	0.019	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-42.9	173.4	-80.4	81.6	0	0	0	112.2	T32 F84 Y258 P261 L262 M288 L289 M290 M295 A296	T32-W292 HydrophobicContact CG2-CD2 4.07Å; T32-W292 VanDerWaalsContact CG2-CE2 3.46Å; T32-W292 HydrophobicContact CG2-CH2 4.34Å; T32-W292 HydrophobicContact CG2-CZ2 3.66Å; F84-W292 HydrophobicContact CB-CH2 4.15Å; F84-W292 HydrophobicContact CB-CZ2 4.42Å; F84-W292 AromaticContact CD1-CH2 3.27Å; F84-W292 HydrophobicContact CD1-CH2 3.27Å; F84-W292 HydrophobicContact CD1-CZ2 4.2Å; F84-W292 AromaticContact CD1-CZ3 3.79Å; F84-W292 HydrophobicContact CD1-CZ3 3.79Å; F84-W292 HydrophobicContact CD2-CH2 4.23Å; F84-W292 AromaticContact CE1-CH2 3.58Å; F84-W292 HydrophobicContact CE1-CH2 3.58Å; F84-W292 AromaticContact CE1-CZ3 3.63Å; F84-W292 HydrophobicContact CE1-CZ3 3.63Å; F84-W292 HydrophobicContact CE2-CH2 4.47Å; F84-W292 AromaticContact CG-CH2 3.63Å; F84-W292 HydrophobicContact CG-CH2 3.63Å; F84-W292 HydrophobicContact CG-CZ2 4.37Å; F84-W292 HydrophobicContact CZ-CH2 4.17Å; F84-W292 HydrophobicContact CZ-CZ3 4.24Å; F84-W292 WeakPolarHBondContact O-CZ2 3.47Å; Y258-W292 HydrophobicContact CD1-CE3 4.2Å; Y258-W292 HydrophobicContact CD1-CH2 4.19Å; Y258-W292 AromaticContact CD1-CZ3 3.6Å; Y258-W292 HydrophobicContact CD1-CZ3 3.6Å; Y258-W292 HydrophobicContact CG-CZ3 4.41Å; P261-W292 HydrophobicContact CG-CE3 3.85Å; P261-W292 HydrophobicContact CG-CZ3 3.85Å; L262-W292 HydrophobicContact CD2-CB 4.45Å; M288-W292 VanDerWaalsContact O-CD1 3.31Å; M288-W292 PolarHBondContact O-N 3.32Å; L289-W292 HydrophobicContact CD1-CB 4.17Å; L289-W292 HydrophobicContact CD1-CG 4.49Å; L289-W292 WeakPolarHBondContact O-CB 3.34Å; L289-W292 PolarHBondContact O-N 3.37Å; M290-W292 VanDerWaalsContact C-N 3.3Å; M290-W292 PolarHBondContact O-N 3.04Å; W292-M295 HydrophobicContact CD2-CE 3.76Å; W292-M295 HydrophobicContact CE3-CE 3.6Å; W292-M295 HydrophobicContact CG-CE 4.3Å; W292-M295 HydrophobicContact CH2-CE 4.33Å; W292-M295 HydrophobicContact CZ2-CE 4.49Å; W292-M295 HydrophobicContact CZ3-CE 3.94Å; W292-M295 PolarHBondContact O-N 3.16Å; W292-A296 WeakPolarHBondContact O-CB 3.38Å; W292-A296 PolarHBondContact O-N 3.02Å
293	K	90.4	Very high	83.3	Confident	120 Å²	120	79.5 Å²	79.5	52%	0.522	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-47.8	174.8	-174.6	175.9	179.4	175.2	0	112.2	L262 L289 M290 M295 A296 D297	L262-K293 HydrophobicContact CD1-CB 4.09Å; L262-K293 HydrophobicContact CD1-CG 4.37Å; L262-K293 HydrophobicContact CD2-CB 4.1Å; L289-K293 PolarHBondContact O-N 3.44Å; M290-K293 WeakPolarHBondContact O-CB 3.49Å; M290-K293 PolarHBondContact O-N 3.17Å; M290-K293 VanDerWaalsContact O-N 3.17Å; K293-M295 VanDerWaalsContact C-N 3.31Å; K293-M295 PolarHBondContact O-N 2.97Å; K293-A296 PolarHBondContact O-N 3.08Å; K293-D297 WeakPolarHBondContact O-CB 3.15Å; K293-D297 PolarHBondContact O-N 3.23Å
294	E	89.2	Confident	84.4	Confident	39 Å²	39	73.8 Å²	73.8	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-60.2	-41.8	176.9	-71.6	-176.4	-178.9	0	0	112.3	M290 K291 R298 Y574 S575	M290-E294 WeakPolarHBondContact O-CG 3.43Å; M290-E294 PolarHBondContact O-N 2.95Å; K291-E294 PolarHBondContact O-N 3.2Å; E294-R298 WeakPolarHBondContact O-CB 3.41Å; E294-R298 VanDerWaalsContact O-CG 3.25Å; E294-R298 WeakPolarHBondContact O-CG 3.5Å; E294-R298 PolarHBondContact O-N 2.76Å; E294-Y574 HydrophobicContact CB-CD1 4.29Å; E294-Y574 WeakPolarHBondContact OE2-CA 3.34Å; E294-Y574 WeakPolarHBondContact OE2-CB 3.49Å; E294-S575 WeakPolarHBondContact OE1-CB 3.44Å; E294-S575 PolarHBondContact OE1-N 2.96Å; E294-S575 PolarHBondContact OE1-OG 3.39Å; E294-S575 PolarHBondContact OE2-N 3Å
295	M	89.6	Confident	85.6	Confident	0 Å²	0	71 Å²	71	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-48.8	174.8	157.8	162	74	0	0	112	Y258 K291 W292 K293 R298 Y299 L333 P540 Y574	Y258-M295 HydrophobicContact CD1-CE 3.4Å; Y258-M295 VanDerWaalsContact CD1-CE 3.4Å; Y258-M295 HydrophobicContact CD1-SD 3.82Å; Y258-M295 HydrophobicContact CD2-CE 4.27Å; Y258-M295 HydrophobicContact CD2-CG 3.75Å; Y258-M295 HydrophobicContact CD2-SD 3.8Å; Y258-M295 HydrophobicContact CE1-CE 3.98Å; Y258-M295 HydrophobicContact CE1-SD 3.97Å; Y258-M295 HydrophobicContact CE2-CG 4.34Å; Y258-M295 HydrophobicContact CE2-SD 3.96Å; Y258-M295 HydrophobicContact CG-CE 3.59Å; Y258-M295 HydrophobicContact CG-CG 3.89Å; Y258-M295 HydrophobicContact CG-SD 3.75Å; K291-M295 WeakPolarHBondContact O-CB 3.36Å; K291-M295 PolarHBondContact O-N 2.92Å; W292-M295 HydrophobicContact CD2-CE 3.76Å; W292-M295 HydrophobicContact CE3-CE 3.6Å; W292-M295 HydrophobicContact CG-CE 4.3Å; W292-M295 HydrophobicContact CH2-CE 4.33Å; W292-M295 HydrophobicContact CZ2-CE 4.49Å; W292-M295 HydrophobicContact CZ3-CE 3.94Å; W292-M295 PolarHBondContact O-N 3.16Å; K293-M295 VanDerWaalsContact C-N 3.31Å; K293-M295 PolarHBondContact O-N 2.97Å; M295-R298 PolarHBondContact O-N 3.39Å; M295-Y299 PolarHBondContact O-N 3.29Å; M295-L333 HydrophobicContact CB-CD2 4.13Å; M295-L333 HydrophobicContact CG-CD2 3.43Å; M295-L333 VanDerWaalsContact CG-CD2 3.43Å; M295-L333 HydrophobicContact SD-CD2 3.66Å; M295-P540 HydrophobicContact CE-CB 3.79Å; M295-P540 HydrophobicContact SD-CB 3.39Å; M295-P540 WeakPolarHBondContact SD-CB 3.38Å; M295-Y574 HydrophobicContact CB-CE1 4.13Å
296	A	91	Very high	87.2	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.008	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-44.8	178.8	0	0	0	0	0	111.2	L262 W292 K293 R298 Y299 D300	L262-A296 HydrophobicContact CD1-CB 4.03Å; W292-A296 WeakPolarHBondContact O-CB 3.38Å; W292-A296 PolarHBondContact O-N 3.02Å; K293-A296 PolarHBondContact O-N 3.08Å; A296-R298 VanDerWaalsContact C-N 3.31Å; A296-R298 PolarHBondContact O-N 2.95Å; A296-Y299 WeakPolarHBondContact O-CB 3.38Å; A296-Y299 PolarHBondContact O-N 3.13Å; A296-D300 PolarHBondContact O-N 2.95Å
297	D	90.2	Very high	88.1	Confident	40 Å²	40	63.7 Å²	63.7	21%	0.214	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-34.8	177.7	-76.1	-10.7	0	0	0	112.6	R259 K293 R301	R259-D297 IonicContact NH1-OD1 2.75Å; K293-D297 WeakPolarHBondContact O-CB 3.15Å; K293-D297 PolarHBondContact O-N 3.23Å; D297-R301 VanDerWaalsContact O-CG 3.28Å; D297-R301 WeakPolarHBondContact O-CG 3.18Å; D297-R301 IonicContact OD2-NH2 3.76Å
298	R	88.2	Confident	89.1	Confident	38 Å²	38	55.7 Å²	55.7	14%	0.143	26%	0.261	C	S	.	.	H	α-helix	trans	-67.2	-43.2	174.1	-78.5	176.3	-168.6	-155.4	-0.1	111.7	E294 M295 A296 D300 R301 L302 L333 D572 T573	E294-R298 WeakPolarHBondContact O-CB 3.41Å; E294-R298 VanDerWaalsContact O-CG 3.25Å; E294-R298 WeakPolarHBondContact O-CG 3.5Å; E294-R298 PolarHBondContact O-N 2.76Å; M295-R298 PolarHBondContact O-N 3.39Å; A296-R298 VanDerWaalsContact C-N 3.31Å; A296-R298 PolarHBondContact O-N 2.95Å; R298-D300 PolarHBondContact O-N 3.34Å; R298-R301 PolarHBondContact O-N 2.94Å; R298-L302 WeakPolarHBondContact O-CG 3.34Å; R298-L302 PolarHBondContact O-N 3.44Å; R298-L333 HydrophobicContact CB-CD1 3.78Å; R298-D572 PolarHBondContact NH1-O 3.39Å; R298-T573 VanDerWaalsContact NH2-C 3.26Å; R298-T573 PolarHBondContact NH2-O 3.19Å
299	Y	88.7	Confident	89.9	Confident	77 Å²	77	53.4 Å²	53.4	30%	0.302	25%	0.25	S	S	.	.	H	α-helix	trans	-55.6	-40.3	179.1	-170.1	-86.4	0	0	0	111.7	S255 M295 A296 R301 L302	S255-Y299 VanDerWaalsContact O-CE1 3.31Å; S255-Y299 WeakPolarHBondContact O-CE1 3.37Å; M295-Y299 PolarHBondContact O-N 3.29Å; A296-Y299 WeakPolarHBondContact O-CB 3.38Å; A296-Y299 PolarHBondContact O-N 3.13Å; Y299-R301 VanDerWaalsContact C-N 3.28Å; Y299-R301 PolarHBondContact O-N 3.03Å; Y299-L302 HydrophobicContact CD2-CD1 4.45Å; Y299-L302 WeakPolarHBondContact O-CG 3.4Å
300	D	86.9	Confident	90.6	Very high	81 Å²	81	53.1 Å²	53.1	43%	0.433	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-17.1	179.1	-65.4	-25.5	0	0	0	113.7	S255 R259 A296 R298	S255-D300 WeakPolarHBondContact CB-OD1 3.35Å; S255-D300 PolarHBondContact OG-OD1 2.84Å; R259-D300 IonicContact NH1-OD2 3.52Å; A296-D300 PolarHBondContact O-N 2.95Å; R298-D300 PolarHBondContact O-N 3.34Å
301	R	87.6	Confident	91.1	Very high	176 Å²	176	48.2 Å²	48.2	66%	0.664	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	12.8	-173.7	-64.1	178.1	-157.6	169.5	10.5	114	D297 R298 Y299 L303	D297-R301 VanDerWaalsContact O-CG 3.28Å; D297-R301 WeakPolarHBondContact O-CG 3.18Å; D297-R301 IonicContact OD2-NH2 3.76Å; R298-R301 PolarHBondContact O-N 2.94Å; Y299-R301 VanDerWaalsContact C-N 3.28Å; Y299-R301 PolarHBondContact O-N 3.03Å; R301-L303 PolarHBondContact O-N 3.31Å
302	L	84.4	Confident	91.4	Very high	33 Å²	33	45 Å²	45	17%	0.173	21%	0.211	C	C	.	.			trans	-70.3	119.7	-178.6	-60.3	172.4	0	0	0	111.1	R298 Y299 N336 K338	R298-L302 WeakPolarHBondContact O-CG 3.34Å; R298-L302 PolarHBondContact O-N 3.44Å; Y299-L302 HydrophobicContact CD2-CD1 4.45Å; Y299-L302 WeakPolarHBondContact O-CG 3.4Å; L302-N336 VanDerWaalsContact CD2-C 3.45Å; L302-K338 HydrophobicContact CB-CB 4Å
303	L	80	Confident	91.3	Very high	162 Å²	162	46 Å²	46	85%	0.848	22%	0.215	S	C	*	.			trans	-106.6	-43.2	-177.3	-61.1	177.9	0	0	0	113.2	R301	R301-L303 PolarHBondContact O-N 3.31Å
304	E	91.3	Very high	90.7	Very high	103 Å²	103	41.7 Å²	41.7	48%	0.481	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	137.2	-179.2	-63.5	-175.7	160.7	0	0	110.2	H337 K338 R557	E304-H337 CarbonylContact O-C 3.6Å; E304-H337 VanDerWaalsContact O-CA 3.25Å; E304-H337 WeakPolarHBondContact O-CA 3.2Å; E304-H337 IonicContact OE2-CE1 3.54Å; E304-H337 PolarHBondContact OE2-CE1 2.91Å; E304-H337 IonicContact OE2-NE2 2.7Å; E304-H337 PolarHBondContact OE2-NE2 3.17Å; E304-K338 PolarHBondContact O-N 3.32Å; E304-R557 IonicContact OE2-NH2 2.71Å; E304-R557 PolarHBondContact OE2-NH2 3.45Å
305	T	94.6	Very high	90.1	Very high	68 Å²	68	41.2 Å²	41.2	42%	0.417	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.8	-179.9	-57.9	0	0	0	0	110.8	K338 E340	T305-K338 CarbonylContact C-O 3.55Å; T305-K338 WeakPolarHBondContact CA-O 3.42Å; T305-E340 HydrophobicContact CG2-CB 3.65Å
306	C	96.3	Very high	89.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.1	168.6	-177	0	0	0	0	109	H337 K338 E340 V555	C306-H337 HydrophobicContact CB-CB 4.06Å; C306-K338 PolarHBondContact N-O 3.15Å; C306-E340 PolarHBondContact O-N 3.01Å; C306-V555 HydrophobicContact CB-CG1 4Å
307	S	97.8	Very high	88.3	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.1	-178	67.2	0	0	0	0	112.5	E340 H372 G373	S307-E340 CarbonylContact C-O 3.36Å; S307-E340 VanDerWaalsContact CA-O 3.24Å; S307-E340 WeakPolarHBondContact CA-O 3.43Å; S307-E340 WeakPolarHBondContact CB-OE2 3.39Å; S307-H372 PolarHBondContact N-ND1 3.06Å; S307-H372 WeakPolarHBondContact O-CB 3.3Å; S307-H372 PolarHBondContact O-N 3.3Å; S307-H372 PolarHBondContact OG-CE1 2.83Å; S307-H372 PolarHBondContact OG-ND1 3.12Å; S307-G373 PolarHBondContact O-N 3.3Å
308	I	98.4	Very high	87.2	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.2	-179.2	-56.7	-61.9	0	0	0	109	L339 E340 K342 G373 L375 L550 L551 S554	I308-L339 HydrophobicContact CG1-CD1 4Å; I308-E340 PolarHBondContact N-O 2.81Å; I308-K342 PolarHBondContact O-N 2.84Å; I308-G373 WeakPolarHBondContact CA-O 3.47Å; I308-L375 HydrophobicContact CG2-CB 4.12Å; I308-L550 HydrophobicContact CG2-CD2 4.38Å; I308-L551 HydrophobicContact CD1-CD1 4.03Å; I308-L551 HydrophobicContact CG1-CD1 4.01Å; I308-S554 WeakPolarHBondContact CD1-OG 3.42Å
309	A	98.3	Very high	86.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	115.4	171.3	0	0	0	0	0	109.7	K342 I344 L368 A371 G373 L375	A309-K342 WeakPolarHBondContact CA-O 3.25Å; A309-I344 HydrophobicContact CB-CD1 3.87Å; A309-L368 HydrophobicContact CB-CD1 3.83Å; A309-A371 HydrophobicContact CB-CB 3.59Å; A309-G373 PolarHBondContact N-O 2.99Å; A309-L375 PolarHBondContact O-N 2.73Å
310	L	97.8	Very high	86.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	106.7	173.4	-170.9	161.7	0	0	0	108.1	G312 Y321 V324 I341 K342 I344 L375 P377	L310-G312 PolarHBondContact O-N 2.61Å; L310-Y321 HydrophobicContact CD1-CG 4.42Å; L310-Y321 HydrophobicContact CD2-CD2 3.9Å; L310-Y321 HydrophobicContact CD2-CE2 3.95Å; L310-Y321 HydrophobicContact CD2-CG 4.27Å; L310-V324 HydrophobicContact CD1-CG1 4.05Å; L310-I341 HydrophobicContact CB-CG2 3.95Å; L310-I341 HydrophobicContact CD1-CG2 4.36Å; L310-K342 PolarHBondContact N-O 2.98Å; L310-I344 PolarHBondContact O-N 2.88Å; L310-L375 HydrophobicContact CD1-CD2 4.43Å; L310-L375 HydrophobicContact CG-CD2 4.48Å; L310-P377 HydrophobicContact CD2-CG 4.1Å
311	V	97.2	Very high	86.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	94.3	-176.9	-174.8	0	0	0	0	109.1	I344 L349 L368 V374 L375 V376 P377 K388 A391	V311-I344 HydrophobicContact CG2-CB 4.34Å; V311-I344 HydrophobicContact CG2-CD1 4.42Å; V311-L349 HydrophobicContact CG1-CD1 3.82Å; V311-L349 HydrophobicContact CG2-CD1 4.47Å; V311-L368 HydrophobicContact CG2-CD1 4.17Å; V311-V374 HydrophobicContact CG2-CG1 4.26Å; V311-L375 PolarHBondContact N-O 2.72Å; V311-V376 HydrophobicContact CB-CG2 4.22Å; V311-P377 WeakPolarHBondContact O-CD 3.34Å; V311-K388 HydrophobicContact CG1-CG 4.12Å; V311-A391 HydrophobicContact CG1-CB 4.18Å; V311-A391 HydrophobicContact CG2-CB 4Å
312	G	92.8	Very high	86.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	169.6	-168.5	0	0	0	0	0	113.6	L310 Y321 I344 D345 S346	L310-G312 PolarHBondContact O-N 2.61Å; G312-Y321 WeakPolarHBondContact CA-OH 3.46Å; G312-I344 PolarHBondContact N-O 2.88Å; G312-D345 WeakPolarHBondContact O-CA 3.42Å; G312-S346 PolarHBondContact O-N 3.49Å; G312-S346 PolarHBondContact O-OG 3.46Å
313	K	85.7	Confident	87.3	Confident	26 Å²	26	42.8 Å²	42.8	11%	0.113	22%	0.219	C	C	.	.	S	Bend	trans	-92.3	-21	174.7	175.6	178.7	174.4	-167.1	0	112.4	Y60 Y321 F380 R383	Y60-K313 PolarHBondContact OH-O 3.35Å; K313-Y321 PolarHBondContact N-OH 2.87Å; K313-F380 PolarHBondContact NZ-O 3.28Å; K313-R383 VanDerWaalsContact CE-NE 3.35Å; K313-R383 VanDerWaalsContact CE-NH2 3.31Å; K313-R383 VanDerWaalsContact CG-CZ 3.48Å; K313-R383 PolarHBondContact O-NH2 3.35Å
314	Y	78.7	Confident	88.1	Confident	29 Å²	29	35.1 Å²	35.1	11%	0.114	18%	0.179	C	C	.	.			trans	-121.2	58.1	-170.2	-55.6	-85.6	0	0	0	111.5	P59 Y60 S320 Y321	P59-Y314 HydrophobicContact CB-CD1 4.29Å; P59-Y314 HydrophobicContact CB-CD2 4.46Å; P59-Y314 HydrophobicContact CB-CE1 4.37Å; P59-Y314 HydrophobicContact CB-CG 4.4Å; P59-Y314 HydrophobicContact CG-CE1 4.47Å; P59-Y314 HydrophobicContact CG-CE2 4.28Å; Y60-Y314 AromaticContact CD1-CD1 3.72Å; Y60-Y314 HydrophobicContact CD1-CD1 3.72Å; Y60-Y314 AromaticContact CD2-CD1 3.42Å; Y60-Y314 HydrophobicContact CD2-CD1 3.42Å; Y60-Y314 VanDerWaalsContact CD2-CD1 3.42Å; Y60-Y314 AromaticContact CD2-CE1 3.56Å; Y60-Y314 HydrophobicContact CD2-CE1 3.56Å; Y60-Y314 AromaticContact CE1-CD1 3.56Å; Y60-Y314 HydrophobicContact CE1-CD1 3.56Å; Y60-Y314 HydrophobicContact CE1-CG 4.17Å; Y60-Y314 AromaticContact CE2-CD1 3.23Å; Y60-Y314 HydrophobicContact CE2-CD1 3.23Å; Y60-Y314 AromaticContact CE2-CE1 3.53Å; Y60-Y314 HydrophobicContact CE2-CE1 3.53Å; Y60-Y314 HydrophobicContact CE2-CG 4.36Å; Y60-Y314 AromaticContact CG-CD1 3.67Å; Y60-Y314 HydrophobicContact CG-CD1 3.67Å; Y60-Y314 HydrophobicContact CG-CE1 4.14Å; Y60-Y314 AromaticContact CZ-CD1 3.31Å; Y60-Y314 WeakPolarHBondContact OH-CA 3.28Å; Y314-S320 VanDerWaalsContact CB-CB 3.49Å; Y314-Y321 PolarHBondContact N-OH 2.99Å; Y314-Y321 WeakPolarHBondContact O-CE2 3.31Å
315	T	75.9	Confident	88.3	Confident	29 Å²	29	31 Å²	31	18%	0.178	16%	0.16	C	C	.	.			trans	-88.3	-9.5	-171.4	52.2	0	0	0	0	115.2	I344	T315-I344 WeakPolarHBondContact CG2-O 3.29Å
316	K	72.9	Confident	88.2	Confident	169 Å²	169	30 Å²	30	74%	0.735	15%	0.15	S	C	*	.	S	Bend	trans	-75.5	-29.8	-178.5	-67.1	-173.5	179	-177.7	0	113.7
317	F	70.4	Confident	88.3	Confident	119 Å²	119	30 Å²	30	52%	0.522	15%	0.15	S	C	.	.			trans	-121	123.9	-179.2	-63.6	-82.2	0	0	0	108.8	Y60 D319 S320	Y60-F317 AromaticContact CD1-CD2 3.64Å; Y60-F317 HydrophobicContact CD1-CD2 3.64Å; Y60-F317 HydrophobicContact CD1-CE2 4.23Å; Y60-F317 HydrophobicContact CE1-CD2 4.03Å; F317-D319 PolarHBondContact O-N 3.06Å; F317-S320 PolarHBondContact O-N 3.1Å
318	S	66.9	Low	88.2	Confident	63 Å²	63	29.8 Å²	29.8	44%	0.441	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-57.7	-31.2	177.5	46.5	0	0	0	0	112.4	S320 Y321 A322 I325	S318-S320 PolarHBondContact O-N 2.81Å; S318-Y321 PolarHBondContact O-N 2.79Å; S318-Y321 VanDerWaalsContact O-N 3.16Å; S318-A322 PolarHBondContact O-N 2.76Å; S318-I325 WeakPolarHBondContact O-CD1 3.45Å
319	D	76.9	Confident	88	Confident	95 Å²	95	31.7 Å²	31.7	51%	0.508	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-72.3	-20.7	-169.1	-60.7	-2.3	0	0	0	112.5	E64 F317 Y321 A322	E64-D319 PolarHBondContact N-O 3.06Å; F317-D319 PolarHBondContact O-N 3.06Å; D319-Y321 PolarHBondContact O-N 2.89Å; D319-A322 PolarHBondContact O-N 2.76Å
320	S	85.6	Confident	87.9	Confident	5 Å²	5	31.8 Å²	31.8	4%	0.035	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-66.6	-16.3	174.6	-55	0	0	0	0	113.5	P59 Y314 F317 S318	P59-S320 PolarHBondContact O-OG 2.99Å; Y314-S320 VanDerWaalsContact CB-CB 3.49Å; F317-S320 PolarHBondContact O-N 3.1Å; S318-S320 PolarHBondContact O-N 2.81Å
321	Y	90.8	Very high	87.8	Confident	9 Å²	9	31.8 Å²	31.8	4%	0.035	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-130.6	25.6	177.6	-65.4	-63.1	0	0	0	112	L310 G312 K313 Y314 S318 D319 S323 V324 I325 P377	L310-Y321 HydrophobicContact CD1-CG 4.42Å; L310-Y321 HydrophobicContact CD2-CD2 3.9Å; L310-Y321 HydrophobicContact CD2-CE2 3.95Å; L310-Y321 HydrophobicContact CD2-CG 4.27Å; G312-Y321 WeakPolarHBondContact CA-OH 3.46Å; K313-Y321 PolarHBondContact N-OH 2.87Å; Y314-Y321 PolarHBondContact N-OH 2.99Å; Y314-Y321 WeakPolarHBondContact O-CE2 3.31Å; S318-Y321 PolarHBondContact O-N 2.79Å; S318-Y321 VanDerWaalsContact O-N 3.16Å; D319-Y321 PolarHBondContact O-N 2.89Å; Y321-S323 VanDerWaalsContact C-N 3.33Å; Y321-S323 PolarHBondContact O-N 3.19Å; Y321-V324 WeakPolarHBondContact O-CB 3.49Å; Y321-V324 PolarHBondContact O-N 2.76Å; Y321-I325 WeakPolarHBondContact O-CD1 3.43Å; Y321-I325 VanDerWaalsContact O-CG1 3.25Å; Y321-I325 WeakPolarHBondContact O-CG1 3.35Å; Y321-I325 PolarHBondContact O-N 2.83Å; Y321-P377 HydrophobicContact CD1-CB 4.06Å; Y321-P377 HydrophobicContact CD1-CG 3.91Å; Y321-P377 HydrophobicContact CE1-CB 3.79Å; Y321-P377 HydrophobicContact CE1-CG 3.34Å
322	A	91.3	Very high	87.6	Confident	19 Å²	19	31.9 Å²	31.9	16%	0.157	16%	0.159	C	C	.	.	H	α-helix	trans	-57	-42.6	-173.4	0	0	0	0	0	113	L76 S318 D319 V324 I325 K326	L76-A322 HydrophobicContact CD1-CB 4.08Å; L76-A322 HydrophobicContact CD2-CB 3.48Å; L76-A322 VanDerWaalsContact CD2-CB 3.48Å; L76-A322 HydrophobicContact CG-CB 4.37Å; S318-A322 PolarHBondContact O-N 2.76Å; D319-A322 PolarHBondContact O-N 2.76Å; A322-V324 PolarHBondContact O-N 2.77Å; A322-I325 PolarHBondContact O-N 3.48Å; A322-K326 WeakPolarHBondContact O-CB 3.34Å; A322-K326 WeakPolarHBondContact O-CG 3.35Å; A322-K326 PolarHBondContact O-N 3.08Å
323	S	94.5	Very high	87.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.8	-42.7	179.5	-60.3	0	0	0	0	111.8	E64 R83 Y321 K326 A327	E64-S323 WeakPolarHBondContact OE2-CA 3.42Å; E64-S323 WeakPolarHBondContact OE2-CB 3.39Å; E64-S323 PolarHBondContact OE2-N 3.43Å; E64-S323 PolarHBondContact OE2-OG 2.92Å; R83-S323 PolarHBondContact NH2-OG 2.74Å; Y321-S323 VanDerWaalsContact C-N 3.33Å; Y321-S323 PolarHBondContact O-N 3.19Å; S323-K326 PolarHBondContact O-N 3.26Å; S323-A327 WeakPolarHBondContact O-CB 3.23Å; S323-A327 PolarHBondContact O-N 3.44Å
324	V	95.9	Very high	87.8	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-48.9	176.8	175.6	0	0	0	0	110.8	L310 Y321 A322 K326 A327 L328 L375 P377 E535 Y547	L310-V324 HydrophobicContact CD1-CG1 4.05Å; Y321-V324 WeakPolarHBondContact O-CB 3.49Å; Y321-V324 PolarHBondContact O-N 2.76Å; A322-V324 PolarHBondContact O-N 2.77Å; V324-K326 VanDerWaalsContact C-N 3.34Å; V324-K326 PolarHBondContact O-N 3.45Å; V324-A327 PolarHBondContact O-N 3.03Å; V324-L328 HydrophobicContact CG1-CD1 4.31Å; V324-L328 WeakPolarHBondContact O-CG 3.4Å; V324-L328 PolarHBondContact O-N 3.2Å; V324-L375 HydrophobicContact CG1-CD2 3.4Å; V324-L375 VanDerWaalsContact CG1-CD2 3.4Å; V324-P377 HydrophobicContact CG2-CB 4.44Å; V324-E535 HydrophobicContact CG2-CB 4.43Å; V324-E535 HydrophobicContact CG2-CG 4.11Å; V324-Y547 HydrophobicContact CG1-CE1 3.99Å
325	I	94.8	Very high	88.4	Confident	15 Å²	15	29.9 Å²	29.9	8%	0.077	15%	0.152	C	C	.	.	H	α-helix	trans	-59.3	-46.4	178	-66.4	163	0	0	0	110	S318 Y321 A322 A327 L328 E329 I341 Y343	S318-I325 WeakPolarHBondContact O-CD1 3.45Å; Y321-I325 WeakPolarHBondContact O-CD1 3.43Å; Y321-I325 VanDerWaalsContact O-CG1 3.25Å; Y321-I325 WeakPolarHBondContact O-CG1 3.35Å; Y321-I325 PolarHBondContact O-N 2.83Å; A322-I325 PolarHBondContact O-N 3.48Å; I325-A327 PolarHBondContact O-N 2.95Å; I325-L328 WeakPolarHBondContact O-CB 3.31Å; I325-L328 PolarHBondContact O-N 2.93Å; I325-E329 HydrophobicContact CG2-CG 4.39Å; I325-E329 WeakPolarHBondContact O-CG 3.33Å; I325-E329 PolarHBondContact O-N 3.32Å; I325-I341 HydrophobicContact CB-CD1 4.02Å; I325-I341 HydrophobicContact CG1-CD1 3.64Å; I325-I341 HydrophobicContact CG2-CD1 3.69Å; I325-Y343 HydrophobicContact CD1-CE1 4.18Å; I325-Y343 WeakPolarHBondContact CD1-OH 3.34Å
326	K	94.1	Very high	89.1	Confident	47 Å²	47	30.5 Å²	30.5	20%	0.204	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-40.7	178.5	-67.8	-72.2	158.6	-150.1	0	112.2	I257 A322 S323 V324 L328 E329 H330	I257-K326 HydrophobicContact CD1-CD 4.37Å; A322-K326 WeakPolarHBondContact O-CB 3.34Å; A322-K326 WeakPolarHBondContact O-CG 3.35Å; A322-K326 PolarHBondContact O-N 3.08Å; S323-K326 PolarHBondContact O-N 3.26Å; V324-K326 VanDerWaalsContact C-N 3.34Å; V324-K326 PolarHBondContact O-N 3.45Å; K326-L328 VanDerWaalsContact C-N 3.34Å; K326-L328 PolarHBondContact O-N 2.92Å; K326-E329 WeakPolarHBondContact CD-OE2 3.49Å; K326-E329 IonicContact NZ-OE1 3.5Å; K326-E329 IonicContact NZ-OE2 2.64Å; K326-E329 PolarHBondContact NZ-OE2 2.87Å; K326-E329 PolarHBondContact O-N 2.9Å; K326-H330 PolarHBondContact O-CD2 2.94Å; K326-H330 PolarHBondContact O-N 2.82Å; K326-H330 PolarHBondContact O-ND1 2.84Å
327	A	96.9	Very high	90	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.7	-37.5	176.9	0	0	0	0	0	112.8	S323 V324 I325 S331 E535 Y547	S323-A327 WeakPolarHBondContact O-CB 3.23Å; S323-A327 PolarHBondContact O-N 3.44Å; V324-A327 PolarHBondContact O-N 3.03Å; I325-A327 PolarHBondContact O-N 2.95Å; A327-S331 WeakPolarHBondContact O-CB 3.42Å; A327-S331 PolarHBondContact O-N 3.46Å; A327-S331 PolarHBondContact O-OG 3.48Å; A327-E535 HydrophobicContact CB-CB 3.98Å; A327-Y547 HydrophobicContact CB-CD1 4.36Å; A327-Y547 HydrophobicContact CB-CD2 3.71Å; A327-Y547 HydrophobicContact CB-CE1 4.49Å; A327-Y547 HydrophobicContact CB-CE2 3.85Å; A327-Y547 HydrophobicContact CB-CG 3.97Å
328	L	97.1	Very high	91.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66	-43.7	171.2	-70.1	166.7	0	0	0	111.5	V324 I325 K326 S331 A332 L339 I341 L375 Y547 L550 L551	V324-L328 HydrophobicContact CG1-CD1 4.31Å; V324-L328 WeakPolarHBondContact O-CG 3.4Å; V324-L328 PolarHBondContact O-N 3.2Å; I325-L328 WeakPolarHBondContact O-CB 3.31Å; I325-L328 PolarHBondContact O-N 2.93Å; K326-L328 VanDerWaalsContact C-N 3.34Å; K326-L328 PolarHBondContact O-N 2.92Å; L328-S331 WeakPolarHBondContact O-CB 3.46Å; L328-S331 PolarHBondContact O-N 2.86Å; L328-A332 WeakPolarHBondContact O-CB 3.48Å; L328-A332 PolarHBondContact O-N 2.75Å; L328-L339 HydrophobicContact CB-CD1 4.25Å; L328-L339 HydrophobicContact CB-CD2 3.47Å; L328-L339 VanDerWaalsContact CB-CD2 3.47Å; L328-I341 HydrophobicContact CD1-CD1 4.27Å; L328-L375 HydrophobicContact CD1-CD2 3.88Å; L328-L375 HydrophobicContact CD2-CD2 4.49Å; L328-L375 HydrophobicContact CG-CD2 4.46Å; L328-Y547 HydrophobicContact CD2-CD1 3.62Å; L328-Y547 HydrophobicContact CD2-CE1 4.23Å; L328-Y547 HydrophobicContact CG-CD1 3.8Å; L328-Y547 HydrophobicContact CG-CE1 4.1Å; L328-L550 HydrophobicContact CD2-CD2 4.27Å; L328-L551 HydrophobicContact CD2-CD1 3.51Å
329	E	94.7	Very high	92.5	Very high	40 Å²	40	21.7 Å²	21.7	19%	0.187	11%	0.109	C	C	.	.	H	α-helix	trans	-61.4	-43.7	177.7	-75.3	177.8	167.4	0	0	111.9	I325 K326 S331 A332 L333 L339	I325-E329 HydrophobicContact CG2-CG 4.39Å; I325-E329 WeakPolarHBondContact O-CG 3.33Å; I325-E329 PolarHBondContact O-N 3.32Å; K326-E329 WeakPolarHBondContact CD-OE2 3.49Å; K326-E329 IonicContact NZ-OE1 3.5Å; K326-E329 IonicContact NZ-OE2 2.64Å; K326-E329 PolarHBondContact NZ-OE2 2.87Å; K326-E329 PolarHBondContact O-N 2.9Å; E329-S331 VanDerWaalsContact C-N 3.27Å; E329-S331 PolarHBondContact O-N 2.88Å; E329-A332 PolarHBondContact O-N 2.8Å; E329-L333 WeakPolarHBondContact O-CB 3.29Å; E329-L333 PolarHBondContact O-N 2.84Å; E329-L339 HydrophobicContact CG-CD2 3.86Å
330	H	94.6	Very high	93.4	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.009	10%	0.104	C	C	.	.	H	α-helix	trans	-58.2	-43.6	174.9	-60.5	163.6	0	0	0	111.2	Y258 K326 A334 S538 R539 P543	Y258-H330 PolarHBondContact OH-CD2 3.27Å; Y258-H330 PolarHBondContact OH-NE2 3.02Å; K326-H330 PolarHBondContact O-CD2 2.94Å; K326-H330 PolarHBondContact O-N 2.82Å; K326-H330 PolarHBondContact O-ND1 2.84Å; H330-A334 PolarHBondContact O-N 3.37Å; H330-A334 VanDerWaalsContact O-N 3.11Å; H330-S538 PolarHBondContact ND1-OG 3.31Å; H330-R539 VanDerWaalsContact ND1-C 3.33Å; H330-R539 PolarHBondContact ND1-O 2.98Å; H330-P543 HydrophobicContact CB-CB 4.16Å
331	S	95.4	Very high	93.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.5	-39.1	179.3	-60.2	0	0	0	0	111.9	A327 L328 E329 A334 I335 F548	A327-S331 WeakPolarHBondContact O-CB 3.42Å; A327-S331 PolarHBondContact O-N 3.46Å; A327-S331 PolarHBondContact O-OG 3.48Å; L328-S331 WeakPolarHBondContact O-CB 3.46Å; L328-S331 PolarHBondContact O-N 2.86Å; E329-S331 VanDerWaalsContact C-N 3.27Å; E329-S331 PolarHBondContact O-N 2.88Å; S331-A334 PolarHBondContact O-N 3Å; S331-I335 PolarHBondContact O-N 3.23Å; S331-F548 PolarHBondContact OG-N 3.02Å
332	A	94.4	Very high	94.2	Very high	2 Å²	2	23.4 Å²	23.4	2%	0.017	11%	0.114	C	C	.	.	H	α-helix	trans	-66.2	-42.7	177.8	0	0	0	0	0	111.8	L328 E329 A334 I335 N336 H337 L339 L551	L328-A332 WeakPolarHBondContact O-CB 3.48Å; L328-A332 PolarHBondContact O-N 2.75Å; E329-A332 PolarHBondContact O-N 2.8Å; A332-A334 VanDerWaalsContact C-N 3.32Å; A332-A334 PolarHBondContact O-N 3.11Å; A332-I335 CarbonylContact O-C 3.56Å; A332-I335 VanDerWaalsContact O-CG1 3.28Å; A332-I335 WeakPolarHBondContact O-CG1 3.28Å; A332-I335 PolarHBondContact O-N 2.98Å; A332-N336 PolarHBondContact O-N 2.83Å; A332-N336 VanDerWaalsContact O-N 3.07Å; A332-H337 CarbonylContact C-O 3.45Å; A332-H337 WeakPolarHBondContact CB-O 3.49Å; A332-H337 PolarHBondContact O-N 3.13Å; A332-L339 HydrophobicContact CB-CB 3.87Å; A332-L551 VanDerWaalsContact CA-CD2 3.45Å; A332-L551 HydrophobicContact CB-CD2 3.64Å
333	L	91.3	Very high	94.4	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-61	-42	174.6	-176.8	71.7	0	0	0	111.5	M295 R298 E329 I335 N336	M295-L333 HydrophobicContact CB-CD2 4.13Å; M295-L333 HydrophobicContact CG-CD2 3.43Å; M295-L333 VanDerWaalsContact CG-CD2 3.43Å; M295-L333 HydrophobicContact SD-CD2 3.66Å; R298-L333 HydrophobicContact CB-CD1 3.78Å; E329-L333 WeakPolarHBondContact O-CB 3.29Å; E329-L333 PolarHBondContact O-N 2.84Å; L333-I335 PolarHBondContact O-N 3.48Å; L333-N336 PolarHBondContact O-N 3.19Å; L333-N336 VanDerWaalsContact O-N 3.09Å
334	A	90.5	Very high	94.5	Very high	5 Å²	5	26.3 Å²	26.3	4%	0.041	12%	0.122	C	C	.	.	H	α-helix	trans	-63.8	-26.6	178.6	0	0	0	0	0	113.4	H330 S331 A332 P543 F548 L568	H330-A334 PolarHBondContact O-N 3.37Å; H330-A334 VanDerWaalsContact O-N 3.11Å; S331-A334 PolarHBondContact O-N 3Å; A332-A334 VanDerWaalsContact C-N 3.32Å; A332-A334 PolarHBondContact O-N 3.11Å; A334-P543 HydrophobicContact CB-CG 4.02Å; A334-F548 HydrophobicContact CB-CD2 4.27Å; A334-F548 HydrophobicContact CB-CE2 3.87Å; A334-L568 HydrophobicContact CB-CD1 4.41Å
335	I	90.9	Very high	94.5	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.015	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	7.5	175	66.5	166.4	0	0	0	113.5	S331 A332 L333 H337 F548 L551 L552 V555	S331-I335 PolarHBondContact O-N 3.23Å; A332-I335 CarbonylContact O-C 3.56Å; A332-I335 VanDerWaalsContact O-CG1 3.28Å; A332-I335 WeakPolarHBondContact O-CG1 3.28Å; A332-I335 PolarHBondContact O-N 2.98Å; L333-I335 PolarHBondContact O-N 3.48Å; I335-H337 HydrophobicContact CD1-CB 4.11Å; I335-H337 HydrophobicContact CG1-CB 4.05Å; I335-H337 PolarHBondContact O-CE1 3.41Å; I335-H337 PolarHBondContact O-N 3.37Å; I335-H337 PolarHBondContact O-ND1 3.11Å; I335-F548 HydrophobicContact CG2-CD2 4.34Å; I335-F548 HydrophobicContact CG2-CE2 3.61Å; I335-F548 HydrophobicContact CG2-CZ 4.34Å; I335-L551 HydrophobicContact CD1-CB 4.01Å; I335-L551 HydrophobicContact CD1-CD2 4.38Å; I335-L552 HydrophobicContact CG2-CD2 3.8Å; I335-L552 HydrophobicContact CG2-CG 4.3Å; I335-V555 HydrophobicContact CD1-CG1 4.11Å; I335-V555 HydrophobicContact CD1-CG2 4.08Å
336	N	90.4	Very high	94.5	Very high	43 Å²	43	26.4 Å²	26.4	23%	0.23	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	40.2	-177.6	-66.2	-51.3	0	0	0	114.5	L302 A332 L333 D572	L302-N336 VanDerWaalsContact CD2-C 3.45Å; A332-N336 PolarHBondContact O-N 2.83Å; A332-N336 VanDerWaalsContact O-N 3.07Å; L333-N336 PolarHBondContact O-N 3.19Å; L333-N336 VanDerWaalsContact O-N 3.09Å; N336-D572 PolarHBondContact ND2-OD1 3.22Å
337	H	92.9	Very high	94.6	Very high	9 Å²	9	27.3 Å²	27.3	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.6	175	-72.2	57.5	0	0	0	112.2	E304 C306 A332 I335	E304-H337 CarbonylContact O-C 3.6Å; E304-H337 VanDerWaalsContact O-CA 3.25Å; E304-H337 WeakPolarHBondContact O-CA 3.2Å; E304-H337 IonicContact OE2-CE1 3.54Å; E304-H337 PolarHBondContact OE2-CE1 2.91Å; E304-H337 IonicContact OE2-NE2 2.7Å; E304-H337 PolarHBondContact OE2-NE2 3.17Å; C306-H337 HydrophobicContact CB-CB 4.06Å; A332-H337 CarbonylContact C-O 3.45Å; A332-H337 WeakPolarHBondContact CB-O 3.49Å; A332-H337 PolarHBondContact O-N 3.13Å; I335-H337 HydrophobicContact CD1-CB 4.11Å; I335-H337 HydrophobicContact CG1-CB 4.05Å; I335-H337 PolarHBondContact O-CE1 3.41Å; I335-H337 PolarHBondContact O-N 3.37Å; I335-H337 PolarHBondContact O-ND1 3.11Å
338	K	94.4	Very high	94.6	Very high	125 Å²	125	28.3 Å²	28.3	54%	0.543	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	122.6	164.8	-174.5	175.3	-179.3	177.4	0	108.9	L302 E304 T305 C306	L302-K338 HydrophobicContact CB-CB 4Å; E304-K338 PolarHBondContact O-N 3.32Å; T305-K338 CarbonylContact C-O 3.55Å; T305-K338 WeakPolarHBondContact CA-O 3.42Å; C306-K338 PolarHBondContact N-O 3.15Å
339	L	95.4	Very high	94.5	Very high	31 Å²	31	28.3 Å²	28.3	16%	0.162	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.3	175.2	-177.2	67.8	0	0	0	110.2	I308 L328 E329 A332 I341	I308-L339 HydrophobicContact CG1-CD1 4Å; L328-L339 HydrophobicContact CB-CD1 4.25Å; L328-L339 HydrophobicContact CB-CD2 3.47Å; L328-L339 VanDerWaalsContact CB-CD2 3.47Å; E329-L339 HydrophobicContact CG-CD2 3.86Å; A332-L339 HydrophobicContact CB-CB 3.87Å; L339-I341 HydrophobicContact CD1-CG1 4.4Å; L339-I341 HydrophobicContact CD2-CD1 3.72Å; L339-I341 HydrophobicContact CD2-CG1 3.71Å; L339-I341 HydrophobicContact CG-CD1 4.37Å; L339-I341 HydrophobicContact CG-CG1 3.79Å
340	E	96.2	Very high	94.6	Very high	86 Å²	86	27.9 Å²	27.9	40%	0.402	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	110.2	167.9	-176.3	-165.1	170.7	0	0	108.9	T305 C306 S307 I308 K342	T305-E340 HydrophobicContact CG2-CB 3.65Å; C306-E340 PolarHBondContact O-N 3.01Å; S307-E340 CarbonylContact C-O 3.36Å; S307-E340 VanDerWaalsContact CA-O 3.24Å; S307-E340 WeakPolarHBondContact CA-O 3.43Å; S307-E340 WeakPolarHBondContact CB-OE2 3.39Å; I308-E340 PolarHBondContact N-O 2.81Å; E340-K342 WeakPolarHBondContact OE1-CE 3.42Å
341	I	96.1	Very high	94.5	Very high	29 Å²	29	31.2 Å²	31.2	15%	0.149	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.6	177.9	-55	-176.2	0	0	0	109.2	L310 I325 L328 L339 Y343	L310-I341 HydrophobicContact CB-CG2 3.95Å; L310-I341 HydrophobicContact CD1-CG2 4.36Å; I325-I341 HydrophobicContact CB-CD1 4.02Å; I325-I341 HydrophobicContact CG1-CD1 3.64Å; I325-I341 HydrophobicContact CG2-CD1 3.69Å; L328-I341 HydrophobicContact CD1-CD1 4.27Å; L339-I341 HydrophobicContact CD1-CG1 4.4Å; L339-I341 HydrophobicContact CD2-CD1 3.72Å; L339-I341 HydrophobicContact CD2-CG1 3.71Å; L339-I341 HydrophobicContact CG-CD1 4.37Å; L339-I341 HydrophobicContact CG-CG1 3.79Å; I341-Y343 HydrophobicContact CB-CE2 4Å; I341-Y343 HydrophobicContact CG2-CD1 4.13Å; I341-Y343 HydrophobicContact CG2-CD2 4.12Å; I341-Y343 HydrophobicContact CG2-CE1 3.83Å; I341-Y343 HydrophobicContact CG2-CE2 3.81Å; I341-Y343 HydrophobicContact CG2-CG 4.27Å
342	K	96.1	Very high	94.5	Very high	31 Å²	31	35.7 Å²	35.7	14%	0.135	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	96.8	172.6	-65.4	179.4	179	176.1	0	108.3	I308 A309 L310 E340 I344 K367 S370 A371	I308-K342 PolarHBondContact O-N 2.84Å; A309-K342 WeakPolarHBondContact CA-O 3.25Å; L310-K342 PolarHBondContact N-O 2.98Å; E340-K342 WeakPolarHBondContact OE1-CE 3.42Å; K342-I344 PolarHBondContact O-N 3.49Å; K342-K367 HydrophobicContact CB-CB 4.37Å; K342-K367 HydrophobicContact CD-CB 4.45Å; K342-K367 WeakPolarHBondContact CD-O 3.41Å; K342-S370 PolarHBondContact NZ-O 2.75Å; K342-S370 PolarHBondContact NZ-OG 2.85Å; K342-A371 HydrophobicContact CD-CB 4.49Å
343	Y	95.9	Very high	94.5	Very high	77 Å²	77	36.3 Å²	36.3	30%	0.302	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	127	176	-60.6	-87.1	0	0	0	110.2	I325 I341	I325-Y343 HydrophobicContact CD1-CE1 4.18Å; I325-Y343 WeakPolarHBondContact CD1-OH 3.34Å; I341-Y343 HydrophobicContact CB-CE2 4Å; I341-Y343 HydrophobicContact CG2-CD1 4.13Å; I341-Y343 HydrophobicContact CG2-CD2 4.12Å; I341-Y343 HydrophobicContact CG2-CE1 3.83Å; I341-Y343 HydrophobicContact CG2-CE2 3.81Å; I341-Y343 HydrophobicContact CG2-CG 4.27Å
344	I	96.4	Very high	94.6	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.1	178.8	-59.1	176.5	0	0	0	107.8	A309 L310 V311 G312 T315 K342 S346 L349 A364 K367 L368	A309-I344 HydrophobicContact CB-CD1 3.87Å; L310-I344 PolarHBondContact O-N 2.88Å; V311-I344 HydrophobicContact CG2-CB 4.34Å; V311-I344 HydrophobicContact CG2-CD1 4.42Å; G312-I344 PolarHBondContact N-O 2.88Å; T315-I344 WeakPolarHBondContact CG2-O 3.29Å; K342-I344 PolarHBondContact O-N 3.49Å; I344-S346 PolarHBondContact O-N 2.94Å; I344-L349 HydrophobicContact CG2-CD1 3.87Å; I344-L349 HydrophobicContact CG2-CD2 4.08Å; I344-L349 HydrophobicContact CG2-CG 3.87Å; I344-A364 HydrophobicContact CG2-CB 3.94Å; I344-K367 HydrophobicContact CD1-CB 3.87Å; I344-K367 HydrophobicContact CG1-CB 4.01Å; I344-L368 HydrophobicContact CD1-CB 3.75Å; I344-L368 HydrophobicContact CD1-CD1 4.22Å
345	D	95.3	Very high	94.8	Very high	17 Å²	17	45.7 Å²	45.7	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	121.6	169.9	-168.6	-23.1	0	0	0	107.6	G312 M347 D348	G312-D345 WeakPolarHBondContact O-CA 3.42Å; D345-M347 PolarHBondContact O-N 2.94Å; D345-M347 VanDerWaalsContact O-N 3.16Å; D345-M347 PolarHBondContact OD1-N 3.15Å; D345-D348 WeakPolarHBondContact O-CB 3.36Å; D345-D348 PolarHBondContact O-N 2.83Å
346	S	95.6	Very high	95	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-54	-32.1	178.1	51.1	0	0	0	0	113.3	G312 I344 D348 L349 G384 G387	G312-S346 PolarHBondContact O-N 3.49Å; G312-S346 PolarHBondContact O-OG 3.46Å; I344-S346 PolarHBondContact O-N 2.94Å; S346-D348 VanDerWaalsContact C-N 3.26Å; S346-D348 PolarHBondContact O-N 3.29Å; S346-L349 PolarHBondContact O-N 3.08Å; S346-G384 VanDerWaalsContact CB-O 3.27Å; S346-G384 WeakPolarHBondContact CB-O 3.44Å; S346-G384 WeakPolarHBondContact OG-CA 3.46Å; S346-G384 PolarHBondContact OG-O 3.14Å; S346-G387 WeakPolarHBondContact O-CA 3.28Å
347	M	95.4	Very high	95.3	Very high	66 Å²	66	53.7 Å²	53.7	33%	0.325	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-64.2	-33.1	176.2	-71.3	-180	54.8	0	0	112.1	D345 L349 E350 T353 R383	D345-M347 PolarHBondContact O-N 2.94Å; D345-M347 VanDerWaalsContact O-N 3.16Å; D345-M347 PolarHBondContact OD1-N 3.15Å; M347-L349 PolarHBondContact O-N 3.43Å; M347-L349 VanDerWaalsContact O-N 3.1Å; M347-E350 WeakPolarHBondContact O-CB 3.35Å; M347-E350 PolarHBondContact O-N 3.17Å; M347-T353 PolarHBondContact O-OG1 3.4Å; M347-R383 HydrophobicContact CG-CG 4.23Å; M347-R383 HydrophobicContact SD-CG 3.64Å; M347-R383 PolarHBondContact SD-NH1 2.82Å; M347-R383 VanDerWaalsContact SD-NH1 3.41Å
348	D	96.6	Very high	95.4	Very high	22 Å²	22	56.1 Å²	56.1	12%	0.118	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-69.3	-10	-179.4	-65.3	-19.6	0	0	0	112.5	D345 S346 R360 Y361 A364	D345-D348 WeakPolarHBondContact O-CB 3.36Å; D345-D348 PolarHBondContact O-N 2.83Å; S346-D348 VanDerWaalsContact C-N 3.26Å; S346-D348 PolarHBondContact O-N 3.29Å; D348-R360 VanDerWaalsContact CG-NH2 3.31Å; D348-R360 IonicContact OD1-CZ 2.92Å; D348-R360 IonicContact OD1-NE 2.77Å; D348-R360 PolarHBondContact OD1-NE 3.31Å; D348-R360 IonicContact OD1-NH2 3.81Å; D348-R360 PolarHBondContact OD1-NH2 3.5Å; D348-R360 IonicContact OD2-CZ 3.58Å; D348-R360 IonicContact OD2-NE 3.78Å; D348-R360 PolarHBondContact OD2-NE 3.39Å; D348-R360 IonicContact OD2-NH2 3.32Å; D348-R360 PolarHBondContact OD2-NH2 2.95Å; D348-R360 VanDerWaalsContact OD2-NH2 3.12Å; D348-Y361 VanDerWaalsContact O-CA 3.31Å; D348-Y361 WeakPolarHBondContact O-CA 3.45Å; D348-Y361 WeakPolarHBondContact O-CD2 3.38Å; D348-A364 HydrophobicContact CB-CB 3.69Å
349	L	96.9	Very high	95.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-94.5	-2.1	173.6	-59.9	178.3	0	0	0	113	V311 I344 S346 M347 A364 W365 L368 A391	V311-L349 HydrophobicContact CG1-CD1 3.82Å; V311-L349 HydrophobicContact CG2-CD1 4.47Å; I344-L349 HydrophobicContact CG2-CD1 3.87Å; I344-L349 HydrophobicContact CG2-CD2 4.08Å; I344-L349 HydrophobicContact CG2-CG 3.87Å; S346-L349 PolarHBondContact O-N 3.08Å; M347-L349 PolarHBondContact O-N 3.43Å; M347-L349 VanDerWaalsContact O-N 3.1Å; L349-A364 HydrophobicContact CD2-CB 3.73Å; L349-A364 HydrophobicContact CG-CB 4.46Å; L349-W365 HydrophobicContact CD2-CD2 3.99Å; L349-W365 HydrophobicContact CD2-CG 3.96Å; L349-W365 HydrophobicContact CD2-CZ2 4.47Å; L349-L368 HydrophobicContact CD1-CD2 4.36Å; L349-A391 HydrophobicContact CD1-CB 3.91Å
350	E	95.9	Very high	95.5	Very high	30 Å²	30	58.9 Å²	58.9	14%	0.14	30%	0.298	C	S	.	.	S	Bend	trans	-81.3	149.3	-176.9	-67.2	-177	178.6	0	0	112.5	M347 I352 T353 S354 Y361 G384 E386	M347-E350 WeakPolarHBondContact O-CB 3.35Å; M347-E350 PolarHBondContact O-N 3.17Å; E350-I352 PolarHBondContact O-N 2.86Å; E350-T353 PolarHBondContact O-N 3.19Å; E350-T353 VanDerWaalsContact O-N 3.13Å; E350-S354 PolarHBondContact O-N 3.18Å; E350-Y361 WeakPolarHBondContact O-CD2 3.32Å; E350-Y361 WeakPolarHBondContact O-CE2 2.99Å; E350-G384 VanDerWaalsContact OE1-CA 3.24Å; E350-G384 WeakPolarHBondContact OE1-CA 2.94Å; E350-E386 HydrophobicContact CG-CB 4.45Å
351	P	92.8	Very high	95.6	Very high	72 Å²	72	57 Å²	57	47%	0.468	29%	0.288	S	S	.	.	H	α-helix	trans	-58.5	-29.9	177.5	-25.5	34.7	0	0	0	114.1	S354 Q355	P351-S354 WeakPolarHBondContact O-CB 3.49Å; P351-S354 PolarHBondContact O-N 3.29Å; P351-Q355 PolarHBondContact O-N 3.39Å
352	I	94.8	Very high	95.6	Very high	95 Å²	95	61.1 Å²	61.1	49%	0.487	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-46	177.5	-62.6	170.9	0	0	0	109.7	E350 S354 Q355 E356	E350-I352 PolarHBondContact O-N 2.86Å; I352-S354 VanDerWaalsContact C-N 3.3Å; I352-S354 PolarHBondContact O-N 3.49Å; I352-Q355 WeakPolarHBondContact O-CB 3.4Å; I352-Q355 PolarHBondContact O-N 3.36Å; I352-E356 HydrophobicContact CG2-CG 4.19Å; I352-E356 PolarHBondContact O-N 3.16Å
353	T	94.2	Very high	95.7	Very high	14 Å²	14	64.1 Å²	64.1	9%	0.086	32%	0.32	C	S	.	.	H	α-helix	trans	-66.2	-32.1	178.1	-52.3	0	0	0	0	112.3	M347 E350 Q355 E356 D357 R360	M347-T353 PolarHBondContact O-OG1 3.4Å; E350-T353 PolarHBondContact O-N 3.19Å; E350-T353 VanDerWaalsContact O-N 3.13Å; T353-Q355 PolarHBondContact O-N 3.05Å; T353-E356 PolarHBondContact O-N 2.91Å; T353-D357 HydrophobicContact CG2-CB 4.33Å; T353-D357 CarbonylContact O-C 3.02Å; T353-D357 WeakPolarHBondContact O-CA 3.42Å; T353-D357 PolarHBondContact O-N 3.27Å; T353-R360 HydrophobicContact CG2-CB 4.35Å
354	S	93.8	Very high	95.7	Very high	44 Å²	44	60.7 Å²	60.7	31%	0.308	31%	0.308	S	S	.	.	H	α-helix	trans	-59.8	-28.3	171.9	-176.1	0	0	0	0	113.1	E350 P351 I352	E350-S354 PolarHBondContact O-N 3.18Å; P351-S354 WeakPolarHBondContact O-CB 3.49Å; P351-S354 PolarHBondContact O-N 3.29Å; I352-S354 VanDerWaalsContact C-N 3.3Å; I352-S354 PolarHBondContact O-N 3.49Å
355	Q	93.8	Very high	95.8	Very high	162 Å²	162	62.5 Å²	62.5	76%	0.757	32%	0.315	S	S	*	.	H	α-helix	trans	-89.2	-41.2	179.3	-62.7	176.4	23.8	0	0	111.8	P351 I352 T353	P351-Q355 PolarHBondContact O-N 3.39Å; I352-Q355 WeakPolarHBondContact O-CB 3.4Å; I352-Q355 PolarHBondContact O-N 3.36Å; T353-Q355 PolarHBondContact O-N 3.05Å
356	E	96.1	Very high	95.9	Very high	156 Å²	156	68.2 Å²	68.2	73%	0.729	34%	0.341	S	S	*	.	H	α-helix	trans	-83	-41.2	-175.6	-66.3	-178.5	171.1	0	0	113.3	I352 T353	I352-E356 HydrophobicContact CG2-CG 4.19Å; I352-E356 PolarHBondContact O-N 3.16Å; T353-E356 PolarHBondContact O-N 2.91Å
357	D	96.1	Very high	96	Very high	58 Å²	58	71.5 Å²	71.5	31%	0.31	36%	0.355	S	S	.	.			trans	-145.4	79.5	-177.4	-168.7	-20.7	0	0	0	111	T353 V359 R360 Y361	T353-D357 HydrophobicContact CG2-CB 4.33Å; T353-D357 CarbonylContact O-C 3.02Å; T353-D357 WeakPolarHBondContact O-CA 3.42Å; T353-D357 PolarHBondContact O-N 3.27Å; D357-V359 PolarHBondContact O-N 2.75Å; D357-V359 PolarHBondContact OD1-N 3.15Å; D357-R360 HydrophobicContact CB-CB 4.45Å; D357-R360 PolarHBondContact O-N 3.08Å; D357-R360 PolarHBondContact OD1-N 3.23Å; D357-R360 WeakPolarHBondContact OD2-CD 3.44Å; D357-R360 WeakPolarHBondContact OD2-CG 3.39Å; D357-Y361 PolarHBondContact O-N 3.43Å
358	P	95.6	Very high	96.2	Very high	60 Å²	60	68.3 Å²	68.3	39%	0.39	34%	0.34	S	S	.	.	H	α-helix	trans	-63.7	-23.8	-176.4	24.9	-34.3	0	0	0	113	H362	P358-H362 WeakPolarHBondContact O-CB 3.39Å; P358-H362 PolarHBondContact O-CD2 2.94Å; P358-H362 PolarHBondContact O-N 2.83Å
359	V	96.7	Very high	96.2	Very high	105 Å²	105	70.2 Å²	70.2	64%	0.636	35%	0.354	S	S	*	.	H	α-helix	trans	-66.2	-51.9	179.5	178.3	0	0	0	0	109.7	D357 Y361 H362 E363	D357-V359 PolarHBondContact O-N 2.75Å; D357-V359 PolarHBondContact OD1-N 3.15Å; V359-Y361 VanDerWaalsContact C-N 3.3Å; V359-Y361 PolarHBondContact O-N 2.86Å; V359-H362 PolarHBondContact O-N 2.82Å; V359-E363 WeakPolarHBondContact O-CB 3.11Å; V359-E363 PolarHBondContact O-N 2.59Å
360	R	95.3	Very high	96.2	Very high	110 Å²	110	73 Å²	73	42%	0.415	37%	0.374	S	S	.	.	H	α-helix	trans	-60.4	-42.2	176.9	-72.9	-177.8	65.1	-173.1	-4.4	111.9	D348 T353 D357 E363 A364	D348-R360 VanDerWaalsContact CG-NH2 3.31Å; D348-R360 IonicContact OD1-CZ 2.92Å; D348-R360 IonicContact OD1-NE 2.77Å; D348-R360 PolarHBondContact OD1-NE 3.31Å; D348-R360 IonicContact OD1-NH2 3.81Å; D348-R360 PolarHBondContact OD1-NH2 3.5Å; D348-R360 IonicContact OD2-CZ 3.58Å; D348-R360 IonicContact OD2-NE 3.78Å; D348-R360 PolarHBondContact OD2-NE 3.39Å; D348-R360 IonicContact OD2-NH2 3.32Å; D348-R360 PolarHBondContact OD2-NH2 2.95Å; D348-R360 VanDerWaalsContact OD2-NH2 3.12Å; T353-R360 HydrophobicContact CG2-CB 4.35Å; D357-R360 HydrophobicContact CB-CB 4.45Å; D357-R360 PolarHBondContact O-N 3.08Å; D357-R360 PolarHBondContact OD1-N 3.23Å; D357-R360 WeakPolarHBondContact OD2-CD 3.44Å; D357-R360 WeakPolarHBondContact OD2-CG 3.39Å; R360-E363 PolarHBondContact O-N 3.17Å; R360-A364 WeakPolarHBondContact O-CB 3.3Å; R360-A364 PolarHBondContact O-N 2.72Å
361	Y	97.6	Very high	96.3	Very high	47 Å²	47	71.7 Å²	71.7	18%	0.184	37%	0.367	C	S	.	.	H	α-helix	trans	-58.7	-53	178.2	-179.4	-93.6	0	0	0	112	D348 E350 D357 V359 E363 A364 W365	D348-Y361 VanDerWaalsContact O-CA 3.31Å; D348-Y361 WeakPolarHBondContact O-CA 3.45Å; D348-Y361 WeakPolarHBondContact O-CD2 3.38Å; E350-Y361 WeakPolarHBondContact O-CD2 3.32Å; E350-Y361 WeakPolarHBondContact O-CE2 2.99Å; D357-Y361 PolarHBondContact O-N 3.43Å; V359-Y361 VanDerWaalsContact C-N 3.3Å; V359-Y361 PolarHBondContact O-N 2.86Å; Y361-E363 PolarHBondContact O-N 2.92Å; Y361-A364 PolarHBondContact O-N 2.56Å; Y361-W365 AromaticContact CD1-CD1 3.79Å; Y361-W365 AromaticContact CD2-NE1 3.93Å; Y361-W365 AromaticContact CE1-CD1 3.46Å; Y361-W365 VanDerWaalsContact CE1-CD1 3.46Å; Y361-W365 HydrophobicContact CE1-CG 4.45Å; Y361-W365 AromaticContact CE1-NE1 3.63Å; Y361-W365 AromaticContact CE2-CD1 3.71Å; Y361-W365 AromaticContact CE2-NE1 3.23Å; Y361-W365 AromaticContact CZ-CD1 3.43Å; Y361-W365 VanDerWaalsContact CZ-CD1 3.43Å; Y361-W365 AromaticContact CZ-NE1 3.06Å; Y361-W365 VanDerWaalsContact O-CD1 3.26Å; Y361-W365 PolarHBondContact O-N 3.33Å; Y361-W365 PolarHBondContact OH-NE1 2.84Å
362	H	97.1	Very high	96.6	Very high	115 Å²	115	72.2 Å²	72.2	53%	0.532	36%	0.364	S	S	.	.	H	α-helix	trans	-67.7	-34	-178.6	-70.9	-54.9	0	0	0	112.9	P358 V359 W365 Q366	P358-H362 WeakPolarHBondContact O-CB 3.39Å; P358-H362 PolarHBondContact O-CD2 2.94Å; P358-H362 PolarHBondContact O-N 2.83Å; V359-H362 PolarHBondContact O-N 2.82Å; H362-W365 PolarHBondContact O-N 3.01Å; H362-Q366 WeakPolarHBondContact O-CB 3.25Å; H362-Q366 PolarHBondContact O-N 2.74Å
363	E	97.1	Very high	96.8	Very high	93 Å²	93	67.7 Å²	67.7	44%	0.435	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-43.4	174.6	-167.2	-168.1	154.7	0	0	111.7	V359 R360 Y361 Q366 K367	V359-E363 WeakPolarHBondContact O-CB 3.11Å; V359-E363 PolarHBondContact O-N 2.59Å; R360-E363 PolarHBondContact O-N 3.17Å; Y361-E363 PolarHBondContact O-N 2.92Å; E363-Q366 PolarHBondContact O-N 3.01Å; E363-K367 WeakPolarHBondContact O-CG 3.45Å; E363-K367 PolarHBondContact O-N 3.35Å; E363-K367 WeakPolarHBondContact OE1-CE 3.39Å; E363-K367 IonicContact OE1-NZ 3.26Å; E363-K367 PolarHBondContact OE1-NZ 2.93Å
364	A	97.2	Very high	97	Very high	5 Å²	5	67.1 Å²	67.1	4%	0.041	34%	0.337	C	S	.	.	H	α-helix	trans	-60.6	-47.3	176	0	0	0	0	0	111.6	I344 D348 L349 R360 Y361 Q366 K367 L368	I344-A364 HydrophobicContact CG2-CB 3.94Å; D348-A364 HydrophobicContact CB-CB 3.69Å; L349-A364 HydrophobicContact CD2-CB 3.73Å; L349-A364 HydrophobicContact CG-CB 4.46Å; R360-A364 WeakPolarHBondContact O-CB 3.3Å; R360-A364 PolarHBondContact O-N 2.72Å; Y361-A364 PolarHBondContact O-N 2.56Å; A364-Q366 PolarHBondContact O-N 2.85Å; A364-K367 PolarHBondContact O-N 2.87Å; A364-L368 PolarHBondContact O-N 2.85Å
365	W	98.1	Very high	97.2	Very high	41 Å²	41	65 Å²	65	16%	0.155	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-37.2	176	-82.5	99.2	0	0	0	113.1	L349 Y361 H362 K367 L368 C369 Q390 W394	L349-W365 HydrophobicContact CD2-CD2 3.99Å; L349-W365 HydrophobicContact CD2-CG 3.96Å; L349-W365 HydrophobicContact CD2-CZ2 4.47Å; Y361-W365 AromaticContact CD1-CD1 3.79Å; Y361-W365 AromaticContact CD2-NE1 3.93Å; Y361-W365 AromaticContact CE1-CD1 3.46Å; Y361-W365 VanDerWaalsContact CE1-CD1 3.46Å; Y361-W365 HydrophobicContact CE1-CG 4.45Å; Y361-W365 AromaticContact CE1-NE1 3.63Å; Y361-W365 AromaticContact CE2-CD1 3.71Å; Y361-W365 AromaticContact CE2-NE1 3.23Å; Y361-W365 AromaticContact CZ-CD1 3.43Å; Y361-W365 VanDerWaalsContact CZ-CD1 3.43Å; Y361-W365 AromaticContact CZ-NE1 3.06Å; Y361-W365 VanDerWaalsContact O-CD1 3.26Å; Y361-W365 PolarHBondContact O-N 3.33Å; Y361-W365 PolarHBondContact OH-NE1 2.84Å; H362-W365 PolarHBondContact O-N 3.01Å; W365-K367 VanDerWaalsContact C-N 3.34Å; W365-K367 PolarHBondContact O-N 2.92Å; W365-L368 HydrophobicContact CE3-CD2 3.91Å; W365-L368 HydrophobicContact CH2-CD2 4.42Å; W365-L368 HydrophobicContact CZ3-CD2 3.77Å; W365-L368 PolarHBondContact O-N 2.81Å; W365-C369 WeakPolarHBondContact O-CB 3.32Å; W365-C369 PolarHBondContact O-N 3.35Å; W365-C369 PolarHBondContact O-SG 3.15Å; W365-Q390 HydrophobicContact CH2-CB 4.21Å; W365-Q390 HydrophobicContact CZ2-CB 4.07Å; W365-W394 HydrophobicContact CH2-CB 4.3Å; W365-W394 HydrophobicContact CZ3-CB 3.97Å; W365-W394 AromaticContact CZ3-CD1 3.71Å; W365-W394 AromaticContact CZ3-CG 3.85Å; W365-W394 HydrophobicContact CZ3-CG 3.85Å
366	Q	97.9	Very high	97.4	Very high	137 Å²	137	57.3 Å²	57.3	64%	0.64	29%	0.286	S	S	*	.	H	α-helix	trans	-62.4	-42.2	175.3	-175.6	-177.7	0	0	0	111.6	H362 E363 A364 S370	H362-Q366 WeakPolarHBondContact O-CB 3.25Å; H362-Q366 PolarHBondContact O-N 2.74Å; E363-Q366 PolarHBondContact O-N 3.01Å; A364-Q366 PolarHBondContact O-N 2.85Å; Q366-S370 WeakPolarHBondContact O-CB 3.3Å; Q366-S370 PolarHBondContact O-N 3.36Å; Q366-S370 VanDerWaalsContact O-N 3.1Å; Q366-S370 PolarHBondContact O-OG 3.46Å
367	K	97.9	Very high	97.4	Very high	69 Å²	69	49.9 Å²	49.9	30%	0.3	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-45.1	174.2	-73.4	172.2	-173.5	165.3	0	111.4	K342 I344 E363 A364 W365 S370 A371	K342-K367 HydrophobicContact CB-CB 4.37Å; K342-K367 HydrophobicContact CD-CB 4.45Å; K342-K367 WeakPolarHBondContact CD-O 3.41Å; I344-K367 HydrophobicContact CD1-CB 3.87Å; I344-K367 HydrophobicContact CG1-CB 4.01Å; E363-K367 WeakPolarHBondContact O-CG 3.45Å; E363-K367 PolarHBondContact O-N 3.35Å; E363-K367 WeakPolarHBondContact OE1-CE 3.39Å; E363-K367 IonicContact OE1-NZ 3.26Å; E363-K367 PolarHBondContact OE1-NZ 2.93Å; A364-K367 PolarHBondContact O-N 2.87Å; W365-K367 VanDerWaalsContact C-N 3.34Å; W365-K367 PolarHBondContact O-N 2.92Å; K367-S370 PolarHBondContact O-N 3.46Å; K367-S370 PolarHBondContact O-OG 2.92Å; K367-S370 VanDerWaalsContact O-OG 3.12Å; K367-A371 PolarHBondContact O-N 3.39Å
368	L	98.1	Very high	97.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-50	178.4	-173.8	63.2	0	0	0	111.6	A309 V311 I344 L349 A364 W365 S370 A371 V374 A391 W394	A309-L368 HydrophobicContact CB-CD1 3.83Å; V311-L368 HydrophobicContact CG2-CD1 4.17Å; I344-L368 HydrophobicContact CD1-CB 3.75Å; I344-L368 HydrophobicContact CD1-CD1 4.22Å; L349-L368 HydrophobicContact CD1-CD2 4.36Å; A364-L368 PolarHBondContact O-N 2.85Å; W365-L368 HydrophobicContact CE3-CD2 3.91Å; W365-L368 HydrophobicContact CH2-CD2 4.42Å; W365-L368 HydrophobicContact CZ3-CD2 3.77Å; W365-L368 PolarHBondContact O-N 2.81Å; L368-S370 VanDerWaalsContact C-N 3.28Å; L368-S370 PolarHBondContact O-N 3.31Å; L368-A371 WeakPolarHBondContact O-CB 3.35Å; L368-A371 PolarHBondContact O-N 3.13Å; L368-A371 VanDerWaalsContact O-N 3.15Å; L368-V374 HydrophobicContact CD1-CG1 4.09Å; L368-V374 HydrophobicContact CD1-CG2 3.76Å; L368-A391 HydrophobicContact CD1-CB 4.47Å; L368-A391 HydrophobicContact CD2-CB 4.03Å; L368-W394 HydrophobicContact CD1-CE3 4.33Å; L368-W394 HydrophobicContact CD1-CZ3 4.38Å; L368-W394 HydrophobicContact CD2-CD2 4.29Å; L368-W394 HydrophobicContact CD2-CE3 4.12Å; L368-W394 HydrophobicContact CD2-CG 4.48Å; L368-W394 HydrophobicContact CG-CD2 4.36Å; L368-W394 HydrophobicContact CG-CE3 3.88Å; L368-W394 HydrophobicContact CG-CZ3 4.04Å; L368-W394 WeakPolarHBondContact O-CH2 3.46Å
369	C	97.7	Very high	96.7	Very high	61 Å²	61	45.4 Å²	45.4	41%	0.412	23%	0.229	S	C	.	.	H	α-helix	trans	-62.1	-35.3	-178.2	-72.6	0	0	0	0	113.4	W365 A371 W394	W365-C369 WeakPolarHBondContact O-CB 3.32Å; W365-C369 PolarHBondContact O-N 3.35Å; W365-C369 PolarHBondContact O-SG 3.15Å; C369-A371 VanDerWaalsContact C-N 3.33Å; C369-W394 HydrophobicContact CB-CZ2 4.09Å
370	S	97.3	Very high	96	Very high	60 Å²	60	44.5 Å²	44.5	42%	0.42	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-0	-179.8	63	0	0	0	0	114.2	K342 Q366 K367 L368	K342-S370 PolarHBondContact NZ-O 2.75Å; K342-S370 PolarHBondContact NZ-OG 2.85Å; Q366-S370 WeakPolarHBondContact O-CB 3.3Å; Q366-S370 PolarHBondContact O-N 3.36Å; Q366-S370 VanDerWaalsContact O-N 3.1Å; Q366-S370 PolarHBondContact O-OG 3.46Å; K367-S370 PolarHBondContact O-N 3.46Å; K367-S370 PolarHBondContact O-OG 2.92Å; K367-S370 VanDerWaalsContact O-OG 3.12Å; L368-S370 VanDerWaalsContact C-N 3.28Å; L368-S370 PolarHBondContact O-N 3.31Å
371	A	97.9	Very high	95.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	21%	0.212	C	C	.	.			trans	-82	151.6	176.2	0	0	0	0	0	112	A309 K342 K367 L368 C369 K400	A309-A371 HydrophobicContact CB-CB 3.59Å; K342-A371 HydrophobicContact CD-CB 4.49Å; K367-A371 PolarHBondContact O-N 3.39Å; L368-A371 WeakPolarHBondContact O-CB 3.35Å; L368-A371 PolarHBondContact O-N 3.13Å; L368-A371 VanDerWaalsContact O-N 3.15Å; C369-A371 VanDerWaalsContact C-N 3.33Å; A371-K400 PolarHBondContact O-NZ 3.26Å
372	H	98.2	Very high	95	Very high	84 Å²	84	43 Å²	43	39%	0.389	23%	0.231	S	C	.	.	S	Bend	trans	-83.9	-27.8	174.8	-60.8	99	0	0	0	112.2	S307 P401	S307-H372 PolarHBondContact N-ND1 3.06Å; S307-H372 WeakPolarHBondContact O-CB 3.3Å; S307-H372 PolarHBondContact O-N 3.3Å; S307-H372 PolarHBondContact OG-CE1 2.83Å; S307-H372 PolarHBondContact OG-ND1 3.12Å; H372-P401 WeakPolarHBondContact O-CD 3.5Å
373	G	98.3	Very high	94.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	161.4	174.6	0	0	0	0	0	112.2	S307 I308 A309 P401	S307-G373 PolarHBondContact O-N 3.3Å; I308-G373 WeakPolarHBondContact CA-O 3.47Å; A309-G373 PolarHBondContact N-O 2.99Å; G373-P401 CarbonylContact C-O 3.56Å; G373-P401 VanDerWaalsContact CA-O 3.29Å; G373-P401 WeakPolarHBondContact CA-O 3.4Å
374	V	98.8	Very high	94.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.9	-178	-176.8	0	0	0	0	109.5	V311 L368 W394 A395 P401 F402 L403	V311-V374 HydrophobicContact CG2-CG1 4.26Å; L368-V374 HydrophobicContact CD1-CG1 4.09Å; L368-V374 HydrophobicContact CD1-CG2 3.76Å; V374-W394 HydrophobicContact CG2-CE3 4.41Å; V374-W394 HydrophobicContact CG2-CZ3 4.08Å; V374-A395 HydrophobicContact CB-CB 4.27Å; V374-A395 HydrophobicContact CG2-CB 4.12Å; V374-P401 PolarHBondContact N-O 2.94Å; V374-F402 HydrophobicContact CB-CD2 4.16Å; V374-F402 HydrophobicContact CG1-CD2 4.1Å; V374-F402 WeakPolarHBondContact O-CA 3.28Å; V374-L403 PolarHBondContact O-N 2.83Å
375	L	98.6	Very high	94.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.1	176.6	175.3	66.1	0	0	0	109.7	I308 A309 L310 V311 V324 L328 L403 V405 Y547 L550	I308-L375 HydrophobicContact CG2-CB 4.12Å; A309-L375 PolarHBondContact O-N 2.73Å; L310-L375 HydrophobicContact CD1-CD2 4.43Å; L310-L375 HydrophobicContact CG-CD2 4.48Å; V311-L375 PolarHBondContact N-O 2.72Å; V324-L375 HydrophobicContact CG1-CD2 3.4Å; V324-L375 VanDerWaalsContact CG1-CD2 3.4Å; L328-L375 HydrophobicContact CD1-CD2 3.88Å; L328-L375 HydrophobicContact CD2-CD2 4.49Å; L328-L375 HydrophobicContact CG-CD2 4.46Å; L375-L403 WeakPolarHBondContact CA-O 2.79Å; L375-L403 HydrophobicContact CD1-CB 3.89Å; L375-L403 HydrophobicContact CD1-CD2 3.95Å; L375-L403 HydrophobicContact CD1-CG 3.91Å; L375-L403 WeakPolarHBondContact CD1-O 3.45Å; L375-V405 HydrophobicContact CD1-CG2 4.15Å; L375-Y547 HydrophobicContact CD1-CE1 4.14Å; L375-Y547 HydrophobicContact CD2-CE1 3.86Å; L375-L550 HydrophobicContact CB-CD2 4.39Å
376	V	98.3	Very high	94	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	105.6	169.8	177.7	0	0	0	0	108	V311 K388 I392 F402 L403 V405	V311-V376 HydrophobicContact CB-CG2 4.22Å; V376-K388 HydrophobicContact CG1-CB 4.3Å; V376-K388 HydrophobicContact CG1-CD 3.88Å; V376-K388 HydrophobicContact CG1-CG 4.09Å; V376-I392 HydrophobicContact CG2-CD1 4.43Å; V376-I392 HydrophobicContact CG2-CG1 4.07Å; V376-F402 HydrophobicContact CB-CE2 4.11Å; V376-F402 HydrophobicContact CB-CZ 4.36Å; V376-F402 HydrophobicContact CG2-CE2 3.76Å; V376-F402 HydrophobicContact CG2-CZ 4.37Å; V376-L403 PolarHBondContact N-O 3.36Å; V376-V405 PolarHBondContact O-N 3Å
377	P	95.6	Very high	94	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	18%	0.179	C	C	.	.			trans	-77.3	176.4	-179.1	33.8	-35.7	0	0	0	111.9	L310 V311 Y321 V324 V405	L310-P377 HydrophobicContact CD2-CG 4.1Å; V311-P377 WeakPolarHBondContact O-CD 3.34Å; Y321-P377 HydrophobicContact CD1-CB 4.06Å; Y321-P377 HydrophobicContact CD1-CG 3.91Å; Y321-P377 HydrophobicContact CE1-CB 3.79Å; Y321-P377 HydrophobicContact CE1-CG 3.34Å; V324-P377 HydrophobicContact CG2-CB 4.44Å; P377-V405 CarbonylContact C-O 3.46Å
378	G	89.3	Confident	94	Very high	14 Å²	14	29.1 Å²	29.1	14%	0.144	17%	0.165	C	C	.	.			trans	-58.3	162.2	172.4	0	0	0	0	0	113.4	V405	G378-V405 WeakPolarHBondContact CA-O 3.34Å; G378-V405 PolarHBondContact N-O 2.97Å; G378-V405 VanDerWaalsContact N-O 3.17Å
379	G	86.9	Confident	94	Very high	9 Å²	9	29.3 Å²	29.3	9%	0.093	17%	0.166	C	C	.	.			trans	-178.9	172.4	176.7	0	0	0	0	0	112	L407	G379-L407 WeakPolarHBondContact O-CD2 3.36Å
380	F	82.6	Confident	94	Very high	86 Å²	86	30.2 Å²	30.2	38%	0.377	16%	0.164	S	C	.	.			trans	-134.1	147	179.6	-65.2	-86	0	0	0	111.3	K313 R486	K313-F380 PolarHBondContact NZ-O 3.28Å; F380-R486 VanDerWaalsContact CE2-NH1 3.28Å
381	G	84.8	Confident	94	Very high	29 Å²	29	27.3 Å²	27.3	30%	0.299	14%	0.144	S	C	.	.	S	Bend	trans	78.5	170.8	175.7	0	0	0	0	0	114.4	R383 E430	G381-R383 PolarHBondContact O-N 2.72Å; G381-E430 PolarHBondContact N-OE1 3.14Å
382	V	87.8	Confident	94.1	Very high	98 Å²	98	27.3 Å²	27.3	59%	0.594	14%	0.144	S	C	*	.	S	Bend	trans	-70.7	-21.1	-169.2	-65.6	0	0	0	0	115.7	G384 T385 F431	V382-G384 PolarHBondContact O-N 3.18Å; V382-T385 WeakPolarHBondContact O-CB 3.33Å; V382-T385 PolarHBondContact O-N 3.26Å; V382-T385 PolarHBondContact O-OG1 3.43Å; V382-F431 HydrophobicContact CB-CD1 4.39Å; V382-F431 HydrophobicContact CG1-CB 4.06Å; V382-F431 HydrophobicContact CG1-CD1 3.71Å; V382-F431 HydrophobicContact CG1-CG 4.3Å
383	R	88.8	Confident	94.1	Very high	89 Å²	89	23.6 Å²	23.6	34%	0.336	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	123.3	-170.7	-177	172	75.6	83.9	-2	111.3	K313 M347 G381 T385	K313-R383 VanDerWaalsContact CE-NE 3.35Å; K313-R383 VanDerWaalsContact CE-NH2 3.31Å; K313-R383 VanDerWaalsContact CG-CZ 3.48Å; K313-R383 PolarHBondContact O-NH2 3.35Å; M347-R383 HydrophobicContact CG-CG 4.23Å; M347-R383 HydrophobicContact SD-CG 3.64Å; M347-R383 PolarHBondContact SD-NH1 2.82Å; M347-R383 VanDerWaalsContact SD-NH1 3.41Å; G381-R383 PolarHBondContact O-N 2.72Å; R383-T385 VanDerWaalsContact C-N 3.3Å
384	G	90.1	Very high	94.1	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.021	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	7.2	177.1	0	0	0	0	0	114.1	S346 E350 V382 K388	S346-G384 VanDerWaalsContact CB-O 3.27Å; S346-G384 WeakPolarHBondContact CB-O 3.44Å; S346-G384 WeakPolarHBondContact OG-CA 3.46Å; S346-G384 PolarHBondContact OG-O 3.14Å; E350-G384 VanDerWaalsContact OE1-CA 3.24Å; E350-G384 WeakPolarHBondContact OE1-CA 2.94Å; V382-G384 PolarHBondContact O-N 3.18Å; G384-K388 WeakPolarHBondContact O-CG 3.22Å; G384-K388 PolarHBondContact O-N 3.4Å
385	T	94	Very high	94.1	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.031	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-44.1	-177	-67	0	0	0	0	112	V382 R383 G387 K388 I389 L411 F431	V382-T385 WeakPolarHBondContact O-CB 3.33Å; V382-T385 PolarHBondContact O-N 3.26Å; V382-T385 PolarHBondContact O-OG1 3.43Å; R383-T385 VanDerWaalsContact C-N 3.3Å; T385-G387 PolarHBondContact O-N 3.34Å; T385-K388 WeakPolarHBondContact O-CB 3.48Å; T385-K388 PolarHBondContact O-N 2.97Å; T385-I389 HydrophobicContact CG2-CD1 4.1Å; T385-I389 WeakPolarHBondContact O-CG1 3.5Å; T385-I389 PolarHBondContact O-N 3.1Å; T385-I389 VanDerWaalsContact O-N 3.08Å; T385-L411 HydrophobicContact CG2-CD1 4.1Å; T385-L411 HydrophobicContact CG2-CD2 3.52Å; T385-L411 HydrophobicContact CG2-CG 4.48Å; T385-F431 HydrophobicContact CG2-CD2 3.94Å; T385-F431 HydrophobicContact CG2-CE2 3.88Å; T385-F431 HydrophobicContact CG2-CZ 4.4Å
386	E	95.5	Very high	94.1	Very high	70 Å²	70	27.5 Å²	27.5	33%	0.327	14%	0.143	S	C	.	.	H	α-helix	trans	-68.2	-38.2	-178	-70.9	-60.3	144.5	0	0	112	E350 K388 I389 Q390 R418	E350-E386 HydrophobicContact CG-CB 4.45Å; E386-K388 VanDerWaalsContact C-N 3.31Å; E386-K388 PolarHBondContact O-N 3.12Å; E386-I389 WeakPolarHBondContact O-CB 3.25Å; E386-I389 PolarHBondContact O-N 3.36Å; E386-I389 VanDerWaalsContact O-N 3.16Å; E386-Q390 WeakPolarHBondContact O-CG 3.36Å; E386-Q390 PolarHBondContact O-N 3.31Å; E386-R418 VanDerWaalsContact CD-NH1 3.32Å; E386-R418 IonicContact OE1-CZ 3.91Å; E386-R418 IonicContact OE1-NH1 2.8Å; E386-R418 PolarHBondContact OE1-NH1 2.88Å; E386-R418 IonicContact OE1-NH2 2.99Å; E386-R418 PolarHBondContact OE1-NH2 3.02Å; E386-R418 IonicContact OE2-NH1 2.75Å; E386-R418 PolarHBondContact OE2-NH1 2.91Å
387	G	96.8	Very high	94.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-35.3	174.7	0	0	0	0	0	113.4	S346 T385 Q390 A391	S346-G387 WeakPolarHBondContact O-CA 3.28Å; T385-G387 PolarHBondContact O-N 3.34Å; G387-Q390 PolarHBondContact O-N 2.86Å; G387-A391 PolarHBondContact O-N 3.28Å; G387-A391 VanDerWaalsContact O-N 3.12Å
388	K	97.9	Very high	94.2	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	19%	0.192	C	C	.	.	H	α-helix	trans	-64.7	-43.3	171.2	-70.5	170.7	-177	-177.5	0	111.8	V311 V376 G384 T385 E386 Q390 A391 I392 L411	V311-K388 HydrophobicContact CG1-CG 4.12Å; V376-K388 HydrophobicContact CG1-CB 4.3Å; V376-K388 HydrophobicContact CG1-CD 3.88Å; V376-K388 HydrophobicContact CG1-CG 4.09Å; G384-K388 WeakPolarHBondContact O-CG 3.22Å; G384-K388 PolarHBondContact O-N 3.4Å; T385-K388 WeakPolarHBondContact O-CB 3.48Å; T385-K388 PolarHBondContact O-N 2.97Å; E386-K388 VanDerWaalsContact C-N 3.31Å; E386-K388 PolarHBondContact O-N 3.12Å; K388-Q390 VanDerWaalsContact C-N 3.27Å; K388-Q390 PolarHBondContact O-N 2.79Å; K388-A391 WeakPolarHBondContact O-CB 3.34Å; K388-A391 PolarHBondContact O-N 3.49Å; K388-A391 VanDerWaalsContact O-N 3.13Å; K388-I392 VanDerWaalsContact O-CG1 3.26Å; K388-I392 WeakPolarHBondContact O-CG1 3.45Å; K388-I392 PolarHBondContact O-N 3.02Å; K388-L411 HydrophobicContact CB-CD1 3.67Å; K388-L411 HydrophobicContact CD-CD1 3.69Å; K388-L411 HydrophobicContact CG-CD1 4.36Å
389	I	97.9	Very high	94.6	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-41.5	176.6	-68.9	168.7	0	0	0	110.5	T385 E386 I392 A393 L411 V414 E415	T385-I389 HydrophobicContact CG2-CD1 4.1Å; T385-I389 WeakPolarHBondContact O-CG1 3.5Å; T385-I389 PolarHBondContact O-N 3.1Å; T385-I389 VanDerWaalsContact O-N 3.08Å; E386-I389 WeakPolarHBondContact O-CB 3.25Å; E386-I389 PolarHBondContact O-N 3.36Å; E386-I389 VanDerWaalsContact O-N 3.16Å; I389-I392 PolarHBondContact O-N 3.48Å; I389-A393 WeakPolarHBondContact O-CB 3.22Å; I389-A393 PolarHBondContact O-N 3.02Å; I389-L411 HydrophobicContact CD1-CD2 4.33Å; I389-L411 HydrophobicContact CG1-CB 4.29Å; I389-L411 HydrophobicContact CG1-CD2 4.28Å; I389-V414 HydrophobicContact CD1-CG1 3.92Å; I389-E415 HydrophobicContact CG2-CB 4.03Å; I389-E415 HydrophobicContact CG2-CG 4.09Å
390	Q	98.1	Very high	95.1	Very high	79 Å²	79	44.7 Å²	44.7	37%	0.369	22%	0.217	S	C	.	.	H	α-helix	trans	-62.1	-42.7	174.8	-64.4	-59.6	-29.5	0	0	112.6	W365 E386 G387 K388 I392 A393 W394	W365-Q390 HydrophobicContact CH2-CB 4.21Å; W365-Q390 HydrophobicContact CZ2-CB 4.07Å; E386-Q390 WeakPolarHBondContact O-CG 3.36Å; E386-Q390 PolarHBondContact O-N 3.31Å; G387-Q390 PolarHBondContact O-N 2.86Å; K388-Q390 VanDerWaalsContact C-N 3.27Å; K388-Q390 PolarHBondContact O-N 2.79Å; Q390-I392 VanDerWaalsContact C-N 3.35Å; Q390-I392 PolarHBondContact O-N 3.29Å; Q390-A393 PolarHBondContact O-N 3.24Å; Q390-W394 WeakPolarHBondContact O-CB 3.48Å; Q390-W394 PolarHBondContact O-N 3.48Å
391	A	98.4	Very high	95.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.2	-40.5	176.8	0	0	0	0	0	112.5	V311 L349 L368 G387 K388 W394 A395	V311-A391 HydrophobicContact CG1-CB 4.18Å; V311-A391 HydrophobicContact CG2-CB 4Å; L349-A391 HydrophobicContact CD1-CB 3.91Å; L368-A391 HydrophobicContact CD1-CB 4.47Å; L368-A391 HydrophobicContact CD2-CB 4.03Å; G387-A391 PolarHBondContact O-N 3.28Å; G387-A391 VanDerWaalsContact O-N 3.12Å; K388-A391 WeakPolarHBondContact O-CB 3.34Å; K388-A391 PolarHBondContact O-N 3.49Å; K388-A391 VanDerWaalsContact O-N 3.13Å; A391-W394 PolarHBondContact O-N 2.97Å; A391-A395 WeakPolarHBondContact O-CB 3.32Å; A391-A395 PolarHBondContact O-N 3.36Å
392	I	98.7	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-46.3	177.4	-63	164.7	0	0	0	110.5	V376 K388 I389 Q390 W394 A395 R396 F402 L411 A412 E415 F527	V376-I392 HydrophobicContact CG2-CD1 4.43Å; V376-I392 HydrophobicContact CG2-CG1 4.07Å; K388-I392 VanDerWaalsContact O-CG1 3.26Å; K388-I392 WeakPolarHBondContact O-CG1 3.45Å; K388-I392 PolarHBondContact O-N 3.02Å; I389-I392 PolarHBondContact O-N 3.48Å; Q390-I392 VanDerWaalsContact C-N 3.35Å; Q390-I392 PolarHBondContact O-N 3.29Å; I392-W394 VanDerWaalsContact C-N 3.29Å; I392-W394 PolarHBondContact O-N 3.42Å; I392-A395 PolarHBondContact O-N 3.11Å; I392-R396 PolarHBondContact O-N 3.26Å; I392-F402 HydrophobicContact CD1-CZ 4.16Å; I392-F402 HydrophobicContact CG1-CE2 3.68Å; I392-F402 HydrophobicContact CG1-CZ 3.71Å; I392-F402 HydrophobicContact CG2-CE1 4.49Å; I392-F402 HydrophobicContact CG2-CZ 4.28Å; I392-L411 HydrophobicContact CD1-CB 3.6Å; I392-A412 HydrophobicContact CG2-CB 4.08Å; I392-E415 HydrophobicContact CB-CB 4.5Å; I392-E415 HydrophobicContact CB-CG 4.36Å; I392-E415 HydrophobicContact CG2-CB 4.17Å; I392-E415 HydrophobicContact CG2-CG 4.17Å; I392-F527 HydrophobicContact CG2-CE2 3.99Å; I392-F527 HydrophobicContact CG2-CZ 3.73Å
393	A	98.4	Very high	97	Very high	7 Å²	7	35 Å²	35	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-58.7	-43.3	176.8	0	0	0	0	0	111.4	I389 Q390 R396 N397 E415	I389-A393 WeakPolarHBondContact O-CB 3.22Å; I389-A393 PolarHBondContact O-N 3.02Å; Q390-A393 PolarHBondContact O-N 3.24Å; A393-R396 PolarHBondContact O-N 2.84Å; A393-N397 WeakPolarHBondContact O-CB 3.46Å; A393-N397 PolarHBondContact O-N 3.46Å; A393-N397 PolarHBondContact O-ND2 2.92Å; A393-E415 WeakPolarHBondContact CA-OE1 3.43Å; A393-E415 HydrophobicContact CB-CG 3.68Å; A393-E415 VanDerWaalsContact CB-OE1 3.27Å; A393-E415 WeakPolarHBondContact CB-OE1 3.35Å
394	W	98.5	Very high	97.5	Very high	41 Å²	41	30.8 Å²	30.8	16%	0.155	14%	0.144	C	C	.	.	H	α-helix	trans	-62.5	-46.2	175.7	-178	88.5	0	0	0	111.7	W365 L368 C369 V374 Q390 A391 I392 R396 N397 Q398 K400	W365-W394 HydrophobicContact CH2-CB 4.3Å; W365-W394 HydrophobicContact CZ3-CB 3.97Å; W365-W394 AromaticContact CZ3-CD1 3.71Å; W365-W394 AromaticContact CZ3-CG 3.85Å; W365-W394 HydrophobicContact CZ3-CG 3.85Å; L368-W394 HydrophobicContact CD1-CE3 4.33Å; L368-W394 HydrophobicContact CD1-CZ3 4.38Å; L368-W394 HydrophobicContact CD2-CD2 4.29Å; L368-W394 HydrophobicContact CD2-CE3 4.12Å; L368-W394 HydrophobicContact CD2-CG 4.48Å; L368-W394 HydrophobicContact CG-CD2 4.36Å; L368-W394 HydrophobicContact CG-CE3 3.88Å; L368-W394 HydrophobicContact CG-CZ3 4.04Å; L368-W394 WeakPolarHBondContact O-CH2 3.46Å; C369-W394 HydrophobicContact CB-CZ2 4.09Å; V374-W394 HydrophobicContact CG2-CE3 4.41Å; V374-W394 HydrophobicContact CG2-CZ3 4.08Å; Q390-W394 WeakPolarHBondContact O-CB 3.48Å; Q390-W394 PolarHBondContact O-N 3.48Å; A391-W394 PolarHBondContact O-N 2.97Å; I392-W394 VanDerWaalsContact C-N 3.29Å; I392-W394 PolarHBondContact O-N 3.42Å; W394-R396 VanDerWaalsContact C-N 3.35Å; W394-R396 PolarHBondContact O-N 3.39Å; W394-N397 PolarHBondContact O-N 2.89Å; W394-Q398 HydrophobicContact CD2-CG 4.09Å; W394-Q398 HydrophobicContact CG-CG 4.27Å; W394-Q398 HydrophobicContact CZ2-CB 4.34Å; W394-Q398 HydrophobicContact CZ2-CG 4.01Å; W394-Q398 WeakPolarHBondContact O-CB 3.34Å; W394-Q398 WeakPolarHBondContact O-CG 3.41Å; W394-Q398 PolarHBondContact O-N 3.44Å; W394-K400 HydrophobicContact CE3-CG 4.47Å; W394-K400 HydrophobicContact CH2-CD 4.09Å; W394-K400 HydrophobicContact CH2-CG 3.69Å; W394-K400 HydrophobicContact CZ3-CB 4.09Å; W394-K400 HydrophobicContact CZ3-CD 4.34Å; W394-K400 HydrophobicContact CZ3-CG 3.66Å
395	A	98.5	Very high	97.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.6	-46.2	179.2	0	0	0	0	0	111.6	V374 A391 I392 K399 K400 F402 H524	V374-A395 HydrophobicContact CB-CB 4.27Å; V374-A395 HydrophobicContact CG2-CB 4.12Å; A391-A395 WeakPolarHBondContact O-CB 3.32Å; A391-A395 PolarHBondContact O-N 3.36Å; I392-A395 PolarHBondContact O-N 3.11Å; A395-K399 PolarHBondContact O-N 3.02Å; A395-K399 VanDerWaalsContact O-N 3.11Å; A395-K400 HydrophobicContact CB-CB 4.38Å; A395-K400 PolarHBondContact O-N 3.22Å; A395-F402 HydrophobicContact CB-CB 4.15Å; A395-F402 HydrophobicContact CB-CD2 4.33Å; A395-H524 PolarHBondContact O-NE2 3.49Å
396	R	98.4	Very high	98	Very high	42 Å²	42	30.7 Å²	30.7	16%	0.158	14%	0.143	C	C	.	.	H	α-helix	trans	-59.5	-50.3	176.6	-173.2	177.6	59.4	63	6.3	112.1	I392 A393 W394 K399 E415 L521 F527	I392-R396 PolarHBondContact O-N 3.26Å; A393-R396 PolarHBondContact O-N 2.84Å; W394-R396 VanDerWaalsContact C-N 3.35Å; W394-R396 PolarHBondContact O-N 3.39Å; R396-K399 PolarHBondContact O-N 2.93Å; R396-E415 IonicContact CZ-OE1 3.82Å; R396-E415 IonicContact CZ-OE2 3.97Å; R396-E415 IonicContact NE-OE1 2.76Å; R396-E415 PolarHBondContact NE-OE1 3Å; R396-E415 IonicContact NE-OE2 3.78Å; R396-E415 PolarHBondContact NE-OE2 3.37Å; R396-E415 IonicContact NH2-OE1 2.88Å; R396-E415 PolarHBondContact NH2-OE1 2.96Å; R396-E415 IonicContact NH2-OE2 3.79Å; R396-L521 HydrophobicContact CG-CD2 3.59Å; R396-F527 HydrophobicContact CB-CD2 4.4Å; R396-F527 HydrophobicContact CB-CE2 3.92Å; R396-F527 HydrophobicContact CG-CE2 4.46Å
397	N	98	Very high	98.1	Very high	95 Å²	95	27.5 Å²	27.5	51%	0.508	13%	0.128	S	C	.	.	H	α-helix	trans	-69.2	-34.7	-175.9	-70	-31.8	0	0	0	112.7	A393 W394 K399	A393-N397 WeakPolarHBondContact O-CB 3.46Å; A393-N397 PolarHBondContact O-N 3.46Å; A393-N397 PolarHBondContact O-ND2 2.92Å; W394-N397 PolarHBondContact O-N 2.89Å; N397-K399 VanDerWaalsContact C-N 3.32Å
398	Q	97.8	Very high	98.1	Very high	115 Å²	115	27.5 Å²	27.5	54%	0.537	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	5.3	179.5	-60.5	-56.3	-47.2	0	0	113.5	W394 K400	W394-Q398 HydrophobicContact CD2-CG 4.09Å; W394-Q398 HydrophobicContact CG-CG 4.27Å; W394-Q398 HydrophobicContact CZ2-CB 4.34Å; W394-Q398 HydrophobicContact CZ2-CG 4.01Å; W394-Q398 WeakPolarHBondContact O-CB 3.34Å; W394-Q398 WeakPolarHBondContact O-CG 3.41Å; W394-Q398 PolarHBondContact O-N 3.44Å; Q398-K400 HydrophobicContact CB-CG 3.89Å; Q398-K400 PolarHBondContact O-N 3.21Å
399	K	97.7	Very high	98.2	Very high	119 Å²	119	27.4 Å²	27.4	52%	0.517	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	36	-175.4	-61.3	-164.4	177.1	-149.5	0	113.5	A395 R396 N397 D523 H524 P525	A395-K399 PolarHBondContact O-N 3.02Å; A395-K399 VanDerWaalsContact O-N 3.11Å; R396-K399 PolarHBondContact O-N 2.93Å; N397-K399 VanDerWaalsContact C-N 3.32Å; K399-D523 PolarHBondContact NZ-O 3.4Å; K399-H524 VanDerWaalsContact CA-NE2 3.32Å; K399-H524 WeakPolarHBondContact CA-NE2 3.47Å; K399-P525 HydrophobicContact CB-CG 4.36Å
400	K	98.1	Very high	98.2	Very high	55 Å²	55	27.5 Å²	27.5	24%	0.239	13%	0.128	C	C	.	.			trans	-86.2	129.2	-179.7	-72.5	-79.9	-172.9	165	0	109.6	A371 W394 A395 Q398 F402 H524	A371-K400 PolarHBondContact O-NZ 3.26Å; W394-K400 HydrophobicContact CE3-CG 4.47Å; W394-K400 HydrophobicContact CH2-CD 4.09Å; W394-K400 HydrophobicContact CH2-CG 3.69Å; W394-K400 HydrophobicContact CZ3-CB 4.09Å; W394-K400 HydrophobicContact CZ3-CD 4.34Å; W394-K400 HydrophobicContact CZ3-CG 3.66Å; A395-K400 HydrophobicContact CB-CB 4.38Å; A395-K400 PolarHBondContact O-N 3.22Å; Q398-K400 HydrophobicContact CB-CG 3.89Å; Q398-K400 PolarHBondContact O-N 3.21Å; K400-F402 PolarHBondContact O-N 2.72Å; K400-H524 PolarHBondContact O-CE1 3.26Å; K400-H524 PolarHBondContact O-NE2 3.16Å
401	P	98.6	Very high	98.2	Very high	11 Å²	11	23.8 Å²	23.8	7%	0.071	11%	0.111	C	C	.	.			trans	-46.8	127.2	176.8	-31.8	36.8	0	0	0	112.7	H372 G373 V374 F526 L550 A553	H372-P401 WeakPolarHBondContact O-CD 3.5Å; G373-P401 CarbonylContact C-O 3.56Å; G373-P401 VanDerWaalsContact CA-O 3.29Å; G373-P401 WeakPolarHBondContact CA-O 3.4Å; V374-P401 PolarHBondContact N-O 2.94Å; P401-F526 CarbonylContact C-O 3.59Å; P401-F526 VanDerWaalsContact CA-O 3.28Å; P401-F526 WeakPolarHBondContact CA-O 3.38Å; P401-F526 HydrophobicContact CB-CB 4.26Å; P401-L550 HydrophobicContact CB-CD1 4Å; P401-A553 HydrophobicContact CB-CB 3.81Å; P401-A553 HydrophobicContact CG-CB 3.78Å
402	F	98.8	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.3	-174	172.4	-100.5	0	0	0	111.5	V374 V376 I392 A395 K400 A412 F526 F527 V528	V374-F402 HydrophobicContact CB-CD2 4.16Å; V374-F402 HydrophobicContact CG1-CD2 4.1Å; V374-F402 WeakPolarHBondContact O-CA 3.28Å; V376-F402 HydrophobicContact CB-CE2 4.11Å; V376-F402 HydrophobicContact CB-CZ 4.36Å; V376-F402 HydrophobicContact CG2-CE2 3.76Å; V376-F402 HydrophobicContact CG2-CZ 4.37Å; I392-F402 HydrophobicContact CD1-CZ 4.16Å; I392-F402 HydrophobicContact CG1-CE2 3.68Å; I392-F402 HydrophobicContact CG1-CZ 3.71Å; I392-F402 HydrophobicContact CG2-CE1 4.49Å; I392-F402 HydrophobicContact CG2-CZ 4.28Å; A395-F402 HydrophobicContact CB-CB 4.15Å; A395-F402 HydrophobicContact CB-CD2 4.33Å; K400-F402 PolarHBondContact O-N 2.72Å; F402-A412 HydrophobicContact CE1-CB 4.14Å; F402-F526 PolarHBondContact N-O 3.49Å; F402-F526 WeakPolarHBondContact O-CD1 3.37Å; F402-F526 WeakPolarHBondContact O-CE1 3.27Å; F402-F527 HydrophobicContact CB-CD2 3.7Å; F402-F527 HydrophobicContact CB-CE2 4.13Å; F402-F527 HydrophobicContact CB-CG 4.36Å; F402-F527 HydrophobicContact CD1-CD1 4.18Å; F402-F527 AromaticContact CD1-CD2 3.65Å; F402-F527 HydrophobicContact CD1-CD2 3.65Å; F402-F527 HydrophobicContact CD1-CE1 4.08Å; F402-F527 AromaticContact CD1-CE2 3.52Å; F402-F527 HydrophobicContact CD1-CE2 3.52Å; F402-F527 AromaticContact CD1-CG 3.97Å; F402-F527 HydrophobicContact CD1-CG 3.97Å; F402-F527 AromaticContact CD1-CZ 3.75Å; F402-F527 HydrophobicContact CD1-CZ 3.75Å; F402-F527 HydrophobicContact CE1-CE1 4.29Å; F402-F527 HydrophobicContact CE1-CE2 4.15Å; F402-F527 AromaticContact CE1-CZ 3.97Å; F402-F527 HydrophobicContact CE1-CZ 3.97Å; F402-F527 AromaticContact CG-CD2 3.94Å; F402-F527 HydrophobicContact CG-CD2 3.94Å; F402-F527 AromaticContact CG-CE2 3.9Å; F402-F527 HydrophobicContact CG-CE2 3.9Å; F402-V528 PolarHBondContact O-N 2.82Å
403	L	98.9	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.5	166.5	-178.9	60.6	0	0	0	109.9	V374 L375 V376 V405 F526 V528 P546 Y547 L550	V374-L403 PolarHBondContact O-N 2.83Å; L375-L403 WeakPolarHBondContact CA-O 2.79Å; L375-L403 HydrophobicContact CD1-CB 3.89Å; L375-L403 HydrophobicContact CD1-CD2 3.95Å; L375-L403 HydrophobicContact CD1-CG 3.91Å; L375-L403 WeakPolarHBondContact CD1-O 3.45Å; V376-L403 PolarHBondContact N-O 3.36Å; L403-V405 HydrophobicContact CD2-CG2 4.3Å; L403-V405 HydrophobicContact CG-CG2 4.12Å; L403-F526 HydrophobicContact CB-CE1 4.44Å; L403-V528 CarbonylContact C-O 3.52Å; L403-V528 VanDerWaalsContact CA-O 3.29Å; L403-V528 WeakPolarHBondContact CA-O 3.44Å; L403-V528 HydrophobicContact CD1-CB 4.24Å; L403-V528 HydrophobicContact CD1-CG1 4.16Å; L403-P546 HydrophobicContact CD1-CB 3.97Å; L403-P546 HydrophobicContact CD2-CB 4.03Å; L403-Y547 HydrophobicContact CD2-CD1 4.03Å; L403-Y547 HydrophobicContact CD2-CE1 4.14Å; L403-Y547 HydrophobicContact CD2-CG 4.26Å; L403-L550 HydrophobicContact CB-CB 4.44Å; L403-L550 HydrophobicContact CB-CD1 4.19Å; L403-L550 HydrophobicContact CB-CD2 3.95Å; L403-L550 HydrophobicContact CB-CG 4.42Å; L403-L550 HydrophobicContact CD2-CD2 4.4Å
404	G	98.6	Very high	98.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.6	168.9	0	0	0	0	0	110.5	V528 G529 V530	G404-V528 PolarHBondContact N-O 2.84Å; G404-G529 CarbonylContact O-C 3.49Å; G404-G529 WeakPolarHBondContact O-CA 3.45Å; G404-V530 PolarHBondContact O-N 2.89Å
405	V	98.4	Very high	98.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.6	178.6	177.4	0	0	0	0	109.8	L375 V376 P377 G378 L403 L407 G408 V530 P534	L375-V405 HydrophobicContact CD1-CG2 4.15Å; V376-V405 PolarHBondContact O-N 3Å; P377-V405 CarbonylContact C-O 3.46Å; G378-V405 WeakPolarHBondContact CA-O 3.34Å; G378-V405 PolarHBondContact N-O 2.97Å; G378-V405 VanDerWaalsContact N-O 3.17Å; L403-V405 HydrophobicContact CD2-CG2 4.3Å; L403-V405 HydrophobicContact CG-CG2 4.12Å; V405-L407 PolarHBondContact O-N 2.89Å; V405-G408 PolarHBondContact O-N 2.85Å; V405-V530 CarbonylContact C-O 3.59Å; V405-V530 HydrophobicContact CG2-CG2 4.35Å; V405-P534 HydrophobicContact CG2-CG 4.29Å
406	C	96.8	Very high	98.2	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.034	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-106.5	-179.2	179.4	0	0	0	0	110.2	G408 M409 Q410 V530 Q531 H533	C406-G408 PolarHBondContact O-N 3.17Å; C406-G408 VanDerWaalsContact O-N 3.1Å; C406-M409 WeakPolarHBondContact O-CB 3.5Å; C406-M409 PolarHBondContact O-N 2.99Å; C406-Q410 PolarHBondContact O-N 3.44Å; C406-V530 PolarHBondContact N-O 2.99Å; C406-Q531 WeakPolarHBondContact CA-O 3.48Å; C406-H533 WeakPolarHBondContact CB-NE2 3.36Å
407	L	96.6	Very high	98.2	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-51.1	-35.5	172.9	179.5	60.5	0	0	0	113.2	G379 V405 M409 Q410 L411 F431	G379-L407 WeakPolarHBondContact O-CD2 3.36Å; V405-L407 PolarHBondContact O-N 2.89Å; L407-M409 VanDerWaalsContact C-N 3.3Å; L407-M409 PolarHBondContact O-N 2.9Å; L407-Q410 WeakPolarHBondContact O-CB 3.44Å; L407-Q410 PolarHBondContact O-N 2.86Å; L407-L411 HydrophobicContact CD1-CD1 4.17Å; L407-L411 HydrophobicContact CD1-CD2 4.12Å; L407-L411 HydrophobicContact CD1-CG 3.85Å; L407-L411 HydrophobicContact CD2-CD1 4.44Å; L407-L411 HydrophobicContact CG-CD1 4.02Å; L407-L411 HydrophobicContact CG-CG 4.1Å; L407-L411 WeakPolarHBondContact O-CG 3.36Å; L407-L411 PolarHBondContact O-N 3.27Å; L407-F431 HydrophobicContact CD1-CE2 4.17Å; L407-F431 HydrophobicContact CD1-CZ 3.69Å
408	G	97.8	Very high	98.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.8	-36	177.7	0	0	0	0	0	113.7	V405 C406 A412	V405-G408 PolarHBondContact O-N 2.85Å; C406-G408 PolarHBondContact O-N 3.17Å; C406-G408 VanDerWaalsContact O-N 3.1Å; G408-A412 PolarHBondContact O-N 2.75Å; G408-A412 VanDerWaalsContact O-N 3.17Å
409	M	98.4	Very high	98.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-67.6	-45.6	173.1	175.5	177.7	162.9	0	0	111.1	C406 L407 L411 A412 V413 V491 F506 M516 V519 Q531	C406-M409 WeakPolarHBondContact O-CB 3.5Å; C406-M409 PolarHBondContact O-N 2.99Å; L407-M409 VanDerWaalsContact C-N 3.3Å; L407-M409 PolarHBondContact O-N 2.9Å; M409-L411 VanDerWaalsContact C-N 3.32Å; M409-L411 PolarHBondContact O-N 2.74Å; M409-A412 WeakPolarHBondContact O-CB 3.32Å; M409-A412 PolarHBondContact O-N 3.27Å; M409-A412 VanDerWaalsContact O-N 3.12Å; M409-V413 PolarHBondContact O-N 3.34Å; M409-V413 VanDerWaalsContact O-N 3.13Å; M409-V491 HydrophobicContact CE-CG2 4.1Å; M409-F506 HydrophobicContact CE-CD1 4.3Å; M409-F506 HydrophobicContact CE-CE1 4.1Å; M409-M516 VanDerWaalsContact CE-O 3.31Å; M409-M516 WeakPolarHBondContact CE-O 3.49Å; M409-V519 HydrophobicContact CE-CB 4.13Å; M409-V519 HydrophobicContact CE-CG1 4.23Å; M409-V519 HydrophobicContact CG-CG1 3.81Å; M409-V519 HydrophobicContact SD-CG1 4.3Å; M409-Q531 HydrophobicContact CE-CG 4.26Å; M409-Q531 HydrophobicContact SD-CB 4.29Å; M409-Q531 HydrophobicContact SD-CG 3.71Å
410	Q	98.3	Very high	98.2	Very high	6 Å²	6	11.2 Å²	11.2	3%	0.028	6%	0.057	C	C	.	.	H	α-helix	trans	-59.3	-45.2	-179.4	-63	173.3	12.7	0	0	111	C406 L407 A412 V413 V414 V440 F489	C406-Q410 PolarHBondContact O-N 3.44Å; L407-Q410 WeakPolarHBondContact O-CB 3.44Å; L407-Q410 PolarHBondContact O-N 2.86Å; Q410-A412 VanDerWaalsContact C-N 3.3Å; Q410-A412 PolarHBondContact O-N 3.23Å; Q410-V413 PolarHBondContact O-N 3.46Å; Q410-V414 WeakPolarHBondContact O-CG2 3.38Å; Q410-V414 PolarHBondContact O-N 3.34Å; Q410-V440 HydrophobicContact CB-CG1 4.4Å; Q410-V440 HydrophobicContact CB-CG2 4.1Å; Q410-V440 HydrophobicContact CG-CG1 4.24Å; Q410-V440 HydrophobicContact CG-CG2 4.47Å; Q410-F489 PolarHBondContact NE2-O 2.91Å; Q410-F489 VanDerWaalsContact NE2-O 3.12Å
411	L	98.4	Very high	98.1	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-69.1	-27	177.8	-63.1	-174.7	0	0	0	113.1	T385 K388 I389 I392 L407 M409 V414 E415 F431	T385-L411 HydrophobicContact CG2-CD1 4.1Å; T385-L411 HydrophobicContact CG2-CD2 3.52Å; T385-L411 HydrophobicContact CG2-CG 4.48Å; K388-L411 HydrophobicContact CB-CD1 3.67Å; K388-L411 HydrophobicContact CD-CD1 3.69Å; K388-L411 HydrophobicContact CG-CD1 4.36Å; I389-L411 HydrophobicContact CD1-CD2 4.33Å; I389-L411 HydrophobicContact CG1-CB 4.29Å; I389-L411 HydrophobicContact CG1-CD2 4.28Å; I392-L411 HydrophobicContact CD1-CB 3.6Å; L407-L411 HydrophobicContact CD1-CD1 4.17Å; L407-L411 HydrophobicContact CD1-CD2 4.12Å; L407-L411 HydrophobicContact CD1-CG 3.85Å; L407-L411 HydrophobicContact CD2-CD1 4.44Å; L407-L411 HydrophobicContact CG-CD1 4.02Å; L407-L411 HydrophobicContact CG-CG 4.1Å; L407-L411 WeakPolarHBondContact O-CG 3.36Å; L407-L411 PolarHBondContact O-N 3.27Å; M409-L411 VanDerWaalsContact C-N 3.32Å; M409-L411 PolarHBondContact O-N 2.74Å; L411-V414 PolarHBondContact O-N 2.88Å; L411-E415 WeakPolarHBondContact O-CB 3.4Å; L411-E415 PolarHBondContact O-N 3.41Å; L411-F431 HydrophobicContact CD2-CE2 3.84Å
412	A	98.6	Very high	98	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.4	-38.4	172.1	0	0	0	0	0	112	I392 F402 G408 M409 Q410 F416 F527	I392-A412 HydrophobicContact CG2-CB 4.08Å; F402-A412 HydrophobicContact CE1-CB 4.14Å; G408-A412 PolarHBondContact O-N 2.75Å; G408-A412 VanDerWaalsContact O-N 3.17Å; M409-A412 WeakPolarHBondContact O-CB 3.32Å; M409-A412 PolarHBondContact O-N 3.27Å; M409-A412 VanDerWaalsContact O-N 3.12Å; Q410-A412 VanDerWaalsContact C-N 3.3Å; Q410-A412 PolarHBondContact O-N 3.23Å; A412-F416 VanDerWaalsContact O-CB 3.27Å; A412-F416 WeakPolarHBondContact O-CB 3.38Å; A412-F416 PolarHBondContact O-N 3.05Å; A412-F527 HydrophobicContact CB-CE1 4.03Å; A412-F527 HydrophobicContact CB-CZ 3.97Å
413	V	98.4	Very high	97.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.7	-42	173.1	175.7	0	0	0	0	111.2	M409 Q410 S417 V439 V491 L499 L504 F506	M409-V413 PolarHBondContact O-N 3.34Å; M409-V413 VanDerWaalsContact O-N 3.13Å; Q410-V413 PolarHBondContact O-N 3.46Å; V413-S417 WeakPolarHBondContact O-CB 3.31Å; V413-S417 PolarHBondContact O-N 3.21Å; V413-S417 PolarHBondContact O-OG 3.1Å; V413-V439 HydrophobicContact CG1-CB 4.31Å; V413-V439 HydrophobicContact CG1-CG2 4.49Å; V413-V491 HydrophobicContact CG1-CG1 4.28Å; V413-V491 HydrophobicContact CG2-CG2 3.94Å; V413-L499 HydrophobicContact CG1-CD1 3.74Å; V413-L499 HydrophobicContact CG1-CD2 4.44Å; V413-L504 HydrophobicContact CG2-CD2 4.23Å; V413-F506 HydrophobicContact CG2-CE1 4.38Å; V413-F506 HydrophobicContact CG2-CZ 4.4Å
414	V	98.3	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-49.1	175.3	173.5	0	0	0	0	111.2	I389 Q410 L411 F416 S417 R418 V439 V440	I389-V414 HydrophobicContact CD1-CG1 3.92Å; Q410-V414 WeakPolarHBondContact O-CG2 3.38Å; Q410-V414 PolarHBondContact O-N 3.34Å; L411-V414 PolarHBondContact O-N 2.88Å; V414-F416 PolarHBondContact O-N 2.77Å; V414-S417 PolarHBondContact O-N 2.72Å; V414-R418 WeakPolarHBondContact O-CG 3.47Å; V414-R418 PolarHBondContact O-N 3.07Å; V414-V439 HydrophobicContact CG2-CG2 3.75Å; V414-V440 HydrophobicContact CG2-CG2 4.47Å
415	E	98.3	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57	-48.9	177.9	-174.2	-79.8	146.4	0	0	111.6	I389 I392 A393 R396 L411 S417 R418 N419	I389-E415 HydrophobicContact CG2-CB 4.03Å; I389-E415 HydrophobicContact CG2-CG 4.09Å; I392-E415 HydrophobicContact CB-CB 4.5Å; I392-E415 HydrophobicContact CB-CG 4.36Å; I392-E415 HydrophobicContact CG2-CB 4.17Å; I392-E415 HydrophobicContact CG2-CG 4.17Å; A393-E415 WeakPolarHBondContact CA-OE1 3.43Å; A393-E415 HydrophobicContact CB-CG 3.68Å; A393-E415 VanDerWaalsContact CB-OE1 3.27Å; A393-E415 WeakPolarHBondContact CB-OE1 3.35Å; R396-E415 IonicContact CZ-OE1 3.82Å; R396-E415 IonicContact CZ-OE2 3.97Å; R396-E415 IonicContact NE-OE1 2.76Å; R396-E415 PolarHBondContact NE-OE1 3Å; R396-E415 IonicContact NE-OE2 3.78Å; R396-E415 PolarHBondContact NE-OE2 3.37Å; R396-E415 IonicContact NH2-OE1 2.88Å; R396-E415 PolarHBondContact NH2-OE1 2.96Å; R396-E415 IonicContact NH2-OE2 3.79Å; L411-E415 WeakPolarHBondContact O-CB 3.4Å; L411-E415 PolarHBondContact O-N 3.41Å; E415-S417 VanDerWaalsContact C-N 3.33Å; E415-S417 PolarHBondContact O-N 3.44Å; E415-R418 PolarHBondContact O-N 3.19Å; E415-N419 WeakPolarHBondContact O-CB 3.22Å; E415-N419 PolarHBondContact O-N 3.06Å; E415-N419 PolarHBondContact OE1-ND2 2.7Å
416	F	98.5	Very high	97.6	Very high	4 Å²	4	26 Å²	26	2%	0.018	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-40.7	-178.4	-170.4	-89.8	0	0	0	111.5	A412 V414 R418 N419 V420 L421 L499 Q502 L504 L521	A412-F416 VanDerWaalsContact O-CB 3.27Å; A412-F416 WeakPolarHBondContact O-CB 3.38Å; A412-F416 PolarHBondContact O-N 3.05Å; V414-F416 PolarHBondContact O-N 2.77Å; F416-R418 PolarHBondContact O-N 3.23Å; F416-N419 PolarHBondContact O-N 3.17Å; F416-V420 HydrophobicContact CD1-CB 4.18Å; F416-V420 HydrophobicContact CD2-CB 4.19Å; F416-V420 HydrophobicContact CD2-CG2 3.67Å; F416-V420 HydrophobicContact CE1-CB 3.97Å; F416-V420 HydrophobicContact CE1-CG1 4.02Å; F416-V420 HydrophobicContact CE1-CG2 4.47Å; F416-V420 HydrophobicContact CE2-CB 3.97Å; F416-V420 HydrophobicContact CE2-CG1 4.08Å; F416-V420 HydrophobicContact CE2-CG2 3.58Å; F416-V420 HydrophobicContact CG-CB 4.29Å; F416-V420 HydrophobicContact CG-CG2 4.16Å; F416-V420 HydrophobicContact CZ-CB 3.86Å; F416-V420 HydrophobicContact CZ-CG1 3.66Å; F416-V420 HydrophobicContact CZ-CG2 4.02Å; F416-V420 WeakPolarHBondContact O-CA 3.19Å; F416-V420 WeakPolarHBondContact O-CB 3.06Å; F416-V420 PolarHBondContact O-N 3.16Å; F416-L421 PolarHBondContact O-N 3.48Å; F416-L499 HydrophobicContact CD1-CD2 3.8Å; F416-L499 HydrophobicContact CE1-CD2 4.36Å; F416-Q502 HydrophobicContact CE1-CB 3.81Å; F416-Q502 HydrophobicContact CZ-CB 3.81Å; F416-L504 HydrophobicContact CB-CD2 3.98Å; F416-L504 HydrophobicContact CD1-CB 3.96Å; F416-L504 HydrophobicContact CD1-CD2 3.89Å; F416-L504 HydrophobicContact CD1-CG 4.48Å; F416-L504 HydrophobicContact CD2-CB 4.31Å; F416-L504 HydrophobicContact CD2-CD1 4.44Å; F416-L504 HydrophobicContact CD2-CD2 4.47Å; F416-L504 HydrophobicContact CE1-CB 3.73Å; F416-L504 HydrophobicContact CE2-CB 4.1Å; F416-L504 HydrophobicContact CG-CB 4.24Å; F416-L504 HydrophobicContact CG-CD2 3.86Å; F416-L504 HydrophobicContact CG-CG 4.45Å; F416-L504 HydrophobicContact CZ-CB 3.8Å; F416-L521 HydrophobicContact CD2-CD1 4.17Å; F416-L521 HydrophobicContact CE2-CD1 3.53Å; F416-L521 HydrophobicContact CZ-CD1 4.3Å
417	S	98.3	Very high	97.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.6	-42	176	-56.7	0	0	0	0	112.1	V413 V414 E415 L421 G422 W423	V413-S417 WeakPolarHBondContact O-CB 3.31Å; V413-S417 PolarHBondContact O-N 3.21Å; V413-S417 PolarHBondContact O-OG 3.1Å; V414-S417 PolarHBondContact O-N 2.72Å; E415-S417 VanDerWaalsContact C-N 3.33Å; E415-S417 PolarHBondContact O-N 3.44Å; S417-L421 WeakPolarHBondContact O-CB 3.42Å; S417-G422 PolarHBondContact O-N 3.37Å; S417-W423 PolarHBondContact O-N 3.47Å
418	R	98.1	Very high	97.6	Very high	29 Å²	29	26.4 Å²	26.4	11%	0.109	13%	0.133	C	C	.	.	H	α-helix	trans	-69.5	-39.7	179.3	-70.9	178.7	-178.7	-177.1	2.4	113.1	E386 V414 E415 F416 W423 A426 N427	E386-R418 VanDerWaalsContact CD-NH1 3.32Å; E386-R418 IonicContact OE1-CZ 3.91Å; E386-R418 IonicContact OE1-NH1 2.8Å; E386-R418 PolarHBondContact OE1-NH1 2.88Å; E386-R418 IonicContact OE1-NH2 2.99Å; E386-R418 PolarHBondContact OE1-NH2 3.02Å; E386-R418 IonicContact OE2-NH1 2.75Å; E386-R418 PolarHBondContact OE2-NH1 2.91Å; V414-R418 WeakPolarHBondContact O-CG 3.47Å; V414-R418 PolarHBondContact O-N 3.07Å; E415-R418 PolarHBondContact O-N 3.19Å; F416-R418 PolarHBondContact O-N 3.23Å; R418-W423 WeakPolarHBondContact CA-O 3.45Å; R418-W423 WeakPolarHBondContact CG-O 3.43Å; R418-A426 HydrophobicContact CG-CB 4.33Å; R418-A426 PolarHBondContact NE-O 3.01Å; R418-A426 PolarHBondContact NH2-O 2.92Å; R418-N427 PolarHBondContact NH2-ND2 2.75Å
419	N	97.8	Very high	97.5	Very high	70 Å²	70	28.2 Å²	28.2	37%	0.374	14%	0.144	S	C	.	.	H	α-helix	trans	-101.3	-30.4	-168	-70.8	-34.8	0	0	0	114.5	E415 F416 R424	E415-N419 WeakPolarHBondContact O-CB 3.22Å; E415-N419 PolarHBondContact O-N 3.06Å; E415-N419 PolarHBondContact OE1-ND2 2.7Å; F416-N419 PolarHBondContact O-N 3.17Å; N419-R424 PolarHBondContact OD1-NH1 3.25Å
420	V	97.6	Very high	97.3	Very high	51 Å²	51	30.5 Å²	30.5	31%	0.309	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-47.6	-179.4	-175.9	0	0	0	0	111.2	F416 G422 Q502	F416-V420 HydrophobicContact CD1-CB 4.18Å; F416-V420 HydrophobicContact CD2-CB 4.19Å; F416-V420 HydrophobicContact CD2-CG2 3.67Å; F416-V420 HydrophobicContact CE1-CB 3.97Å; F416-V420 HydrophobicContact CE1-CG1 4.02Å; F416-V420 HydrophobicContact CE1-CG2 4.47Å; F416-V420 HydrophobicContact CE2-CB 3.97Å; F416-V420 HydrophobicContact CE2-CG1 4.08Å; F416-V420 HydrophobicContact CE2-CG2 3.58Å; F416-V420 HydrophobicContact CG-CB 4.29Å; F416-V420 HydrophobicContact CG-CG2 4.16Å; F416-V420 HydrophobicContact CZ-CB 3.86Å; F416-V420 HydrophobicContact CZ-CG1 3.66Å; F416-V420 HydrophobicContact CZ-CG2 4.02Å; F416-V420 WeakPolarHBondContact O-CA 3.19Å; F416-V420 WeakPolarHBondContact O-CB 3.06Å; F416-V420 PolarHBondContact O-N 3.16Å; V420-G422 VanDerWaalsContact C-N 3.33Å; V420-Q502 HydrophobicContact CG1-CB 4.16Å
421	L	96.8	Very high	97	Very high	40 Å²	40	31.8 Å²	31.8	21%	0.209	16%	0.16	C	C	.	.	S	Bend	trans	-79.4	-16.6	176	-66.6	172.3	0	0	0	113.3	F416 S417 W423 C498 L499 Q502	F416-L421 PolarHBondContact O-N 3.48Å; S417-L421 WeakPolarHBondContact O-CB 3.42Å; L421-W423 VanDerWaalsContact C-N 3.29Å; L421-W423 HydrophobicContact CB-CD2 4.02Å; L421-W423 HydrophobicContact CB-CE3 4.38Å; L421-W423 HydrophobicContact CB-CG 4.26Å; L421-W423 HydrophobicContact CD1-CD2 4.31Å; L421-W423 HydrophobicContact CD1-CE3 3.91Å; L421-W423 HydrophobicContact CD1-CH2 3.81Å; L421-W423 HydrophobicContact CD1-CZ2 4.21Å; L421-W423 HydrophobicContact CD1-CZ3 3.65Å; L421-W423 PolarHBondContact O-N 3.34Å; L421-C498 HydrophobicContact CD1-CB 4.45Å; L421-L499 HydrophobicContact CD1-CD2 3.66Å; L421-L499 HydrophobicContact CD1-CG 4.32Å; L421-Q502 HydrophobicContact CD2-CB 4.45Å; L421-Q502 HydrophobicContact CD2-CG 3.48Å; L421-Q502 VanDerWaalsContact CD2-CG 3.48Å; L421-Q502 HydrophobicContact CG-CG 4.43Å
422	G	96.8	Very high	96.8	Very high	44 Å²	44	33.9 Å²	33.9	45%	0.454	17%	0.172	S	C	.	.			trans	77.4	9.9	179.2	0	0	0	0	0	114.6	S417 V420 R424	S417-G422 PolarHBondContact O-N 3.37Å; V420-G422 VanDerWaalsContact C-N 3.33Å; G422-R424 VanDerWaalsContact C-N 3.3Å; G422-R424 PolarHBondContact O-N 3.06Å
423	W	97.3	Very high	96.6	Very high	53 Å²	53	38.8 Å²	38.8	20%	0.201	20%	0.203	C	C	.	.			trans	-77.4	79.9	176.6	-59.3	-19.4	0	0	0	110.2	S417 R418 L421 D425 A426 H437 V439 W495 C498	S417-W423 PolarHBondContact O-N 3.47Å; R418-W423 WeakPolarHBondContact CA-O 3.45Å; R418-W423 WeakPolarHBondContact CG-O 3.43Å; L421-W423 VanDerWaalsContact C-N 3.29Å; L421-W423 HydrophobicContact CB-CD2 4.02Å; L421-W423 HydrophobicContact CB-CE3 4.38Å; L421-W423 HydrophobicContact CB-CG 4.26Å; L421-W423 HydrophobicContact CD1-CD2 4.31Å; L421-W423 HydrophobicContact CD1-CE3 3.91Å; L421-W423 HydrophobicContact CD1-CH2 3.81Å; L421-W423 HydrophobicContact CD1-CZ2 4.21Å; L421-W423 HydrophobicContact CD1-CZ3 3.65Å; L421-W423 PolarHBondContact O-N 3.34Å; W423-D425 PolarHBondContact O-N 3.2Å; W423-D425 VanDerWaalsContact O-N 3.15Å; W423-A426 HydrophobicContact CB-CB 3.91Å; W423-A426 WeakPolarHBondContact O-CB 3.18Å; W423-A426 PolarHBondContact O-N 3.4Å; W423-H437 HydrophobicContact CB-CB 4.38Å; W423-H437 AromaticContact CD1-NE2 3.9Å; W423-H437 AromaticContact CD2-CD2 3.71Å; W423-H437 HydrophobicContact CE3-CB 4.38Å; W423-H437 AromaticContact CG-CD2 3.8Å; W423-H437 AromaticContact CG-NE2 3.97Å; W423-V439 HydrophobicContact CE3-CG1 4.29Å; W423-V439 HydrophobicContact CZ3-CG1 4.35Å; W423-W495 HydrophobicContact CH2-CD2 4.15Å; W423-W495 AromaticContact CH2-CE3 3.47Å; W423-W495 HydrophobicContact CH2-CE3 3.47Å; W423-W495 VanDerWaalsContact CH2-CE3 3.47Å; W423-W495 AromaticContact CH2-CZ3 3.87Å; W423-W495 HydrophobicContact CH2-CZ3 3.87Å; W423-W495 HydrophobicContact CZ2-CE3 4.35Å; W423-W495 HydrophobicContact CZ2-CZ3 4.34Å; W423-W495 HydrophobicContact CZ3-CB 4.42Å; W423-W495 HydrophobicContact CZ3-CD2 4.03Å; W423-W495 AromaticContact CZ3-CE3 3.82Å; W423-W495 HydrophobicContact CZ3-CE3 3.82Å; W423-W495 HydrophobicContact CZ3-CG 4.31Å; W423-W495 HydrophobicContact CZ3-CZ3 4.4Å; W423-C498 HydrophobicContact CH2-CB 3.79Å; W423-C498 HydrophobicContact CZ2-CB 4.4Å
424	R	95.9	Very high	96.4	Very high	182 Å²	182	44.8 Å²	44.8	69%	0.687	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.2	-171.6	-66.6	-60.9	-171.4	-178.1	-0.8	114.1	N419 G422	N419-R424 PolarHBondContact OD1-NH1 3.25Å; G422-R424 VanDerWaalsContact C-N 3.3Å; G422-R424 PolarHBondContact O-N 3.06Å
425	D	96	Very high	96.3	Very high	57 Å²	57	45.5 Å²	45.5	31%	0.305	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-1.3	179.2	71.2	-50.2	0	0	0	113.5	W423 N427 T435 S436 H437	W423-D425 PolarHBondContact O-N 3.2Å; W423-D425 VanDerWaalsContact O-N 3.15Å; D425-N427 PolarHBondContact O-N 3.29Å; D425-T435 PolarHBondContact O-OG1 2.84Å; D425-S436 WeakPolarHBondContact OD2-CA 3.31Å; D425-S436 WeakPolarHBondContact OD2-CB 3.36Å; D425-S436 PolarHBondContact OD2-N 2.93Å; D425-S436 PolarHBondContact OD2-OG 2.64Å; D425-H437 IonicContact OD1-CE1 3.45Å; D425-H437 PolarHBondContact OD1-CE1 3.42Å; D425-H437 IonicContact OD1-CG 3.81Å; D425-H437 IonicContact OD1-ND1 2.71Å; D425-H437 PolarHBondContact OD1-ND1 3.37Å; D425-H437 IonicContact OD2-ND1 3.34Å; D425-H437 PolarHBondContact OD2-ND1 3.38Å
426	A	97.4	Very high	96.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.272	C	S	.	.			trans	-56.2	130.1	-179.7	0	0	0	0	0	111.4	R418 W423 H437 V439	R418-A426 HydrophobicContact CG-CB 4.33Å; R418-A426 PolarHBondContact NE-O 3.01Å; R418-A426 PolarHBondContact NH2-O 2.92Å; W423-A426 HydrophobicContact CB-CB 3.91Å; W423-A426 WeakPolarHBondContact O-CB 3.18Å; W423-A426 PolarHBondContact O-N 3.4Å; A426-H437 WeakPolarHBondContact CA-O 3.49Å; A426-H437 HydrophobicContact CB-CB 3.92Å; A426-V439 HydrophobicContact CB-CG1 4.08Å; A426-V439 HydrophobicContact CB-CG2 4.3Å
427	N	96.9	Very high	96.1	Very high	16 Å²	16	51.2 Å²	51.2	9%	0.086	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	171.8	-176	-143.6	-23.3	0	0	0	112.6	R418 D425 D432 T435 H437 V439	R418-N427 PolarHBondContact NH2-ND2 2.75Å; D425-N427 PolarHBondContact O-N 3.29Å; N427-D432 HydrophobicContact CB-CB 4.06Å; N427-D432 WeakPolarHBondContact ND2-CB 3.34Å; N427-T435 HydrophobicContact CB-CG2 4.21Å; N427-H437 PolarHBondContact N-O 3.25Å; N427-V439 PolarHBondContact O-N 3.09Å; N427-V439 VanDerWaalsContact O-N 3.16Å
428	S	96.5	Very high	96.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	141.2	164.6	177	0	0	0	0	110.3	E430 F431 D432 V440	S428-E430 PolarHBondContact O-N 3.28Å; S428-E430 WeakPolarHBondContact OG-CB 3.45Å; S428-E430 PolarHBondContact OG-N 3.06Å; S428-E430 VanDerWaalsContact OG-N 3.1Å; S428-F431 PolarHBondContact O-N 3.07Å; S428-D432 PolarHBondContact O-N 3.01Å; S428-V440 WeakPolarHBondContact CA-O 3.26Å
429	T	95.6	Very high	96.1	Very high	39 Å²	39	51.4 Å²	51.4	24%	0.239	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.7	170.9	61.7	0	0	0	0	113	F431 P438 V440 V441 D442	T429-F431 VanDerWaalsContact C-N 3.32Å; T429-P438 HydrophobicContact CG2-CB 3.85Å; T429-V440 PolarHBondContact N-O 3.4Å; T429-V441 HydrophobicContact CG2-CG1 4Å; T429-V441 WeakPolarHBondContact OG1-CA 3.33Å; T429-D442 PolarHBondContact OG1-N 3.04Å
430	E	93.4	Very high	96	Very high	48 Å²	48	48.1 Å²	48.1	22%	0.224	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-38.7	168.4	-170.5	-176.6	167.4	0	0	111.6	G381 S428 F489	G381-E430 PolarHBondContact N-OE1 3.14Å; S428-E430 PolarHBondContact O-N 3.28Å; S428-E430 WeakPolarHBondContact OG-CB 3.45Å; S428-E430 PolarHBondContact OG-N 3.06Å; S428-E430 VanDerWaalsContact OG-N 3.1Å; E430-F489 HydrophobicContact CB-CD1 4.14Å; E430-F489 HydrophobicContact CB-CD2 4.13Å; E430-F489 HydrophobicContact CB-CE1 3.7Å; E430-F489 HydrophobicContact CB-CE2 3.69Å; E430-F489 HydrophobicContact CB-CG 4.36Å; E430-F489 HydrophobicContact CB-CZ 3.47Å; E430-F489 VanDerWaalsContact CB-CZ 3.47Å; E430-F489 HydrophobicContact CG-CD2 4.27Å; E430-F489 HydrophobicContact CG-CE1 4.42Å; E430-F489 HydrophobicContact CG-CE2 3.58Å; E430-F489 HydrophobicContact CG-CZ 3.68Å
431	F	92.8	Very high	96	Very high	32 Å²	32	47 Å²	47	14%	0.14	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-39.8	-170.2	-49.2	-44.1	0	0	0	112.5	V382 T385 L407 L411 S428 T429	V382-F431 HydrophobicContact CB-CD1 4.39Å; V382-F431 HydrophobicContact CG1-CB 4.06Å; V382-F431 HydrophobicContact CG1-CD1 3.71Å; V382-F431 HydrophobicContact CG1-CG 4.3Å; T385-F431 HydrophobicContact CG2-CD2 3.94Å; T385-F431 HydrophobicContact CG2-CE2 3.88Å; T385-F431 HydrophobicContact CG2-CZ 4.4Å; L407-F431 HydrophobicContact CD1-CE2 4.17Å; L407-F431 HydrophobicContact CD1-CZ 3.69Å; L411-F431 HydrophobicContact CD2-CE2 3.84Å; S428-F431 PolarHBondContact O-N 3.07Å; T429-F431 VanDerWaalsContact C-N 3.32Å
432	D	94.4	Very high	95.9	Very high	46 Å²	46	48.2 Å²	48.2	25%	0.246	27%	0.268	C	S	.	.			trans	-138.2	94.3	177.2	-179.3	4.2	0	0	0	109.6	N427 S428 T434 T435	N427-D432 HydrophobicContact CB-CB 4.06Å; N427-D432 WeakPolarHBondContact ND2-CB 3.34Å; S428-D432 PolarHBondContact O-N 3.01Å; D432-T434 PolarHBondContact O-N 3.41Å; D432-T434 WeakPolarHBondContact OD1-CA 3.3Å; D432-T434 PolarHBondContact OD1-N 3.26Å; D432-T434 PolarHBondContact OD1-OG1 3.4Å; D432-T435 VanDerWaalsContact O-CG2 3.31Å; D432-T435 WeakPolarHBondContact O-CG2 3.23Å; D432-T435 PolarHBondContact OD1-N 2.96Å
433	P	93.6	Very high	95.8	Very high	102 Å²	102	48.2 Å²	48.2	66%	0.662	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.3	176	-20	31.8	0	0	0	114.1
434	T	95.3	Very high	95.5	Very high	127 Å²	127	47.1 Å²	47.1	78%	0.779	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-1.2	-174	63.9	0	0	0	0	114	D432	D432-T434 PolarHBondContact O-N 3.41Å; D432-T434 WeakPolarHBondContact OD1-CA 3.3Å; D432-T434 PolarHBondContact OD1-N 3.26Å; D432-T434 PolarHBondContact OD1-OG1 3.4Å
435	T	96	Very high	95.1	Very high	15 Å²	15	39 Å²	39	9%	0.092	23%	0.226	C	C	.	.			trans	-54.5	139.8	176.8	179	0	0	0	0	112.1	D425 N427 D432 H437 P438	D425-T435 PolarHBondContact O-OG1 2.84Å; N427-T435 HydrophobicContact CB-CG2 4.21Å; D432-T435 VanDerWaalsContact O-CG2 3.31Å; D432-T435 WeakPolarHBondContact O-CG2 3.23Å; D432-T435 PolarHBondContact OD1-N 2.96Å; T435-H437 VanDerWaalsContact C-N 3.29Å; T435-H437 PolarHBondContact OG1-N 3.46Å; T435-H437 PolarHBondContact OG1-O 3.31Å; T435-P438 HydrophobicContact CG2-CB 3.91Å
436	S	95.5	Very high	94.7	Very high	82 Å²	82	43 Å²	43	57%	0.573	24%	0.243	S	C	*	.	S	Bend	trans	-80.3	-15.4	174.4	74.1	0	0	0	0	112.5	D425 P438	D425-S436 WeakPolarHBondContact OD2-CA 3.31Å; D425-S436 WeakPolarHBondContact OD2-CB 3.36Å; D425-S436 PolarHBondContact OD2-N 2.93Å; D425-S436 PolarHBondContact OD2-OG 2.64Å; S436-P438 VanDerWaalsContact C-CD 3.44Å; S436-P438 VanDerWaalsContact O-CD 3.31Å; S436-P438 WeakPolarHBondContact O-CD 3.33Å
437	H	97.3	Very high	93.9	Very high	42 Å²	42	45.3 Å²	45.3	19%	0.194	26%	0.255	C	S	.	.	S	Bend	trans	-120	75.2	175.8	-58.9	93.9	0	0	0	110.6	W423 D425 A426 N427 T435 V439	W423-H437 HydrophobicContact CB-CB 4.38Å; W423-H437 AromaticContact CD1-NE2 3.9Å; W423-H437 AromaticContact CD2-CD2 3.71Å; W423-H437 HydrophobicContact CE3-CB 4.38Å; W423-H437 AromaticContact CG-CD2 3.8Å; W423-H437 AromaticContact CG-NE2 3.97Å; D425-H437 IonicContact OD1-CE1 3.45Å; D425-H437 PolarHBondContact OD1-CE1 3.42Å; D425-H437 IonicContact OD1-CG 3.81Å; D425-H437 IonicContact OD1-ND1 2.71Å; D425-H437 PolarHBondContact OD1-ND1 3.37Å; D425-H437 IonicContact OD2-ND1 3.34Å; D425-H437 PolarHBondContact OD2-ND1 3.38Å; A426-H437 WeakPolarHBondContact CA-O 3.49Å; A426-H437 HydrophobicContact CB-CB 3.92Å; N427-H437 PolarHBondContact N-O 3.25Å; T435-H437 VanDerWaalsContact C-N 3.29Å; T435-H437 PolarHBondContact OG1-N 3.46Å; T435-H437 PolarHBondContact OG1-O 3.31Å; H437-V439 VanDerWaalsContact C-N 3.33Å; H437-V439 PolarHBondContact O-N 3.12Å
438	P	97	Very high	93.2	Very high	32 Å²	32	50.9 Å²	50.9	21%	0.208	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	86	178.7	31	-35.2	0	0	0	110.1	T429 T435 S436 V440 V441 N492 W495	T429-P438 HydrophobicContact CG2-CB 3.85Å; T435-P438 HydrophobicContact CG2-CB 3.91Å; S436-P438 VanDerWaalsContact C-CD 3.44Å; S436-P438 VanDerWaalsContact O-CD 3.31Å; S436-P438 WeakPolarHBondContact O-CD 3.33Å; P438-V440 VanDerWaalsContact C-N 3.34Å; P438-V441 HydrophobicContact CB-CG1 4.01Å; P438-N492 VanDerWaalsContact O-CB 3.3Å; P438-N492 WeakPolarHBondContact O-CB 3.49Å; P438-N492 PolarHBondContact O-ND2 3.13Å; P438-W495 PolarHBondContact O-NE1 3.33Å
439	V	97.5	Very high	92.5	Very high	1 Å²	1	55 Å²	55	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-20.5	-177.3	-65.7	0	0	0	0	112.9	V413 V414 W423 A426 N427 H437 N492 W495	V413-V439 HydrophobicContact CG1-CB 4.31Å; V413-V439 HydrophobicContact CG1-CG2 4.49Å; V414-V439 HydrophobicContact CG2-CG2 3.75Å; W423-V439 HydrophobicContact CE3-CG1 4.29Å; W423-V439 HydrophobicContact CZ3-CG1 4.35Å; A426-V439 HydrophobicContact CB-CG1 4.08Å; A426-V439 HydrophobicContact CB-CG2 4.3Å; N427-V439 PolarHBondContact O-N 3.09Å; N427-V439 VanDerWaalsContact O-N 3.16Å; H437-V439 VanDerWaalsContact C-N 3.33Å; H437-V439 PolarHBondContact O-N 3.12Å; V439-N492 PolarHBondContact O-N 3.25Å; V439-W495 HydrophobicContact CG1-CG 4.36Å
440	V	97.6	Very high	91.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.5	172.3	174.5	0	0	0	0	108.3	Q410 V414 S428 T429 P438 F489 E490	Q410-V440 HydrophobicContact CB-CG1 4.4Å; Q410-V440 HydrophobicContact CB-CG2 4.1Å; Q410-V440 HydrophobicContact CG-CG1 4.24Å; Q410-V440 HydrophobicContact CG-CG2 4.47Å; V414-V440 HydrophobicContact CG2-CG2 4.47Å; S428-V440 WeakPolarHBondContact CA-O 3.26Å; T429-V440 PolarHBondContact N-O 3.4Å; P438-V440 VanDerWaalsContact C-N 3.34Å; V440-F489 HydrophobicContact CG1-CB 3.8Å; V440-E490 CarbonylContact C-O 3.51Å; V440-E490 VanDerWaalsContact CA-O 3.26Å; V440-E490 WeakPolarHBondContact CA-O 3.43Å
441	V	97.1	Very high	90.9	Very high	28 Å²	28	65.7 Å²	65.7	17%	0.17	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	153	-171.4	-66.7	0	0	0	0	111.7	T429 P438 M443 F489 E490 N492	T429-V441 HydrophobicContact CG2-CG1 4Å; T429-V441 WeakPolarHBondContact OG1-CA 3.33Å; P438-V441 HydrophobicContact CB-CG1 4.01Å; V441-M443 HydrophobicContact CG2-CE 4.38Å; V441-M443 PolarHBondContact O-N 3.28Å; V441-F489 WeakPolarHBondContact O-CA 3.5Å; V441-E490 PolarHBondContact N-O 3.07Å; V441-E490 PolarHBondContact O-N 3Å; V441-N492 HydrophobicContact CG1-CB 3.99Å; V441-N492 HydrophobicContact CG2-CB 3.9Å
442	D	95.2	Very high	90.5	Very high	66 Å²	66	66.5 Å²	66.5	35%	0.353	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	121.2	171.9	-166.5	15.5	0	0	0	109	T429 R488 F489	T429-D442 PolarHBondContact OG1-N 3.04Å; D442-R488 IonicContact OD1-NE 3.43Å; D442-R488 IonicContact OD1-NH2 2.82Å; D442-R488 IonicContact OD2-CZ 3.36Å; D442-R488 IonicContact OD2-NH2 3.11Å; D442-R488 PolarHBondContact OD2-NH2 2.9Å; D442-F489 HydrophobicContact CB-CD1 3.99Å; D442-F489 HydrophobicContact CB-CE1 3.68Å; D442-F489 HydrophobicContact CB-CZ 4.43Å
443	M	93.6	Very high	89.9	Confident	44 Å²	44	66.1 Å²	66.1	22%	0.217	41%	0.409	C	S	.	.			trans	-135.8	67.3	-178.9	-167.4	-175.7	-67.2	0	0	110.2	V441 R488 E490 P493 R515	V441-M443 HydrophobicContact CG2-CE 4.38Å; V441-M443 PolarHBondContact O-N 3.28Å; M443-R488 PolarHBondContact N-O 2.74Å; M443-R488 VanDerWaalsContact N-O 3.11Å; M443-E490 HydrophobicContact CB-CB 4Å; M443-E490 HydrophobicContact CB-CG 3.84Å; M443-E490 HydrophobicContact CE-CB 4.38Å; M443-E490 HydrophobicContact SD-CB 4.31Å; M443-E490 HydrophobicContact SD-CG 4.28Å; M443-P493 HydrophobicContact CE-CG 4.07Å; M443-R515 PolarHBondContact O-NH2 3.1Å; M443-R515 HydrophobicContact SD-CG 4.06Å
444	P	90.9	Very high	89.5	Confident	29 Å²	29	62.4 Å²	62.4	19%	0.188	39%	0.385	C	S	.	.			trans	-67	154.4	-174.2	29.3	-35.5	0	0	0	112	H446 T454	P444-H446 PolarHBondContact O-ND1 2.88Å; P444-T454 WeakPolarHBondContact CB-O 3.4Å
445	E	87.8	Confident	89.3	Confident	12 Å²	12	59 Å²	59	6%	0.056	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-80.3	142.5	174	-69.9	-177.3	163.7	0	0	111	N447 T454 R456 R460	E445-N447 PolarHBondContact OE2-ND2 3.28Å; E445-T454 PolarHBondContact N-O 3.07Å; E445-T454 PolarHBondContact O-N 3.3Å; E445-T454 PolarHBondContact O-OG1 3.19Å; E445-R456 HydrophobicContact CG-CB 4.2Å; E445-R456 VanDerWaalsContact OE1-CG 3.32Å; E445-R456 WeakPolarHBondContact OE1-CG 3.03Å; E445-R456 IonicContact OE1-CZ 3.29Å; E445-R456 IonicContact OE1-NH1 2.85Å; E445-R456 PolarHBondContact OE1-NH1 3.01Å; E445-R460 IonicContact OE1-CZ 2.79Å; E445-R460 IonicContact OE1-NE 3.8Å; E445-R460 IonicContact OE1-NH2 3.95Å; E445-R460 PolarHBondContact OE1-NH2 3Å; E445-R460 IonicContact OE2-CZ 2.71Å; E445-R460 IonicContact OE2-NE 3.84Å; E445-R460 IonicContact OE2-NH2 3.19Å; E445-R460 PolarHBondContact OE2-NH2 2.98Å
446	H	86.8	Confident	89.2	Confident	141 Å²	141	58.8 Å²	58.8	65%	0.653	36%	0.358	S	S	*	.			trans	-114.2	85.6	175.5	-65.5	87.1	0	0	0	108.7	P444	P444-H446 PolarHBondContact O-ND1 2.88Å
447	N	82.1	Confident	89.1	Confident	48 Å²	48	56.7 Å²	56.7	26%	0.257	34%	0.34	S	S	.	.			trans	-85.7	131.7	-175.7	-67.9	-60	0	0	0	110.8	E445 G449 Q450 T454	E445-N447 PolarHBondContact OE2-ND2 3.28Å; N447-G449 PolarHBondContact O-N 3.47Å; N447-Q450 PolarHBondContact O-N 3.45Å; N447-T454 PolarHBondContact ND2-OG1 3.33Å
448	P	81.8	Confident	89	Confident	134 Å²	134	54.8 Å²	54.8	87%	0.87	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	126.9	176.9	-26.8	34.6	0	0	0	112.2
449	G	80.8	Confident	89	Confident	88 Å²	88	56.7 Å²	56.7	91%	0.907	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	-7.3	-178.2	0	0	0	0	0	115.2	N447	N447-G449 PolarHBondContact O-N 3.47Å
450	Q	79.8	Confident	89	Confident	115 Å²	115	60.3 Å²	60.3	54%	0.537	35%	0.35	S	S	.	.			trans	-108.9	134	169.1	-63.6	-177.4	-2.2	0	0	109.5	N447 T454	N447-Q450 PolarHBondContact O-N 3.45Å; Q450-T454 HydrophobicContact CB-CG2 3.85Å
451	M	75.1	Confident	88.9	Confident	195 Å²	195	65.3 Å²	65.3	96%	0.961	37%	0.369	S	S	*	.			trans	-92.8	136.2	176.9	-67	-167.2	-66	0	0	110.3
452	G	85.3	Confident	89	Confident	50 Å²	50	64 Å²	64	52%	0.515	36%	0.361	S	S	.	.	S	Bend	trans	88.5	-176.8	-179.8	0	0	0	0	0	113.8
453	G	81.4	Confident	89.1	Confident	38 Å²	38	63.4 Å²	63.4	39%	0.392	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-81.4	119.1	177.3	0	0	0	0	0	111.3
454	T	86.3	Confident	89.3	Confident	24 Å²	24	62.4 Å²	62.4	15%	0.147	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-99.4	152.6	-177.8	61.4	0	0	0	0	110.9	P444 E445 N447 Q450	P444-T454 WeakPolarHBondContact CB-O 3.4Å; E445-T454 PolarHBondContact N-O 3.07Å; E445-T454 PolarHBondContact O-N 3.3Å; E445-T454 PolarHBondContact O-OG1 3.19Å; N447-T454 PolarHBondContact ND2-OG1 3.33Å; Q450-T454 HydrophobicContact CB-CG2 3.85Å
455	M	90.3	Very high	89.6	Confident	56 Å²	56	65.6 Å²	65.6	28%	0.276	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-66.8	141.1	174.9	-170.9	179.2	-66.8	0	0	109.7	L457 R486 H487 R488	M455-L457 PolarHBondContact O-N 2.68Å; M455-L457 VanDerWaalsContact O-N 3.16Å; M455-L457 HydrophobicContact SD-CD1 4.36Å; M455-R486 HydrophobicContact SD-CG 3.77Å; M455-H487 WeakPolarHBondContact CG-O 3.36Å; M455-R488 HydrophobicContact CB-CG 4.19Å; M455-R488 HydrophobicContact CE-CG 4.22Å; M455-R488 HydrophobicContact CG-CG 3.9Å
456	R	93.7	Very high	89.9	Confident	10 Å²	10	67.7 Å²	67.7	4%	0.038	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	107.9	168.3	179.4	163	179.4	94.9	-16.6	108.2	E445 H485 R486 H487 E517	E445-R456 HydrophobicContact CG-CB 4.2Å; E445-R456 VanDerWaalsContact OE1-CG 3.32Å; E445-R456 WeakPolarHBondContact OE1-CG 3.03Å; E445-R456 IonicContact OE1-CZ 3.29Å; E445-R456 IonicContact OE1-NH1 2.85Å; E445-R456 PolarHBondContact OE1-NH1 3.01Å; R456-H485 HydrophobicContact CG-CB 3.97Å; R456-H485 CarbonylContact O-C 3.51Å; R456-R486 WeakPolarHBondContact O-CA 3.32Å; R456-R486 PolarHBondContact O-N 3.43Å; R456-H487 PolarHBondContact N-O 2.99Å; R456-H487 PolarHBondContact O-N 3.32Å; R456-E517 IonicContact CZ-OE1 3.13Å; R456-E517 IonicContact NE-OE1 2.67Å; R456-E517 PolarHBondContact NE-OE1 2.94Å; R456-E517 IonicContact NH2-OE1 3.12Å; R456-E517 PolarHBondContact NH2-OE1 3.38Å
457	L	94.1	Very high	90.1	Very high	38 Å²	38	68.9 Å²	68.9	20%	0.199	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.5	-165.6	-166.4	64.7	0	0	0	111.6	V67 G71 E73 M455 H485 R486	V67-L457 HydrophobicContact CG1-CD1 4.11Å; G71-L457 WeakPolarHBondContact O-CD2 3.39Å; G71-L457 WeakPolarHBondContact O-CG 3.45Å; E73-L457 HydrophobicContact CG-CD1 4.09Å; E73-L457 HydrophobicContact CG-CD2 4.1Å; M455-L457 PolarHBondContact O-N 2.68Å; M455-L457 VanDerWaalsContact O-N 3.16Å; M455-L457 HydrophobicContact SD-CD1 4.36Å; L457-H485 CarbonylContact C-O 3.12Å; L457-H485 VanDerWaalsContact CA-O 3.31Å; L457-H485 WeakPolarHBondContact CA-O 3.42Å; L457-R486 HydrophobicContact CD1-CB 3.95Å; L457-R486 HydrophobicContact CD1-CG 3.77Å
458	G	95.5	Very high	90.7	Very high	1 Å²	1	72.7 Å²	72.7	1%	0.01	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82.7	-166.3	176.5	0	0	0	0	0	113.7	L68 R460 R484 H485	L68-G458 WeakPolarHBondContact O-CA 3.44Å; G458-R460 PolarHBondContact O-N 2.98Å; G458-R484 WeakPolarHBondContact O-CA 3.42Å; G458-H485 PolarHBondContact N-O 3.1Å; G458-H485 PolarHBondContact O-N 2.99Å
459	K	96.3	Very high	91.3	Very high	73 Å²	73	66.3 Å²	66.3	32%	0.317	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	124.6	-175.4	-172.7	171.4	68.9	-172.4	0	110.9	D69 E482 E483	D69-K459 HydrophobicContact CB-CB 4.17Å; D69-K459 WeakPolarHBondContact O-CB 3.19Å; D69-K459 PolarHBondContact O-N 3.34Å; D69-K459 WeakPolarHBondContact OD2-CD 3.43Å; D69-K459 WeakPolarHBondContact OD2-CE 3.36Å; D69-K459 IonicContact OD2-NZ 3.91Å; D69-K459 PolarHBondContact OD2-NZ 3.43Å; K459-E482 HydrophobicContact CD-CB 3.9Å; K459-E482 HydrophobicContact CG-CB 3.92Å; K459-E482 IonicContact NZ-OE2 3.45Å; K459-E483 CarbonylContact C-O 3.55Å; K459-E483 VanDerWaalsContact CA-O 3.32Å; K459-E483 WeakPolarHBondContact CA-O 3.48Å
460	R	96.4	Very high	92	Very high	76 Å²	76	63.9 Å²	63.9	29%	0.287	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155.4	175.3	-57.8	-65.8	-173.8	172.9	2	110.1	E445 G458 E482 E483	E445-R460 IonicContact OE1-CZ 2.79Å; E445-R460 IonicContact OE1-NE 3.8Å; E445-R460 IonicContact OE1-NH2 3.95Å; E445-R460 PolarHBondContact OE1-NH2 3Å; E445-R460 IonicContact OE2-CZ 2.71Å; E445-R460 IonicContact OE2-NE 3.84Å; E445-R460 IonicContact OE2-NH2 3.19Å; E445-R460 PolarHBondContact OE2-NH2 2.98Å; G458-R460 PolarHBondContact O-N 2.98Å; R460-E482 WeakPolarHBondContact O-CA 3.35Å; R460-E483 PolarHBondContact N-O 3.21Å; R460-E483 PolarHBondContact O-N 3.13Å
461	R	97.5	Very high	92.8	Very high	105 Å²	105	58.4 Å²	58.4	40%	0.396	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.3	177.8	-176.2	172.5	-65.1	177.1	-1	110.1	L463 Y480 L481 E482 V511	R461-L463 HydrophobicContact CG-CD2 4.07Å; R461-Y480 HydrophobicContact CG-CD2 3.76Å; R461-Y480 HydrophobicContact CG-CG 4.11Å; R461-L481 WeakPolarHBondContact CA-O 3.35Å; R461-E482 HydrophobicContact CB-CG 4.47Å; R461-E482 IonicContact CZ-OE1 2.68Å; R461-E482 IonicContact NE-OE1 2.95Å; R461-E482 PolarHBondContact NE-OE1 3.2Å; R461-E482 IonicContact NH2-OE1 3.9Å; R461-E482 PolarHBondContact NH2-OE1 3.18Å; R461-V511 HydrophobicContact CB-CG2 4.02Å; R461-V511 HydrophobicContact CG-CG2 4.28Å
462	T	97.9	Very high	93.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.1	173.6	-58.7	0	0	0	0	109.2	Y480 L481 Q509 E517 I518	T462-Y480 CarbonylContact O-C 3.56Å; T462-Y480 WeakPolarHBondContact O-CA 3.35Å; T462-Y480 WeakPolarHBondContact O-CB 3.48Å; T462-L481 HydrophobicContact CG2-CD1 4.48Å; T462-L481 PolarHBondContact N-O 3.3Å; T462-L481 PolarHBondContact O-N 3.44Å; T462-Q509 CarbonylContact C-O 3.52Å; T462-Q509 VanDerWaalsContact CA-O 3.3Å; T462-Q509 WeakPolarHBondContact CA-O 3.44Å; T462-Q509 WeakPolarHBondContact CG2-O 3.45Å; T462-E517 HydrophobicContact CG2-CB 3.57Å; T462-E517 HydrophobicContact CG2-CG 4.03Å; T462-I518 HydrophobicContact CG2-CD1 4.12Å; T462-I518 HydrophobicContact CG2-CG1 4.29Å
463	L	98.3	Very high	94.3	Very high	55 Å²	55	51.4 Å²	51.4	29%	0.288	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.1	-179.8	-54.2	-177.5	0	0	0	110.5	R461 Q465 Y480 G508 Q509	R461-L463 HydrophobicContact CG-CD2 4.07Å; L463-Q465 PolarHBondContact O-NE2 3.49Å; L463-Y480 HydrophobicContact CD2-CG 4.48Å; L463-G508 WeakPolarHBondContact O-CA 3.28Å; L463-Q509 PolarHBondContact N-O 3.42Å; L463-Q509 PolarHBondContact O-N 3.4Å
464	F	97.8	Very high	95	Very high	23 Å²	23	49.7 Å²	49.7	10%	0.101	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.2	172.8	-75.1	-73.1	0	0	0	111	M471 R472 Y475 A478 D479 L481 V507 I518	F464-M471 HydrophobicContact CE1-CB 4Å; F464-M471 HydrophobicContact CZ-CB 4.37Å; F464-R472 HydrophobicContact CB-CG 4.49Å; F464-R472 HydrophobicContact CD1-CB 3.84Å; F464-R472 HydrophobicContact CD1-CG 4.4Å; F464-R472 HydrophobicContact CD2-CB 4.25Å; F464-R472 HydrophobicContact CD2-CG 4.05Å; F464-R472 HydrophobicContact CE1-CB 3.87Å; F464-R472 HydrophobicContact CE2-CB 4.27Å; F464-R472 HydrophobicContact CE2-CG 4.34Å; F464-R472 HydrophobicContact CG-CB 4.03Å; F464-R472 HydrophobicContact CG-CG 4.07Å; F464-R472 HydrophobicContact CZ-CB 4.08Å; F464-Y475 HydrophobicContact CZ-CD2 4.05Å; F464-A478 VanDerWaalsContact CD2-O 3.27Å; F464-A478 WeakPolarHBondContact CD2-O 3.41Å; F464-D479 PolarHBondContact N-O 3.11Å; F464-L481 HydrophobicContact CE1-CD2 4.4Å; F464-L481 HydrophobicContact CE2-CB 4.5Å; F464-L481 HydrophobicContact CE2-CD2 3.85Å; F464-L481 HydrophobicContact CE2-CG 4.43Å; F464-L481 HydrophobicContact CZ-CD2 3.56Å; F464-V507 CarbonylContact C-O 3.55Å; F464-V507 WeakPolarHBondContact CA-O 3.27Å; F464-I518 HydrophobicContact CE1-CD1 3.8Å; F464-I518 HydrophobicContact CZ-CD1 4.22Å
465	Q	95.6	Very high	95.3	Very high	95 Å²	95	50.3 Å²	50.3	44%	0.444	23%	0.233	S	C	.	.			trans	-96.5	-19	-174	-59.2	-66.8	-48.8	0	0	112.6	L463 V507 Q509	L463-Q465 PolarHBondContact O-NE2 3.49Å; Q465-V507 PolarHBondContact N-O 3Å; Q465-Q509 HydrophobicContact CG-CB 4.22Å; Q465-Q509 HydrophobicContact CG-CG 3.88Å; Q465-Q509 VanDerWaalsContact CG-NE2 3.35Å
466	T	94.2	Very high	95.4	Very high	57 Å²	57	49.8 Å²	49.8	35%	0.35	24%	0.243	S	C	.	.			trans	-138.9	148.2	-177.7	179.9	0	0	0	0	111.2	N468 R472 V507	T466-N468 VanDerWaalsContact C-N 3.33Å; T466-N468 PolarHBondContact OG1-N 2.93Å; T466-N468 VanDerWaalsContact OG1-N 3.12Å; T466-R472 WeakPolarHBondContact O-CD 3.29Å; T466-V507 HydrophobicContact CG2-CB 3.91Å; T466-V507 HydrophobicContact CG2-CG1 3.68Å
467	K	92.2	Very high	95.4	Very high	166 Å²	166	53.5 Å²	53.5	72%	0.722	26%	0.263	S	S	*	.	S	Bend	trans	-76.7	-24.6	171.5	-61.6	-172.9	178.9	-178.4	0	112.1	S469	K467-S469 VanDerWaalsContact C-N 3.33Å; K467-S469 PolarHBondContact O-N 3.05Å
468	N	93.3	Very high	95.3	Very high	127 Å²	127	53.1 Å²	53.1	68%	0.679	27%	0.265	S	S	*	.			trans	-89.1	72.7	178.2	-169.6	33.2	0	0	0	110	T466	T466-N468 VanDerWaalsContact C-N 3.33Å; T466-N468 PolarHBondContact OG1-N 2.93Å; T466-N468 VanDerWaalsContact OG1-N 3.12Å
469	S	95.8	Very high	95.3	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.007	29%	0.291	C	S	.	.			trans	-135.7	135.1	176.1	157.7	0	0	0	0	109.5	K467 M471 R472 K473 E520	K467-S469 VanDerWaalsContact C-N 3.33Å; K467-S469 PolarHBondContact O-N 3.05Å; S469-M471 VanDerWaalsContact C-N 3.31Å; S469-M471 PolarHBondContact OG-N 3.41Å; S469-M471 VanDerWaalsContact OG-N 3.16Å; S469-R472 PolarHBondContact OG-N 3.49Å; S469-K473 WeakPolarHBondContact O-CG 3.32Å; S469-K473 PolarHBondContact O-N 3Å; S469-E520 WeakPolarHBondContact CA-OE2 3.41Å; S469-E520 WeakPolarHBondContact CB-OE1 3.5Å; S469-E520 PolarHBondContact OG-OE1 3.18Å
470	V	96	Very high	95.3	Very high	36 Å²	36	56.3 Å²	56.3	22%	0.218	28%	0.283	C	S	.	.	H	α-helix	trans	-66.2	-41.6	172.7	173.3	0	0	0	0	109.4	K473 L474 E520 F526 L558 L562	V470-K473 PolarHBondContact O-N 3.43Å; V470-L474 HydrophobicContact CG1-CD1 3.92Å; V470-L474 HydrophobicContact CG1-CG 4.36Å; V470-L474 WeakPolarHBondContact O-CG 3.36Å; V470-L474 PolarHBondContact O-N 2.94Å; V470-E520 PolarHBondContact N-OE1 2.93Å; V470-E520 VanDerWaalsContact N-OE1 3.13Å; V470-E520 PolarHBondContact N-OE2 3.39Å; V470-E520 VanDerWaalsContact N-OE2 3.08Å; V470-F526 HydrophobicContact CG1-CD2 4.16Å; V470-F526 HydrophobicContact CG1-CE2 4.13Å; V470-L558 HydrophobicContact CG1-CD2 4.16Å; V470-L562 HydrophobicContact CG1-CD1 4.34Å
471	M	96.6	Very high	95.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-46.1	178.2	-68.4	-48.6	-53.1	0	0	112.2	F464 S469 K473 L474 Y475 I518 E520 V528 P546	F464-M471 HydrophobicContact CE1-CB 4Å; F464-M471 HydrophobicContact CZ-CB 4.37Å; S469-M471 VanDerWaalsContact C-N 3.31Å; S469-M471 PolarHBondContact OG-N 3.41Å; S469-M471 VanDerWaalsContact OG-N 3.16Å; M471-K473 VanDerWaalsContact C-N 3.28Å; M471-K473 PolarHBondContact O-N 3.29Å; M471-L474 PolarHBondContact O-N 2.95Å; M471-L474 VanDerWaalsContact O-N 3.09Å; M471-L474 HydrophobicContact SD-CD1 4.05Å; M471-Y475 HydrophobicContact CE-CD2 3.98Å; M471-Y475 HydrophobicContact CE-CE2 3.5Å; M471-Y475 VanDerWaalsContact O-CD2 3.32Å; M471-Y475 WeakPolarHBondContact O-CD2 3.36Å; M471-Y475 PolarHBondContact O-N 3.24Å; M471-I518 HydrophobicContact CB-CG2 4.37Å; M471-I518 HydrophobicContact CG-CG2 3.98Å; M471-E520 WeakPolarHBondContact CB-OE1 3.3Å; M471-E520 WeakPolarHBondContact CG-OE1 3.46Å; M471-E520 PolarHBondContact N-OE1 2.93Å; M471-V528 HydrophobicContact CG-CG1 3.72Å; M471-V528 HydrophobicContact CG-CG2 4.18Å; M471-V528 HydrophobicContact SD-CB 4.4Å; M471-V528 HydrophobicContact SD-CG1 3.7Å; M471-V528 HydrophobicContact SD-CG2 4.01Å; M471-P546 HydrophobicContact CE-CB 3.86Å; M471-P546 HydrophobicContact CE-CG 3.5Å; M471-P546 VanDerWaalsContact CE-CG 3.5Å
472	R	96.3	Very high	95.3	Very high	28 Å²	28	51 Å²	51	11%	0.106	27%	0.266	C	S	.	.	H	α-helix	trans	-56.1	-43.3	177.1	-174.8	169.5	-174.3	-101	4.5	112.2	F464 T466 S469 Y475 G476 D477 A478 D479	F464-R472 HydrophobicContact CB-CG 4.49Å; F464-R472 HydrophobicContact CD1-CB 3.84Å; F464-R472 HydrophobicContact CD1-CG 4.4Å; F464-R472 HydrophobicContact CD2-CB 4.25Å; F464-R472 HydrophobicContact CD2-CG 4.05Å; F464-R472 HydrophobicContact CE1-CB 3.87Å; F464-R472 HydrophobicContact CE2-CB 4.27Å; F464-R472 HydrophobicContact CE2-CG 4.34Å; F464-R472 HydrophobicContact CG-CB 4.03Å; F464-R472 HydrophobicContact CG-CG 4.07Å; F464-R472 HydrophobicContact CZ-CB 4.08Å; T466-R472 WeakPolarHBondContact O-CD 3.29Å; S469-R472 PolarHBondContact OG-N 3.49Å; R472-Y475 CarbonylContact O-C 3.58Å; R472-Y475 PolarHBondContact O-N 3.34Å; R472-G476 PolarHBondContact O-N 2.96Å; R472-D477 IonicContact NH1-OD1 3.48Å; R472-D477 PolarHBondContact NH2-O 3.13Å; R472-D477 WeakPolarHBondContact O-CA 3.38Å; R472-D477 PolarHBondContact O-N 3.49Å; R472-A478 PolarHBondContact NE-O 2.94Å; R472-D479 IonicContact CZ-OD1 3.56Å; R472-D479 IonicContact NH2-OD1 3.42Å; R472-D479 PolarHBondContact NH2-OD1 3.38Å
473	K	95.3	Very high	95.3	Very high	70 Å²	70	51.2 Å²	51.2	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-41.3	176.8	-68.2	175.1	-178.1	173.6	0	112.3	S469 V470 M471 Y475 G476 L562 C566	S469-K473 WeakPolarHBondContact O-CG 3.32Å; S469-K473 PolarHBondContact O-N 3Å; V470-K473 PolarHBondContact O-N 3.43Å; M471-K473 VanDerWaalsContact C-N 3.28Å; M471-K473 PolarHBondContact O-N 3.29Å; K473-Y475 VanDerWaalsContact C-N 3.27Å; K473-Y475 PolarHBondContact O-N 3.19Å; K473-G476 PolarHBondContact O-N 2.88Å; K473-L562 HydrophobicContact CB-CD2 3.72Å; K473-L562 HydrophobicContact CD-CD2 4.13Å; K473-C566 PolarHBondContact O-SG 3.16Å
474	L	95	Very high	95.2	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-32.3	177.3	-69.7	171.3	0	0	0	112.1	V470 M471 G476 F526 P545 L558 Y561 L562	V470-L474 HydrophobicContact CG1-CD1 3.92Å; V470-L474 HydrophobicContact CG1-CG 4.36Å; V470-L474 WeakPolarHBondContact O-CG 3.36Å; V470-L474 PolarHBondContact O-N 2.94Å; M471-L474 PolarHBondContact O-N 2.95Å; M471-L474 VanDerWaalsContact O-N 3.09Å; M471-L474 HydrophobicContact SD-CD1 4.05Å; L474-G476 PolarHBondContact O-N 2.97Å; L474-F526 HydrophobicContact CD1-CE2 4.23Å; L474-P545 HydrophobicContact CB-CB 4.01Å; L474-L558 HydrophobicContact CD2-CD1 4.25Å; L474-Y561 HydrophobicContact CD2-CD1 4.3Å; L474-Y561 HydrophobicContact CD2-CE1 3.96Å; L474-L562 HydrophobicContact CD2-CD2 4.39Å
475	Y	94.3	Very high	95.2	Very high	37 Å²	37	47.5 Å²	47.5	15%	0.145	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	10.5	171.3	-79.3	-82.6	0	0	0	113.7	F464 M471 R472 K473 L481 E483 Y532 P545 P546	F464-Y475 HydrophobicContact CZ-CD2 4.05Å; M471-Y475 HydrophobicContact CE-CD2 3.98Å; M471-Y475 HydrophobicContact CE-CE2 3.5Å; M471-Y475 VanDerWaalsContact O-CD2 3.32Å; M471-Y475 WeakPolarHBondContact O-CD2 3.36Å; M471-Y475 PolarHBondContact O-N 3.24Å; R472-Y475 CarbonylContact O-C 3.58Å; R472-Y475 PolarHBondContact O-N 3.34Å; K473-Y475 VanDerWaalsContact C-N 3.27Å; K473-Y475 PolarHBondContact O-N 3.19Å; Y475-L481 HydrophobicContact CD1-CB 4.21Å; Y475-L481 HydrophobicContact CD1-CD2 4.5Å; Y475-L481 HydrophobicContact CD2-CD2 3.9Å; Y475-L481 HydrophobicContact CE1-CB 4.23Å; Y475-L481 HydrophobicContact CE1-CD2 4.3Å; Y475-L481 HydrophobicContact CE2-CD2 3.68Å; Y475-L481 HydrophobicContact CG-CD2 4.33Å; Y475-E483 PolarHBondContact OH-OE1 3.12Å; Y475-Y532 PolarHBondContact OH-OH 3.45Å; Y475-P545 HydrophobicContact CD1-CB 4.3Å; Y475-P545 HydrophobicContact CD1-CG 3.83Å; Y475-P545 HydrophobicContact CD2-CB 4.04Å; Y475-P545 HydrophobicContact CD2-CG 4.45Å; Y475-P545 HydrophobicContact CE1-CB 4.16Å; Y475-P545 HydrophobicContact CE1-CG 3.64Å; Y475-P545 HydrophobicContact CE2-CB 3.87Å; Y475-P545 HydrophobicContact CE2-CG 4.27Å; Y475-P545 HydrophobicContact CG-CB 4.24Å; Y475-P545 HydrophobicContact CG-CG 4.24Å; Y475-P546 HydrophobicContact CE2-CG 4.36Å
476	G	92.4	Very high	95.2	Very high	46 Å²	46	44.6 Å²	44.6	47%	0.474	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	31.9	174	0	0	0	0	0	114.9	R472 K473 L474 A478	R472-G476 PolarHBondContact O-N 2.96Å; K473-G476 PolarHBondContact O-N 2.88Å; L474-G476 PolarHBondContact O-N 2.97Å; G476-A478 PolarHBondContact O-N 2.99Å
477	D	93.2	Very high	95.2	Very high	87 Å²	87	42 Å²	42	47%	0.465	22%	0.218	S	C	.	.	S	Bend	trans	62.4	21.9	-179.8	-70.5	-51	0	0	0	115.1	R472	R472-D477 IonicContact NH1-OD1 3.48Å; R472-D477 PolarHBondContact NH2-O 3.13Å; R472-D477 WeakPolarHBondContact O-CA 3.38Å; R472-D477 PolarHBondContact O-N 3.49Å
478	A	91.8	Very high	95.2	Very high	30 Å²	30	38.9 Å²	38.9	25%	0.248	20%	0.201	C	C	.	.			trans	-61.1	150	172.6	0	0	0	0	0	112	F464 R472 G476 Y480	F464-A478 VanDerWaalsContact CD2-O 3.27Å; F464-A478 WeakPolarHBondContact CD2-O 3.41Å; R472-A478 PolarHBondContact NE-O 2.94Å; G476-A478 PolarHBondContact O-N 2.99Å; A478-Y480 VanDerWaalsContact C-N 3.35Å; A478-Y480 WeakPolarHBondContact CB-O 3.26Å
479	D	94.6	Very high	95.4	Very high	101 Å²	101	34.3 Å²	34.3	54%	0.54	18%	0.175	S	C	.	.	S	Bend	trans	-80.4	-21.7	176.5	-66.6	-32.3	0	0	0	112.4	F464 R472	F464-D479 PolarHBondContact N-O 3.11Å; R472-D479 IonicContact CZ-OD1 3.56Å; R472-D479 IonicContact NH2-OD1 3.42Å; R472-D479 PolarHBondContact NH2-OD1 3.38Å
480	Y	97.1	Very high	95.4	Very high	41 Å²	41	34.3 Å²	34.3	16%	0.161	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	163.5	175.2	69.1	-88.9	0	0	0	111.4	R461 T462 L463 A478 E482 I595	R461-Y480 HydrophobicContact CG-CD2 3.76Å; R461-Y480 HydrophobicContact CG-CG 4.11Å; T462-Y480 CarbonylContact O-C 3.56Å; T462-Y480 WeakPolarHBondContact O-CA 3.35Å; T462-Y480 WeakPolarHBondContact O-CB 3.48Å; L463-Y480 HydrophobicContact CD2-CG 4.48Å; A478-Y480 VanDerWaalsContact C-N 3.35Å; A478-Y480 WeakPolarHBondContact CB-O 3.26Å; Y480-E482 HydrophobicContact CD2-CG 4.14Å; Y480-E482 HydrophobicContact CE2-CG 4.08Å; Y480-I595 HydrophobicContact CD2-CD1 4.43Å; Y480-I595 HydrophobicContact CE2-CD1 3.8Å; Y480-I595 WeakPolarHBondContact OH-CG2 3.45Å
481	L	96.3	Very high	95.5	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	161.7	169.7	62.8	82.5	0	0	0	110.1	R461 T462 F464 Y475 E483 I518 Y532	R461-L481 WeakPolarHBondContact CA-O 3.35Å; T462-L481 HydrophobicContact CG2-CD1 4.48Å; T462-L481 PolarHBondContact N-O 3.3Å; T462-L481 PolarHBondContact O-N 3.44Å; F464-L481 HydrophobicContact CE1-CD2 4.4Å; F464-L481 HydrophobicContact CE2-CB 4.5Å; F464-L481 HydrophobicContact CE2-CD2 3.85Å; F464-L481 HydrophobicContact CE2-CG 4.43Å; F464-L481 HydrophobicContact CZ-CD2 3.56Å; Y475-L481 HydrophobicContact CD1-CB 4.21Å; Y475-L481 HydrophobicContact CD1-CD2 4.5Å; Y475-L481 HydrophobicContact CD2-CD2 3.9Å; Y475-L481 HydrophobicContact CE1-CB 4.23Å; Y475-L481 HydrophobicContact CE1-CD2 4.3Å; Y475-L481 HydrophobicContact CE2-CD2 3.68Å; Y475-L481 HydrophobicContact CG-CD2 4.33Å; L481-E483 HydrophobicContact CD1-CB 4.04Å; L481-E483 HydrophobicContact CD1-CG 3.6Å; L481-I518 HydrophobicContact CD2-CD1 3.69Å; L481-Y532 HydrophobicContact CD1-CD1 4.32Å; L481-Y532 HydrophobicContact CD1-CE1 3.9Å; L481-Y532 HydrophobicContact CD2-CE1 4.32Å
482	E	97	Very high	95.5	Very high	64 Å²	64	33.8 Å²	33.8	30%	0.299	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	114.9	174.2	-60.8	-171.8	158.5	0	0	109.4	K459 R460 R461 Y480 L537	K459-E482 HydrophobicContact CD-CB 3.9Å; K459-E482 HydrophobicContact CG-CB 3.92Å; K459-E482 IonicContact NZ-OE2 3.45Å; R460-E482 WeakPolarHBondContact O-CA 3.35Å; R461-E482 HydrophobicContact CB-CG 4.47Å; R461-E482 IonicContact CZ-OE1 2.68Å; R461-E482 IonicContact NE-OE1 2.95Å; R461-E482 PolarHBondContact NE-OE1 3.2Å; R461-E482 IonicContact NH2-OE1 3.9Å; R461-E482 PolarHBondContact NH2-OE1 3.18Å; Y480-E482 HydrophobicContact CD2-CG 4.14Å; Y480-E482 HydrophobicContact CE2-CG 4.08Å; E482-L537 WeakPolarHBondContact O-CD1 3.47Å
483	E	97.8	Very high	95.4	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.028	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	166.6	-175.6	-73.1	-76.9	-178.3	0	0	110.1	K459 R460 Y475 L481 H485 Y532 L537	K459-E483 CarbonylContact C-O 3.55Å; K459-E483 VanDerWaalsContact CA-O 3.32Å; K459-E483 WeakPolarHBondContact CA-O 3.48Å; R460-E483 PolarHBondContact N-O 3.21Å; R460-E483 PolarHBondContact O-N 3.13Å; Y475-E483 PolarHBondContact OH-OE1 3.12Å; L481-E483 HydrophobicContact CD1-CB 4.04Å; L481-E483 HydrophobicContact CD1-CG 3.6Å; E483-H485 PolarHBondContact O-CD2 3.02Å; E483-Y532 HydrophobicContact CB-CD1 4.07Å; E483-Y532 HydrophobicContact CB-CD2 3.5Å; E483-Y532 HydrophobicContact CB-CE2 4.15Å; E483-Y532 HydrophobicContact CB-CG 3.47Å; E483-Y532 VanDerWaalsContact CB-CG 3.47Å; E483-Y532 HydrophobicContact CG-CD1 4.42Å; E483-Y532 HydrophobicContact CG-CD2 3.56Å; E483-Y532 HydrophobicContact CG-CE2 3.69Å; E483-Y532 HydrophobicContact CG-CG 3.96Å; E483-L537 WeakPolarHBondContact OE2-CD1 3.33Å
484	R	97.7	Very high	95.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.4	-175.8	-62.6	-176	-176.1	158.6	0.7	111.2	F66 V67 D69 E82 G458 Y532 H533 F536 L537	F66-R484 VanDerWaalsContact CE1-NH1 3.32Å; V67-R484 HydrophobicContact CG1-CB 4.33Å; V67-R484 WeakPolarHBondContact O-CD 3.27Å; V67-R484 PolarHBondContact O-NE 3.41Å; V67-R484 PolarHBondContact O-NH1 3.41Å; D69-R484 IonicContact OD1-CZ 3.66Å; D69-R484 IonicContact OD1-NE 2.63Å; D69-R484 PolarHBondContact OD1-NE 3.17Å; D69-R484 IonicContact OD1-NH2 2.86Å; D69-R484 PolarHBondContact OD1-NH2 3.19Å; E82-R484 VanDerWaalsContact CD-NH2 3.34Å; E82-R484 IonicContact OE1-CZ 3.87Å; E82-R484 IonicContact OE1-NH1 3.11Å; E82-R484 IonicContact OE1-NH2 3.21Å; E82-R484 PolarHBondContact OE1-NH2 3.36Å; E82-R484 IonicContact OE2-CZ 3.27Å; E82-R484 VanDerWaalsContact OE2-CZ 3.26Å; E82-R484 IonicContact OE2-NH1 3.19Å; E82-R484 PolarHBondContact OE2-NH1 2.93Å; E82-R484 IonicContact OE2-NH2 2.96Å; E82-R484 PolarHBondContact OE2-NH2 3.37Å; G458-R484 WeakPolarHBondContact O-CA 3.42Å; R484-Y532 WeakPolarHBondContact O-CB 3.4Å; R484-H533 PolarHBondContact O-N 3.08Å; R484-F536 HydrophobicContact CB-CD2 4.08Å; R484-L537 HydrophobicContact CG-CD2 4.45Å
485	H	97.1	Very high	95.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	152.2	179.2	-63	-107.4	0	0	0	110.8	R456 L457 G458 E483 H487 E517	R456-H485 HydrophobicContact CG-CB 3.97Å; R456-H485 CarbonylContact O-C 3.51Å; L457-H485 CarbonylContact C-O 3.12Å; L457-H485 VanDerWaalsContact CA-O 3.31Å; L457-H485 WeakPolarHBondContact CA-O 3.42Å; G458-H485 PolarHBondContact N-O 3.1Å; G458-H485 PolarHBondContact O-N 2.99Å; E483-H485 PolarHBondContact O-CD2 3.02Å; H485-H487 AromaticContact ND1-NE2 3.41Å; H485-H487 PolarHBondContact ND1-NE2 3.12Å; H485-E517 IonicContact CE1-OE1 3.69Å; H485-E517 IonicContact CE1-OE2 3.49Å; H485-E517 PolarHBondContact CE1-OE2 3.16Å; H485-E517 IonicContact ND1-OE2 3.23Å
486	R	95.1	Very high	95.4	Very high	34 Å²	34	39.4 Å²	39.4	13%	0.128	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	77.5	171.7	-174.1	-176.4	-174	-99.9	-6.3	109.8	G55 V67 E73 F380 M455 R456 L457	G55-R486 PolarHBondContact O-NH2 3.37Å; V67-R486 HydrophobicContact CG2-CB 3.92Å; V67-R486 HydrophobicContact CG2-CG 4.19Å; E73-R486 IonicContact OE1-CZ 2.87Å; E73-R486 IonicContact OE1-NE 2.76Å; E73-R486 PolarHBondContact OE1-NE 3.4Å; E73-R486 IonicContact OE1-NH2 2.99Å; E73-R486 PolarHBondContact OE1-NH2 3.44Å; F380-R486 VanDerWaalsContact CE2-NH1 3.28Å; M455-R486 HydrophobicContact SD-CG 3.77Å; R456-R486 WeakPolarHBondContact O-CA 3.32Å; R456-R486 PolarHBondContact O-N 3.43Å; L457-R486 HydrophobicContact CD1-CB 3.95Å; L457-R486 HydrophobicContact CD1-CG 3.77Å
487	H	94.3	Very high	95.5	Very high	3 Å²	3	44 Å²	44	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	173.7	179.5	60.3	67.1	0	0	0	112	M455 R456 H485 E490 Q531	M455-H487 WeakPolarHBondContact CG-O 3.36Å; R456-H487 PolarHBondContact N-O 2.99Å; R456-H487 PolarHBondContact O-N 3.32Å; H485-H487 AromaticContact ND1-NE2 3.41Å; H485-H487 PolarHBondContact ND1-NE2 3.12Å; H487-E490 IonicContact CE1-OE1 3.67Å; H487-E490 PolarHBondContact CE1-OE1 3.28Å; H487-E490 IonicContact ND1-OE1 3.6Å; H487-Q531 PolarHBondContact CD2-O 2.97Å; H487-Q531 VanDerWaalsContact CD2-O 3.27Å
488	R	93.3	Very high	95.7	Very high	100 Å²	100	41.7 Å²	41.7	38%	0.377	21%	0.207	S	C	.	.	S	Bend	trans	-124	-25.9	179.9	-67.7	-175.9	57.1	167	-4.2	113.9	D442 M443 M455	D442-R488 IonicContact OD1-NE 3.43Å; D442-R488 IonicContact OD1-NH2 2.82Å; D442-R488 IonicContact OD2-CZ 3.36Å; D442-R488 IonicContact OD2-NH2 3.11Å; D442-R488 PolarHBondContact OD2-NH2 2.9Å; M443-R488 PolarHBondContact N-O 2.74Å; M443-R488 VanDerWaalsContact N-O 3.11Å; M455-R488 HydrophobicContact CB-CG 4.19Å; M455-R488 HydrophobicContact CE-CG 4.22Å; M455-R488 HydrophobicContact CG-CG 3.9Å
489	F	95.9	Very high	95.9	Very high	31 Å²	31	40.3 Å²	40.3	14%	0.136	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	139.1	-170.9	-66.5	-85.3	0	0	0	110.8	Q410 E430 V440 V441 D442 Q531	Q410-F489 PolarHBondContact NE2-O 2.91Å; Q410-F489 VanDerWaalsContact NE2-O 3.12Å; E430-F489 HydrophobicContact CB-CD1 4.14Å; E430-F489 HydrophobicContact CB-CD2 4.13Å; E430-F489 HydrophobicContact CB-CE1 3.7Å; E430-F489 HydrophobicContact CB-CE2 3.69Å; E430-F489 HydrophobicContact CB-CG 4.36Å; E430-F489 HydrophobicContact CB-CZ 3.47Å; E430-F489 VanDerWaalsContact CB-CZ 3.47Å; E430-F489 HydrophobicContact CG-CD2 4.27Å; E430-F489 HydrophobicContact CG-CE1 4.42Å; E430-F489 HydrophobicContact CG-CE2 3.58Å; E430-F489 HydrophobicContact CG-CZ 3.68Å; V440-F489 HydrophobicContact CG1-CB 3.8Å; V441-F489 WeakPolarHBondContact O-CA 3.5Å; D442-F489 HydrophobicContact CB-CD1 3.99Å; D442-F489 HydrophobicContact CB-CE1 3.68Å; D442-F489 HydrophobicContact CB-CZ 4.43Å; F489-Q531 PolarHBondContact O-NE2 3.24Å
490	E	97.1	Very high	96	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.6	-177.6	-64.1	-67.6	-173.2	0	0	111.4	V440 V441 M443 H487 N492 R515 Q531	V440-E490 CarbonylContact C-O 3.51Å; V440-E490 VanDerWaalsContact CA-O 3.26Å; V440-E490 WeakPolarHBondContact CA-O 3.43Å; V441-E490 PolarHBondContact N-O 3.07Å; V441-E490 PolarHBondContact O-N 3Å; M443-E490 HydrophobicContact CB-CB 4Å; M443-E490 HydrophobicContact CB-CG 3.84Å; M443-E490 HydrophobicContact CE-CB 4.38Å; M443-E490 HydrophobicContact SD-CB 4.31Å; M443-E490 HydrophobicContact SD-CG 4.28Å; H487-E490 IonicContact CE1-OE1 3.67Å; H487-E490 PolarHBondContact CE1-OE1 3.28Å; H487-E490 IonicContact ND1-OE1 3.6Å; E490-N492 PolarHBondContact O-N 2.87Å; E490-R515 HydrophobicContact CG-CG 4.01Å; E490-R515 WeakPolarHBondContact OE1-CD 3.5Å; E490-R515 IonicContact OE1-NE 3.93Å; E490-R515 PolarHBondContact OE1-NE 3.38Å; E490-Q531 PolarHBondContact OE2-NE2 3.44Å
491	V	97.1	Very high	96	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	128.6	168.2	178.7	0	0	0	0	108.4	M409 V413 P493 F506 M516	M409-V491 HydrophobicContact CE-CG2 4.1Å; V413-V491 HydrophobicContact CG1-CG1 4.28Å; V413-V491 HydrophobicContact CG2-CG2 3.94Å; V491-P493 VanDerWaalsContact O-CD 3.24Å; V491-P493 WeakPolarHBondContact O-CD 3.32Å; V491-F506 HydrophobicContact CG1-CE1 4.2Å; V491-F506 HydrophobicContact CG1-CZ 3.87Å; V491-F506 HydrophobicContact CG2-CE1 4.3Å; V491-M516 HydrophobicContact CB-CB 4.46Å
492	N	96.8	Very high	96	Very high	24 Å²	24	46.8 Å²	46.8	13%	0.128	22%	0.223	C	C	.	.			trans	-67.5	116.6	-179.4	-178.3	-9.9	0	0	0	110.2	P438 V439 V441 E490 V494 W495	P438-N492 VanDerWaalsContact O-CB 3.3Å; P438-N492 WeakPolarHBondContact O-CB 3.49Å; P438-N492 PolarHBondContact O-ND2 3.13Å; V439-N492 PolarHBondContact O-N 3.25Å; V441-N492 HydrophobicContact CG1-CB 3.99Å; V441-N492 HydrophobicContact CG2-CB 3.9Å; E490-N492 PolarHBondContact O-N 2.87Å; N492-V494 PolarHBondContact O-N 3.04Å; N492-V494 WeakPolarHBondContact OD1-CB 3.33Å; N492-V494 WeakPolarHBondContact OD1-CG2 3.45Å; N492-V494 PolarHBondContact OD1-N 3.39Å; N492-W495 PolarHBondContact O-N 2.95Å; N492-W495 VanDerWaalsContact O-N 3.09Å
493	P	94.6	Very high	96	Very high	50 Å²	50	44 Å²	44	33%	0.325	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-60.3	-23.9	-174	-26.6	37.3	0	0	0	113.9	M443 V491 W495 K496 E514	M443-P493 HydrophobicContact CE-CG 4.07Å; V491-P493 VanDerWaalsContact O-CD 3.24Å; V491-P493 WeakPolarHBondContact O-CD 3.32Å; P493-W495 PolarHBondContact O-N 2.72Å; P493-K496 VanDerWaalsContact O-CB 3.24Å; P493-K496 WeakPolarHBondContact O-CB 3.34Å; P493-K496 PolarHBondContact O-N 3.08Å; P493-E514 WeakPolarHBondContact CG-O 3.45Å
494	V	95.8	Very high	96	Very high	105 Å²	105	43.7 Å²	43.7	64%	0.636	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-57.3	-36.2	177.5	176.5	0	0	0	0	111.7	N492	N492-V494 PolarHBondContact O-N 3.04Å; N492-V494 WeakPolarHBondContact OD1-CB 3.33Å; N492-V494 WeakPolarHBondContact OD1-CG2 3.45Å; N492-V494 PolarHBondContact OD1-N 3.39Å
495	W	94.8	Very high	96	Very high	56 Å²	56	46.9 Å²	46.9	21%	0.212	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-92.5	-4.7	-175.8	-56.3	119.6	0	0	0	114	W423 P438 V439 N492 P493 K497 C498 L499	W423-W495 HydrophobicContact CH2-CD2 4.15Å; W423-W495 AromaticContact CH2-CE3 3.47Å; W423-W495 HydrophobicContact CH2-CE3 3.47Å; W423-W495 VanDerWaalsContact CH2-CE3 3.47Å; W423-W495 AromaticContact CH2-CZ3 3.87Å; W423-W495 HydrophobicContact CH2-CZ3 3.87Å; W423-W495 HydrophobicContact CZ2-CE3 4.35Å; W423-W495 HydrophobicContact CZ2-CZ3 4.34Å; W423-W495 HydrophobicContact CZ3-CB 4.42Å; W423-W495 HydrophobicContact CZ3-CD2 4.03Å; W423-W495 AromaticContact CZ3-CE3 3.82Å; W423-W495 HydrophobicContact CZ3-CE3 3.82Å; W423-W495 HydrophobicContact CZ3-CG 4.31Å; W423-W495 HydrophobicContact CZ3-CZ3 4.4Å; P438-W495 PolarHBondContact O-NE1 3.33Å; V439-W495 HydrophobicContact CG1-CG 4.36Å; N492-W495 PolarHBondContact O-N 2.95Å; N492-W495 VanDerWaalsContact O-N 3.09Å; P493-W495 PolarHBondContact O-N 2.72Å; W495-K497 VanDerWaalsContact C-N 3.33Å; W495-K497 PolarHBondContact O-N 3.31Å; W495-C498 PolarHBondContact O-N 2.98Å; W495-L499 HydrophobicContact CB-CD1 4.5Å; W495-L499 WeakPolarHBondContact O-CG 3.24Å; W495-L499 PolarHBondContact O-N 3.06Å
496	K	94.3	Very high	96	Very high	44 Å²	44	47.1 Å²	47.1	19%	0.191	23%	0.225	C	C	.	.	H	α-helix	trans	-49.2	-52.7	-177.7	-179.4	-168.1	-178	172.8	0	112.2	P493 C498 L499 E500 F506 M516	P493-K496 VanDerWaalsContact O-CB 3.24Å; P493-K496 WeakPolarHBondContact O-CB 3.34Å; P493-K496 PolarHBondContact O-N 3.08Å; K496-C498 VanDerWaalsContact C-N 3.34Å; K496-C498 PolarHBondContact O-N 3.43Å; K496-L499 PolarHBondContact O-N 2.87Å; K496-E500 WeakPolarHBondContact CE-OE1 3.03Å; K496-E500 HydrophobicContact CG-CG 4.37Å; K496-E500 WeakPolarHBondContact O-CG 3.14Å; K496-E500 PolarHBondContact O-N 2.71Å; K496-F506 HydrophobicContact CB-CE2 4.48Å; K496-F506 HydrophobicContact CG-CD2 3.69Å; K496-F506 HydrophobicContact CG-CE2 4.04Å; K496-M516 HydrophobicContact CD-CE 3.72Å; K496-M516 HydrophobicContact CD-SD 3.74Å; K496-M516 VanDerWaalsContact CE-SD 3.53Å; K496-M516 HydrophobicContact CG-SD 4.2Å
497	K	95.3	Very high	96.1	Very high	142 Å²	142	45.7 Å²	45.7	62%	0.617	22%	0.22	S	C	*	.	H	α-helix	trans	-60.6	-43.5	-174.7	-170.3	-178.8	179.1	-168	0	111.9	W495 L499 E500 E501	W495-K497 VanDerWaalsContact C-N 3.33Å; W495-K497 PolarHBondContact O-N 3.31Å; K497-L499 VanDerWaalsContact C-N 3.3Å; K497-L499 PolarHBondContact O-N 3.5Å; K497-E500 PolarHBondContact O-N 3.18Å; K497-E501 WeakPolarHBondContact CE-OE1 3.03Å; K497-E501 IonicContact NZ-OE1 3.01Å; K497-E501 WeakPolarHBondContact O-CB 3.25Å; K497-E501 VanDerWaalsContact O-CG 3.32Å; K497-E501 WeakPolarHBondContact O-CG 3.38Å; K497-E501 PolarHBondContact O-N 2.95Å
498	C	96.2	Very high	96.3	Very high	40 Å²	40	45.5 Å²	45.5	27%	0.27	22%	0.219	S	C	.	.	H	α-helix	trans	-62.8	-37.2	179.1	-60.5	0	0	0	0	112.3	L421 W423 W495 K496	L421-C498 HydrophobicContact CD1-CB 4.45Å; W423-C498 HydrophobicContact CH2-CB 3.79Å; W423-C498 HydrophobicContact CZ2-CB 4.4Å; W495-C498 PolarHBondContact O-N 2.98Å; K496-C498 VanDerWaalsContact C-N 3.34Å; K496-C498 PolarHBondContact O-N 3.43Å
499	L	96.6	Very high	96.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-71	-45.2	177.7	-66	164.9	0	0	0	111.4	V413 F416 L421 W495 K496 K497 E501 Q502 G503 L504 F506	V413-L499 HydrophobicContact CG1-CD1 3.74Å; V413-L499 HydrophobicContact CG1-CD2 4.44Å; F416-L499 HydrophobicContact CD1-CD2 3.8Å; F416-L499 HydrophobicContact CE1-CD2 4.36Å; L421-L499 HydrophobicContact CD1-CD2 3.66Å; L421-L499 HydrophobicContact CD1-CG 4.32Å; W495-L499 HydrophobicContact CB-CD1 4.5Å; W495-L499 WeakPolarHBondContact O-CG 3.24Å; W495-L499 PolarHBondContact O-N 3.06Å; K496-L499 PolarHBondContact O-N 2.87Å; K497-L499 VanDerWaalsContact C-N 3.3Å; K497-L499 PolarHBondContact O-N 3.5Å; L499-E501 VanDerWaalsContact C-N 3.34Å; L499-E501 PolarHBondContact O-N 3.36Å; L499-Q502 PolarHBondContact O-N 2.95Å; L499-G503 PolarHBondContact O-N 2.88Å; L499-L504 CarbonylContact C-O 3.58Å; L499-L504 HydrophobicContact CD2-CD2 4.21Å; L499-L504 PolarHBondContact O-N 3.05Å; L499-F506 HydrophobicContact CB-CE2 3.99Å; L499-F506 HydrophobicContact CB-CZ 4.49Å; L499-F506 HydrophobicContact CD1-CE2 3.92Å; L499-F506 HydrophobicContact CD1-CZ 3.78Å
500	E	96.3	Very high	96.5	Very high	50 Å²	50	40.1 Å²	40.1	23%	0.234	20%	0.199	C	C	.	.	H	α-helix	trans	-64.4	-37.1	179.8	-70.2	-177.4	153.3	0	0	112.3	K496 K497 Q502 G503 L504 K505 F506	K496-E500 WeakPolarHBondContact CE-OE1 3.03Å; K496-E500 HydrophobicContact CG-CG 4.37Å; K496-E500 WeakPolarHBondContact O-CG 3.14Å; K496-E500 PolarHBondContact O-N 2.71Å; K497-E500 PolarHBondContact O-N 3.18Å; E500-Q502 PolarHBondContact O-N 3.22Å; E500-G503 PolarHBondContact O-N 3.04Å; E500-G503 VanDerWaalsContact O-N 3.11Å; E500-L504 WeakPolarHBondContact CA-O 3.21Å; E500-L504 PolarHBondContact N-O 3.24Å; E500-K505 HydrophobicContact CB-CD 4.28Å; E500-K505 HydrophobicContact CG-CD 4.49Å; E500-K505 WeakPolarHBondContact O-CE 3.48Å; E500-K505 PolarHBondContact O-NZ 3.32Å; E500-F506 HydrophobicContact CG-CD2 3.8Å; E500-F506 HydrophobicContact CG-CE2 4.41Å
501	E	96.8	Very high	96.4	Very high	125 Å²	125	44.1 Å²	44.1	58%	0.584	22%	0.223	S	C	*	.	H	α-helix	trans	-62.6	-26.6	177.2	-77.7	174.3	177.8	0	0	113.1	K497 L499	K497-E501 WeakPolarHBondContact CE-OE1 3.03Å; K497-E501 IonicContact NZ-OE1 3.01Å; K497-E501 WeakPolarHBondContact O-CB 3.25Å; K497-E501 VanDerWaalsContact O-CG 3.32Å; K497-E501 WeakPolarHBondContact O-CG 3.38Å; K497-E501 PolarHBondContact O-N 2.95Å; L499-E501 VanDerWaalsContact C-N 3.34Å; L499-E501 PolarHBondContact O-N 3.36Å
502	Q	96.9	Very high	96.2	Very high	107 Å²	107	50.1 Å²	50.1	50%	0.5	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	5.6	176.4	-63.8	-57.8	-51	0	0	113.8	F416 V420 L421 L499 E500	F416-Q502 HydrophobicContact CE1-CB 3.81Å; F416-Q502 HydrophobicContact CZ-CB 3.81Å; V420-Q502 HydrophobicContact CG1-CB 4.16Å; L421-Q502 HydrophobicContact CD2-CB 4.45Å; L421-Q502 HydrophobicContact CD2-CG 3.48Å; L421-Q502 VanDerWaalsContact CD2-CG 3.48Å; L421-Q502 HydrophobicContact CG-CG 4.43Å; L499-Q502 PolarHBondContact O-N 2.95Å; E500-Q502 PolarHBondContact O-N 3.22Å
503	G	96.2	Very high	95.9	Very high	5 Å²	5	50.5 Å²	50.5	5%	0.052	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	100	0.5	172.7	0	0	0	0	0	115.7	L499 E500 K505 E522	L499-G503 PolarHBondContact O-N 2.88Å; E500-G503 PolarHBondContact O-N 3.04Å; E500-G503 VanDerWaalsContact O-N 3.11Å; G503-K505 PolarHBondContact O-N 3.25Å; G503-E522 WeakPolarHBondContact CA-OE2 3.42Å; G503-E522 PolarHBondContact O-N 3.12Å
504	L	97.6	Very high	95.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	95	170.9	-170.5	72	0	0	0	109.3	V413 F416 L499 E500 V519 L521 F527	V413-L504 HydrophobicContact CG2-CD2 4.23Å; F416-L504 HydrophobicContact CB-CD2 3.98Å; F416-L504 HydrophobicContact CD1-CB 3.96Å; F416-L504 HydrophobicContact CD1-CD2 3.89Å; F416-L504 HydrophobicContact CD1-CG 4.48Å; F416-L504 HydrophobicContact CD2-CB 4.31Å; F416-L504 HydrophobicContact CD2-CD1 4.44Å; F416-L504 HydrophobicContact CD2-CD2 4.47Å; F416-L504 HydrophobicContact CE1-CB 3.73Å; F416-L504 HydrophobicContact CE2-CB 4.1Å; F416-L504 HydrophobicContact CG-CB 4.24Å; F416-L504 HydrophobicContact CG-CD2 3.86Å; F416-L504 HydrophobicContact CG-CG 4.45Å; F416-L504 HydrophobicContact CZ-CB 3.8Å; L499-L504 CarbonylContact C-O 3.58Å; L499-L504 HydrophobicContact CD2-CD2 4.21Å; L499-L504 PolarHBondContact O-N 3.05Å; E500-L504 WeakPolarHBondContact CA-O 3.21Å; E500-L504 PolarHBondContact N-O 3.24Å; L504-V519 HydrophobicContact CD1-CG2 3.39Å; L504-V519 HydrophobicContact CD2-CG2 3.99Å; L504-V519 HydrophobicContact CG-CG2 3.37Å; L504-L521 HydrophobicContact CB-CD1 4.43Å; L504-L521 HydrophobicContact CD1-CB 4.24Å; L504-L521 HydrophobicContact CD1-CD1 4.13Å; L504-F527 HydrophobicContact CD1-CE1 4.42Å
505	K	97.8	Very high	95.8	Very high	67 Å²	67	49.4 Å²	49.4	29%	0.291	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.1	-170.2	-58.6	-58	-173.9	-173.6	0	112.5	E500 G503 V507 V519 E520 E522	E500-K505 HydrophobicContact CB-CD 4.28Å; E500-K505 HydrophobicContact CG-CD 4.49Å; E500-K505 WeakPolarHBondContact O-CE 3.48Å; E500-K505 PolarHBondContact O-NZ 3.32Å; G503-K505 PolarHBondContact O-N 3.25Å; K505-V507 HydrophobicContact CB-CG1 4.2Å; K505-V507 PolarHBondContact O-N 3.23Å; K505-V519 CarbonylContact O-C 3.49Å; K505-V519 WeakPolarHBondContact O-CA 3.03Å; K505-V519 WeakPolarHBondContact O-CG2 3.32Å; K505-E520 PolarHBondContact N-O 2.79Å; K505-E520 PolarHBondContact O-N 2.75Å; K505-E522 WeakPolarHBondContact CE-OE1 3.27Å; K505-E522 WeakPolarHBondContact CE-OE2 3.43Å; K505-E522 HydrophobicContact CG-CG 4.03Å; K505-E522 IonicContact NZ-OE1 2.72Å; K505-E522 IonicContact NZ-OE2 3.82Å
506	F	97.7	Very high	95.9	Very high	5 Å²	5	46.9 Å²	46.9	2%	0.022	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	97.9	171.4	-63.3	-76.2	0	0	0	110.5	M409 V413 V491 K496 L499 E500 M516 I518 V519	M409-F506 HydrophobicContact CE-CD1 4.3Å; M409-F506 HydrophobicContact CE-CE1 4.1Å; V413-F506 HydrophobicContact CG2-CE1 4.38Å; V413-F506 HydrophobicContact CG2-CZ 4.4Å; V491-F506 HydrophobicContact CG1-CE1 4.2Å; V491-F506 HydrophobicContact CG1-CZ 3.87Å; V491-F506 HydrophobicContact CG2-CE1 4.3Å; K496-F506 HydrophobicContact CB-CE2 4.48Å; K496-F506 HydrophobicContact CG-CD2 3.69Å; K496-F506 HydrophobicContact CG-CE2 4.04Å; L499-F506 HydrophobicContact CB-CE2 3.99Å; L499-F506 HydrophobicContact CB-CZ 4.49Å; L499-F506 HydrophobicContact CD1-CE2 3.92Å; L499-F506 HydrophobicContact CD1-CZ 3.78Å; E500-F506 HydrophobicContact CG-CD2 3.8Å; E500-F506 HydrophobicContact CG-CE2 4.41Å; F506-M516 HydrophobicContact CB-CB 4.28Å; F506-M516 HydrophobicContact CB-CG 4.23Å; F506-M516 HydrophobicContact CB-SD 3.74Å; F506-M516 HydrophobicContact CD1-CB 3.38Å; F506-M516 HydrophobicContact CD1-CG 3.8Å; F506-M516 HydrophobicContact CD1-SD 4.44Å; F506-M516 HydrophobicContact CD2-CG 4.33Å; F506-M516 HydrophobicContact CD2-SD 4.43Å; F506-M516 HydrophobicContact CE1-CB 3.81Å; F506-M516 HydrophobicContact CE1-CG 4.16Å; F506-M516 HydrophobicContact CG-CB 3.91Å; F506-M516 HydrophobicContact CG-CG 3.85Å; F506-M516 HydrophobicContact CG-SD 3.96Å; F506-I518 CarbonylContact C-O 3.58Å; F506-I518 WeakPolarHBondContact CA-O 3.42Å; F506-V519 HydrophobicContact CD1-CB 4.15Å; F506-V519 HydrophobicContact CD1-CG2 4.2Å; F506-V519 HydrophobicContact CE1-CB 4.23Å; F506-V519 HydrophobicContact CE1-CG2 4.13Å
507	V	97.5	Very high	96.1	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-13.2	-172.3	-57.5	0	0	0	0	113.5	F464 Q465 T466 K505 I518 E520	F464-V507 CarbonylContact C-O 3.55Å; F464-V507 WeakPolarHBondContact CA-O 3.27Å; Q465-V507 PolarHBondContact N-O 3Å; T466-V507 HydrophobicContact CG2-CB 3.91Å; T466-V507 HydrophobicContact CG2-CG1 3.68Å; K505-V507 HydrophobicContact CB-CG1 4.2Å; K505-V507 PolarHBondContact O-N 3.23Å; V507-I518 HydrophobicContact CG2-CB 3.81Å; V507-I518 HydrophobicContact CG2-CG2 3.44Å; V507-I518 VanDerWaalsContact CG2-CG2 3.44Å; V507-I518 PolarHBondContact N-O 3.26Å; V507-E520 HydrophobicContact CG1-CB 4.13Å; V507-E520 HydrophobicContact CG1-CG 4.13Å; V507-E520 HydrophobicContact CG2-CG 3.8Å
508	G	97.2	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.9	177.7	0	0	0	0	0	111.6	L463 E517 I518	L463-G508 WeakPolarHBondContact O-CA 3.28Å; G508-E517 PolarHBondContact O-N 3.01Å; G508-I518 PolarHBondContact N-O 3.12Å; G508-I518 PolarHBondContact O-N 3Å
509	Q	97.1	Very high	96.3	Very high	16 Å²	16	36.1 Å²	36.1	8%	0.075	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	161.5	178	-70	170.5	36.2	0	0	110.8	T462 L463 Q465 R515 M516	T462-Q509 CarbonylContact C-O 3.52Å; T462-Q509 VanDerWaalsContact CA-O 3.3Å; T462-Q509 WeakPolarHBondContact CA-O 3.44Å; T462-Q509 WeakPolarHBondContact CG2-O 3.45Å; L463-Q509 PolarHBondContact N-O 3.42Å; L463-Q509 PolarHBondContact O-N 3.4Å; Q465-Q509 HydrophobicContact CG-CB 4.22Å; Q465-Q509 HydrophobicContact CG-CG 3.88Å; Q465-Q509 VanDerWaalsContact CG-NE2 3.35Å; Q509-R515 VanDerWaalsContact CA-O 3.23Å; Q509-R515 WeakPolarHBondContact CA-O 3.45Å; Q509-M516 HydrophobicContact CG-CE 4Å; Q509-M516 HydrophobicContact CG-SD 3.59Å; Q509-M516 VanDerWaalsContact CG-SD 3.59Å
510	D	96.2	Very high	96.4	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.011	19%	0.187	C	C	.	.			trans	-67.3	179.6	168.7	69.3	-9.7	0	0	0	112.3	E512 G513 E514 R515	D510-E512 VanDerWaalsContact C-N 3.29Å; D510-E512 PolarHBondContact O-N 2.96Å; D510-G513 PolarHBondContact O-N 3.44Å; D510-G513 WeakPolarHBondContact OD1-CA 3.19Å; D510-G513 PolarHBondContact OD1-N 3.43Å; D510-E514 PolarHBondContact OD1-N 3.23Å; D510-R515 HydrophobicContact CB-CB 4.2Å; D510-R515 PolarHBondContact N-O 3.33Å; D510-R515 VanDerWaalsContact N-O 3.1Å; D510-R515 PolarHBondContact OD1-N 3.49Å; D510-R515 WeakPolarHBondContact OD2-CB 3.36Å; D510-R515 WeakPolarHBondContact OD2-CD 3.32Å; D510-R515 WeakPolarHBondContact OD2-CG 3.43Å; D510-R515 IonicContact OD2-NH1 3.74Å
511	V	95.1	Very high	96.5	Very high	84 Å²	84	36 Å²	36	51%	0.509	18%	0.183	S	C	.	.	S	Bend	trans	-67.5	-35.2	-174.8	176.6	0	0	0	0	111.1	R461 G513	R461-V511 HydrophobicContact CB-CG2 4.02Å; R461-V511 HydrophobicContact CG-CG2 4.28Å; V511-G513 VanDerWaalsContact C-N 3.33Å
512	E	93.1	Very high	96.4	Very high	127 Å²	127	35 Å²	35	59%	0.593	18%	0.178	S	C	*	.	S	Bend	trans	-79.4	-17.2	179.8	-62.8	73.1	-161.5	0	0	112.5	D510 E514	D510-E512 VanDerWaalsContact C-N 3.29Å; D510-E512 PolarHBondContact O-N 2.96Å; E512-E514 VanDerWaalsContact C-N 3.25Å; E512-E514 HydrophobicContact CB-CG 4.05Å; E512-E514 PolarHBondContact O-N 3.23Å
513	G	92.1	Very high	96.2	Very high	31 Å²	31	36.9 Å²	36.9	32%	0.32	19%	0.191	S	C	.	.	S	Bend	trans	75.7	13.3	-177.7	0	0	0	0	0	113.7	D510 V511	D510-G513 PolarHBondContact O-N 3.44Å; D510-G513 WeakPolarHBondContact OD1-CA 3.19Å; D510-G513 PolarHBondContact OD1-N 3.43Å; V511-G513 VanDerWaalsContact C-N 3.33Å
514	E	91.9	Very high	96.3	Very high	111 Å²	111	37.7 Å²	37.7	52%	0.519	19%	0.194	S	C	.	.			trans	-85.4	-35.4	-178.8	-64.7	-173.4	161.5	0	0	111.1	P493 D510 E512	P493-E514 WeakPolarHBondContact CG-O 3.45Å; D510-E514 PolarHBondContact OD1-N 3.23Å; E512-E514 VanDerWaalsContact C-N 3.25Å; E512-E514 HydrophobicContact CB-CG 4.05Å; E512-E514 PolarHBondContact O-N 3.23Å
515	R	95.9	Very high	96.2	Very high	21 Å²	21	41.3 Å²	41.3	8%	0.079	22%	0.217	C	C	.	.	S	Bend	trans	-108.2	135.9	-174.4	-60.9	172.5	168.6	105.6	1.9	111.4	M443 E490 Q509 D510	M443-R515 PolarHBondContact O-NH2 3.1Å; M443-R515 HydrophobicContact SD-CG 4.06Å; E490-R515 HydrophobicContact CG-CG 4.01Å; E490-R515 WeakPolarHBondContact OE1-CD 3.5Å; E490-R515 IonicContact OE1-NE 3.93Å; E490-R515 PolarHBondContact OE1-NE 3.38Å; Q509-R515 VanDerWaalsContact CA-O 3.23Å; Q509-R515 WeakPolarHBondContact CA-O 3.45Å; D510-R515 HydrophobicContact CB-CB 4.2Å; D510-R515 PolarHBondContact N-O 3.33Å; D510-R515 VanDerWaalsContact N-O 3.1Å; D510-R515 PolarHBondContact OD1-N 3.49Å; D510-R515 WeakPolarHBondContact OD2-CB 3.36Å; D510-R515 WeakPolarHBondContact OD2-CD 3.32Å; D510-R515 WeakPolarHBondContact OD2-CG 3.43Å; D510-R515 IonicContact OD2-NH1 3.74Å
516	M	97	Very high	96.2	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.6	175.7	-52.5	-62.2	129.2	0	0	109.4	M409 V491 K496 F506 Q509	M409-M516 VanDerWaalsContact CE-O 3.31Å; M409-M516 WeakPolarHBondContact CE-O 3.49Å; V491-M516 HydrophobicContact CB-CB 4.46Å; K496-M516 HydrophobicContact CD-CE 3.72Å; K496-M516 HydrophobicContact CD-SD 3.74Å; K496-M516 VanDerWaalsContact CE-SD 3.53Å; K496-M516 HydrophobicContact CG-SD 4.2Å; F506-M516 HydrophobicContact CB-CB 4.28Å; F506-M516 HydrophobicContact CB-CG 4.23Å; F506-M516 HydrophobicContact CB-SD 3.74Å; F506-M516 HydrophobicContact CD1-CB 3.38Å; F506-M516 HydrophobicContact CD1-CG 3.8Å; F506-M516 HydrophobicContact CD1-SD 4.44Å; F506-M516 HydrophobicContact CD2-CG 4.33Å; F506-M516 HydrophobicContact CD2-SD 4.43Å; F506-M516 HydrophobicContact CE1-CB 3.81Å; F506-M516 HydrophobicContact CE1-CG 4.16Å; F506-M516 HydrophobicContact CG-CB 3.91Å; F506-M516 HydrophobicContact CG-CG 3.85Å; F506-M516 HydrophobicContact CG-SD 3.96Å; Q509-M516 HydrophobicContact CG-CE 4Å; Q509-M516 HydrophobicContact CG-SD 3.59Å; Q509-M516 VanDerWaalsContact CG-SD 3.59Å
517	E	97.3	Very high	96.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-24.5	-167.4	-62.1	-73.6	-169.1	0	0	113.1	R456 T462 H485 G508 V530 Q531	R456-E517 IonicContact CZ-OE1 3.13Å; R456-E517 IonicContact NE-OE1 2.67Å; R456-E517 PolarHBondContact NE-OE1 2.94Å; R456-E517 IonicContact NH2-OE1 3.12Å; R456-E517 PolarHBondContact NH2-OE1 3.38Å; T462-E517 HydrophobicContact CG2-CB 3.57Å; T462-E517 HydrophobicContact CG2-CG 4.03Å; H485-E517 IonicContact CE1-OE1 3.69Å; H485-E517 IonicContact CE1-OE2 3.49Å; H485-E517 PolarHBondContact CE1-OE2 3.16Å; H485-E517 IonicContact ND1-OE2 3.23Å; G508-E517 PolarHBondContact O-N 3.01Å; E517-V530 WeakPolarHBondContact O-CA 3.31Å; E517-Q531 PolarHBondContact O-N 3.21Å; E517-Q531 WeakPolarHBondContact OE2-CB 3.44Å
518	I	98.6	Very high	96.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	129.2	-179.1	-50	174.6	0	0	0	109.5	T462 F464 M471 L481 F506 V507 G508 V528 G529 V530 Y532	T462-I518 HydrophobicContact CG2-CD1 4.12Å; T462-I518 HydrophobicContact CG2-CG1 4.29Å; F464-I518 HydrophobicContact CE1-CD1 3.8Å; F464-I518 HydrophobicContact CZ-CD1 4.22Å; M471-I518 HydrophobicContact CB-CG2 4.37Å; M471-I518 HydrophobicContact CG-CG2 3.98Å; L481-I518 HydrophobicContact CD2-CD1 3.69Å; F506-I518 CarbonylContact C-O 3.58Å; F506-I518 WeakPolarHBondContact CA-O 3.42Å; V507-I518 HydrophobicContact CG2-CB 3.81Å; V507-I518 HydrophobicContact CG2-CG2 3.44Å; V507-I518 VanDerWaalsContact CG2-CG2 3.44Å; V507-I518 PolarHBondContact N-O 3.26Å; G508-I518 PolarHBondContact N-O 3.12Å; G508-I518 PolarHBondContact O-N 3Å; I518-V528 HydrophobicContact CG2-CG1 4.47Å; I518-G529 WeakPolarHBondContact CA-O 3.44Å; I518-V530 HydrophobicContact CG1-CG1 4.37Å; I518-V530 HydrophobicContact CG2-CG1 4.23Å; I518-Y532 HydrophobicContact CD1-CE1 3.96Å; I518-Y532 HydrophobicContact CG1-CE1 3.76Å
519	V	98.2	Very high	96.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.4	174.6	69.3	0	0	0	0	111.2	M409 L504 K505 F506 V528 G529	M409-V519 HydrophobicContact CE-CB 4.13Å; M409-V519 HydrophobicContact CE-CG1 4.23Å; M409-V519 HydrophobicContact CG-CG1 3.81Å; M409-V519 HydrophobicContact SD-CG1 4.3Å; L504-V519 HydrophobicContact CD1-CG2 3.39Å; L504-V519 HydrophobicContact CD2-CG2 3.99Å; L504-V519 HydrophobicContact CG-CG2 3.37Å; K505-V519 CarbonylContact O-C 3.49Å; K505-V519 WeakPolarHBondContact O-CA 3.03Å; K505-V519 WeakPolarHBondContact O-CG2 3.32Å; F506-V519 HydrophobicContact CD1-CB 4.15Å; F506-V519 HydrophobicContact CD1-CG2 4.2Å; F506-V519 HydrophobicContact CE1-CB 4.23Å; F506-V519 HydrophobicContact CE1-CG2 4.13Å; V519-V528 WeakPolarHBondContact O-CA 3.32Å; V519-G529 PolarHBondContact N-O 3.44Å; V519-G529 PolarHBondContact O-N 2.67Å
520	E	98.4	Very high	96.5	Very high	23 Å²	23	37.4 Å²	37.4	11%	0.107	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.8	172.8	-66.6	-175.3	-171.6	0	0	109.4	S469 V470 M471 K505 V507 F527 V528	S469-E520 WeakPolarHBondContact CA-OE2 3.41Å; S469-E520 WeakPolarHBondContact CB-OE1 3.5Å; S469-E520 PolarHBondContact OG-OE1 3.18Å; V470-E520 PolarHBondContact N-OE1 2.93Å; V470-E520 VanDerWaalsContact N-OE1 3.13Å; V470-E520 PolarHBondContact N-OE2 3.39Å; V470-E520 VanDerWaalsContact N-OE2 3.08Å; M471-E520 WeakPolarHBondContact CB-OE1 3.3Å; M471-E520 WeakPolarHBondContact CG-OE1 3.46Å; M471-E520 PolarHBondContact N-OE1 2.93Å; K505-E520 PolarHBondContact N-O 2.79Å; K505-E520 PolarHBondContact O-N 2.75Å; V507-E520 HydrophobicContact CG1-CB 4.13Å; V507-E520 HydrophobicContact CG1-CG 4.13Å; V507-E520 HydrophobicContact CG2-CG 3.8Å; E520-F527 WeakPolarHBondContact CA-O 3.47Å; E520-V528 HydrophobicContact CG-CG2 4.34Å
521	L	98.2	Very high	96.6	Very high	26 Å²	26	37.3 Å²	37.3	14%	0.136	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130	175.2	-177.6	64.4	0	0	0	111.1	R396 F416 L504 H524 F527	R396-L521 HydrophobicContact CG-CD2 3.59Å; F416-L521 HydrophobicContact CD2-CD1 4.17Å; F416-L521 HydrophobicContact CE2-CD1 3.53Å; F416-L521 HydrophobicContact CZ-CD1 4.3Å; L504-L521 HydrophobicContact CB-CD1 4.43Å; L504-L521 HydrophobicContact CD1-CB 4.24Å; L504-L521 HydrophobicContact CD1-CD1 4.13Å; L521-H524 HydrophobicContact CB-CB 4.41Å; L521-H524 HydrophobicContact CD2-CB 4.17Å; L521-H524 HydrophobicContact CG-CB 4.34Å; L521-F527 HydrophobicContact CB-CB 3.88Å; L521-F527 HydrophobicContact CB-CD1 3.63Å; L521-F527 HydrophobicContact CB-CE1 4.44Å; L521-F527 HydrophobicContact CB-CG 3.95Å; L521-F527 HydrophobicContact CD2-CB 4.46Å; L521-F527 HydrophobicContact CD2-CD1 4.25Å; L521-F527 HydrophobicContact CD2-CD2 4.46Å; L521-F527 HydrophobicContact CD2-CG 4.16Å; L521-F527 PolarHBondContact N-O 3.01Å
522	E	95.4	Very high	96.7	Very high	102 Å²	102	33.3 Å²	33.3	48%	0.477	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	152.4	172.1	-70.9	-178.3	159	0	0	112.2	G503 K505 H524	G503-E522 WeakPolarHBondContact CA-OE2 3.42Å; G503-E522 PolarHBondContact O-N 3.12Å; K505-E522 WeakPolarHBondContact CE-OE1 3.27Å; K505-E522 WeakPolarHBondContact CE-OE2 3.43Å; K505-E522 HydrophobicContact CG-CG 4.03Å; K505-E522 IonicContact NZ-OE1 2.72Å; K505-E522 IonicContact NZ-OE2 3.82Å; E522-H524 PolarHBondContact O-N 3.01Å; E522-H524 VanDerWaalsContact O-N 3.08Å
523	D	92.4	Very high	96.9	Very high	147 Å²	147	28 Å²	28	79%	0.786	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	19.4	178.2	-60.9	-33.4	0	0	0	116.9	K399	K399-D523 PolarHBondContact NZ-O 3.4Å
524	H	97.5	Very high	97.2	Very high	22 Å²	22	26.6 Å²	26.6	10%	0.102	14%	0.135	C	C	.	.	S	Bend	trans	-118.2	136.7	174.9	-167.2	-76.7	0	0	0	112	A395 K399 K400 L521 E522 F526 F527	A395-H524 PolarHBondContact O-NE2 3.49Å; K399-H524 VanDerWaalsContact CA-NE2 3.32Å; K399-H524 WeakPolarHBondContact CA-NE2 3.47Å; K400-H524 PolarHBondContact O-CE1 3.26Å; K400-H524 PolarHBondContact O-NE2 3.16Å; L521-H524 HydrophobicContact CB-CB 4.41Å; L521-H524 HydrophobicContact CD2-CB 4.17Å; L521-H524 HydrophobicContact CG-CB 4.34Å; E522-H524 PolarHBondContact O-N 3.01Å; E522-H524 VanDerWaalsContact O-N 3.08Å; H524-F526 VanDerWaalsContact C-N 3.34Å; H524-F526 PolarHBondContact CE1-O 3.28Å; H524-F526 PolarHBondContact ND1-N 3.04Å; H524-F526 VanDerWaalsContact ND1-N 3.19Å; H524-F526 PolarHBondContact ND1-O 3.41Å; H524-F526 PolarHBondContact O-N 3.4Å; H524-F527 HydrophobicContact CB-CB 4.07Å; H524-F527 WeakPolarHBondContact ND1-CB 3.36Å; H524-F527 PolarHBondContact ND1-N 3.22Å
525	P	95.4	Very high	97.4	Very high	76 Å²	76	21.4 Å²	21.4	49%	0.494	11%	0.111	S	C	.	.	S	Bend	trans	-55.4	-42.5	-177.2	-27.9	33.8	0	0	0	115.1	K399	K399-P525 HydrophobicContact CB-CG 4.36Å
526	F	98.4	Very high	97.4	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.018	11%	0.108	C	C	.	.	S	Bend	trans	-160.9	103	172.4	-173.8	-91.6	0	0	0	109.2	P401 F402 L403 V470 L474 H524 V528 L550 A553 L558	P401-F526 CarbonylContact C-O 3.59Å; P401-F526 VanDerWaalsContact CA-O 3.28Å; P401-F526 WeakPolarHBondContact CA-O 3.38Å; P401-F526 HydrophobicContact CB-CB 4.26Å; F402-F526 PolarHBondContact N-O 3.49Å; F402-F526 WeakPolarHBondContact O-CD1 3.37Å; F402-F526 WeakPolarHBondContact O-CE1 3.27Å; L403-F526 HydrophobicContact CB-CE1 4.44Å; V470-F526 HydrophobicContact CG1-CD2 4.16Å; V470-F526 HydrophobicContact CG1-CE2 4.13Å; L474-F526 HydrophobicContact CD1-CE2 4.23Å; H524-F526 VanDerWaalsContact C-N 3.34Å; H524-F526 PolarHBondContact CE1-O 3.28Å; H524-F526 PolarHBondContact ND1-N 3.04Å; H524-F526 VanDerWaalsContact ND1-N 3.19Å; H524-F526 PolarHBondContact ND1-O 3.41Å; H524-F526 PolarHBondContact O-N 3.4Å; F526-V528 HydrophobicContact CD1-CG2 4.34Å; F526-V528 HydrophobicContact CD2-CG2 4.11Å; F526-V528 HydrophobicContact CE1-CB 4.09Å; F526-V528 HydrophobicContact CE1-CG2 3.93Å; F526-V528 HydrophobicContact CE2-CG2 3.71Å; F526-V528 HydrophobicContact CG-CG2 4.42Å; F526-V528 HydrophobicContact CZ-CB 4.03Å; F526-V528 HydrophobicContact CZ-CG2 3.61Å; F526-L550 HydrophobicContact CD1-CB 4.46Å; F526-L550 HydrophobicContact CD1-CD1 4.12Å; F526-L550 HydrophobicContact CE1-CB 3.86Å; F526-L550 HydrophobicContact CE1-CD1 4.13Å; F526-L550 HydrophobicContact CZ-CB 4.39Å; F526-A553 HydrophobicContact CB-CB 3.46Å; F526-A553 VanDerWaalsContact CB-CB 3.46Å; F526-A553 HydrophobicContact CD1-CB 4.49Å; F526-A553 HydrophobicContact CD2-CB 4.37Å; F526-A553 HydrophobicContact CG-CB 3.88Å; F526-L558 HydrophobicContact CB-CD2 4.25Å; F526-L558 HydrophobicContact CD2-CD2 3.65Å; F526-L558 HydrophobicContact CE2-CD2 4.5Å; F526-L558 HydrophobicContact CG-CD2 4.37Å
527	F	98.8	Very high	97.3	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.022	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	100.5	172.7	-174.4	-79.2	0	0	0	106.9	I392 R396 F402 A412 L504 E520 L521 H524	I392-F527 HydrophobicContact CG2-CE2 3.99Å; I392-F527 HydrophobicContact CG2-CZ 3.73Å; R396-F527 HydrophobicContact CB-CD2 4.4Å; R396-F527 HydrophobicContact CB-CE2 3.92Å; R396-F527 HydrophobicContact CG-CE2 4.46Å; F402-F527 HydrophobicContact CB-CD2 3.7Å; F402-F527 HydrophobicContact CB-CE2 4.13Å; F402-F527 HydrophobicContact CB-CG 4.36Å; F402-F527 HydrophobicContact CD1-CD1 4.18Å; F402-F527 AromaticContact CD1-CD2 3.65Å; F402-F527 HydrophobicContact CD1-CD2 3.65Å; F402-F527 HydrophobicContact CD1-CE1 4.08Å; F402-F527 AromaticContact CD1-CE2 3.52Å; F402-F527 HydrophobicContact CD1-CE2 3.52Å; F402-F527 AromaticContact CD1-CG 3.97Å; F402-F527 HydrophobicContact CD1-CG 3.97Å; F402-F527 AromaticContact CD1-CZ 3.75Å; F402-F527 HydrophobicContact CD1-CZ 3.75Å; F402-F527 HydrophobicContact CE1-CE1 4.29Å; F402-F527 HydrophobicContact CE1-CE2 4.15Å; F402-F527 AromaticContact CE1-CZ 3.97Å; F402-F527 HydrophobicContact CE1-CZ 3.97Å; F402-F527 AromaticContact CG-CD2 3.94Å; F402-F527 HydrophobicContact CG-CD2 3.94Å; F402-F527 AromaticContact CG-CE2 3.9Å; F402-F527 HydrophobicContact CG-CE2 3.9Å; A412-F527 HydrophobicContact CB-CE1 4.03Å; A412-F527 HydrophobicContact CB-CZ 3.97Å; L504-F527 HydrophobicContact CD1-CE1 4.42Å; E520-F527 WeakPolarHBondContact CA-O 3.47Å; L521-F527 HydrophobicContact CB-CB 3.88Å; L521-F527 HydrophobicContact CB-CD1 3.63Å; L521-F527 HydrophobicContact CB-CE1 4.44Å; L521-F527 HydrophobicContact CB-CG 3.95Å; L521-F527 HydrophobicContact CD2-CB 4.46Å; L521-F527 HydrophobicContact CD2-CD1 4.25Å; L521-F527 HydrophobicContact CD2-CD2 4.46Å; L521-F527 HydrophobicContact CD2-CG 4.16Å; L521-F527 PolarHBondContact N-O 3.01Å; H524-F527 HydrophobicContact CB-CB 4.07Å; H524-F527 WeakPolarHBondContact ND1-CB 3.36Å; H524-F527 PolarHBondContact ND1-N 3.22Å
528	V	98.8	Very high	97.2	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.1	-173.7	178.4	0	0	0	0	108.8	F402 L403 G404 M471 I518 V519 E520 F526 V530	F402-V528 PolarHBondContact O-N 2.82Å; L403-V528 CarbonylContact C-O 3.52Å; L403-V528 VanDerWaalsContact CA-O 3.29Å; L403-V528 WeakPolarHBondContact CA-O 3.44Å; L403-V528 HydrophobicContact CD1-CB 4.24Å; L403-V528 HydrophobicContact CD1-CG1 4.16Å; G404-V528 PolarHBondContact N-O 2.84Å; M471-V528 HydrophobicContact CG-CG1 3.72Å; M471-V528 HydrophobicContact CG-CG2 4.18Å; M471-V528 HydrophobicContact SD-CB 4.4Å; M471-V528 HydrophobicContact SD-CG1 3.7Å; M471-V528 HydrophobicContact SD-CG2 4.01Å; I518-V528 HydrophobicContact CG2-CG1 4.47Å; V519-V528 WeakPolarHBondContact O-CA 3.32Å; E520-V528 HydrophobicContact CG-CG2 4.34Å; F526-V528 HydrophobicContact CD1-CG2 4.34Å; F526-V528 HydrophobicContact CD2-CG2 4.11Å; F526-V528 HydrophobicContact CE1-CB 4.09Å; F526-V528 HydrophobicContact CE1-CG2 3.93Å; F526-V528 HydrophobicContact CE2-CG2 3.71Å; F526-V528 HydrophobicContact CG-CG2 4.42Å; F526-V528 HydrophobicContact CZ-CB 4.03Å; F526-V528 HydrophobicContact CZ-CG2 3.61Å; V528-V530 HydrophobicContact CG1-CG1 4.02Å
529	G	98.6	Very high	97	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.2	164	0	0	0	0	0	109.9	G404 I518 V519	G404-G529 CarbonylContact O-C 3.49Å; G404-G529 WeakPolarHBondContact O-CA 3.45Å; I518-G529 WeakPolarHBondContact CA-O 3.44Å; V519-G529 PolarHBondContact N-O 3.44Å; V519-G529 PolarHBondContact O-N 2.67Å
530	V	98.6	Very high	96.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.5	174.4	-61.4	0	0	0	0	110.2	G404 V405 C406 E517 I518 V528 Y532 P534	G404-V530 PolarHBondContact O-N 2.89Å; V405-V530 CarbonylContact C-O 3.59Å; V405-V530 HydrophobicContact CG2-CG2 4.35Å; C406-V530 PolarHBondContact N-O 2.99Å; E517-V530 WeakPolarHBondContact O-CA 3.31Å; I518-V530 HydrophobicContact CG1-CG1 4.37Å; I518-V530 HydrophobicContact CG2-CG1 4.23Å; V528-V530 HydrophobicContact CG1-CG1 4.02Å; V530-Y532 HydrophobicContact CB-CD1 4.22Å; V530-Y532 HydrophobicContact CB-CD2 4.25Å; V530-Y532 HydrophobicContact CB-CE1 3.89Å; V530-Y532 HydrophobicContact CB-CE2 3.91Å; V530-Y532 HydrophobicContact CB-CG 4.39Å; V530-Y532 HydrophobicContact CG1-CE1 4.01Å; V530-Y532 HydrophobicContact CG1-CE2 4.03Å; V530-Y532 WeakPolarHBondContact CG1-OH 3.33Å; V530-Y532 HydrophobicContact CG2-CD2 4.23Å; V530-Y532 HydrophobicContact CG2-CE2 4.03Å; V530-P534 HydrophobicContact CG2-CG 3.96Å
531	Q	97.8	Very high	95.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-79.6	-35.9	175.2	-88.2	-68.8	32.1	0	0	112.5	C406 M409 H487 F489 E490 E517	C406-Q531 WeakPolarHBondContact CA-O 3.48Å; M409-Q531 HydrophobicContact CE-CG 4.26Å; M409-Q531 HydrophobicContact SD-CB 4.29Å; M409-Q531 HydrophobicContact SD-CG 3.71Å; H487-Q531 PolarHBondContact CD2-O 2.97Å; H487-Q531 VanDerWaalsContact CD2-O 3.27Å; F489-Q531 PolarHBondContact O-NE2 3.24Å; E490-Q531 PolarHBondContact OE2-NE2 3.44Å; E517-Q531 PolarHBondContact O-N 3.21Å; E517-Q531 WeakPolarHBondContact OE2-CB 3.44Å
532	Y	98.2	Very high	95.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-69.4	170.8	175.6	53.5	-97	0	0	0	112.4	Y475 L481 E483 R484 I518 V530 P534 P546	Y475-Y532 PolarHBondContact OH-OH 3.45Å; L481-Y532 HydrophobicContact CD1-CD1 4.32Å; L481-Y532 HydrophobicContact CD1-CE1 3.9Å; L481-Y532 HydrophobicContact CD2-CE1 4.32Å; E483-Y532 HydrophobicContact CB-CD1 4.07Å; E483-Y532 HydrophobicContact CB-CD2 3.5Å; E483-Y532 HydrophobicContact CB-CE2 4.15Å; E483-Y532 HydrophobicContact CB-CG 3.47Å; E483-Y532 VanDerWaalsContact CB-CG 3.47Å; E483-Y532 HydrophobicContact CG-CD1 4.42Å; E483-Y532 HydrophobicContact CG-CD2 3.56Å; E483-Y532 HydrophobicContact CG-CE2 3.69Å; E483-Y532 HydrophobicContact CG-CG 3.96Å; R484-Y532 WeakPolarHBondContact O-CB 3.4Å; I518-Y532 HydrophobicContact CD1-CE1 3.96Å; I518-Y532 HydrophobicContact CG1-CE1 3.76Å; V530-Y532 HydrophobicContact CB-CD1 4.22Å; V530-Y532 HydrophobicContact CB-CD2 4.25Å; V530-Y532 HydrophobicContact CB-CE1 3.89Å; V530-Y532 HydrophobicContact CB-CE2 3.91Å; V530-Y532 HydrophobicContact CB-CG 4.39Å; V530-Y532 HydrophobicContact CG1-CE1 4.01Å; V530-Y532 HydrophobicContact CG1-CE2 4.03Å; V530-Y532 WeakPolarHBondContact CG1-OH 3.33Å; V530-Y532 HydrophobicContact CG2-CD2 4.23Å; V530-Y532 HydrophobicContact CG2-CE2 4.03Å; Y532-P534 HydrophobicContact CD2-CB 4.12Å; Y532-P534 HydrophobicContact CD2-CG 4.26Å; Y532-P534 HydrophobicContact CE2-CB 3.95Å; Y532-P534 HydrophobicContact CE2-CG 4.19Å; Y532-P534 WeakPolarHBondContact O-CD 3.45Å; Y532-P546 HydrophobicContact CE2-CG 4.24Å
533	H	98	Very high	95.2	Very high	16 Å²	16	22.8 Å²	22.8	7%	0.074	12%	0.119	C	C	.	.			trans	-104.3	88.9	176.9	-76.5	-94.4	0	0	0	111.1	C406 R484 E535 F536	C406-H533 WeakPolarHBondContact CB-NE2 3.36Å; R484-H533 PolarHBondContact O-N 3.08Å; H533-E535 IonicContact CE1-OE1 3.24Å; H533-E535 IonicContact CG-OE1 2.74Å; H533-E535 IonicContact ND1-OE1 3.17Å; H533-E535 PolarHBondContact ND1-OE1 3.48Å; H533-E535 PolarHBondContact O-N 3.32Å; H533-E535 VanDerWaalsContact O-N 3.15Å; H533-F536 HydrophobicContact CB-CD2 3.45Å; H533-F536 VanDerWaalsContact CB-CD2 3.45Å; H533-F536 HydrophobicContact CB-CE2 3.27Å; H533-F536 HydrophobicContact CB-CG 4.36Å; H533-F536 HydrophobicContact CB-CZ 4.06Å; H533-F536 AromaticContact CG-CE2 3.66Å; H533-F536 PolarHBondContact O-N 2.71Å
534	P	97.1	Very high	95.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.4	-175.9	21.2	-28.2	0	0	0	114.7	V405 V530 Y532 F536 S544 P546 Y547	V405-P534 HydrophobicContact CG2-CG 4.29Å; V530-P534 HydrophobicContact CG2-CG 3.96Å; Y532-P534 HydrophobicContact CD2-CB 4.12Å; Y532-P534 HydrophobicContact CD2-CG 4.26Å; Y532-P534 HydrophobicContact CE2-CB 3.95Å; Y532-P534 HydrophobicContact CE2-CG 4.19Å; Y532-P534 WeakPolarHBondContact O-CD 3.45Å; P534-F536 VanDerWaalsContact C-N 3.33Å; P534-S544 VanDerWaalsContact CB-OG 3.31Å; P534-S544 WeakPolarHBondContact CB-OG 3.37Å; P534-S544 VanDerWaalsContact O-CB 3.28Å; P534-S544 WeakPolarHBondContact O-CB 3.24Å; P534-S544 PolarHBondContact O-OG 3.18Å; P534-P546 HydrophobicContact CB-CB 4.35Å; P534-P546 HydrophobicContact CB-CG 3.68Å; P534-P546 HydrophobicContact CG-CB 4.23Å; P534-P546 HydrophobicContact CG-CG 3.97Å; P534-Y547 HydrophobicContact CB-CD2 4.2Å; P534-Y547 HydrophobicContact CB-CE2 4.01Å; P534-Y547 HydrophobicContact CG-CD2 4.15Å; P534-Y547 HydrophobicContact CG-CE2 3.65Å
535	E	96.8	Very high	95.4	Very high	3 Å²	3	15.6 Å²	15.6	1%	0.014	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.8	-178.9	54.6	-88.1	-161.3	0	0	113.6	R83 V324 A327 H533 Y547	R83-E535 PolarHBondContact NH2-O 3.37Å; V324-E535 HydrophobicContact CG2-CB 4.43Å; V324-E535 HydrophobicContact CG2-CG 4.11Å; A327-E535 HydrophobicContact CB-CB 3.98Å; H533-E535 IonicContact CE1-OE1 3.24Å; H533-E535 IonicContact CG-OE1 2.74Å; H533-E535 IonicContact ND1-OE1 3.17Å; H533-E535 PolarHBondContact ND1-OE1 3.48Å; H533-E535 PolarHBondContact O-N 3.32Å; H533-E535 VanDerWaalsContact O-N 3.15Å; E535-Y547 HydrophobicContact CB-CE2 3.86Å; E535-Y547 PolarHBondContact OE2-OH 3.22Å
536	F	96.2	Very high	95.5	Very high	2 Å²	2	12 Å²	12	1%	0.009	6%	0.059	C	C	.	.	S	Bend	trans	-74.7	-34.7	-176	-59.1	-37.1	0	0	0	112.6	F66 V67 R484 H533 P534 S538 R539	F66-F536 AromaticContact CD2-CD1 3.45Å; F66-F536 HydrophobicContact CD2-CD1 3.45Å; F66-F536 VanDerWaalsContact CD2-CD1 3.45Å; F66-F536 AromaticContact CD2-CE1 3.93Å; F66-F536 HydrophobicContact CD2-CE1 3.93Å; F66-F536 HydrophobicContact CD2-CG 4.26Å; F66-F536 HydrophobicContact CE2-CB 3.91Å; F66-F536 AromaticContact CE2-CD1 3.52Å; F66-F536 HydrophobicContact CE2-CD1 3.52Å; F66-F536 HydrophobicContact CE2-CE1 4.43Å; F66-F536 HydrophobicContact CE2-CG 4.05Å; F66-F536 HydrophobicContact CG-CD1 4.32Å; F66-F536 HydrophobicContact CZ-CB 4.1Å; F66-F536 HydrophobicContact CZ-CD1 4.43Å; V67-F536 HydrophobicContact CB-CD2 3.88Å; V67-F536 HydrophobicContact CB-CE2 3.65Å; V67-F536 HydrophobicContact CB-CZ 4.37Å; V67-F536 HydrophobicContact CG2-CD2 4.32Å; V67-F536 HydrophobicContact CG2-CE2 3.56Å; V67-F536 HydrophobicContact CG2-CZ 4.02Å; R484-F536 HydrophobicContact CB-CD2 4.08Å; H533-F536 HydrophobicContact CB-CD2 3.45Å; H533-F536 VanDerWaalsContact CB-CD2 3.45Å; H533-F536 HydrophobicContact CB-CE2 3.27Å; H533-F536 HydrophobicContact CB-CG 4.36Å; H533-F536 HydrophobicContact CB-CZ 4.06Å; H533-F536 AromaticContact CG-CE2 3.66Å; H533-F536 PolarHBondContact O-N 2.71Å; P534-F536 VanDerWaalsContact C-N 3.33Å; F536-S538 VanDerWaalsContact C-N 3.34Å; F536-R539 PolarHBondContact O-NH1 2.85Å; F536-R539 VanDerWaalsContact O-NH1 3.14Å
537	L	94.9	Very high	95.5	Very high	28 Å²	28	11.8 Å²	11.8	15%	0.147	6%	0.058	C	C	.	.	S	Bend	trans	-88.8	0.7	178	-61.9	-168.4	0	0	0	113.7	E482 E483 R484	E482-L537 WeakPolarHBondContact O-CD1 3.47Å; E483-L537 WeakPolarHBondContact OE2-CD1 3.33Å; R484-L537 HydrophobicContact CG-CD2 4.45Å
538	S	95.6	Very high	95.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.			trans	-65.2	139.2	175.1	-165.1	0	0	0	0	111.4	R83 H330 F536 S544	R83-S538 WeakPolarHBondContact CG-O 3.26Å; H330-S538 PolarHBondContact ND1-OG 3.31Å; F536-S538 VanDerWaalsContact C-N 3.34Å; S538-S544 PolarHBondContact OG-N 3.23Å
539	R	92.8	Very high	95.5	Very high	15 Å²	15	11.6 Å²	11.6	6%	0.057	6%	0.056	C	C	.	.			trans	-126.7	155.5	171.7	-55.5	-65.2	-178.1	-107.8	11.9	110	E82 D86 I87 H330 F536 I541 K542	E82-R539 WeakPolarHBondContact O-CD 3.14Å; E82-R539 PolarHBondContact O-NE 3.01Å; E82-R539 IonicContact OE2-NH2 2.96Å; D86-R539 IonicContact OD1-NE 3.92Å; D86-R539 PolarHBondContact OD1-NE 3.21Å; D86-R539 VanDerWaalsContact OD1-NE 3.11Å; I87-R539 PolarHBondContact O-NH2 3.42Å; H330-R539 VanDerWaalsContact ND1-C 3.33Å; H330-R539 PolarHBondContact ND1-O 2.98Å; F536-R539 PolarHBondContact O-NH1 2.85Å; F536-R539 VanDerWaalsContact O-NH1 3.14Å; R539-I541 VanDerWaalsContact C-N 3.26Å; R539-I541 PolarHBondContact O-N 3.04Å; R539-K542 HydrophobicContact CB-CB 4.19Å; R539-K542 PolarHBondContact N-O 2.87Å; R539-K542 CarbonylContact O-C 3.54Å; R539-K542 PolarHBondContact O-N 2.91Å
540	P	87.6	Confident	95.4	Very high	4 Å²	4	11.6 Å²	11.6	3%	0.026	6%	0.056	C	C	.	.	S	Bend	trans	-59.3	-35.1	-179.5	-22.6	31.7	0	0	0	114.2	R83 Y258 M295 Y574	R83-P540 VanDerWaalsContact O-CD 3.25Å; R83-P540 WeakPolarHBondContact O-CD 3.3Å; Y258-P540 HydrophobicContact CE1-CB 3.82Å; Y258-P540 HydrophobicContact CE1-CG 3.7Å; M295-P540 HydrophobicContact CE-CB 3.79Å; M295-P540 HydrophobicContact SD-CB 3.39Å; M295-P540 WeakPolarHBondContact SD-CB 3.38Å; P540-Y574 PolarHBondContact O-OH 2.99Å
541	I	84	Confident	95.4	Very high	51 Å²	51	11.6 Å²	11.6	26%	0.262	6%	0.056	S	C	.	.	S	Bend	trans	-91.7	-25.1	-179.7	-60.7	171.7	0	0	0	111.7	K291 R539 Y574	K291-I541 HydrophobicContact CB-CD1 3.95Å; K291-I541 HydrophobicContact CD-CD1 4.2Å; R539-I541 VanDerWaalsContact C-N 3.26Å; R539-I541 PolarHBondContact O-N 3.04Å; I541-Y574 HydrophobicContact CB-CE2 4.32Å; I541-Y574 HydrophobicContact CG2-CD2 4.06Å; I541-Y574 HydrophobicContact CG2-CE2 3.8Å
542	K	88.6	Confident	95.4	Very high	95 Å²	95	11.8 Å²	11.8	41%	0.413	6%	0.057	S	C	.	.	S	Bend	trans	-122.4	84.3	-179.4	-173.6	-176.4	176.6	-172.6	0	108.4	R539 F592	R539-K542 HydrophobicContact CB-CB 4.19Å; R539-K542 PolarHBondContact N-O 2.87Å; R539-K542 CarbonylContact O-C 3.54Å; R539-K542 PolarHBondContact O-N 2.91Å; K542-F592 HydrophobicContact CG-CD1 4.34Å; K542-F592 HydrophobicContact CG-CE1 4.3Å
543	P	94	Very high	95.3	Very high	9 Å²	9	12.5 Å²	12.5	6%	0.058	6%	0.063	C	C	.	.			trans	-62.8	157.1	-178.8	27.8	-35.2	0	0	0	110.6	H330 A334 F548	H330-P543 HydrophobicContact CB-CB 4.16Å; A334-P543 HydrophobicContact CB-CG 4.02Å; P543-F548 HydrophobicContact CB-CB 4.39Å; P543-F548 HydrophobicContact CB-CD2 4.49Å; P543-F548 HydrophobicContact CG-CB 4.44Å; P543-F548 HydrophobicContact CG-CD2 4.04Å; P543-F548 HydrophobicContact CG-CG 4.26Å
544	S	96.5	Very high	95.3	Very high	3 Å²	3	12.3 Å²	12.3	2%	0.021	6%	0.064	C	C	.	.			trans	-73.5	128.6	-178.7	178.1	0	0	0	0	110.2	P534 S538 Y547 F548	P534-S544 VanDerWaalsContact CB-OG 3.31Å; P534-S544 WeakPolarHBondContact CB-OG 3.37Å; P534-S544 VanDerWaalsContact O-CB 3.28Å; P534-S544 WeakPolarHBondContact O-CB 3.24Å; P534-S544 PolarHBondContact O-OG 3.18Å; S538-S544 PolarHBondContact OG-N 3.23Å; S544-Y547 PolarHBondContact O-N 2.89Å; S544-F548 WeakPolarHBondContact O-CB 3.38Å; S544-F548 PolarHBondContact O-N 3.22Å
545	P	96.9	Very high	95.3	Very high	15 Å²	15	14.1 Å²	14.1	10%	0.097	8%	0.075	C	C	.	.	H	α-helix	trans	-56.6	-43.5	-171.7	-26.8	35.8	0	0	0	115.5	L474 Y475 F548 G549	L474-P545 HydrophobicContact CB-CB 4.01Å; Y475-P545 HydrophobicContact CD1-CB 4.3Å; Y475-P545 HydrophobicContact CD1-CG 3.83Å; Y475-P545 HydrophobicContact CD2-CB 4.04Å; Y475-P545 HydrophobicContact CD2-CG 4.45Å; Y475-P545 HydrophobicContact CE1-CB 4.16Å; Y475-P545 HydrophobicContact CE1-CG 3.64Å; Y475-P545 HydrophobicContact CE2-CB 3.87Å; Y475-P545 HydrophobicContact CE2-CG 4.27Å; Y475-P545 HydrophobicContact CG-CB 4.24Å; Y475-P545 HydrophobicContact CG-CG 4.24Å; P545-F548 PolarHBondContact O-N 3.09Å; P545-G549 PolarHBondContact O-N 3.05Å
546	P	98.2	Very high	95.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62	-44.4	176.6	-20	29.7	0	0	0	113.3	L403 M471 Y475 Y532 P534 G549 L550	L403-P546 HydrophobicContact CD1-CB 3.97Å; L403-P546 HydrophobicContact CD2-CB 4.03Å; M471-P546 HydrophobicContact CE-CB 3.86Å; M471-P546 HydrophobicContact CE-CG 3.5Å; M471-P546 VanDerWaalsContact CE-CG 3.5Å; Y475-P546 HydrophobicContact CE2-CG 4.36Å; Y532-P546 HydrophobicContact CE2-CG 4.24Å; P534-P546 HydrophobicContact CB-CB 4.35Å; P534-P546 HydrophobicContact CB-CG 3.68Å; P534-P546 HydrophobicContact CG-CB 4.23Å; P534-P546 HydrophobicContact CG-CG 3.97Å; P546-G549 PolarHBondContact O-N 3.32Å; P546-L550 PolarHBondContact O-N 2.88Å
547	Y	98.5	Very high	95.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.8	-38.4	178.2	-74.1	-79.8	0	0	0	112	V324 A327 L328 L375 L403 P534 E535 S544 L550 L551	V324-Y547 HydrophobicContact CG1-CE1 3.99Å; A327-Y547 HydrophobicContact CB-CD1 4.36Å; A327-Y547 HydrophobicContact CB-CD2 3.71Å; A327-Y547 HydrophobicContact CB-CE1 4.49Å; A327-Y547 HydrophobicContact CB-CE2 3.85Å; A327-Y547 HydrophobicContact CB-CG 3.97Å; L328-Y547 HydrophobicContact CD2-CD1 3.62Å; L328-Y547 HydrophobicContact CD2-CE1 4.23Å; L328-Y547 HydrophobicContact CG-CD1 3.8Å; L328-Y547 HydrophobicContact CG-CE1 4.1Å; L375-Y547 HydrophobicContact CD1-CE1 4.14Å; L375-Y547 HydrophobicContact CD2-CE1 3.86Å; L403-Y547 HydrophobicContact CD2-CD1 4.03Å; L403-Y547 HydrophobicContact CD2-CE1 4.14Å; L403-Y547 HydrophobicContact CD2-CG 4.26Å; P534-Y547 HydrophobicContact CB-CD2 4.2Å; P534-Y547 HydrophobicContact CB-CE2 4.01Å; P534-Y547 HydrophobicContact CG-CD2 4.15Å; P534-Y547 HydrophobicContact CG-CE2 3.65Å; E535-Y547 HydrophobicContact CB-CE2 3.86Å; E535-Y547 PolarHBondContact OE2-OH 3.22Å; S544-Y547 PolarHBondContact O-N 2.89Å; Y547-L550 PolarHBondContact O-N 3.36Å; Y547-L551 PolarHBondContact O-N 3.11Å; Y547-L551 VanDerWaalsContact O-N 3.08Å
548	F	97.8	Very high	95.1	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.009	12%	0.118	C	C	.	.	H	α-helix	trans	-66	-41.9	176.1	-176.1	-114.7	0	0	0	111.7	S331 A334 I335 P543 S544 P545 L551 L552 Y561 L568	S331-F548 PolarHBondContact OG-N 3.02Å; A334-F548 HydrophobicContact CB-CD2 4.27Å; A334-F548 HydrophobicContact CB-CE2 3.87Å; I335-F548 HydrophobicContact CG2-CD2 4.34Å; I335-F548 HydrophobicContact CG2-CE2 3.61Å; I335-F548 HydrophobicContact CG2-CZ 4.34Å; P543-F548 HydrophobicContact CB-CB 4.39Å; P543-F548 HydrophobicContact CB-CD2 4.49Å; P543-F548 HydrophobicContact CG-CB 4.44Å; P543-F548 HydrophobicContact CG-CD2 4.04Å; P543-F548 HydrophobicContact CG-CG 4.26Å; S544-F548 WeakPolarHBondContact O-CB 3.38Å; S544-F548 PolarHBondContact O-N 3.22Å; P545-F548 PolarHBondContact O-N 3.09Å; F548-L551 PolarHBondContact O-N 3.26Å; F548-L552 HydrophobicContact CD1-CD1 3.8Å; F548-L552 HydrophobicContact CE1-CD1 3.37Å; F548-L552 HydrophobicContact CE1-CG 4.16Å; F548-L552 HydrophobicContact CE2-CD1 4.35Å; F548-L552 HydrophobicContact CE2-CG 4.28Å; F548-L552 HydrophobicContact CG-CD1 4.45Å; F548-L552 HydrophobicContact CZ-CD1 3.67Å; F548-L552 HydrophobicContact CZ-CD2 4.29Å; F548-L552 HydrophobicContact CZ-CG 4.03Å; F548-L552 WeakPolarHBondContact O-CB 3.43Å; F548-L552 WeakPolarHBondContact O-CG 3.43Å; F548-L552 PolarHBondContact O-N 3.2Å; F548-Y561 HydrophobicContact CE1-CD1 4.5Å; F548-Y561 HydrophobicContact CE1-CD2 4.48Å; F548-Y561 AromaticContact CE1-CE1 3.89Å; F548-Y561 HydrophobicContact CE1-CE1 3.89Å; F548-Y561 AromaticContact CE1-CE2 3.86Å; F548-Y561 HydrophobicContact CE1-CE2 3.86Å; F548-Y561 AromaticContact CE1-CZ 3.53Å; F548-Y561 HydrophobicContact CZ-CE2 4.14Å; F548-L568 HydrophobicContact CE2-CD2 4.26Å; F548-L568 HydrophobicContact CZ-CD1 4.47Å; F548-L568 HydrophobicContact CZ-CD2 3.69Å; F548-L568 HydrophobicContact CZ-CG 4.21Å
549	G	97.7	Very high	94.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.9	-45.8	172	0	0	0	0	0	113	P545 P546 L551 L552 A553	P545-G549 PolarHBondContact O-N 3.05Å; P546-G549 PolarHBondContact O-N 3.32Å; G549-L551 VanDerWaalsContact C-N 3.35Å; G549-L551 PolarHBondContact O-N 2.84Å; G549-L552 PolarHBondContact O-N 3.34Å; G549-A553 WeakPolarHBondContact O-CB 3.17Å; G549-A553 PolarHBondContact O-N 3.18Å
550	L	98.6	Very high	94.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.3	-47.3	176.6	177.3	67.5	0	0	0	111.5	I308 L328 L375 P401 L403 F526 P546 Y547 A553 S554	I308-L550 HydrophobicContact CG2-CD2 4.38Å; L328-L550 HydrophobicContact CD2-CD2 4.27Å; L375-L550 HydrophobicContact CB-CD2 4.39Å; P401-L550 HydrophobicContact CB-CD1 4Å; L403-L550 HydrophobicContact CB-CB 4.44Å; L403-L550 HydrophobicContact CB-CD1 4.19Å; L403-L550 HydrophobicContact CB-CD2 3.95Å; L403-L550 HydrophobicContact CB-CG 4.42Å; L403-L550 HydrophobicContact CD2-CD2 4.4Å; F526-L550 HydrophobicContact CD1-CB 4.46Å; F526-L550 HydrophobicContact CD1-CD1 4.12Å; F526-L550 HydrophobicContact CE1-CB 3.86Å; F526-L550 HydrophobicContact CE1-CD1 4.13Å; F526-L550 HydrophobicContact CZ-CB 4.39Å; P546-L550 PolarHBondContact O-N 2.88Å; Y547-L550 PolarHBondContact O-N 3.36Å; L550-A553 PolarHBondContact O-N 3.36Å; L550-S554 WeakPolarHBondContact O-CB 3.39Å; L550-S554 PolarHBondContact O-N 3.18Å; L550-S554 PolarHBondContact O-OG 3.37Å
551	L	97.7	Very high	94.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-69.8	-42.1	-178.4	-98.4	66.4	0	0	0	112.2	I308 L328 A332 I335 Y547 F548 G549 A553 S554 V555	I308-L551 HydrophobicContact CD1-CD1 4.03Å; I308-L551 HydrophobicContact CG1-CD1 4.01Å; L328-L551 HydrophobicContact CD2-CD1 3.51Å; A332-L551 VanDerWaalsContact CA-CD2 3.45Å; A332-L551 HydrophobicContact CB-CD2 3.64Å; I335-L551 HydrophobicContact CD1-CB 4.01Å; I335-L551 HydrophobicContact CD1-CD2 4.38Å; Y547-L551 PolarHBondContact O-N 3.11Å; Y547-L551 VanDerWaalsContact O-N 3.08Å; F548-L551 PolarHBondContact O-N 3.26Å; G549-L551 VanDerWaalsContact C-N 3.35Å; G549-L551 PolarHBondContact O-N 2.84Å; L551-A553 VanDerWaalsContact C-N 3.28Å; L551-A553 PolarHBondContact O-N 3.24Å; L551-S554 WeakPolarHBondContact O-CB 3.41Å; L551-S554 PolarHBondContact O-N 2.82Å; L551-V555 WeakPolarHBondContact O-CG2 3.35Å; L551-V555 PolarHBondContact O-N 3.27Å; L551-V555 VanDerWaalsContact O-N 3.12Å
552	L	97.2	Very high	95.2	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-58.2	-41.1	173	-79.6	175.6	0	0	0	112	I335 F548 G549 G556 R557 L558 Y561	I335-L552 HydrophobicContact CG2-CD2 3.8Å; I335-L552 HydrophobicContact CG2-CG 4.3Å; F548-L552 HydrophobicContact CD1-CD1 3.8Å; F548-L552 HydrophobicContact CE1-CD1 3.37Å; F548-L552 HydrophobicContact CE1-CG 4.16Å; F548-L552 HydrophobicContact CE2-CD1 4.35Å; F548-L552 HydrophobicContact CE2-CG 4.28Å; F548-L552 HydrophobicContact CG-CD1 4.45Å; F548-L552 HydrophobicContact CZ-CD1 3.67Å; F548-L552 HydrophobicContact CZ-CD2 4.29Å; F548-L552 HydrophobicContact CZ-CG 4.03Å; F548-L552 WeakPolarHBondContact O-CB 3.43Å; F548-L552 WeakPolarHBondContact O-CG 3.43Å; F548-L552 PolarHBondContact O-N 3.2Å; G549-L552 PolarHBondContact O-N 3.34Å; L552-G556 PolarHBondContact O-N 3.21Å; L552-R557 HydrophobicContact CD2-CB 3.92Å; L552-R557 PolarHBondContact O-N 3.13Å; L552-L558 HydrophobicContact CB-CB 3.99Å; L552-L558 HydrophobicContact CB-CD1 4.16Å; L552-L558 HydrophobicContact CD1-CD1 4.21Å; L552-L558 PolarHBondContact O-N 3.18Å; L552-Y561 HydrophobicContact CD1-CD1 3.62Å; L552-Y561 HydrophobicContact CD1-CD2 4.19Å; L552-Y561 HydrophobicContact CD1-CE1 4.14Å; L552-Y561 HydrophobicContact CD1-CG 3.65Å
553	A	97.6	Very high	95.1	Very high	15 Å²	15	31 Å²	31	12%	0.124	18%	0.178	C	C	.	.	H	α-helix	trans	-67.8	-40.9	176.9	0	0	0	0	0	111.6	P401 F526 G549 L550 L551 V555 G556 L558	P401-A553 HydrophobicContact CB-CB 3.81Å; P401-A553 HydrophobicContact CG-CB 3.78Å; F526-A553 HydrophobicContact CB-CB 3.46Å; F526-A553 VanDerWaalsContact CB-CB 3.46Å; F526-A553 HydrophobicContact CD1-CB 4.49Å; F526-A553 HydrophobicContact CD2-CB 4.37Å; F526-A553 HydrophobicContact CG-CB 3.88Å; G549-A553 WeakPolarHBondContact O-CB 3.17Å; G549-A553 PolarHBondContact O-N 3.18Å; L550-A553 PolarHBondContact O-N 3.36Å; L551-A553 VanDerWaalsContact C-N 3.28Å; L551-A553 PolarHBondContact O-N 3.24Å; A553-V555 PolarHBondContact O-N 3.33Å; A553-G556 PolarHBondContact O-N 3.19Å; A553-L558 HydrophobicContact CB-CB 4.27Å; A553-L558 HydrophobicContact CB-CD2 3.97Å
554	S	97.4	Very high	94.7	Very high	13 Å²	13	36.2 Å²	36.2	9%	0.091	20%	0.2	C	C	.	.	H	α-helix	trans	-60.9	-31.7	179	-61	0	0	0	0	112.7	I308 L550 L551	I308-S554 WeakPolarHBondContact CD1-OG 3.42Å; L550-S554 WeakPolarHBondContact O-CB 3.39Å; L550-S554 PolarHBondContact O-N 3.18Å; L550-S554 PolarHBondContact O-OG 3.37Å; L551-S554 WeakPolarHBondContact O-CB 3.41Å; L551-S554 PolarHBondContact O-N 2.82Å
555	V	95.9	Very high	93.9	Very high	37 Å²	37	38.5 Å²	38.5	22%	0.224	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	9.1	176.6	-53.8	0	0	0	0	113.6	C306 I335 L551 A553 R557	C306-V555 HydrophobicContact CB-CG1 4Å; I335-V555 HydrophobicContact CD1-CG1 4.11Å; I335-V555 HydrophobicContact CD1-CG2 4.08Å; L551-V555 WeakPolarHBondContact O-CG2 3.35Å; L551-V555 PolarHBondContact O-N 3.27Å; L551-V555 VanDerWaalsContact O-N 3.12Å; A553-V555 PolarHBondContact O-N 3.33Å; V555-R557 VanDerWaalsContact C-N 3.29Å; V555-R557 HydrophobicContact CG2-CB 3.99Å; V555-R557 HydrophobicContact CG2-CG 3.84Å; V555-R557 PolarHBondContact O-N 3.42Å
556	G	94.9	Very high	93.2	Very high	68 Å²	68	38.7 Å²	38.7	70%	0.701	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	18	177.5	0	0	0	0	0	115.6	L552 A553	L552-G556 PolarHBondContact O-N 3.21Å; A553-G556 PolarHBondContact O-N 3.19Å
557	R	94.3	Very high	91.8	Very high	90 Å²	90	44.6 Å²	44.6	34%	0.34	25%	0.248	S	C	.	.			trans	-100	-7.1	-177.5	-66.9	-179.2	-171.9	178.8	8.7	114.1	E304 L552 V555 S559 H560 Y561	E304-R557 IonicContact OE2-NH2 2.71Å; E304-R557 PolarHBondContact OE2-NH2 3.45Å; L552-R557 HydrophobicContact CD2-CB 3.92Å; L552-R557 PolarHBondContact O-N 3.13Å; V555-R557 VanDerWaalsContact C-N 3.29Å; V555-R557 HydrophobicContact CG2-CB 3.99Å; V555-R557 HydrophobicContact CG2-CG 3.84Å; V555-R557 PolarHBondContact O-N 3.42Å; R557-S559 PolarHBondContact O-N 2.96Å; R557-H560 PolarHBondContact O-N 3.47Å; R557-Y561 WeakPolarHBondContact O-CB 3.24Å; R557-Y561 PolarHBondContact O-N 2.99Å
558	L	94.6	Very high	90.1	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-58	-51.6	-175.9	-179.5	62.4	0	0	0	113.2	V470 L474 F526 L552 A553 H560 Y561 L562	V470-L558 HydrophobicContact CG1-CD2 4.16Å; L474-L558 HydrophobicContact CD2-CD1 4.25Å; F526-L558 HydrophobicContact CB-CD2 4.25Å; F526-L558 HydrophobicContact CD2-CD2 3.65Å; F526-L558 HydrophobicContact CE2-CD2 4.5Å; F526-L558 HydrophobicContact CG-CD2 4.37Å; L552-L558 HydrophobicContact CB-CB 3.99Å; L552-L558 HydrophobicContact CB-CD1 4.16Å; L552-L558 HydrophobicContact CD1-CD1 4.21Å; L552-L558 PolarHBondContact O-N 3.18Å; A553-L558 HydrophobicContact CB-CB 4.27Å; A553-L558 HydrophobicContact CB-CD2 3.97Å; L558-H560 VanDerWaalsContact C-N 3.3Å; L558-H560 PolarHBondContact O-N 3.01Å; L558-Y561 WeakPolarHBondContact O-CB 3.4Å; L558-Y561 PolarHBondContact O-N 2.82Å; L558-Y561 VanDerWaalsContact O-N 3.11Å; L558-L562 HydrophobicContact CD1-CD1 4.11Å; L558-L562 HydrophobicContact CD1-CD2 4.4Å; L558-L562 HydrophobicContact CD1-CG 4.06Å; L558-L562 HydrophobicContact CG-CD1 4.07Å; L558-L562 HydrophobicContact CG-CG 4.39Å; L558-L562 WeakPolarHBondContact O-CG 3.49Å; L558-L562 PolarHBondContact O-N 3.43Å
559	S	90.8	Very high	88.1	Confident	83 Å²	83	48.6 Å²	48.6	58%	0.58	27%	0.273	S	S	*	.	H	α-helix	trans	-59.8	-41.9	-176.9	-55.1	0	0	0	0	112.3	R557 L562 Q563	R557-S559 PolarHBondContact O-N 2.96Å; S559-L562 PolarHBondContact O-N 3.31Å; S559-Q563 WeakPolarHBondContact O-CB 3.38Å; S559-Q563 VanDerWaalsContact O-CG 3.25Å; S559-Q563 WeakPolarHBondContact O-CG 3.39Å; S559-Q563 PolarHBondContact O-N 3.34Å
560	H	90.4	Very high	85.9	Confident	99 Å²	99	54 Å²	54	46%	0.458	31%	0.308	S	S	.	.	H	α-helix	trans	-67.3	-38.4	176.9	170.4	-91.8	0	0	0	112.1	R557 L558 Q563 K564	R557-H560 PolarHBondContact O-N 3.47Å; L558-H560 VanDerWaalsContact C-N 3.3Å; L558-H560 PolarHBondContact O-N 3.01Å; H560-Q563 PolarHBondContact O-N 3.46Å; H560-K564 VanDerWaalsContact CE1-CD 3.47Å; H560-K564 WeakPolarHBondContact CE1-CD 3.38Å; H560-K564 VanDerWaalsContact CE1-CE 3.48Å; H560-K564 WeakPolarHBondContact CE1-CE 3.43Å; H560-K564 PolarHBondContact CE1-NZ 3.2Å; H560-K564 WeakPolarHBondContact NE2-CE 3.44Å; H560-K564 PolarHBondContact NE2-NZ 3.28Å; H560-K564 PolarHBondContact O-N 3.15Å; H560-K564 VanDerWaalsContact O-N 3.13Å
561	Y	91.5	Very high	83.7	Confident	11 Å²	11	64.5 Å²	64.5	4%	0.043	35%	0.347	C	S	.	.	H	α-helix	trans	-62	-45.7	174.8	177.7	-99.2	0	0	0	112.1	L474 F548 L552 R557 L558 Q563 K564 C566 L568 F592	L474-Y561 HydrophobicContact CD2-CD1 4.3Å; L474-Y561 HydrophobicContact CD2-CE1 3.96Å; F548-Y561 HydrophobicContact CE1-CD1 4.5Å; F548-Y561 HydrophobicContact CE1-CD2 4.48Å; F548-Y561 AromaticContact CE1-CE1 3.89Å; F548-Y561 HydrophobicContact CE1-CE1 3.89Å; F548-Y561 AromaticContact CE1-CE2 3.86Å; F548-Y561 HydrophobicContact CE1-CE2 3.86Å; F548-Y561 AromaticContact CE1-CZ 3.53Å; F548-Y561 HydrophobicContact CZ-CE2 4.14Å; L552-Y561 HydrophobicContact CD1-CD1 3.62Å; L552-Y561 HydrophobicContact CD1-CD2 4.19Å; L552-Y561 HydrophobicContact CD1-CE1 4.14Å; L552-Y561 HydrophobicContact CD1-CG 3.65Å; R557-Y561 WeakPolarHBondContact O-CB 3.24Å; R557-Y561 PolarHBondContact O-N 2.99Å; L558-Y561 WeakPolarHBondContact O-CB 3.4Å; L558-Y561 PolarHBondContact O-N 2.82Å; L558-Y561 VanDerWaalsContact O-N 3.11Å; Y561-Q563 PolarHBondContact O-N 3.04Å; Y561-K564 PolarHBondContact O-N 3.3Å; Y561-C566 HydrophobicContact CD1-CB 4.44Å; Y561-C566 VanDerWaalsContact CE1-CA 3.47Å; Y561-C566 HydrophobicContact CE1-CB 3.62Å; Y561-C566 VanDerWaalsContact CE2-C 3.44Å; Y561-C566 PolarHBondContact O-N 2.84Å; Y561-C566 VanDerWaalsContact O-N 3.08Å; Y561-C566 PolarHBondContact OH-O 2.9Å; Y561-L568 HydrophobicContact CE2-CD2 4.34Å; Y561-L568 HydrophobicContact CE2-CG 4.28Å; Y561-F592 WeakPolarHBondContact OH-CE2 3.21Å
562	L	89.8	Confident	81.7	Confident	34 Å²	34	65.9 Å²	65.9	18%	0.178	36%	0.355	C	S	.	.	H	α-helix	trans	-64.7	-39.6	177.9	-63.9	177.6	0	0	0	111.9	V470 K473 L474 L558 S559 K564 G565	V470-L562 HydrophobicContact CG1-CD1 4.34Å; K473-L562 HydrophobicContact CB-CD2 3.72Å; K473-L562 HydrophobicContact CD-CD2 4.13Å; L474-L562 HydrophobicContact CD2-CD2 4.39Å; L558-L562 HydrophobicContact CD1-CD1 4.11Å; L558-L562 HydrophobicContact CD1-CD2 4.4Å; L558-L562 HydrophobicContact CD1-CG 4.06Å; L558-L562 HydrophobicContact CG-CD1 4.07Å; L558-L562 HydrophobicContact CG-CG 4.39Å; L558-L562 WeakPolarHBondContact O-CG 3.49Å; L558-L562 PolarHBondContact O-N 3.43Å; S559-L562 PolarHBondContact O-N 3.31Å; L562-K564 VanDerWaalsContact C-N 3.31Å; L562-K564 PolarHBondContact O-N 3.27Å; L562-G565 PolarHBondContact O-N 3.19Å
563	Q	87.4	Confident	79.7	Confident	161 Å²	161	67.4 Å²	67.4	75%	0.752	37%	0.365	S	S	*	.	H	α-helix	trans	-66	-30.6	177.4	-74.6	171.4	6.6	0	0	113.3	S559 H560 Y561 G565	S559-Q563 WeakPolarHBondContact O-CB 3.38Å; S559-Q563 VanDerWaalsContact O-CG 3.25Å; S559-Q563 WeakPolarHBondContact O-CG 3.39Å; S559-Q563 PolarHBondContact O-N 3.34Å; H560-Q563 PolarHBondContact O-N 3.46Å; Y561-Q563 PolarHBondContact O-N 3.04Å; Q563-G565 PolarHBondContact O-N 2.97Å
564	K	84.4	Confident	77.6	Confident	118 Å²	118	67.9 Å²	67.9	51%	0.513	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	10.6	176.3	-75.8	-171.1	168	171.9	0	114.1	H560 Y561 L562	H560-K564 VanDerWaalsContact CE1-CD 3.47Å; H560-K564 WeakPolarHBondContact CE1-CD 3.38Å; H560-K564 VanDerWaalsContact CE1-CE 3.48Å; H560-K564 WeakPolarHBondContact CE1-CE 3.43Å; H560-K564 PolarHBondContact CE1-NZ 3.2Å; H560-K564 WeakPolarHBondContact NE2-CE 3.44Å; H560-K564 PolarHBondContact NE2-NZ 3.28Å; H560-K564 PolarHBondContact O-N 3.15Å; H560-K564 VanDerWaalsContact O-N 3.13Å; Y561-K564 PolarHBondContact O-N 3.3Å; L562-K564 VanDerWaalsContact C-N 3.31Å; L562-K564 PolarHBondContact O-N 3.27Å
565	G	80.4	Confident	75	Confident	51 Å²	51	70.5 Å²	70.5	53%	0.526	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	38.8	-179.9	0	0	0	0	0	112.9	L562 Q563 R567	L562-G565 PolarHBondContact O-N 3.19Å; Q563-G565 PolarHBondContact O-N 2.97Å; G565-R567 PolarHBondContact O-N 3.41Å
566	C	82.3	Confident	72.4	Confident	19 Å²	19	73.3 Å²	73.3	13%	0.128	40%	0.396	C	S	.	.	S	Bend	trans	59.3	43.8	176.9	-60.4	0	0	0	0	113.7	K473 Y561	K473-C566 PolarHBondContact O-SG 3.16Å; Y561-C566 HydrophobicContact CD1-CB 4.44Å; Y561-C566 VanDerWaalsContact CE1-CA 3.47Å; Y561-C566 HydrophobicContact CE1-CB 3.62Å; Y561-C566 VanDerWaalsContact CE2-C 3.44Å; Y561-C566 PolarHBondContact O-N 2.84Å; Y561-C566 VanDerWaalsContact O-N 3.08Å; Y561-C566 PolarHBondContact OH-O 2.9Å
567	R	68.5	Low	69.7	Low	124 Å²	124	80.7 Å²	80.7	47%	0.468	40%	0.402	S	S	.	.			trans	-112.9	128.2	177.8	-63.3	175.6	-175.7	-144.6	-10.3	110.5	G565 E589	G565-R567 PolarHBondContact O-N 3.41Å; R567-E589 IonicContact CZ-OE1 3.03Å; R567-E589 IonicContact NH1-OE1 2.71Å; R567-E589 PolarHBondContact NH1-OE1 3.02Å; R567-E589 IonicContact NH2-OE1 2.62Å; R567-E589 PolarHBondContact NH2-OE1 3.1Å; R567-E589 IonicContact NH2-OE2 3.83Å
568	L	63.8	Low	66.9	Low	36 Å²	36	81.9 Å²	81.9	19%	0.188	42%	0.424	C	S	.	.			trans	-65.9	150.2	167.4	-78.5	173.3	0	0	0	110.1	A334 F548 Y561 D572 T573	A334-L568 HydrophobicContact CB-CD1 4.41Å; F548-L568 HydrophobicContact CE2-CD2 4.26Å; F548-L568 HydrophobicContact CZ-CD1 4.47Å; F548-L568 HydrophobicContact CZ-CD2 3.69Å; F548-L568 HydrophobicContact CZ-CG 4.21Å; Y561-L568 HydrophobicContact CE2-CD2 4.34Å; Y561-L568 HydrophobicContact CE2-CG 4.28Å; L568-D572 HydrophobicContact CB-CB 4.18Å; L568-D572 HydrophobicContact CD2-CB 4.15Å; L568-T573 HydrophobicContact CB-CG2 3.84Å
569	S	55.5	Low	63.9	Low	50 Å²	50	85.1 Å²	85.1	35%	0.35	46%	0.459	S	S	.	.			trans	-59.2	148.4	173.9	-178.1	0	0	0	0	109.9	R571 D572 T573	S569-R571 PolarHBondContact O-N 2.93Å; S569-D572 WeakPolarHBondContact CB-OD2 3.49Å; S569-D572 CarbonylContact O-C 3.52Å; S569-D572 WeakPolarHBondContact O-CA 3.42Å; S569-D572 PolarHBondContact O-N 2.95Å; S569-T573 PolarHBondContact O-N 2.94Å
570	P	51.3	Low	60.9	Low	114 Å²	114	86.3 Å²	86.3	74%	0.74	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-22.6	171.8	-28.1	35.7	0	0	0	114.5	T573	P570-T573 VanDerWaalsContact CA-OG1 3.26Å; P570-T573 WeakPolarHBondContact CA-OG1 3.39Å; P570-T573 PolarHBondContact O-OG1 3.18Å; P570-T573 VanDerWaalsContact O-OG1 3.08Å
571	R	52.7	Low	58.3	Low	219 Å²	219	87.6 Å²	87.6	83%	0.826	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-23.2	173.2	-67.9	-176.1	174	-179.2	-2.2	113.6	S569	S569-R571 PolarHBondContact O-N 2.93Å
572	D	54.9	Low	55.2	Low	30 Å²	30	91.5 Å²	91.5	16%	0.16	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-13.8	-178.9	-55.4	-36.8	0	0	0	111.7	R298 N336 L568 S569	R298-D572 PolarHBondContact NH1-O 3.39Å; N336-D572 PolarHBondContact ND2-OD1 3.22Å; L568-D572 HydrophobicContact CB-CB 4.18Å; L568-D572 HydrophobicContact CD2-CB 4.15Å; S569-D572 WeakPolarHBondContact CB-OD2 3.49Å; S569-D572 CarbonylContact O-C 3.52Å; S569-D572 WeakPolarHBondContact O-CA 3.42Å; S569-D572 PolarHBondContact O-N 2.95Å
573	T	54.9	Low	52.5	Low	36 Å²	36	95.2 Å²	95.2	22%	0.221	54%	0.543	C	S	.	.	S	Bend	trans	-83.2	143.4	175.3	51.5	0	0	0	0	112.4	R298 L568 S569 P570 L590	R298-T573 VanDerWaalsContact NH2-C 3.26Å; R298-T573 PolarHBondContact NH2-O 3.19Å; L568-T573 HydrophobicContact CB-CG2 3.84Å; S569-T573 PolarHBondContact O-N 2.94Å; P570-T573 VanDerWaalsContact CA-OG1 3.26Å; P570-T573 WeakPolarHBondContact CA-OG1 3.39Å; P570-T573 PolarHBondContact O-OG1 3.18Å; P570-T573 VanDerWaalsContact O-OG1 3.08Å; T573-L590 HydrophobicContact CG2-CD1 3.89Å
574	Y	52.9	Low	49.8	Very low	24 Å²	24	94.7 Å²	94.7	9%	0.094	55%	0.546	C	S	.	.			trans	-59	141	170.7	-60	-77.8	0	0	0	110.6	E294 M295 P540 I541 D576 L590	E294-Y574 HydrophobicContact CB-CD1 4.29Å; E294-Y574 WeakPolarHBondContact OE2-CA 3.34Å; E294-Y574 WeakPolarHBondContact OE2-CB 3.49Å; M295-Y574 HydrophobicContact CB-CE1 4.13Å; P540-Y574 PolarHBondContact O-OH 2.99Å; I541-Y574 HydrophobicContact CB-CE2 4.32Å; I541-Y574 HydrophobicContact CG2-CD2 4.06Å; I541-Y574 HydrophobicContact CG2-CE2 3.8Å; Y574-D576 PolarHBondContact O-N 3.42Å; Y574-L590 HydrophobicContact CD2-CD1 4.26Å
575	S	44.7	Very low	47.2	Very low	69 Å²	69	94.7 Å²	94.7	48%	0.483	56%	0.561	S	S	.	*			trans	-84.8	113.1	-175.7	92	0	0	0	0	110.1	E294 R577	E294-S575 WeakPolarHBondContact OE1-CB 3.44Å; E294-S575 PolarHBondContact OE1-N 2.96Å; E294-S575 PolarHBondContact OE1-OG 3.39Å; E294-S575 PolarHBondContact OE2-N 3Å; S575-R577 PolarHBondContact O-N 2.95Å
576	D	40.7	Very low	44.8	Very low	96 Å²	96	101.3 Å²	101.3	51%	0.513	58%	0.578	S	S	.	*			trans	-83.1	10.1	169.8	-80	-24.4	0	0	0	112	K291 Y574 S578	K291-D576 IonicContact NZ-OD1 3.84Å; Y574-D576 PolarHBondContact O-N 3.42Å; D576-S578 PolarHBondContact O-N 2.53Å; D576-S578 VanDerWaalsContact O-N 3.14Å
577	R	37.8	Very low	42.3	Very low	222 Å²	222	107.2 Å²	107.2	84%	0.838	61%	0.607	S	S	*	*			trans	-86.1	88.4	-171.5	-70.9	-171.9	177.4	-164.1	-2.6	112	S575 G579	S575-R577 PolarHBondContact O-N 2.95Å; R577-G579 PolarHBondContact O-N 3.34Å
578	S	35.4	Very low	40.5	Very low	115 Å²	115	106.9 Å²	106.9	80%	0.804	62%	0.619	S	S	*	*			trans	-64.8	119.6	148.7	55.2	0	0	0	0	108.3	D576	D576-S578 PolarHBondContact O-N 2.53Å; D576-S578 VanDerWaalsContact O-N 3.14Å
579	G	32.5	Very low	39.2	Very low	76 Å²	76	108.8 Å²	108.8	78%	0.784	63%	0.626	S	S	*	*			trans	-54.2	138.2	-164.2	0	0	0	0	0	117	R577	R577-G579 PolarHBondContact O-N 3.34Å
580	S	27.7	Very low	38.2	Very low	109 Å²	109	110.1 Å²	110.1	76%	0.762	63%	0.629	S	S	*	*				-163.5	145.3	125.7	62.4	0	0	0	0	108.5	S582	S580-S582 PolarHBondContact O-N 2.97Å
581	S	35	Very low	37.2	Very low	125 Å²	125	111.7 Å²	111.7	87%	0.874	62%	0.624	S	S	*	*			trans	-67.8	107.6	177.9	48.2	0	0	0	0	111.1
582	S	25.8	Very low	36.6	Very low	94 Å²	94	103.9 Å²	103.9	66%	0.657	60%	0.597	S	S	*	*			trans	-155.9	143.2	153.9	50.8	0	0	0	0	109.9	S580	S580-S582 PolarHBondContact O-N 2.97Å
583	P	32.7	Very low	35.3	Very low	112 Å²	112	106.6 Å²	106.6	73%	0.727	62%	0.616	S	S	*	*			trans	-84.1	145.1	176.1	34.1	-28.7	0	0	0	109.8
584	D	32.5	Very low	34.1	Very low	150 Å²	150	109.7 Å²	109.7	80%	0.802	64%	0.639	S	S	*	*	S	Bend	trans	75.1	136.3	168	-60.6	-31.3	0	0	0	118.7
585	S	29	Very low	33.3	Very low	118 Å²	118	112.6 Å²	112.6	83%	0.825	66%	0.655	S	S	*	*	S	Bend	trans	89.6	124.6	170.7	72.5	0	0	0	0	117.9
586	E	29.4	Very low	32.4	Very low	189 Å²	189	116 Å²	116	88%	0.883	67%	0.668	S	S	*	*			trans	80.7	81.2	172.1	-57.3	-168.1	170.7	0	0	117.7
587	I	30.9	Very low	32.2	Very low	144 Å²	144	118.8 Å²	118.8	74%	0.738	68%	0.677	S	S	*	*			trans	-84.5	108.3	166.2	-58.3	174.6	0	0	0	107.6	E589	I587-E589 HydrophobicContact CG2-CG 4.35Å; I587-E589 PolarHBondContact O-N 2.71Å
588	T	30.1	Very low	31.8	Very low	117 Å²	117	119.5 Å²	119.5	72%	0.718	70%	0.698	S	S	*	*			trans	-78	117.2	166.2	-7.6	0	0	0	0	108.8
589	E	36.3	Very low	31.6	Very low	75 Å²	75	119.8 Å²	119.8	35%	0.35	69%	0.693	S	S	.	*			trans	-88.5	142.8	-164.9	-64.2	170.3	154.7	0	0	111.9	R567 I587 K591	R567-E589 IonicContact CZ-OE1 3.03Å; R567-E589 IonicContact NH1-OE1 2.71Å; R567-E589 PolarHBondContact NH1-OE1 3.02Å; R567-E589 IonicContact NH2-OE1 2.62Å; R567-E589 PolarHBondContact NH2-OE1 3.1Å; R567-E589 IonicContact NH2-OE2 3.83Å; I587-E589 HydrophobicContact CG2-CG 4.35Å; I587-E589 PolarHBondContact O-N 2.71Å; E589-K591 HydrophobicContact CB-CG 4.19Å; E589-K591 PolarHBondContact O-N 3.45Å; E589-K591 WeakPolarHBondContact OE2-CD 3.31Å; E589-K591 WeakPolarHBondContact OE2-CE 3.31Å; E589-K591 IonicContact OE2-NZ 3.51Å; E589-K591 PolarHBondContact OE2-NZ 2.62Å
590	L	33.9	Very low	31.6	Very low	79 Å²	79	122.1 Å²	122.1	41%	0.414	69%	0.688	S	S	.	*			trans	-68.4	81.8	151.9	-90.8	153.5	0	0	0	107.8	T573 Y574	T573-L590 HydrophobicContact CG2-CD1 3.89Å; Y574-L590 HydrophobicContact CD2-CD1 4.26Å
591	K	32	Very low	31.8	Very low	146 Å²	146	122.8 Å²	122.8	64%	0.635	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-88.6	125.9	160	-87.1	173.6	166.6	145	0	107.4	E589	E589-K591 HydrophobicContact CB-CG 4.19Å; E589-K591 PolarHBondContact O-N 3.45Å; E589-K591 WeakPolarHBondContact OE2-CD 3.31Å; E589-K591 WeakPolarHBondContact OE2-CE 3.31Å; E589-K591 IonicContact OE2-NZ 3.51Å; E589-K591 PolarHBondContact OE2-NZ 2.62Å
592	F	39.2	Very low	31.6	Very low	56 Å²	56	122.6 Å²	122.6	25%	0.246	67%	0.673	C	S	.	*	P	Polyproline II helix	trans	-56.1	138.4	162.5	-67	-88.2	0	0	0	107.8	K542 Y561 S594	K542-F592 HydrophobicContact CG-CD1 4.34Å; K542-F592 HydrophobicContact CG-CE1 4.3Å; Y561-F592 WeakPolarHBondContact OH-CE2 3.21Å; F592-S594 PolarHBondContact O-N 3.36Å
593	P	28.9	Very low	32	Very low	86 Å²	86	124.4 Å²	124.4	56%	0.558	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-60.5	125.4	-172.6	22.1	-30.8	0	0	0	110.1	I595	P593-I595 PolarHBondContact O-N 3.17Å
594	S	29.5	Very low	31.9	Very low	101 Å²	101	125.3 Å²	125.3	71%	0.706	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-64.4	120	157.9	46.6	0	0	0	0	107.2	F592 N596	F592-S594 PolarHBondContact O-N 3.36Å; S594-N596 PolarHBondContact O-N 2.9Å; S594-N596 VanDerWaalsContact O-N 3.14Å
595	I	35.1	Very low	31.9	Very low	85 Å²	85	123.5 Å²	123.5	44%	0.436	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-61.9	116.9	171.4	-58.1	170.6	0	0	0	106.2	Y480 P593 H597	Y480-I595 HydrophobicContact CD2-CD1 4.43Å; Y480-I595 HydrophobicContact CE2-CD1 3.8Å; Y480-I595 WeakPolarHBondContact OH-CG2 3.45Å; P593-I595 PolarHBondContact O-N 3.17Å; I595-H597 PolarHBondContact O-N 2.68Å
596	N	26.9	Very low	32.1	Very low	141 Å²	141	123.9 Å²	123.9	75%	0.754	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-62.6	125.3	175.8	-83.3	-18.7	0	0	0	108.3	S594 D598	S594-N596 PolarHBondContact O-N 2.9Å; S594-N596 VanDerWaalsContact O-N 3.14Å; N596-D598 PolarHBondContact O-N 3.19Å
597	H	35	Very low	32.3	Very low	154 Å²	154	118.5 Å²	118.5	71%	0.713	63%	0.628	S	S	*	*			trans	-70.7	106.1	165.8	-68.1	-67.9	0	0	0	108	I595	I595-H597 PolarHBondContact O-N 2.68Å
598	D	30.2	Very low	32.5	Very low	238 Å²	238	116.2 Å²	116.2	100%	1.273	62%	0.618	S	S	*	*			trans	-145.3	0	146.7	-85.6	-33.1	0	0	0	109.1	N596	N596-D598 PolarHBondContact O-N 3.19Å

Retrieved 598 of 598 residues in 220.6 ms (Link to these results)

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