A0A5K4FFD6_SCHMA Loading...

CDK5RAP1-like protein

AlphaFold DB , UniProt , Accession A0A5K4FFD6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 557 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	32.7	Very low	244 Å²	244	160.4 Å²	160.4	100%	1.202	86%	0.856	S	S	*	*				0	72.6	0	-73.9	-176.4	-174.5	0	0	111
2	I	36.3	Very low	32.7	Very low	159 Å²	159	156.4 Å²	156.4	82%	0.815	85%	0.851	S	S	*	*			trans	-145.7	104.9	160.2	-58.2	-178.2	0	0	0	105.9
3	G	30.4	Very low	32.6	Very low	75 Å²	75	154.2 Å²	154.2	77%	0.773	85%	0.846	S	S	*	*			trans	-79.9	127.9	-175.6	0	0	0	0	0	111.7	R5	G3-R5 PolarHBondContact O-N 3.47Å
4	F	33.3	Very low	32.7	Very low	203 Å²	203	148.1 Å²	148.1	89%	0.89	84%	0.835	S	S	*	*			trans	-80.3	113.9	169.1	-89.3	-92.5	0	0	0	109.5	T6	F4-T6 PolarHBondContact O-N 3.39Å
5	R	32.2	Very low	32.6	Very low	248 Å²	248	148.7 Å²	148.7	94%	0.936	83%	0.834	S	S	*	*			trans	-65.8	122.9	172.7	-97.4	177.8	167.2	175.6	-3.7	110.1	G3	G3-R5 PolarHBondContact O-N 3.47Å
6	T	30.8	Very low	32.4	Very low	129 Å²	129	153.5 Å²	153.5	79%	0.791	84%	0.835	S	S	*	*			trans	-75.2	119.9	165.2	40.6	0	0	0	0	109.6	F4	F4-T6 PolarHBondContact O-N 3.39Å
7	S	31.3	Very low	32.2	Very low	121 Å²	121	151.5 Å²	151.5	85%	0.846	83%	0.829	S	S	*	*			trans	-106.9	103	167.6	-174.3	0	0	0	0	107.9	G9	S7-G9 PolarHBondContact O-N 3.03Å
8	I	34	Very low	32.2	Very low	152 Å²	152	154.4 Å²	154.4	78%	0.779	83%	0.832	S	S	*	*			trans	-79.5	110.1	177.4	-68.3	166.2	0	0	0	107.5	K10	I8-K10 PolarHBondContact O-N 3.15Å
9	G	31.9	Very low	32.1	Very low	63 Å²	63	152.9 Å²	152.9	65%	0.649	83%	0.829	S	S	*	*			trans	-65.5	120.2	174.3	0	0	0	0	0	111.4	S7 I11	S7-G9 PolarHBondContact O-N 3.03Å; G9-I11 PolarHBondContact O-N 2.93Å
10	K	32.9	Very low	32.2	Very low	208 Å²	208	155.7 Å²	155.7	90%	0.904	83%	0.833	S	S	*	*			trans	-80	107.6	165	-81.6	-177.4	174.2	179.1	0	108.7	I8 S12	I8-K10 PolarHBondContact O-N 3.15Å; K10-S12 PolarHBondContact O-N 3.05Å
11	I	33.4	Very low	32.3	Very low	162 Å²	162	152.6 Å²	152.6	83%	0.831	83%	0.83	S	S	*	*			trans	-77	101.9	168.9	-65.1	165.3	0	0	0	106.9	G9	G9-I11 PolarHBondContact O-N 2.93Å
12	S	32.4	Very low	32.5	Very low	113 Å²	113	145.9 Å²	145.9	79%	0.79	81%	0.807	S	S	*	*			trans	-85.1	116	170.5	72.3	0	0	0	0	109.6	K10 G14	K10-S12 PolarHBondContact O-N 3.05Å; S12-G14 PolarHBondContact O-N 2.64Å
13	T	31.7	Very low	32.6	Very low	128 Å²	128	143.5 Å²	143.5	79%	0.785	80%	0.804	S	S	*	*			trans	-69.6	84.8	175.1	41.6	0	0	0	0	110.8	I15	T13-I15 PolarHBondContact O-N 3.03Å
14	G	33.9	Very low	33	Very low	68 Å²	68	148.1 Å²	148.1	70%	0.701	81%	0.81	S	S	*	*			trans	-76.5	97.6	170.2	0	0	0	0	0	110.9	S12 R16	S12-G14 PolarHBondContact O-N 2.64Å; G14-R16 PolarHBondContact O-N 3.2Å
15	I	30.3	Very low	33.5	Very low	158 Å²	158	143.8 Å²	143.8	81%	0.81	80%	0.803	S	S	*	*			trans	-65.2	98	169.4	-65.2	167.4	0	0	0	107.6	T13 T17	T13-I15 PolarHBondContact O-N 3.03Å; I15-T17 PolarHBondContact O-N 2.84Å
16	R	30.1	Very low	34.3	Very low	225 Å²	225	135.3 Å²	135.3	85%	0.849	79%	0.787	S	S	*	*			trans	-82.7	104	168.4	-89.1	-175.9	171.1	-172.4	-2.3	108.6	G14 F18	G14-R16 PolarHBondContact O-N 3.2Å; R16-F18 PolarHBondContact O-N 3.27Å; R16-F18 VanDerWaalsContact O-N 3.15Å
17	T	28.9	Very low	35.4	Very low	120 Å²	120	134.1 Å²	134.1	74%	0.736	78%	0.781	S	S	*	*			trans	-59.9	109	165.4	41.9	0	0	0	0	109.5	I15 T19	I15-T17 PolarHBondContact O-N 2.84Å; T17-T19 PolarHBondContact O-N 3.18Å; T17-T19 VanDerWaalsContact O-N 3.09Å
18	F	31.6	Very low	36.9	Very low	203 Å²	203	134.8 Å²	134.8	89%	0.89	77%	0.774	S	S	*	*			trans	-71.8	96.3	167.4	-80.7	-94.4	0	0	0	108.4	R16 K20	R16-F18 PolarHBondContact O-N 3.27Å; R16-F18 VanDerWaalsContact O-N 3.15Å; F18-K20 PolarHBondContact O-N 3.45Å
19	T	31.3	Very low	39.1	Very low	127 Å²	127	131.3 Å²	131.3	78%	0.779	75%	0.751	S	S	*	*			trans	-60.3	118.8	160	41.3	0	0	0	0	107.6	T17 A21	T17-T19 PolarHBondContact O-N 3.18Å; T17-T19 VanDerWaalsContact O-N 3.09Å; T19-A21 PolarHBondContact O-N 3.49Å
20	K	32.7	Very low	41.8	Very low	207 Å²	207	130.3 Å²	130.3	90%	0.9	73%	0.731	S	S	*	*			trans	-44.1	102.4	170.1	-88.3	176.7	171	176.6	0	108.8	F18 S22	F18-K20 PolarHBondContact O-N 3.45Å; K20-S22 PolarHBondContact O-N 3.47Å
21	A	35.6	Very low	44.8	Very low	92 Å²	92	124.8 Å²	124.8	76%	0.76	71%	0.707	S	S	*	*			trans	-63.6	111.5	163.7	0	0	0	0	0	105.7	T19 S23	T19-A21 PolarHBondContact O-N 3.49Å; A21-S23 PolarHBondContact O-N 3.08Å
22	S	36.7	Very low	47.8	Very low	103 Å²	103	117 Å²	117	72%	0.72	67%	0.667	S	S	*	*			trans	-43.2	124.7	165.8	50.4	0	0	0	0	108	K20 L24	K20-S22 PolarHBondContact O-N 3.47Å; S22-L24 PolarHBondContact O-N 3.23Å
23	S	38.6	Very low	50.9	Low	109 Å²	109	113.9 Å²	113.9	76%	0.762	64%	0.638	S	S	*	*			trans	-44.7	108	173.1	48.8	0	0	0	0	109	A21 C25	A21-S23 PolarHBondContact O-N 3.08Å; S23-C25 PolarHBondContact O-N 3.38Å
24	L	40.2	Very low	53.9	Low	172 Å²	172	108.5 Å²	108.5	90%	0.901	60%	0.604	S	S	*	*			trans	-61.3	83.3	160	-80.1	144	0	0	0	105.1	S22 A26	S22-L24 PolarHBondContact O-N 3.23Å; L24-A26 PolarHBondContact O-N 3.28Å
25	C	42.5	Very low	56.9	Low	111 Å²	111	106.3 Å²	106.3	75%	0.75	58%	0.576	S	S	*	*			trans	-61	110.3	171.5	-152.5	0	0	0	0	104	S23	S23-C25 PolarHBondContact O-N 3.38Å
26	A	50	Low	59.9	Low	71 Å²	71	100.8 Å²	100.8	59%	0.587	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-50	138.2	176	0	0	0	0	0	107.5	L24 I28	L24-A26 PolarHBondContact O-N 3.28Å; A26-I28 PolarHBondContact O-N 3.31Å
27	P	53.7	Low	62.9	Low	104 Å²	104	93 Å²	93	68%	0.675	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-51.1	130.8	179.1	19.8	-30.7	0	0	0	108.5	R29	P27-R29 WeakPolarHBondContact O-CG 2.93Å; P27-R29 PolarHBondContact O-N 3.49Å; P27-R29 VanDerWaalsContact O-N 3.08Å
28	I	63.4	Low	65.8	Low	135 Å²	135	89.3 Å²	89.3	69%	0.692	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-55.8	117.1	177.9	-61.5	172	0	0	0	106.5	A26 D30	A26-I28 PolarHBondContact O-N 3.31Å; I28-D30 HydrophobicContact CG2-CB 3.8Å; I28-D30 PolarHBondContact O-N 2.81Å
29	R	79.5	Confident	68.6	Low	79 Å²	79	81.8 Å²	81.8	30%	0.298	48%	0.479	S	S	.	.			trans	-94.4	70.6	-178.8	-65.9	-171.7	-174.8	158.8	-2.5	109.5	P27 D68 H164	P27-R29 WeakPolarHBondContact O-CG 2.93Å; P27-R29 PolarHBondContact O-N 3.49Å; P27-R29 VanDerWaalsContact O-N 3.08Å; R29-D68 WeakPolarHBondContact CA-OD2 3.47Å; R29-D68 HydrophobicContact CB-CB 3.9Å; R29-D68 HydrophobicContact CG-CB 4.4Å; R29-H164 WeakPolarHBondContact CD-ND1 3.16Å; R29-H164 PolarHBondContact NH1-ND1 3.46Å
30	D	88.1	Confident	71.4	Confident	41 Å²	41	79.3 Å²	79.3	22%	0.219	46%	0.458	C	S	.	.			trans	-105.8	-4.3	-172.9	60.4	7.4	0	0	0	113.6	I28 Y58 T59 D68	I28-D30 HydrophobicContact CG2-CB 3.8Å; I28-D30 PolarHBondContact O-N 2.81Å; D30-Y58 HydrophobicContact CB-CD1 4.32Å; D30-Y58 CarbonylContact O-C 3.53Å; D30-Y58 WeakPolarHBondContact O-CA 3.34Å; D30-Y58 WeakPolarHBondContact O-CB 3.45Å; D30-Y58 WeakPolarHBondContact O-CD1 3.25Å; D30-T59 PolarHBondContact O-N 3.21Å; D30-D68 PolarHBondContact N-OD2 2.97Å
31	K	96	Very high	74.2	Confident	92 Å²	92	69.9 Å²	69.9	40%	0.4	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	120.4	-175	-62.8	-175.8	-179.8	-177.5	0	111.8	T59 V61 Q66 D68 T69	K31-T59 CarbonylContact C-O 3.6Å; K31-T59 WeakPolarHBondContact CA-O 3.09Å; K31-V61 HydrophobicContact CB-CG1 3.98Å; K31-V61 HydrophobicContact CD-CG1 4.05Å; K31-V61 HydrophobicContact CG-CG1 4.08Å; K31-Q66 WeakPolarHBondContact CD-O 3.22Å; K31-D68 WeakPolarHBondContact CB-OD2 3.27Å; K31-D68 PolarHBondContact N-OD2 3.48Å; K31-D68 VanDerWaalsContact N-OD2 3.14Å; K31-D68 PolarHBondContact O-N 2.65Å; K31-T69 PolarHBondContact O-N 3.45Å; K31-T69 VanDerWaalsContact O-N 3.14Å
32	I	97	Very high	76.9	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.5	-177.5	-50.6	-62	0	0	0	110.2	I34 L53 Y58 T59 I60 V61 T69 L71 I160	I32-I34 HydrophobicContact CG2-CG1 4.08Å; I32-L53 HydrophobicContact CG2-CD1 4.15Å; I32-Y58 HydrophobicContact CD1-CD1 3.73Å; I32-Y58 HydrophobicContact CD1-CE1 4.22Å; I32-Y58 HydrophobicContact CD1-CG 4.44Å; I32-Y58 HydrophobicContact CG1-CD1 3.75Å; I32-Y58 HydrophobicContact CG1-CG 4.05Å; I32-T59 PolarHBondContact N-O 2.86Å; I32-I60 HydrophobicContact CB-CD1 3.66Å; I32-I60 HydrophobicContact CG1-CD1 4.34Å; I32-I60 HydrophobicContact CG2-CD1 4.04Å; I32-I60 CarbonylContact O-C 3.56Å; I32-I60 VanDerWaalsContact O-CA 3.25Å; I32-I60 WeakPolarHBondContact O-CA 3.47Å; I32-V61 WeakPolarHBondContact O-CG2 3.45Å; I32-V61 PolarHBondContact O-N 2.93Å; I32-T69 WeakPolarHBondContact CA-O 3.48Å; I32-T69 HydrophobicContact CD1-CG2 4.2Å; I32-L71 HydrophobicContact CG2-CD1 3.46Å; I32-L71 VanDerWaalsContact CG2-CD1 3.46Å; I32-L71 HydrophobicContact CG2-CG 3.71Å; I32-I160 HydrophobicContact CD1-CD1 3.93Å; I32-I160 HydrophobicContact CD1-CG2 4.3Å
33	Y	96.3	Very high	79.6	Confident	46 Å²	46	67 Å²	67	18%	0.18	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.7	168.9	174.1	-119.5	0	0	0	110.4	E35 V61 P62 D64 T69 V70 L71	Y33-E35 HydrophobicContact CD1-CG 3.96Å; Y33-E35 HydrophobicContact CE1-CG 3.2Å; Y33-E35 WeakPolarHBondContact CE1-OE1 3.43Å; Y33-E35 WeakPolarHBondContact OH-CG 3.49Å; Y33-E35 PolarHBondContact OH-OE1 2.9Å; Y33-E35 VanDerWaalsContact OH-OE1 3.12Å; Y33-V61 WeakPolarHBondContact CD2-O 3.29Å; Y33-P62 VanDerWaalsContact CE2-O 3.3Å; Y33-P62 WeakPolarHBondContact CE2-O 3.37Å; Y33-D64 VanDerWaalsContact CD1-CA 3.48Å; Y33-D64 HydrophobicContact CD1-CB 3.46Å; Y33-D64 VanDerWaalsContact CD1-CB 3.46Å; Y33-D64 HydrophobicContact CE1-CB 3.67Å; Y33-D64 HydrophobicContact CG-CB 4.32Å; Y33-T69 PolarHBondContact N-O 2.66Å; Y33-V70 HydrophobicContact CD1-CG1 4.19Å; Y33-V70 CarbonylContact O-C 3.56Å; Y33-V70 WeakPolarHBondContact O-CA 3.14Å; Y33-L71 PolarHBondContact O-N 2.84Å
34	I	96.5	Very high	82.1	Confident	16 Å²	16	62 Å²	62	8%	0.082	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.6	-175.4	-50.3	-177.9	0	0	0	110.7	I32 A46 H50 L53 I60 L71	I32-I34 HydrophobicContact CG2-CG1 4.08Å; I34-A46 HydrophobicContact CG2-CB 4.09Å; I34-H50 HydrophobicContact CD1-CB 4.26Å; I34-L53 HydrophobicContact CD1-CD1 4.47Å; I34-I60 HydrophobicContact CD1-CD1 4.09Å; I34-L71 WeakPolarHBondContact CA-O 3.25Å; I34-L71 HydrophobicContact CD1-CD1 4.41Å; I34-L71 HydrophobicContact CG1-CB 4.25Å; I34-L71 HydrophobicContact CG1-CD1 4.2Å; I34-L71 HydrophobicContact CG2-CB 4.46Å
35	E	95	Very high	84.7	Confident	21 Å²	21	53.9 Å²	53.9	10%	0.098	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.9	172.9	-61.5	-168.6	151.4	0	0	111.2	Y33 Y37 L71 L72 M73 R88	Y33-E35 HydrophobicContact CD1-CG 3.96Å; Y33-E35 HydrophobicContact CE1-CG 3.2Å; Y33-E35 WeakPolarHBondContact CE1-OE1 3.43Å; Y33-E35 WeakPolarHBondContact OH-CG 3.49Å; Y33-E35 PolarHBondContact OH-OE1 2.9Å; Y33-E35 VanDerWaalsContact OH-OE1 3.12Å; E35-Y37 HydrophobicContact CB-CD2 4.39Å; E35-Y37 HydrophobicContact CB-CE2 3.81Å; E35-Y37 PolarHBondContact OE2-OH 3.45Å; E35-L71 PolarHBondContact N-O 3.49Å; E35-L72 HydrophobicContact CB-CD2 3.93Å; E35-L72 HydrophobicContact CG-CD2 4.28Å; E35-L72 WeakPolarHBondContact OE2-CD2 3.31Å; E35-M73 PolarHBondContact O-N 2.91Å; E35-R88 IonicContact OE1-CZ 3.94Å; E35-R88 VanDerWaalsContact OE1-CZ 3.31Å; E35-R88 IonicContact OE1-NE 3.71Å; E35-R88 PolarHBondContact OE1-NE 3.17Å; E35-R88 IonicContact OE1-NH2 2.79Å; E35-R88 PolarHBondContact OE1-NH2 3.38Å; E35-R88 WeakPolarHBondContact OE2-CG 3.25Å; E35-R88 IonicContact OE2-CZ 3.51Å; E35-R88 IonicContact OE2-NE 3.66Å; E35-R88 PolarHBondContact OE2-NE 3.34Å; E35-R88 IonicContact OE2-NH2 2.79Å
36	V	94.2	Very high	87.2	Confident	43 Å²	43	48.6 Å²	48.6	26%	0.261	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.6	-177.9	-171.2	0	0	0	0	111.4	N42 R43 A46 M73	V36-N42 HydrophobicContact CG1-CB 3.83Å; V36-R43 HydrophobicContact CG1-CG 3.98Å; V36-A46 HydrophobicContact CG2-CB 3.46Å; V36-A46 VanDerWaalsContact CG2-CB 3.46Å; V36-M73 HydrophobicContact CG1-CB 4.43Å; V36-M73 HydrophobicContact CG1-CG 4.47Å; V36-M73 HydrophobicContact CG2-CB 4.28Å
37	Y	92.6	Very high	89.3	Confident	60 Å²	60	46.5 Å²	46.5	24%	0.235	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	88.3	174.8	-66.7	-87.9	0	0	0	110	E35 L72 M73 T74 C75 I85 R88	E35-Y37 HydrophobicContact CB-CD2 4.39Å; E35-Y37 HydrophobicContact CB-CE2 3.81Å; E35-Y37 PolarHBondContact OE2-OH 3.45Å; Y37-L72 HydrophobicContact CE2-CD2 4.23Å; Y37-M73 PolarHBondContact N-O 3.34Å; Y37-T74 CarbonylContact O-C 3.53Å; Y37-T74 WeakPolarHBondContact O-CA 3.37Å; Y37-C75 WeakPolarHBondContact O-CB 3.31Å; Y37-C75 PolarHBondContact O-N 3.12Å; Y37-I85 HydrophobicContact CD2-CG1 4.36Å; Y37-I85 HydrophobicContact CG-CG1 4.05Å; Y37-R88 HydrophobicContact CE2-CG 4.4Å; Y37-R88 WeakPolarHBondContact OH-CG 3.39Å
38	G	90.1	Very high	91.2	Very high	44 Å²	44	41.8 Å²	41.8	45%	0.454	21%	0.206	S	C	.	.	S	Bend	trans	166.3	-154.4	178.5	0	0	0	0	0	115.3	N42	G38-N42 WeakPolarHBondContact CA-OD1 3.38Å
39	C	90.4	Very high	92.8	Very high	45 Å²	45	35.4 Å²	35.4	30%	0.304	17%	0.174	S	C	.	.	S	Bend	trans	-88.1	-173.2	-176.5	66.3	0	0	0	0	112.4	M41 N42 R43	C39-M41 PolarHBondContact O-N 3.41Å; C39-N42 PolarHBondContact N-OD1 3.41Å; C39-N42 WeakPolarHBondContact O-CB 3.42Å; C39-N42 PolarHBondContact O-N 3.47Å; C39-R43 PolarHBondContact O-N 3.39Å; C39-R43 VanDerWaalsContact O-N 3.17Å
40	Q	90.3	Very high	93.5	Very high	74 Å²	74	33.5 Å²	33.5	35%	0.346	17%	0.168	S	C	.	.	H	α-helix	trans	-56.3	-37.4	176.3	-59.1	84.7	-20.7	0	0	111.4	N42 R43 S44 F205 L254	Q40-N42 PolarHBondContact O-N 2.92Å; Q40-R43 WeakPolarHBondContact O-CB 3.27Å; Q40-R43 PolarHBondContact O-N 2.81Å; Q40-S44 PolarHBondContact O-N 3.33Å; Q40-F205 HydrophobicContact CB-CD1 4.35Å; Q40-F205 HydrophobicContact CB-CE1 3.96Å; Q40-F205 HydrophobicContact CB-CE2 4.19Å; Q40-F205 HydrophobicContact CB-CZ 3.87Å; Q40-F205 HydrophobicContact CG-CE1 3.77Å; Q40-F205 HydrophobicContact CG-CE2 4.3Å; Q40-F205 HydrophobicContact CG-CZ 3.58Å; Q40-L254 HydrophobicContact CB-CD1 3.93Å; Q40-L254 HydrophobicContact CB-CD2 3.91Å
41	M	91.4	Very high	93.9	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.049	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-42.8	174.1	-70.1	-57.2	-61.3	0	0	112.2	C39 R43 S44 D45 L254	C39-M41 PolarHBondContact O-N 3.41Å; M41-R43 VanDerWaalsContact C-N 3.27Å; M41-R43 PolarHBondContact O-N 3.38Å; M41-S44 WeakPolarHBondContact O-CB 3.31Å; M41-S44 PolarHBondContact O-N 2.89Å; M41-D45 WeakPolarHBondContact O-CB 3.36Å; M41-D45 PolarHBondContact O-N 3.09Å; M41-D45 VanDerWaalsContact O-OD2 3.1Å; M41-L254 HydrophobicContact SD-CB 3.56Å; M41-L254 VanDerWaalsContact SD-CB 3.56Å; M41-L254 HydrophobicContact SD-CD1 3.99Å; M41-L254 HydrophobicContact SD-CG 4.4Å
42	N	93.2	Very high	93.9	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-66.7	-30.5	177.5	-68.6	115.1	0	0	0	112.3	V36 G38 C39 Q40 A46 M73 T74	V36-N42 HydrophobicContact CG1-CB 3.83Å; G38-N42 WeakPolarHBondContact CA-OD1 3.38Å; C39-N42 PolarHBondContact N-OD1 3.41Å; C39-N42 WeakPolarHBondContact O-CB 3.42Å; C39-N42 PolarHBondContact O-N 3.47Å; Q40-N42 PolarHBondContact O-N 2.92Å; N42-A46 WeakPolarHBondContact O-CB 3.44Å; N42-A46 PolarHBondContact O-N 3.16Å; N42-M73 HydrophobicContact CB-CG 4.17Å; N42-M73 VanDerWaalsContact O-CG 3.32Å; N42-M73 WeakPolarHBondContact O-CG 3.45Å; N42-T74 PolarHBondContact ND2-O 3.01Å
43	R	92.5	Very high	93.9	Very high	134 Å²	134	29.4 Å²	29.4	51%	0.506	15%	0.152	S	C	.	.	H	α-helix	trans	-68.5	-43.2	172.4	-66.6	-178	-179.7	-172.9	0	111.5	V36 C39 Q40 M41 A46 N47 F205	V36-R43 HydrophobicContact CG1-CG 3.98Å; C39-R43 PolarHBondContact O-N 3.39Å; C39-R43 VanDerWaalsContact O-N 3.17Å; Q40-R43 WeakPolarHBondContact O-CB 3.27Å; Q40-R43 PolarHBondContact O-N 2.81Å; M41-R43 VanDerWaalsContact C-N 3.27Å; M41-R43 PolarHBondContact O-N 3.38Å; R43-A46 PolarHBondContact O-N 2.97Å; R43-N47 PolarHBondContact O-N 2.87Å; R43-N47 PolarHBondContact O-OD1 3.18Å; R43-F205 HydrophobicContact CB-CE2 4.49Å
44	S	91.8	Very high	93.8	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.028	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-47.7	173.3	-178.3	0	0	0	0	111.4	Q40 M41 A46 N47 I48 S207	Q40-S44 PolarHBondContact O-N 3.33Å; M41-S44 WeakPolarHBondContact O-CB 3.31Å; M41-S44 PolarHBondContact O-N 2.89Å; S44-A46 VanDerWaalsContact C-N 3.28Å; S44-A46 PolarHBondContact O-N 2.93Å; S44-N47 WeakPolarHBondContact O-CB 3.14Å; S44-N47 PolarHBondContact O-N 3.28Å; S44-I48 PolarHBondContact O-N 3.49Å; S44-S207 PolarHBondContact OG-OG 2.75Å
45	D	94.8	Very high	93.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.3	-39.8	176.2	-67.7	-38.1	0	0	0	112.5	M41 N47 I48 A49 M73 Y153 R210 R225	M41-D45 WeakPolarHBondContact O-CB 3.36Å; M41-D45 PolarHBondContact O-N 3.09Å; M41-D45 VanDerWaalsContact O-OD2 3.1Å; D45-N47 VanDerWaalsContact C-N 3.29Å; D45-N47 PolarHBondContact O-N 3.35Å; D45-I48 PolarHBondContact O-N 3.11Å; D45-A49 WeakPolarHBondContact O-CB 3.3Å; D45-A49 PolarHBondContact O-N 2.89Å; D45-M73 HydrophobicContact CB-CE 3.99Å; D45-M73 HydrophobicContact CB-CG 4.35Å; D45-M73 HydrophobicContact CB-SD 3.86Å; D45-Y153 HydrophobicContact CB-CE2 3.66Å; D45-Y153 WeakPolarHBondContact CB-OH 3.4Å; D45-Y153 PolarHBondContact OD2-OH 3.47Å; D45-R210 IonicContact OD1-CZ 3.82Å; D45-R210 IonicContact OD1-NH1 2.7Å; D45-R210 IonicContact OD1-NH2 3.16Å; D45-R210 PolarHBondContact OD1-NH2 2.96Å; D45-R225 VanDerWaalsContact CG-NH1 3.33Å; D45-R225 IonicContact OD1-NH1 3.72Å; D45-R225 PolarHBondContact OD1-NH1 2.98Å; D45-R225 VanDerWaalsContact OD1-NH1 3.11Å; D45-R225 IonicContact OD2-CZ 2.74Å; D45-R225 IonicContact OD2-NH1 3.61Å; D45-R225 PolarHBondContact OD2-NH1 3.02Å; D45-R225 IonicContact OD2-NH2 3.18Å; D45-R225 PolarHBondContact OD2-NH2 2.85Å
46	A	94.8	Very high	93.8	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-35.5	176.7	0	0	0	0	0	112.1	I34 V36 N42 R43 S44 H50 M73	I34-A46 HydrophobicContact CG2-CB 4.09Å; V36-A46 HydrophobicContact CG2-CB 3.46Å; V36-A46 VanDerWaalsContact CG2-CB 3.46Å; N42-A46 WeakPolarHBondContact O-CB 3.44Å; N42-A46 PolarHBondContact O-N 3.16Å; R43-A46 PolarHBondContact O-N 2.97Å; S44-A46 VanDerWaalsContact C-N 3.28Å; S44-A46 PolarHBondContact O-N 2.93Å; A46-H50 WeakPolarHBondContact O-CB 3.46Å; A46-H50 PolarHBondContact O-N 3.4Å; A46-M73 HydrophobicContact CB-CB 4.38Å; A46-M73 HydrophobicContact CB-CG 4.24Å
47	N	93.2	Very high	93.8	Very high	26 Å²	26	40.6 Å²	40.6	14%	0.139	23%	0.228	C	C	.	.	H	α-helix	trans	-72.4	-34	176.3	-66.7	-5	0	0	0	112	R43 S44 D45 S51 P185 V186	R43-N47 PolarHBondContact O-N 2.87Å; R43-N47 PolarHBondContact O-OD1 3.18Å; S44-N47 WeakPolarHBondContact O-CB 3.14Å; S44-N47 PolarHBondContact O-N 3.28Å; D45-N47 VanDerWaalsContact C-N 3.29Å; D45-N47 PolarHBondContact O-N 3.35Å; N47-S51 PolarHBondContact O-N 2.93Å; N47-P185 HydrophobicContact CB-CB 3.78Å; N47-V186 VanDerWaalsContact CB-O 3.29Å; N47-V186 WeakPolarHBondContact CB-O 3.47Å; N47-V186 PolarHBondContact ND2-O 3.23Å; N47-V186 PolarHBondContact O-N 2.9Å
48	I	94.5	Very high	94	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-49.7	170.9	-68.1	166.8	0	0	0	109.9	S44 D45 H50 S51 L52 Y153 Y180 V183 P185	S44-I48 PolarHBondContact O-N 3.49Å; D45-I48 PolarHBondContact O-N 3.11Å; I48-H50 VanDerWaalsContact C-N 3.32Å; I48-H50 PolarHBondContact O-N 3Å; I48-S51 WeakPolarHBondContact O-CB 3.34Å; I48-S51 PolarHBondContact O-N 2.87Å; I48-S51 VanDerWaalsContact O-N 3.17Å; I48-L52 HydrophobicContact CG2-CD1 3.98Å; I48-L52 WeakPolarHBondContact O-CG 3.3Å; I48-L52 PolarHBondContact O-N 2.84Å; I48-Y153 HydrophobicContact CG2-CD2 4.35Å; I48-Y180 HydrophobicContact CD1-CD2 4.27Å; I48-Y180 HydrophobicContact CD1-CG 4.3Å; I48-Y180 HydrophobicContact CG2-CD1 3.6Å; I48-Y180 HydrophobicContact CG2-CD2 4.31Å; I48-Y180 HydrophobicContact CG2-CE1 4.01Å; I48-Y180 HydrophobicContact CG2-CG 3.75Å; I48-V183 HydrophobicContact CG2-CG1 4.21Å; I48-P185 HydrophobicContact CG1-CB 4.44Å; I48-P185 HydrophobicContact CG1-CG 4.24Å
49	A	96.4	Very high	94.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-43	177.4	0	0	0	0	0	111.7	D45 L52 L53 M73 L156	D45-A49 WeakPolarHBondContact O-CB 3.3Å; D45-A49 PolarHBondContact O-N 2.89Å; A49-L52 PolarHBondContact O-N 2.76Å; A49-L53 WeakPolarHBondContact O-CB 3.43Å; A49-L53 WeakPolarHBondContact O-CD1 3.21Å; A49-L53 WeakPolarHBondContact O-CG 3.12Å; A49-L53 PolarHBondContact O-N 3.14Å; A49-M73 HydrophobicContact CB-CE 4.22Å; A49-L156 HydrophobicContact CB-CD1 3.64Å
50	H	95.3	Very high	94.3	Very high	40 Å²	40	40.7 Å²	40.7	19%	0.185	22%	0.219	C	C	.	.	H	α-helix	trans	-54.6	-53.6	172.5	-171.2	151.5	0	0	0	110.7	I34 A46 I48 L52 L53 T54 I60 V186	I34-H50 HydrophobicContact CD1-CB 4.26Å; A46-H50 WeakPolarHBondContact O-CB 3.46Å; A46-H50 PolarHBondContact O-N 3.4Å; I48-H50 VanDerWaalsContact C-N 3.32Å; I48-H50 PolarHBondContact O-N 3Å; H50-L52 PolarHBondContact O-N 2.94Å; H50-L53 PolarHBondContact O-N 2.9Å; H50-L53 VanDerWaalsContact O-N 3.17Å; H50-T54 PolarHBondContact CD2-OG1 3.16Å; H50-T54 VanDerWaalsContact CD2-OG1 3.25Å; H50-T54 PolarHBondContact O-N 2.79Å; H50-T54 PolarHBondContact O-OG1 2.9Å; H50-I60 HydrophobicContact CB-CG1 4.48Å; H50-I60 WeakPolarHBondContact CD2-CG1 3.49Å; H50-I60 VanDerWaalsContact NE2-CG1 3.26Å; H50-I60 WeakPolarHBondContact NE2-CG1 3.37Å; H50-V186 HydrophobicContact CB-CB 4.15Å; H50-V186 HydrophobicContact CB-CG2 4.17Å
51	S	94.8	Very high	94.5	Very high	24 Å²	24	37.8 Å²	37.8	17%	0.168	21%	0.206	C	C	.	.	H	α-helix	trans	-56.1	-47.8	-178.7	-173.2	0	0	0	0	112.7	N47 I48 L53 T54 K55 T184	N47-S51 PolarHBondContact O-N 2.93Å; I48-S51 WeakPolarHBondContact O-CB 3.34Å; I48-S51 PolarHBondContact O-N 2.87Å; I48-S51 VanDerWaalsContact O-N 3.17Å; S51-L53 VanDerWaalsContact C-N 3.34Å; S51-L53 PolarHBondContact O-N 2.85Å; S51-T54 PolarHBondContact O-N 2.83Å; S51-K55 WeakPolarHBondContact O-CB 3.38Å; S51-K55 PolarHBondContact O-N 3.38Å; S51-T184 VanDerWaalsContact CB-O 3.22Å; S51-T184 WeakPolarHBondContact CB-O 3.44Å; S51-T184 PolarHBondContact OG-O 2.89Å
52	L	96.8	Very high	94.4	Very high	22 Å²	22	42.3 Å²	42.3	12%	0.115	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-41.1	178.5	-69.6	169.6	0	0	0	112.4	I48 A49 H50 A56 R154 Y180 V183	I48-L52 HydrophobicContact CG2-CD1 3.98Å; I48-L52 WeakPolarHBondContact O-CG 3.3Å; I48-L52 PolarHBondContact O-N 2.84Å; A49-L52 PolarHBondContact O-N 2.76Å; H50-L52 PolarHBondContact O-N 2.94Å; L52-A56 WeakPolarHBondContact O-CB 3.39Å; L52-A56 PolarHBondContact O-N 2.92Å; L52-A56 VanDerWaalsContact O-N 3.1Å; L52-R154 HydrophobicContact CD1-CG 4.23Å; L52-R154 HydrophobicContact CD2-CG 4.36Å; L52-Y180 HydrophobicContact CD1-CD1 4.29Å; L52-Y180 HydrophobicContact CD1-CE1 4.04Å; L52-V183 HydrophobicContact CD2-CG1 4.34Å; L52-V183 HydrophobicContact CD2-CG2 3.86Å; L52-V183 HydrophobicContact CG-CG1 4.22Å; L52-V183 HydrophobicContact CG-CG2 4.43Å
53	L	97.1	Very high	94.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-70.3	-43.7	179.4	-72.6	170.3	0	0	0	112.1	I32 I34 A49 H50 S51 K55 A56 G57 Y58 I60 L71 L156 P157 I160	I32-L53 HydrophobicContact CG2-CD1 4.15Å; I34-L53 HydrophobicContact CD1-CD1 4.47Å; A49-L53 WeakPolarHBondContact O-CB 3.43Å; A49-L53 WeakPolarHBondContact O-CD1 3.21Å; A49-L53 WeakPolarHBondContact O-CG 3.12Å; A49-L53 PolarHBondContact O-N 3.14Å; H50-L53 PolarHBondContact O-N 2.9Å; H50-L53 VanDerWaalsContact O-N 3.17Å; S51-L53 VanDerWaalsContact C-N 3.34Å; S51-L53 PolarHBondContact O-N 2.85Å; L53-K55 VanDerWaalsContact C-N 3.33Å; L53-K55 PolarHBondContact O-N 2.63Å; L53-A56 CarbonylContact O-C 3.59Å; L53-A56 WeakPolarHBondContact O-CA 3.27Å; L53-A56 PolarHBondContact O-N 3.08Å; L53-G57 PolarHBondContact O-N 3.36Å; L53-Y58 HydrophobicContact CB-CD2 4.35Å; L53-Y58 HydrophobicContact CD2-CD2 3.73Å; L53-Y58 HydrophobicContact CD2-CE2 4.11Å; L53-Y58 HydrophobicContact CD2-CG 4.18Å; L53-Y58 WeakPolarHBondContact O-CB 3.33Å; L53-Y58 WeakPolarHBondContact O-CD2 3.43Å; L53-Y58 PolarHBondContact O-N 3.23Å; L53-I60 HydrophobicContact CB-CD1 4.31Å; L53-I60 HydrophobicContact CD1-CD1 4.33Å; L53-L71 HydrophobicContact CD1-CD1 3.54Å; L53-L156 HydrophobicContact CD1-CD1 4.46Å; L53-L156 HydrophobicContact CD2-CB 4.02Å; L53-P157 HydrophobicContact CD2-CG 4.42Å; L53-I160 HydrophobicContact CD1-CD1 4.49Å; L53-I160 HydrophobicContact CD2-CD1 3.45Å; L53-I160 VanDerWaalsContact CD2-CD1 3.45Å
54	T	94.8	Very high	94.1	Very high	71 Å²	71	37.6 Å²	37.6	44%	0.436	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-42	175	-62.4	0	0	0	0	111.5	H50 S51 A56 G57 Y58	H50-T54 PolarHBondContact CD2-OG1 3.16Å; H50-T54 VanDerWaalsContact CD2-OG1 3.25Å; H50-T54 PolarHBondContact O-N 2.79Å; H50-T54 PolarHBondContact O-OG1 2.9Å; S51-T54 PolarHBondContact O-N 2.83Å; T54-A56 PolarHBondContact O-N 3.13Å; T54-G57 PolarHBondContact O-N 3.24Å; T54-Y58 WeakPolarHBondContact CA-O 3.27Å
55	K	94.5	Very high	94	Very high	186 Å²	186	43.7 Å²	43.7	81%	0.809	25%	0.251	S	S	*	.	H	α-helix	trans	-61.8	-30.7	174	-173.9	176.5	179.9	178.2	0	112.6	S51 L53 G57	S51-K55 WeakPolarHBondContact O-CB 3.38Å; S51-K55 PolarHBondContact O-N 3.38Å; L53-K55 VanDerWaalsContact C-N 3.33Å; L53-K55 PolarHBondContact O-N 2.63Å; K55-G57 VanDerWaalsContact C-N 3.29Å
56	A	95.5	Very high	93.7	Very high	51 Å²	51	48.7 Å²	48.7	42%	0.421	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	2.5	175.6	0	0	0	0	0	114.1	L52 L53 T54 Y58 P157	L52-A56 WeakPolarHBondContact O-CB 3.39Å; L52-A56 PolarHBondContact O-N 2.92Å; L52-A56 VanDerWaalsContact O-N 3.1Å; L53-A56 CarbonylContact O-C 3.59Å; L53-A56 WeakPolarHBondContact O-CA 3.27Å; L53-A56 PolarHBondContact O-N 3.08Å; T54-A56 PolarHBondContact O-N 3.13Å; A56-Y58 HydrophobicContact CB-CD2 4.01Å; A56-Y58 HydrophobicContact CB-CE2 4.14Å; A56-P157 HydrophobicContact CB-CB 3.98Å; A56-P157 HydrophobicContact CB-CG 3.6Å
57	G	94.9	Very high	93.6	Very high	53 Å²	53	48.9 Å²	48.9	55%	0.546	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	6.9	176.3	0	0	0	0	0	115.5	L53 T54 K55	L53-G57 PolarHBondContact O-N 3.36Å; T54-G57 PolarHBondContact O-N 3.24Å; K55-G57 VanDerWaalsContact C-N 3.29Å
58	Y	96.3	Very high	93.7	Very high	37 Å²	37	49.6 Å²	49.6	15%	0.145	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-81.4	147.1	175.2	-66.3	-87.6	0	0	0	112	D30 I32 L53 T54 A56 P157 I160	D30-Y58 HydrophobicContact CB-CD1 4.32Å; D30-Y58 CarbonylContact O-C 3.53Å; D30-Y58 WeakPolarHBondContact O-CA 3.34Å; D30-Y58 WeakPolarHBondContact O-CB 3.45Å; D30-Y58 WeakPolarHBondContact O-CD1 3.25Å; I32-Y58 HydrophobicContact CD1-CD1 3.73Å; I32-Y58 HydrophobicContact CD1-CE1 4.22Å; I32-Y58 HydrophobicContact CD1-CG 4.44Å; I32-Y58 HydrophobicContact CG1-CD1 3.75Å; I32-Y58 HydrophobicContact CG1-CG 4.05Å; L53-Y58 HydrophobicContact CB-CD2 4.35Å; L53-Y58 HydrophobicContact CD2-CD2 3.73Å; L53-Y58 HydrophobicContact CD2-CE2 4.11Å; L53-Y58 HydrophobicContact CD2-CG 4.18Å; L53-Y58 WeakPolarHBondContact O-CB 3.33Å; L53-Y58 WeakPolarHBondContact O-CD2 3.43Å; L53-Y58 PolarHBondContact O-N 3.23Å; T54-Y58 WeakPolarHBondContact CA-O 3.27Å; A56-Y58 HydrophobicContact CB-CD2 4.01Å; A56-Y58 HydrophobicContact CB-CE2 4.14Å; Y58-P157 HydrophobicContact CE2-CB 4.02Å; Y58-P157 PolarHBondContact OH-O 3.25Å; Y58-I160 HydrophobicContact CE1-CB 4.47Å; Y58-I160 HydrophobicContact CE1-CG2 3.69Å
59	T	95.1	Very high	93.8	Very high	73 Å²	73	49.3 Å²	49.3	45%	0.448	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.8	175.9	-61.1	0	0	0	0	110.2	D30 K31 I32	D30-T59 PolarHBondContact O-N 3.21Å; K31-T59 CarbonylContact C-O 3.6Å; K31-T59 WeakPolarHBondContact CA-O 3.09Å; I32-T59 PolarHBondContact N-O 2.86Å
60	I	93.3	Very high	93.8	Very high	41 Å²	41	49.3 Å²	49.3	21%	0.21	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.1	174.1	-52.2	-49.3	0	0	0	109.8	I32 I34 H50 L53	I32-I60 HydrophobicContact CB-CD1 3.66Å; I32-I60 HydrophobicContact CG1-CD1 4.34Å; I32-I60 HydrophobicContact CG2-CD1 4.04Å; I32-I60 CarbonylContact O-C 3.56Å; I32-I60 VanDerWaalsContact O-CA 3.25Å; I32-I60 WeakPolarHBondContact O-CA 3.47Å; I34-I60 HydrophobicContact CD1-CD1 4.09Å; H50-I60 HydrophobicContact CB-CG1 4.48Å; H50-I60 WeakPolarHBondContact CD2-CG1 3.49Å; H50-I60 VanDerWaalsContact NE2-CG1 3.26Å; H50-I60 WeakPolarHBondContact NE2-CG1 3.37Å; L53-I60 HydrophobicContact CB-CD1 4.31Å; L53-I60 HydrophobicContact CD1-CD1 4.33Å
61	V	93.9	Very high	93.9	Very high	14 Å²	14	47.4 Å²	47.4	9%	0.085	27%	0.269	C	S	.	.			trans	-104.3	156.3	179.9	-64.7	0	0	0	0	111.4	K31 I32 Y33 S63 Q66 C67	K31-V61 HydrophobicContact CB-CG1 3.98Å; K31-V61 HydrophobicContact CD-CG1 4.05Å; K31-V61 HydrophobicContact CG-CG1 4.08Å; I32-V61 WeakPolarHBondContact O-CG2 3.45Å; I32-V61 PolarHBondContact O-N 2.93Å; Y33-V61 WeakPolarHBondContact CD2-O 3.29Å; V61-S63 WeakPolarHBondContact CG2-O 3.49Å; V61-S63 PolarHBondContact O-N 3.33Å; V61-Q66 HydrophobicContact CB-CB 4.12Å; V61-Q66 HydrophobicContact CG1-CB 4.39Å; V61-Q66 HydrophobicContact CG2-CB 4.1Å; V61-C67 HydrophobicContact CG2-CB 3.65Å
62	P	88.6	Confident	94	Very high	105 Å²	105	46.2 Å²	46.2	68%	0.682	26%	0.261	S	S	*	.	S	Bend	trans	-80.3	-12.4	-172.6	31.6	-36.6	0	0	0	114.5	Y33	Y33-P62 VanDerWaalsContact CE2-O 3.3Å; Y33-P62 WeakPolarHBondContact CE2-O 3.37Å
63	S	91.3	Very high	94	Very high	24 Å²	24	45.2 Å²	45.2	17%	0.168	26%	0.256	C	S	.	.	S	Bend	trans	-143	156.1	-176	86.9	0	0	0	0	112.4	V61 E65 Q66	V61-S63 WeakPolarHBondContact CG2-O 3.49Å; V61-S63 PolarHBondContact O-N 3.33Å; S63-E65 VanDerWaalsContact C-N 3.29Å; S63-E65 WeakPolarHBondContact CB-OE2 3.47Å; S63-E65 PolarHBondContact O-N 3.11Å; S63-E65 PolarHBondContact OG-OE2 3.18Å; S63-Q66 PolarHBondContact O-N 2.78Å; S63-Q66 PolarHBondContact OG-NE2 3.44Å
64	D	87.7	Confident	94	Very high	11 Å²	11	45.2 Å²	45.2	6%	0.059	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-69	-28.2	179.7	55.1	-23.2	0	0	0	111.9	Y33 Q66 C67 V70 R88 L92 R97	Y33-D64 VanDerWaalsContact CD1-CA 3.48Å; Y33-D64 HydrophobicContact CD1-CB 3.46Å; Y33-D64 VanDerWaalsContact CD1-CB 3.46Å; Y33-D64 HydrophobicContact CE1-CB 3.67Å; Y33-D64 HydrophobicContact CG-CB 4.32Å; D64-Q66 PolarHBondContact O-N 3.46Å; D64-Q66 VanDerWaalsContact O-N 3.15Å; D64-C67 PolarHBondContact O-N 2.99Å; D64-C67 PolarHBondContact O-SG 3.48Å; D64-V70 HydrophobicContact CB-CG2 4.04Å; D64-R88 IonicContact OD1-NH2 3.55Å; D64-R88 IonicContact OD2-CZ 3.97Å; D64-R88 IonicContact OD2-NH1 3.77Å; D64-R88 IonicContact OD2-NH2 3.44Å; D64-R88 PolarHBondContact OD2-NH2 2.94Å; D64-L92 HydrophobicContact CB-CD2 4.46Å; D64-L92 WeakPolarHBondContact OD2-CD2 3.47Å; D64-R97 PolarHBondContact O-NH1 3.43Å; D64-R97 PolarHBondContact O-NH2 3.5Å
65	E	89.5	Confident	93.7	Very high	133 Å²	133	42.3 Å²	42.3	62%	0.621	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-61.4	-24.5	179.6	-56.6	83.8	180	0	0	113.1	S63 R97	S63-E65 VanDerWaalsContact C-N 3.29Å; S63-E65 WeakPolarHBondContact CB-OE2 3.47Å; S63-E65 PolarHBondContact O-N 3.11Å; S63-E65 PolarHBondContact OG-OE2 3.18Å; E65-R97 PolarHBondContact O-NH2 2.85Å
66	Q	88.5	Confident	93.2	Very high	105 Å²	105	33.4 Å²	33.4	49%	0.491	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-98.7	-1.2	-175.5	-61.1	176.6	52.4	0	0	113.9	K31 V61 S63 D64	K31-Q66 WeakPolarHBondContact CD-O 3.22Å; V61-Q66 HydrophobicContact CB-CB 4.12Å; V61-Q66 HydrophobicContact CG1-CB 4.39Å; V61-Q66 HydrophobicContact CG2-CB 4.1Å; S63-Q66 PolarHBondContact O-N 2.78Å; S63-Q66 PolarHBondContact OG-NE2 3.44Å; D64-Q66 PolarHBondContact O-N 3.46Å; D64-Q66 VanDerWaalsContact O-N 3.15Å
67	C	93.7	Very high	92.5	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.034	20%	0.197	C	C	.	.			trans	-100.8	156.7	-173.3	77.9	0	0	0	0	114.2	V61 D64 T69 V70 R97	V61-C67 HydrophobicContact CG2-CB 3.65Å; D64-C67 PolarHBondContact O-N 2.99Å; D64-C67 PolarHBondContact O-SG 3.48Å; C67-T69 PolarHBondContact SG-O 3.07Å; C67-V70 WeakPolarHBondContact SG-CG2 3.35Å; C67-R97 PolarHBondContact O-NH2 2.96Å
68	D	94.7	Very high	92	Very high	40 Å²	40	37.1 Å²	37.1	21%	0.214	19%	0.191	C	C	.	.	S	Bend	trans	-92.7	-26.9	166.3	-58.5	-64.4	0	0	0	111.7	R29 D30 K31 V100 K101 H164	R29-D68 WeakPolarHBondContact CA-OD2 3.47Å; R29-D68 HydrophobicContact CB-CB 3.9Å; R29-D68 HydrophobicContact CG-CB 4.4Å; D30-D68 PolarHBondContact N-OD2 2.97Å; K31-D68 WeakPolarHBondContact CB-OD2 3.27Å; K31-D68 PolarHBondContact N-OD2 3.48Å; K31-D68 VanDerWaalsContact N-OD2 3.14Å; K31-D68 PolarHBondContact O-N 2.65Å; D68-V100 VanDerWaalsContact O-CA 3.25Å; D68-V100 WeakPolarHBondContact O-CA 3.47Å; D68-K101 PolarHBondContact O-N 3.41Å; D68-H164 PolarHBondContact O-CE1 3.19Å; D68-H164 VanDerWaalsContact O-CE1 3.26Å
69	T	96.6	Very high	91.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	133.1	174.4	-68.4	0	0	0	0	111.5	K31 I32 Y33 C67 L71 K101 F146 I160 H164	K31-T69 PolarHBondContact O-N 3.45Å; K31-T69 VanDerWaalsContact O-N 3.14Å; I32-T69 WeakPolarHBondContact CA-O 3.48Å; I32-T69 HydrophobicContact CD1-CG2 4.2Å; Y33-T69 PolarHBondContact N-O 2.66Å; C67-T69 PolarHBondContact SG-O 3.07Å; T69-L71 HydrophobicContact CG2-CD2 3.66Å; T69-L71 HydrophobicContact CG2-CG 4.2Å; T69-K101 CarbonylContact C-O 3.41Å; T69-K101 VanDerWaalsContact CA-O 3.31Å; T69-K101 WeakPolarHBondContact CA-O 3.41Å; T69-K101 HydrophobicContact CG2-CB 4.38Å; T69-F146 HydrophobicContact CG2-CE1 4.23Å; T69-F146 HydrophobicContact CG2-CZ 4.25Å; T69-I160 HydrophobicContact CG2-CG1 4.4Å; T69-H164 PolarHBondContact OG1-NE2 2.94Å
70	V	96.7	Very high	90.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.5	169.3	-178	0	0	0	0	109.4	Y33 D64 C67 L72 L92 V100 K101 I102 G103	Y33-V70 HydrophobicContact CD1-CG1 4.19Å; Y33-V70 CarbonylContact O-C 3.56Å; Y33-V70 WeakPolarHBondContact O-CA 3.14Å; D64-V70 HydrophobicContact CB-CG2 4.04Å; C67-V70 WeakPolarHBondContact SG-CG2 3.35Å; V70-L72 HydrophobicContact CG1-CD2 3.76Å; V70-L72 HydrophobicContact CG1-CG 4.43Å; V70-L92 HydrophobicContact CB-CD1 4.33Å; V70-L92 HydrophobicContact CG1-CD1 3.81Å; V70-L92 HydrophobicContact CG2-CD2 4.29Å; V70-V100 HydrophobicContact CG2-CG1 3.96Å; V70-K101 PolarHBondContact N-O 2.79Å; V70-I102 WeakPolarHBondContact O-CA 3.24Å; V70-G103 PolarHBondContact O-N 3.16Å
71	L	98.1	Very high	90.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119	174	-57.6	-178.9	0	0	0	110.1	I32 Y33 I34 E35 L53 T69 G103 L105 F146	I32-L71 HydrophobicContact CG2-CD1 3.46Å; I32-L71 VanDerWaalsContact CG2-CD1 3.46Å; I32-L71 HydrophobicContact CG2-CG 3.71Å; Y33-L71 PolarHBondContact O-N 2.84Å; I34-L71 WeakPolarHBondContact CA-O 3.25Å; I34-L71 HydrophobicContact CD1-CD1 4.41Å; I34-L71 HydrophobicContact CG1-CB 4.25Å; I34-L71 HydrophobicContact CG1-CD1 4.2Å; I34-L71 HydrophobicContact CG2-CB 4.46Å; E35-L71 PolarHBondContact N-O 3.49Å; L53-L71 HydrophobicContact CD1-CD1 3.54Å; T69-L71 HydrophobicContact CG2-CD2 3.66Å; T69-L71 HydrophobicContact CG2-CG 4.2Å; L71-G103 WeakPolarHBondContact CA-O 3.39Å; L71-L105 HydrophobicContact CB-CD1 3.95Å; L71-L105 HydrophobicContact CB-CG 4.42Å; L71-L105 HydrophobicContact CD1-CD1 4.07Å; L71-L105 HydrophobicContact CD2-CD1 4.38Å; L71-L105 HydrophobicContact CG-CD1 4.36Å; L71-F146 HydrophobicContact CD2-CE2 4.02Å; L71-F146 HydrophobicContact CD2-CZ 3.52Å
72	L	97.2	Very high	90.2	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	-97.7	107.2	174.8	-53.1	-176.8	0	0	0	108.7	E35 Y37 V70 T74 I85 R88 I89 L92 I102 G103 V104 L105	E35-L72 HydrophobicContact CB-CD2 3.93Å; E35-L72 HydrophobicContact CG-CD2 4.28Å; E35-L72 WeakPolarHBondContact OE2-CD2 3.31Å; Y37-L72 HydrophobicContact CE2-CD2 4.23Å; V70-L72 HydrophobicContact CG1-CD2 3.76Å; V70-L72 HydrophobicContact CG1-CG 4.43Å; L72-T74 HydrophobicContact CB-CG2 4.07Å; L72-T74 WeakPolarHBondContact O-CG2 3.17Å; L72-T74 PolarHBondContact O-N 3.46Å; L72-I85 HydrophobicContact CD1-CG2 4.38Å; L72-R88 HydrophobicContact CD1-CG 4.43Å; L72-R88 HydrophobicContact CD2-CG 4.28Å; L72-I89 HydrophobicContact CD1-CD1 4.33Å; L72-I89 HydrophobicContact CD1-CG1 3.58Å; L72-L92 HydrophobicContact CD1-CD1 4.41Å; L72-L92 HydrophobicContact CD2-CD1 4.28Å; L72-I102 HydrophobicContact CD1-CG2 4.39Å; L72-G103 PolarHBondContact N-O 3.23Å; L72-V104 HydrophobicContact CD1-CG2 4.46Å; L72-L105 PolarHBondContact O-N 3.02Å
73	M	96.9	Very high	90.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	108.6	175.4	-173.9	58.9	70.5	0	0	110.7	E35 V36 Y37 N42 D45 A46 A49 L105 Y153	E35-M73 PolarHBondContact O-N 2.91Å; V36-M73 HydrophobicContact CG1-CB 4.43Å; V36-M73 HydrophobicContact CG1-CG 4.47Å; V36-M73 HydrophobicContact CG2-CB 4.28Å; Y37-M73 PolarHBondContact N-O 3.34Å; N42-M73 HydrophobicContact CB-CG 4.17Å; N42-M73 VanDerWaalsContact O-CG 3.32Å; N42-M73 WeakPolarHBondContact O-CG 3.45Å; D45-M73 HydrophobicContact CB-CE 3.99Å; D45-M73 HydrophobicContact CB-CG 4.35Å; D45-M73 HydrophobicContact CB-SD 3.86Å; A46-M73 HydrophobicContact CB-CB 4.38Å; A46-M73 HydrophobicContact CB-CG 4.24Å; A49-M73 HydrophobicContact CB-CE 4.22Å; M73-L105 HydrophobicContact CE-CB 3.65Å; M73-L105 HydrophobicContact CE-CD1 3.63Å; M73-L105 HydrophobicContact CE-CG 4.3Å; M73-L105 HydrophobicContact SD-CB 3.72Å; M73-Y153 HydrophobicContact CE-CD1 4.44Å; M73-Y153 HydrophobicContact CE-CE1 3.72Å; M73-Y153 HydrophobicContact SD-CE1 4.17Å; M73-Y153 PolarHBondContact SD-OH 3.4Å
74	T	95.3	Very high	90.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	147.2	-160.8	63.8	0	0	0	0	115.2	Y37 N42 L72 I85 V104 L105 C107 M108	Y37-T74 CarbonylContact O-C 3.53Å; Y37-T74 WeakPolarHBondContact O-CA 3.37Å; N42-T74 PolarHBondContact ND2-O 3.01Å; L72-T74 HydrophobicContact CB-CG2 4.07Å; L72-T74 WeakPolarHBondContact O-CG2 3.17Å; L72-T74 PolarHBondContact O-N 3.46Å; T74-I85 VanDerWaalsContact CB-CD1 3.46Å; T74-I85 HydrophobicContact CG2-CB 4.42Å; T74-I85 HydrophobicContact CG2-CD1 3.37Å; T74-I85 HydrophobicContact CG2-CG1 3.73Å; T74-I85 HydrophobicContact CG2-CG2 3.83Å; T74-V104 HydrophobicContact CG2-CG1 3.93Å; T74-L105 WeakPolarHBondContact CB-O 3.34Å; T74-L105 PolarHBondContact N-O 2.94Å; T74-L105 PolarHBondContact OG1-O 3.26Å; T74-C107 PolarHBondContact O-N 3.38Å; T74-M108 WeakPolarHBondContact OG1-CB 3.15Å; T74-M108 PolarHBondContact OG1-N 2.81Å
75	C	89.7	Confident	90.3	Very high	10 Å²	10	39.3 Å²	39.3	7%	0.068	20%	0.198	C	C	.	.			trans	-92.8	151.7	166.6	-171.7	0	0	0	0	110.9	Y37 I77	Y37-C75 WeakPolarHBondContact O-CB 3.31Å; Y37-C75 PolarHBondContact O-N 3.12Å; C75-I77 VanDerWaalsContact SG-CG1 3.54Å; C75-I77 PolarHBondContact SG-N 3.42Å; C75-I77 VanDerWaalsContact SG-N 3.42Å
76	A	83	Confident	90.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.			trans	-118.2	4.4	175.1	0	0	0	0	0	113.5	C107 M108	A76-C107 HydrophobicContact CB-CB 3.59Å; A76-M108 HydrophobicContact CB-CB 4.43Å
77	I	82.5	Confident	90.6	Very high	73 Å²	73	37.8 Å²	37.8	37%	0.374	18%	0.182	S	C	.	.	S	Bend	trans	-74.6	-37.7	-169.8	-61.7	173.1	0	0	0	110.9	C75 I220 V221	C75-I77 VanDerWaalsContact SG-CG1 3.54Å; C75-I77 PolarHBondContact SG-N 3.42Å; C75-I77 VanDerWaalsContact SG-N 3.42Å; I77-I220 HydrophobicContact CG1-CG2 4.36Å; I77-V221 HydrophobicContact CD1-CG2 4.07Å; I77-V221 HydrophobicContact CG1-CG2 4.27Å
78	R	82.7	Confident	90.5	Very high	109 Å²	109	39.4 Å²	39.4	41%	0.411	19%	0.187	S	C	.	.			trans	-120.7	142.3	-172.2	-54.9	-177.9	-162.5	161.6	4.7	111.9	A81 E82 F415	R78-A81 HydrophobicContact CB-CB 4.34Å; R78-A81 PolarHBondContact O-N 3.34Å; R78-E82 PolarHBondContact O-N 2.85Å; R78-F415 VanDerWaalsContact NH1-CZ 3.33Å
79	D	84.4	Confident	90.4	Very high	72 Å²	72	37.7 Å²	37.7	39%	0.385	18%	0.178	S	C	.	.	H	α-helix	trans	-61.2	-45.7	177.8	-157.6	70.6	0	0	0	113.3	A81 E82 V83 R420	D79-A81 PolarHBondContact O-N 3.11Å; D79-E82 WeakPolarHBondContact O-CA 3.49Å; D79-E82 WeakPolarHBondContact O-CB 3.12Å; D79-E82 PolarHBondContact O-N 3.1Å; D79-V83 WeakPolarHBondContact O-CG2 3.44Å; D79-V83 PolarHBondContact O-N 3.5Å; D79-R420 IonicContact OD1-CZ 2.74Å; D79-R420 VanDerWaalsContact OD1-CZ 3.29Å; D79-R420 IonicContact OD1-NH1 3.5Å; D79-R420 PolarHBondContact OD1-NH1 2.82Å; D79-R420 IonicContact OD1-NH2 2.88Å; D79-R420 PolarHBondContact OD1-NH2 3.37Å
80	S	84.1	Confident	90	Very high	74 Å²	74	41 Å²	41	52%	0.517	19%	0.193	S	C	.	.	H	α-helix	trans	-62.6	-28.9	179.7	61.2	0	0	0	0	113.3	K84	S80-K84 WeakPolarHBondContact O-CG 3.42Å; S80-K84 PolarHBondContact O-N 2.88Å
81	A	84.3	Confident	89.8	Confident	20 Å²	20	45.2 Å²	45.2	17%	0.165	21%	0.213	C	C	.	.	H	α-helix	trans	-71	-43.6	173.7	0	0	0	0	0	110.8	R78 D79 K84 I85	R78-A81 HydrophobicContact CB-CB 4.34Å; R78-A81 PolarHBondContact O-N 3.34Å; D79-A81 PolarHBondContact O-N 3.11Å; A81-K84 PolarHBondContact O-N 3.23Å; A81-I85 VanDerWaalsContact O-CD1 3.31Å; A81-I85 WeakPolarHBondContact O-CD1 3.11Å; A81-I85 WeakPolarHBondContact O-CG1 3.5Å; A81-I85 PolarHBondContact O-N 3.41Å
82	E	87.8	Confident	89.4	Confident	22 Å²	22	45.9 Å²	45.9	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-60.1	-48.2	175.6	-179.5	-177.8	166.6	0	0	112	R78 D79 K84 I85 W86 M108 R111 L112 R420	R78-E82 PolarHBondContact O-N 2.85Å; D79-E82 WeakPolarHBondContact O-CA 3.49Å; D79-E82 WeakPolarHBondContact O-CB 3.12Å; D79-E82 PolarHBondContact O-N 3.1Å; E82-K84 VanDerWaalsContact C-N 3.25Å; E82-K84 PolarHBondContact O-N 3.22Å; E82-I85 WeakPolarHBondContact O-CB 3.45Å; E82-I85 PolarHBondContact O-N 3.45Å; E82-W86 VanDerWaalsContact O-CD1 3.3Å; E82-W86 PolarHBondContact O-N 3.27Å; E82-W86 PolarHBondContact OE1-NE1 2.97Å; E82-W86 VanDerWaalsContact OE1-NE1 3.11Å; E82-M108 HydrophobicContact CG-CE 3.9Å; E82-M108 HydrophobicContact CG-SD 4.07Å; E82-R111 IonicContact OE2-CZ 3.5Å; E82-R111 IonicContact OE2-NH1 3.73Å; E82-R111 IonicContact OE2-NH2 3.52Å; E82-R111 PolarHBondContact OE2-NH2 2.99Å; E82-L112 HydrophobicContact CG-CD1 4.05Å; E82-L112 WeakPolarHBondContact OE1-CD1 3.35Å; E82-R420 IonicContact OE2-NH1 3.71Å
83	V	89.3	Confident	89	Confident	34 Å²	34	48 Å²	48	21%	0.206	22%	0.224	C	C	.	.	H	α-helix	trans	-57.5	-38.6	178.8	172.1	0	0	0	0	111.7	D79 I85 W86 R87 F135	D79-V83 WeakPolarHBondContact O-CG2 3.44Å; D79-V83 PolarHBondContact O-N 3.5Å; V83-I85 VanDerWaalsContact C-N 3.33Å; V83-I85 PolarHBondContact O-N 2.88Å; V83-W86 PolarHBondContact O-N 3.49Å; V83-R87 WeakPolarHBondContact O-CG 3.29Å; V83-R87 PolarHBondContact O-N 3.36Å; V83-R87 VanDerWaalsContact O-N 3.1Å; V83-F135 HydrophobicContact CG1-CE2 4.31Å; V83-F135 HydrophobicContact CG1-CZ 4.15Å
84	K	91.2	Very high	88.6	Confident	129 Å²	129	50.4 Å²	50.4	56%	0.561	24%	0.241	S	C	*	.	H	α-helix	trans	-63.8	-38.3	176.1	-74.1	174.8	-176.2	-175.6	0	112.2	S80 A81 E82 R87 R88	S80-K84 WeakPolarHBondContact O-CG 3.42Å; S80-K84 PolarHBondContact O-N 2.88Å; A81-K84 PolarHBondContact O-N 3.23Å; E82-K84 VanDerWaalsContact C-N 3.25Å; E82-K84 PolarHBondContact O-N 3.22Å; K84-R87 PolarHBondContact O-N 3.36Å; K84-R88 PolarHBondContact O-N 2.77Å
85	I	90.9	Very high	88.1	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.3	-45.8	179.5	-64.7	154.3	0	0	0	110.1	Y37 L72 T74 A81 E82 V83 R87 R88 I89 M108	Y37-I85 HydrophobicContact CD2-CG1 4.36Å; Y37-I85 HydrophobicContact CG-CG1 4.05Å; L72-I85 HydrophobicContact CD1-CG2 4.38Å; T74-I85 VanDerWaalsContact CB-CD1 3.46Å; T74-I85 HydrophobicContact CG2-CB 4.42Å; T74-I85 HydrophobicContact CG2-CD1 3.37Å; T74-I85 HydrophobicContact CG2-CG1 3.73Å; T74-I85 HydrophobicContact CG2-CG2 3.83Å; A81-I85 VanDerWaalsContact O-CD1 3.31Å; A81-I85 WeakPolarHBondContact O-CD1 3.11Å; A81-I85 WeakPolarHBondContact O-CG1 3.5Å; A81-I85 PolarHBondContact O-N 3.41Å; E82-I85 WeakPolarHBondContact O-CB 3.45Å; E82-I85 PolarHBondContact O-N 3.45Å; V83-I85 VanDerWaalsContact C-N 3.33Å; V83-I85 PolarHBondContact O-N 2.88Å; I85-R87 VanDerWaalsContact C-N 3.32Å; I85-R87 PolarHBondContact O-N 2.68Å; I85-R88 PolarHBondContact O-N 2.8Å; I85-R88 VanDerWaalsContact O-N 3.11Å; I85-I89 HydrophobicContact CG2-CD1 3.9Å; I85-I89 HydrophobicContact CG2-CG1 4.41Å; I85-I89 WeakPolarHBondContact O-CG1 3.37Å; I85-I89 PolarHBondContact O-N 3.36Å; I85-M108 HydrophobicContact CB-CE 4.3Å; I85-M108 HydrophobicContact CB-SD 3.87Å; I85-M108 HydrophobicContact CD1-SD 3.49Å; I85-M108 WeakPolarHBondContact CD1-SD 3.41Å; I85-M108 HydrophobicContact CG1-SD 4.28Å; I85-M108 HydrophobicContact CG2-CE 3.91Å; I85-M108 HydrophobicContact CG2-SD 3.67Å
86	W	91.2	Very high	87.4	Confident	53 Å²	53	60.3 Å²	60.3	20%	0.201	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-45	175.4	-73.4	119.5	0	0	0	112.1	E82 V83 R88 I89 Q90 M108 L112 K115 L116 F135 A143	E82-W86 VanDerWaalsContact O-CD1 3.3Å; E82-W86 PolarHBondContact O-N 3.27Å; E82-W86 PolarHBondContact OE1-NE1 2.97Å; E82-W86 VanDerWaalsContact OE1-NE1 3.11Å; V83-W86 PolarHBondContact O-N 3.49Å; W86-R88 PolarHBondContact O-N 3.07Å; W86-I89 HydrophobicContact CE3-CD1 4.39Å; W86-I89 PolarHBondContact O-N 3.35Å; W86-Q90 WeakPolarHBondContact O-CG 2.95Å; W86-Q90 PolarHBondContact O-N 2.94Å; W86-M108 HydrophobicContact CD2-CE 4.08Å; W86-M108 HydrophobicContact CG-CE 4.4Å; W86-M108 HydrophobicContact CZ2-CE 3.81Å; W86-L112 HydrophobicContact CZ2-CD1 4.13Å; W86-K115 HydrophobicContact CH2-CB 4.25Å; W86-K115 HydrophobicContact CZ2-CB 4.39Å; W86-L116 HydrophobicContact CH2-CD2 3.62Å; W86-L116 HydrophobicContact CH2-CG 4.07Å; W86-L116 HydrophobicContact CZ2-CD2 4.18Å; W86-L116 HydrophobicContact CZ3-CD2 3.86Å; W86-F135 HydrophobicContact CB-CE1 4.43Å; W86-A143 HydrophobicContact CZ3-CB 3.68Å
87	R	91.7	Very high	87.4	Confident	153 Å²	153	63.9 Å²	63.9	58%	0.577	30%	0.302	S	S	*	.	H	α-helix	trans	-62.2	-40.6	175.2	-70.3	176.2	-176.3	178.3	2.4	112.4	V83 K84 I85 Q90 H91 F135	V83-R87 WeakPolarHBondContact O-CG 3.29Å; V83-R87 PolarHBondContact O-N 3.36Å; V83-R87 VanDerWaalsContact O-N 3.1Å; K84-R87 PolarHBondContact O-N 3.36Å; I85-R87 VanDerWaalsContact C-N 3.32Å; I85-R87 PolarHBondContact O-N 2.68Å; R87-Q90 PolarHBondContact O-N 2.87Å; R87-H91 WeakPolarHBondContact O-CB 3.43Å; R87-H91 PolarHBondContact O-N 3.48Å; R87-F135 HydrophobicContact CG-CE1 4.24Å; R87-F135 HydrophobicContact CG-CZ 4.08Å
88	R	92.7	Very high	86.9	Confident	39 Å²	39	69.4 Å²	69.4	15%	0.147	32%	0.323	C	S	.	.	H	α-helix	trans	-65.1	-43	177.3	-174.5	61.2	171.6	145	9.8	111.7	E35 Y37 D64 L72 K84 I85 W86 Q90 H91 L92	E35-R88 IonicContact OE1-CZ 3.94Å; E35-R88 VanDerWaalsContact OE1-CZ 3.31Å; E35-R88 IonicContact OE1-NE 3.71Å; E35-R88 PolarHBondContact OE1-NE 3.17Å; E35-R88 IonicContact OE1-NH2 2.79Å; E35-R88 PolarHBondContact OE1-NH2 3.38Å; E35-R88 WeakPolarHBondContact OE2-CG 3.25Å; E35-R88 IonicContact OE2-CZ 3.51Å; E35-R88 IonicContact OE2-NE 3.66Å; E35-R88 PolarHBondContact OE2-NE 3.34Å; E35-R88 IonicContact OE2-NH2 2.79Å; Y37-R88 HydrophobicContact CE2-CG 4.4Å; Y37-R88 WeakPolarHBondContact OH-CG 3.39Å; D64-R88 IonicContact OD1-NH2 3.55Å; D64-R88 IonicContact OD2-CZ 3.97Å; D64-R88 IonicContact OD2-NH1 3.77Å; D64-R88 IonicContact OD2-NH2 3.44Å; D64-R88 PolarHBondContact OD2-NH2 2.94Å; L72-R88 HydrophobicContact CD1-CG 4.43Å; L72-R88 HydrophobicContact CD2-CG 4.28Å; K84-R88 PolarHBondContact O-N 2.77Å; I85-R88 PolarHBondContact O-N 2.8Å; I85-R88 VanDerWaalsContact O-N 3.11Å; W86-R88 PolarHBondContact O-N 3.07Å; R88-Q90 PolarHBondContact O-N 3.23Å; R88-H91 PolarHBondContact NH1-CD2 2.82Å; R88-H91 PolarHBondContact O-N 3.16Å; R88-L92 HydrophobicContact CG-CD1 4.19Å; R88-L92 HydrophobicContact CG-CG 4.49Å; R88-L92 WeakPolarHBondContact O-CG 3.26Å; R88-L92 PolarHBondContact O-N 2.83Å
89	I	91.5	Very high	86.9	Confident	4 Å²	4	71.8 Å²	71.8	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-59.7	-47.7	175.3	-67.9	167.7	0	0	0	110.6	L72 I85 W86 H91 L92 R93 V104 L116 A143	L72-I89 HydrophobicContact CD1-CD1 4.33Å; L72-I89 HydrophobicContact CD1-CG1 3.58Å; I85-I89 HydrophobicContact CG2-CD1 3.9Å; I85-I89 HydrophobicContact CG2-CG1 4.41Å; I85-I89 WeakPolarHBondContact O-CG1 3.37Å; I85-I89 PolarHBondContact O-N 3.36Å; W86-I89 HydrophobicContact CE3-CD1 4.39Å; W86-I89 PolarHBondContact O-N 3.35Å; I89-H91 VanDerWaalsContact C-N 3.32Å; I89-H91 PolarHBondContact O-N 2.82Å; I89-L92 PolarHBondContact O-N 3.45Å; I89-R93 HydrophobicContact CG2-CG 4.44Å; I89-R93 WeakPolarHBondContact O-CG 3.49Å; I89-R93 PolarHBondContact O-N 2.98Å; I89-V104 HydrophobicContact CD1-CG2 3.83Å; I89-L116 HydrophobicContact CD1-CD2 3.92Å; I89-A143 HydrophobicContact CG2-CB 3.96Å; I89-A143 VanDerWaalsContact CG2-O 3.25Å; I89-A143 WeakPolarHBondContact CG2-O 3.44Å
90	Q	89.8	Confident	87.2	Confident	69 Å²	69	69.3 Å²	69.3	32%	0.322	32%	0.321	S	S	.	.	H	α-helix	trans	-59	-43.9	177.5	-73.7	177	-22.3	0	0	112	W86 R87 R88 R93 S94	W86-Q90 WeakPolarHBondContact O-CG 2.95Å; W86-Q90 PolarHBondContact O-N 2.94Å; R87-Q90 PolarHBondContact O-N 2.87Å; R88-Q90 PolarHBondContact O-N 3.23Å; Q90-R93 PolarHBondContact O-N 3.36Å; Q90-S94 WeakPolarHBondContact O-CB 3.35Å; Q90-S94 PolarHBondContact O-N 2.87Å
91	H	91.4	Very high	87.7	Confident	88 Å²	88	67.3 Å²	67.3	41%	0.407	30%	0.302	S	S	.	.	H	α-helix	trans	-61.1	-50.4	176.2	175.6	77.8	0	0	0	111.6	R87 R88 I89 R93 S94 L95	R87-H91 WeakPolarHBondContact O-CB 3.43Å; R87-H91 PolarHBondContact O-N 3.48Å; R88-H91 PolarHBondContact NH1-CD2 2.82Å; R88-H91 PolarHBondContact O-N 3.16Å; I89-H91 VanDerWaalsContact C-N 3.32Å; I89-H91 PolarHBondContact O-N 2.82Å; H91-R93 VanDerWaalsContact C-N 3.26Å; H91-R93 PolarHBondContact O-N 3.36Å; H91-S94 WeakPolarHBondContact O-CA 3.49Å; H91-S94 WeakPolarHBondContact O-CB 3.42Å; H91-S94 PolarHBondContact O-N 2.93Å; H91-S94 PolarHBondContact O-OG 3.1Å; H91-L95 PolarHBondContact O-N 2.85Å
92	L	90.6	Very high	88.2	Confident	14 Å²	14	66.5 Å²	66.5	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-57.6	-39.7	178.3	-72.5	170.5	0	0	0	112.1	D64 V70 L72 R88 I89 L95 I102	D64-L92 HydrophobicContact CB-CD2 4.46Å; D64-L92 WeakPolarHBondContact OD2-CD2 3.47Å; V70-L92 HydrophobicContact CB-CD1 4.33Å; V70-L92 HydrophobicContact CG1-CD1 3.81Å; V70-L92 HydrophobicContact CG2-CD2 4.29Å; L72-L92 HydrophobicContact CD1-CD1 4.41Å; L72-L92 HydrophobicContact CD2-CD1 4.28Å; R88-L92 HydrophobicContact CG-CD1 4.19Å; R88-L92 HydrophobicContact CG-CG 4.49Å; R88-L92 WeakPolarHBondContact O-CG 3.26Å; R88-L92 PolarHBondContact O-N 2.83Å; I89-L92 PolarHBondContact O-N 3.45Å; L92-L95 PolarHBondContact O-N 2.99Å; L92-I102 HydrophobicContact CB-CD1 3.66Å; L92-I102 HydrophobicContact CD1-CD1 4.16Å
93	R	88	Confident	88.7	Confident	44 Å²	44	65.4 Å²	65.4	17%	0.166	29%	0.29	C	S	.	.	H	α-helix	trans	-70	-33.9	175.7	-67.3	-64.9	-170.7	-151.3	-5.5	112.8	I89 Q90 H91 L95 H96 I102 F140 V142 A143 D145	I89-R93 HydrophobicContact CG2-CG 4.44Å; I89-R93 WeakPolarHBondContact O-CG 3.49Å; I89-R93 PolarHBondContact O-N 2.98Å; Q90-R93 PolarHBondContact O-N 3.36Å; H91-R93 VanDerWaalsContact C-N 3.26Å; H91-R93 PolarHBondContact O-N 3.36Å; R93-L95 PolarHBondContact O-N 2.85Å; R93-H96 PolarHBondContact O-N 3.12Å; R93-H96 VanDerWaalsContact O-N 3.13Å; R93-I102 HydrophobicContact CG-CD1 3.99Å; R93-F140 HydrophobicContact CB-CD1 3.41Å; R93-F140 VanDerWaalsContact CB-CD1 3.41Å; R93-F140 HydrophobicContact CB-CD2 4.12Å; R93-F140 HydrophobicContact CB-CE1 3.41Å; R93-F140 VanDerWaalsContact CB-CE1 3.41Å; R93-F140 HydrophobicContact CB-CE2 4.11Å; R93-F140 HydrophobicContact CB-CG 3.78Å; R93-F140 HydrophobicContact CB-CZ 3.78Å; R93-F140 HydrophobicContact CG-CD1 4.25Å; R93-F140 HydrophobicContact CG-CG 4.4Å; R93-F140 VanDerWaalsContact O-CE1 3.23Å; R93-F140 WeakPolarHBondContact O-CE1 3.33Å; R93-V142 PolarHBondContact NE-O 3.19Å; R93-A143 PolarHBondContact NE-O 2.94Å; R93-A143 PolarHBondContact NH2-O 2.72Å; R93-D145 IonicContact CZ-OD2 3.28Å; R93-D145 IonicContact NH1-OD2 2.74Å; R93-D145 PolarHBondContact NH1-OD2 2.94Å; R93-D145 VanDerWaalsContact NH1-OD2 3.16Å; R93-D145 IonicContact NH2-OD1 2.72Å; R93-D145 IonicContact NH2-OD2 3.53Å; R93-D145 PolarHBondContact NH2-OD2 3.49Å
94	S	87.6	Confident	89.1	Confident	52 Å²	52	63.8 Å²	63.8	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-67.9	-18.4	176.2	78	0	0	0	0	114.1	Q90 H91 H96	Q90-S94 WeakPolarHBondContact O-CB 3.35Å; Q90-S94 PolarHBondContact O-N 2.87Å; H91-S94 WeakPolarHBondContact O-CA 3.49Å; H91-S94 WeakPolarHBondContact O-CB 3.42Å; H91-S94 PolarHBondContact O-N 2.93Å; H91-S94 PolarHBondContact O-OG 3.1Å; S94-H96 PolarHBondContact O-CD2 3.33Å; S94-H96 PolarHBondContact O-N 3.44Å; S94-H96 PolarHBondContact O-NE2 2.94Å
95	L	85.7	Confident	89.4	Confident	75 Å²	75	57.7 Å²	57.7	39%	0.393	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-6.7	172.4	-60.8	177.1	0	0	0	112.8	H91 L92 R93 R97	H91-L95 PolarHBondContact O-N 2.85Å; L92-L95 PolarHBondContact O-N 2.99Å; R93-L95 PolarHBondContact O-N 2.85Å; L95-R97 HydrophobicContact CB-CG 4.23Å; L95-R97 PolarHBondContact O-N 3.34Å
96	H	75.9	Confident	89.6	Confident	143 Å²	143	57.7 Å²	57.7	66%	0.662	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	26.9	176.5	-64	-68.3	0	0	0	115.2	R93 S94 K98	R93-H96 PolarHBondContact O-N 3.12Å; R93-H96 VanDerWaalsContact O-N 3.13Å; S94-H96 PolarHBondContact O-CD2 3.33Å; S94-H96 PolarHBondContact O-N 3.44Å; S94-H96 PolarHBondContact O-NE2 2.94Å; H96-K98 VanDerWaalsContact C-N 3.33Å; H96-K98 PolarHBondContact O-N 2.97Å
97	R	82.1	Confident	89.8	Confident	75 Å²	75	55.4 Å²	55.4	28%	0.283	25%	0.246	S	C	.	.			trans	-78	78.8	176.5	-67.5	172.5	65.7	-157.5	-0.2	110.6	D64 E65 C67 L95 Y99 V100	D64-R97 PolarHBondContact O-NH1 3.43Å; D64-R97 PolarHBondContact O-NH2 3.5Å; E65-R97 PolarHBondContact O-NH2 2.85Å; C67-R97 PolarHBondContact O-NH2 2.96Å; L95-R97 HydrophobicContact CB-CG 4.23Å; L95-R97 PolarHBondContact O-N 3.34Å; R97-Y99 PolarHBondContact O-N 2.82Å; R97-V100 HydrophobicContact CB-CB 4.13Å; R97-V100 HydrophobicContact CB-CG2 3.8Å; R97-V100 PolarHBondContact O-N 3.13Å
98	K	71.4	Confident	89.9	Confident	188 Å²	188	48.1 Å²	48.1	82%	0.817	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	-28.6	-171.8	-70.5	-176.6	179.4	177.5	0	115.6	H96	H96-K98 VanDerWaalsContact C-N 3.33Å; H96-K98 PolarHBondContact O-N 2.97Å
99	Y	82.9	Confident	89.9	Confident	160 Å²	160	46.2 Å²	46.2	63%	0.627	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-16.1	-176.8	-57.2	-70.5	0	0	0	114	R97	R97-Y99 PolarHBondContact O-N 2.82Å
100	V	91.5	Very high	89.9	Confident	20 Å²	20	48.5 Å²	48.5	12%	0.121	22%	0.221	C	C	.	.			trans	-81.6	128.3	-175	178.4	0	0	0	0	110.3	D68 V70 R97	D68-V100 VanDerWaalsContact O-CA 3.25Å; D68-V100 WeakPolarHBondContact O-CA 3.47Å; V70-V100 HydrophobicContact CG2-CG1 3.96Å; R97-V100 HydrophobicContact CB-CB 4.13Å; R97-V100 HydrophobicContact CB-CG2 3.8Å; R97-V100 PolarHBondContact O-N 3.13Å
101	K	94.2	Very high	89.9	Confident	31 Å²	31	46 Å²	46	14%	0.135	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	146.4	179	-58.5	-66.3	169.6	163.3	0	111	D68 T69 V70 D145 A163 H164	D68-K101 PolarHBondContact O-N 3.41Å; T69-K101 CarbonylContact C-O 3.41Å; T69-K101 VanDerWaalsContact CA-O 3.31Å; T69-K101 WeakPolarHBondContact CA-O 3.41Å; T69-K101 HydrophobicContact CG2-CB 4.38Å; V70-K101 PolarHBondContact N-O 2.79Å; K101-D145 WeakPolarHBondContact CA-OD2 3.44Å; K101-D145 HydrophobicContact CB-CB 4.36Å; K101-D145 HydrophobicContact CD-CB 4.05Å; K101-D145 VanDerWaalsContact CD-CG 3.42Å; K101-D145 WeakPolarHBondContact CD-OD1 3.39Å; K101-D145 IonicContact NZ-OD1 3.9Å; K101-D145 PolarHBondContact NZ-OD1 3.21Å; K101-A163 HydrophobicContact CB-CB 4.38Å; K101-A163 HydrophobicContact CD-CB 4.24Å; K101-A163 WeakPolarHBondContact CD-O 3.43Å; K101-A163 WeakPolarHBondContact CE-O 3.42Å; K101-A163 HydrophobicContact CG-CB 4.2Å; K101-A163 PolarHBondContact NZ-O 2.91Å; K101-H164 VanDerWaalsContact CG-CE1 3.44Å; K101-H164 WeakPolarHBondContact CG-CE1 3.24Å; K101-H164 WeakPolarHBondContact CG-ND1 3.25Å
102	I	95.2	Very high	89.8	Confident	3 Å²	3	42 Å²	42	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.2	179.6	-55	-178.4	0	0	0	108.6	V70 L72 L92 R93 D145 F146	V70-I102 WeakPolarHBondContact O-CA 3.24Å; L72-I102 HydrophobicContact CD1-CG2 4.39Å; L92-I102 HydrophobicContact CB-CD1 3.66Å; L92-I102 HydrophobicContact CD1-CD1 4.16Å; R93-I102 HydrophobicContact CG-CD1 3.99Å; I102-D145 PolarHBondContact N-OD2 3.38Å; I102-D145 PolarHBondContact O-N 3.12Å; I102-F146 PolarHBondContact O-N 3.41Å
103	G	97.3	Very high	89.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.1	170.3	0	0	0	0	0	111	V70 L71 L72 F146	V70-G103 PolarHBondContact O-N 3.16Å; L71-G103 WeakPolarHBondContact CA-O 3.39Å; L72-G103 PolarHBondContact N-O 3.23Å; G103-F146 WeakPolarHBondContact CA-O 3.49Å
104	V	97.5	Very high	89.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.4	171.2	177.8	0	0	0	0	109.3	L72 T74 I89 A109 L116 A144 F146 V147 C148	L72-V104 HydrophobicContact CD1-CG2 4.46Å; T74-V104 HydrophobicContact CG2-CG1 3.93Å; I89-V104 HydrophobicContact CD1-CG2 3.83Å; V104-A109 HydrophobicContact CG1-CB 4.38Å; V104-A109 WeakPolarHBondContact O-CB 3.39Å; V104-L116 HydrophobicContact CB-CD1 4.1Å; V104-L116 HydrophobicContact CB-CD2 4.48Å; V104-L116 HydrophobicContact CG1-CD1 3.76Å; V104-L116 HydrophobicContact CG1-CD2 4.44Å; V104-L116 HydrophobicContact CG2-CD2 4.1Å; V104-A144 HydrophobicContact CB-CB 4.42Å; V104-A144 HydrophobicContact CG2-CB 3.82Å; V104-F146 PolarHBondContact N-O 3.18Å; V104-F146 VanDerWaalsContact N-O 3.08Å; V104-V147 HydrophobicContact CB-CG1 4.36Å; V104-V147 VanDerWaalsContact O-CA 3.26Å; V104-V147 WeakPolarHBondContact O-CA 3.25Å; V104-C148 PolarHBondContact O-N 3.25Å
105	L	98	Very high	89.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	156.9	-170.5	-51.4	-169.8	0	0	0	112.3	L71 L72 M73 T74 F146 C148 Y153 L156	L71-L105 HydrophobicContact CB-CD1 3.95Å; L71-L105 HydrophobicContact CB-CG 4.42Å; L71-L105 HydrophobicContact CD1-CD1 4.07Å; L71-L105 HydrophobicContact CD2-CD1 4.38Å; L71-L105 HydrophobicContact CG-CD1 4.36Å; L72-L105 PolarHBondContact O-N 3.02Å; M73-L105 HydrophobicContact CE-CB 3.65Å; M73-L105 HydrophobicContact CE-CD1 3.63Å; M73-L105 HydrophobicContact CE-CG 4.3Å; M73-L105 HydrophobicContact SD-CB 3.72Å; T74-L105 WeakPolarHBondContact CB-O 3.34Å; T74-L105 PolarHBondContact N-O 2.94Å; T74-L105 PolarHBondContact OG1-O 3.26Å; L105-F146 HydrophobicContact CD2-CE2 4.28Å; L105-C148 CarbonylContact C-O 3.52Å; L105-C148 VanDerWaalsContact CA-O 3.22Å; L105-C148 WeakPolarHBondContact CA-O 3.49Å; L105-C148 HydrophobicContact CD2-CB 3.58Å; L105-Y153 HydrophobicContact CB-CE1 4.26Å; L105-L156 HydrophobicContact CD1-CD1 4.17Å; L105-L156 HydrophobicContact CD1-CD2 3.9Å; L105-L156 HydrophobicContact CD2-CD2 3.48Å; L105-L156 VanDerWaalsContact CD2-CD2 3.48Å; L105-L156 HydrophobicContact CG-CD2 4.37Å
106	G	96.2	Very high	90	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.2	-148.4	170.4	0	0	0	0	0	113.9	M108 A109 K110 C148 P150 Y153	G106-M108 PolarHBondContact O-N 2.79Å; G106-A109 VanDerWaalsContact O-CB 3.3Å; G106-A109 WeakPolarHBondContact O-CB 3.43Å; G106-A109 PolarHBondContact O-N 3.05Å; G106-K110 PolarHBondContact O-N 3.49Å; G106-C148 PolarHBondContact N-O 2.71Å; G106-P150 WeakPolarHBondContact O-CD 3.48Å; G106-Y153 WeakPolarHBondContact CA-OH 3.17Å
107	C	94.5	Very high	90.6	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.034	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-37	-167.3	-61.7	0	0	0	0	112.7	T74 A76 K110 R111 V224 R225	T74-C107 PolarHBondContact O-N 3.38Å; A76-C107 HydrophobicContact CB-CB 3.59Å; C107-K110 PolarHBondContact O-N 3.17Å; C107-R111 PolarHBondContact O-N 3.15Å; C107-V224 HydrophobicContact CB-CB 4.16Å; C107-V224 HydrophobicContact CB-CG2 3.89Å; C107-R225 PolarHBondContact SG-NE 2.74Å; C107-R225 PolarHBondContact SG-NH2 2.88Å
108	M	93.2	Very high	90.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.5	-38.8	-179.1	-166.9	-178.3	153.1	0	0	110.5	T74 A76 E82 I85 W86 G106 K110 R111 L112 L116	T74-M108 WeakPolarHBondContact OG1-CB 3.15Å; T74-M108 PolarHBondContact OG1-N 2.81Å; A76-M108 HydrophobicContact CB-CB 4.43Å; E82-M108 HydrophobicContact CG-CE 3.9Å; E82-M108 HydrophobicContact CG-SD 4.07Å; I85-M108 HydrophobicContact CB-CE 4.3Å; I85-M108 HydrophobicContact CB-SD 3.87Å; I85-M108 HydrophobicContact CD1-SD 3.49Å; I85-M108 WeakPolarHBondContact CD1-SD 3.41Å; I85-M108 HydrophobicContact CG1-SD 4.28Å; I85-M108 HydrophobicContact CG2-CE 3.91Å; I85-M108 HydrophobicContact CG2-SD 3.67Å; W86-M108 HydrophobicContact CD2-CE 4.08Å; W86-M108 HydrophobicContact CG-CE 4.4Å; W86-M108 HydrophobicContact CZ2-CE 3.81Å; G106-M108 PolarHBondContact O-N 2.79Å; M108-K110 VanDerWaalsContact C-N 3.26Å; M108-K110 PolarHBondContact O-N 3.26Å; M108-R111 PolarHBondContact O-N 2.8Å; M108-R111 VanDerWaalsContact O-N 3.13Å; M108-L112 HydrophobicContact CE-CD1 3.58Å; M108-L112 HydrophobicContact CG-CB 4.33Å; M108-L112 HydrophobicContact CG-CD1 3.55Å; M108-L112 HydrophobicContact CG-CG 4.14Å; M108-L112 WeakPolarHBondContact O-CB 3.43Å; M108-L112 PolarHBondContact O-N 2.77Å; M108-L112 HydrophobicContact SD-CD1 4.24Å; M108-L116 HydrophobicContact CE-CD2 4.06Å
109	A	93	Very high	90.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-52.4	-46	174.3	0	0	0	0	0	111.6	V104 G106 K113 V147 C148	V104-A109 HydrophobicContact CG1-CB 4.38Å; V104-A109 WeakPolarHBondContact O-CB 3.39Å; G106-A109 VanDerWaalsContact O-CB 3.3Å; G106-A109 WeakPolarHBondContact O-CB 3.43Å; G106-A109 PolarHBondContact O-N 3.05Å; A109-K113 WeakPolarHBondContact O-CA 3.2Å; A109-K113 WeakPolarHBondContact O-CB 3.34Å; A109-K113 PolarHBondContact O-N 2.99Å; A109-V147 HydrophobicContact CB-CB 4.05Å; A109-C148 WeakPolarHBondContact CB-O 3.4Å
110	K	91.7	Very high	89.1	Confident	51 Å²	51	32.3 Å²	32.3	22%	0.222	16%	0.158	C	C	.	.	H	α-helix	trans	-66.5	-42	177.3	175.9	55.9	-178.5	175.2	0	113.2	G106 C107 M108 V172 L174 V224	G106-K110 PolarHBondContact O-N 3.49Å; C107-K110 PolarHBondContact O-N 3.17Å; M108-K110 VanDerWaalsContact C-N 3.26Å; M108-K110 PolarHBondContact O-N 3.26Å; K110-V172 HydrophobicContact CD-CB 3.81Å; K110-V172 HydrophobicContact CD-CG2 4.21Å; K110-V172 WeakPolarHBondContact CD-O 3.39Å; K110-V172 WeakPolarHBondContact CE-O 3.43Å; K110-V172 PolarHBondContact NZ-O 2.9Å; K110-L174 HydrophobicContact CD-CD2 4.48Å; K110-L174 HydrophobicContact CG-CD2 4.5Å; K110-V224 HydrophobicContact CB-CB 4.27Å; K110-V224 HydrophobicContact CB-CG1 4.23Å; K110-V224 HydrophobicContact CG-CB 4.1Å; K110-V224 HydrophobicContact CG-CG1 4.01Å
111	R	89.6	Confident	87.1	Confident	17 Å²	17	34.6 Å²	34.6	6%	0.064	18%	0.175	C	C	.	.	H	α-helix	trans	-77	-44.2	-176.1	-175	171.5	58.8	86	4.4	112.8	E82 C107 M108 V224	E82-R111 IonicContact OE2-CZ 3.5Å; E82-R111 IonicContact OE2-NH1 3.73Å; E82-R111 IonicContact OE2-NH2 3.52Å; E82-R111 PolarHBondContact OE2-NH2 2.99Å; C107-R111 PolarHBondContact O-N 3.15Å; M108-R111 PolarHBondContact O-N 2.8Å; M108-R111 VanDerWaalsContact O-N 3.13Å; R111-V224 HydrophobicContact CB-CG1 4.07Å
112	L	89.3	Confident	84.6	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-108.7	18.7	-168.1	-61.6	-178.2	0	0	0	113.5	E82 W86 M108 D114 K115 L116	E82-L112 HydrophobicContact CG-CD1 4.05Å; E82-L112 WeakPolarHBondContact OE1-CD1 3.35Å; W86-L112 HydrophobicContact CZ2-CD1 4.13Å; M108-L112 HydrophobicContact CE-CD1 3.58Å; M108-L112 HydrophobicContact CG-CB 4.33Å; M108-L112 HydrophobicContact CG-CD1 3.55Å; M108-L112 HydrophobicContact CG-CG 4.14Å; M108-L112 WeakPolarHBondContact O-CB 3.43Å; M108-L112 PolarHBondContact O-N 2.77Å; M108-L112 HydrophobicContact SD-CD1 4.24Å; L112-D114 PolarHBondContact O-N 3.07Å; L112-D114 VanDerWaalsContact O-N 3.1Å; L112-K115 HydrophobicContact CD2-CD 4.15Å; L112-K115 PolarHBondContact O-N 3.13Å; L112-K115 VanDerWaalsContact O-N 3.09Å; L112-L116 HydrophobicContact CB-CD1 4.03Å; L112-L116 HydrophobicContact CB-CG 4.19Å; L112-L116 WeakPolarHBondContact O-CB 3.36Å; L112-L116 WeakPolarHBondContact O-CG 3.37Å; L112-L116 PolarHBondContact O-N 3.49Å
113	K	89.9	Confident	81.9	Confident	75 Å²	75	45.3 Å²	45.3	33%	0.326	23%	0.233	S	C	.	.	H	α-helix	trans	-36.9	-56.2	179.5	168.1	-173	155	-176.7	0	112.3	A109 L116 L117 V147 A170 V172	A109-K113 WeakPolarHBondContact O-CA 3.2Å; A109-K113 WeakPolarHBondContact O-CB 3.34Å; A109-K113 PolarHBondContact O-N 2.99Å; K113-L116 PolarHBondContact O-N 3.41Å; K113-L117 HydrophobicContact CG-CD1 4.22Å; K113-L117 WeakPolarHBondContact O-CG 3.28Å; K113-L117 PolarHBondContact O-N 3.4Å; K113-L117 VanDerWaalsContact O-N 3.14Å; K113-V147 HydrophobicContact CB-CG2 4.17Å; K113-V147 HydrophobicContact CG-CG2 3.88Å; K113-A170 HydrophobicContact CD-CB 3.88Å; K113-A170 HydrophobicContact CG-CB 4.08Å; K113-V172 HydrophobicContact CD-CG2 3.72Å
114	D	89.5	Confident	78.8	Confident	93 Å²	93	50.7 Å²	50.7	50%	0.497	27%	0.266	S	S	.	.	H	α-helix	trans	-69.6	-45.6	-171.9	-50.3	-46	0	0	0	110.6	L112 L116 L117 M118	L112-D114 PolarHBondContact O-N 3.07Å; L112-D114 VanDerWaalsContact O-N 3.1Å; D114-L116 PolarHBondContact O-N 3.17Å; D114-L117 PolarHBondContact O-N 2.8Å; D114-M118 HydrophobicContact CB-CE 3.9Å; D114-M118 WeakPolarHBondContact O-CB 3.46Å; D114-M118 WeakPolarHBondContact O-CG 3.18Å; D114-M118 PolarHBondContact O-N 2.96Å
115	K	88.6	Confident	75.7	Confident	98 Å²	98	56.1 Å²	56.1	43%	0.426	30%	0.304	S	S	.	.	H	α-helix	trans	-60.4	-31.9	176.2	-61.2	-171.3	-167.1	168.7	0	112.6	W86 L112 E421	W86-K115 HydrophobicContact CH2-CB 4.25Å; W86-K115 HydrophobicContact CZ2-CB 4.39Å; L112-K115 HydrophobicContact CD2-CD 4.15Å; L112-K115 PolarHBondContact O-N 3.13Å; L112-K115 VanDerWaalsContact O-N 3.09Å; K115-E421 IonicContact NZ-OE1 3.4Å; K115-E421 PolarHBondContact NZ-OE1 3.3Å; K115-E421 IonicContact NZ-OE2 3.96Å
116	L	88.1	Confident	72.3	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-76.6	-29.4	179.5	-76.2	167.3	0	0	0	113.4	W86 I89 V104 M108 L112 K113 D114 A143 A144 V147	W86-L116 HydrophobicContact CH2-CD2 3.62Å; W86-L116 HydrophobicContact CH2-CG 4.07Å; W86-L116 HydrophobicContact CZ2-CD2 4.18Å; W86-L116 HydrophobicContact CZ3-CD2 3.86Å; I89-L116 HydrophobicContact CD1-CD2 3.92Å; V104-L116 HydrophobicContact CB-CD1 4.1Å; V104-L116 HydrophobicContact CB-CD2 4.48Å; V104-L116 HydrophobicContact CG1-CD1 3.76Å; V104-L116 HydrophobicContact CG1-CD2 4.44Å; V104-L116 HydrophobicContact CG2-CD2 4.1Å; M108-L116 HydrophobicContact CE-CD2 4.06Å; L112-L116 HydrophobicContact CB-CD1 4.03Å; L112-L116 HydrophobicContact CB-CG 4.19Å; L112-L116 WeakPolarHBondContact O-CB 3.36Å; L112-L116 WeakPolarHBondContact O-CG 3.37Å; L112-L116 PolarHBondContact O-N 3.49Å; K113-L116 PolarHBondContact O-N 3.41Å; D114-L116 PolarHBondContact O-N 3.17Å; L116-A143 WeakPolarHBondContact O-CB 3.48Å; L116-A144 HydrophobicContact CB-CB 4.39Å; L116-A144 PolarHBondContact O-N 2.89Å; L116-V147 HydrophobicContact CB-CG1 3.78Å; L116-V147 HydrophobicContact CD1-CG1 3.89Å; L116-V147 HydrophobicContact CG-CG1 4.48Å
117	L	88.5	Confident	69.1	Low	29 Å²	29	71.3 Å²	71.3	15%	0.152	39%	0.391	C	S	.	.	H	α-helix	trans	-100.9	-13.8	-178.3	-64.5	177.9	0	0	0	113.9	K113 D114 D119 V142 V147 A170	K113-L117 HydrophobicContact CG-CD1 4.22Å; K113-L117 WeakPolarHBondContact O-CG 3.28Å; K113-L117 PolarHBondContact O-N 3.4Å; K113-L117 VanDerWaalsContact O-N 3.14Å; D114-L117 PolarHBondContact O-N 2.8Å; L117-D119 PolarHBondContact O-N 3.47Å; L117-V142 WeakPolarHBondContact O-CG1 3.43Å; L117-V147 HydrophobicContact CD1-CG2 4.03Å; L117-V147 HydrophobicContact CD2-CG1 4.17Å; L117-V147 HydrophobicContact CG-CG1 4.19Å; L117-V147 HydrophobicContact CG-CG2 4.42Å; L117-A170 HydrophobicContact CD1-CB 3.82Å
118	M	82.3	Confident	65.9	Low	102 Å²	102	74 Å²	74	50%	0.502	42%	0.42	S	S	.	.			trans	-54.7	135.5	178.9	-90.9	169.6	-166.8	0	0	111.3	D114	D114-M118 HydrophobicContact CB-CE 3.9Å; D114-M118 WeakPolarHBondContact O-CB 3.46Å; D114-M118 WeakPolarHBondContact O-CG 3.18Å; D114-M118 PolarHBondContact O-N 2.96Å
119	D	65.2	Low	62.8	Low	59 Å²	59	81.8 Å²	81.8	32%	0.316	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-92.1	117.1	173.5	-155.6	-46.9	0	0	0	110	L117 S121 N141 V142 K168	L117-D119 PolarHBondContact O-N 3.47Å; D119-S121 VanDerWaalsContact C-N 3.31Å; D119-S121 VanDerWaalsContact CG-OG 3.32Å; D119-S121 WeakPolarHBondContact OD1-CB 3.49Å; D119-S121 PolarHBondContact OD1-N 2.85Å; D119-S121 PolarHBondContact OD1-OG 2.89Å; D119-N141 CarbonylContact C-O 3.54Å; D119-N141 WeakPolarHBondContact CA-O 3.37Å; D119-V142 HydrophobicContact CB-CG2 4.37Å; D119-K168 IonicContact OD2-NZ 3.35Å
120	N	56.9	Low	59.8	Low	93 Å²	93	89.1 Å²	89.1	50%	0.497	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-86.1	-0	-179.4	-74.5	-28.4	0	0	0	113.3	C122 K123 N141	N120-C122 PolarHBondContact O-N 2.83Å; N120-K123 PolarHBondContact O-N 3.02Å; N120-N141 PolarHBondContact N-O 2.91Å
121	S	50.6	Low	56.7	Low	67 Å²	67	96.6 Å²	96.6	47%	0.469	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-61	-24.7	179.9	56	0	0	0	0	114.4	D119	D119-S121 VanDerWaalsContact C-N 3.31Å; D119-S121 VanDerWaalsContact CG-OG 3.32Å; D119-S121 WeakPolarHBondContact OD1-CB 3.49Å; D119-S121 PolarHBondContact OD1-N 2.85Å; D119-S121 PolarHBondContact OD1-OG 2.89Å
122	C	41.7	Very low	54.2	Low	97 Å²	97	99.7 Å²	99.7	66%	0.655	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-93.9	0.6	-174.7	55.8	0	0	0	0	115.5	N120 T124	N120-C122 PolarHBondContact O-N 2.83Å; C122-T124 VanDerWaalsContact C-N 3.27Å; C122-T124 PolarHBondContact O-N 3.11Å
123	K	37.6	Very low	51.5	Low	163 Å²	163	104 Å²	104	71%	0.709	59%	0.59	S	S	*	*			trans	-90.4	57.4	173.9	-70.8	-169.5	-179.2	179.2	0	112.4	N120	N120-K123 PolarHBondContact O-N 3.02Å
124	T	32.7	Very low	48.9	Very low	113 Å²	113	106.8 Å²	106.8	69%	0.693	62%	0.619	S	S	*	*			trans	-97	129.1	147.4	53.3	0	0	0	0	106.3	C122	C122-T124 VanDerWaalsContact C-N 3.27Å; C122-T124 PolarHBondContact O-N 3.11Å
125	S	32.5	Very low	46.7	Very low	114 Å²	114	106.9 Å²	106.9	80%	0.797	62%	0.615	S	S	*	*	S	Bend	trans	82.8	84.1	177.2	74.6	0	0	0	0	117.3
126	K	26.9	Very low	44.3	Very low	204 Å²	204	104.9 Å²	104.9	89%	0.887	62%	0.623	S	S	*	*				171.3	98	124.9	-91.3	172.7	-174.1	-177.1	0	108
127	A	28.3	Very low	42	Very low	115 Å²	115	112.9 Å²	112.9	95%	0.95	66%	0.66	S	S	*	*			trans	-69.5	129	170	0	0	0	0	0	108.8
128	G	27.4	Very low	39.7	Very low	62 Å²	62	117.2 Å²	117.2	64%	0.639	68%	0.683	S	S	*	*			trans	148.5	112	176.6	0	0	0	0	0	109.9
129	D	27.7	Very low	37.9	Very low	162 Å²	162	117.9 Å²	117.9	87%	0.866	70%	0.697	S	S	*	*	S	Bend	trans	76	62.6	156.6	-45.8	-25.5	0	0	0	117.7
130	L	31	Very low	37.2	Very low	154 Å²	154	117.3 Å²	117.3	81%	0.806	69%	0.692	S	S	*	*			trans	-155.3	114	133.9	-148.2	62.2	0	0	0	110.8	S132	L130-S132 PolarHBondContact O-N 3.28Å
131	Q	27.4	Very low	37.3	Very low	208 Å²	208	117.3 Å²	117.3	97%	0.972	69%	0.692	S	S	*	*			trans	-69.6	48.1	169.6	-65.8	178.4	8.7	0	0	111.5	S133	Q131-S133 PolarHBondContact O-N 2.74Å
132	S	36	Very low	38.1	Very low	83 Å²	83	115 Å²	115	58%	0.58	68%	0.676	S	S	*	*			trans	-87.9	91.2	173.5	69	0	0	0	0	109.9	L130	L130-S132 PolarHBondContact O-N 3.28Å
133	S	33.4	Very low	40	Very low	94 Å²	94	111.3 Å²	111.3	66%	0.657	65%	0.652	S	S	*	*			trans	29.7	97.2	143.3	52	0	0	0	0	117.7	Q131 F135	Q131-S133 PolarHBondContact O-N 2.74Å; S133-F135 PolarHBondContact O-N 2.87Å
134	S	34.9	Very low	42.6	Very low	133 Å²	133	103.6 Å²	103.6	93%	0.93	62%	0.618	S	S	*	*			trans	27.5	15.6	139.2	-46.6	0	0	0	0	123.1	G136	S134-G136 PolarHBondContact O-N 3.21Å
135	F	44.1	Very low	45.6	Very low	95 Å²	95	99.2 Å²	99.2	42%	0.417	59%	0.591	S	S	.	*			trans	-86.8	108.7	175.5	-111.4	-92.2	0	0	0	109.3	V83 W86 R87 S133 H137	V83-F135 HydrophobicContact CG1-CE2 4.31Å; V83-F135 HydrophobicContact CG1-CZ 4.15Å; W86-F135 HydrophobicContact CB-CE1 4.43Å; R87-F135 HydrophobicContact CG-CE1 4.24Å; R87-F135 HydrophobicContact CG-CZ 4.08Å; S133-F135 PolarHBondContact O-N 2.87Å; F135-H137 PolarHBondContact O-N 3.3Å
136	G	37.3	Very low	48.6	Very low	56 Å²	56	93.8 Å²	93.8	58%	0.577	55%	0.553	S	S	*	*			trans	-44	127.3	-175.5	0	0	0	0	0	113.6	S134 N138	S134-G136 PolarHBondContact O-N 3.21Å; G136-N138 PolarHBondContact O-N 3.41Å
137	H	39.3	Very low	52	Low	168 Å²	168	84.1 Å²	84.1	78%	0.778	51%	0.51	S	S	*	.			trans	-73.7	63	-172.8	-141.8	-77.4	0	0	0	111.2	F135	F135-H137 PolarHBondContact O-N 3.3Å
138	N	39.9	Very low	55.3	Low	119 Å²	119	78.6 Å²	78.6	64%	0.636	47%	0.465	S	S	*	.			trans	-80	135.8	174.5	-94.5	0.1	0	0	0	111.1	G136 F140	G136-N138 PolarHBondContact O-N 3.41Å; N138-F140 HydrophobicContact CB-CD2 4.11Å; N138-F140 HydrophobicContact CB-CE2 4.11Å; N138-F140 PolarHBondContact O-N 3.42Å
139	S	44.2	Very low	58.6	Low	116 Å²	116	75.7 Å²	75.7	81%	0.811	44%	0.435	S	S	*	.			trans	-71.1	50.5	-175.1	-149.6	0	0	0	0	113.5
140	F	50.6	Low	61.9	Low	48 Å²	48	68 Å²	68	21%	0.211	39%	0.394	C	S	.	.			trans	-85.5	121.1	166.2	-67.6	-63.4	0	0	0	108.3	R93 N138 V142	R93-F140 HydrophobicContact CB-CD1 3.41Å; R93-F140 VanDerWaalsContact CB-CD1 3.41Å; R93-F140 HydrophobicContact CB-CD2 4.12Å; R93-F140 HydrophobicContact CB-CE1 3.41Å; R93-F140 VanDerWaalsContact CB-CE1 3.41Å; R93-F140 HydrophobicContact CB-CE2 4.11Å; R93-F140 HydrophobicContact CB-CG 3.78Å; R93-F140 HydrophobicContact CB-CZ 3.78Å; R93-F140 HydrophobicContact CG-CD1 4.25Å; R93-F140 HydrophobicContact CG-CG 4.4Å; R93-F140 VanDerWaalsContact O-CE1 3.23Å; R93-F140 WeakPolarHBondContact O-CE1 3.33Å; N138-F140 HydrophobicContact CB-CD2 4.11Å; N138-F140 HydrophobicContact CB-CE2 4.11Å; N138-F140 PolarHBondContact O-N 3.42Å; F140-V142 VanDerWaalsContact C-N 3.27Å; F140-V142 PolarHBondContact O-N 3.47Å
141	N	59.4	Low	65	Low	92 Å²	92	61.2 Å²	61.2	49%	0.492	36%	0.359	S	S	.	.	S	Bend	trans	-55.7	-45.8	-179.7	-70.9	-12.8	0	0	0	110	D119 N120	D119-N141 CarbonylContact C-O 3.54Å; D119-N141 WeakPolarHBondContact CA-O 3.37Å; N120-N141 PolarHBondContact N-O 2.91Å
142	V	67.3	Low	68.4	Low	20 Å²	20	51.7 Å²	51.7	12%	0.121	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-143.2	140.2	-174.8	-164.5	0	0	0	0	111.1	R93 L117 D119 F140 A144	R93-V142 PolarHBondContact NE-O 3.19Å; L117-V142 WeakPolarHBondContact O-CG1 3.43Å; D119-V142 HydrophobicContact CB-CG2 4.37Å; F140-V142 VanDerWaalsContact C-N 3.27Å; F140-V142 PolarHBondContact O-N 3.47Å; V142-A144 WeakPolarHBondContact CG1-O 3.28Å
143	A	83.2	Confident	71.3	Confident	19 Å²	19	47.8 Å²	47.8	16%	0.157	29%	0.287	C	S	.	.	S	Bend	trans	-68.3	-61.6	175.2	0	0	0	0	0	111.4	W86 I89 R93 L116	W86-A143 HydrophobicContact CZ3-CB 3.68Å; I89-A143 HydrophobicContact CG2-CB 3.96Å; I89-A143 VanDerWaalsContact CG2-O 3.25Å; I89-A143 WeakPolarHBondContact CG2-O 3.44Å; R93-A143 PolarHBondContact NE-O 2.94Å; R93-A143 PolarHBondContact NH2-O 2.72Å; L116-A143 WeakPolarHBondContact O-CB 3.48Å
144	A	92.3	Very high	74.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.272	C	S	.	.			trans	-116.5	146.4	-180	0	0	0	0	0	112.1	V104 L116 V142 V147	V104-A144 HydrophobicContact CB-CB 4.42Å; V104-A144 HydrophobicContact CG2-CB 3.82Å; L116-A144 HydrophobicContact CB-CB 4.39Å; L116-A144 PolarHBondContact O-N 2.89Å; V142-A144 WeakPolarHBondContact CG1-O 3.28Å; A144-V147 HydrophobicContact CB-CG1 4.43Å
145	D	93.8	Very high	77.4	Confident	22 Å²	22	44.4 Å²	44.4	12%	0.118	25%	0.245	C	C	.	.	S	Bend	trans	-76.3	-33.8	173.9	-64.8	-91.8	0	0	0	111.2	R93 K101 I102 A163 K168	R93-D145 IonicContact CZ-OD2 3.28Å; R93-D145 IonicContact NH1-OD2 2.74Å; R93-D145 PolarHBondContact NH1-OD2 2.94Å; R93-D145 VanDerWaalsContact NH1-OD2 3.16Å; R93-D145 IonicContact NH2-OD1 2.72Å; R93-D145 IonicContact NH2-OD2 3.53Å; R93-D145 PolarHBondContact NH2-OD2 3.49Å; K101-D145 WeakPolarHBondContact CA-OD2 3.44Å; K101-D145 HydrophobicContact CB-CB 4.36Å; K101-D145 HydrophobicContact CD-CB 4.05Å; K101-D145 VanDerWaalsContact CD-CG 3.42Å; K101-D145 WeakPolarHBondContact CD-OD1 3.39Å; K101-D145 IonicContact NZ-OD1 3.9Å; K101-D145 PolarHBondContact NZ-OD1 3.21Å; I102-D145 PolarHBondContact N-OD2 3.38Å; I102-D145 PolarHBondContact O-N 3.12Å; D145-A163 HydrophobicContact CB-CB 4.15Å; D145-K168 WeakPolarHBondContact O-CA 3.25Å
146	F	96.9	Very high	79.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	163.8	173.7	64.3	-87	0	0	0	112.2	T69 L71 I102 G103 V104 L105 L156 L159 I160 A163 G169	T69-F146 HydrophobicContact CG2-CE1 4.23Å; T69-F146 HydrophobicContact CG2-CZ 4.25Å; L71-F146 HydrophobicContact CD2-CE2 4.02Å; L71-F146 HydrophobicContact CD2-CZ 3.52Å; I102-F146 PolarHBondContact O-N 3.41Å; G103-F146 WeakPolarHBondContact CA-O 3.49Å; V104-F146 PolarHBondContact N-O 3.18Å; V104-F146 VanDerWaalsContact N-O 3.08Å; L105-F146 HydrophobicContact CD2-CE2 4.28Å; F146-L156 HydrophobicContact CE2-CD2 4.13Å; F146-L159 HydrophobicContact CB-CB 4.43Å; F146-L159 HydrophobicContact CB-CD2 4.46Å; F146-L159 HydrophobicContact CD2-CB 3.73Å; F146-L159 HydrophobicContact CD2-CD1 4.13Å; F146-L159 HydrophobicContact CD2-CG 4.44Å; F146-L159 HydrophobicContact CE2-CB 4.08Å; F146-L159 HydrophobicContact CG-CB 4.07Å; F146-I160 HydrophobicContact CE1-CG1 4.1Å; F146-I160 HydrophobicContact CE2-CG1 4.42Å; F146-I160 HydrophobicContact CZ-CG1 3.6Å; F146-A163 HydrophobicContact CD1-CB 3.63Å; F146-A163 HydrophobicContact CE1-CB 4.07Å; F146-G169 CarbonylContact C-O 3.59Å; F146-G169 WeakPolarHBondContact CA-O 3.29Å; F146-G169 VanDerWaalsContact CB-O 3.27Å; F146-G169 WeakPolarHBondContact CB-O 3.32Å
147	V	97.7	Very high	82.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.8	174.2	-58.8	0	0	0	0	111.5	V104 A109 K113 L116 L117 A144 G169 A170 S171 V172	V104-V147 HydrophobicContact CB-CG1 4.36Å; V104-V147 VanDerWaalsContact O-CA 3.26Å; V104-V147 WeakPolarHBondContact O-CA 3.25Å; A109-V147 HydrophobicContact CB-CB 4.05Å; K113-V147 HydrophobicContact CB-CG2 4.17Å; K113-V147 HydrophobicContact CG-CG2 3.88Å; L116-V147 HydrophobicContact CB-CG1 3.78Å; L116-V147 HydrophobicContact CD1-CG1 3.89Å; L116-V147 HydrophobicContact CG-CG1 4.48Å; L117-V147 HydrophobicContact CD1-CG2 4.03Å; L117-V147 HydrophobicContact CD2-CG1 4.17Å; L117-V147 HydrophobicContact CG-CG1 4.19Å; L117-V147 HydrophobicContact CG-CG2 4.42Å; A144-V147 HydrophobicContact CB-CG1 4.43Å; V147-G169 PolarHBondContact N-O 3.25Å; V147-A170 HydrophobicContact CG2-CB 3.66Å; V147-A170 WeakPolarHBondContact O-CA 3.45Å; V147-S171 PolarHBondContact O-N 3.09Å; V147-V172 HydrophobicContact CG2-CG1 3.91Å
148	C	98.3	Very high	85.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	122.7	178	162.9	0	0	0	0	112.4	V104 L105 G106 A109 S152 L156 L159 S171	V104-C148 PolarHBondContact O-N 3.25Å; L105-C148 CarbonylContact C-O 3.52Å; L105-C148 VanDerWaalsContact CA-O 3.22Å; L105-C148 WeakPolarHBondContact CA-O 3.49Å; L105-C148 HydrophobicContact CD2-CB 3.58Å; G106-C148 PolarHBondContact N-O 2.71Å; A109-C148 WeakPolarHBondContact CB-O 3.4Å; C148-S152 PolarHBondContact SG-O 3.41Å; C148-L156 HydrophobicContact CB-CD2 3.93Å; C148-L159 HydrophobicContact CB-CD1 3.64Å; C148-S171 CarbonylContact C-O 3.39Å; C148-S171 VanDerWaalsContact CA-O 3.23Å; C148-S171 WeakPolarHBondContact CA-O 3.42Å
149	G	96.8	Very high	88.2	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.01	17%	0.165	C	C	.	.			trans	-78.6	168.3	-176.1	0	0	0	0	0	112.3	D151 S152 S171	G149-D151 PolarHBondContact O-N 2.97Å; G149-S152 PolarHBondContact O-N 3.48Å; G149-S152 VanDerWaalsContact O-N 3.12Å; G149-S171 PolarHBondContact N-O 3.27Å
150	P	96	Very high	90.8	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-22.8	-174.3	-30.5	40.3	0	0	0	116.8	G106 Y153 Y180 R210 V224	G106-P150 WeakPolarHBondContact O-CD 3.48Å; P150-Y153 WeakPolarHBondContact O-CD2 3.26Å; P150-Y153 VanDerWaalsContact O-CE2 3.24Å; P150-Y153 WeakPolarHBondContact O-CE2 3.49Å; P150-Y180 WeakPolarHBondContact O-CE2 3.4Å; P150-Y180 PolarHBondContact O-OH 2.83Å; P150-Y180 VanDerWaalsContact O-OH 3.05Å; P150-R210 PolarHBondContact O-NH1 2.77Å; P150-V224 WeakPolarHBondContact CD-O 3.5Å; P150-V224 WeakPolarHBondContact CG-O 3.31Å
151	D	96.8	Very high	92.9	Very high	11 Å²	11	27.8 Å²	27.8	6%	0.059	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	10.3	-174.7	-61.2	-18.2	0	0	0	112.6	G149 S175 Y180 R210 R229	G149-D151 PolarHBondContact O-N 2.97Å; D151-S175 PolarHBondContact OD2-N 2.97Å; D151-Y180 VanDerWaalsContact C-OH 3.25Å; D151-R210 IonicContact OD1-NH1 2.72Å; D151-R229 IonicContact OD1-CZ 3.31Å; D151-R229 IonicContact OD1-NH2 2.71Å; D151-R229 PolarHBondContact OD1-NH2 2.99Å; D151-R229 IonicContact OD2-CZ 2.7Å; D151-R229 IonicContact OD2-NH2 3.5Å; D151-R229 PolarHBondContact OD2-NH2 2.88Å
152	S	97.5	Very high	94.6	Very high	8 Å²	8	25.1 Å²	25.1	6%	0.056	13%	0.125	C	C	.	.			trans	-128.2	18.9	-171.9	-54.8	0	0	0	0	112.8	C148 G149 R154 D155 S171 Y180	C148-S152 PolarHBondContact SG-O 3.41Å; G149-S152 PolarHBondContact O-N 3.48Å; G149-S152 VanDerWaalsContact O-N 3.12Å; S152-R154 PolarHBondContact O-N 3.01Å; S152-R154 VanDerWaalsContact O-N 3.17Å; S152-D155 WeakPolarHBondContact O-CB 3.37Å; S152-D155 PolarHBondContact O-N 2.9Å; S152-S171 WeakPolarHBondContact CB-O 3.43Å; S152-S171 VanDerWaalsContact CB-OG 3.27Å; S152-S171 WeakPolarHBondContact CB-OG 3.44Å; S152-S171 PolarHBondContact OG-O 3.49Å; S152-S171 PolarHBondContact OG-OG 3.47Å; S152-Y180 PolarHBondContact N-OH 3.15Å
153	Y	98	Very high	95.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-64.7	-20.4	-177.3	-59.8	-44	0	0	0	112.9	D45 I48 M73 L105 G106 P150 D155 L156 Y180	D45-Y153 HydrophobicContact CB-CE2 3.66Å; D45-Y153 WeakPolarHBondContact CB-OH 3.4Å; D45-Y153 PolarHBondContact OD2-OH 3.47Å; I48-Y153 HydrophobicContact CG2-CD2 4.35Å; M73-Y153 HydrophobicContact CE-CD1 4.44Å; M73-Y153 HydrophobicContact CE-CE1 3.72Å; M73-Y153 HydrophobicContact SD-CE1 4.17Å; M73-Y153 PolarHBondContact SD-OH 3.4Å; L105-Y153 HydrophobicContact CB-CE1 4.26Å; G106-Y153 WeakPolarHBondContact CA-OH 3.17Å; P150-Y153 WeakPolarHBondContact O-CD2 3.26Å; P150-Y153 VanDerWaalsContact O-CE2 3.24Å; P150-Y153 WeakPolarHBondContact O-CE2 3.49Å; Y153-D155 PolarHBondContact O-N 2.96Å; Y153-L156 HydrophobicContact CD1-CD1 4.25Å; Y153-L156 VanDerWaalsContact O-CB 3.3Å; Y153-L156 WeakPolarHBondContact O-CB 3.44Å; Y153-L156 WeakPolarHBondContact O-CD1 3.26Å; Y153-L156 WeakPolarHBondContact O-CG 3.36Å; Y153-L156 PolarHBondContact O-N 3.48Å; Y153-Y180 WeakPolarHBondContact CB-OH 3.33Å; Y153-Y180 HydrophobicContact CD2-CE1 4.32Å; Y153-Y180 AromaticContact CD2-CE2 3.97Å; Y153-Y180 HydrophobicContact CD2-CE2 3.97Å; Y153-Y180 AromaticContact CD2-CZ 3.62Å; Y153-Y180 VanDerWaalsContact CD2-OH 3.27Å; Y153-Y180 WeakPolarHBondContact CD2-OH 3.31Å; Y153-Y180 PolarHBondContact N-OH 2.81Å
154	R	97.4	Very high	96.3	Very high	89 Å²	89	24.8 Å²	24.8	34%	0.336	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-64.9	-22.7	171.4	-59.8	-169.8	-165.8	-98.4	-5.8	113.1	L52 S152 L156 P157 E178 Y180 D182	L52-R154 HydrophobicContact CD1-CG 4.23Å; L52-R154 HydrophobicContact CD2-CG 4.36Å; S152-R154 PolarHBondContact O-N 3.01Å; S152-R154 VanDerWaalsContact O-N 3.17Å; R154-L156 VanDerWaalsContact C-N 3.26Å; R154-L156 PolarHBondContact O-N 3.38Å; R154-P157 WeakPolarHBondContact O-CD 3.27Å; R154-E178 IonicContact CZ-OE1 3.77Å; R154-E178 IonicContact CZ-OE2 2.68Å; R154-E178 IonicContact NE-OE1 3.58Å; R154-E178 IonicContact NE-OE2 2.64Å; R154-E178 PolarHBondContact NE-OE2 3.48Å; R154-E178 IonicContact NH2-OE1 2.76Å; R154-E178 PolarHBondContact NH2-OE1 3.04Å; R154-E178 IonicContact NH2-OE2 3.39Å; R154-E178 PolarHBondContact NH2-OE2 3.19Å; R154-Y180 HydrophobicContact CG-CE1 4.06Å; R154-D182 IonicContact CZ-OD1 3.86Å; R154-D182 IonicContact CZ-OD2 3.25Å; R154-D182 IonicContact NH1-OD1 3.18Å; R154-D182 PolarHBondContact NH1-OD1 3.36Å; R154-D182 IonicContact NH1-OD2 2.84Å; R154-D182 PolarHBondContact NH1-OD2 3.49Å; R154-D182 IonicContact NH2-OD1 3.25Å; R154-D182 PolarHBondContact NH2-OD1 2.91Å; R154-D182 IonicContact NH2-OD2 3.71Å
155	D	97.9	Very high	96.3	Very high	68 Å²	68	29 Å²	29	36%	0.364	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-82.5	-5.8	179.2	-54.8	-24.1	0	0	0	112.2	S152 Y153 K158 L159 S171	S152-D155 WeakPolarHBondContact O-CB 3.37Å; S152-D155 PolarHBondContact O-N 2.9Å; Y153-D155 PolarHBondContact O-N 2.96Å; D155-K158 PolarHBondContact O-N 3.36Å; D155-K158 VanDerWaalsContact O-N 3.16Å; D155-L159 HydrophobicContact CB-CD1 4.18Å; D155-L159 HydrophobicContact CB-CG 4.43Å; D155-L159 WeakPolarHBondContact O-CG 3.44Å; D155-L159 PolarHBondContact O-N 3.34Å; D155-S171 WeakPolarHBondContact OD2-CB 2.91Å; D155-S171 PolarHBondContact OD2-OG 3.39Å
156	L	98.2	Very high	96	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.5	-47.6	-176.7	-74	172	0	0	0	113.8	A49 L53 L105 F146 C148 Y153 R154 K158 L159 I160	A49-L156 HydrophobicContact CB-CD1 3.64Å; L53-L156 HydrophobicContact CD1-CD1 4.46Å; L53-L156 HydrophobicContact CD2-CB 4.02Å; L105-L156 HydrophobicContact CD1-CD1 4.17Å; L105-L156 HydrophobicContact CD1-CD2 3.9Å; L105-L156 HydrophobicContact CD2-CD2 3.48Å; L105-L156 VanDerWaalsContact CD2-CD2 3.48Å; L105-L156 HydrophobicContact CG-CD2 4.37Å; F146-L156 HydrophobicContact CE2-CD2 4.13Å; C148-L156 HydrophobicContact CB-CD2 3.93Å; Y153-L156 HydrophobicContact CD1-CD1 4.25Å; Y153-L156 VanDerWaalsContact O-CB 3.3Å; Y153-L156 WeakPolarHBondContact O-CB 3.44Å; Y153-L156 WeakPolarHBondContact O-CD1 3.26Å; Y153-L156 WeakPolarHBondContact O-CG 3.36Å; Y153-L156 PolarHBondContact O-N 3.48Å; R154-L156 VanDerWaalsContact C-N 3.26Å; R154-L156 PolarHBondContact O-N 3.38Å; L156-K158 VanDerWaalsContact C-N 3.27Å; L156-K158 PolarHBondContact O-N 2.92Å; L156-L159 PolarHBondContact O-N 2.85Å; L156-I160 WeakPolarHBondContact O-CD1 3.46Å; L156-I160 VanDerWaalsContact O-CG1 3.24Å; L156-I160 WeakPolarHBondContact O-CG1 3.45Å; L156-I160 PolarHBondContact O-N 2.92Å
157	P	97	Very high	95.6	Very high	31 Å²	31	35.7 Å²	35.7	20%	0.201	20%	0.197	C	C	.	.	H	α-helix	trans	-53.9	-45.9	176.8	-27.8	37.5	0	0	0	112	L53 A56 Y58 R154 I160 E161	L53-P157 HydrophobicContact CD2-CG 4.42Å; A56-P157 HydrophobicContact CB-CB 3.98Å; A56-P157 HydrophobicContact CB-CG 3.6Å; Y58-P157 HydrophobicContact CE2-CB 4.02Å; Y58-P157 PolarHBondContact OH-O 3.25Å; R154-P157 WeakPolarHBondContact O-CD 3.27Å; P157-I160 PolarHBondContact O-N 2.9Å; P157-E161 PolarHBondContact O-N 3.4Å
158	K	96.3	Very high	95.2	Very high	105 Å²	105	40.5 Å²	40.5	46%	0.457	22%	0.218	S	C	.	.	H	α-helix	trans	-67.1	-43.9	-178.9	-175.1	55.2	-178.2	153.1	0	112.1	D155 L156 I160 E161 D162	D155-K158 PolarHBondContact O-N 3.36Å; D155-K158 VanDerWaalsContact O-N 3.16Å; L156-K158 VanDerWaalsContact C-N 3.27Å; L156-K158 PolarHBondContact O-N 2.92Å; K158-I160 VanDerWaalsContact C-N 3.3Å; K158-I160 PolarHBondContact O-N 3.25Å; K158-E161 WeakPolarHBondContact CD-OE2 3.25Å; K158-E161 IonicContact NZ-OE2 3.16Å; K158-E161 PolarHBondContact NZ-OE2 3.19Å; K158-E161 PolarHBondContact O-N 3.37Å; K158-D162 WeakPolarHBondContact CE-OD1 3.16Å; K158-D162 IonicContact NZ-OD1 2.82Å; K158-D162 PolarHBondContact NZ-OD1 2.86Å; K158-D162 IonicContact NZ-OD2 3.94Å; K158-D162 WeakPolarHBondContact O-CB 3.36Å; K158-D162 VanDerWaalsContact O-CG 3.25Å; K158-D162 PolarHBondContact O-N 3.11Å
159	L	97.3	Very high	94.8	Very high	13 Å²	13	41 Å²	41	7%	0.068	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-36.1	178	-70.3	169.4	0	0	0	112.6	F146 C148 D155 L156 A163	F146-L159 HydrophobicContact CB-CB 4.43Å; F146-L159 HydrophobicContact CB-CD2 4.46Å; F146-L159 HydrophobicContact CD2-CB 3.73Å; F146-L159 HydrophobicContact CD2-CD1 4.13Å; F146-L159 HydrophobicContact CD2-CG 4.44Å; F146-L159 HydrophobicContact CE2-CB 4.08Å; F146-L159 HydrophobicContact CG-CB 4.07Å; C148-L159 HydrophobicContact CB-CD1 3.64Å; D155-L159 HydrophobicContact CB-CD1 4.18Å; D155-L159 HydrophobicContact CB-CG 4.43Å; D155-L159 WeakPolarHBondContact O-CG 3.44Å; D155-L159 PolarHBondContact O-N 3.34Å; L156-L159 PolarHBondContact O-N 2.85Å; L159-A163 VanDerWaalsContact O-CB 3.22Å; L159-A163 WeakPolarHBondContact O-CB 3.29Å; L159-A163 PolarHBondContact O-N 2.94Å
160	I	97.2	Very high	94.8	Very high	1 Å²	1	43 Å²	43	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-69.3	-46.2	177	-68.4	163.6	0	0	0	110.6	I32 L53 Y58 T69 F146 L156 P157 K158 D162 A163 H164	I32-I160 HydrophobicContact CD1-CD1 3.93Å; I32-I160 HydrophobicContact CD1-CG2 4.3Å; L53-I160 HydrophobicContact CD1-CD1 4.49Å; L53-I160 HydrophobicContact CD2-CD1 3.45Å; L53-I160 VanDerWaalsContact CD2-CD1 3.45Å; Y58-I160 HydrophobicContact CE1-CB 4.47Å; Y58-I160 HydrophobicContact CE1-CG2 3.69Å; T69-I160 HydrophobicContact CG2-CG1 4.4Å; F146-I160 HydrophobicContact CE1-CG1 4.1Å; F146-I160 HydrophobicContact CE2-CG1 4.42Å; F146-I160 HydrophobicContact CZ-CG1 3.6Å; L156-I160 WeakPolarHBondContact O-CD1 3.46Å; L156-I160 VanDerWaalsContact O-CG1 3.24Å; L156-I160 WeakPolarHBondContact O-CG1 3.45Å; L156-I160 PolarHBondContact O-N 2.92Å; P157-I160 PolarHBondContact O-N 2.9Å; K158-I160 VanDerWaalsContact C-N 3.3Å; K158-I160 PolarHBondContact O-N 3.25Å; I160-D162 PolarHBondContact O-N 3.28Å; I160-A163 PolarHBondContact O-N 2.92Å; I160-H164 PolarHBondContact O-CD2 2.81Å; I160-H164 PolarHBondContact O-N 2.94Å
161	E	95.1	Very high	94.8	Very high	103 Å²	103	44 Å²	44	48%	0.481	25%	0.247	S	C	.	.	H	α-helix	trans	-57.4	-48.9	175.7	-175.8	-170.2	-153.6	0	0	111.4	P157 K158 A163 H164 S165	P157-E161 PolarHBondContact O-N 3.4Å; K158-E161 WeakPolarHBondContact CD-OE2 3.25Å; K158-E161 IonicContact NZ-OE2 3.16Å; K158-E161 PolarHBondContact NZ-OE2 3.19Å; K158-E161 PolarHBondContact O-N 3.37Å; E161-A163 PolarHBondContact O-N 3.4Å; E161-H164 PolarHBondContact O-N 2.8Å; E161-S165 WeakPolarHBondContact O-CB 3.46Å; E161-S165 PolarHBondContact O-N 3.26Å; E161-S165 PolarHBondContact O-OG 3.47Å
162	D	95.2	Very high	94.7	Very high	35 Å²	35	44.2 Å²	44.2	19%	0.187	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-44.2	178.7	-72.8	-11.9	0	0	0	110.9	K158 I160 H164 S165 G166 L167	K158-D162 WeakPolarHBondContact CE-OD1 3.16Å; K158-D162 IonicContact NZ-OD1 2.82Å; K158-D162 PolarHBondContact NZ-OD1 2.86Å; K158-D162 IonicContact NZ-OD2 3.94Å; K158-D162 WeakPolarHBondContact O-CB 3.36Å; K158-D162 VanDerWaalsContact O-CG 3.25Å; K158-D162 PolarHBondContact O-N 3.11Å; I160-D162 PolarHBondContact O-N 3.28Å; D162-H164 PolarHBondContact O-N 2.94Å; D162-S165 CarbonylContact O-C 3.52Å; D162-S165 WeakPolarHBondContact O-CA 3.47Å; D162-S165 WeakPolarHBondContact O-CB 3.43Å; D162-S165 PolarHBondContact O-N 2.98Å; D162-S165 VanDerWaalsContact O-N 3.07Å; D162-G166 PolarHBondContact O-N 2.94Å; D162-G166 VanDerWaalsContact O-N 3.09Å; D162-L167 CarbonylContact C-O 3.56Å; D162-L167 HydrophobicContact CB-CB 4.05Å; D162-L167 HydrophobicContact CB-CD1 4.47Å; D162-L167 WeakPolarHBondContact O-CB 3.42Å; D162-L167 PolarHBondContact O-N 2.99Å
163	A	93.4	Very high	94.6	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-61.3	-41.3	177.9	0	0	0	0	0	113.2	K101 D145 F146 L159 I160 E161 S165 G166 L167	K101-A163 HydrophobicContact CB-CB 4.38Å; K101-A163 HydrophobicContact CD-CB 4.24Å; K101-A163 WeakPolarHBondContact CD-O 3.43Å; K101-A163 WeakPolarHBondContact CE-O 3.42Å; K101-A163 HydrophobicContact CG-CB 4.2Å; K101-A163 PolarHBondContact NZ-O 2.91Å; D145-A163 HydrophobicContact CB-CB 4.15Å; F146-A163 HydrophobicContact CD1-CB 3.63Å; F146-A163 HydrophobicContact CE1-CB 4.07Å; L159-A163 VanDerWaalsContact O-CB 3.22Å; L159-A163 WeakPolarHBondContact O-CB 3.29Å; L159-A163 PolarHBondContact O-N 2.94Å; I160-A163 PolarHBondContact O-N 2.92Å; E161-A163 PolarHBondContact O-N 3.4Å; A163-S165 VanDerWaalsContact C-N 3.29Å; A163-G166 PolarHBondContact O-N 2.96Å; A163-G166 VanDerWaalsContact O-N 3.13Å; A163-L167 VanDerWaalsContact CA-O 3.22Å; A163-L167 WeakPolarHBondContact CA-O 3.14Å; A163-L167 PolarHBondContact N-O 2.87Å
164	H	93.2	Very high	94.5	Very high	32 Å²	32	50.2 Å²	50.2	15%	0.148	29%	0.289	C	S	.	.	H	α-helix	trans	-72.1	-24.2	175.1	-80	-64.8	0	0	0	113.3	R29 D68 T69 K101 I160 E161 D162 G166	R29-H164 WeakPolarHBondContact CD-ND1 3.16Å; R29-H164 PolarHBondContact NH1-ND1 3.46Å; D68-H164 PolarHBondContact O-CE1 3.19Å; D68-H164 VanDerWaalsContact O-CE1 3.26Å; T69-H164 PolarHBondContact OG1-NE2 2.94Å; K101-H164 VanDerWaalsContact CG-CE1 3.44Å; K101-H164 WeakPolarHBondContact CG-CE1 3.24Å; K101-H164 WeakPolarHBondContact CG-ND1 3.25Å; I160-H164 PolarHBondContact O-CD2 2.81Å; I160-H164 PolarHBondContact O-N 2.94Å; E161-H164 PolarHBondContact O-N 2.8Å; D162-H164 PolarHBondContact O-N 2.94Å; H164-G166 PolarHBondContact O-N 3.44Å
165	S	91.5	Very high	94.3	Very high	89 Å²	89	47.7 Å²	47.7	62%	0.622	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-3.5	169.5	-55.5	0	0	0	0	113.2	E161 D162 A163	E161-S165 WeakPolarHBondContact O-CB 3.46Å; E161-S165 PolarHBondContact O-N 3.26Å; E161-S165 PolarHBondContact O-OG 3.47Å; D162-S165 CarbonylContact O-C 3.52Å; D162-S165 WeakPolarHBondContact O-CA 3.47Å; D162-S165 WeakPolarHBondContact O-CB 3.43Å; D162-S165 PolarHBondContact O-N 2.98Å; D162-S165 VanDerWaalsContact O-N 3.07Å; A163-S165 VanDerWaalsContact C-N 3.29Å
166	G	87.5	Confident	93.9	Very high	57 Å²	57	50.9 Å²	50.9	59%	0.588	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	3.2	178.1	0	0	0	0	0	114.5	D162 A163 H164	D162-G166 PolarHBondContact O-N 2.94Å; D162-G166 VanDerWaalsContact O-N 3.09Å; A163-G166 PolarHBondContact O-N 2.96Å; A163-G166 VanDerWaalsContact O-N 3.13Å; H164-G166 PolarHBondContact O-N 3.44Å
167	L	90.5	Very high	93.6	Very high	104 Å²	104	58.8 Å²	58.8	55%	0.545	34%	0.339	S	S	.	.			trans	-86.7	134.7	176.2	-60.4	176.3	0	0	0	110.4	D162 A163	D162-L167 CarbonylContact C-O 3.56Å; D162-L167 HydrophobicContact CB-CB 4.05Å; D162-L167 HydrophobicContact CB-CD1 4.47Å; D162-L167 WeakPolarHBondContact O-CB 3.42Å; D162-L167 PolarHBondContact O-N 2.99Å; A163-L167 VanDerWaalsContact CA-O 3.22Å; A163-L167 WeakPolarHBondContact CA-O 3.14Å; A163-L167 PolarHBondContact N-O 2.87Å
168	K	88.2	Confident	93.5	Very high	102 Å²	102	58.9 Å²	58.9	44%	0.443	34%	0.336	S	S	.	.			trans	-85.4	140.8	169.9	-62.6	179	-171.7	174.1	0	109.3	D119 D145	D119-K168 IonicContact OD2-NZ 3.35Å; D145-K168 WeakPolarHBondContact O-CA 3.25Å
169	G	90.6	Very high	93.4	Very high	11 Å²	11	54.8 Å²	54.8	11%	0.113	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.9	-176.5	0	0	0	0	0	113.4	F146 V147	F146-G169 CarbonylContact C-O 3.59Å; F146-G169 WeakPolarHBondContact CA-O 3.29Å; F146-G169 VanDerWaalsContact CB-O 3.27Å; F146-G169 WeakPolarHBondContact CB-O 3.32Å; V147-G169 PolarHBondContact N-O 3.25Å
170	A	95.7	Very high	93.3	Very high	41 Å²	41	54.3 Å²	54.3	34%	0.339	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	118.5	170.6	0	0	0	0	0	110	K113 L117 V147	K113-A170 HydrophobicContact CD-CB 3.88Å; K113-A170 HydrophobicContact CG-CB 4.08Å; L117-A170 HydrophobicContact CD1-CB 3.82Å; V147-A170 HydrophobicContact CG2-CB 3.66Å; V147-A170 WeakPolarHBondContact O-CA 3.45Å
171	S	97	Very high	93.1	Very high	23 Å²	23	55.6 Å²	55.6	16%	0.161	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	101	165.8	-167.8	0	0	0	0	109.9	V147 C148 G149 S152 D155	V147-S171 PolarHBondContact O-N 3.09Å; C148-S171 CarbonylContact C-O 3.39Å; C148-S171 VanDerWaalsContact CA-O 3.23Å; C148-S171 WeakPolarHBondContact CA-O 3.42Å; G149-S171 PolarHBondContact N-O 3.27Å; S152-S171 WeakPolarHBondContact CB-O 3.43Å; S152-S171 VanDerWaalsContact CB-OG 3.27Å; S152-S171 WeakPolarHBondContact CB-OG 3.44Å; S152-S171 PolarHBondContact OG-O 3.49Å; S152-S171 PolarHBondContact OG-OG 3.47Å; D155-S171 WeakPolarHBondContact OD2-CB 2.91Å; D155-S171 PolarHBondContact OD2-OG 3.39Å
172	V	95.2	Very high	92.9	Very high	16 Å²	16	55.8 Å²	55.8	10%	0.097	33%	0.333	C	S	.	.			trans	-136.7	22.8	-173.9	-59.9	0	0	0	0	111.5	K110 K113 V147	K110-V172 HydrophobicContact CD-CB 3.81Å; K110-V172 HydrophobicContact CD-CG2 4.21Å; K110-V172 WeakPolarHBondContact CD-O 3.39Å; K110-V172 WeakPolarHBondContact CE-O 3.43Å; K110-V172 PolarHBondContact NZ-O 2.9Å; K113-V172 HydrophobicContact CD-CG2 3.72Å; V147-V172 HydrophobicContact CG2-CG1 3.91Å
173	A	94.8	Very high	92.6	Very high	70 Å²	70	54.7 Å²	54.7	58%	0.579	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-66.8	145	172.3	0	0	0	0	0	109.1
174	L	94.6	Very high	92.3	Very high	64 Å²	64	59.4 Å²	59.4	34%	0.335	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-91.2	138.7	173.3	-63.3	173.6	0	0	0	107.9	K110 V224	K110-L174 HydrophobicContact CD-CD2 4.48Å; K110-L174 HydrophobicContact CG-CD2 4.5Å; L174-V224 WeakPolarHBondContact CD2-O 3.5Å
175	S	93.8	Very high	91.8	Very high	36 Å²	36	59 Å²	59	25%	0.252	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-101.1	146.3	178.4	-179	0	0	0	0	110.4	D151 E177 E178	D151-S175 PolarHBondContact OD2-N 2.97Å; S175-E177 PolarHBondContact OG-N 2.89Å; S175-E177 VanDerWaalsContact OG-N 3.14Å; S175-E178 WeakPolarHBondContact OG-CB 3.4Å; S175-E178 PolarHBondContact OG-N 2.88Å
176	L	90.9	Very high	91.3	Very high	134 Å²	134	56.8 Å²	56.8	70%	0.702	34%	0.339	S	S	*	.	S	Bend	trans	-84.7	-14.6	171.3	-64.9	177.1	0	0	0	112.3
177	E	91.8	Very high	90.9	Very high	167 Å²	167	55.9 Å²	55.9	78%	0.78	32%	0.318	S	S	*	.	S	Bend	trans	-123.4	-29.3	-168.2	-63.6	175.1	-176	0	0	113.2	S175 T179	S175-E177 PolarHBondContact OG-N 2.89Å; S175-E177 VanDerWaalsContact OG-N 3.14Å; E177-T179 PolarHBondContact O-N 2.83Å; E177-T179 VanDerWaalsContact O-N 3.16Å
178	E	94.5	Very high	89.7	Confident	32 Å²	32	55.6 Å²	55.6	15%	0.15	31%	0.309	C	S	.	.			trans	-64.2	117	-171	179.6	61.8	-87.2	0	0	112.6	R154 S175 Y180 R229	R154-E178 IonicContact CZ-OE1 3.77Å; R154-E178 IonicContact CZ-OE2 2.68Å; R154-E178 IonicContact NE-OE1 3.58Å; R154-E178 IonicContact NE-OE2 2.64Å; R154-E178 PolarHBondContact NE-OE2 3.48Å; R154-E178 IonicContact NH2-OE1 2.76Å; R154-E178 PolarHBondContact NH2-OE1 3.04Å; R154-E178 IonicContact NH2-OE2 3.39Å; R154-E178 PolarHBondContact NH2-OE2 3.19Å; S175-E178 WeakPolarHBondContact OG-CB 3.4Å; S175-E178 PolarHBondContact OG-N 2.88Å; E178-Y180 HydrophobicContact CG-CD1 4.49Å; E178-Y180 HydrophobicContact CG-CD2 3.98Å; E178-Y180 HydrophobicContact CG-CE1 4.16Å; E178-Y180 HydrophobicContact CG-CE2 3.59Å; E178-Y180 HydrophobicContact CG-CG 4.42Å; E178-Y180 WeakPolarHBondContact OE1-CA 3.35Å; E178-Y180 PolarHBondContact OE1-N 3.1Å; E178-R229 VanDerWaalsContact O-CD 3.29Å; E178-R229 WeakPolarHBondContact O-CD 3.3Å; E178-R229 PolarHBondContact O-NE 2.87Å
179	T	94.4	Very high	88.3	Confident	19 Å²	19	55.6 Å²	55.6	12%	0.117	31%	0.311	C	S	.	.			trans	-123.4	-9.6	177	55.2	0	0	0	0	113.4	E177 A181 R229 R231	E177-T179 PolarHBondContact O-N 2.83Å; E177-T179 VanDerWaalsContact O-N 3.16Å; T179-A181 PolarHBondContact O-N 3.42Å; T179-R229 HydrophobicContact CG2-CB 4.24Å; T179-R229 HydrophobicContact CG2-CG 3.91Å; T179-R231 HydrophobicContact CG2-CG 4.17Å
180	Y	95	Very high	86.6	Confident	3 Å²	3	61.2 Å²	61.2	1%	0.012	33%	0.332	C	S	.	.			trans	57.2	30.3	-169.7	-54.3	-86.6	0	0	0	113.5	I48 L52 P150 D151 S152 Y153 R154 E178 D182 V183 R210	I48-Y180 HydrophobicContact CD1-CD2 4.27Å; I48-Y180 HydrophobicContact CD1-CG 4.3Å; I48-Y180 HydrophobicContact CG2-CD1 3.6Å; I48-Y180 HydrophobicContact CG2-CD2 4.31Å; I48-Y180 HydrophobicContact CG2-CE1 4.01Å; I48-Y180 HydrophobicContact CG2-CG 3.75Å; L52-Y180 HydrophobicContact CD1-CD1 4.29Å; L52-Y180 HydrophobicContact CD1-CE1 4.04Å; P150-Y180 WeakPolarHBondContact O-CE2 3.4Å; P150-Y180 PolarHBondContact O-OH 2.83Å; P150-Y180 VanDerWaalsContact O-OH 3.05Å; D151-Y180 VanDerWaalsContact C-OH 3.25Å; S152-Y180 PolarHBondContact N-OH 3.15Å; Y153-Y180 WeakPolarHBondContact CB-OH 3.33Å; Y153-Y180 HydrophobicContact CD2-CE1 4.32Å; Y153-Y180 AromaticContact CD2-CE2 3.97Å; Y153-Y180 HydrophobicContact CD2-CE2 3.97Å; Y153-Y180 AromaticContact CD2-CZ 3.62Å; Y153-Y180 VanDerWaalsContact CD2-OH 3.27Å; Y153-Y180 WeakPolarHBondContact CD2-OH 3.31Å; Y153-Y180 PolarHBondContact N-OH 2.81Å; R154-Y180 HydrophobicContact CG-CE1 4.06Å; E178-Y180 HydrophobicContact CG-CD1 4.49Å; E178-Y180 HydrophobicContact CG-CD2 3.98Å; E178-Y180 HydrophobicContact CG-CE1 4.16Å; E178-Y180 HydrophobicContact CG-CE2 3.59Å; E178-Y180 HydrophobicContact CG-CG 4.42Å; E178-Y180 WeakPolarHBondContact OE1-CA 3.35Å; E178-Y180 PolarHBondContact OE1-N 3.1Å; Y180-D182 PolarHBondContact O-N 3.17Å; Y180-D182 VanDerWaalsContact O-N 3.17Å; Y180-V183 HydrophobicContact CD1-CG2 4.11Å; Y180-V183 PolarHBondContact O-N 2.86Å; Y180-R210 VanDerWaalsContact CD2-CZ 3.47Å; Y180-R210 VanDerWaalsContact CE2-CZ 3.46Å
181	A	91.7	Very high	84.2	Confident	29 Å²	29	63.7 Å²	63.7	24%	0.24	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.8	-179.4	0	0	0	0	0	114.1	T179 R231 S235	T179-A181 PolarHBondContact O-N 3.42Å; A181-R231 HydrophobicContact CB-CG 4.18Å; A181-S235 PolarHBondContact O-OG 3.35Å; A181-S235 VanDerWaalsContact O-OG 3.09Å
182	D	90.9	Very high	81.9	Confident	107 Å²	107	65 Å²	65	57%	0.572	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	0.4	178.1	64.7	-48.3	0	0	0	113.6	R154 Y180	R154-D182 IonicContact CZ-OD1 3.86Å; R154-D182 IonicContact CZ-OD2 3.25Å; R154-D182 IonicContact NH1-OD1 3.18Å; R154-D182 PolarHBondContact NH1-OD1 3.36Å; R154-D182 IonicContact NH1-OD2 2.84Å; R154-D182 PolarHBondContact NH1-OD2 3.49Å; R154-D182 IonicContact NH2-OD1 3.25Å; R154-D182 PolarHBondContact NH2-OD1 2.91Å; R154-D182 IonicContact NH2-OD2 3.71Å; Y180-D182 PolarHBondContact O-N 3.17Å; Y180-D182 VanDerWaalsContact O-N 3.17Å
183	V	90.5	Very high	79.6	Confident	12 Å²	12	68.7 Å²	68.7	7%	0.073	37%	0.369	C	S	.	.			trans	-107.8	109	-179.6	-176.5	0	0	0	0	109.7	I48 L52 Y180 P185	I48-V183 HydrophobicContact CG2-CG1 4.21Å; L52-V183 HydrophobicContact CD2-CG1 4.34Å; L52-V183 HydrophobicContact CD2-CG2 3.86Å; L52-V183 HydrophobicContact CG-CG1 4.22Å; L52-V183 HydrophobicContact CG-CG2 4.43Å; Y180-V183 HydrophobicContact CD1-CG2 4.11Å; Y180-V183 PolarHBondContact O-N 2.86Å; V183-P185 WeakPolarHBondContact O-CD 3.43Å
184	T	86.7	Confident	77.5	Confident	100 Å²	100	75.1 Å²	75.1	61%	0.613	39%	0.388	S	S	*	.			trans	-69.8	115	169.4	-50.3	0	0	0	0	109.4	S51	S51-T184 VanDerWaalsContact CB-O 3.22Å; S51-T184 WeakPolarHBondContact CB-O 3.44Å; S51-T184 PolarHBondContact OG-O 2.89Å
185	P	82.1	Confident	75.3	Confident	24 Å²	24	77.8 Å²	77.8	16%	0.156	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-69.3	143.5	-178.3	-18	32.5	0	0	0	111.8	N47 I48 V183 R187	N47-P185 HydrophobicContact CB-CB 3.78Å; I48-P185 HydrophobicContact CG1-CB 4.44Å; I48-P185 HydrophobicContact CG1-CG 4.24Å; V183-P185 WeakPolarHBondContact O-CD 3.43Å; P185-R187 PolarHBondContact O-N 3.44Å
186	V	81.8	Confident	73.3	Confident	41 Å²	41	77.7 Å²	77.7	25%	0.248	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-69.9	131.8	175.9	177.2	0	0	0	0	110.6	N47 H50	N47-V186 VanDerWaalsContact CB-O 3.29Å; N47-V186 WeakPolarHBondContact CB-O 3.47Å; N47-V186 PolarHBondContact ND2-O 3.23Å; N47-V186 PolarHBondContact O-N 2.9Å; H50-V186 HydrophobicContact CB-CB 4.15Å; H50-V186 HydrophobicContact CB-CG2 4.17Å
187	R	78.7	Confident	71.4	Confident	38 Å²	38	78.1 Å²	78.1	14%	0.143	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-85	129.7	173.2	-63.7	-178.3	66.2	-165.6	-5.8	109.7	P185 L200 S201 E246	P185-R187 PolarHBondContact O-N 3.44Å; R187-L200 HydrophobicContact CB-CD2 3.95Å; R187-S201 PolarHBondContact NH2-O 3.48Å; R187-E246 WeakPolarHBondContact CD-OE2 3.48Å; R187-E246 IonicContact CZ-OE2 2.61Å; R187-E246 IonicContact NH1-OE2 3Å; R187-E246 PolarHBondContact NH1-OE2 2.99Å
188	R	65	Low	69.8	Low	99 Å²	99	73.6 Å²	73.6	37%	0.374	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-76.6	127.4	170.6	-73.8	-163.9	-172.1	91.1	0.9	109
189	H	58.3	Low	68.5	Low	102 Å²	102	74.9 Å²	74.9	47%	0.472	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	143.1	161.1	-57	79.2	0	0	0	108.5	P198 V199 L200	H189-P198 HydrophobicContact CB-CB 3.42Å; H189-P198 VanDerWaalsContact CB-CB 3.42Å; H189-P198 PolarHBondContact CD2-O 3.44Å; H189-V199 WeakPolarHBondContact CA-O 3.38Å; H189-L200 VanDerWaalsContact NE2-CD2 3.33Å; H189-L200 WeakPolarHBondContact NE2-CD2 3.35Å
190	F	55	Low	67.8	Low	128 Å²	128	76.9 Å²	76.9	56%	0.561	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.1	164.2	-64.1	-83.1	0	0	0	107.4	V199	F190-V199 PolarHBondContact N-O 3.46Å; F190-V199 PolarHBondContact O-N 2.98Å
191	T	45.1	Very low	67.4	Low	93 Å²	93	78 Å²	78	57%	0.571	43%	0.426	S	S	*	.			trans	-77.4	122.4	165.1	50	0	0	0	0	107.1	D193	T191-D193 VanDerWaalsContact C-N 3.32Å
192	T	48.6	Very low	67.5	Low	51 Å²	51	76.9 Å²	76.9	31%	0.313	42%	0.417	S	S	.	.	S	Bend	trans	-73.4	-33.1	172.5	45.8	0	0	0	0	110.9	S196	T192-S196 PolarHBondContact OG1-OG 3.21Å; T192-S196 VanDerWaalsContact OG1-OG 3.13Å
193	D	48	Very low	67.7	Low	93 Å²	93	73.3 Å²	73.3	50%	0.497	40%	0.399	S	S	.	.	S	Bend	trans	-146.3	154.7	174.9	-67.6	-52.5	0	0	0	109.8	T191 S195 S196	T191-D193 VanDerWaalsContact C-N 3.32Å; D193-S195 PolarHBondContact O-N 3.36Å; D193-S195 VanDerWaalsContact O-N 3.12Å; D193-S196 PolarHBondContact N-OG 2.92Å; D193-S196 PolarHBondContact O-N 3.01Å; D193-S196 PolarHBondContact O-OG 3.36Å
194	E	49.7	Very low	67.8	Low	206 Å²	206	73.4 Å²	73.4	96%	0.963	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.9	178.5	-69.8	-164	166.8	0	0	113.5
195	S	49.4	Very low	68.1	Low	119 Å²	119	71.8 Å²	71.8	83%	0.832	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	1	178.8	55.3	0	0	0	0	114.4	D193	D193-S195 PolarHBondContact O-N 3.36Å; D193-S195 VanDerWaalsContact O-N 3.12Å
196	S	52	Low	68.8	Low	34 Å²	34	70.7 Å²	70.7	24%	0.238	38%	0.378	C	S	.	.	S	Bend	trans	-103.6	143.4	-176.8	59.3	0	0	0	0	112.3	T192 D193	T192-S196 PolarHBondContact OG1-OG 3.21Å; T192-S196 VanDerWaalsContact OG1-OG 3.13Å; D193-S196 PolarHBondContact N-OG 2.92Å; D193-S196 PolarHBondContact O-N 3.01Å; D193-S196 PolarHBondContact O-OG 3.36Å
197	D	51	Low	69.5	Low	143 Å²	143	69.1 Å²	69.1	77%	0.765	37%	0.369	S	S	*	.			trans	-56.2	139.6	171	-74.6	-37	0	0	0	110.1	V199	D197-V199 WeakPolarHBondContact O-CG2 3.44Å; D197-V199 PolarHBondContact O-N 3.12Å
198	P	58	Low	70.4	Confident	73 Å²	73	67.3 Å²	67.3	47%	0.474	36%	0.362	S	S	.	.			trans	-54.8	115.8	178.4	16.6	-27.3	0	0	0	110.8	H189	H189-P198 HydrophobicContact CB-CB 3.42Å; H189-P198 VanDerWaalsContact CB-CB 3.42Å; H189-P198 PolarHBondContact CD2-O 3.44Å
199	V	67.1	Low	71.9	Confident	58 Å²	58	62.7 Å²	62.7	35%	0.352	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.3	179.8	-175.4	0	0	0	0	109.2	H189 F190 D197	H189-V199 WeakPolarHBondContact CA-O 3.38Å; F190-V199 PolarHBondContact N-O 3.46Å; F190-V199 PolarHBondContact O-N 2.98Å; D197-V199 WeakPolarHBondContact O-CG2 3.44Å; D197-V199 PolarHBondContact O-N 3.12Å
200	L	78.7	Confident	73.7	Confident	62 Å²	62	58 Å²	58	33%	0.325	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	136.6	173.5	-77	170.4	0	0	0	110.5	R187 H189	R187-L200 HydrophobicContact CB-CD2 3.95Å; H189-L200 VanDerWaalsContact NE2-CD2 3.33Å; H189-L200 WeakPolarHBondContact NE2-CD2 3.35Å
201	S	88.1	Confident	75.6	Confident	25 Å²	25	51.9 Å²	51.9	18%	0.175	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-57.6	130.1	173.8	176.1	0	0	0	0	110.5	R187 T203	R187-S201 PolarHBondContact NH2-O 3.48Å; S201-T203 WeakPolarHBondContact CB-O 3.1Å; S201-T203 PolarHBondContact O-N 3.2Å; S201-T203 PolarHBondContact OG-N 3.4Å; S201-T203 PolarHBondContact OG-O 2.97Å; S201-T203 PolarHBondContact OG-OG1 3.24Å
202	P	93.3	Very high	78	Confident	6 Å²	6	47.9 Å²	47.9	4%	0.039	27%	0.272	C	S	.	.	S	Bend	trans	-71.3	-7.7	175.8	31.1	-35.5	0	0	0	112.5	K249 E250 V469 P514 G515	P202-K249 PolarHBondContact O-N 2.72Å; P202-E250 PolarHBondContact O-N 3.26Å; P202-E250 VanDerWaalsContact O-N 3.11Å; P202-V469 WeakPolarHBondContact CG-O 3.39Å; P202-P514 HydrophobicContact CG-CB 4.28Å; P202-G515 VanDerWaalsContact CB-CA 3.5Å
203	T	94.6	Very high	80.1	Confident	32 Å²	32	45.8 Å²	45.8	20%	0.196	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.5	177.2	72.5	0	0	0	0	111.3	S201 E250 L468 E470	S201-T203 WeakPolarHBondContact CB-O 3.1Å; S201-T203 PolarHBondContact O-N 3.2Å; S201-T203 PolarHBondContact OG-N 3.4Å; S201-T203 PolarHBondContact OG-O 2.97Å; S201-T203 PolarHBondContact OG-OG1 3.24Å; T203-E250 CarbonylContact C-O 3.56Å; T203-E250 VanDerWaalsContact CA-O 3.25Å; T203-E250 WeakPolarHBondContact CA-O 3.27Å; T203-E250 HydrophobicContact CG2-CB 3.94Å; T203-L468 HydrophobicContact CG2-CD2 4.01Å; T203-E470 HydrophobicContact CG2-CG 4.08Å
204	A	93.3	Very high	82.2	Confident	14 Å²	14	42 Å²	42	12%	0.116	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.9	177.7	0	0	0	0	0	112.3	L243 V248 E250 I251 T252	A204-L243 HydrophobicContact CB-CD1 4.06Å; A204-L243 HydrophobicContact CB-CD2 4.07Å; A204-V248 HydrophobicContact CB-CG1 4Å; A204-V248 HydrophobicContact CB-CG2 4Å; A204-E250 PolarHBondContact N-O 2.7Å; A204-I251 HydrophobicContact CB-CG2 4.5Å; A204-I251 WeakPolarHBondContact O-CA 3.32Å; A204-T252 PolarHBondContact O-N 3.09Å
205	F	93.4	Very high	84.3	Confident	67 Å²	67	35.9 Å²	35.9	29%	0.294	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130	169.9	-70.8	-49.8	0	0	0	109.5	Q40 R43 T252 L254	Q40-F205 HydrophobicContact CB-CD1 4.35Å; Q40-F205 HydrophobicContact CB-CE1 3.96Å; Q40-F205 HydrophobicContact CB-CE2 4.19Å; Q40-F205 HydrophobicContact CB-CZ 3.87Å; Q40-F205 HydrophobicContact CG-CE1 3.77Å; Q40-F205 HydrophobicContact CG-CE2 4.3Å; Q40-F205 HydrophobicContact CG-CZ 3.58Å; R43-F205 HydrophobicContact CB-CE2 4.49Å; F205-T252 HydrophobicContact CD1-CG2 4.21Å; F205-T252 HydrophobicContact CE1-CG2 4.26Å; F205-L254 HydrophobicContact CB-CD1 3.53Å; F205-L254 HydrophobicContact CB-CG 4.05Å; F205-L254 HydrophobicContact CD1-CD1 3.77Å; F205-L254 HydrophobicContact CD1-CD2 3.83Å; F205-L254 HydrophobicContact CD1-CG 3.92Å; F205-L254 HydrophobicContact CD2-CD1 4.42Å; F205-L254 HydrophobicContact CE1-CD2 4.33Å; F205-L254 HydrophobicContact CG-CD1 3.66Å; F205-L254 HydrophobicContact CG-CG 4.23Å
206	L	95.7	Very high	86.5	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	102.3	178.1	-179.6	56	0	0	0	108.9	V208 I236 E239 A240 I251 T252 L253 L254	L206-V208 HydrophobicContact CG-CG1 4.33Å; L206-V208 PolarHBondContact O-N 2.87Å; L206-I236 HydrophobicContact CD1-CG2 4.48Å; L206-I236 HydrophobicContact CD2-CG2 3.65Å; L206-I236 HydrophobicContact CG-CG2 4.1Å; L206-E239 HydrophobicContact CD1-CB 3.99Å; L206-E239 HydrophobicContact CD1-CG 3.72Å; L206-E239 WeakPolarHBondContact CD1-OE1 3.35Å; L206-E239 WeakPolarHBondContact CD1-OE2 3.5Å; L206-A240 HydrophobicContact CD2-CB 3.76Å; L206-I251 HydrophobicContact CD2-CD1 4.22Å; L206-T252 PolarHBondContact N-O 3.39Å; L206-L253 HydrophobicContact CB-CD2 4.23Å; L206-L253 HydrophobicContact CD2-CD2 3.89Å; L206-L253 HydrophobicContact CG-CD2 4.26Å; L206-L253 CarbonylContact O-C 3.55Å; L206-L253 WeakPolarHBondContact O-CA 3.42Å; L206-L254 PolarHBondContact O-N 2.87Å
207	S	95.9	Very high	88.7	Confident	8 Å²	8	29.3 Å²	29.3	6%	0.056	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	118.6	178.2	-67.8	0	0	0	0	109.9	S44 R231 L254	S44-S207 PolarHBondContact OG-OG 2.75Å; S207-R231 WeakPolarHBondContact O-CD 3Å; S207-R231 PolarHBondContact O-NH1 3.46Å; S207-L254 CarbonylContact C-O 3.53Å; S207-L254 WeakPolarHBondContact CA-O 3.43Å
208	V	97.4	Very high	90.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.			trans	-105.2	-20.4	-176.8	-59.5	0	0	0	0	112.8	L206 R231 I236 L253 L254 V258 Y261 L300	L206-V208 HydrophobicContact CG-CG1 4.33Å; L206-V208 PolarHBondContact O-N 2.87Å; V208-R231 PolarHBondContact O-N 2.99Å; V208-I236 HydrophobicContact CB-CD1 3.76Å; V208-I236 HydrophobicContact CB-CG1 4.49Å; V208-I236 HydrophobicContact CG1-CD1 3.88Å; V208-I236 HydrophobicContact CG1-CG1 4.28Å; V208-I236 HydrophobicContact CG1-CG2 3.9Å; V208-L253 HydrophobicContact CG1-CB 4.26Å; V208-L253 HydrophobicContact CG1-CD2 3.93Å; V208-L254 WeakPolarHBondContact CG2-O 3.33Å; V208-L254 PolarHBondContact N-O 2.81Å; V208-V258 HydrophobicContact CG2-CG2 3.78Å; V208-Y261 HydrophobicContact CB-CD2 4.24Å; V208-Y261 HydrophobicContact CB-CE2 4.39Å; V208-Y261 HydrophobicContact CG2-CD2 4.32Å; V208-L300 HydrophobicContact CB-CD2 3.99Å; V208-L300 HydrophobicContact CG1-CD2 4.07Å; V208-L300 HydrophobicContact CG2-CD2 4.04Å
209	M	96.5	Very high	92.6	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	163.5	179.6	68.7	132.6	-54	0	0	112	G211 E228 R229 N257	M209-G211 WeakPolarHBondContact CE-O 3.47Å; M209-E228 HydrophobicContact CE-CB 4.27Å; M209-E228 HydrophobicContact CE-CG 4.09Å; M209-R229 CarbonylContact C-O 3.55Å; M209-R229 VanDerWaalsContact CA-O 3.26Å; M209-R229 WeakPolarHBondContact CA-O 3.4Å; M209-R229 WeakPolarHBondContact CB-O 3.15Å; M209-N257 VanDerWaalsContact SD-C 3.52Å; M209-N257 HydrophobicContact SD-CB 4.4Å
210	R	96	Very high	93.9	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.011	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	151.6	176.3	-67.3	-175.5	162.7	-117.1	-7.5	112.1	D45 P150 D151 Y180 E228 R229 Q256	D45-R210 IonicContact OD1-CZ 3.82Å; D45-R210 IonicContact OD1-NH1 2.7Å; D45-R210 IonicContact OD1-NH2 3.16Å; D45-R210 PolarHBondContact OD1-NH2 2.96Å; P150-R210 PolarHBondContact O-NH1 2.77Å; D151-R210 IonicContact OD1-NH1 2.72Å; Y180-R210 VanDerWaalsContact CD2-CZ 3.47Å; Y180-R210 VanDerWaalsContact CE2-CZ 3.46Å; R210-E228 CarbonylContact O-C 3.59Å; R210-E228 VanDerWaalsContact O-CA 3.3Å; R210-E228 WeakPolarHBondContact O-CA 3.2Å; R210-R229 HydrophobicContact CB-CG 3.98Å; R210-R229 PolarHBondContact N-O 3.07Å; R210-R229 PolarHBondContact O-N 2.8Å; R210-Q256 VanDerWaalsContact CA-OE1 3.25Å
211	G	95.7	Very high	94.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.			trans	87.6	175.3	176.5	0	0	0	0	0	114	M209 G226 Q256	M209-G211 WeakPolarHBondContact CE-O 3.47Å; G211-G226 CarbonylContact C-O 3.45Å; G211-G226 WeakPolarHBondContact CA-O 3.37Å; G211-Q256 WeakPolarHBondContact O-CB 3.37Å
212	C	94.8	Very high	94.9	Very high	9 Å²	9	16.3 Å²	16.3	6%	0.061	9%	0.089	C	C	.	.			trans	-153.3	130.8	-178.1	-179.7	0	0	0	0	110.4	N214 V221 P222 G226 Q256	C212-N214 PolarHBondContact SG-ND2 2.67Å; C212-V221 HydrophobicContact CB-CG1 3.8Å; C212-P222 HydrophobicContact CB-CG 4.33Å; C212-P222 WeakPolarHBondContact O-CB 3.35Å; C212-P222 WeakPolarHBondContact O-CG 3.42Å; C212-G226 PolarHBondContact N-O 3.06Å; C212-Q256 HydrophobicContact CB-CB 4.31Å
213	D	93.8	Very high	94.9	Very high	7 Å²	7	20.3 Å²	20.3	4%	0.037	11%	0.106	C	C	.	.			trans	-104.9	-1.7	-177.9	-81.1	3.7	0	0	0	112.5	M215 R227 E228 Y288	D213-M215 VanDerWaalsContact C-N 3.29Å; D213-M215 PolarHBondContact O-N 2.86Å; D213-R227 VanDerWaalsContact OD1-CA 3.24Å; D213-R227 WeakPolarHBondContact OD1-CA 3.37Å; D213-R227 WeakPolarHBondContact OD1-CB 3.29Å; D213-R227 IonicContact OD1-NE 3.81Å; D213-R227 PolarHBondContact OD1-NE 3.37Å; D213-R227 IonicContact OD2-CZ 3.72Å; D213-R227 IonicContact OD2-NE 2.81Å; D213-R227 PolarHBondContact OD2-NE 2.84Å; D213-R227 IonicContact OD2-NH2 3.81Å; D213-R227 PolarHBondContact OD2-NH2 3.14Å; D213-E228 HydrophobicContact CB-CG 4.01Å; D213-E228 PolarHBondContact N-OE1 3.28Å; D213-E228 PolarHBondContact OD1-N 2.9Å; D213-E228 VanDerWaalsContact OD1-N 3.09Å; D213-Y288 HydrophobicContact CB-CD1 4.04Å; D213-Y288 HydrophobicContact CB-CE1 4.47Å; D213-Y288 HydrophobicContact CB-CG 4.18Å
214	N	92.8	Very high	94.9	Very high	14 Å²	14	18.9 Å²	18.9	8%	0.075	10%	0.097	C	C	.	.			trans	-66.5	-24.8	-175.2	-66.2	-50.7	0	0	0	114.3	C212 C216 N257 H319 K321	C212-N214 PolarHBondContact SG-ND2 2.67Å; N214-C216 VanDerWaalsContact C-N 3.25Å; N214-C216 PolarHBondContact O-N 2.89Å; N214-C216 VanDerWaalsContact O-N 3.12Å; N214-N257 PolarHBondContact ND2-ND2 3.34Å; N214-H319 PolarHBondContact ND2-CD2 2.79Å; N214-H319 VanDerWaalsContact ND2-CD2 3.31Å; N214-K321 WeakPolarHBondContact OD1-CE 3.27Å; N214-K321 PolarHBondContact OD1-NZ 3.44Å
215	M	92.7	Very high	95	Very high	77 Å²	77	18.4 Å²	18.4	38%	0.379	9%	0.092	S	C	.	.			trans	49.7	38.3	176.9	-60.1	-64.9	-179	0	0	115	D213 P222	D213-M215 VanDerWaalsContact C-N 3.29Å; D213-M215 PolarHBondContact O-N 2.86Å; M215-P222 HydrophobicContact CE-CB 3.77Å; M215-P222 HydrophobicContact SD-CB 3.51Å; M215-P222 VanDerWaalsContact SD-CB 3.51Å; M215-P222 HydrophobicContact SD-CG 3.77Å
216	C	95.9	Very high	95.1	Very high	13 Å²	13	15.6 Å²	15.6	9%	0.088	8%	0.082	C	C	.	.			trans	-54.4	144.3	173.5	-50.3	0	0	0	0	110.5	N214 Y218 C219 M356	N214-C216 VanDerWaalsContact C-N 3.25Å; N214-C216 PolarHBondContact O-N 2.89Å; N214-C216 VanDerWaalsContact O-N 3.12Å; C216-Y218 VanDerWaalsContact C-N 3.25Å; C216-Y218 HydrophobicContact CB-CD1 4.31Å; C216-Y218 HydrophobicContact CB-CE1 3.93Å; C216-Y218 PolarHBondContact O-N 3.43Å; C216-Y218 VanDerWaalsContact O-N 3.13Å; C216-C219 HydrophobicContact CB-CB 3.84Å; C216-C219 PolarHBondContact O-N 2.9Å; C216-C219 VanDerWaalsContact O-N 3.11Å; C216-M356 WeakPolarHBondContact CA-O 3.26Å
217	T	97.1	Very high	95	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-32.4	-168.3	53	0	0	0	0	114.2	N355 M356 R357 F389 T423 F424 A425	T217-N355 WeakPolarHBondContact CG2-O 3.44Å; T217-N355 PolarHBondContact OG1-O 3.34Å; T217-M356 PolarHBondContact N-O 3.01Å; T217-M356 VanDerWaalsContact OG1-CA 3.27Å; T217-M356 WeakPolarHBondContact OG1-CA 3.34Å; T217-M356 PolarHBondContact OG1-O 2.81Å; T217-R357 HydrophobicContact CG2-CB 4.01Å; T217-R357 VanDerWaalsContact CG2-CD 3.42Å; T217-R357 HydrophobicContact CG2-CG 3.51Å; T217-F389 WeakPolarHBondContact OG1-CZ 3.17Å; T217-T423 WeakPolarHBondContact O-CB 3.49Å; T217-F424 HydrophobicContact CG2-CB 4.29Å; T217-F424 HydrophobicContact CG2-CD1 3.55Å; T217-F424 HydrophobicContact CG2-CE1 4.3Å; T217-F424 HydrophobicContact CG2-CG 4.17Å; T217-F424 PolarHBondContact O-N 3.45Å; T217-A425 WeakPolarHBondContact O-CB 3.39Å; T217-A425 PolarHBondContact O-N 2.84Å
218	Y	96	Very high	95	Very high	33 Å²	33	23.3 Å²	23.3	13%	0.129	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-12.9	-179	60.8	-91.2	0	0	0	114.5	C216 I220 Q346 M356 I386 F389	C216-Y218 VanDerWaalsContact C-N 3.25Å; C216-Y218 HydrophobicContact CB-CD1 4.31Å; C216-Y218 HydrophobicContact CB-CE1 3.93Å; C216-Y218 PolarHBondContact O-N 3.43Å; C216-Y218 VanDerWaalsContact O-N 3.13Å; Y218-I220 PolarHBondContact O-N 2.62Å; Y218-Q346 VanDerWaalsContact OH-CD 3.3Å; Y218-Q346 VanDerWaalsContact OH-CG 3.3Å; Y218-Q346 WeakPolarHBondContact OH-CG 3.4Å; Y218-M356 HydrophobicContact CD1-CB 4.18Å; Y218-M356 HydrophobicContact CD1-CG 3.9Å; Y218-M356 HydrophobicContact CD1-SD 4.4Å; Y218-M356 HydrophobicContact CE1-CB 3.9Å; Y218-M356 HydrophobicContact CE1-CG 3.8Å; Y218-M356 HydrophobicContact CE1-SD 3.86Å; Y218-I386 HydrophobicContact CD2-CD1 3.85Å; Y218-I386 HydrophobicContact CE1-CD1 4.19Å; Y218-I386 HydrophobicContact CE2-CD1 3.5Å; Y218-I386 HydrophobicContact CG-CD1 4.36Å; Y218-F389 HydrophobicContact CD1-CE2 4.27Å; Y218-F389 HydrophobicContact CG-CE2 4.45Å
219	C	95.3	Very high	94.8	Very high	27 Å²	27	24 Å²	24	18%	0.182	11%	0.113	C	C	.	.			trans	-88.6	119.1	-164.8	-172	0	0	0	0	111.1	C216 V221	C216-C219 HydrophobicContact CB-CB 3.84Å; C216-C219 PolarHBondContact O-N 2.9Å; C216-C219 VanDerWaalsContact O-N 3.11Å; C219-V221 VanDerWaalsContact C-N 3.28Å; C219-V221 PolarHBondContact O-N 3.18Å; C219-V221 VanDerWaalsContact SG-CB 3.58Å; C219-V221 VanDerWaalsContact SG-CG2 3.55Å
220	I	94.1	Very high	94.8	Very high	4 Å²	4	25 Å²	25	2%	0.021	12%	0.12	C	C	.	.			trans	-76.8	-16.3	178.9	-164.7	58.6	0	0	0	113.4	I77 Y218 F223 V224 R420 E421 K422 T423	I77-I220 HydrophobicContact CG1-CG2 4.36Å; Y218-I220 PolarHBondContact O-N 2.62Å; I220-F223 HydrophobicContact CD1-CB 4.13Å; I220-F223 HydrophobicContact CD1-CD2 4.22Å; I220-F223 WeakPolarHBondContact O-CB 2.87Å; I220-F223 PolarHBondContact O-N 3.32Å; I220-V224 HydrophobicContact CG1-CG1 3.94Å; I220-V224 HydrophobicContact CG2-CG2 4.37Å; I220-V224 PolarHBondContact O-N 3.48Å; I220-R420 HydrophobicContact CB-CB 4.47Å; I220-E421 VanDerWaalsContact CD1-O 3.23Å; I220-E421 WeakPolarHBondContact CD1-O 3.45Å; I220-K422 HydrophobicContact CD1-CB 4.34Å; I220-T423 HydrophobicContact CB-CG2 4.14Å; I220-T423 HydrophobicContact CD1-CG2 3.86Å
221	V	94.7	Very high	94.8	Very high	17 Å²	17	25.3 Å²	25.3	10%	0.103	12%	0.121	C	C	.	.	H	α-helix	trans	-52.6	-47.8	-168	173.4	0	0	0	0	113.6	I77 C212 C219 F223 V224 R225 Q256	I77-V221 HydrophobicContact CD1-CG2 4.07Å; I77-V221 HydrophobicContact CG1-CG2 4.27Å; C212-V221 HydrophobicContact CB-CG1 3.8Å; C219-V221 VanDerWaalsContact C-N 3.28Å; C219-V221 PolarHBondContact O-N 3.18Å; C219-V221 VanDerWaalsContact SG-CB 3.58Å; C219-V221 VanDerWaalsContact SG-CG2 3.55Å; V221-F223 PolarHBondContact O-N 2.8Å; V221-V224 PolarHBondContact O-N 3.29Å; V221-R225 HydrophobicContact CG1-CB 4.23Å; V221-R225 HydrophobicContact CG1-CG 4.26Å; V221-R225 WeakPolarHBondContact O-CB 3.41Å; V221-R225 PolarHBondContact O-N 2.76Å; V221-Q256 HydrophobicContact CG1-CB 3.93Å; V221-Q256 HydrophobicContact CG1-CG 3.63Å
222	P	93.7	Very high	94.8	Very high	8 Å²	8	27.4 Å²	27.4	5%	0.052	14%	0.135	C	C	.	.	H	α-helix	trans	-57.4	-33.7	179	-24.7	35.1	0	0	0	113.2	C212 M215 G226	C212-P222 HydrophobicContact CB-CG 4.33Å; C212-P222 WeakPolarHBondContact O-CB 3.35Å; C212-P222 WeakPolarHBondContact O-CG 3.42Å; M215-P222 HydrophobicContact CE-CB 3.77Å; M215-P222 HydrophobicContact SD-CB 3.51Å; M215-P222 VanDerWaalsContact SD-CB 3.51Å; M215-P222 HydrophobicContact SD-CG 3.77Å; P222-G226 VanDerWaalsContact O-CA 3.24Å; P222-G226 WeakPolarHBondContact O-CA 3.44Å; P222-G226 PolarHBondContact O-N 2.77Å
223	F	94	Very high	94.8	Very high	90 Å²	90	27.6 Å²	27.6	40%	0.395	14%	0.135	S	C	.	.	H	α-helix	trans	-81.9	-14.8	-178.5	-55.2	-78.5	0	0	0	113.9	I220 V221	I220-F223 HydrophobicContact CD1-CB 4.13Å; I220-F223 HydrophobicContact CD1-CD2 4.22Å; I220-F223 WeakPolarHBondContact O-CB 2.87Å; I220-F223 PolarHBondContact O-N 3.32Å; V221-F223 PolarHBondContact O-N 2.8Å
224	V	94.5	Very high	94.9	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-113.2	-16.7	179.4	-63.2	0	0	0	0	114.4	C107 K110 R111 P150 L174 I220 V221	C107-V224 HydrophobicContact CB-CB 4.16Å; C107-V224 HydrophobicContact CB-CG2 3.89Å; K110-V224 HydrophobicContact CB-CB 4.27Å; K110-V224 HydrophobicContact CB-CG1 4.23Å; K110-V224 HydrophobicContact CG-CB 4.1Å; K110-V224 HydrophobicContact CG-CG1 4.01Å; R111-V224 HydrophobicContact CB-CG1 4.07Å; P150-V224 WeakPolarHBondContact CD-O 3.5Å; P150-V224 WeakPolarHBondContact CG-O 3.31Å; L174-V224 WeakPolarHBondContact CD2-O 3.5Å; I220-V224 HydrophobicContact CG1-CG1 3.94Å; I220-V224 HydrophobicContact CG2-CG2 4.37Å; I220-V224 PolarHBondContact O-N 3.48Å; V221-V224 PolarHBondContact O-N 3.29Å
225	R	95.4	Very high	95	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.015	16%	0.163	C	C	.	.	H	α-helix	trans	-122.5	-6.5	179.9	-68.3	-78.6	177.6	163.8	0.7	113.6	D45 C107 V221 R229 Q256	D45-R225 VanDerWaalsContact CG-NH1 3.33Å; D45-R225 IonicContact OD1-NH1 3.72Å; D45-R225 PolarHBondContact OD1-NH1 2.98Å; D45-R225 VanDerWaalsContact OD1-NH1 3.11Å; D45-R225 IonicContact OD2-CZ 2.74Å; D45-R225 IonicContact OD2-NH1 3.61Å; D45-R225 PolarHBondContact OD2-NH1 3.02Å; D45-R225 IonicContact OD2-NH2 3.18Å; D45-R225 PolarHBondContact OD2-NH2 2.85Å; C107-R225 PolarHBondContact SG-NE 2.74Å; C107-R225 PolarHBondContact SG-NH2 2.88Å; V221-R225 HydrophobicContact CG1-CB 4.23Å; V221-R225 HydrophobicContact CG1-CG 4.26Å; V221-R225 WeakPolarHBondContact O-CB 3.41Å; V221-R225 PolarHBondContact O-N 2.76Å; R225-R229 PolarHBondContact O-NH1 3.13Å; R225-R229 PolarHBondContact O-NH2 2.63Å; R225-Q256 HydrophobicContact CG-CG 4.35Å
226	G	94.9	Very high	95.3	Very high	8 Å²	8	28.6 Å²	28.6	8%	0.082	15%	0.145	C	C	.	.			trans	73.8	-168.7	-179.2	0	0	0	0	0	113.6	G211 C212 P222	G211-G226 CarbonylContact C-O 3.45Å; G211-G226 WeakPolarHBondContact CA-O 3.37Å; C212-G226 PolarHBondContact N-O 3.06Å; P222-G226 VanDerWaalsContact O-CA 3.24Å; P222-G226 WeakPolarHBondContact O-CA 3.44Å; P222-G226 PolarHBondContact O-N 2.77Å
227	R	94.4	Very high	95.4	Very high	147 Å²	147	29.6 Å²	29.6	56%	0.555	15%	0.149	S	C	*	.	S	Bend	trans	-72	158.7	-179.6	-64.6	-162	65.4	-152.3	-6.3	112.4	D213 R229	D213-R227 VanDerWaalsContact OD1-CA 3.24Å; D213-R227 WeakPolarHBondContact OD1-CA 3.37Å; D213-R227 WeakPolarHBondContact OD1-CB 3.29Å; D213-R227 IonicContact OD1-NE 3.81Å; D213-R227 PolarHBondContact OD1-NE 3.37Å; D213-R227 IonicContact OD2-CZ 3.72Å; D213-R227 IonicContact OD2-NE 2.81Å; D213-R227 PolarHBondContact OD2-NE 2.84Å; D213-R227 IonicContact OD2-NH2 3.81Å; D213-R227 PolarHBondContact OD2-NH2 3.14Å; R227-R229 PolarHBondContact O-N 2.88Å; R227-R229 PolarHBondContact O-NH1 2.92Å
228	E	94.7	Very high	95.3	Very high	22 Å²	22	36.3 Å²	36.3	10%	0.103	18%	0.18	C	C	.	.			trans	-61.2	129	178.4	-65.9	-179.9	177.4	0	0	112.2	M209 R210 D213 N257 S260 K291	M209-E228 HydrophobicContact CE-CB 4.27Å; M209-E228 HydrophobicContact CE-CG 4.09Å; R210-E228 CarbonylContact O-C 3.59Å; R210-E228 VanDerWaalsContact O-CA 3.3Å; R210-E228 WeakPolarHBondContact O-CA 3.2Å; D213-E228 HydrophobicContact CB-CG 4.01Å; D213-E228 PolarHBondContact N-OE1 3.28Å; D213-E228 PolarHBondContact OD1-N 2.9Å; D213-E228 VanDerWaalsContact OD1-N 3.09Å; E228-N257 PolarHBondContact OE1-ND2 3.36Å; E228-S260 WeakPolarHBondContact OE2-CB 3.4Å; E228-K291 VanDerWaalsContact OE2-CE 3.28Å; E228-K291 WeakPolarHBondContact OE2-CE 3.33Å; E228-K291 IonicContact OE2-NZ 2.78Å; E228-K291 PolarHBondContact OE2-NZ 3.34Å
229	R	94.6	Very high	95.3	Very high	15 Å²	15	35.9 Å²	35.9	6%	0.057	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	129.6	174.3	56.1	-164.2	173.5	-74.6	0.8	109	D151 E178 T179 M209 R210 R225 R227	D151-R229 IonicContact OD1-CZ 3.31Å; D151-R229 IonicContact OD1-NH2 2.71Å; D151-R229 PolarHBondContact OD1-NH2 2.99Å; D151-R229 IonicContact OD2-CZ 2.7Å; D151-R229 IonicContact OD2-NH2 3.5Å; D151-R229 PolarHBondContact OD2-NH2 2.88Å; E178-R229 VanDerWaalsContact O-CD 3.29Å; E178-R229 WeakPolarHBondContact O-CD 3.3Å; E178-R229 PolarHBondContact O-NE 2.87Å; T179-R229 HydrophobicContact CG2-CB 4.24Å; T179-R229 HydrophobicContact CG2-CG 3.91Å; M209-R229 CarbonylContact C-O 3.55Å; M209-R229 VanDerWaalsContact CA-O 3.26Å; M209-R229 WeakPolarHBondContact CA-O 3.4Å; M209-R229 WeakPolarHBondContact CB-O 3.15Å; R210-R229 HydrophobicContact CB-CG 3.98Å; R210-R229 PolarHBondContact N-O 3.07Å; R210-R229 PolarHBondContact O-N 2.8Å; R225-R229 PolarHBondContact O-NH1 3.13Å; R225-R229 PolarHBondContact O-NH2 2.63Å; R227-R229 PolarHBondContact O-N 2.88Å; R227-R229 PolarHBondContact O-NH1 2.92Å
230	S	96	Very high	95.4	Very high	22 Å²	22	34.6 Å²	34.6	15%	0.154	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	145.5	-176.5	-44.7	0	0	0	0	109.5	C262	S230-C262 WeakPolarHBondContact CB-O 3.45Å; S230-C262 PolarHBondContact OG-N 2.97Å; S230-C262 PolarHBondContact OG-O 3.47Å
231	R	95.7	Very high	95.6	Very high	10 Å²	10	37.8 Å²	37.8	4%	0.038	19%	0.185	C	C	.	.			trans	-72.5	147.2	169	-72.1	173.1	62.8	-178.6	2.4	110.1	T179 A181 S207 V208 S235 I236 E239 Y261	T179-R231 HydrophobicContact CG2-CG 4.17Å; A181-R231 HydrophobicContact CB-CG 4.18Å; S207-R231 WeakPolarHBondContact O-CD 3Å; S207-R231 PolarHBondContact O-NH1 3.46Å; V208-R231 PolarHBondContact O-N 2.99Å; R231-S235 PolarHBondContact NH2-O 2.65Å; R231-S235 PolarHBondContact NH2-OG 3.13Å; R231-I236 HydrophobicContact CB-CD1 3.91Å; R231-I236 HydrophobicContact CB-CG1 3.81Å; R231-E239 IonicContact CZ-OE2 3.4Å; R231-E239 IonicContact NH1-OE2 3.6Å; R231-E239 PolarHBondContact NH1-OE2 3.18Å; R231-E239 IonicContact NH2-OE2 3.03Å; R231-E239 PolarHBondContact NH2-OE2 3.34Å; R231-Y261 VanDerWaalsContact O-CE2 3.26Å; R231-Y261 WeakPolarHBondContact O-CE2 3.44Å; R231-Y261 PolarHBondContact O-OH 3.23Å
232	P	95.4	Very high	95.6	Very high	44 Å²	44	39.3 Å²	39.3	29%	0.286	20%	0.197	S	C	.	.			trans	-53.5	139.5	169.5	-26.9	36.1	0	0	0	111.8	D234 S235 I236 D263	P232-D234 VanDerWaalsContact C-N 3.33Å; P232-D234 PolarHBondContact O-N 3.44Å; P232-S235 WeakPolarHBondContact O-CB 3.42Å; P232-S235 PolarHBondContact O-N 3.31Å; P232-I236 PolarHBondContact O-N 3.25Å; P232-D263 WeakPolarHBondContact CA-OD2 3.23Å
233	L	96.1	Very high	95.7	Very high	13 Å²	13	39.5 Å²	39.5	7%	0.068	20%	0.197	C	C	.	.	H	α-helix	trans	-56.9	-46.7	-178.2	177.3	62.3	0	0	0	111.4	S235 I236 L237 Y261 D263 L295 L300 Q303	L233-S235 VanDerWaalsContact C-N 3.26Å; L233-S235 PolarHBondContact O-N 3.05Å; L233-I236 WeakPolarHBondContact O-CA 3.12Å; L233-I236 WeakPolarHBondContact O-CB 3.42Å; L233-I236 PolarHBondContact O-N 2.97Å; L233-L237 HydrophobicContact CD1-CD1 4.13Å; L233-L237 HydrophobicContact CD1-CD2 4.28Å; L233-L237 HydrophobicContact CD1-CG 3.95Å; L233-L237 HydrophobicContact CD2-CD1 4.28Å; L233-L237 HydrophobicContact CG-CD1 3.83Å; L233-L237 HydrophobicContact CG-CG 4.09Å; L233-L237 WeakPolarHBondContact O-CG 3.17Å; L233-L237 PolarHBondContact O-N 2.92Å; L233-Y261 WeakPolarHBondContact CA-OH 3.21Å; L233-Y261 PolarHBondContact N-OH 3.38Å; L233-D263 PolarHBondContact N-OD2 2.87Å; L233-L295 HydrophobicContact CB-CD1 4.06Å; L233-L295 HydrophobicContact CD2-CD1 3.58Å; L233-L295 HydrophobicContact CG-CD1 4.46Å; L233-L300 HydrophobicContact CD1-CB 4.39Å; L233-L300 HydrophobicContact CD1-CD1 3.61Å; L233-Q303 HydrophobicContact CD1-CB 4.39Å; L233-Q303 HydrophobicContact CD2-CB 4.38Å; L233-Q303 HydrophobicContact CD2-CG 4.08Å
234	D	95.1	Very high	95.7	Very high	94 Å²	94	37.4 Å²	37.4	50%	0.503	19%	0.188	S	C	.	.	H	α-helix	trans	-59.3	-37.9	-179	-64.4	-16.8	0	0	0	112.2	P232 I236 L237 H238	P232-D234 VanDerWaalsContact C-N 3.33Å; P232-D234 PolarHBondContact O-N 3.44Å; D234-I236 VanDerWaalsContact C-N 3.34Å; D234-I236 PolarHBondContact O-N 3.1Å; D234-L237 PolarHBondContact O-N 3.49Å; D234-H238 WeakPolarHBondContact O-CB 3.45Å; D234-H238 PolarHBondContact O-N 3.43Å; D234-H238 PolarHBondContact O-ND1 2.75Å
235	S	95.6	Very high	95.8	Very high	26 Å²	26	42.9 Å²	42.9	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-41.4	174.5	171.8	0	0	0	0	111.6	A181 R231 P232 L233 E239	A181-S235 PolarHBondContact O-OG 3.35Å; A181-S235 VanDerWaalsContact O-OG 3.09Å; R231-S235 PolarHBondContact NH2-O 2.65Å; R231-S235 PolarHBondContact NH2-OG 3.13Å; P232-S235 WeakPolarHBondContact O-CB 3.42Å; P232-S235 PolarHBondContact O-N 3.31Å; L233-S235 VanDerWaalsContact C-N 3.26Å; L233-S235 PolarHBondContact O-N 3.05Å; S235-E239 PolarHBondContact O-N 3.4Å; S235-E239 VanDerWaalsContact O-N 3.17Å
236	I	97.5	Very high	95.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.4	-43.5	178.4	-60.9	164.8	0	0	0	110.5	L206 V208 R231 P232 L233 D234 E239 A240 Y261 L300 V304	L206-I236 HydrophobicContact CD1-CG2 4.48Å; L206-I236 HydrophobicContact CD2-CG2 3.65Å; L206-I236 HydrophobicContact CG-CG2 4.1Å; V208-I236 HydrophobicContact CB-CD1 3.76Å; V208-I236 HydrophobicContact CB-CG1 4.49Å; V208-I236 HydrophobicContact CG1-CD1 3.88Å; V208-I236 HydrophobicContact CG1-CG1 4.28Å; V208-I236 HydrophobicContact CG1-CG2 3.9Å; R231-I236 HydrophobicContact CB-CD1 3.91Å; R231-I236 HydrophobicContact CB-CG1 3.81Å; P232-I236 PolarHBondContact O-N 3.25Å; L233-I236 WeakPolarHBondContact O-CA 3.12Å; L233-I236 WeakPolarHBondContact O-CB 3.42Å; L233-I236 PolarHBondContact O-N 2.97Å; D234-I236 VanDerWaalsContact C-N 3.34Å; D234-I236 PolarHBondContact O-N 3.1Å; I236-E239 PolarHBondContact O-N 3.03Å; I236-A240 VanDerWaalsContact O-CB 3.3Å; I236-A240 WeakPolarHBondContact O-CB 3.25Å; I236-A240 PolarHBondContact O-N 3.26Å; I236-Y261 HydrophobicContact CD1-CE2 3.5Å; I236-L300 HydrophobicContact CB-CD1 4.35Å; I236-L300 HydrophobicContact CD1-CD1 3.8Å; I236-L300 HydrophobicContact CG2-CD1 3.89Å; I236-V304 HydrophobicContact CG2-CG2 4.37Å
237	L	97.9	Very high	95.5	Very high	34 Å²	34	48.2 Å²	48.2	18%	0.178	25%	0.251	C	S	.	.	H	α-helix	trans	-64.5	-42.8	179.5	-66.8	178.2	0	0	0	111.7	L233 D234 E239 A240 Q241 Q303 V304 I307	L233-L237 HydrophobicContact CD1-CD1 4.13Å; L233-L237 HydrophobicContact CD1-CD2 4.28Å; L233-L237 HydrophobicContact CD1-CG 3.95Å; L233-L237 HydrophobicContact CD2-CD1 4.28Å; L233-L237 HydrophobicContact CG-CD1 3.83Å; L233-L237 HydrophobicContact CG-CG 4.09Å; L233-L237 WeakPolarHBondContact O-CG 3.17Å; L233-L237 PolarHBondContact O-N 2.92Å; D234-L237 PolarHBondContact O-N 3.49Å; L237-E239 PolarHBondContact O-N 2.78Å; L237-A240 PolarHBondContact O-N 3.09Å; L237-Q241 VanDerWaalsContact O-CB 3.29Å; L237-Q241 WeakPolarHBondContact O-CB 3.21Å; L237-Q241 PolarHBondContact O-N 3.06Å; L237-Q303 HydrophobicContact CD1-CB 4.13Å; L237-Q303 HydrophobicContact CD2-CB 3.89Å; L237-V304 HydrophobicContact CD2-CG2 3.86Å; L237-I307 HydrophobicContact CD2-CD1 4.23Å
238	H	96.4	Very high	95.5	Very high	142 Å²	142	41.2 Å²	41.2	66%	0.657	22%	0.224	S	C	*	.	H	α-helix	trans	-60.6	-44.5	174.8	-70.3	164.1	0	0	0	112.2	D234 Q241 S242	D234-H238 WeakPolarHBondContact O-CB 3.45Å; D234-H238 PolarHBondContact O-N 3.43Å; D234-H238 PolarHBondContact O-ND1 2.75Å; H238-Q241 PolarHBondContact O-N 3.06Å; H238-S242 WeakPolarHBondContact O-CB 3.45Å; H238-S242 PolarHBondContact O-N 3.26Å
239	E	95.9	Very high	95.6	Very high	25 Å²	25	43.1 Å²	43.1	12%	0.117	23%	0.232	C	C	.	.	H	α-helix	trans	-66.2	-44.7	177	-172.6	178.8	159.4	0	0	111.5	L206 R231 S235 I236 L237 Q241 S242 L243	L206-E239 HydrophobicContact CD1-CB 3.99Å; L206-E239 HydrophobicContact CD1-CG 3.72Å; L206-E239 WeakPolarHBondContact CD1-OE1 3.35Å; L206-E239 WeakPolarHBondContact CD1-OE2 3.5Å; R231-E239 IonicContact CZ-OE2 3.4Å; R231-E239 IonicContact NH1-OE2 3.6Å; R231-E239 PolarHBondContact NH1-OE2 3.18Å; R231-E239 IonicContact NH2-OE2 3.03Å; R231-E239 PolarHBondContact NH2-OE2 3.34Å; S235-E239 PolarHBondContact O-N 3.4Å; S235-E239 VanDerWaalsContact O-N 3.17Å; I236-E239 PolarHBondContact O-N 3.03Å; L237-E239 PolarHBondContact O-N 2.78Å; E239-Q241 VanDerWaalsContact C-N 3.33Å; E239-Q241 PolarHBondContact O-N 3.43Å; E239-S242 PolarHBondContact O-N 3.29Å; E239-L243 HydrophobicContact CG-CD1 4.14Å; E239-L243 HydrophobicContact CG-CG 4.42Å; E239-L243 WeakPolarHBondContact O-CB 3.21Å; E239-L243 VanDerWaalsContact O-CG 3.25Å; E239-L243 WeakPolarHBondContact O-CG 3.49Å; E239-L243 PolarHBondContact O-N 3.4Å
240	A	97.1	Very high	95.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-40.8	177.7	0	0	0	0	0	112.2	L206 I236 L237 L243 F244 I251 I307	L206-A240 HydrophobicContact CD2-CB 3.76Å; I236-A240 VanDerWaalsContact O-CB 3.3Å; I236-A240 WeakPolarHBondContact O-CB 3.25Å; I236-A240 PolarHBondContact O-N 3.26Å; L237-A240 PolarHBondContact O-N 3.09Å; A240-L243 PolarHBondContact O-N 3.34Å; A240-F244 WeakPolarHBondContact O-CB 3.28Å; A240-F244 PolarHBondContact O-N 2.87Å; A240-I251 HydrophobicContact CB-CD1 4.19Å; A240-I307 HydrophobicContact CB-CD1 3.26Å
241	Q	97.6	Very high	95.8	Very high	71 Å²	71	41.6 Å²	41.6	33%	0.332	22%	0.223	S	C	.	.	H	α-helix	trans	-66.1	-43	175	-172.9	66.8	66	0	0	111.6	L237 H238 E239 F244 N245	L237-Q241 VanDerWaalsContact O-CB 3.29Å; L237-Q241 WeakPolarHBondContact O-CB 3.21Å; L237-Q241 PolarHBondContact O-N 3.06Å; H238-Q241 PolarHBondContact O-N 3.06Å; E239-Q241 VanDerWaalsContact C-N 3.33Å; E239-Q241 PolarHBondContact O-N 3.43Å; Q241-F244 PolarHBondContact O-N 2.82Å; Q241-N245 PolarHBondContact NE2-OD1 2.68Å; Q241-N245 WeakPolarHBondContact O-CB 3.29Å; Q241-N245 PolarHBondContact O-N 2.81Å; Q241-N245 PolarHBondContact O-ND2 3.34Å; Q241-N245 PolarHBondContact O-OD1 2.83Å
242	S	95.4	Very high	95.9	Very high	49 Å²	49	41.9 Å²	41.9	34%	0.343	23%	0.226	S	C	.	.	H	α-helix	trans	-59.3	-48.5	174.9	-166.5	0	0	0	0	110.9	H238 E239 F244 N245 E246	H238-S242 WeakPolarHBondContact O-CB 3.45Å; H238-S242 PolarHBondContact O-N 3.26Å; E239-S242 PolarHBondContact O-N 3.29Å; S242-F244 VanDerWaalsContact C-N 3.32Å; S242-F244 PolarHBondContact O-N 2.96Å; S242-N245 PolarHBondContact O-N 3Å; S242-E246 WeakPolarHBondContact O-CB 3.37Å; S242-E246 VanDerWaalsContact O-CG 3.26Å; S242-E246 WeakPolarHBondContact O-CG 3.33Å; S242-E246 PolarHBondContact O-N 2.64Å; S242-E246 PolarHBondContact OG-OE1 3.14Å
243	L	94.7	Very high	96.1	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.063	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-45.8	177.6	-73.1	171.9	0	0	0	111.4	A204 E239 A240 E246 G247 V248 I251	A204-L243 HydrophobicContact CB-CD1 4.06Å; A204-L243 HydrophobicContact CB-CD2 4.07Å; E239-L243 HydrophobicContact CG-CD1 4.14Å; E239-L243 HydrophobicContact CG-CG 4.42Å; E239-L243 WeakPolarHBondContact O-CB 3.21Å; E239-L243 VanDerWaalsContact O-CG 3.25Å; E239-L243 WeakPolarHBondContact O-CG 3.49Å; E239-L243 PolarHBondContact O-N 3.4Å; A240-L243 PolarHBondContact O-N 3.34Å; L243-E246 CarbonylContact O-C 3.59Å; L243-E246 PolarHBondContact O-N 3.27Å; L243-G247 PolarHBondContact O-N 2.99Å; L243-V248 HydrophobicContact CB-CB 4.08Å; L243-V248 HydrophobicContact CB-CG2 3.88Å; L243-V248 HydrophobicContact CD2-CG2 4.05Å; L243-V248 WeakPolarHBondContact O-CB 3.32Å; L243-V248 VanDerWaalsContact O-CG2 3.27Å; L243-V248 WeakPolarHBondContact O-CG2 3.39Å; L243-V248 PolarHBondContact O-N 3.38Å; L243-I251 HydrophobicContact CD1-CG2 4.15Å
244	F	96	Very high	96.2	Very high	45 Å²	45	39.3 Å²	39.3	20%	0.197	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-44.6	177.3	-179	-107.7	0	0	0	112.3	A240 Q241 S242 E246 G247 V248 I307 S308 E310 L311	A240-F244 WeakPolarHBondContact O-CB 3.28Å; A240-F244 PolarHBondContact O-N 2.87Å; Q241-F244 PolarHBondContact O-N 2.82Å; S242-F244 VanDerWaalsContact C-N 3.32Å; S242-F244 PolarHBondContact O-N 2.96Å; F244-E246 PolarHBondContact O-N 3.43Å; F244-G247 PolarHBondContact O-N 3.5Å; F244-V248 WeakPolarHBondContact CD2-O 3.33Å; F244-I307 HydrophobicContact CB-CG2 4.26Å; F244-I307 HydrophobicContact CD1-CG2 4.49Å; F244-I307 HydrophobicContact CG-CG2 4.4Å; F244-S308 WeakPolarHBondContact CZ-OG 3.44Å; F244-E310 HydrophobicContact CE2-CB 4.18Å; F244-E310 HydrophobicContact CZ-CB 4.34Å; F244-L311 HydrophobicContact CB-CD2 4.43Å; F244-L311 HydrophobicContact CD2-CB 3.87Å; F244-L311 HydrophobicContact CD2-CD1 4.15Å; F244-L311 HydrophobicContact CD2-CG 4.42Å; F244-L311 HydrophobicContact CE2-CB 4.16Å
245	N	95.3	Very high	96.2	Very high	117 Å²	117	34.9 Å²	34.9	63%	0.626	19%	0.187	S	C	*	.	H	α-helix	trans	-63.7	-30.1	177.4	-66.7	-9.1	0	0	0	112.3	Q241 S242 G247	Q241-N245 PolarHBondContact NE2-OD1 2.68Å; Q241-N245 WeakPolarHBondContact O-CB 3.29Å; Q241-N245 PolarHBondContact O-N 2.81Å; Q241-N245 PolarHBondContact O-ND2 3.34Å; Q241-N245 PolarHBondContact O-OD1 2.83Å; S242-N245 PolarHBondContact O-N 3Å; N245-G247 PolarHBondContact O-N 2.79Å
246	E	91.5	Very high	96.2	Very high	85 Å²	85	35.2 Å²	35.2	40%	0.397	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	10.3	172.2	-65.8	166.3	-150.9	0	0	113.6	R187 S242 L243 F244	R187-E246 WeakPolarHBondContact CD-OE2 3.48Å; R187-E246 IonicContact CZ-OE2 2.61Å; R187-E246 IonicContact NH1-OE2 3Å; R187-E246 PolarHBondContact NH1-OE2 2.99Å; S242-E246 WeakPolarHBondContact O-CB 3.37Å; S242-E246 VanDerWaalsContact O-CG 3.26Å; S242-E246 WeakPolarHBondContact O-CG 3.33Å; S242-E246 PolarHBondContact O-N 2.64Å; S242-E246 PolarHBondContact OG-OE1 3.14Å; L243-E246 CarbonylContact O-C 3.59Å; L243-E246 PolarHBondContact O-N 3.27Å; F244-E246 PolarHBondContact O-N 3.43Å
247	G	92.7	Very high	96	Very high	40 Å²	40	35.3 Å²	35.3	41%	0.412	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	10.6	174.9	0	0	0	0	0	115.8	L243 F244 N245 K249	L243-G247 PolarHBondContact O-N 2.99Å; F244-G247 PolarHBondContact O-N 3.5Å; N245-G247 PolarHBondContact O-N 2.79Å; G247-K249 PolarHBondContact O-N 3.19Å
248	V	94.9	Very high	95.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.			trans	-63.5	130.5	168.1	176.5	0	0	0	0	109.4	A204 L243 F244 E250 I251 L311	A204-V248 HydrophobicContact CB-CG1 4Å; A204-V248 HydrophobicContact CB-CG2 4Å; L243-V248 HydrophobicContact CB-CB 4.08Å; L243-V248 HydrophobicContact CB-CG2 3.88Å; L243-V248 HydrophobicContact CD2-CG2 4.05Å; L243-V248 WeakPolarHBondContact O-CB 3.32Å; L243-V248 VanDerWaalsContact O-CG2 3.27Å; L243-V248 WeakPolarHBondContact O-CG2 3.39Å; L243-V248 PolarHBondContact O-N 3.38Å; F244-V248 WeakPolarHBondContact CD2-O 3.33Å; V248-E250 WeakPolarHBondContact CG1-O 3.48Å; V248-I251 HydrophobicContact CG1-CG2 3.9Å; V248-L311 HydrophobicContact CG1-CD1 4.42Å
249	K	96.3	Very high	95.8	Very high	61 Å²	61	27.2 Å²	27.2	27%	0.265	15%	0.148	S	C	.	.			trans	-105.4	-20.4	177.2	-62.7	-61.2	-170	175.3	0	112.9	P202 G247 R312 L468 Y517	P202-K249 PolarHBondContact O-N 2.72Å; G247-K249 PolarHBondContact O-N 3.19Å; K249-R312 PolarHBondContact O-N 3.45Å; K249-L468 HydrophobicContact CB-CD1 3.7Å; K249-L468 HydrophobicContact CB-CD2 3.9Å; K249-L468 HydrophobicContact CB-CG 4.48Å; K249-L468 HydrophobicContact CG-CD1 4.2Å; K249-Y517 HydrophobicContact CB-CE2 4.35Å; K249-Y517 HydrophobicContact CD-CE2 4.32Å; K249-Y517 PolarHBondContact O-OH 3.41Å
250	E	98	Very high	95.7	Very high	5 Å²	5	26.4 Å²	26.4	2%	0.023	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.6	175.2	-172.8	-177.1	102.5	0	0	112	P202 T203 A204 V248 R312 R314 L468	P202-E250 PolarHBondContact O-N 3.26Å; P202-E250 VanDerWaalsContact O-N 3.11Å; T203-E250 CarbonylContact C-O 3.56Å; T203-E250 VanDerWaalsContact CA-O 3.25Å; T203-E250 WeakPolarHBondContact CA-O 3.27Å; T203-E250 HydrophobicContact CG2-CB 3.94Å; A204-E250 PolarHBondContact N-O 2.7Å; V248-E250 WeakPolarHBondContact CG1-O 3.48Å; E250-R312 CarbonylContact C-O 3.59Å; E250-R312 VanDerWaalsContact CA-O 3.24Å; E250-R312 WeakPolarHBondContact CA-O 3.41Å; E250-R312 HydrophobicContact CB-CB 4.14Å; E250-R312 HydrophobicContact CG-CB 4.05Å; E250-R312 HydrophobicContact CG-CG 4.02Å; E250-R312 WeakPolarHBondContact OE2-CD 3.47Å; E250-R312 IonicContact OE2-NH1 3.58Å; E250-R314 HydrophobicContact CG-CG 4.47Å; E250-R314 WeakPolarHBondContact OE1-CD 3.32Å; E250-R314 IonicContact OE1-NE 3.8Å; E250-R314 PolarHBondContact OE1-NE 2.95Å; E250-R314 IonicContact OE2-CZ 3.05Å; E250-R314 VanDerWaalsContact OE2-CZ 3.31Å; E250-R314 IonicContact OE2-NE 2.67Å; E250-R314 PolarHBondContact OE2-NE 3.45Å; E250-R314 IonicContact OE2-NH2 3.45Å; E250-R314 PolarHBondContact OE2-NH2 3.41Å; E250-L468 HydrophobicContact CB-CD2 3.56Å
251	I	97.5	Very high	95.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.1	168.2	52.5	169.7	0	0	0	110.5	A204 L206 A240 L243 V248 L253 V304 L311 R312 I313 R314	A204-I251 HydrophobicContact CB-CG2 4.5Å; A204-I251 WeakPolarHBondContact O-CA 3.32Å; L206-I251 HydrophobicContact CD2-CD1 4.22Å; A240-I251 HydrophobicContact CB-CD1 4.19Å; L243-I251 HydrophobicContact CD1-CG2 4.15Å; V248-I251 HydrophobicContact CG1-CG2 3.9Å; I251-L253 HydrophobicContact CD1-CD2 4.28Å; I251-V304 HydrophobicContact CD1-CG1 3.37Å; I251-L311 HydrophobicContact CD1-CD2 3.8Å; I251-L311 HydrophobicContact CD1-CG 4.34Å; I251-L311 HydrophobicContact CG1-CD1 4.1Å; I251-L311 HydrophobicContact CG1-CD2 4.09Å; I251-L311 HydrophobicContact CG1-CG 4.1Å; I251-L311 HydrophobicContact CG2-CD1 4.19Å; I251-R312 PolarHBondContact N-O 2.98Å; I251-I313 HydrophobicContact CD1-CG1 4.19Å; I251-I313 HydrophobicContact CG1-CG1 4Å; I251-I313 WeakPolarHBondContact O-CA 2.92Å; I251-R314 PolarHBondContact O-N 3.39Å
252	T	97.9	Very high	95.4	Very high	17 Å²	17	23.6 Å²	23.6	10%	0.104	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.4	168.3	-60	0	0	0	0	109.2	A204 F205 L206 L254 R314 T316	A204-T252 PolarHBondContact O-N 3.09Å; F205-T252 HydrophobicContact CD1-CG2 4.21Å; F205-T252 HydrophobicContact CE1-CG2 4.26Å; L206-T252 PolarHBondContact N-O 3.39Å; T252-L254 HydrophobicContact CG2-CD2 3.86Å; T252-L254 PolarHBondContact O-N 2.81Å; T252-R314 CarbonylContact C-O 3.49Å; T252-R314 WeakPolarHBondContact CA-O 3.47Å; T252-R314 HydrophobicContact CG2-CB 4.15Å; T252-T316 HydrophobicContact CG2-CG2 4.33Å
253	L	98.6	Very high	95.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	126.2	174.1	-53.2	-176.1	0	0	0	109.7	L206 V208 I251 V258 F297 L300 L301 I313 R314 F315 T316	L206-L253 HydrophobicContact CB-CD2 4.23Å; L206-L253 HydrophobicContact CD2-CD2 3.89Å; L206-L253 HydrophobicContact CG-CD2 4.26Å; L206-L253 CarbonylContact O-C 3.55Å; L206-L253 WeakPolarHBondContact O-CA 3.42Å; V208-L253 HydrophobicContact CG1-CB 4.26Å; V208-L253 HydrophobicContact CG1-CD2 3.93Å; I251-L253 HydrophobicContact CD1-CD2 4.28Å; L253-V258 HydrophobicContact CB-CG2 4.17Å; L253-F297 HydrophobicContact CD1-CE2 4.35Å; L253-L300 HydrophobicContact CD1-CD2 4.41Å; L253-L301 HydrophobicContact CD1-CD1 4.34Å; L253-I313 HydrophobicContact CD1-CG2 4.4Å; L253-I313 HydrophobicContact CG-CG2 4.44Å; L253-R314 PolarHBondContact N-O 2.85Å; L253-F315 HydrophobicContact CB-CB 3.99Å; L253-F315 WeakPolarHBondContact O-CA 3.44Å; L253-T316 PolarHBondContact O-N 2.77Å
254	L	97.3	Very high	94.9	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.6	-176.2	-61.5	-169.9	0	0	0	112.7	Q40 M41 F205 L206 S207 V208 T252 T316	Q40-L254 HydrophobicContact CB-CD1 3.93Å; Q40-L254 HydrophobicContact CB-CD2 3.91Å; M41-L254 HydrophobicContact SD-CB 3.56Å; M41-L254 VanDerWaalsContact SD-CB 3.56Å; M41-L254 HydrophobicContact SD-CD1 3.99Å; M41-L254 HydrophobicContact SD-CG 4.4Å; F205-L254 HydrophobicContact CB-CD1 3.53Å; F205-L254 HydrophobicContact CB-CG 4.05Å; F205-L254 HydrophobicContact CD1-CD1 3.77Å; F205-L254 HydrophobicContact CD1-CD2 3.83Å; F205-L254 HydrophobicContact CD1-CG 3.92Å; F205-L254 HydrophobicContact CD2-CD1 4.42Å; F205-L254 HydrophobicContact CE1-CD2 4.33Å; F205-L254 HydrophobicContact CG-CD1 3.66Å; F205-L254 HydrophobicContact CG-CG 4.23Å; L206-L254 PolarHBondContact O-N 2.87Å; S207-L254 CarbonylContact C-O 3.53Å; S207-L254 WeakPolarHBondContact CA-O 3.43Å; V208-L254 WeakPolarHBondContact CG2-O 3.33Å; V208-L254 PolarHBondContact N-O 2.81Å; T252-L254 HydrophobicContact CG2-CD2 3.86Å; T252-L254 PolarHBondContact O-N 2.81Å; L254-T316 HydrophobicContact CD2-CG2 3.66Å
255	G	96	Very high	94.3	Very high	1 Å²	1	27 Å²	27	1%	0.01	15%	0.154	C	C	.	.			trans	-158.4	167.2	166.5	0	0	0	0	0	109.7	S317	G255-S317 WeakPolarHBondContact O-CB 3.46Å
256	Q	94.7	Very high	93	Very high	34 Å²	34	24.5 Å²	24.5	16%	0.159	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-22	167	-73.8	76.9	22.7	0	0	112.1	R210 G211 C212 V221 R225	R210-Q256 VanDerWaalsContact CA-OE1 3.25Å; G211-Q256 WeakPolarHBondContact O-CB 3.37Å; C212-Q256 HydrophobicContact CB-CB 4.31Å; V221-Q256 HydrophobicContact CG1-CB 3.93Å; V221-Q256 HydrophobicContact CG1-CG 3.63Å; R225-Q256 HydrophobicContact CG-CG 4.35Å
257	N	93.7	Very high	91.4	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-147.2	66.9	175.3	-172.9	11.4	0	0	0	109.3	M209 N214 E228 N259 S260 S317 H319	M209-N257 VanDerWaalsContact SD-C 3.52Å; M209-N257 HydrophobicContact SD-CB 4.4Å; N214-N257 PolarHBondContact ND2-ND2 3.34Å; E228-N257 PolarHBondContact OE1-ND2 3.36Å; N257-N259 PolarHBondContact O-N 3.31Å; N257-N259 VanDerWaalsContact O-N 3.07Å; N257-N259 PolarHBondContact OD1-OD1 3.42Å; N257-S260 VanDerWaalsContact CG-OG 3.24Å; N257-S260 WeakPolarHBondContact ND2-CB 3.43Å; N257-S260 PolarHBondContact ND2-OG 2.92Å; N257-S260 WeakPolarHBondContact O-CB 3.5Å; N257-S260 PolarHBondContact O-N 3.02Å; N257-S260 PolarHBondContact OD1-OG 3.12Å; N257-S317 CarbonylContact C-O 3.52Å; N257-S317 VanDerWaalsContact CA-O 3.28Å; N257-S317 WeakPolarHBondContact CA-O 3.22Å; N257-H319 WeakPolarHBondContact OD1-CB 3.42Å; N257-H319 PolarHBondContact OD1-N 3.02Å
258	V	96.2	Very high	89.7	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-54.8	-36.2	-159.4	71.6	0	0	0	0	114.2	V208 L253 S260 Y261 F297 F315 T316 S317 P318	V208-V258 HydrophobicContact CG2-CG2 3.78Å; L253-V258 HydrophobicContact CB-CG2 4.17Å; V258-S260 VanDerWaalsContact C-N 3.32Å; V258-S260 PolarHBondContact O-N 2.68Å; V258-Y261 WeakPolarHBondContact O-CB 2.99Å; V258-Y261 PolarHBondContact O-N 2.84Å; V258-F297 HydrophobicContact CG2-CE2 4.03Å; V258-F297 WeakPolarHBondContact O-CD2 3.14Å; V258-F315 HydrophobicContact CG1-CB 4.16Å; V258-F315 HydrophobicContact CG1-CD2 3.96Å; V258-F315 HydrophobicContact CG1-CG 4.5Å; V258-F315 HydrophobicContact CG2-CB 4.38Å; V258-T316 WeakPolarHBondContact CB-O 3.44Å; V258-T316 WeakPolarHBondContact CG1-O 3.38Å; V258-S317 PolarHBondContact N-O 3.09Å; V258-S317 VanDerWaalsContact N-O 3.09Å; V258-P318 HydrophobicContact CG1-CB 3.96Å
259	N	94.9	Very high	87.9	Confident	7 Å²	7	33 Å²	33	4%	0.037	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-85.3	0.8	-178.6	63.7	-24.9	0	0	0	114.2	N257 F297 P318 H319 D322	N257-N259 PolarHBondContact O-N 3.31Å; N257-N259 VanDerWaalsContact O-N 3.07Å; N257-N259 PolarHBondContact OD1-OD1 3.42Å; N259-F297 HydrophobicContact CB-CB 4.36Å; N259-F297 HydrophobicContact CB-CD1 3.66Å; N259-F297 HydrophobicContact CB-CD2 4.4Å; N259-F297 HydrophobicContact CB-CE1 4Å; N259-F297 HydrophobicContact CB-CG 3.88Å; N259-P318 HydrophobicContact CB-CB 4.08Å; N259-P318 WeakPolarHBondContact ND2-CB 3.42Å; N259-P318 WeakPolarHBondContact OD1-CA 3.29Å; N259-P318 VanDerWaalsContact OD1-CB 3.31Å; N259-P318 WeakPolarHBondContact OD1-CB 3.19Å; N259-H319 PolarHBondContact ND2-O 3.36Å; N259-H319 PolarHBondContact OD1-N 2.97Å; N259-D322 HydrophobicContact CB-CB 4.37Å; N259-D322 PolarHBondContact ND2-O 3.31Å
260	S	93.5	Very high	85.6	Confident	8 Å²	8	34.5 Å²	34.5	6%	0.056	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-86.7	12.7	162.7	-66.3	0	0	0	0	113	E228 N257 V258 C262 K291 D322	E228-S260 WeakPolarHBondContact OE2-CB 3.4Å; N257-S260 VanDerWaalsContact CG-OG 3.24Å; N257-S260 WeakPolarHBondContact ND2-CB 3.43Å; N257-S260 PolarHBondContact ND2-OG 2.92Å; N257-S260 WeakPolarHBondContact O-CB 3.5Å; N257-S260 PolarHBondContact O-N 3.02Å; N257-S260 PolarHBondContact OD1-OG 3.12Å; V258-S260 VanDerWaalsContact C-N 3.32Å; V258-S260 PolarHBondContact O-N 2.68Å; S260-C262 PolarHBondContact O-N 3.43Å; S260-K291 PolarHBondContact O-NZ 3.22Å; S260-D322 PolarHBondContact OG-OD2 3.08Å
261	Y	95.2	Very high	83.2	Confident	3 Å²	3	40.8 Å²	40.8	1%	0.012	23%	0.233	C	C	.	.			trans	-49.2	132.7	172.6	-178.6	-93.4	0	0	0	111.4	V208 R231 L233 I236 V258 D263 L300	V208-Y261 HydrophobicContact CB-CD2 4.24Å; V208-Y261 HydrophobicContact CB-CE2 4.39Å; V208-Y261 HydrophobicContact CG2-CD2 4.32Å; R231-Y261 VanDerWaalsContact O-CE2 3.26Å; R231-Y261 WeakPolarHBondContact O-CE2 3.44Å; R231-Y261 PolarHBondContact O-OH 3.23Å; L233-Y261 WeakPolarHBondContact CA-OH 3.21Å; L233-Y261 PolarHBondContact N-OH 3.38Å; I236-Y261 HydrophobicContact CD1-CE2 3.5Å; V258-Y261 WeakPolarHBondContact O-CB 2.99Å; V258-Y261 PolarHBondContact O-N 2.84Å; Y261-D263 HydrophobicContact CE1-CB 3.92Å; Y261-D263 WeakPolarHBondContact OH-CB 3.48Å; Y261-L300 HydrophobicContact CD1-CB 3.78Å; Y261-L300 HydrophobicContact CD1-CD2 3.86Å; Y261-L300 HydrophobicContact CD1-CG 4.41Å; Y261-L300 HydrophobicContact CD2-CD2 3.73Å; Y261-L300 HydrophobicContact CE1-CB 3.73Å; Y261-L300 HydrophobicContact CE1-CD2 4.1Å; Y261-L300 HydrophobicContact CE1-CG 4.35Å; Y261-L300 HydrophobicContact CE2-CD2 3.98Å; Y261-L300 HydrophobicContact CG-CB 4.44Å; Y261-L300 HydrophobicContact CG-CD2 3.66Å
262	C	93.3	Very high	80.8	Confident	8 Å²	8	47.1 Å²	47.1	5%	0.054	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	105.7	-178.5	-178.7	0	0	0	0	108.7	S230 S260 N264 K291 L295 R296	S230-C262 WeakPolarHBondContact CB-O 3.45Å; S230-C262 PolarHBondContact OG-N 2.97Å; S230-C262 PolarHBondContact OG-O 3.47Å; S260-C262 PolarHBondContact O-N 3.43Å; C262-N264 PolarHBondContact SG-OD1 3.09Å; C262-K291 HydrophobicContact CB-CD 3.39Å; C262-L295 CarbonylContact C-O 3.58Å; C262-L295 WeakPolarHBondContact CA-O 3.45Å; C262-R296 PolarHBondContact SG-NH1 2.79Å
263	D	93	Very high	78.5	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.043	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	115.9	176.6	176.7	19.8	0	0	0	110.8	P232 L233 Y261 S265 G294 L295	P232-D263 WeakPolarHBondContact CA-OD2 3.23Å; L233-D263 PolarHBondContact N-OD2 2.87Å; Y261-D263 HydrophobicContact CE1-CB 3.92Å; Y261-D263 WeakPolarHBondContact OH-CB 3.48Å; D263-S265 VanDerWaalsContact CG-OG 3.27Å; D263-S265 WeakPolarHBondContact OD1-CB 3.12Å; D263-S265 PolarHBondContact OD1-N 3.18Å; D263-S265 PolarHBondContact OD1-OG 2.84Å; D263-S265 PolarHBondContact OD2-OG 2.99Å; D263-G294 CarbonylContact O-C 3.58Å; D263-G294 WeakPolarHBondContact O-CA 3.29Å; D263-L295 HydrophobicContact CB-CB 4.3Å; D263-L295 PolarHBondContact N-O 2.92Å; D263-L295 PolarHBondContact O-N 2.75Å
264	N	86.7	Confident	76	Confident	98 Å²	98	50.5 Å²	50.5	52%	0.524	29%	0.291	S	S	.	.			trans	-105	8.3	178.6	-61.9	-41.4	0	0	0	112.5	C262 N266 G294	C262-N264 PolarHBondContact SG-OD1 3.09Å; N264-N266 VanDerWaalsContact C-N 3.33Å; N264-G294 WeakPolarHBondContact OD1-CA 3.43Å
265	S	83.3	Confident	73.7	Confident	72 Å²	72	58.1 Å²	58.1	50%	0.503	32%	0.324	S	S	.	.	S	Bend	trans	-70.3	-30.8	-176.3	63.5	0	0	0	0	112.7	D263	D263-S265 VanDerWaalsContact CG-OG 3.27Å; D263-S265 WeakPolarHBondContact OD1-CB 3.12Å; D263-S265 PolarHBondContact OD1-N 3.18Å; D263-S265 PolarHBondContact OD1-OG 2.84Å; D263-S265 PolarHBondContact OD2-OG 2.99Å
266	N	66.7	Low	71.8	Confident	64 Å²	64	61.4 Å²	61.4	34%	0.342	34%	0.344	S	S	.	.			trans	-94.8	103.4	-179.4	-157.6	-17.8	0	0	0	111.2	N264 D268 L269	N264-N266 VanDerWaalsContact C-N 3.33Å; N266-D268 VanDerWaalsContact C-N 3.34Å; N266-D268 PolarHBondContact OD1-N 2.79Å; N266-L269 HydrophobicContact CB-CD1 4.23Å; N266-L269 HydrophobicContact CB-CG 4.31Å
267	T	58.5	Low	70.1	Confident	124 Å²	124	64.8 Å²	64.8	76%	0.761	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-15.4	177.6	50.3	0	0	0	0	113.5	L269	T267-L269 PolarHBondContact O-N 3.49Å
268	D	58.4	Low	68.7	Low	142 Å²	142	66.7 Å²	66.7	76%	0.759	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	2.3	-172.9	-65.5	-17.5	0	0	0	113.3	N266	N266-D268 VanDerWaalsContact C-N 3.34Å; N266-D268 PolarHBondContact OD1-N 2.79Å
269	L	55.2	Low	67.8	Low	39 Å²	39	70.8 Å²	70.8	20%	0.204	40%	0.4	C	S	.	.	S	Bend	trans	-61.9	138.7	175.3	-68.9	164.9	0	0	0	110.1	N266 T267 I271 S273 L295	N266-L269 HydrophobicContact CB-CD1 4.23Å; N266-L269 HydrophobicContact CB-CG 4.31Å; T267-L269 PolarHBondContact O-N 3.49Å; L269-I271 PolarHBondContact O-N 3.29Å; L269-S273 WeakPolarHBondContact CB-OG 3.36Å; L269-L295 HydrophobicContact CD1-CD1 4.03Å; L269-L295 HydrophobicContact CD1-CD2 3.49Å; L269-L295 VanDerWaalsContact CD1-CD2 3.49Å; L269-L295 HydrophobicContact CD1-CG 3.46Å; L269-L295 VanDerWaalsContact CD1-CG 3.46Å; L269-L295 HydrophobicContact CD2-CD2 3.81Å; L269-L295 HydrophobicContact CD2-CG 4.43Å; L269-L295 HydrophobicContact CG-CD2 4.3Å
270	P	48.3	Very low	67.4	Low	91 Å²	91	73.1 Å²	73.1	59%	0.591	41%	0.412	S	S	*	.			trans	-51.2	138.6	-175.7	17.1	-28.7	0	0	0	110.5	N272 S273	P270-N272 PolarHBondContact O-N 2.91Å; P270-S273 PolarHBondContact O-N 2.7Å; P270-S273 PolarHBondContact O-OG 2.94Å
271	I	47.2	Very low	67.3	Low	138 Å²	138	73.2 Å²	73.2	71%	0.708	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-23.1	-175.2	-63.4	168	0	0	0	112.8	L269 S274	L269-I271 PolarHBondContact O-N 3.29Å; I271-S274 WeakPolarHBondContact O-CB 3.26Å; I271-S274 PolarHBondContact O-N 3.26Å
272	N	48.1	Very low	67.2	Low	133 Å²	133	78.1 Å²	78.1	71%	0.711	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-32.2	173.6	-80.8	-10.7	0	0	0	114.6	P270 S274 K275	P270-N272 PolarHBondContact O-N 2.91Å; N272-S274 VanDerWaalsContact C-N 3.34Å; N272-K275 PolarHBondContact O-N 2.76Å
273	S	48.6	Very low	67.2	Low	28 Å²	28	80.5 Å²	80.5	20%	0.196	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-73	-24.7	171.8	33.1	0	0	0	0	113.2	L269 P270 K275 T276	L269-S273 WeakPolarHBondContact CB-OG 3.36Å; P270-S273 PolarHBondContact O-N 2.7Å; P270-S273 PolarHBondContact O-OG 2.94Å; S273-K275 PolarHBondContact O-N 2.92Å; S273-K275 VanDerWaalsContact O-N 3.16Å; S273-T276 PolarHBondContact O-N 3.05Å; S273-T276 PolarHBondContact O-OG1 3.13Å; S273-T276 VanDerWaalsContact O-OG1 3.07Å
274	S	47.6	Very low	67.4	Low	60 Å²	60	81 Å²	81	42%	0.42	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-64.9	-16.3	172.7	-50.3	0	0	0	0	112.9	I271 N272	I271-S274 WeakPolarHBondContact O-CB 3.26Å; I271-S274 PolarHBondContact O-N 3.26Å; N272-S274 VanDerWaalsContact C-N 3.34Å
275	K	48.9	Very low	67.7	Low	161 Å²	161	81.6 Å²	81.6	70%	0.7	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-95.1	-1.9	177.9	-75.5	-174	178.3	177.1	0	114.8	N272 S273 I277	N272-K275 PolarHBondContact O-N 2.76Å; S273-K275 PolarHBondContact O-N 2.92Å; S273-K275 VanDerWaalsContact O-N 3.16Å; K275-I277 VanDerWaalsContact C-N 3.3Å; K275-I277 PolarHBondContact O-N 2.86Å
276	T	54.8	Low	68	Low	71 Å²	71	80.1 Å²	80.1	44%	0.436	46%	0.459	S	S	.	.			trans	-73.7	87.4	179	-28.2	0	0	0	0	109.5	S273 S278 R296	S273-T276 PolarHBondContact O-N 3.05Å; S273-T276 PolarHBondContact O-OG1 3.13Å; S273-T276 VanDerWaalsContact O-OG1 3.07Å; T276-S278 PolarHBondContact O-N 3.17Å; T276-R296 PolarHBondContact O-NH2 3.5Å
277	I	59.2	Low	68.7	Low	105 Å²	105	83 Å²	83	54%	0.538	48%	0.478	S	S	.	.			trans	-63.9	130.5	167.6	-63.5	173.9	0	0	0	106.5	K275 T279 P290	K275-I277 VanDerWaalsContact C-N 3.3Å; K275-I277 PolarHBondContact O-N 2.86Å; I277-T279 PolarHBondContact O-N 2.96Å; I277-P290 HydrophobicContact CG2-CB 4.3Å
278	S	65.6	Low	69.7	Low	40 Å²	40	78.4 Å²	78.4	28%	0.28	45%	0.447	S	S	.	.			trans	-54.1	109.3	172.5	-174.6	0	0	0	0	109.6	T276 L280	T276-S278 PolarHBondContact O-N 3.17Å; S278-L280 PolarHBondContact O-N 3.44Å
279	T	76.1	Confident	70.5	Confident	87 Å²	87	80.8 Å²	80.8	53%	0.534	45%	0.451	S	S	.	.			trans	-82.9	115.1	175.2	49.1	0	0	0	0	109	I277	I277-T279 PolarHBondContact O-N 2.96Å
280	L	86.6	Confident	71.4	Confident	55 Å²	55	82.2 Å²	82.2	29%	0.288	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-66.3	151	170.6	-61.3	174.5	0	0	0	109.7	S278 F284 T286 K321	S278-L280 PolarHBondContact O-N 3.44Å; L280-F284 HydrophobicContact CB-CB 4.46Å; L280-F284 WeakPolarHBondContact CD1-O 3.26Å; L280-T286 HydrophobicContact CD1-CG2 4.05Å; L280-T286 HydrophobicContact CD2-CG2 4.2Å; L280-K321 HydrophobicContact CD2-CB 4.29Å; L280-K321 HydrophobicContact CD2-CD 4.31Å; L280-K321 HydrophobicContact CD2-CG 4.12Å
281	V	91.9	Very high	72.7	Confident	11 Å²	11	79.9 Å²	79.9	7%	0.067	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-55.1	138.1	166.5	174.9	0	0	0	0	109.7	G283 F284 P320 K321 F323 L368	V281-G283 PolarHBondContact O-N 3.32Å; V281-F284 HydrophobicContact CB-CD2 3.55Å; V281-F284 HydrophobicContact CB-CE2 3.92Å; V281-F284 HydrophobicContact CB-CG 4.05Å; V281-F284 HydrophobicContact CG1-CD2 3.49Å; V281-F284 VanDerWaalsContact CG1-CD2 3.49Å; V281-F284 HydrophobicContact CG1-CE2 3.45Å; V281-F284 VanDerWaalsContact CG1-CE2 3.45Å; V281-F284 HydrophobicContact CG1-CG 4.45Å; V281-F284 HydrophobicContact CG1-CZ 4.38Å; V281-F284 VanDerWaalsContact O-CB 3.28Å; V281-F284 WeakPolarHBondContact O-CB 3.38Å; V281-F284 WeakPolarHBondContact O-CD2 3.28Å; V281-F284 PolarHBondContact O-N 2.98Å; V281-P320 WeakPolarHBondContact CG2-O 3.1Å; V281-K321 PolarHBondContact N-O 3.48Å; V281-K321 VanDerWaalsContact N-O 3.13Å; V281-F323 HydrophobicContact CG2-CB 4.25Å; V281-F323 WeakPolarHBondContact CG2-O 3.29Å; V281-L368 HydrophobicContact CG1-CB 4.09Å; V281-L368 HydrophobicContact CG1-CD1 3.91Å; V281-L368 HydrophobicContact CG1-CD2 4.29Å; V281-L368 HydrophobicContact CG1-CG 4.31Å; V281-L368 HydrophobicContact CG2-CD1 4.04Å; V281-L368 HydrophobicContact CG2-CD2 4.39Å
282	P	93	Very high	74	Confident	105 Å²	105	78.5 Å²	78.5	68%	0.682	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	134.2	177	-28.5	35.9	0	0	0	112.7	F284	P282-F284 VanDerWaalsContact C-N 3.3Å; P282-F284 WeakPolarHBondContact O-CD2 3.35Å; P282-F284 PolarHBondContact O-N 2.91Å
283	G	94.1	Very high	75.6	Confident	59 Å²	59	72.5 Å²	72.5	61%	0.608	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-1.4	-176.4	0	0	0	0	0	115.3	V281	V281-G283 PolarHBondContact O-N 3.32Å
284	F	95.5	Very high	77.4	Confident	17 Å²	17	71.8 Å²	71.8	8%	0.075	41%	0.408	C	S	.	.			trans	-97.9	144.8	175.1	-67.9	-114.5	0	0	0	111.6	L280 V281 P282 P320 K321 G359 Y360 A364 L368	L280-F284 HydrophobicContact CB-CB 4.46Å; L280-F284 WeakPolarHBondContact CD1-O 3.26Å; V281-F284 HydrophobicContact CB-CD2 3.55Å; V281-F284 HydrophobicContact CB-CE2 3.92Å; V281-F284 HydrophobicContact CB-CG 4.05Å; V281-F284 HydrophobicContact CG1-CD2 3.49Å; V281-F284 VanDerWaalsContact CG1-CD2 3.49Å; V281-F284 HydrophobicContact CG1-CE2 3.45Å; V281-F284 VanDerWaalsContact CG1-CE2 3.45Å; V281-F284 HydrophobicContact CG1-CG 4.45Å; V281-F284 HydrophobicContact CG1-CZ 4.38Å; V281-F284 VanDerWaalsContact O-CB 3.28Å; V281-F284 WeakPolarHBondContact O-CB 3.38Å; V281-F284 WeakPolarHBondContact O-CD2 3.28Å; V281-F284 PolarHBondContact O-N 2.98Å; P282-F284 VanDerWaalsContact C-N 3.3Å; P282-F284 WeakPolarHBondContact O-CD2 3.35Å; P282-F284 PolarHBondContact O-N 2.91Å; F284-P320 HydrophobicContact CE1-CB 3.73Å; F284-P320 HydrophobicContact CZ-CB 4.18Å; F284-K321 HydrophobicContact CB-CB 4.07Å; F284-K321 HydrophobicContact CD1-CB 3.59Å; F284-K321 HydrophobicContact CE1-CB 4.44Å; F284-K321 HydrophobicContact CG-CB 4.14Å; F284-G359 CarbonylContact C-O 3.57Å; F284-G359 VanDerWaalsContact CA-O 3.28Å; F284-G359 WeakPolarHBondContact CA-O 3.12Å; F284-Y360 VanDerWaalsContact CD1-CB 3.44Å; F284-Y360 AromaticContact CD1-CD1 3.36Å; F284-Y360 HydrophobicContact CD1-CD1 3.36Å; F284-Y360 HydrophobicContact CD1-CE1 4.28Å; F284-Y360 AromaticContact CD1-CG 3.62Å; F284-Y360 HydrophobicContact CD1-CG 3.62Å; F284-Y360 VanDerWaalsContact CE1-CB 3.46Å; F284-Y360 AromaticContact CE1-CD1 3.12Å; F284-Y360 HydrophobicContact CE1-CD1 3.12Å; F284-Y360 AromaticContact CE1-CD2 3.99Å; F284-Y360 HydrophobicContact CE1-CD2 3.99Å; F284-Y360 AromaticContact CE1-CE1 3.76Å; F284-Y360 HydrophobicContact CE1-CE1 3.76Å; F284-Y360 AromaticContact CE1-CG 3.24Å; F284-Y360 HydrophobicContact CE1-CG 3.24Å; F284-Y360 HydrophobicContact CG-CD1 4.49Å; F284-Y360 HydrophobicContact CG-CG 4.45Å; F284-Y360 HydrophobicContact CZ-CD1 4.14Å; F284-Y360 HydrophobicContact CZ-CD2 4.24Å; F284-Y360 AromaticContact CZ-CG 3.82Å; F284-Y360 HydrophobicContact CZ-CG 3.82Å; F284-A364 HydrophobicContact CD2-CB 4.38Å; F284-A364 HydrophobicContact CE2-CB 4.08Å; F284-L368 HydrophobicContact CE2-CB 4.41Å; F284-L368 HydrophobicContact CE2-CD2 4.41Å; F284-L368 HydrophobicContact CZ-CD2 3.97Å
285	K	93	Very high	79.5	Confident	111 Å²	111	70 Å²	70	48%	0.483	39%	0.393	S	S	.	.			trans	-126.7	153.3	175.2	62.9	-179.7	178.4	-177.6	0	110	E354 G359	K285-E354 WeakPolarHBondContact CE-OE2 3.35Å; K285-E354 VanDerWaalsContact NZ-CD 3.27Å; K285-E354 IonicContact NZ-OE1 3.09Å; K285-E354 PolarHBondContact NZ-OE1 3.18Å; K285-E354 IonicContact NZ-OE2 3.67Å; K285-E354 PolarHBondContact NZ-OE2 2.92Å; K285-G359 WeakPolarHBondContact CG-O 3.48Å; K285-G359 PolarHBondContact N-O 2.71Å; K285-G359 WeakPolarHBondContact O-CA 3.48Å
286	T	89.8	Confident	81.6	Confident	42 Å²	42	63.9 Å²	63.9	26%	0.258	37%	0.365	S	S	.	.			trans	-138.3	150.5	171.5	-173.3	0	0	0	0	110.9	L280 Y288	L280-T286 HydrophobicContact CD1-CG2 4.05Å; L280-T286 HydrophobicContact CD2-CG2 4.2Å; T286-Y288 HydrophobicContact CG2-CD1 4.42Å; T286-Y288 HydrophobicContact CG2-CE1 4.36Å; T286-Y288 HydrophobicContact CG2-CE2 4.46Å; T286-Y288 WeakPolarHBondContact CG2-O 3.31Å; T286-Y288 WeakPolarHBondContact OG1-CD1 3.49Å; T286-Y288 WeakPolarHBondContact OG1-CE1 3.46Å; T286-Y288 PolarHBondContact OG1-N 2.82Å
287	V	82.2	Confident	83.5	Confident	123 Å²	123	60.7 Å²	60.7	75%	0.745	35%	0.346	S	S	*	.	S	Bend	trans	-86.9	-16.8	178.2	-63.7	0	0	0	0	113.1
288	Y	79.7	Confident	85.2	Confident	29 Å²	29	58.6 Å²	58.6	11%	0.114	33%	0.333	C	S	.	.	S	Bend	trans	-89.7	149.1	178.5	68.7	-101.3	0	0	0	111.3	D213 T286 K321	D213-Y288 HydrophobicContact CB-CD1 4.04Å; D213-Y288 HydrophobicContact CB-CE1 4.47Å; D213-Y288 HydrophobicContact CB-CG 4.18Å; T286-Y288 HydrophobicContact CG2-CD1 4.42Å; T286-Y288 HydrophobicContact CG2-CE1 4.36Å; T286-Y288 HydrophobicContact CG2-CE2 4.46Å; T286-Y288 WeakPolarHBondContact CG2-O 3.31Å; T286-Y288 WeakPolarHBondContact OG1-CD1 3.49Å; T286-Y288 WeakPolarHBondContact OG1-CE1 3.46Å; T286-Y288 PolarHBondContact OG1-N 2.82Å; Y288-K321 VanDerWaalsContact CE1-CE 3.42Å; Y288-K321 VanDerWaalsContact CZ-CE 3.48Å; Y288-K321 WeakPolarHBondContact OH-CE 3.33Å; Y288-K321 PolarHBondContact OH-NZ 2.79Å
289	K	75.6	Confident	86.6	Confident	192 Å²	192	59.2 Å²	59.2	84%	0.835	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-62.3	128.7	179.1	-68.5	-175.8	179.5	-178	0	109.9	K291	K289-K291 PolarHBondContact O-N 2.75Å
290	P	73.2	Confident	87.6	Confident	68 Å²	68	55.1 Å²	55.1	44%	0.442	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-50.2	131	173.5	-26.6	34.2	0	0	0	110.1	I277 V292	I277-P290 HydrophobicContact CG2-CB 4.3Å; P290-V292 PolarHBondContact O-N 3.31Å
291	K	76.5	Confident	88.2	Confident	43 Å²	43	52.5 Å²	52.5	19%	0.187	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-63.6	134.3	173.9	-64.5	-178.5	-170.3	174.2	0	107.3	E228 S260 C262 K289 R296	E228-K291 VanDerWaalsContact OE2-CE 3.28Å; E228-K291 WeakPolarHBondContact OE2-CE 3.33Å; E228-K291 IonicContact OE2-NZ 2.78Å; E228-K291 PolarHBondContact OE2-NZ 3.34Å; S260-K291 PolarHBondContact O-NZ 3.22Å; C262-K291 HydrophobicContact CB-CD 3.39Å; K289-K291 PolarHBondContact O-N 2.75Å; K291-R296 PolarHBondContact O-NH2 2.99Å
292	V	73.3	Confident	88.5	Confident	108 Å²	108	52.9 Å²	52.9	66%	0.655	30%	0.296	S	S	*	.			trans	-106.5	128.9	179.5	-179.1	0	0	0	0	108.4	P290	P290-V292 PolarHBondContact O-N 3.31Å
293	G	81.3	Confident	88.7	Confident	7 Å²	7	51.8 Å²	51.8	7%	0.072	28%	0.282	C	S	.	.	S	Bend	trans	67.3	-169.4	-177	0	0	0	0	0	114.4	R296	G293-R296 PolarHBondContact O-NE 2.85Å; G293-R296 PolarHBondContact O-NH1 3.28Å; G293-R296 PolarHBondContact O-NH2 2.82Å
294	G	87.6	Confident	88.9	Confident	14 Å²	14	49 Å²	49	14%	0.144	25%	0.253	C	S	.	.	S	Bend	trans	79.4	158.4	-177.7	0	0	0	0	0	114.3	D263 N264 R296	D263-G294 CarbonylContact O-C 3.58Å; D263-G294 WeakPolarHBondContact O-CA 3.29Å; N264-G294 WeakPolarHBondContact OD1-CA 3.43Å; G294-R296 PolarHBondContact O-NE 3.05Å
295	L	91.8	Very high	89.1	Confident	21 Å²	21	48.5 Å²	48.5	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.8	175	-61.3	171.2	0	0	0	109.8	L233 C262 D263 L269 D299	L233-L295 HydrophobicContact CB-CD1 4.06Å; L233-L295 HydrophobicContact CD2-CD1 3.58Å; L233-L295 HydrophobicContact CG-CD1 4.46Å; C262-L295 CarbonylContact C-O 3.58Å; C262-L295 WeakPolarHBondContact CA-O 3.45Å; D263-L295 HydrophobicContact CB-CB 4.3Å; D263-L295 PolarHBondContact N-O 2.92Å; D263-L295 PolarHBondContact O-N 2.75Å; L269-L295 HydrophobicContact CD1-CD1 4.03Å; L269-L295 HydrophobicContact CD1-CD2 3.49Å; L269-L295 VanDerWaalsContact CD1-CD2 3.49Å; L269-L295 HydrophobicContact CD1-CG 3.46Å; L269-L295 VanDerWaalsContact CD1-CG 3.46Å; L269-L295 HydrophobicContact CD2-CD2 3.81Å; L269-L295 HydrophobicContact CD2-CG 4.43Å; L269-L295 HydrophobicContact CG-CD2 4.3Å; L295-D299 HydrophobicContact CB-CB 4.04Å; L295-D299 HydrophobicContact CD2-CB 4.02Å
296	R	92.2	Very high	89.3	Confident	33 Å²	33	50 Å²	50	13%	0.125	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	178.3	-173.8	-55.7	-52.7	-173.3	167.7	7.2	111.6	C262 T276 K291 G293 G294 F298 D299 L300	C262-R296 PolarHBondContact SG-NH1 2.79Å; T276-R296 PolarHBondContact O-NH2 3.5Å; K291-R296 PolarHBondContact O-NH2 2.99Å; G293-R296 PolarHBondContact O-NE 2.85Å; G293-R296 PolarHBondContact O-NH1 3.28Å; G293-R296 PolarHBondContact O-NH2 2.82Å; G294-R296 PolarHBondContact O-NE 3.05Å; R296-F298 PolarHBondContact O-N 2.89Å; R296-D299 PolarHBondContact N-OD2 3.07Å; R296-D299 PolarHBondContact O-N 3.13Å; R296-D299 VanDerWaalsContact O-N 3.11Å; R296-L300 PolarHBondContact O-N 3.12Å
297	F	95.4	Very high	89.7	Confident	5 Å²	5	49.3 Å²	49.3	2%	0.022	25%	0.248	C	C	.	.	H	α-helix	trans	-58.2	-34.2	175.4	-172.6	-114.3	0	0	0	112.9	L253 V258 N259 L300 L301 F315 V327	L253-F297 HydrophobicContact CD1-CE2 4.35Å; V258-F297 HydrophobicContact CG2-CE2 4.03Å; V258-F297 WeakPolarHBondContact O-CD2 3.14Å; N259-F297 HydrophobicContact CB-CB 4.36Å; N259-F297 HydrophobicContact CB-CD1 3.66Å; N259-F297 HydrophobicContact CB-CD2 4.4Å; N259-F297 HydrophobicContact CB-CE1 4Å; N259-F297 HydrophobicContact CB-CG 3.88Å; F297-L300 HydrophobicContact CD2-CD2 4.17Å; F297-L300 HydrophobicContact CE2-CD2 4.41Å; F297-L301 HydrophobicContact CE1-CD2 4.1Å; F297-L301 HydrophobicContact CZ-CD2 4.44Å; F297-L301 WeakPolarHBondContact O-CB 3.46Å; F297-L301 PolarHBondContact O-N 3.33Å; F297-F315 HydrophobicContact CE1-CD1 4.44Å; F297-F315 HydrophobicContact CE1-CD2 4.38Å; F297-F315 HydrophobicContact CE1-CE1 4.46Å; F297-F315 HydrophobicContact CE1-CE2 4.39Å; F297-F315 HydrophobicContact CE1-CG 4.41Å; F297-F315 HydrophobicContact CE1-CZ 4.44Å; F297-F315 HydrophobicContact CZ-CB 4.05Å; F297-F315 AromaticContact CZ-CD1 3.94Å; F297-F315 HydrophobicContact CZ-CD1 3.94Å; F297-F315 AromaticContact CZ-CD2 3.98Å; F297-F315 HydrophobicContact CZ-CD2 3.98Å; F297-F315 HydrophobicContact CZ-CE1 4.4Å; F297-F315 HydrophobicContact CZ-CE2 4.43Å; F297-F315 AromaticContact CZ-CG 3.72Å; F297-F315 HydrophobicContact CZ-CG 3.72Å; F297-V327 HydrophobicContact CD1-CG1 4.13Å; F297-V327 HydrophobicContact CD1-CG2 4.38Å; F297-V327 HydrophobicContact CE1-CG1 4.21Å
298	F	94.8	Very high	90.4	Very high	61 Å²	61	44.1 Å²	44.1	27%	0.268	22%	0.218	S	C	.	.	H	α-helix	trans	-57.3	-51.5	171.6	175.1	-91.7	0	0	0	111.6	R296 L300 L301 D302 E326 V327 L330	R296-F298 PolarHBondContact O-N 2.89Å; F298-L300 PolarHBondContact O-N 2.73Å; F298-L301 PolarHBondContact O-N 2.98Å; F298-D302 WeakPolarHBondContact O-CB 3.28Å; F298-D302 PolarHBondContact O-N 3.12Å; F298-E326 HydrophobicContact CB-CG 4.43Å; F298-E326 HydrophobicContact CD2-CB 3.86Å; F298-E326 HydrophobicContact CD2-CG 3.82Å; F298-E326 WeakPolarHBondContact CD2-O 3.44Å; F298-E326 HydrophobicContact CE2-CB 3.91Å; F298-E326 HydrophobicContact CE2-CG 4.34Å; F298-E326 WeakPolarHBondContact CE2-O 3.35Å; F298-E326 HydrophobicContact CG-CG 4.18Å; F298-V327 HydrophobicContact CB-CG2 3.91Å; F298-V327 HydrophobicContact CD2-CG2 4.43Å; F298-L330 HydrophobicContact CD2-CB 4.22Å; F298-L330 HydrophobicContact CD2-CD2 3.98Å; F298-L330 HydrophobicContact CE2-CB 3.88Å; F298-L330 HydrophobicContact CE2-CD1 4.4Å; F298-L330 HydrophobicContact CE2-CD2 4Å; F298-L330 HydrophobicContact CE2-CG 4.32Å
299	D	95.5	Very high	91.1	Very high	53 Å²	53	46.9 Å²	46.9	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-63.2	-43.4	-178.1	-53.7	-63.4	0	0	0	111.5	L295 R296 D302 Q303	L295-D299 HydrophobicContact CB-CB 4.04Å; L295-D299 HydrophobicContact CD2-CB 4.02Å; R296-D299 PolarHBondContact N-OD2 3.07Å; R296-D299 PolarHBondContact O-N 3.13Å; R296-D299 VanDerWaalsContact O-N 3.11Å; D299-D302 PolarHBondContact O-N 3.45Å; D299-Q303 WeakPolarHBondContact O-CB 2.83Å; D299-Q303 WeakPolarHBondContact O-CG 3.14Å; D299-Q303 PolarHBondContact O-N 3.22Å
300	L	97.4	Very high	92.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-50.4	174.1	170.7	63.8	0	0	0	111.3	V208 L233 I236 L253 Y261 R296 F297 F298 Q303 V304	V208-L300 HydrophobicContact CB-CD2 3.99Å; V208-L300 HydrophobicContact CG1-CD2 4.07Å; V208-L300 HydrophobicContact CG2-CD2 4.04Å; L233-L300 HydrophobicContact CD1-CB 4.39Å; L233-L300 HydrophobicContact CD1-CD1 3.61Å; I236-L300 HydrophobicContact CB-CD1 4.35Å; I236-L300 HydrophobicContact CD1-CD1 3.8Å; I236-L300 HydrophobicContact CG2-CD1 3.89Å; L253-L300 HydrophobicContact CD1-CD2 4.41Å; Y261-L300 HydrophobicContact CD1-CB 3.78Å; Y261-L300 HydrophobicContact CD1-CD2 3.86Å; Y261-L300 HydrophobicContact CD1-CG 4.41Å; Y261-L300 HydrophobicContact CD2-CD2 3.73Å; Y261-L300 HydrophobicContact CE1-CB 3.73Å; Y261-L300 HydrophobicContact CE1-CD2 4.1Å; Y261-L300 HydrophobicContact CE1-CG 4.35Å; Y261-L300 HydrophobicContact CE2-CD2 3.98Å; Y261-L300 HydrophobicContact CG-CB 4.44Å; Y261-L300 HydrophobicContact CG-CD2 3.66Å; R296-L300 PolarHBondContact O-N 3.12Å; F297-L300 HydrophobicContact CD2-CD2 4.17Å; F297-L300 HydrophobicContact CE2-CD2 4.41Å; F298-L300 PolarHBondContact O-N 2.73Å; L300-Q303 PolarHBondContact O-N 3.22Å; L300-V304 HydrophobicContact CD1-CG2 3.76Å; L300-V304 HydrophobicContact CG-CG2 4.48Å; L300-V304 WeakPolarHBondContact O-CB 3.34Å; L300-V304 WeakPolarHBondContact O-CG2 3.02Å; L300-V304 PolarHBondContact O-N 2.84Å
301	L	98	Very high	93.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.9	-39.5	-176.1	-173.8	60.6	0	0	0	111.2	L253 F297 F298 S305 I313 F315 V327 L330 I331 I337	L253-L301 HydrophobicContact CD1-CD1 4.34Å; F297-L301 HydrophobicContact CE1-CD2 4.1Å; F297-L301 HydrophobicContact CZ-CD2 4.44Å; F297-L301 WeakPolarHBondContact O-CB 3.46Å; F297-L301 PolarHBondContact O-N 3.33Å; F298-L301 PolarHBondContact O-N 2.98Å; L301-S305 VanDerWaalsContact O-CB 3.27Å; L301-S305 WeakPolarHBondContact O-CB 3.46Å; L301-S305 PolarHBondContact O-N 3.22Å; L301-S305 PolarHBondContact O-OG 3.46Å; L301-I313 HydrophobicContact CD1-CG2 3.84Å; L301-F315 HydrophobicContact CD2-CE1 4.47Å; L301-V327 HydrophobicContact CD2-CG1 4.41Å; L301-L330 HydrophobicContact CB-CD2 3.95Å; L301-L330 HydrophobicContact CD2-CD2 4.09Å; L301-L330 HydrophobicContact CG-CD2 3.9Å; L301-I331 HydrophobicContact CD2-CG1 4.18Å; L301-I337 HydrophobicContact CD1-CD1 3.75Å; L301-I337 HydrophobicContact CD1-CG1 4.25Å; L301-I337 HydrophobicContact CD1-CG2 4.38Å; L301-I337 HydrophobicContact CD2-CD1 3.96Å; L301-I337 HydrophobicContact CG-CD1 3.57Å
302	D	98.1	Very high	94.4	Very high	19 Å²	19	34.1 Å²	34.1	10%	0.102	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-50.1	176.4	-175.5	52.5	0	0	0	110.6	F298 D299 V304 S305 R306 L330 R334	F298-D302 WeakPolarHBondContact O-CB 3.28Å; F298-D302 PolarHBondContact O-N 3.12Å; D299-D302 PolarHBondContact O-N 3.45Å; D302-V304 PolarHBondContact O-N 2.69Å; D302-S305 PolarHBondContact O-N 2.96Å; D302-S305 PolarHBondContact O-OG 2.81Å; D302-R306 WeakPolarHBondContact O-CG 3.16Å; D302-R306 PolarHBondContact O-N 3.5Å; D302-R306 IonicContact OD1-CZ 3.56Å; D302-R306 IonicContact OD1-NE 3.33Å; D302-R306 PolarHBondContact OD1-NE 3.44Å; D302-R306 IonicContact OD1-NH2 3.16Å; D302-R306 PolarHBondContact OD1-NH2 3.49Å; D302-R306 VanDerWaalsContact OD1-NH2 3.16Å; D302-R306 IonicContact OD2-CZ 3.39Å; D302-R306 IonicContact OD2-NE 2.89Å; D302-R306 PolarHBondContact OD2-NE 2.78Å; D302-R306 IonicContact OD2-NH2 2.97Å; D302-R306 PolarHBondContact OD2-NH2 3.49Å; D302-L330 HydrophobicContact CB-CD1 4.22Å; D302-L330 HydrophobicContact CB-CD2 3.89Å; D302-R334 IonicContact OD1-CZ 3.52Å; D302-R334 IonicContact OD1-NE 3.47Å; D302-R334 PolarHBondContact OD1-NE 2.87Å; D302-R334 IonicContact OD1-NH2 2.75Å; D302-R334 PolarHBondContact OD1-NH2 3.21Å
303	Q	98.5	Very high	95.6	Very high	83 Å²	83	29 Å²	29	39%	0.388	15%	0.146	S	C	.	.	H	α-helix	trans	-66.6	-41.2	-177.2	-66.8	-68.6	-12.2	0	0	112.3	L233 L237 D299 L300 S305 R306	L233-Q303 HydrophobicContact CD1-CB 4.39Å; L233-Q303 HydrophobicContact CD2-CB 4.38Å; L233-Q303 HydrophobicContact CD2-CG 4.08Å; L237-Q303 HydrophobicContact CD1-CB 4.13Å; L237-Q303 HydrophobicContact CD2-CB 3.89Å; D299-Q303 WeakPolarHBondContact O-CB 2.83Å; D299-Q303 WeakPolarHBondContact O-CG 3.14Å; D299-Q303 PolarHBondContact O-N 3.22Å; L300-Q303 PolarHBondContact O-N 3.22Å; Q303-S305 VanDerWaalsContact C-N 3.31Å; Q303-S305 PolarHBondContact O-N 3.01Å; Q303-R306 PolarHBondContact O-N 2.68Å
304	V	98.6	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64	-37.9	174.6	174	0	0	0	0	111	I236 L237 I251 L300 D302 R306 I307 I313	I236-V304 HydrophobicContact CG2-CG2 4.37Å; L237-V304 HydrophobicContact CD2-CG2 3.86Å; I251-V304 HydrophobicContact CD1-CG1 3.37Å; L300-V304 HydrophobicContact CD1-CG2 3.76Å; L300-V304 HydrophobicContact CG-CG2 4.48Å; L300-V304 WeakPolarHBondContact O-CB 3.34Å; L300-V304 WeakPolarHBondContact O-CG2 3.02Å; L300-V304 PolarHBondContact O-N 2.84Å; D302-V304 PolarHBondContact O-N 2.69Å; V304-R306 PolarHBondContact O-N 3.17Å; V304-I307 HydrophobicContact CG1-CD1 4.33Å; V304-I307 WeakPolarHBondContact O-CB 3.19Å; V304-I307 WeakPolarHBondContact O-CG1 3.39Å; V304-I307 PolarHBondContact O-N 2.89Å; V304-I313 HydrophobicContact CG1-CD1 3.8Å; V304-I313 HydrophobicContact CG1-CG1 4.08Å
305	S	98.1	Very high	96.9	Very high	6 Å²	6	29 Å²	29	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-22.1	176.7	78.4	0	0	0	0	114.6	L301 D302 Q303 R334 N336	L301-S305 VanDerWaalsContact O-CB 3.27Å; L301-S305 WeakPolarHBondContact O-CB 3.46Å; L301-S305 PolarHBondContact O-N 3.22Å; L301-S305 PolarHBondContact O-OG 3.46Å; D302-S305 PolarHBondContact O-N 2.96Å; D302-S305 PolarHBondContact O-OG 2.81Å; Q303-S305 VanDerWaalsContact C-N 3.31Å; Q303-S305 PolarHBondContact O-N 3.01Å; S305-R334 VanDerWaalsContact OG-CD 3.27Å; S305-R334 WeakPolarHBondContact OG-CD 3.38Å; S305-R334 PolarHBondContact OG-NE 2.82Å; S305-R334 VanDerWaalsContact OG-NE 3.09Å; S305-N336 PolarHBondContact O-ND2 3.18Å
306	R	98.2	Very high	97	Very high	142 Å²	142	29.3 Å²	29.3	54%	0.536	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-11.4	179.9	-68	170.7	-172.2	-77	1.1	114.1	D302 Q303 V304 S308	D302-R306 WeakPolarHBondContact O-CG 3.16Å; D302-R306 PolarHBondContact O-N 3.5Å; D302-R306 IonicContact OD1-CZ 3.56Å; D302-R306 IonicContact OD1-NE 3.33Å; D302-R306 PolarHBondContact OD1-NE 3.44Å; D302-R306 IonicContact OD1-NH2 3.16Å; D302-R306 PolarHBondContact OD1-NH2 3.49Å; D302-R306 VanDerWaalsContact OD1-NH2 3.16Å; D302-R306 IonicContact OD2-CZ 3.39Å; D302-R306 IonicContact OD2-NE 2.89Å; D302-R306 PolarHBondContact OD2-NE 2.78Å; D302-R306 IonicContact OD2-NH2 2.97Å; D302-R306 PolarHBondContact OD2-NH2 3.49Å; Q303-R306 PolarHBondContact O-N 2.68Å; V304-R306 PolarHBondContact O-N 3.17Å; R306-S308 VanDerWaalsContact C-N 3.3Å; R306-S308 PolarHBondContact O-N 3.27Å
307	I	98.1	Very high	97.1	Very high	28 Å²	28	29.8 Å²	29.8	14%	0.144	15%	0.151	C	C	.	.	S	Bend	trans	-56.1	-47.5	178.6	-69.3	174	0	0	0	110.6	L237 A240 F244 V304 L311	L237-I307 HydrophobicContact CD2-CD1 4.23Å; A240-I307 HydrophobicContact CB-CD1 3.26Å; F244-I307 HydrophobicContact CB-CG2 4.26Å; F244-I307 HydrophobicContact CD1-CG2 4.49Å; F244-I307 HydrophobicContact CG-CG2 4.4Å; V304-I307 HydrophobicContact CG1-CD1 4.33Å; V304-I307 WeakPolarHBondContact O-CB 3.19Å; V304-I307 WeakPolarHBondContact O-CG1 3.39Å; V304-I307 PolarHBondContact O-N 2.89Å; I307-L311 HydrophobicContact CB-CD2 4.16Å; I307-L311 HydrophobicContact CD1-CD2 4.45Å; I307-L311 HydrophobicContact CG2-CD2 3.87Å
308	S	97.4	Very high	97.1	Very high	15 Å²	15	29.8 Å²	29.8	11%	0.105	15%	0.151	C	C	.	.			trans	-164.6	140.7	172.9	-175.4	0	0	0	0	111.2	F244 R306 E310 L311 N336	F244-S308 WeakPolarHBondContact CZ-OG 3.44Å; R306-S308 VanDerWaalsContact C-N 3.3Å; R306-S308 PolarHBondContact O-N 3.27Å; S308-E310 PolarHBondContact O-N 3.16Å; S308-E310 VanDerWaalsContact O-N 3.16Å; S308-E310 PolarHBondContact OG-N 2.72Å; S308-E310 VanDerWaalsContact OG-N 3.13Å; S308-L311 PolarHBondContact O-N 3.41Å; S308-L311 VanDerWaalsContact O-N 3.14Å; S308-N336 PolarHBondContact O-ND2 2.83Å
309	P	94.7	Very high	97.2	Very high	86 Å²	86	27.4 Å²	27.4	56%	0.558	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.6	168	28	-35.6	0	0	0	112.8	N336	P309-N336 WeakPolarHBondContact O-CB 3.07Å
310	E	96.2	Very high	97.2	Very high	34 Å²	34	24.9 Å²	24.9	16%	0.159	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.7	178.7	-62.8	-51.8	130	0	0	114.1	F244 S308 Y517 T539 L540 G541	F244-E310 HydrophobicContact CE2-CB 4.18Å; F244-E310 HydrophobicContact CZ-CB 4.34Å; S308-E310 PolarHBondContact O-N 3.16Å; S308-E310 VanDerWaalsContact O-N 3.16Å; S308-E310 PolarHBondContact OG-N 2.72Å; S308-E310 VanDerWaalsContact OG-N 3.13Å; E310-Y517 WeakPolarHBondContact O-CE2 3.22Å; E310-Y517 PolarHBondContact O-OH 2.99Å; E310-T539 WeakPolarHBondContact OE1-CB 3.34Å; E310-T539 VanDerWaalsContact OE2-CB 3.25Å; E310-T539 WeakPolarHBondContact OE2-CB 3.35Å; E310-L540 PolarHBondContact OE2-N 2.88Å; E310-G541 PolarHBondContact OE1-N 2.86Å
311	L	98	Very high	97	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-90.8	105.7	176.6	-179.3	61.6	0	0	0	109.5	F244 V248 I251 I307 S308 N336	F244-L311 HydrophobicContact CB-CD2 4.43Å; F244-L311 HydrophobicContact CD2-CB 3.87Å; F244-L311 HydrophobicContact CD2-CD1 4.15Å; F244-L311 HydrophobicContact CD2-CG 4.42Å; F244-L311 HydrophobicContact CE2-CB 4.16Å; V248-L311 HydrophobicContact CG1-CD1 4.42Å; I251-L311 HydrophobicContact CD1-CD2 3.8Å; I251-L311 HydrophobicContact CD1-CG 4.34Å; I251-L311 HydrophobicContact CG1-CD1 4.1Å; I251-L311 HydrophobicContact CG1-CD2 4.09Å; I251-L311 HydrophobicContact CG1-CG 4.1Å; I251-L311 HydrophobicContact CG2-CD1 4.19Å; I307-L311 HydrophobicContact CB-CD2 4.16Å; I307-L311 HydrophobicContact CD1-CD2 4.45Å; I307-L311 HydrophobicContact CG2-CD2 3.87Å; S308-L311 PolarHBondContact O-N 3.41Å; S308-L311 VanDerWaalsContact O-N 3.14Å; L311-N336 WeakPolarHBondContact O-CB 3.46Å; L311-N336 PolarHBondContact O-ND2 3.31Å
312	R	98.4	Very high	96.7	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	137.3	174.5	-177	-176.5	-77.9	-179.1	-5.1	110.9	K249 E250 I251 N336 C338 I466 R483 Y517 L540	K249-R312 PolarHBondContact O-N 3.45Å; E250-R312 CarbonylContact C-O 3.59Å; E250-R312 VanDerWaalsContact CA-O 3.24Å; E250-R312 WeakPolarHBondContact CA-O 3.41Å; E250-R312 HydrophobicContact CB-CB 4.14Å; E250-R312 HydrophobicContact CG-CB 4.05Å; E250-R312 HydrophobicContact CG-CG 4.02Å; E250-R312 WeakPolarHBondContact OE2-CD 3.47Å; E250-R312 IonicContact OE2-NH1 3.58Å; I251-R312 PolarHBondContact N-O 2.98Å; R312-N336 CarbonylContact C-O 3.46Å; R312-N336 WeakPolarHBondContact CA-O 3.17Å; R312-C338 VanDerWaalsContact CD-SG 3.55Å; R312-C338 WeakPolarHBondContact CG-SG 3.37Å; R312-I466 PolarHBondContact NH2-O 2.94Å; R312-I466 VanDerWaalsContact NH2-O 3.13Å; R312-R483 PolarHBondContact NH1-O 3.06Å; R312-Y517 WeakPolarHBondContact CB-OH 3.46Å; R312-L540 HydrophobicContact CB-CD2 4.03Å
313	I	98.7	Very high	96.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.9	-175.2	-62.9	156.5	0	0	0	110	I251 L253 L301 V304 N336 I337 C338	I251-I313 HydrophobicContact CD1-CG1 4.19Å; I251-I313 HydrophobicContact CG1-CG1 4Å; I251-I313 WeakPolarHBondContact O-CA 2.92Å; L253-I313 HydrophobicContact CD1-CG2 4.4Å; L253-I313 HydrophobicContact CG-CG2 4.44Å; L301-I313 HydrophobicContact CD1-CG2 3.84Å; V304-I313 HydrophobicContact CG1-CD1 3.8Å; V304-I313 HydrophobicContact CG1-CG1 4.08Å; I313-N336 PolarHBondContact N-O 3.04Å; I313-I337 HydrophobicContact CB-CG1 4.38Å; I313-I337 HydrophobicContact CD1-CG1 4.37Å; I313-C338 PolarHBondContact O-N 3.4Å
314	R	98.3	Very high	96.1	Very high	11 Å²	11	22 Å²	22	4%	0.042	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	163.9	168.7	-59.7	-175.3	-171.8	-73	-9.4	109.9	E250 I251 T252 L253 C338 N484 D485	E250-R314 HydrophobicContact CG-CG 4.47Å; E250-R314 WeakPolarHBondContact OE1-CD 3.32Å; E250-R314 IonicContact OE1-NE 3.8Å; E250-R314 PolarHBondContact OE1-NE 2.95Å; E250-R314 IonicContact OE2-CZ 3.05Å; E250-R314 VanDerWaalsContact OE2-CZ 3.31Å; E250-R314 IonicContact OE2-NE 2.67Å; E250-R314 PolarHBondContact OE2-NE 3.45Å; E250-R314 IonicContact OE2-NH2 3.45Å; E250-R314 PolarHBondContact OE2-NH2 3.41Å; I251-R314 PolarHBondContact O-N 3.39Å; T252-R314 CarbonylContact C-O 3.49Å; T252-R314 WeakPolarHBondContact CA-O 3.47Å; T252-R314 HydrophobicContact CG2-CB 4.15Å; L253-R314 PolarHBondContact N-O 2.85Å; R314-C338 HydrophobicContact CG-CB 4.16Å; R314-C338 PolarHBondContact NH1-SG 3.42Å; R314-N484 PolarHBondContact NH2-O 3.28Å; R314-D485 PolarHBondContact NH1-O 3.09Å
315	F	98.2	Very high	95.8	Very high	10 Å²	10	27.7 Å²	27.7	4%	0.044	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	157.6	166.2	58.8	-90	0	0	0	109.2	L253 V258 F297 L301 P318 F323 I331	L253-F315 HydrophobicContact CB-CB 3.99Å; L253-F315 WeakPolarHBondContact O-CA 3.44Å; V258-F315 HydrophobicContact CG1-CB 4.16Å; V258-F315 HydrophobicContact CG1-CD2 3.96Å; V258-F315 HydrophobicContact CG1-CG 4.5Å; V258-F315 HydrophobicContact CG2-CB 4.38Å; F297-F315 HydrophobicContact CE1-CD1 4.44Å; F297-F315 HydrophobicContact CE1-CD2 4.38Å; F297-F315 HydrophobicContact CE1-CE1 4.46Å; F297-F315 HydrophobicContact CE1-CE2 4.39Å; F297-F315 HydrophobicContact CE1-CG 4.41Å; F297-F315 HydrophobicContact CE1-CZ 4.44Å; F297-F315 HydrophobicContact CZ-CB 4.05Å; F297-F315 AromaticContact CZ-CD1 3.94Å; F297-F315 HydrophobicContact CZ-CD1 3.94Å; F297-F315 AromaticContact CZ-CD2 3.98Å; F297-F315 HydrophobicContact CZ-CD2 3.98Å; F297-F315 HydrophobicContact CZ-CE1 4.4Å; F297-F315 HydrophobicContact CZ-CE2 4.43Å; F297-F315 AromaticContact CZ-CG 3.72Å; F297-F315 HydrophobicContact CZ-CG 3.72Å; L301-F315 HydrophobicContact CD2-CE1 4.47Å; F315-P318 HydrophobicContact CD2-CB 4.45Å; F315-P318 HydrophobicContact CD2-CG 4.4Å; F315-P318 HydrophobicContact CE2-CB 4.37Å; F315-P318 HydrophobicContact CE2-CG 4.23Å; F315-F323 HydrophobicContact CE2-CE1 4.02Å; F315-F323 HydrophobicContact CE2-CZ 4.01Å; F315-F323 HydrophobicContact CZ-CE1 4.14Å; F315-I331 HydrophobicContact CE1-CD1 4.05Å; F315-I331 HydrophobicContact CE1-CG1 4.48Å; F315-I331 HydrophobicContact CZ-CD1 3.9Å
316	T	94.6	Very high	95.6	Very high	28 Å²	28	31 Å²	31	17%	0.172	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	166.3	178.6	-164.6	0	0	0	0	111.8	T252 L253 L254 V258	T252-T316 HydrophobicContact CG2-CG2 4.33Å; L253-T316 PolarHBondContact O-N 2.77Å; L254-T316 HydrophobicContact CD2-CG2 3.66Å; V258-T316 WeakPolarHBondContact CB-O 3.44Å; V258-T316 WeakPolarHBondContact CG1-O 3.38Å
317	S	93.4	Very high	95.4	Very high	44 Å²	44	24.3 Å²	24.3	31%	0.308	13%	0.131	S	C	.	.	S	Bend	trans	57	44.5	-171.4	-51.3	0	0	0	0	114.6	G255 N257 V258	G255-S317 WeakPolarHBondContact O-CB 3.46Å; N257-S317 CarbonylContact C-O 3.52Å; N257-S317 VanDerWaalsContact CA-O 3.28Å; N257-S317 WeakPolarHBondContact CA-O 3.22Å; V258-S317 PolarHBondContact N-O 3.09Å; V258-S317 VanDerWaalsContact N-O 3.09Å
318	P	96.5	Very high	95.4	Very high	4 Å²	4	23 Å²	23	3%	0.026	12%	0.124	C	C	.	.			trans	-79.1	159	169.2	38.1	-37.6	0	0	0	111	V258 N259 F315 F323 H342 P344	V258-P318 HydrophobicContact CG1-CB 3.96Å; N259-P318 HydrophobicContact CB-CB 4.08Å; N259-P318 WeakPolarHBondContact ND2-CB 3.42Å; N259-P318 WeakPolarHBondContact OD1-CA 3.29Å; N259-P318 VanDerWaalsContact OD1-CB 3.31Å; N259-P318 WeakPolarHBondContact OD1-CB 3.19Å; F315-P318 HydrophobicContact CD2-CB 4.45Å; F315-P318 HydrophobicContact CD2-CG 4.4Å; F315-P318 HydrophobicContact CE2-CB 4.37Å; F315-P318 HydrophobicContact CE2-CG 4.23Å; P318-F323 HydrophobicContact CB-CE2 3.75Å; P318-F323 HydrophobicContact CB-CZ 3.6Å; P318-F323 HydrophobicContact CG-CE2 3.88Å; P318-F323 HydrophobicContact CG-CZ 3.64Å; P318-H342 WeakPolarHBondContact CD-O 3.4Å; P318-H342 WeakPolarHBondContact CG-O 3.26Å; P318-P344 WeakPolarHBondContact O-CD 3.48Å
319	H	95.7	Very high	95.4	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.056	14%	0.143	C	C	.	.			trans	-98.4	134.1	168.6	-164.8	-77.5	0	0	0	110.6	N214 N257 N259 K321 D322 R358	N214-H319 PolarHBondContact ND2-CD2 2.79Å; N214-H319 VanDerWaalsContact ND2-CD2 3.31Å; N257-H319 WeakPolarHBondContact OD1-CB 3.42Å; N257-H319 PolarHBondContact OD1-N 3.02Å; N259-H319 PolarHBondContact ND2-O 3.36Å; N259-H319 PolarHBondContact OD1-N 2.97Å; H319-K321 HydrophobicContact CB-CG 4.48Å; H319-K321 WeakPolarHBondContact ND1-CB 3.41Å; H319-K321 VanDerWaalsContact ND1-CD 3.34Å; H319-K321 WeakPolarHBondContact ND1-CD 3.34Å; H319-K321 WeakPolarHBondContact ND1-CG 3.43Å; H319-K321 PolarHBondContact ND1-N 3.17Å; H319-K321 PolarHBondContact O-N 3.05Å; H319-D322 PolarHBondContact O-N 3.47Å; H319-D322 VanDerWaalsContact O-N 3.13Å; H319-R358 PolarHBondContact CD2-NH1 2.93Å; H319-R358 VanDerWaalsContact CD2-NH1 3.34Å; H319-R358 PolarHBondContact NE2-NH1 3.06Å
320	P	96.5	Very high	95.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-53.8	-27.5	-178.5	-30.5	36.5	0	0	0	115.6	V281 F284 D322 L343 P344 Y365 L368	V281-P320 WeakPolarHBondContact CG2-O 3.1Å; F284-P320 HydrophobicContact CE1-CB 3.73Å; F284-P320 HydrophobicContact CZ-CB 4.18Å; P320-D322 VanDerWaalsContact C-N 3.29Å; P320-D322 PolarHBondContact O-N 3.27Å; P320-L343 HydrophobicContact CB-CD1 3.8Å; P320-L343 HydrophobicContact CB-CG 4.44Å; P320-L343 HydrophobicContact CG-CD1 3.88Å; P320-L343 HydrophobicContact CG-CG 4.22Å; P320-P344 WeakPolarHBondContact CG-O 3.47Å; P320-Y365 HydrophobicContact CB-CD2 4.49Å; P320-Y365 HydrophobicContact CB-CE2 4.42Å; P320-Y365 HydrophobicContact CG-CE2 4.12Å; P320-L368 HydrophobicContact CB-CD2 3.94Å; P320-L368 WeakPolarHBondContact O-CD2 3.48Å
321	K	93.2	Very high	95.5	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.009	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-68.9	-21.9	-177.7	82.9	-167.6	-171.5	-55.4	0	114.7	N214 L280 V281 F284 Y288 H319	N214-K321 WeakPolarHBondContact OD1-CE 3.27Å; N214-K321 PolarHBondContact OD1-NZ 3.44Å; L280-K321 HydrophobicContact CD2-CB 4.29Å; L280-K321 HydrophobicContact CD2-CD 4.31Å; L280-K321 HydrophobicContact CD2-CG 4.12Å; V281-K321 PolarHBondContact N-O 3.48Å; V281-K321 VanDerWaalsContact N-O 3.13Å; F284-K321 HydrophobicContact CB-CB 4.07Å; F284-K321 HydrophobicContact CD1-CB 3.59Å; F284-K321 HydrophobicContact CE1-CB 4.44Å; F284-K321 HydrophobicContact CG-CB 4.14Å; Y288-K321 VanDerWaalsContact CE1-CE 3.42Å; Y288-K321 VanDerWaalsContact CZ-CE 3.48Å; Y288-K321 WeakPolarHBondContact OH-CE 3.33Å; Y288-K321 PolarHBondContact OH-NZ 2.79Å; H319-K321 HydrophobicContact CB-CG 4.48Å; H319-K321 WeakPolarHBondContact ND1-CB 3.41Å; H319-K321 VanDerWaalsContact ND1-CD 3.34Å; H319-K321 WeakPolarHBondContact ND1-CD 3.34Å; H319-K321 WeakPolarHBondContact ND1-CG 3.43Å; H319-K321 PolarHBondContact ND1-N 3.17Å; H319-K321 PolarHBondContact O-N 3.05Å
322	D	91.5	Very high	95.4	Very high	10 Å²	10	25.5 Å²	25.5	5%	0.053	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-109.6	46.2	-175.9	-50.3	-53.2	0	0	0	111	N259 S260 H319 P320 P324	N259-D322 HydrophobicContact CB-CB 4.37Å; N259-D322 PolarHBondContact ND2-O 3.31Å; S260-D322 PolarHBondContact OG-OD2 3.08Å; H319-D322 PolarHBondContact O-N 3.47Å; H319-D322 VanDerWaalsContact O-N 3.13Å; P320-D322 VanDerWaalsContact C-N 3.29Å; P320-D322 PolarHBondContact O-N 3.27Å; D322-P324 WeakPolarHBondContact O-CD 3.37Å
323	F	92.9	Very high	95.2	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.022	16%	0.16	C	C	.	.			trans	-116.3	71.4	171.1	-81.3	-75.1	0	0	0	110.7	V281 F315 P318 V327 L328 I341 L343 L368	V281-F323 HydrophobicContact CG2-CB 4.25Å; V281-F323 WeakPolarHBondContact CG2-O 3.29Å; F315-F323 HydrophobicContact CE2-CE1 4.02Å; F315-F323 HydrophobicContact CE2-CZ 4.01Å; F315-F323 HydrophobicContact CZ-CE1 4.14Å; P318-F323 HydrophobicContact CB-CE2 3.75Å; P318-F323 HydrophobicContact CB-CZ 3.6Å; P318-F323 HydrophobicContact CG-CE2 3.88Å; P318-F323 HydrophobicContact CG-CZ 3.64Å; F323-V327 HydrophobicContact CD1-CG1 4.38Å; F323-L328 HydrophobicContact CD1-CD2 4.01Å; F323-I341 HydrophobicContact CE1-CG2 3.92Å; F323-I341 HydrophobicContact CE2-CG2 4.26Å; F323-I341 HydrophobicContact CZ-CG2 3.58Å; F323-L343 HydrophobicContact CD2-CD1 3.83Å; F323-L343 HydrophobicContact CE2-CD1 3.66Å; F323-L368 HydrophobicContact CB-CD1 4.17Å
324	P	90	Very high	95	Very high	25 Å²	25	33.5 Å²	33.5	16%	0.162	17%	0.169	C	C	.	.			trans	-68.5	159.1	174.1	35.6	-38.6	0	0	0	110.4	D322 E326 V327 L328	D322-P324 WeakPolarHBondContact O-CD 3.37Å; P324-E326 VanDerWaalsContact C-N 3.25Å; P324-E326 HydrophobicContact CB-CG 4.47Å; P324-E326 WeakPolarHBondContact CB-OE1 3.48Å; P324-E326 HydrophobicContact CG-CG 4.25Å; P324-E326 WeakPolarHBondContact CG-OE1 3.3Å; P324-E326 PolarHBondContact O-N 3.17Å; P324-V327 HydrophobicContact CG-CB 4.37Å; P324-V327 HydrophobicContact CG-CG2 3.81Å; P324-V327 PolarHBondContact O-N 2.92Å; P324-V327 VanDerWaalsContact O-N 3.11Å; P324-L328 PolarHBondContact O-N 2.92Å
325	K	93	Very high	94.7	Very high	119 Å²	119	38.4 Å²	38.4	52%	0.517	19%	0.19	S	C	.	.	H	α-helix	trans	-59.7	-35.8	-172.3	-73.2	-169.8	175.7	-169	0	112.4	V327 L328 Q329 T371 I375	K325-V327 VanDerWaalsContact C-N 3.28Å; K325-V327 PolarHBondContact O-N 3.25Å; K325-L328 WeakPolarHBondContact O-CB 3.37Å; K325-L328 PolarHBondContact O-N 3.43Å; K325-L328 VanDerWaalsContact O-N 3.1Å; K325-Q329 VanDerWaalsContact O-CG 3.31Å; K325-Q329 WeakPolarHBondContact O-CG 3.49Å; K325-Q329 PolarHBondContact O-N 3.35Å; K325-T371 HydrophobicContact CG-CG2 4.43Å; K325-I375 HydrophobicContact CB-CD1 4.32Å; K325-I375 HydrophobicContact CD-CD1 4.46Å; K325-I375 HydrophobicContact CG-CD1 4.14Å
326	E	93.3	Very high	94.7	Very high	75 Å²	75	38.4 Å²	38.4	35%	0.35	19%	0.191	S	C	.	.	H	α-helix	trans	-61.2	-34.4	178.8	59.7	-88.5	-162.6	0	0	113	F298 P324 L330	F298-E326 HydrophobicContact CB-CG 4.43Å; F298-E326 HydrophobicContact CD2-CB 3.86Å; F298-E326 HydrophobicContact CD2-CG 3.82Å; F298-E326 WeakPolarHBondContact CD2-O 3.44Å; F298-E326 HydrophobicContact CE2-CB 3.91Å; F298-E326 HydrophobicContact CE2-CG 4.34Å; F298-E326 WeakPolarHBondContact CE2-O 3.35Å; F298-E326 HydrophobicContact CG-CG 4.18Å; P324-E326 VanDerWaalsContact C-N 3.25Å; P324-E326 HydrophobicContact CB-CG 4.47Å; P324-E326 WeakPolarHBondContact CB-OE1 3.48Å; P324-E326 HydrophobicContact CG-CG 4.25Å; P324-E326 WeakPolarHBondContact CG-OE1 3.3Å; P324-E326 PolarHBondContact O-N 3.17Å; E326-L330 WeakPolarHBondContact O-CB 3.3Å; E326-L330 PolarHBondContact O-N 3.42Å
327	V	95.5	Very high	94.8	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-41.4	174.8	171.9	0	0	0	0	110.3	F297 F298 L301 F323 P324 K325 L330 I331	F297-V327 HydrophobicContact CD1-CG1 4.13Å; F297-V327 HydrophobicContact CD1-CG2 4.38Å; F297-V327 HydrophobicContact CE1-CG1 4.21Å; F298-V327 HydrophobicContact CB-CG2 3.91Å; F298-V327 HydrophobicContact CD2-CG2 4.43Å; L301-V327 HydrophobicContact CD2-CG1 4.41Å; F323-V327 HydrophobicContact CD1-CG1 4.38Å; P324-V327 HydrophobicContact CG-CB 4.37Å; P324-V327 HydrophobicContact CG-CG2 3.81Å; P324-V327 PolarHBondContact O-N 2.92Å; P324-V327 VanDerWaalsContact O-N 3.11Å; K325-V327 VanDerWaalsContact C-N 3.28Å; K325-V327 PolarHBondContact O-N 3.25Å; V327-L330 PolarHBondContact O-N 3.37Å; V327-I331 HydrophobicContact CG1-CD1 4.06Å; V327-I331 VanDerWaalsContact O-CG1 3.27Å; V327-I331 WeakPolarHBondContact O-CG1 3.11Å; V327-I331 PolarHBondContact O-N 2.94Å
328	L	96.8	Very high	95	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-66.9	-40.9	177.8	-58.8	177.5	0	0	0	111.7	F323 P324 K325 L330 I331 C332 I341 T371 I372 I375	F323-L328 HydrophobicContact CD1-CD2 4.01Å; P324-L328 PolarHBondContact O-N 2.92Å; K325-L328 WeakPolarHBondContact O-CB 3.37Å; K325-L328 PolarHBondContact O-N 3.43Å; K325-L328 VanDerWaalsContact O-N 3.1Å; L328-L330 VanDerWaalsContact C-N 3.34Å; L328-I331 HydrophobicContact CD2-CD1 4.5Å; L328-I331 PolarHBondContact O-N 3.18Å; L328-C332 PolarHBondContact O-N 2.86Å; L328-I341 HydrophobicContact CD2-CD1 3.82Å; L328-T371 HydrophobicContact CD1-CG2 4.27Å; L328-I372 HydrophobicContact CD1-CG1 3.68Å; L328-I372 HydrophobicContact CD2-CG1 3.8Å; L328-I372 HydrophobicContact CG-CG1 4.4Å; L328-I375 HydrophobicContact CB-CB 4.29Å; L328-I375 HydrophobicContact CB-CD1 4.03Å; L328-I375 HydrophobicContact CB-CG2 3.87Å; L328-I375 HydrophobicContact CD1-CD1 4.05Å
329	Q	97.1	Very high	95	Very high	110 Å²	110	36.2 Å²	36.2	51%	0.514	18%	0.177	S	C	.	.	H	α-helix	trans	-61.9	-43.3	174.9	-72.6	169.8	-26	0	0	111.2	K325 I331 C332 E333 I375	K325-Q329 VanDerWaalsContact O-CG 3.31Å; K325-Q329 WeakPolarHBondContact O-CG 3.49Å; K325-Q329 PolarHBondContact O-N 3.35Å; Q329-I331 PolarHBondContact O-N 3.06Å; Q329-C332 WeakPolarHBondContact O-CB 3.09Å; Q329-C332 PolarHBondContact O-N 2.86Å; Q329-E333 WeakPolarHBondContact O-CB 3.15Å; Q329-E333 PolarHBondContact O-N 3.33Å; Q329-I375 HydrophobicContact CG-CG2 4.07Å
330	L	97.1	Very high	95.1	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-42.2	176.4	-174.5	68.5	0	0	0	112.1	F298 L301 D302 E326 V327 L328 C332 E333 R334 I337	F298-L330 HydrophobicContact CD2-CB 4.22Å; F298-L330 HydrophobicContact CD2-CD2 3.98Å; F298-L330 HydrophobicContact CE2-CB 3.88Å; F298-L330 HydrophobicContact CE2-CD1 4.4Å; F298-L330 HydrophobicContact CE2-CD2 4Å; F298-L330 HydrophobicContact CE2-CG 4.32Å; L301-L330 HydrophobicContact CB-CD2 3.95Å; L301-L330 HydrophobicContact CD2-CD2 4.09Å; L301-L330 HydrophobicContact CG-CD2 3.9Å; D302-L330 HydrophobicContact CB-CD1 4.22Å; D302-L330 HydrophobicContact CB-CD2 3.89Å; E326-L330 WeakPolarHBondContact O-CB 3.3Å; E326-L330 PolarHBondContact O-N 3.42Å; V327-L330 PolarHBondContact O-N 3.37Å; L328-L330 VanDerWaalsContact C-N 3.34Å; L330-C332 VanDerWaalsContact C-N 3.29Å; L330-C332 PolarHBondContact O-N 3.12Å; L330-E333 PolarHBondContact O-N 3.03Å; L330-R334 HydrophobicContact CD1-CG 3.61Å; L330-R334 HydrophobicContact CG-CG 4.08Å; L330-R334 WeakPolarHBondContact O-CB 3.3Å; L330-R334 WeakPolarHBondContact O-CG 3.23Å; L330-R334 PolarHBondContact O-N 3.4Å; L330-I337 HydrophobicContact CD2-CD1 4.47Å; L330-I337 HydrophobicContact CG-CD1 4.18Å
331	I	96.9	Very high	95.2	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-59.6	-41.6	174.1	-68.1	162.7	0	0	0	110.5	L301 F315 V327 L328 Q329 I337 I341 V376	L301-I331 HydrophobicContact CD2-CG1 4.18Å; F315-I331 HydrophobicContact CE1-CD1 4.05Å; F315-I331 HydrophobicContact CE1-CG1 4.48Å; F315-I331 HydrophobicContact CZ-CD1 3.9Å; V327-I331 HydrophobicContact CG1-CD1 4.06Å; V327-I331 VanDerWaalsContact O-CG1 3.27Å; V327-I331 WeakPolarHBondContact O-CG1 3.11Å; V327-I331 PolarHBondContact O-N 2.94Å; L328-I331 HydrophobicContact CD2-CD1 4.5Å; L328-I331 PolarHBondContact O-N 3.18Å; Q329-I331 PolarHBondContact O-N 3.06Å; I331-I337 HydrophobicContact CB-CG2 4.4Å; I331-I337 HydrophobicContact CG1-CG2 3.94Å; I331-I337 HydrophobicContact CG2-CG2 4.33Å; I331-I341 HydrophobicContact CD1-CD1 4.03Å; I331-I341 HydrophobicContact CD1-CG1 4.42Å; I331-V376 HydrophobicContact CG2-CG2 4.46Å
332	C	95.3	Very high	95.4	Very high	71 Å²	71	36.8 Å²	36.8	48%	0.48	18%	0.18	S	C	.	.	H	α-helix	trans	-67.5	-39.4	176.7	-170.1	0	0	0	0	113	L328 Q329 L330 I375 V376	L328-C332 PolarHBondContact O-N 2.86Å; Q329-C332 WeakPolarHBondContact O-CB 3.09Å; Q329-C332 PolarHBondContact O-N 2.86Å; L330-C332 VanDerWaalsContact C-N 3.29Å; L330-C332 PolarHBondContact O-N 3.12Å; C332-I375 HydrophobicContact CB-CG2 4.48Å; C332-I375 PolarHBondContact SG-O 3.4Å; C332-I375 VanDerWaalsContact SG-O 3.35Å; C332-V376 HydrophobicContact CB-CG2 4.16Å
333	E	94.5	Very high	95.8	Very high	120 Å²	120	36.3 Å²	36.3	56%	0.561	18%	0.177	S	C	*	.	H	α-helix	trans	-73.5	-43.3	-176.2	-175.7	-166.5	141.9	0	0	112.1	Q329 L330 K335	Q329-E333 WeakPolarHBondContact O-CB 3.15Å; Q329-E333 PolarHBondContact O-N 3.33Å; L330-E333 PolarHBondContact O-N 3.03Å; E333-K335 PolarHBondContact O-N 3.28Å
334	R	95	Very high	96	Very high	48 Å²	48	36.4 Å²	36.4	18%	0.181	18%	0.179	C	C	.	.			trans	-89.2	103.7	-171.5	-65.4	-73.4	-174.4	-109.1	-18.4	110.8	D302 S305 L330 N336 I337	D302-R334 IonicContact OD1-CZ 3.52Å; D302-R334 IonicContact OD1-NE 3.47Å; D302-R334 PolarHBondContact OD1-NE 2.87Å; D302-R334 IonicContact OD1-NH2 2.75Å; D302-R334 PolarHBondContact OD1-NH2 3.21Å; S305-R334 VanDerWaalsContact OG-CD 3.27Å; S305-R334 WeakPolarHBondContact OG-CD 3.38Å; S305-R334 PolarHBondContact OG-NE 2.82Å; S305-R334 VanDerWaalsContact OG-NE 3.09Å; L330-R334 HydrophobicContact CD1-CG 3.61Å; L330-R334 HydrophobicContact CG-CG 4.08Å; L330-R334 WeakPolarHBondContact O-CB 3.3Å; L330-R334 WeakPolarHBondContact O-CG 3.23Å; L330-R334 PolarHBondContact O-N 3.4Å; R334-N336 PolarHBondContact O-N 3.39Å; R334-N336 VanDerWaalsContact O-N 3.11Å; R334-I337 HydrophobicContact CB-CB 4.19Å; R334-I337 HydrophobicContact CB-CD1 3.51Å; R334-I337 HydrophobicContact CB-CG1 3.64Å; R334-I337 HydrophobicContact CG-CD1 3.85Å; R334-I337 HydrophobicContact CG-CG1 4.44Å; R334-I337 PolarHBondContact O-N 3.18Å
335	K	92.6	Very high	96.4	Very high	114 Å²	114	35.2 Å²	35.2	50%	0.496	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.5	-177.5	-49.7	-170.7	-171.1	172	0	115.1	E333 C544	E333-K335 PolarHBondContact O-N 3.28Å; K335-C544 HydrophobicContact CB-CB 4.31Å; K335-C544 HydrophobicContact CD-CB 3.3Å; K335-C544 HydrophobicContact CG-CB 4.44Å; K335-C544 PolarHBondContact NZ-O 2.85Å
336	N	97.1	Very high	96.7	Very high	10 Å²	10	30.6 Å²	30.6	5%	0.053	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.1	175.1	65.8	-25.8	0	0	0	113.4	S305 S308 P309 L311 R312 I313 R334 L540	S305-N336 PolarHBondContact O-ND2 3.18Å; S308-N336 PolarHBondContact O-ND2 2.83Å; P309-N336 WeakPolarHBondContact O-CB 3.07Å; L311-N336 WeakPolarHBondContact O-CB 3.46Å; L311-N336 PolarHBondContact O-ND2 3.31Å; R312-N336 CarbonylContact C-O 3.46Å; R312-N336 WeakPolarHBondContact CA-O 3.17Å; I313-N336 PolarHBondContact N-O 3.04Å; R334-N336 PolarHBondContact O-N 3.39Å; R334-N336 VanDerWaalsContact O-N 3.11Å; N336-L540 HydrophobicContact CB-CD2 3.8Å
337	I	97.8	Very high	96.9	Very high	2 Å²	2	27 Å²	27	1%	0.01	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-92.1	126.5	168.2	-57	177.9	0	0	0	108.2	L301 I313 L330 I331 R334	L301-I337 HydrophobicContact CD1-CD1 3.75Å; L301-I337 HydrophobicContact CD1-CG1 4.25Å; L301-I337 HydrophobicContact CD1-CG2 4.38Å; L301-I337 HydrophobicContact CD2-CD1 3.96Å; L301-I337 HydrophobicContact CG-CD1 3.57Å; I313-I337 HydrophobicContact CB-CG1 4.38Å; I313-I337 HydrophobicContact CD1-CG1 4.37Å; L330-I337 HydrophobicContact CD2-CD1 4.47Å; L330-I337 HydrophobicContact CG-CD1 4.18Å; I331-I337 HydrophobicContact CB-CG2 4.4Å; I331-I337 HydrophobicContact CG1-CG2 3.94Å; I331-I337 HydrophobicContact CG2-CG2 4.33Å; R334-I337 HydrophobicContact CB-CB 4.19Å; R334-I337 HydrophobicContact CB-CD1 3.51Å; R334-I337 HydrophobicContact CB-CG1 3.64Å; R334-I337 HydrophobicContact CG-CD1 3.85Å; R334-I337 HydrophobicContact CG-CG1 4.44Å; R334-I337 PolarHBondContact O-N 3.18Å
338	C	97.9	Very high	97.1	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.02	13%	0.134	C	C	.	.			trans	-68	139.6	-176.2	-74.4	0	0	0	0	113.5	R312 I313 R314 N340 D485	R312-C338 VanDerWaalsContact CD-SG 3.55Å; R312-C338 WeakPolarHBondContact CG-SG 3.37Å; I313-C338 PolarHBondContact O-N 3.4Å; R314-C338 HydrophobicContact CG-CB 4.16Å; R314-C338 PolarHBondContact NH1-SG 3.42Å; C338-N340 PolarHBondContact O-N 2.53Å; C338-D485 VanDerWaalsContact CA-OD1 3.25Å; C338-D485 WeakPolarHBondContact CA-OD1 3.31Å; C338-D485 WeakPolarHBondContact CB-O 3.35Å; C338-D485 PolarHBondContact SG-OD1 2.82Å
339	S	95.9	Very high	97.2	Very high	25 Å²	25	26.9 Å²	26.9	18%	0.175	13%	0.134	C	C	.	.	S	Bend	trans	-76.4	47.3	171.1	-52.5	0	0	0	0	111.4	S380 D485	S339-S380 PolarHBondContact O-N 3.26Å; S339-D485 WeakPolarHBondContact CA-OD2 3.41Å; S339-D485 WeakPolarHBondContact CB-OD2 3.35Å; S339-D485 PolarHBondContact N-OD2 3.08Å; S339-D485 PolarHBondContact OG-OD2 2.96Å
340	N	97.8	Very high	97.2	Very high	15 Å²	15	23.8 Å²	23.8	8%	0.08	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	115.9	175.5	-179.7	-124.2	0	0	0	109.9	C338 S380 Y486	C338-N340 PolarHBondContact O-N 2.53Å; N340-S380 WeakPolarHBondContact CA-O 3.24Å; N340-S380 PolarHBondContact ND2-O 3.25Å; N340-Y486 PolarHBondContact ND2-O 3.32Å
341	I	98.2	Very high	97.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.9	178.1	-59.8	179.2	0	0	0	108.5	F323 L328 I331 L343 I372 V379 S380 L381 T382	F323-I341 HydrophobicContact CE1-CG2 3.92Å; F323-I341 HydrophobicContact CE2-CG2 4.26Å; F323-I341 HydrophobicContact CZ-CG2 3.58Å; L328-I341 HydrophobicContact CD2-CD1 3.82Å; I331-I341 HydrophobicContact CD1-CD1 4.03Å; I331-I341 HydrophobicContact CD1-CG1 4.42Å; I341-L343 HydrophobicContact CG2-CB 4.36Å; I341-I372 HydrophobicContact CD1-CG2 3.97Å; I341-V379 HydrophobicContact CB-CG2 4.33Å; I341-V379 HydrophobicContact CD1-CG2 4.03Å; I341-V379 HydrophobicContact CG1-CG2 3.94Å; I341-S380 PolarHBondContact N-O 3.11Å; I341-L381 HydrophobicContact CB-CD2 3.88Å; I341-L381 HydrophobicContact CG2-CD2 4.45Å; I341-L381 WeakPolarHBondContact O-CA 3.39Å; I341-T382 PolarHBondContact O-N 3.44Å
342	H	98.3	Very high	97.4	Very high	11 Å²	11	27.6 Å²	27.6	5%	0.051	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	117.9	165.6	-172.5	59.1	0	0	0	108.7	P318 T382 D384 F413	P318-H342 WeakPolarHBondContact CD-O 3.4Å; P318-H342 WeakPolarHBondContact CG-O 3.26Å; H342-T382 CarbonylContact C-O 3.52Å; H342-T382 WeakPolarHBondContact CA-O 3.36Å; H342-T382 VanDerWaalsContact CA-OG1 3.29Å; H342-T382 WeakPolarHBondContact CA-OG1 3.14Å; H342-T382 WeakPolarHBondContact CB-OG1 3.46Å; H342-T382 PolarHBondContact ND1-OG1 3.13Å; H342-D384 IonicContact CE1-OD1 2.9Å; H342-D384 IonicContact CE1-OD2 2.84Å; H342-D384 IonicContact NE2-OD1 3.04Å; H342-D384 IonicContact NE2-OD2 2.87Å; H342-D384 PolarHBondContact NE2-OD2 3.25Å; H342-F413 AromaticContact CE1-CD2 3.92Å
343	L	98.1	Very high	97.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.			trans	-128	77.7	-172.4	-166.9	69.6	0	0	0	110.4	P320 F323 I341 A345 Y365 L368 V369 I372 T382 S383	P320-L343 HydrophobicContact CB-CD1 3.8Å; P320-L343 HydrophobicContact CB-CG 4.44Å; P320-L343 HydrophobicContact CG-CD1 3.88Å; P320-L343 HydrophobicContact CG-CG 4.22Å; F323-L343 HydrophobicContact CD2-CD1 3.83Å; F323-L343 HydrophobicContact CE2-CD1 3.66Å; I341-L343 HydrophobicContact CG2-CB 4.36Å; L343-A345 PolarHBondContact O-N 3.45Å; L343-Y365 HydrophobicContact CD2-CE1 4.38Å; L343-Y365 HydrophobicContact CD2-CE2 3.99Å; L343-Y365 WeakPolarHBondContact CD2-OH 3.41Å; L343-Y365 HydrophobicContact CG-CE2 3.86Å; L343-Y365 WeakPolarHBondContact CG-OH 3.38Å; L343-Y365 PolarHBondContact O-OH 2.76Å; L343-L368 HydrophobicContact CD1-CD2 4.02Å; L343-L368 HydrophobicContact CD2-CD2 4.44Å; L343-V369 HydrophobicContact CD2-CG2 3.96Å; L343-I372 HydrophobicContact CD1-CD1 4.36Å; L343-I372 HydrophobicContact CD2-CD1 3.82Å; L343-T382 PolarHBondContact N-O 3.25Å; L343-S383 PolarHBondContact O-OG 3.45Å
344	P	98	Very high	97.7	Very high	8 Å²	8	23.1 Å²	23.1	5%	0.052	12%	0.12	C	C	.	.			trans	-59.9	112.1	-172.7	-24.7	34.3	0	0	0	113.3	P318 P320 R358 Y360 D384	P318-P344 WeakPolarHBondContact O-CD 3.48Å; P320-P344 WeakPolarHBondContact CG-O 3.47Å; P344-R358 PolarHBondContact O-NH2 2.97Å; P344-Y360 PolarHBondContact O-OH 3.37Å; P344-D384 HydrophobicContact CB-CB 4.15Å; P344-D384 WeakPolarHBondContact CG-OD2 3.26Å
345	A	98.4	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.			trans	-81.2	-41.7	175.8	0	0	0	0	0	111.4	L343 S347 L353 Y360 Y365 S383 F385 L403	L343-A345 PolarHBondContact O-N 3.45Å; A345-S347 PolarHBondContact O-N 3.44Å; A345-L353 WeakPolarHBondContact O-CD2 3.15Å; A345-Y360 PolarHBondContact O-OH 3.31Å; A345-Y365 HydrophobicContact CB-CE1 4.2Å; A345-Y365 HydrophobicContact CB-CE2 3.88Å; A345-S383 PolarHBondContact N-OG 3.02Å; A345-F385 HydrophobicContact CB-CE1 4.11Å; A345-F385 HydrophobicContact CB-CE2 4.41Å; A345-F385 HydrophobicContact CB-CZ 3.85Å; A345-L403 HydrophobicContact CB-CD2 3.87Å
346	Q	98.4	Very high	98.1	Very high	21 Å²	21	18.6 Å²	18.6	10%	0.098	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	72.1	-40.2	-174.3	-50.4	-66.8	-20.5	0	0	114.1	Y218 M356 D384 I386	Y218-Q346 VanDerWaalsContact OH-CD 3.3Å; Y218-Q346 VanDerWaalsContact OH-CG 3.3Å; Y218-Q346 WeakPolarHBondContact OH-CG 3.4Å; Q346-M356 HydrophobicContact CB-SD 3.76Å; Q346-D384 VanDerWaalsContact CA-O 3.23Å; Q346-D384 WeakPolarHBondContact CA-O 3.29Å; Q346-D384 PolarHBondContact N-O 2.83Å; Q346-I386 PolarHBondContact O-N 3.43Å
347	S	98.8	Very high	98.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.			trans	-153	156.3	173.8	-179.3	0	0	0	0	110.7	A345 S349 S400	A345-S347 PolarHBondContact O-N 3.44Å; S347-S349 PolarHBondContact OG-N 2.89Å; S347-S349 VanDerWaalsContact OG-N 3.08Å; S347-S400 PolarHBondContact OG-OG 3.17Å
348	G	98.7	Very high	98.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-88.4	-10.6	167.2	0	0	0	0	0	114.5	R362 S400	G348-R362 WeakPolarHBondContact O-CB 3.34Å; G348-R362 WeakPolarHBondContact O-CD 3.26Å; G348-R362 WeakPolarHBondContact O-CG 3.21Å; G348-S400 PolarHBondContact N-OG 2.95Å
349	S	98.8	Very high	98	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	13%	0.126	C	C	.	.			trans	-92.5	127.8	-179.8	168.9	0	0	0	0	112.3	S347 V351 V352 L353 D396	S347-S349 PolarHBondContact OG-N 2.89Å; S347-S349 VanDerWaalsContact OG-N 3.08Å; S349-V351 PolarHBondContact O-N 3.03Å; S349-V351 PolarHBondContact OG-N 3.17Å; S349-V352 PolarHBondContact O-N 3.41Å; S349-V352 PolarHBondContact OG-N 3.45Å; S349-L353 WeakPolarHBondContact O-CB 3.41Å; S349-L353 WeakPolarHBondContact O-CG 3.47Å; S349-L353 PolarHBondContact O-N 3.45Å; S349-D396 WeakPolarHBondContact CB-OD1 3.25Å; S349-D396 PolarHBondContact OG-OD1 3.18Å
350	S	98.8	Very high	98	Very high	44 Å²	44	23.2 Å²	23.2	31%	0.308	12%	0.119	S	C	.	.	H	α-helix	trans	-62	-31	174.3	-59.7	0	0	0	0	112.8	E354 R362	S350-E354 PolarHBondContact O-N 3.31Å; S350-R362 PolarHBondContact OG-N 3.05Å
351	V	98.7	Very high	98.1	Very high	87 Å²	87	25.6 Å²	25.6	53%	0.527	13%	0.134	S	C	.	.	H	α-helix	trans	-66.5	-48.7	176.8	176.7	0	0	0	0	109.8	S349 E354 N355	S349-V351 PolarHBondContact O-N 3.03Å; S349-V351 PolarHBondContact OG-N 3.17Å; V351-E354 PolarHBondContact O-N 3Å; V351-N355 PolarHBondContact O-N 2.9Å
352	V	98.8	Very high	98.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-42	177.2	177.4	0	0	0	0	111.2	S349 E354 N355 M356 F389 E392 D396	S349-V352 PolarHBondContact O-N 3.41Å; S349-V352 PolarHBondContact OG-N 3.45Å; V352-E354 VanDerWaalsContact C-N 3.31Å; V352-E354 PolarHBondContact O-N 3.28Å; V352-N355 CarbonylContact O-C 3.48Å; V352-N355 PolarHBondContact O-N 3Å; V352-M356 HydrophobicContact CG1-CE 3.62Å; V352-M356 HydrophobicContact CG1-CG 4.3Å; V352-M356 HydrophobicContact CG1-SD 4.17Å; V352-M356 WeakPolarHBondContact O-CB 3.28Å; V352-M356 VanDerWaalsContact O-CG 3.29Å; V352-M356 WeakPolarHBondContact O-CG 3.42Å; V352-M356 PolarHBondContact O-N 3.22Å; V352-F389 HydrophobicContact CG1-CB 4.17Å; V352-F389 HydrophobicContact CG1-CD1 4.09Å; V352-E392 HydrophobicContact CG2-CB 4.21Å; V352-E392 HydrophobicContact CG2-CG 4.06Å; V352-D396 HydrophobicContact CG2-CB 3.7Å
353	L	98.7	Very high	98.1	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-38.5	177.1	-70.5	171.2	0	0	0	112.4	A345 S349 M356 R357 R358 Y360	A345-L353 WeakPolarHBondContact O-CD2 3.15Å; S349-L353 WeakPolarHBondContact O-CB 3.41Å; S349-L353 WeakPolarHBondContact O-CG 3.47Å; S349-L353 PolarHBondContact O-N 3.45Å; L353-M356 PolarHBondContact O-N 2.88Å; L353-R357 PolarHBondContact O-N 3.17Å; L353-R358 HydrophobicContact CB-CB 4.27Å; L353-R358 HydrophobicContact CB-CG 4.38Å; L353-R358 HydrophobicContact CD2-CB 4.08Å; L353-R358 HydrophobicContact CD2-CG 3.68Å; L353-R358 WeakPolarHBondContact O-CB 3.42Å; L353-R358 PolarHBondContact O-N 3.05Å; L353-Y360 HydrophobicContact CD1-CD2 4.18Å; L353-Y360 HydrophobicContact CD1-CE2 3.93Å; L353-Y360 HydrophobicContact CD2-CE2 3.97Å
354	E	97.9	Very high	98.1	Very high	96 Å²	96	32 Å²	32	45%	0.449	16%	0.163	S	C	.	.	H	α-helix	trans	-67.4	-45.5	174	-172.4	66.2	-161.9	0	0	111	K285 S350 V351 V352 M356 R357	K285-E354 WeakPolarHBondContact CE-OE2 3.35Å; K285-E354 VanDerWaalsContact NZ-CD 3.27Å; K285-E354 IonicContact NZ-OE1 3.09Å; K285-E354 PolarHBondContact NZ-OE1 3.18Å; K285-E354 IonicContact NZ-OE2 3.67Å; K285-E354 PolarHBondContact NZ-OE2 2.92Å; S350-E354 PolarHBondContact O-N 3.31Å; V351-E354 PolarHBondContact O-N 3Å; V352-E354 VanDerWaalsContact C-N 3.31Å; V352-E354 PolarHBondContact O-N 3.28Å; E354-M356 PolarHBondContact O-N 3.03Å; E354-R357 WeakPolarHBondContact O-CA 3.44Å; E354-R357 PolarHBondContact O-N 3.39Å
355	N	97.8	Very high	98.2	Very high	66 Å²	66	31.7 Å²	31.7	35%	0.353	16%	0.161	S	C	.	.	H	α-helix	trans	-61.6	-29.8	174.8	-68.5	-15.1	0	0	0	112.5	T217 V351 V352 R357 F389	T217-N355 WeakPolarHBondContact CG2-O 3.44Å; T217-N355 PolarHBondContact OG1-O 3.34Å; V351-N355 PolarHBondContact O-N 2.9Å; V352-N355 CarbonylContact O-C 3.48Å; V352-N355 PolarHBondContact O-N 3Å; N355-R357 VanDerWaalsContact C-N 3.28Å; N355-F389 HydrophobicContact CB-CD1 4.44Å; N355-F389 HydrophobicContact CB-CE1 3.89Å
356	M	98.1	Very high	98.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-12	172.8	-77.4	-174.1	-178.7	0	0	113.6	C216 T217 Y218 Q346 V352 L353 E354 R358 I386 F389	C216-M356 WeakPolarHBondContact CA-O 3.26Å; T217-M356 PolarHBondContact N-O 3.01Å; T217-M356 VanDerWaalsContact OG1-CA 3.27Å; T217-M356 WeakPolarHBondContact OG1-CA 3.34Å; T217-M356 PolarHBondContact OG1-O 2.81Å; Y218-M356 HydrophobicContact CD1-CB 4.18Å; Y218-M356 HydrophobicContact CD1-CG 3.9Å; Y218-M356 HydrophobicContact CD1-SD 4.4Å; Y218-M356 HydrophobicContact CE1-CB 3.9Å; Y218-M356 HydrophobicContact CE1-CG 3.8Å; Y218-M356 HydrophobicContact CE1-SD 3.86Å; Q346-M356 HydrophobicContact CB-SD 3.76Å; V352-M356 HydrophobicContact CG1-CE 3.62Å; V352-M356 HydrophobicContact CG1-CG 4.3Å; V352-M356 HydrophobicContact CG1-SD 4.17Å; V352-M356 WeakPolarHBondContact O-CB 3.28Å; V352-M356 VanDerWaalsContact O-CG 3.29Å; V352-M356 WeakPolarHBondContact O-CG 3.42Å; V352-M356 PolarHBondContact O-N 3.22Å; L353-M356 PolarHBondContact O-N 2.88Å; E354-M356 PolarHBondContact O-N 3.03Å; M356-R358 HydrophobicContact CB-CG 3.73Å; M356-I386 HydrophobicContact CE-CB 3.98Å; M356-I386 HydrophobicContact CE-CD1 4.35Å; M356-I386 HydrophobicContact CE-CG2 4.2Å; M356-F389 HydrophobicContact CE-CB 3.53Å; M356-F389 HydrophobicContact CE-CD1 4Å; M356-F389 HydrophobicContact CE-CD2 4.13Å; M356-F389 HydrophobicContact CE-CG 3.59Å; M356-F389 HydrophobicContact CG-CD1 3.7Å; M356-F389 HydrophobicContact CG-CD2 4.45Å; M356-F389 HydrophobicContact CG-CE1 3.7Å; M356-F389 HydrophobicContact CG-CG 4.08Å; M356-F389 HydrophobicContact CG-CZ 4.13Å
357	R	96.9	Very high	98.2	Very high	113 Å²	113	35.2 Å²	35.2	43%	0.426	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	45.1	-169.1	-68.9	176.3	-176.1	-180	-5.1	113.3	T217 L353 E354 N355 G359	T217-R357 HydrophobicContact CG2-CB 4.01Å; T217-R357 VanDerWaalsContact CG2-CD 3.42Å; T217-R357 HydrophobicContact CG2-CG 3.51Å; L353-R357 PolarHBondContact O-N 3.17Å; E354-R357 WeakPolarHBondContact O-CA 3.44Å; E354-R357 PolarHBondContact O-N 3.39Å; N355-R357 VanDerWaalsContact C-N 3.28Å; R357-G359 VanDerWaalsContact C-N 3.3Å
358	R	96.5	Very high	98.2	Very high	11 Å²	11	35.5 Å²	35.5	4%	0.042	18%	0.179	C	C	.	.			trans	-72.9	-25.8	178.3	-67.6	-69.1	-64.6	139.1	-2.3	113.1	H319 P344 L353 M356 Y360	H319-R358 PolarHBondContact CD2-NH1 2.93Å; H319-R358 VanDerWaalsContact CD2-NH1 3.34Å; H319-R358 PolarHBondContact NE2-NH1 3.06Å; P344-R358 PolarHBondContact O-NH2 2.97Å; L353-R358 HydrophobicContact CB-CB 4.27Å; L353-R358 HydrophobicContact CB-CG 4.38Å; L353-R358 HydrophobicContact CD2-CB 4.08Å; L353-R358 HydrophobicContact CD2-CG 3.68Å; L353-R358 WeakPolarHBondContact O-CB 3.42Å; L353-R358 PolarHBondContact O-N 3.05Å; M356-R358 HydrophobicContact CB-CG 3.73Å; R358-Y360 HydrophobicContact CB-CD1 3.99Å; R358-Y360 HydrophobicContact CB-CE1 3.62Å; R358-Y360 HydrophobicContact CB-CE2 4.44Å; R358-Y360 HydrophobicContact CG-CE1 4.49Å; R358-Y360 PolarHBondContact NE-OH 2.74Å; R358-Y360 PolarHBondContact NH2-OH 3.35Å; R358-Y360 WeakPolarHBondContact O-CD1 3.32Å; R358-Y360 WeakPolarHBondContact O-CE1 3.5Å
359	G	95.7	Very high	98.2	Very high	7 Å²	7	35.6 Å²	35.6	7%	0.072	18%	0.18	C	C	.	.	S	Bend	trans	77	27.4	178.1	0	0	0	0	0	113.6	F284 K285 R357	F284-G359 CarbonylContact C-O 3.57Å; F284-G359 VanDerWaalsContact CA-O 3.28Å; F284-G359 WeakPolarHBondContact CA-O 3.12Å; K285-G359 WeakPolarHBondContact CG-O 3.48Å; K285-G359 PolarHBondContact N-O 2.71Å; K285-G359 WeakPolarHBondContact O-CA 3.48Å; R357-G359 VanDerWaalsContact C-N 3.3Å
360	Y	97.6	Very high	98.1	Very high	6 Å²	6	39.8 Å²	39.8	2%	0.024	20%	0.202	C	C	.	.	S	Bend	trans	-160.4	161.4	174.1	56.7	-95.5	0	0	0	110.2	F284 P344 A345 L353 R358 Y365	F284-Y360 VanDerWaalsContact CD1-CB 3.44Å; F284-Y360 AromaticContact CD1-CD1 3.36Å; F284-Y360 HydrophobicContact CD1-CD1 3.36Å; F284-Y360 HydrophobicContact CD1-CE1 4.28Å; F284-Y360 AromaticContact CD1-CG 3.62Å; F284-Y360 HydrophobicContact CD1-CG 3.62Å; F284-Y360 VanDerWaalsContact CE1-CB 3.46Å; F284-Y360 AromaticContact CE1-CD1 3.12Å; F284-Y360 HydrophobicContact CE1-CD1 3.12Å; F284-Y360 AromaticContact CE1-CD2 3.99Å; F284-Y360 HydrophobicContact CE1-CD2 3.99Å; F284-Y360 AromaticContact CE1-CE1 3.76Å; F284-Y360 HydrophobicContact CE1-CE1 3.76Å; F284-Y360 AromaticContact CE1-CG 3.24Å; F284-Y360 HydrophobicContact CE1-CG 3.24Å; F284-Y360 HydrophobicContact CG-CD1 4.49Å; F284-Y360 HydrophobicContact CG-CG 4.45Å; F284-Y360 HydrophobicContact CZ-CD1 4.14Å; F284-Y360 HydrophobicContact CZ-CD2 4.24Å; F284-Y360 AromaticContact CZ-CG 3.82Å; F284-Y360 HydrophobicContact CZ-CG 3.82Å; P344-Y360 PolarHBondContact O-OH 3.37Å; A345-Y360 PolarHBondContact O-OH 3.31Å; L353-Y360 HydrophobicContact CD1-CD2 4.18Å; L353-Y360 HydrophobicContact CD1-CE2 3.93Å; L353-Y360 HydrophobicContact CD2-CE2 3.97Å; R358-Y360 HydrophobicContact CB-CD1 3.99Å; R358-Y360 HydrophobicContact CB-CE1 3.62Å; R358-Y360 HydrophobicContact CB-CE2 4.44Å; R358-Y360 HydrophobicContact CG-CE1 4.49Å; R358-Y360 PolarHBondContact NE-OH 2.74Å; R358-Y360 PolarHBondContact NH2-OH 3.35Å; R358-Y360 WeakPolarHBondContact O-CD1 3.32Å; R358-Y360 WeakPolarHBondContact O-CE1 3.5Å; Y360-Y365 HydrophobicContact CD2-CD2 4.36Å; Y360-Y365 AromaticContact CE2-CD2 3.73Å; Y360-Y365 HydrophobicContact CE2-CD2 3.73Å; Y360-Y365 HydrophobicContact CE2-CG 4.27Å
361	T	98.6	Very high	98.1	Very high	65 Å²	65	39.4 Å²	39.4	40%	0.399	20%	0.198	S	C	.	.			trans	-96.8	165.6	175.6	64	0	0	0	0	111	Q363 A364 Y365	T361-Q363 PolarHBondContact O-N 2.8Å; T361-A364 PolarHBondContact O-N 3.27Å; T361-A364 PolarHBondContact OG1-N 2.89Å; T361-Y365 PolarHBondContact O-N 2.65Å
362	R	98.6	Very high	98.1	Very high	33 Å²	33	35.2 Å²	35.2	13%	0.125	17%	0.173	C	C	.	.	H	α-helix	trans	-51.9	-41.5	169.8	-173.4	-166.6	-178.5	-179	-15.3	111.5	G348 S350 Y365 M366 E402 L403	G348-R362 WeakPolarHBondContact O-CB 3.34Å; G348-R362 WeakPolarHBondContact O-CD 3.26Å; G348-R362 WeakPolarHBondContact O-CG 3.21Å; S350-R362 PolarHBondContact OG-N 3.05Å; R362-Y365 PolarHBondContact O-N 3.47Å; R362-M366 WeakPolarHBondContact O-CG 3.27Å; R362-M366 PolarHBondContact O-N 3.11Å; R362-E402 IonicContact CZ-OE1 3.15Å; R362-E402 IonicContact CZ-OE2 3.69Å; R362-E402 IonicContact NH1-OE1 3.11Å; R362-E402 IonicContact NH1-OE2 3.96Å; R362-E402 PolarHBondContact NH1-OE2 3.05Å; R362-E402 IonicContact NH2-OE1 2.76Å; R362-E402 PolarHBondContact NH2-OE1 2.9Å; R362-E402 IonicContact NH2-OE2 3.31Å; R362-E402 PolarHBondContact NH2-OE2 2.67Å; R362-E402 VanDerWaalsContact NH2-OE2 3.09Å; R362-L403 HydrophobicContact CG-CD1 4.35Å
363	Q	98.7	Very high	98	Very high	109 Å²	109	38.7 Å²	38.7	51%	0.509	19%	0.189	S	C	.	.	H	α-helix	trans	-65.5	-49.7	-178.2	-178.5	56.8	33.8	0	0	112	T361 Y365 M366 E367	T361-Q363 PolarHBondContact O-N 2.8Å; Q363-Y365 VanDerWaalsContact C-N 3.26Å; Q363-Y365 PolarHBondContact O-N 3.05Å; Q363-M366 PolarHBondContact O-N 3.47Å; Q363-M366 VanDerWaalsContact O-N 3.1Å; Q363-E367 WeakPolarHBondContact CG-OE1 3.33Å; Q363-E367 PolarHBondContact NE2-OE1 2.9Å; Q363-E367 PolarHBondContact O-N 3.02Å
364	A	98.5	Very high	98	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.033	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-36.6	176.6	0	0	0	0	0	112	F284 T361 E367 L368	F284-A364 HydrophobicContact CD2-CB 4.38Å; F284-A364 HydrophobicContact CE2-CB 4.08Å; T361-A364 PolarHBondContact O-N 3.27Å; T361-A364 PolarHBondContact OG1-N 2.89Å; A364-E367 PolarHBondContact O-N 3Å; A364-L368 PolarHBondContact O-N 3.06Å; A364-L368 VanDerWaalsContact O-N 3.09Å
365	Y	98.7	Very high	98	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-44	173.3	-176.1	-83.2	0	0	0	112	P320 L343 A345 Y360 T361 R362 Q363 E367 L368 V369 L403 Y409	P320-Y365 HydrophobicContact CB-CD2 4.49Å; P320-Y365 HydrophobicContact CB-CE2 4.42Å; P320-Y365 HydrophobicContact CG-CE2 4.12Å; L343-Y365 HydrophobicContact CD2-CE1 4.38Å; L343-Y365 HydrophobicContact CD2-CE2 3.99Å; L343-Y365 WeakPolarHBondContact CD2-OH 3.41Å; L343-Y365 HydrophobicContact CG-CE2 3.86Å; L343-Y365 WeakPolarHBondContact CG-OH 3.38Å; L343-Y365 PolarHBondContact O-OH 2.76Å; A345-Y365 HydrophobicContact CB-CE1 4.2Å; A345-Y365 HydrophobicContact CB-CE2 3.88Å; Y360-Y365 HydrophobicContact CD2-CD2 4.36Å; Y360-Y365 AromaticContact CE2-CD2 3.73Å; Y360-Y365 HydrophobicContact CE2-CD2 3.73Å; Y360-Y365 HydrophobicContact CE2-CG 4.27Å; T361-Y365 PolarHBondContact O-N 2.65Å; R362-Y365 PolarHBondContact O-N 3.47Å; Q363-Y365 VanDerWaalsContact C-N 3.26Å; Q363-Y365 PolarHBondContact O-N 3.05Å; Y365-E367 VanDerWaalsContact C-N 3.34Å; Y365-E367 PolarHBondContact O-N 2.61Å; Y365-L368 WeakPolarHBondContact O-CB 3.43Å; Y365-L368 PolarHBondContact O-N 3.25Å; Y365-V369 HydrophobicContact CD1-CG2 3.94Å; Y365-V369 HydrophobicContact CE1-CG2 3.53Å; Y365-V369 WeakPolarHBondContact O-CG2 3.45Å; Y365-V369 PolarHBondContact O-N 3.48Å; Y365-L403 HydrophobicContact CD1-CD1 4.36Å; Y365-L403 HydrophobicContact CD1-CD2 4.42Å; Y365-L403 HydrophobicContact CE1-CD2 4.41Å; Y365-Y409 WeakPolarHBondContact CE1-OH 3.4Å; Y365-Y409 PolarHBondContact OH-OH 3.49Å
366	M	98.6	Very high	97.9	Very high	9 Å²	9	39.8 Å²	39.8	4%	0.044	19%	0.193	C	C	.	.	H	α-helix	trans	-64.9	-35.9	176.8	-73.9	-58.7	-56.8	0	0	112.8	R362 Q363 L368 V369 N370 L403 R406 V407	R362-M366 WeakPolarHBondContact O-CG 3.27Å; R362-M366 PolarHBondContact O-N 3.11Å; Q363-M366 PolarHBondContact O-N 3.47Å; Q363-M366 VanDerWaalsContact O-N 3.1Å; M366-L368 VanDerWaalsContact C-N 3.33Å; M366-V369 PolarHBondContact O-N 2.93Å; M366-N370 PolarHBondContact O-N 3.45Å; M366-N370 PolarHBondContact O-ND2 3.38Å; M366-N370 PolarHBondContact O-OD1 3.25Å; M366-L403 HydrophobicContact CG-CD1 4.04Å; M366-L403 HydrophobicContact SD-CD1 3.32Å; M366-L403 WeakPolarHBondContact SD-CD1 3.46Å; M366-R406 HydrophobicContact CE-CG 3.85Å; M366-V407 HydrophobicContact CE-CG2 4.19Å; M366-V407 HydrophobicContact SD-CG2 3.63Å
367	E	98.5	Very high	97.6	Very high	87 Å²	87	44.4 Å²	44.4	41%	0.407	22%	0.222	S	C	.	.	H	α-helix	trans	-64	-39	173.9	-73.6	166.1	-162.7	0	0	112	Q363 A364 Y365 N370 T371	Q363-E367 WeakPolarHBondContact CG-OE1 3.33Å; Q363-E367 PolarHBondContact NE2-OE1 2.9Å; Q363-E367 PolarHBondContact O-N 3.02Å; A364-E367 PolarHBondContact O-N 3Å; Y365-E367 VanDerWaalsContact C-N 3.34Å; Y365-E367 PolarHBondContact O-N 2.61Å; E367-N370 PolarHBondContact O-N 2.93Å; E367-T371 WeakPolarHBondContact O-CB 3.31Å; E367-T371 PolarHBondContact O-N 3.13Å; E367-T371 PolarHBondContact O-OG1 3.47Å
368	L	98.3	Very high	97.2	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-45.6	171.4	176.4	59.7	0	0	0	111.5	V281 F284 P320 F323 L343 A364 Y365 M366 N370 T371 I372	V281-L368 HydrophobicContact CG1-CB 4.09Å; V281-L368 HydrophobicContact CG1-CD1 3.91Å; V281-L368 HydrophobicContact CG1-CD2 4.29Å; V281-L368 HydrophobicContact CG1-CG 4.31Å; V281-L368 HydrophobicContact CG2-CD1 4.04Å; V281-L368 HydrophobicContact CG2-CD2 4.39Å; F284-L368 HydrophobicContact CE2-CB 4.41Å; F284-L368 HydrophobicContact CE2-CD2 4.41Å; F284-L368 HydrophobicContact CZ-CD2 3.97Å; P320-L368 HydrophobicContact CB-CD2 3.94Å; P320-L368 WeakPolarHBondContact O-CD2 3.48Å; F323-L368 HydrophobicContact CB-CD1 4.17Å; L343-L368 HydrophobicContact CD1-CD2 4.02Å; L343-L368 HydrophobicContact CD2-CD2 4.44Å; A364-L368 PolarHBondContact O-N 3.06Å; A364-L368 VanDerWaalsContact O-N 3.09Å; Y365-L368 WeakPolarHBondContact O-CB 3.43Å; Y365-L368 PolarHBondContact O-N 3.25Å; M366-L368 VanDerWaalsContact C-N 3.33Å; L368-N370 VanDerWaalsContact C-N 3.31Å; L368-N370 PolarHBondContact O-N 2.9Å; L368-T371 WeakPolarHBondContact O-CB 3.24Å; L368-T371 PolarHBondContact O-N 3.33Å; L368-I372 HydrophobicContact CD1-CD1 3.94Å; L368-I372 HydrophobicContact CD1-CG1 4.1Å; L368-I372 HydrophobicContact CG-CD1 3.85Å; L368-I372 HydrophobicContact CG-CG1 4.44Å; L368-I372 VanDerWaalsContact O-CG1 3.28Å; L368-I372 WeakPolarHBondContact O-CG1 3.48Å; L368-I372 PolarHBondContact O-N 3.14Å
369	V	98.6	Very high	97.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-56.4	-46.5	175.7	169.6	0	0	0	0	111	L343 Y365 M366 T371 I372 H373 L381 V407	L343-V369 HydrophobicContact CD2-CG2 3.96Å; Y365-V369 HydrophobicContact CD1-CG2 3.94Å; Y365-V369 HydrophobicContact CE1-CG2 3.53Å; Y365-V369 WeakPolarHBondContact O-CG2 3.45Å; Y365-V369 PolarHBondContact O-N 3.48Å; M366-V369 PolarHBondContact O-N 2.93Å; V369-T371 PolarHBondContact O-N 3.28Å; V369-I372 PolarHBondContact O-N 2.83Å; V369-H373 PolarHBondContact O-N 3.18Å; V369-L381 HydrophobicContact CG1-CD1 3.93Å; V369-L381 HydrophobicContact CG2-CD1 4.33Å; V369-V407 HydrophobicContact CG1-CG1 4.04Å; V369-V407 HydrophobicContact CG1-CG2 4.31Å; V369-V407 HydrophobicContact CG2-CG1 4.41Å; V369-V407 HydrophobicContact CG2-CG2 4.26Å
370	N	98.3	Very high	97.3	Very high	90 Å²	90	42.9 Å²	42.9	48%	0.481	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-44	177.8	-66.3	-20.1	0	0	0	111.6	M366 E367 L368 I372 H373 E374	M366-N370 PolarHBondContact O-N 3.45Å; M366-N370 PolarHBondContact O-ND2 3.38Å; M366-N370 PolarHBondContact O-OD1 3.25Å; E367-N370 PolarHBondContact O-N 2.93Å; L368-N370 VanDerWaalsContact C-N 3.31Å; L368-N370 PolarHBondContact O-N 2.9Å; N370-I372 VanDerWaalsContact C-N 3.29Å; N370-I372 PolarHBondContact O-N 2.99Å; N370-H373 PolarHBondContact O-N 3.45Å; N370-E374 WeakPolarHBondContact O-CB 3.45Å; N370-E374 PolarHBondContact O-N 2.82Å
371	T	98.2	Very high	97.4	Very high	35 Å²	35	42.8 Å²	42.8	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-40	176.5	-57.1	0	0	0	0	111.5	K325 L328 E367 L368 V369 E374 I375	K325-T371 HydrophobicContact CG-CG2 4.43Å; L328-T371 HydrophobicContact CD1-CG2 4.27Å; E367-T371 WeakPolarHBondContact O-CB 3.31Å; E367-T371 PolarHBondContact O-N 3.13Å; E367-T371 PolarHBondContact O-OG1 3.47Å; L368-T371 WeakPolarHBondContact O-CB 3.24Å; L368-T371 PolarHBondContact O-N 3.33Å; V369-T371 PolarHBondContact O-N 3.28Å; T371-E374 PolarHBondContact O-N 2.95Å; T371-I375 HydrophobicContact CG2-CD1 3.88Å; T371-I375 WeakPolarHBondContact O-CG1 3.43Å; T371-I375 PolarHBondContact O-N 2.64Å; T371-I375 VanDerWaalsContact O-N 3.11Å
372	I	98.4	Very high	97.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.8	-45.9	176.9	-70.2	166.1	0	0	0	110.7	L328 I341 L343 L368 V369 N370 E374 I375 V376 V379 L381	L328-I372 HydrophobicContact CD1-CG1 3.68Å; L328-I372 HydrophobicContact CD2-CG1 3.8Å; L328-I372 HydrophobicContact CG-CG1 4.4Å; I341-I372 HydrophobicContact CD1-CG2 3.97Å; L343-I372 HydrophobicContact CD1-CD1 4.36Å; L343-I372 HydrophobicContact CD2-CD1 3.82Å; L368-I372 HydrophobicContact CD1-CD1 3.94Å; L368-I372 HydrophobicContact CD1-CG1 4.1Å; L368-I372 HydrophobicContact CG-CD1 3.85Å; L368-I372 HydrophobicContact CG-CG1 4.44Å; L368-I372 VanDerWaalsContact O-CG1 3.28Å; L368-I372 WeakPolarHBondContact O-CG1 3.48Å; L368-I372 PolarHBondContact O-N 3.14Å; V369-I372 PolarHBondContact O-N 2.83Å; N370-I372 VanDerWaalsContact C-N 3.29Å; N370-I372 PolarHBondContact O-N 2.99Å; I372-E374 VanDerWaalsContact C-N 3.34Å; I372-E374 PolarHBondContact O-N 2.84Å; I372-I375 PolarHBondContact O-N 3.07Å; I372-V376 WeakPolarHBondContact O-CA 3.23Å; I372-V376 PolarHBondContact O-N 3.4Å; I372-V379 HydrophobicContact CG2-CB 4.47Å; I372-V379 HydrophobicContact CG2-CG1 3.77Å; I372-V379 HydrophobicContact CG2-CG2 4.25Å; I372-L381 HydrophobicContact CG2-CD2 3.99Å
373	H	97.5	Very high	97.4	Very high	73 Å²	73	38.9 Å²	38.9	34%	0.338	20%	0.202	S	C	.	.	H	α-helix	trans	-67	-33.2	177.5	-73	-173.9	0	0	0	112.9	V369 N370 P377 V379 L381	V369-H373 PolarHBondContact O-N 3.18Å; N370-H373 PolarHBondContact O-N 3.45Å; H373-P377 VanDerWaalsContact O-CA 3.29Å; H373-P377 WeakPolarHBondContact O-CA 3.24Å; H373-V379 VanDerWaalsContact CD2-CG1 3.48Å; H373-V379 WeakPolarHBondContact CD2-CG1 3.33Å; H373-L381 WeakPolarHBondContact NE2-CD1 3.45Å
374	E	97.7	Very high	97.4	Very high	150 Å²	150	35.2 Å²	35.2	70%	0.701	19%	0.186	S	C	*	.	H	α-helix	trans	-64.8	-44.1	175.6	-175.4	-174.3	168.8	0	0	111.5	N370 T371 I372	N370-E374 WeakPolarHBondContact O-CB 3.45Å; N370-E374 PolarHBondContact O-N 2.82Å; T371-E374 PolarHBondContact O-N 2.95Å; I372-E374 VanDerWaalsContact C-N 3.34Å; I372-E374 PolarHBondContact O-N 2.84Å
375	I	97.6	Very high	97.4	Very high	32 Å²	32	35.1 Å²	35.1	16%	0.164	19%	0.185	C	C	.	.	H	α-helix	trans	-83.1	-36.4	-176.6	-62.4	171.8	0	0	0	111.7	K325 L328 Q329 C332 T371 I372	K325-I375 HydrophobicContact CB-CD1 4.32Å; K325-I375 HydrophobicContact CD-CD1 4.46Å; K325-I375 HydrophobicContact CG-CD1 4.14Å; L328-I375 HydrophobicContact CB-CB 4.29Å; L328-I375 HydrophobicContact CB-CD1 4.03Å; L328-I375 HydrophobicContact CB-CG2 3.87Å; L328-I375 HydrophobicContact CD1-CD1 4.05Å; Q329-I375 HydrophobicContact CG-CG2 4.07Å; C332-I375 HydrophobicContact CB-CG2 4.48Å; C332-I375 PolarHBondContact SG-O 3.4Å; C332-I375 VanDerWaalsContact SG-O 3.35Å; T371-I375 HydrophobicContact CG2-CD1 3.88Å; T371-I375 WeakPolarHBondContact O-CG1 3.43Å; T371-I375 PolarHBondContact O-N 2.64Å; T371-I375 VanDerWaalsContact O-N 3.11Å; I372-I375 PolarHBondContact O-N 3.07Å
376	V	96.3	Very high	97.4	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.024	19%	0.189	C	C	.	.			trans	-125.7	78.8	-177.6	-163.9	0	0	0	0	109.6	I331 C332 I372 N378 V379	I331-V376 HydrophobicContact CG2-CG2 4.46Å; C332-V376 HydrophobicContact CB-CG2 4.16Å; I372-V376 WeakPolarHBondContact O-CA 3.23Å; I372-V376 PolarHBondContact O-N 3.4Å; V376-N378 VanDerWaalsContact C-N 3.28Å; V376-N378 PolarHBondContact O-N 3.38Å; V376-N378 VanDerWaalsContact O-N 3.16Å; V376-V379 HydrophobicContact CB-CB 3.96Å; V376-V379 HydrophobicContact CB-CG1 4.43Å; V376-V379 HydrophobicContact CG1-CB 3.78Å; V376-V379 HydrophobicContact CG1-CG2 4.36Å; V376-V379 VanDerWaalsContact O-CB 3.25Å; V376-V379 WeakPolarHBondContact O-CB 3.47Å; V376-V379 WeakPolarHBondContact O-CG1 3.39Å; V376-V379 PolarHBondContact O-N 3.03Å; V376-V379 VanDerWaalsContact O-N 3.07Å
377	P	92.5	Very high	97.4	Very high	96 Å²	96	35.5 Å²	35.5	62%	0.623	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-31	-170.4	-27.9	36.1	0	0	0	115.7	H373 V379	H373-P377 VanDerWaalsContact O-CA 3.29Å; H373-P377 WeakPolarHBondContact O-CA 3.24Å; P377-V379 VanDerWaalsContact C-N 3.34Å
378	N	88.5	Confident	97.4	Very high	88 Å²	88	31.3 Å²	31.3	47%	0.471	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	15.9	-179.2	-63.5	-36.6	0	0	0	113	V376 Y486	V376-N378 VanDerWaalsContact C-N 3.28Å; V376-N378 PolarHBondContact O-N 3.38Å; V376-N378 VanDerWaalsContact O-N 3.16Å; N378-Y486 WeakPolarHBondContact O-CE1 3.19Å; N378-Y486 PolarHBondContact O-OH 2.97Å
379	V	96.5	Very high	97.4	Very high	11 Å²	11	31.1 Å²	31.1	7%	0.067	17%	0.166	C	C	.	.			trans	-68.5	139.4	-175.5	68.3	0	0	0	0	112.7	I341 I372 H373 V376 P377 L381	I341-V379 HydrophobicContact CB-CG2 4.33Å; I341-V379 HydrophobicContact CD1-CG2 4.03Å; I341-V379 HydrophobicContact CG1-CG2 3.94Å; I372-V379 HydrophobicContact CG2-CB 4.47Å; I372-V379 HydrophobicContact CG2-CG1 3.77Å; I372-V379 HydrophobicContact CG2-CG2 4.25Å; H373-V379 VanDerWaalsContact CD2-CG1 3.48Å; H373-V379 WeakPolarHBondContact CD2-CG1 3.33Å; V376-V379 HydrophobicContact CB-CB 3.96Å; V376-V379 HydrophobicContact CB-CG1 4.43Å; V376-V379 HydrophobicContact CG1-CB 3.78Å; V376-V379 HydrophobicContact CG1-CG2 4.36Å; V376-V379 VanDerWaalsContact O-CB 3.25Å; V376-V379 WeakPolarHBondContact O-CB 3.47Å; V376-V379 WeakPolarHBondContact O-CG1 3.39Å; V376-V379 PolarHBondContact O-N 3.03Å; V376-V379 VanDerWaalsContact O-N 3.07Å; P377-V379 VanDerWaalsContact C-N 3.34Å; V379-L381 HydrophobicContact CG1-CD2 4.26Å; V379-L381 HydrophobicContact CG1-CG 4.4Å; V379-L381 HydrophobicContact CG2-CD2 3.99Å
380	S	97.9	Very high	97.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.3	169.2	-173.5	0	0	0	0	110	S339 N340 I341 S410 F456	S339-S380 PolarHBondContact O-N 3.26Å; N340-S380 WeakPolarHBondContact CA-O 3.24Å; N340-S380 PolarHBondContact ND2-O 3.25Å; I341-S380 PolarHBondContact N-O 3.11Å; S380-S410 WeakPolarHBondContact OG-CB 3.42Å; S380-S410 PolarHBondContact OG-OG 3.38Å; S380-F456 WeakPolarHBondContact OG-CZ 3.22Å
381	L	98.6	Very high	97.4	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.3	176.4	-61	-174.2	0	0	0	111.3	I341 V369 I372 H373 V379 V407 Y409 S410	I341-L381 HydrophobicContact CB-CD2 3.88Å; I341-L381 HydrophobicContact CG2-CD2 4.45Å; I341-L381 WeakPolarHBondContact O-CA 3.39Å; V369-L381 HydrophobicContact CG1-CD1 3.93Å; V369-L381 HydrophobicContact CG2-CD1 4.33Å; I372-L381 HydrophobicContact CG2-CD2 3.99Å; H373-L381 WeakPolarHBondContact NE2-CD1 3.45Å; V379-L381 HydrophobicContact CG1-CD2 4.26Å; V379-L381 HydrophobicContact CG1-CG 4.4Å; V379-L381 HydrophobicContact CG2-CD2 3.99Å; L381-V407 HydrophobicContact CD1-CG1 3.96Å; L381-Y409 HydrophobicContact CB-CD1 3.86Å; L381-Y409 HydrophobicContact CB-CE1 4.32Å; L381-Y409 CarbonylContact O-C 3.54Å; L381-Y409 VanDerWaalsContact O-CA 3.29Å; L381-Y409 WeakPolarHBondContact O-CA 3.36Å; L381-Y409 WeakPolarHBondContact O-CB 3.43Å; L381-S410 PolarHBondContact O-N 3.16Å; L381-S410 PolarHBondContact O-OG 3.01Å; L381-S410 VanDerWaalsContact O-OG 3.14Å
382	T	98.7	Very high	97.4	Very high	15 Å²	15	27.4 Å²	27.4	9%	0.092	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	159.2	168.9	63.6	0	0	0	0	110.4	I341 H342 L343 S410 F411	I341-T382 PolarHBondContact O-N 3.44Å; H342-T382 CarbonylContact C-O 3.52Å; H342-T382 WeakPolarHBondContact CA-O 3.36Å; H342-T382 VanDerWaalsContact CA-OG1 3.29Å; H342-T382 WeakPolarHBondContact CA-OG1 3.14Å; H342-T382 WeakPolarHBondContact CB-OG1 3.46Å; H342-T382 PolarHBondContact ND1-OG1 3.13Å; L343-T382 PolarHBondContact N-O 3.25Å; T382-S410 WeakPolarHBondContact CG2-OG 3.48Å; T382-F411 CarbonylContact C-O 3.56Å; T382-F411 WeakPolarHBondContact CA-O 3.34Å; T382-F411 VanDerWaalsContact CB-O 3.23Å; T382-F411 WeakPolarHBondContact CB-O 3.44Å; T382-F411 HydrophobicContact CG2-CB 3.85Å
383	S	98.7	Very high	97.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	172.9	-176.5	-158.7	0	0	0	0	113.4	L343 A345 F411 C412 F413	L343-S383 PolarHBondContact O-OG 3.45Å; A345-S383 PolarHBondContact N-OG 3.02Å; S383-F411 PolarHBondContact N-O 2.84Å; S383-C412 CarbonylContact O-C 3.58Å; S383-C412 VanDerWaalsContact O-CA 3.31Å; S383-C412 WeakPolarHBondContact O-CA 3.45Å; S383-F413 PolarHBondContact O-N 3.12Å
384	D	98.6	Very high	97.5	Very high	33 Å²	33	30.6 Å²	30.6	18%	0.176	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.2	170.4	-60.7	-51.5	0	0	0	109	H342 P344 Q346 F413	H342-D384 IonicContact CE1-OD1 2.9Å; H342-D384 IonicContact CE1-OD2 2.84Å; H342-D384 IonicContact NE2-OD1 3.04Å; H342-D384 IonicContact NE2-OD2 2.87Å; H342-D384 PolarHBondContact NE2-OD2 3.25Å; P344-D384 HydrophobicContact CB-CB 4.15Å; P344-D384 WeakPolarHBondContact CG-OD2 3.26Å; Q346-D384 VanDerWaalsContact CA-O 3.23Å; Q346-D384 WeakPolarHBondContact CA-O 3.29Å; Q346-D384 PolarHBondContact N-O 2.83Å; D384-F413 CarbonylContact C-O 3.52Å; D384-F413 VanDerWaalsContact CA-O 3.3Å; D384-F413 WeakPolarHBondContact CA-O 3.46Å; D384-F413 WeakPolarHBondContact OD1-CB 3.36Å; D384-F413 WeakPolarHBondContact OD1-CD2 3.35Å
385	F	98.8	Very high	97.5	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.3	174.7	-76.1	-93.4	0	0	0	111.2	A345 L403 I404 Y409 C412 F413 C414 F415 L445	A345-F385 HydrophobicContact CB-CE1 4.11Å; A345-F385 HydrophobicContact CB-CE2 4.41Å; A345-F385 HydrophobicContact CB-CZ 3.85Å; F385-L403 HydrophobicContact CE1-CD2 4.07Å; F385-L403 HydrophobicContact CZ-CD2 4Å; F385-L403 HydrophobicContact CZ-CG 4.5Å; F385-I404 HydrophobicContact CD1-CD1 4.3Å; F385-I404 HydrophobicContact CD1-CG1 4.48Å; F385-I404 HydrophobicContact CD2-CD1 3.92Å; F385-I404 HydrophobicContact CD2-CG1 4.08Å; F385-I404 HydrophobicContact CE1-CD1 4.26Å; F385-I404 HydrophobicContact CE1-CG1 3.95Å; F385-I404 HydrophobicContact CE2-CD1 3.88Å; F385-I404 HydrophobicContact CE2-CG1 3.49Å; F385-I404 VanDerWaalsContact CE2-CG1 3.49Å; F385-I404 HydrophobicContact CG-CD1 4.13Å; F385-I404 HydrophobicContact CZ-CD1 4.05Å; F385-I404 HydrophobicContact CZ-CG1 3.42Å; F385-I404 VanDerWaalsContact CZ-CG1 3.42Å; F385-Y409 HydrophobicContact CE2-CD2 4.3Å; F385-Y409 AromaticContact CE2-CE2 3.82Å; F385-Y409 HydrophobicContact CE2-CE2 3.82Å; F385-Y409 AromaticContact CZ-CE2 3.85Å; F385-Y409 HydrophobicContact CZ-CE2 3.85Å; F385-C412 HydrophobicContact CD2-CB 4.01Å; F385-C412 HydrophobicContact CE2-CB 4.39Å; F385-F413 PolarHBondContact N-O 3.3Å; F385-C414 CarbonylContact O-C 3.48Å; F385-C414 WeakPolarHBondContact O-CA 3.5Å; F385-F415 PolarHBondContact O-N 2.92Å; F385-L445 HydrophobicContact CB-CD1 4.26Å; F385-L445 HydrophobicContact CD1-CD2 4.44Å
386	I	98.5	Very high	97.6	Very high	18 Å²	18	28.4 Å²	28.4	9%	0.092	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127	175.7	-65	171.6	0	0	0	108.2	Y218 Q346 M356 F389 F415 Y417	Y218-I386 HydrophobicContact CD2-CD1 3.85Å; Y218-I386 HydrophobicContact CE1-CD1 4.19Å; Y218-I386 HydrophobicContact CE2-CD1 3.5Å; Y218-I386 HydrophobicContact CG-CD1 4.36Å; Q346-I386 PolarHBondContact O-N 3.43Å; M356-I386 HydrophobicContact CE-CB 3.98Å; M356-I386 HydrophobicContact CE-CD1 4.35Å; M356-I386 HydrophobicContact CE-CG2 4.2Å; I386-F389 HydrophobicContact CG2-CB 4.48Å; I386-F415 CarbonylContact C-O 3.58Å; I386-F415 WeakPolarHBondContact CA-O 3.48Å; I386-Y417 HydrophobicContact CG2-CD2 4.16Å; I386-Y417 HydrophobicContact CG2-CG 4.25Å
387	A	98.6	Very high	97.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.3	179.8	0	0	0	0	0	111.5	F415 Y417 R441 H442 L445	A387-F415 PolarHBondContact N-O 2.7Å; A387-Y417 PolarHBondContact O-N 3.28Å; A387-R441 HydrophobicContact CB-CB 3.99Å; A387-H442 HydrophobicContact CB-CB 3.94Å; A387-L445 HydrophobicContact CB-CD1 3.7Å
388	G	98.4	Very high	98	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	66.5	48.7	177.7	0	0	0	0	0	113.3	E392 Y417 K438	G388-E392 WeakPolarHBondContact CA-OE1 3.27Å; G388-E392 VanDerWaalsContact CA-OE2 3.26Å; G388-E392 WeakPolarHBondContact CA-OE2 3.3Å; G388-E392 PolarHBondContact N-OE1 3.25Å; G388-E392 PolarHBondContact N-OE2 3.47Å; G388-Y417 WeakPolarHBondContact O-CB 3.46Å; G388-K438 VanDerWaalsContact O-CE 3.26Å; G388-K438 WeakPolarHBondContact O-CE 3.43Å
389	F	98.6	Very high	98.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.			trans	-63.6	161.4	166.9	-173.5	-112.8	0	0	0	111.2	T217 Y218 V352 N355 M356 I386 G391 E392 Y417 A425 L429 V433	T217-F389 WeakPolarHBondContact OG1-CZ 3.17Å; Y218-F389 HydrophobicContact CD1-CE2 4.27Å; Y218-F389 HydrophobicContact CG-CE2 4.45Å; V352-F389 HydrophobicContact CG1-CB 4.17Å; V352-F389 HydrophobicContact CG1-CD1 4.09Å; N355-F389 HydrophobicContact CB-CD1 4.44Å; N355-F389 HydrophobicContact CB-CE1 3.89Å; M356-F389 HydrophobicContact CE-CB 3.53Å; M356-F389 HydrophobicContact CE-CD1 4Å; M356-F389 HydrophobicContact CE-CD2 4.13Å; M356-F389 HydrophobicContact CE-CG 3.59Å; M356-F389 HydrophobicContact CG-CD1 3.7Å; M356-F389 HydrophobicContact CG-CD2 4.45Å; M356-F389 HydrophobicContact CG-CE1 3.7Å; M356-F389 HydrophobicContact CG-CG 4.08Å; M356-F389 HydrophobicContact CG-CZ 4.13Å; I386-F389 HydrophobicContact CG2-CB 4.48Å; F389-G391 PolarHBondContact O-N 2.9Å; F389-E392 PolarHBondContact N-OE2 3.26Å; F389-E392 WeakPolarHBondContact O-CB 3.35Å; F389-E392 PolarHBondContact O-N 2.98Å; F389-Y417 HydrophobicContact CD2-CD1 4.05Å; F389-Y417 AromaticContact CD2-CD2 3.73Å; F389-Y417 HydrophobicContact CD2-CD2 3.73Å; F389-Y417 HydrophobicContact CD2-CE1 4.02Å; F389-Y417 AromaticContact CD2-CE2 3.72Å; F389-Y417 HydrophobicContact CD2-CE2 3.72Å; F389-Y417 AromaticContact CD2-CG 3.91Å; F389-Y417 HydrophobicContact CD2-CG 3.91Å; F389-Y417 AromaticContact CD2-CZ 3.84Å; F389-Y417 HydrophobicContact CE2-CD2 4.26Å; F389-Y417 HydrophobicContact CE2-CE1 4.21Å; F389-Y417 AromaticContact CE2-CE2 3.76Å; F389-Y417 HydrophobicContact CE2-CE2 3.76Å; F389-Y417 AromaticContact CE2-CZ 3.71Å; F389-A425 HydrophobicContact CE2-CB 4.42Å; F389-A425 HydrophobicContact CZ-CB 4.44Å; F389-L429 HydrophobicContact CE1-CD1 4.15Å; F389-L429 HydrophobicContact CZ-CD1 3.78Å; F389-V433 WeakPolarHBondContact O-CG2 3.26Å
390	C	98.5	Very high	98.6	Very high	7 Å²	7	25.2 Å²	25.2	5%	0.047	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	121.8	179	-62.8	0	0	0	0	111.7	Y417 L429 T430	C390-Y417 WeakPolarHBondContact SG-CE1 3.47Å; C390-L429 HydrophobicContact CB-CB 3.94Å; C390-L429 HydrophobicContact CB-CD1 4.04Å; C390-T430 WeakPolarHBondContact CB-O 3.14Å; C390-T430 PolarHBondContact SG-O 2.84Å
391	G	98	Very high	98.7	Very high	34 Å²	34	27 Å²	27	35%	0.351	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	7.7	179.4	0	0	0	0	0	116.1	F389 T393 D432	F389-G391 PolarHBondContact O-N 2.9Å; G391-T393 PolarHBondContact O-N 2.83Å; G391-D432 PolarHBondContact N-OD1 3.18Å
392	E	98.7	Very high	98.7	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.037	17%	0.169	C	C	.	.			trans	-70.2	120.9	-177.9	-176.4	-169	115.1	0	0	112.4	V352 G388 F389 D396 V433 R441	V352-E392 HydrophobicContact CG2-CB 4.21Å; V352-E392 HydrophobicContact CG2-CG 4.06Å; G388-E392 WeakPolarHBondContact CA-OE1 3.27Å; G388-E392 VanDerWaalsContact CA-OE2 3.26Å; G388-E392 WeakPolarHBondContact CA-OE2 3.3Å; G388-E392 PolarHBondContact N-OE1 3.25Å; G388-E392 PolarHBondContact N-OE2 3.47Å; F389-E392 PolarHBondContact N-OE2 3.26Å; F389-E392 WeakPolarHBondContact O-CB 3.35Å; F389-E392 PolarHBondContact O-N 2.98Å; E392-D396 HydrophobicContact CG-CB 3.93Å; E392-V433 HydrophobicContact CB-CG2 4.41Å; E392-R441 PolarHBondContact O-NH1 3.49Å; E392-R441 PolarHBondContact O-NH2 2.84Å; E392-R441 VanDerWaalsContact OE1-CD 3.26Å; E392-R441 WeakPolarHBondContact OE1-CD 3.34Å; E392-R441 IonicContact OE1-CZ 3.29Å; E392-R441 IonicContact OE1-NE 2.85Å; E392-R441 IonicContact OE1-NH1 2.79Å; E392-R441 PolarHBondContact OE1-NH1 3.02Å
393	T	98.7	Very high	98.7	Very high	60 Å²	60	30 Å²	30	37%	0.368	17%	0.165	S	C	.	.			trans	-86.8	175.3	177.9	81.4	0	0	0	0	113	G391 E395 D396 H397	G391-T393 PolarHBondContact O-N 2.83Å; T393-E395 VanDerWaalsContact C-N 3.32Å; T393-E395 WeakPolarHBondContact CB-OE2 3.5Å; T393-E395 PolarHBondContact OG1-N 3.4Å; T393-E395 PolarHBondContact OG1-OE2 2.8Å; T393-D396 PolarHBondContact N-OD2 3.3Å; T393-D396 VanDerWaalsContact N-OD2 3.14Å; T393-D396 PolarHBondContact O-N 3.26Å; T393-D396 PolarHBondContact OG1-N 2.86Å; T393-D396 PolarHBondContact OG1-OD2 2.96Å; T393-H397 PolarHBondContact O-N 3.06Å; T393-H397 VanDerWaalsContact O-N 3.12Å
394	E	98.7	Very high	98.7	Very high	80 Å²	80	30 Å²	30	37%	0.374	17%	0.165	S	C	.	.	H	α-helix	trans	-66.2	-35.4	172.7	-69.9	-59.9	130.2	0	0	111.7	H397 S398 R440 R441	E394-H397 PolarHBondContact O-N 3.1Å; E394-S398 WeakPolarHBondContact O-CB 3.41Å; E394-S398 PolarHBondContact O-N 3.02Å; E394-R440 VanDerWaalsContact CD-NH2 3.32Å; E394-R440 IonicContact OE1-CZ 2.89Å; E394-R440 IonicContact OE1-NH2 2.66Å; E394-R440 PolarHBondContact OE1-NH2 3.14Å; E394-R440 IonicContact OE2-CZ 2.82Å; E394-R440 IonicContact OE2-NH1 3.39Å; E394-R440 PolarHBondContact OE2-NH1 2.95Å; E394-R440 IonicContact OE2-NH2 2.76Å; E394-R440 PolarHBondContact OE2-NH2 3.49Å; E394-R441 IonicContact OE1-CZ 3.57Å; E394-R441 IonicContact OE1-NE 2.79Å; E394-R441 PolarHBondContact OE1-NE 2.77Å; E394-R441 IonicContact OE1-NH2 2.81Å; E394-R441 PolarHBondContact OE1-NH2 2.52Å
395	E	98.8	Very high	98.7	Very high	126 Å²	126	33.7 Å²	33.7	59%	0.589	18%	0.181	S	C	*	.	H	α-helix	trans	-65.2	-39.4	175.6	-61.6	71.6	-155.2	0	0	111.5	T393 S398 Q399	T393-E395 VanDerWaalsContact C-N 3.32Å; T393-E395 WeakPolarHBondContact CB-OE2 3.5Å; T393-E395 PolarHBondContact OG1-N 3.4Å; T393-E395 PolarHBondContact OG1-OE2 2.8Å; E395-S398 PolarHBondContact O-N 2.76Å; E395-Q399 WeakPolarHBondContact O-CG 3.44Å; E395-Q399 PolarHBondContact O-N 3.21Å; E395-Q399 PolarHBondContact O-NE2 3.26Å
396	D	98.9	Very high	98.7	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.059	21%	0.21	C	C	.	.	H	α-helix	trans	-65.5	-40.8	176	-70.3	-38.7	0	0	0	112.4	S349 V352 E392 T393 Q399 S400	S349-D396 WeakPolarHBondContact CB-OD1 3.25Å; S349-D396 PolarHBondContact OG-OD1 3.18Å; V352-D396 HydrophobicContact CG2-CB 3.7Å; E392-D396 HydrophobicContact CG-CB 3.93Å; T393-D396 PolarHBondContact N-OD2 3.3Å; T393-D396 VanDerWaalsContact N-OD2 3.14Å; T393-D396 PolarHBondContact O-N 3.26Å; T393-D396 PolarHBondContact OG1-N 2.86Å; T393-D396 PolarHBondContact OG1-OD2 2.96Å; D396-Q399 PolarHBondContact O-N 3.02Å; D396-S400 PolarHBondContact O-N 2.78Å; D396-S400 PolarHBondContact O-OG 3.17Å
397	H	98.9	Very high	98.7	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.019	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-43.6	175.1	175.2	63.8	0	0	0	111.5	T393 E394 Q399 S400 L401 R441 E444	T393-H397 PolarHBondContact O-N 3.06Å; T393-H397 VanDerWaalsContact O-N 3.12Å; E394-H397 PolarHBondContact O-N 3.1Å; H397-Q399 VanDerWaalsContact C-N 3.3Å; H397-Q399 PolarHBondContact O-N 3.32Å; H397-S400 WeakPolarHBondContact O-CA 3.46Å; H397-S400 VanDerWaalsContact O-CB 3.26Å; H397-S400 WeakPolarHBondContact O-CB 3.21Å; H397-S400 PolarHBondContact O-N 2.86Å; H397-L401 PolarHBondContact O-N 3.1Å; H397-R441 HydrophobicContact CB-CG 4.43Å; H397-R441 VanDerWaalsContact CE1-CB 3.43Å; H397-R441 WeakPolarHBondContact CE1-CB 3.47Å; H397-R441 PolarHBondContact CE1-O 2.94Å; H397-E444 IonicContact CD2-OE2 3.56Å; H397-E444 PolarHBondContact CD2-OE2 3.2Å; H397-E444 IonicContact CE1-OE2 2.85Å; H397-E444 IonicContact NE2-OE2 3.22Å; H397-E444 PolarHBondContact NE2-OE2 3.3Å
398	S	98.9	Very high	98.6	Very high	69 Å²	69	42.5 Å²	42.5	48%	0.483	22%	0.224	S	C	.	.	H	α-helix	trans	-56.8	-42.2	174.5	-175.5	0	0	0	0	112.1	E394 E395 S400 L401 E402	E394-S398 WeakPolarHBondContact O-CB 3.41Å; E394-S398 PolarHBondContact O-N 3.02Å; E395-S398 PolarHBondContact O-N 2.76Å; S398-S400 PolarHBondContact O-N 3.46Å; S398-L401 WeakPolarHBondContact O-CB 3.48Å; S398-L401 PolarHBondContact O-N 3.12Å; S398-L401 VanDerWaalsContact O-N 3.17Å; S398-E402 PolarHBondContact O-N 3.02Å
399	Q	98.9	Very high	98.6	Very high	56 Å²	56	42.6 Å²	42.6	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-29.3	173.9	-71	173.9	62.6	0	0	113.2	E395 D396 H397 L403	E395-Q399 WeakPolarHBondContact O-CG 3.44Å; E395-Q399 PolarHBondContact O-N 3.21Å; E395-Q399 PolarHBondContact O-NE2 3.26Å; D396-Q399 PolarHBondContact O-N 3.02Å; H397-Q399 VanDerWaalsContact C-N 3.3Å; H397-Q399 PolarHBondContact O-N 3.32Å; Q399-L403 WeakPolarHBondContact O-CB 3.37Å; Q399-L403 PolarHBondContact O-N 2.81Å
400	S	98.9	Very high	98.6	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-71.7	-40.1	174.7	-56.3	0	0	0	0	111.8	S347 G348 D396 H397 S398 L403 I404	S347-S400 PolarHBondContact OG-OG 3.17Å; G348-S400 PolarHBondContact N-OG 2.95Å; D396-S400 PolarHBondContact O-N 2.78Å; D396-S400 PolarHBondContact O-OG 3.17Å; H397-S400 WeakPolarHBondContact O-CA 3.46Å; H397-S400 VanDerWaalsContact O-CB 3.26Å; H397-S400 WeakPolarHBondContact O-CB 3.21Å; H397-S400 PolarHBondContact O-N 2.86Å; S398-S400 PolarHBondContact O-N 3.46Å; S400-L403 PolarHBondContact O-N 3.42Å; S400-I404 WeakPolarHBondContact O-CG1 3.4Å; S400-I404 PolarHBondContact O-N 3.34Å; S400-I404 VanDerWaalsContact O-N 3.17Å
401	L	98.9	Very high	98.6	Very high	39 Å²	39	46 Å²	46	20%	0.204	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-49.3	171.3	-60.3	174.3	0	0	0	110.7	H397 S398 L403 I404 E405 E444 L445 I448	H397-L401 PolarHBondContact O-N 3.1Å; S398-L401 WeakPolarHBondContact O-CB 3.48Å; S398-L401 PolarHBondContact O-N 3.12Å; S398-L401 VanDerWaalsContact O-N 3.17Å; L401-L403 VanDerWaalsContact C-N 3.29Å; L401-L403 PolarHBondContact O-N 3.26Å; L401-I404 PolarHBondContact O-N 3.38Å; L401-I404 VanDerWaalsContact O-N 3.13Å; L401-E405 PolarHBondContact O-N 2.97Å; L401-E444 HydrophobicContact CD2-CB 4.2Å; L401-L445 HydrophobicContact CD2-CD2 3.93Å; L401-L445 HydrophobicContact CD2-CG 4.31Å; L401-I448 HydrophobicContact CB-CD1 4.26Å; L401-I448 HydrophobicContact CD2-CG2 3.74Å; L401-I448 WeakPolarHBondContact O-CD1 3.42Å
402	E	98.8	Very high	98.6	Very high	82 Å²	82	44.7 Å²	44.7	38%	0.383	22%	0.224	S	C	.	.	H	α-helix	trans	-60.5	-37	179	-162.6	-153.9	137	0	0	112	R362 S398 E405 R406	R362-E402 IonicContact CZ-OE1 3.15Å; R362-E402 IonicContact CZ-OE2 3.69Å; R362-E402 IonicContact NH1-OE1 3.11Å; R362-E402 IonicContact NH1-OE2 3.96Å; R362-E402 PolarHBondContact NH1-OE2 3.05Å; R362-E402 IonicContact NH2-OE1 2.76Å; R362-E402 PolarHBondContact NH2-OE1 2.9Å; R362-E402 IonicContact NH2-OE2 3.31Å; R362-E402 PolarHBondContact NH2-OE2 2.67Å; R362-E402 VanDerWaalsContact NH2-OE2 3.09Å; S398-E402 PolarHBondContact O-N 3.02Å; E402-E405 PolarHBondContact O-N 2.96Å; E402-R406 VanDerWaalsContact O-CB 3.25Å; E402-R406 WeakPolarHBondContact O-CB 3.36Å; E402-R406 PolarHBondContact O-N 3.26Å
403	L	98.9	Very high	98.5	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-45.9	174.8	-175.8	69.7	0	0	0	111.7	A345 R362 Y365 M366 F385 Q399 S400 L401 E405 R406 V407	A345-L403 HydrophobicContact CB-CD2 3.87Å; R362-L403 HydrophobicContact CG-CD1 4.35Å; Y365-L403 HydrophobicContact CD1-CD1 4.36Å; Y365-L403 HydrophobicContact CD1-CD2 4.42Å; Y365-L403 HydrophobicContact CE1-CD2 4.41Å; M366-L403 HydrophobicContact CG-CD1 4.04Å; M366-L403 HydrophobicContact SD-CD1 3.32Å; M366-L403 WeakPolarHBondContact SD-CD1 3.46Å; F385-L403 HydrophobicContact CE1-CD2 4.07Å; F385-L403 HydrophobicContact CZ-CD2 4Å; F385-L403 HydrophobicContact CZ-CG 4.5Å; Q399-L403 WeakPolarHBondContact O-CB 3.37Å; Q399-L403 PolarHBondContact O-N 2.81Å; S400-L403 PolarHBondContact O-N 3.42Å; L401-L403 VanDerWaalsContact C-N 3.29Å; L401-L403 PolarHBondContact O-N 3.26Å; L403-E405 VanDerWaalsContact C-N 3.29Å; L403-E405 PolarHBondContact O-N 3.49Å; L403-R406 PolarHBondContact O-N 3.34Å; L403-V407 HydrophobicContact CD1-CG2 3.95Å; L403-V407 HydrophobicContact CG-CG2 4.31Å; L403-V407 WeakPolarHBondContact O-CB 3.3Å; L403-V407 WeakPolarHBondContact O-CG2 3.19Å; L403-V407 PolarHBondContact O-N 3.44Å
404	I	98.8	Very high	98.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-44	177.5	-67.4	171.3	0	0	0	110.3	F385 S400 L401 G408 Y409 L445 I448 K452	F385-I404 HydrophobicContact CD1-CD1 4.3Å; F385-I404 HydrophobicContact CD1-CG1 4.48Å; F385-I404 HydrophobicContact CD2-CD1 3.92Å; F385-I404 HydrophobicContact CD2-CG1 4.08Å; F385-I404 HydrophobicContact CE1-CD1 4.26Å; F385-I404 HydrophobicContact CE1-CG1 3.95Å; F385-I404 HydrophobicContact CE2-CD1 3.88Å; F385-I404 HydrophobicContact CE2-CG1 3.49Å; F385-I404 VanDerWaalsContact CE2-CG1 3.49Å; F385-I404 HydrophobicContact CG-CD1 4.13Å; F385-I404 HydrophobicContact CZ-CD1 4.05Å; F385-I404 HydrophobicContact CZ-CG1 3.42Å; F385-I404 VanDerWaalsContact CZ-CG1 3.42Å; S400-I404 WeakPolarHBondContact O-CG1 3.4Å; S400-I404 PolarHBondContact O-N 3.34Å; S400-I404 VanDerWaalsContact O-N 3.17Å; L401-I404 PolarHBondContact O-N 3.38Å; L401-I404 VanDerWaalsContact O-N 3.13Å; I404-G408 PolarHBondContact O-N 3.29Å; I404-Y409 HydrophobicContact CB-CD2 4.45Å; I404-Y409 HydrophobicContact CG1-CD2 4.34Å; I404-Y409 HydrophobicContact CG1-CE2 4.33Å; I404-Y409 HydrophobicContact CG2-CD2 4.35Å; I404-L445 HydrophobicContact CD1-CD2 3.58Å; I404-I448 HydrophobicContact CB-CG2 4.21Å; I404-I448 HydrophobicContact CD1-CG2 3.92Å; I404-I448 HydrophobicContact CG2-CG1 4.27Å; I404-I448 HydrophobicContact CG2-CG2 3.97Å; I404-K452 HydrophobicContact CG2-CG 4.34Å
405	E	98.6	Very high	98.3	Very high	110 Å²	110	44.7 Å²	44.7	51%	0.514	22%	0.219	S	C	.	.	H	α-helix	trans	-60	-48.8	178	-179.5	158.7	-141.4	0	0	112.1	L401 E402 L403 I448	L401-E405 PolarHBondContact O-N 2.97Å; E402-E405 PolarHBondContact O-N 2.96Å; L403-E405 VanDerWaalsContact C-N 3.29Å; L403-E405 PolarHBondContact O-N 3.49Å; E405-I448 HydrophobicContact CB-CD1 4.06Å
406	R	98.2	Very high	98.2	Very high	162 Å²	162	41.5 Å²	41.5	61%	0.611	21%	0.21	S	C	*	.	H	α-helix	trans	-71	-37.9	-174.5	-172.3	172.1	179.2	172.1	-2.3	113.4	M366 E402 L403	M366-R406 HydrophobicContact CE-CG 3.85Å; E402-R406 VanDerWaalsContact O-CB 3.25Å; E402-R406 WeakPolarHBondContact O-CB 3.36Å; E402-R406 PolarHBondContact O-N 3.26Å; L403-R406 PolarHBondContact O-N 3.34Å
407	V	98.6	Very high	98.1	Very high	13 Å²	13	41.6 Å²	41.6	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-76.7	-34.2	178.3	177.7	0	0	0	0	111.1	M366 V369 L381 L403 Y409	M366-V407 HydrophobicContact CE-CG2 4.19Å; M366-V407 HydrophobicContact SD-CG2 3.63Å; V369-V407 HydrophobicContact CG1-CG1 4.04Å; V369-V407 HydrophobicContact CG1-CG2 4.31Å; V369-V407 HydrophobicContact CG2-CG1 4.41Å; V369-V407 HydrophobicContact CG2-CG2 4.26Å; L381-V407 HydrophobicContact CD1-CG1 3.96Å; L403-V407 HydrophobicContact CD1-CG2 3.95Å; L403-V407 HydrophobicContact CG-CG2 4.31Å; L403-V407 WeakPolarHBondContact O-CB 3.3Å; L403-V407 WeakPolarHBondContact O-CG2 3.19Å; L403-V407 PolarHBondContact O-N 3.44Å; V407-Y409 HydrophobicContact CB-CD2 4.02Å; V407-Y409 HydrophobicContact CB-CE1 4.18Å; V407-Y409 HydrophobicContact CB-CE2 3.63Å; V407-Y409 HydrophobicContact CB-CG 4.45Å; V407-Y409 HydrophobicContact CG1-CD1 3.71Å; V407-Y409 HydrophobicContact CG1-CD2 4.09Å; V407-Y409 HydrophobicContact CG1-CE1 3.44Å; V407-Y409 VanDerWaalsContact CG1-CE1 3.44Å; V407-Y409 HydrophobicContact CG1-CE2 3.85Å; V407-Y409 HydrophobicContact CG1-CG 4.03Å; V407-Y409 HydrophobicContact CG2-CE2 4.1Å
408	G	97.2	Very high	97.8	Very high	29 Å²	29	43.2 Å²	43.2	30%	0.299	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	43.9	-179.2	0	0	0	0	0	112.7	I404	I404-G408 PolarHBondContact O-N 3.29Å
409	Y	98.6	Very high	97.6	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.208	C	C	.	.			trans	-52.4	140.5	179	-60	-79.2	0	0	0	111.8	Y365 L381 F385 I404 V407 F411 C412	Y365-Y409 WeakPolarHBondContact CE1-OH 3.4Å; Y365-Y409 PolarHBondContact OH-OH 3.49Å; L381-Y409 HydrophobicContact CB-CD1 3.86Å; L381-Y409 HydrophobicContact CB-CE1 4.32Å; L381-Y409 CarbonylContact O-C 3.54Å; L381-Y409 VanDerWaalsContact O-CA 3.29Å; L381-Y409 WeakPolarHBondContact O-CA 3.36Å; L381-Y409 WeakPolarHBondContact O-CB 3.43Å; F385-Y409 HydrophobicContact CE2-CD2 4.3Å; F385-Y409 AromaticContact CE2-CE2 3.82Å; F385-Y409 HydrophobicContact CE2-CE2 3.82Å; F385-Y409 AromaticContact CZ-CE2 3.85Å; F385-Y409 HydrophobicContact CZ-CE2 3.85Å; I404-Y409 HydrophobicContact CB-CD2 4.45Å; I404-Y409 HydrophobicContact CG1-CD2 4.34Å; I404-Y409 HydrophobicContact CG1-CE2 4.33Å; I404-Y409 HydrophobicContact CG2-CD2 4.35Å; V407-Y409 HydrophobicContact CB-CD2 4.02Å; V407-Y409 HydrophobicContact CB-CE1 4.18Å; V407-Y409 HydrophobicContact CB-CE2 3.63Å; V407-Y409 HydrophobicContact CB-CG 4.45Å; V407-Y409 HydrophobicContact CG1-CD1 3.71Å; V407-Y409 HydrophobicContact CG1-CD2 4.09Å; V407-Y409 HydrophobicContact CG1-CE1 3.44Å; V407-Y409 VanDerWaalsContact CG1-CE1 3.44Å; V407-Y409 HydrophobicContact CG1-CE2 3.85Å; V407-Y409 HydrophobicContact CG1-CG 4.03Å; V407-Y409 HydrophobicContact CG2-CE2 4.1Å; Y409-F411 PolarHBondContact O-N 2.99Å; Y409-C412 VanDerWaalsContact CB-SG 3.54Å; Y409-C412 WeakPolarHBondContact CD2-SG 3.27Å
410	S	97.9	Very high	97.3	Very high	7 Å²	7	40.3 Å²	40.3	5%	0.049	20%	0.199	C	C	.	.	S	Bend	trans	-72.2	-22.3	174.1	62.6	0	0	0	0	112.8	S380 L381 T382 S453 F456	S380-S410 WeakPolarHBondContact OG-CB 3.42Å; S380-S410 PolarHBondContact OG-OG 3.38Å; L381-S410 PolarHBondContact O-N 3.16Å; L381-S410 PolarHBondContact O-OG 3.01Å; L381-S410 VanDerWaalsContact O-OG 3.14Å; T382-S410 WeakPolarHBondContact CG2-OG 3.48Å; S410-S453 WeakPolarHBondContact O-CA 3.35Å; S410-S453 WeakPolarHBondContact O-CB 3.45Å; S410-S453 PolarHBondContact O-OG 3.44Å; S410-F456 VanDerWaalsContact CB-CD1 3.46Å
411	F	98	Very high	96.8	Very high	73 Å²	73	43.2 Å²	43.2	32%	0.32	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	135	173.4	-169.6	-94.2	0	0	0	111.8	T382 S383 Y409 F413	T382-F411 CarbonylContact C-O 3.56Å; T382-F411 WeakPolarHBondContact CA-O 3.34Å; T382-F411 VanDerWaalsContact CB-O 3.23Å; T382-F411 WeakPolarHBondContact CB-O 3.44Å; T382-F411 HydrophobicContact CG2-CB 3.85Å; S383-F411 PolarHBondContact N-O 2.84Å; Y409-F411 PolarHBondContact O-N 2.99Å; F411-F413 HydrophobicContact CD1-CD2 4.07Å; F411-F413 HydrophobicContact CD1-CE1 4.35Å; F411-F413 AromaticContact CD1-CE2 3.9Å; F411-F413 HydrophobicContact CD1-CE2 3.9Å; F411-F413 HydrophobicContact CD1-CG 4.35Å; F411-F413 HydrophobicContact CD1-CZ 4.04Å; F411-F413 AromaticContact CE1-CD1 3.58Å; F411-F413 HydrophobicContact CE1-CD1 3.58Å; F411-F413 AromaticContact CE1-CD2 3.92Å; F411-F413 HydrophobicContact CE1-CD2 3.92Å; F411-F413 AromaticContact CE1-CE1 3.52Å; F411-F413 HydrophobicContact CE1-CE1 3.52Å; F411-F413 AromaticContact CE1-CE2 3.86Å; F411-F413 HydrophobicContact CE1-CE2 3.86Å; F411-F413 AromaticContact CE1-CG 3.77Å; F411-F413 HydrophobicContact CE1-CG 3.77Å; F411-F413 AromaticContact CE1-CZ 3.65Å; F411-F413 HydrophobicContact CE1-CZ 3.65Å; F411-F413 HydrophobicContact CZ-CD1 4.39Å; F411-F413 HydrophobicContact CZ-CE1 4.29Å
412	C	98.6	Very high	96.3	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.034	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.7	166.8	-55.9	0	0	0	0	112	S383 F385 Y409 C414 S449	S383-C412 CarbonylContact O-C 3.58Å; S383-C412 VanDerWaalsContact O-CA 3.31Å; S383-C412 WeakPolarHBondContact O-CA 3.45Å; F385-C412 HydrophobicContact CD2-CB 4.01Å; F385-C412 HydrophobicContact CE2-CB 4.39Å; Y409-C412 VanDerWaalsContact CB-SG 3.54Å; Y409-C412 WeakPolarHBondContact CD2-SG 3.27Å; C412-C414 PolarHBondContact O-N 3.49Å; C412-S449 VanDerWaalsContact CB-OG 3.26Å; C412-S449 WeakPolarHBondContact CB-OG 3.37Å; C412-S449 PolarHBondContact N-OG 2.97Å; C412-S449 VanDerWaalsContact N-OG 3.12Å; C412-S449 PolarHBondContact O-OG 3.3Å
413	F	97	Very high	96.1	Very high	85 Å²	85	42.2 Å²	42.2	37%	0.373	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	107.7	163.3	-60.8	-86.9	0	0	0	109.6	H342 S383 D384 F385 F411 F415	H342-F413 AromaticContact CE1-CD2 3.92Å; S383-F413 PolarHBondContact O-N 3.12Å; D384-F413 CarbonylContact C-O 3.52Å; D384-F413 VanDerWaalsContact CA-O 3.3Å; D384-F413 WeakPolarHBondContact CA-O 3.46Å; D384-F413 WeakPolarHBondContact OD1-CB 3.36Å; D384-F413 WeakPolarHBondContact OD1-CD2 3.35Å; F385-F413 PolarHBondContact N-O 3.3Å; F411-F413 HydrophobicContact CD1-CD2 4.07Å; F411-F413 HydrophobicContact CD1-CE1 4.35Å; F411-F413 AromaticContact CD1-CE2 3.9Å; F411-F413 HydrophobicContact CD1-CE2 3.9Å; F411-F413 HydrophobicContact CD1-CG 4.35Å; F411-F413 HydrophobicContact CD1-CZ 4.04Å; F411-F413 AromaticContact CE1-CD1 3.58Å; F411-F413 HydrophobicContact CE1-CD1 3.58Å; F411-F413 AromaticContact CE1-CD2 3.92Å; F411-F413 HydrophobicContact CE1-CD2 3.92Å; F411-F413 AromaticContact CE1-CE1 3.52Å; F411-F413 HydrophobicContact CE1-CE1 3.52Å; F411-F413 AromaticContact CE1-CE2 3.86Å; F411-F413 HydrophobicContact CE1-CE2 3.86Å; F411-F413 AromaticContact CE1-CG 3.77Å; F411-F413 HydrophobicContact CE1-CG 3.77Å; F411-F413 AromaticContact CE1-CZ 3.65Å; F411-F413 HydrophobicContact CE1-CZ 3.65Å; F411-F413 HydrophobicContact CZ-CD1 4.39Å; F411-F413 HydrophobicContact CZ-CE1 4.29Å; F413-F415 HydrophobicContact CB-CE2 3.51Å; F413-F415 HydrophobicContact CB-CZ 3.7Å; F413-F415 HydrophobicContact CD1-CZ 4.27Å; F413-F415 HydrophobicContact CG-CE2 4.5Å; F413-F415 HydrophobicContact CG-CZ 4.41Å
414	C	97.9	Very high	95.9	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.074	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.5	178.4	-53.3	0	0	0	0	109.9	F385 C412 H442 L445	F385-C414 CarbonylContact O-C 3.48Å; F385-C414 WeakPolarHBondContact O-CA 3.5Å; C412-C414 PolarHBondContact O-N 3.49Å; C414-H442 PolarHBondContact O-CD2 3.4Å; C414-H442 PolarHBondContact O-NE2 2.93Å; C414-L445 HydrophobicContact CB-CB 4.04Å
415	F	95.6	Very high	95.9	Very high	53 Å²	53	45.1 Å²	45.1	23%	0.232	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	141.5	177.6	-57.1	-68.1	0	0	0	111.7	R78 F385 I386 A387 F413	R78-F415 VanDerWaalsContact NH1-CZ 3.33Å; F385-F415 PolarHBondContact O-N 2.92Å; I386-F415 CarbonylContact C-O 3.58Å; I386-F415 WeakPolarHBondContact CA-O 3.48Å; A387-F415 PolarHBondContact N-O 2.7Å; F413-F415 HydrophobicContact CB-CE2 3.51Å; F413-F415 HydrophobicContact CB-CZ 3.7Å; F413-F415 HydrophobicContact CD1-CZ 4.27Å; F413-F415 HydrophobicContact CG-CE2 4.5Å; F413-F415 HydrophobicContact CG-CZ 4.41Å
416	P	96.2	Very high	95.8	Very high	59 Å²	59	45.2 Å²	45.2	38%	0.383	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	140.1	165.4	30.3	-33.1	0	0	0	109.8	S418 K438 H442	P416-S418 PolarHBondContact O-N 3.18Å; P416-K438 HydrophobicContact CB-CB 4.25Å; P416-H442 HydrophobicContact CB-CB 4.33Å
417	Y	97	Very high	95.7	Very high	13 Å²	13	43 Å²	43	5%	0.051	21%	0.21	C	C	.	.			trans	-63.1	129.8	176.2	176.2	-123.1	0	0	0	111	I386 A387 G388 F389 C390 M419 A425 D431 K438	I386-Y417 HydrophobicContact CG2-CD2 4.16Å; I386-Y417 HydrophobicContact CG2-CG 4.25Å; A387-Y417 PolarHBondContact O-N 3.28Å; G388-Y417 WeakPolarHBondContact O-CB 3.46Å; F389-Y417 HydrophobicContact CD2-CD1 4.05Å; F389-Y417 AromaticContact CD2-CD2 3.73Å; F389-Y417 HydrophobicContact CD2-CD2 3.73Å; F389-Y417 HydrophobicContact CD2-CE1 4.02Å; F389-Y417 AromaticContact CD2-CE2 3.72Å; F389-Y417 HydrophobicContact CD2-CE2 3.72Å; F389-Y417 AromaticContact CD2-CG 3.91Å; F389-Y417 HydrophobicContact CD2-CG 3.91Å; F389-Y417 AromaticContact CD2-CZ 3.84Å; F389-Y417 HydrophobicContact CE2-CD2 4.26Å; F389-Y417 HydrophobicContact CE2-CE1 4.21Å; F389-Y417 AromaticContact CE2-CE2 3.76Å; F389-Y417 HydrophobicContact CE2-CE2 3.76Å; F389-Y417 AromaticContact CE2-CZ 3.71Å; C390-Y417 WeakPolarHBondContact SG-CE1 3.47Å; Y417-M419 HydrophobicContact CE1-CB 4.19Å; Y417-A425 WeakPolarHBondContact OH-CB 3.33Å; Y417-D431 WeakPolarHBondContact CD1-OD1 3.23Å; Y417-K438 PolarHBondContact O-NZ 2.86Å
418	S	93	Very high	95.6	Very high	37 Å²	37	48.2 Å²	48.2	26%	0.259	23%	0.234	S	C	.	.			trans	-126.2	110.3	173	68.4	0	0	0	0	109.8	P416 R420	P416-S418 PolarHBondContact O-N 3.18Å; S418-R420 PolarHBondContact O-N 3.19Å; S418-R420 PolarHBondContact O-NE 3.01Å; S418-R420 VanDerWaalsContact O-NE 3.16Å
419	M	93.9	Very high	95.6	Very high	42 Å²	42	49.3 Å²	49.3	21%	0.207	23%	0.233	C	C	.	.			trans	-57.5	135.6	178.2	-176.8	172.6	-82.3	0	0	111.2	Y417 Y426 D431	Y417-M419 HydrophobicContact CE1-CB 4.19Å; M419-Y426 HydrophobicContact CG-CD2 4.17Å; M419-Y426 HydrophobicContact SD-CD2 3.99Å; M419-D431 HydrophobicContact CE-CB 3.72Å; M419-D431 HydrophobicContact SD-CB 4.29Å
420	R	92.2	Very high	95.5	Very high	22 Å²	22	54.4 Å²	54.4	8%	0.083	26%	0.264	C	S	.	.			trans	-118.7	132	179.6	-57.9	-63.9	88.5	-174.3	-2	110	D79 E82 I220 S418 T423 Y426	D79-R420 IonicContact OD1-CZ 2.74Å; D79-R420 VanDerWaalsContact OD1-CZ 3.29Å; D79-R420 IonicContact OD1-NH1 3.5Å; D79-R420 PolarHBondContact OD1-NH1 2.82Å; D79-R420 IonicContact OD1-NH2 2.88Å; D79-R420 PolarHBondContact OD1-NH2 3.37Å; E82-R420 IonicContact OE2-NH1 3.71Å; I220-R420 HydrophobicContact CB-CB 4.47Å; S418-R420 PolarHBondContact O-N 3.19Å; S418-R420 PolarHBondContact O-NE 3.01Å; S418-R420 VanDerWaalsContact O-NE 3.16Å; R420-T423 HydrophobicContact CB-CG2 3.95Å; R420-T423 WeakPolarHBondContact O-CB 3.46Å; R420-T423 WeakPolarHBondContact O-CG2 3.35Å; R420-T423 PolarHBondContact O-N 2.74Å; R420-T423 PolarHBondContact O-OG1 3.39Å; R420-Y426 VanDerWaalsContact O-CB 3.27Å; R420-Y426 WeakPolarHBondContact O-CB 3.46Å
421	E	88.9	Confident	95.5	Very high	63 Å²	63	57 Å²	57	29%	0.294	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	148.6	174	-65.5	173.3	-176.4	0	0	111.7	K115 I220 T423 Y426	K115-E421 IonicContact NZ-OE1 3.4Å; K115-E421 PolarHBondContact NZ-OE1 3.3Å; K115-E421 IonicContact NZ-OE2 3.96Å; I220-E421 VanDerWaalsContact CD1-O 3.23Å; I220-E421 WeakPolarHBondContact CD1-O 3.45Å; E421-T423 PolarHBondContact O-N 2.76Å; E421-Y426 HydrophobicContact CG-CE2 4.13Å
422	K	87.4	Confident	95.4	Very high	100 Å²	100	57.8 Å²	57.8	44%	0.435	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	-4.9	179.6	-50	-179.6	179.5	177.1	0	116.3	I220	I220-K422 HydrophobicContact CD1-CB 4.34Å
423	T	94.6	Very high	95.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-78.8	160.9	174.9	64.5	0	0	0	0	110.9	T217 I220 R420 E421 A425 Y426 H427	T217-T423 WeakPolarHBondContact O-CB 3.49Å; I220-T423 HydrophobicContact CB-CG2 4.14Å; I220-T423 HydrophobicContact CD1-CG2 3.86Å; R420-T423 HydrophobicContact CB-CG2 3.95Å; R420-T423 WeakPolarHBondContact O-CB 3.46Å; R420-T423 WeakPolarHBondContact O-CG2 3.35Å; R420-T423 PolarHBondContact O-N 2.74Å; R420-T423 PolarHBondContact O-OG1 3.39Å; E421-T423 PolarHBondContact O-N 2.76Å; T423-A425 VanDerWaalsContact C-N 3.27Å; T423-A425 PolarHBondContact O-N 3.24Å; T423-Y426 WeakPolarHBondContact O-CB 3.38Å; T423-Y426 PolarHBondContact O-N 3.44Å; T423-Y426 PolarHBondContact OG1-N 3.1Å; T423-H427 PolarHBondContact O-CD2 2.59Å; T423-H427 PolarHBondContact O-N 3.45Å
424	F	96.4	Very high	95.5	Very high	63 Å²	63	57 Å²	57	28%	0.276	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-41.9	176.2	-177.2	-87.5	0	0	0	111.1	T217 Y426 H427 H428	T217-F424 HydrophobicContact CG2-CB 4.29Å; T217-F424 HydrophobicContact CG2-CD1 3.55Å; T217-F424 HydrophobicContact CG2-CE1 4.3Å; T217-F424 HydrophobicContact CG2-CG 4.17Å; T217-F424 PolarHBondContact O-N 3.45Å; F424-Y426 VanDerWaalsContact C-N 3.29Å; F424-Y426 PolarHBondContact O-N 3.36Å; F424-H427 PolarHBondContact O-N 2.97Å; F424-H427 VanDerWaalsContact O-N 3.1Å; F424-H428 HydrophobicContact CD1-CB 4.13Å; F424-H428 AromaticContact CD2-CD2 3.29Å; F424-H428 WeakPolarHBondContact CD2-CD2 3.37Å; F424-H428 AromaticContact CD2-NE2 3.89Å; F424-H428 HydrophobicContact CE1-CB 3.58Å; F424-H428 AromaticContact CE1-CD2 3.98Å; F424-H428 AromaticContact CE1-CG 4Å; F424-H428 HydrophobicContact CE2-CB 4.2Å; F424-H428 AromaticContact CE2-CD2 3.11Å; F424-H428 WeakPolarHBondContact CE2-CD2 3.49Å; F424-H428 AromaticContact CE2-CG 3.67Å; F424-H428 AromaticContact CE2-NE2 3.61Å; F424-H428 AromaticContact CG-CD2 3.78Å; F424-H428 HydrophobicContact CZ-CB 3.59Å; F424-H428 AromaticContact CZ-CD2 3.47Å; F424-H428 VanDerWaalsContact CZ-CD2 3.47Å; F424-H428 WeakPolarHBondContact CZ-CD2 3.49Å; F424-H428 AromaticContact CZ-CG 3.54Å; F424-H428 WeakPolarHBondContact O-CB 3.37Å; F424-H428 PolarHBondContact O-CD2 2.78Å; F424-H428 PolarHBondContact O-N 3.32Å
425	A	97.4	Very high	95.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-58.1	-42.2	177.2	0	0	0	0	0	111.5	T217 F389 Y417 T423 H427 H428 L429	T217-A425 WeakPolarHBondContact O-CB 3.39Å; T217-A425 PolarHBondContact O-N 2.84Å; F389-A425 HydrophobicContact CE2-CB 4.42Å; F389-A425 HydrophobicContact CZ-CB 4.44Å; Y417-A425 WeakPolarHBondContact OH-CB 3.33Å; T423-A425 VanDerWaalsContact C-N 3.27Å; T423-A425 PolarHBondContact O-N 3.24Å; A425-H427 VanDerWaalsContact C-N 3.27Å; A425-H427 PolarHBondContact O-N 3.47Å; A425-H428 PolarHBondContact O-N 3.25Å; A425-L429 HydrophobicContact CB-CB 4.39Å; A425-L429 HydrophobicContact CB-CD1 3.92Å; A425-L429 HydrophobicContact CB-CG 4.41Å; A425-L429 CarbonylContact O-C 3.43Å; A425-L429 WeakPolarHBondContact O-CA 3.32Å; A425-L429 WeakPolarHBondContact O-CB 3.26Å; A425-L429 PolarHBondContact O-N 2.84Å
426	Y	96.2	Very high	95.5	Very high	111 Å²	111	66.8 Å²	66.8	44%	0.435	34%	0.336	S	S	.	.	H	α-helix	trans	-61.1	-33.6	176.7	173.8	-99.9	0	0	0	113.9	M419 R420 E421 T423 F424	M419-Y426 HydrophobicContact CG-CD2 4.17Å; M419-Y426 HydrophobicContact SD-CD2 3.99Å; R420-Y426 VanDerWaalsContact O-CB 3.27Å; R420-Y426 WeakPolarHBondContact O-CB 3.46Å; E421-Y426 HydrophobicContact CG-CE2 4.13Å; T423-Y426 WeakPolarHBondContact O-CB 3.38Å; T423-Y426 PolarHBondContact O-N 3.44Å; T423-Y426 PolarHBondContact OG1-N 3.1Å; F424-Y426 VanDerWaalsContact C-N 3.29Å; F424-Y426 PolarHBondContact O-N 3.36Å
427	H	97.1	Very high	95.6	Very high	115 Å²	115	65.3 Å²	65.3	53%	0.532	33%	0.326	S	S	.	.	H	α-helix	trans	-89.7	-23.9	-177.3	-70	-60.4	0	0	0	114.1	T423 F424 A425	T423-H427 PolarHBondContact O-CD2 2.59Å; T423-H427 PolarHBondContact O-N 3.45Å; F424-H427 PolarHBondContact O-N 2.97Å; F424-H427 VanDerWaalsContact O-N 3.1Å; A425-H427 VanDerWaalsContact C-N 3.27Å; A425-H427 PolarHBondContact O-N 3.47Å
428	H	97.2	Very high	95.7	Very high	123 Å²	123	65.4 Å²	65.4	57%	0.569	33%	0.327	S	S	*	.	H	α-helix	trans	-133.8	-10.3	-165	-59.4	-71.4	0	0	0	114.9	F424 A425	F424-H428 HydrophobicContact CD1-CB 4.13Å; F424-H428 AromaticContact CD2-CD2 3.29Å; F424-H428 WeakPolarHBondContact CD2-CD2 3.37Å; F424-H428 AromaticContact CD2-NE2 3.89Å; F424-H428 HydrophobicContact CE1-CB 3.58Å; F424-H428 AromaticContact CE1-CD2 3.98Å; F424-H428 AromaticContact CE1-CG 4Å; F424-H428 HydrophobicContact CE2-CB 4.2Å; F424-H428 AromaticContact CE2-CD2 3.11Å; F424-H428 WeakPolarHBondContact CE2-CD2 3.49Å; F424-H428 AromaticContact CE2-CG 3.67Å; F424-H428 AromaticContact CE2-NE2 3.61Å; F424-H428 AromaticContact CG-CD2 3.78Å; F424-H428 HydrophobicContact CZ-CB 3.59Å; F424-H428 AromaticContact CZ-CD2 3.47Å; F424-H428 VanDerWaalsContact CZ-CD2 3.47Å; F424-H428 WeakPolarHBondContact CZ-CD2 3.49Å; F424-H428 AromaticContact CZ-CG 3.54Å; F424-H428 WeakPolarHBondContact O-CB 3.37Å; F424-H428 PolarHBondContact O-CD2 2.78Å; F424-H428 PolarHBondContact O-N 3.32Å; A425-H428 PolarHBondContact O-N 3.25Å
429	L	97.3	Very high	95.9	Very high	53 Å²	53	70 Å²	70	28%	0.277	34%	0.342	S	S	.	.			trans	-120.3	152.4	178.7	-55.6	179.4	0	0	0	109.8	F389 C390 A425	F389-L429 HydrophobicContact CE1-CD1 4.15Å; F389-L429 HydrophobicContact CZ-CD1 3.78Å; C390-L429 HydrophobicContact CB-CB 3.94Å; C390-L429 HydrophobicContact CB-CD1 4.04Å; A425-L429 HydrophobicContact CB-CB 4.39Å; A425-L429 HydrophobicContact CB-CD1 3.92Å; A425-L429 HydrophobicContact CB-CG 4.41Å; A425-L429 CarbonylContact O-C 3.43Å; A425-L429 WeakPolarHBondContact O-CA 3.32Å; A425-L429 WeakPolarHBondContact O-CB 3.26Å; A425-L429 PolarHBondContact O-N 2.84Å
430	T	96.8	Very high	96.2	Very high	107 Å²	107	72.5 Å²	72.5	66%	0.656	35%	0.349	S	S	*	.			trans	-95.1	133.7	172.6	-55.7	0	0	0	0	108.8	C390 D432	C390-T430 WeakPolarHBondContact CB-O 3.14Å; C390-T430 PolarHBondContact SG-O 2.84Å; T430-D432 VanDerWaalsContact C-N 3.26Å; T430-D432 HydrophobicContact CG2-CB 4.21Å; T430-D432 PolarHBondContact O-N 2.86Å
431	D	96.3	Very high	96.5	Very high	61 Å²	61	71.9 Å²	71.9	33%	0.326	35%	0.347	S	S	.	.			trans	-80.6	77.9	169.7	-162.5	13.6	0	0	0	109.5	Y417 M419 K438	Y417-D431 WeakPolarHBondContact CD1-OD1 3.23Å; M419-D431 HydrophobicContact CE-CB 3.72Å; M419-D431 HydrophobicContact SD-CB 4.29Å; D431-K438 VanDerWaalsContact OD1-CE 3.32Å; D431-K438 WeakPolarHBondContact OD1-CE 3.11Å; D431-K438 IonicContact OD1-NZ 3.48Å; D431-K438 PolarHBondContact OD1-NZ 3.32Å; D431-K438 IonicContact OD2-NZ 2.68Å; D431-K438 PolarHBondContact OD2-NZ 2.88Å
432	D	97.3	Very high	96.9	Very high	91 Å²	91	71.1 Å²	71.1	49%	0.487	34%	0.343	S	S	.	.			trans	-91.2	-14.6	-168.4	58.9	-15.5	0	0	0	114.4	G391 T430 P434	G391-D432 PolarHBondContact N-OD1 3.18Å; T430-D432 VanDerWaalsContact C-N 3.26Å; T430-D432 HydrophobicContact CG2-CB 4.21Å; T430-D432 PolarHBondContact O-N 2.86Å; D432-P434 WeakPolarHBondContact O-CD 3.43Å
433	V	98.4	Very high	97.5	Very high	12 Å²	12	69.9 Å²	69.9	7%	0.073	34%	0.342	C	S	.	.	S	Bend	trans	-76.3	120.9	176.8	-175.4	0	0	0	0	110.2	F389 E392 V437 K438	F389-V433 WeakPolarHBondContact O-CG2 3.26Å; E392-V433 HydrophobicContact CB-CG2 4.41Å; V433-V437 HydrophobicContact CG1-CB 3.96Å; V433-V437 HydrophobicContact CG1-CG1 3.73Å; V433-K438 HydrophobicContact CB-CG 4.23Å; V433-K438 HydrophobicContact CG1-CG 3.81Å; V433-K438 VanDerWaalsContact O-CE 3.24Å; V433-K438 WeakPolarHBondContact O-CE 3.29Å
434	P	98.1	Very high	97.7	Very high	60 Å²	60	73 Å²	73	39%	0.39	36%	0.356	S	S	.	.			trans	-60.9	150.3	-179.6	-24.3	34.4	0	0	0	113.7	D432 E436 V437 K438	D432-P434 WeakPolarHBondContact O-CD 3.43Å; P434-E436 VanDerWaalsContact C-N 3.3Å; P434-E436 VanDerWaalsContact CB-CD 3.41Å; P434-E436 HydrophobicContact CB-CG 4.5Å; P434-E436 WeakPolarHBondContact CB-OE1 3.34Å; P434-E436 PolarHBondContact O-N 2.92Å; P434-V437 HydrophobicContact CB-CB 4.44Å; P434-V437 HydrophobicContact CB-CG2 4.1Å; P434-V437 HydrophobicContact CG-CG2 4.2Å; P434-V437 WeakPolarHBondContact O-CB 3.46Å; P434-V437 PolarHBondContact O-N 3.12Å; P434-K438 WeakPolarHBondContact O-CG 3.47Å; P434-K438 PolarHBondContact O-N 2.7Å
435	I	96.1	Very high	97.8	Very high	140 Å²	140	70 Å²	70	72%	0.718	34%	0.343	S	S	*	.	H	α-helix	trans	-61	-39.5	-173.7	-66.7	169.3	0	0	0	111.7	V437 K438 K439	I435-V437 VanDerWaalsContact C-N 3.32Å; I435-K438 PolarHBondContact O-N 3.22Å; I435-K439 WeakPolarHBondContact O-CB 3.14Å; I435-K439 PolarHBondContact O-N 2.78Å
436	E	98	Very high	97.9	Very high	131 Å²	131	71.8 Å²	71.8	61%	0.612	36%	0.357	S	S	*	.	H	α-helix	trans	-65.2	-35.4	176.2	66.9	-75.6	178.8	0	0	112.4	P434 K439 R440	P434-E436 VanDerWaalsContact C-N 3.3Å; P434-E436 VanDerWaalsContact CB-CD 3.41Å; P434-E436 HydrophobicContact CB-CG 4.5Å; P434-E436 WeakPolarHBondContact CB-OE1 3.34Å; P434-E436 PolarHBondContact O-N 2.92Å; E436-K439 PolarHBondContact O-N 2.85Å; E436-R440 WeakPolarHBondContact O-CB 3.47Å; E436-R440 PolarHBondContact O-N 3.16Å
437	V	98.7	Very high	98	Very high	28 Å²	28	72.5 Å²	72.5	17%	0.17	37%	0.366	C	S	.	.	H	α-helix	trans	-69.8	-46.2	174.8	176.9	0	0	0	0	110.1	V433 P434 I435 K439 R440 R441	V433-V437 HydrophobicContact CG1-CB 3.96Å; V433-V437 HydrophobicContact CG1-CG1 3.73Å; P434-V437 HydrophobicContact CB-CB 4.44Å; P434-V437 HydrophobicContact CB-CG2 4.1Å; P434-V437 HydrophobicContact CG-CG2 4.2Å; P434-V437 WeakPolarHBondContact O-CB 3.46Å; P434-V437 PolarHBondContact O-N 3.12Å; I435-V437 VanDerWaalsContact C-N 3.32Å; V437-K439 VanDerWaalsContact C-N 3.26Å; V437-K439 PolarHBondContact O-N 3.23Å; V437-R440 PolarHBondContact O-N 3.38Å; V437-R441 HydrophobicContact CG1-CG 4.3Å; V437-R441 WeakPolarHBondContact O-CB 3Å; V437-R441 WeakPolarHBondContact O-CG 3.43Å; V437-R441 PolarHBondContact O-N 3.26Å
438	K	98.4	Very high	98	Very high	14 Å²	14	68.5 Å²	68.5	6%	0.061	35%	0.348	C	S	.	.	H	α-helix	trans	-55	-43.6	174	-66.6	-175.8	176.5	-172.5	0	112	G388 P416 Y417 D431 V433 P434 I435 H442	G388-K438 VanDerWaalsContact O-CE 3.26Å; G388-K438 WeakPolarHBondContact O-CE 3.43Å; P416-K438 HydrophobicContact CB-CB 4.25Å; Y417-K438 PolarHBondContact O-NZ 2.86Å; D431-K438 VanDerWaalsContact OD1-CE 3.32Å; D431-K438 WeakPolarHBondContact OD1-CE 3.11Å; D431-K438 IonicContact OD1-NZ 3.48Å; D431-K438 PolarHBondContact OD1-NZ 3.32Å; D431-K438 IonicContact OD2-NZ 2.68Å; D431-K438 PolarHBondContact OD2-NZ 2.88Å; V433-K438 HydrophobicContact CB-CG 4.23Å; V433-K438 HydrophobicContact CG1-CG 3.81Å; V433-K438 VanDerWaalsContact O-CE 3.24Å; V433-K438 WeakPolarHBondContact O-CE 3.29Å; P434-K438 WeakPolarHBondContact O-CG 3.47Å; P434-K438 PolarHBondContact O-N 2.7Å; I435-K438 PolarHBondContact O-N 3.22Å; K438-H442 VanDerWaalsContact O-CB 3.23Å; K438-H442 WeakPolarHBondContact O-CB 3.45Å; K438-H442 PolarHBondContact O-N 2.77Å
439	K	98	Very high	98.1	Very high	135 Å²	135	62.9 Å²	62.9	59%	0.587	32%	0.323	S	S	*	.	H	α-helix	trans	-64.7	-50.6	178.7	-175.4	-175.9	175.7	-169.9	0	111.2	I435 E436 V437 R441 H442 D443	I435-K439 WeakPolarHBondContact O-CB 3.14Å; I435-K439 PolarHBondContact O-N 2.78Å; E436-K439 PolarHBondContact O-N 2.85Å; V437-K439 VanDerWaalsContact C-N 3.26Å; V437-K439 PolarHBondContact O-N 3.23Å; K439-R441 PolarHBondContact O-N 3.31Å; K439-H442 WeakPolarHBondContact O-CB 3.44Å; K439-H442 PolarHBondContact O-N 3.02Å; K439-D443 VanDerWaalsContact O-CG 3.22Å; K439-D443 PolarHBondContact O-N 3.47Å
440	R	98.7	Very high	98.2	Very high	93 Å²	93	67.7 Å²	67.7	35%	0.351	34%	0.337	S	S	.	.	H	α-helix	trans	-55.5	-50.7	177.5	175.2	178.1	59.4	79.7	-3.6	111.2	E394 E436 V437 H442 D443 E444	E394-R440 VanDerWaalsContact CD-NH2 3.32Å; E394-R440 IonicContact OE1-CZ 2.89Å; E394-R440 IonicContact OE1-NH2 2.66Å; E394-R440 PolarHBondContact OE1-NH2 3.14Å; E394-R440 IonicContact OE2-CZ 2.82Å; E394-R440 IonicContact OE2-NH1 3.39Å; E394-R440 PolarHBondContact OE2-NH1 2.95Å; E394-R440 IonicContact OE2-NH2 2.76Å; E394-R440 PolarHBondContact OE2-NH2 3.49Å; E436-R440 WeakPolarHBondContact O-CB 3.47Å; E436-R440 PolarHBondContact O-N 3.16Å; V437-R440 PolarHBondContact O-N 3.38Å; R440-H442 PolarHBondContact O-N 2.6Å; R440-D443 PolarHBondContact O-N 3.28Å; R440-D443 VanDerWaalsContact O-N 3.13Å; R440-E444 WeakPolarHBondContact CD-OE1 3.35Å; R440-E444 WeakPolarHBondContact CG-OE1 3.4Å; R440-E444 IonicContact CZ-OE1 3.69Å; R440-E444 IonicContact NH1-OE1 3.63Å; R440-E444 PolarHBondContact NH1-OE1 3.26Å; R440-E444 IonicContact NH1-OE2 2.61Å; R440-E444 WeakPolarHBondContact O-CG 3.46Å; R440-E444 PolarHBondContact O-N 3.34Å
441	R	98.8	Very high	98.3	Very high	10 Å²	10	66.6 Å²	66.6	4%	0.038	33%	0.328	C	S	.	.	H	α-helix	trans	-63	-40.3	179.7	-69.2	-174.7	-175.1	169.2	5.4	112.8	A387 E392 E394 H397 V437 K439 D443 E444 L445	A387-R441 HydrophobicContact CB-CB 3.99Å; E392-R441 PolarHBondContact O-NH1 3.49Å; E392-R441 PolarHBondContact O-NH2 2.84Å; E392-R441 VanDerWaalsContact OE1-CD 3.26Å; E392-R441 WeakPolarHBondContact OE1-CD 3.34Å; E392-R441 IonicContact OE1-CZ 3.29Å; E392-R441 IonicContact OE1-NE 2.85Å; E392-R441 IonicContact OE1-NH1 2.79Å; E392-R441 PolarHBondContact OE1-NH1 3.02Å; E394-R441 IonicContact OE1-CZ 3.57Å; E394-R441 IonicContact OE1-NE 2.79Å; E394-R441 PolarHBondContact OE1-NE 2.77Å; E394-R441 IonicContact OE1-NH2 2.81Å; E394-R441 PolarHBondContact OE1-NH2 2.52Å; H397-R441 HydrophobicContact CB-CG 4.43Å; H397-R441 VanDerWaalsContact CE1-CB 3.43Å; H397-R441 WeakPolarHBondContact CE1-CB 3.47Å; H397-R441 PolarHBondContact CE1-O 2.94Å; V437-R441 HydrophobicContact CG1-CG 4.3Å; V437-R441 WeakPolarHBondContact O-CB 3Å; V437-R441 WeakPolarHBondContact O-CG 3.43Å; V437-R441 PolarHBondContact O-N 3.26Å; K439-R441 PolarHBondContact O-N 3.31Å; R441-D443 VanDerWaalsContact C-N 3.33Å; R441-D443 PolarHBondContact O-N 3.04Å; R441-E444 PolarHBondContact O-N 3.36Å; R441-L445 WeakPolarHBondContact O-CG 3.13Å; R441-L445 PolarHBondContact O-N 2.92Å
442	H	98.6	Very high	98.4	Very high	46 Å²	46	65 Å²	65	21%	0.213	32%	0.318	C	S	.	.	H	α-helix	trans	-58.3	-45.3	172.3	162	-99.7	0	0	0	111.8	A387 C414 P416 K438 K439 R440 L445 A446	A387-H442 HydrophobicContact CB-CB 3.94Å; C414-H442 PolarHBondContact O-CD2 3.4Å; C414-H442 PolarHBondContact O-NE2 2.93Å; P416-H442 HydrophobicContact CB-CB 4.33Å; K438-H442 VanDerWaalsContact O-CB 3.23Å; K438-H442 WeakPolarHBondContact O-CB 3.45Å; K438-H442 PolarHBondContact O-N 2.77Å; K439-H442 WeakPolarHBondContact O-CB 3.44Å; K439-H442 PolarHBondContact O-N 3.02Å; R440-H442 PolarHBondContact O-N 2.6Å; H442-L445 PolarHBondContact O-N 3.13Å; H442-A446 VanDerWaalsContact O-CB 3.31Å; H442-A446 WeakPolarHBondContact O-CB 3.49Å; H442-A446 PolarHBondContact O-N 3.18Å
443	D	98.7	Very high	98.4	Very high	75 Å²	75	60.7 Å²	60.7	40%	0.401	30%	0.295	S	S	.	.	H	α-helix	trans	-67.6	-37.5	-179.2	-65	-14.6	0	0	0	111.2	K439 R440 R441 A446 M447	K439-D443 VanDerWaalsContact O-CG 3.22Å; K439-D443 PolarHBondContact O-N 3.47Å; R440-D443 PolarHBondContact O-N 3.28Å; R440-D443 VanDerWaalsContact O-N 3.13Å; R441-D443 VanDerWaalsContact C-N 3.33Å; R441-D443 PolarHBondContact O-N 3.04Å; D443-A446 PolarHBondContact O-N 3.32Å; D443-M447 WeakPolarHBondContact O-CB 3.44Å; D443-M447 PolarHBondContact O-N 3.18Å
444	E	98.9	Very high	98.4	Very high	64 Å²	64	62.8 Å²	62.8	30%	0.299	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-47.4	173	-70.9	168.5	-166.7	0	0	111.9	H397 L401 R440 R441 A446 M447 I448	H397-E444 IonicContact CD2-OE2 3.56Å; H397-E444 PolarHBondContact CD2-OE2 3.2Å; H397-E444 IonicContact CE1-OE2 2.85Å; H397-E444 IonicContact NE2-OE2 3.22Å; H397-E444 PolarHBondContact NE2-OE2 3.3Å; L401-E444 HydrophobicContact CD2-CB 4.2Å; R440-E444 WeakPolarHBondContact CD-OE1 3.35Å; R440-E444 WeakPolarHBondContact CG-OE1 3.4Å; R440-E444 IonicContact CZ-OE1 3.69Å; R440-E444 IonicContact NH1-OE1 3.63Å; R440-E444 PolarHBondContact NH1-OE1 3.26Å; R440-E444 IonicContact NH1-OE2 2.61Å; R440-E444 WeakPolarHBondContact O-CG 3.46Å; R440-E444 PolarHBondContact O-N 3.34Å; R441-E444 PolarHBondContact O-N 3.36Å; E444-A446 VanDerWaalsContact C-N 3.34Å; E444-A446 PolarHBondContact O-N 3.4Å; E444-M447 PolarHBondContact O-N 2.81Å; E444-I448 WeakPolarHBondContact O-CG2 3.24Å; E444-I448 PolarHBondContact O-N 2.79Å
445	L	98.9	Very high	98.5	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-42.1	174.6	-71.8	165.7	0	0	0	111.8	F385 A387 L401 I404 C414 R441 H442 M447 I448 S449	F385-L445 HydrophobicContact CB-CD1 4.26Å; F385-L445 HydrophobicContact CD1-CD2 4.44Å; A387-L445 HydrophobicContact CB-CD1 3.7Å; L401-L445 HydrophobicContact CD2-CD2 3.93Å; L401-L445 HydrophobicContact CD2-CG 4.31Å; I404-L445 HydrophobicContact CD1-CD2 3.58Å; C414-L445 HydrophobicContact CB-CB 4.04Å; R441-L445 WeakPolarHBondContact O-CG 3.13Å; R441-L445 PolarHBondContact O-N 2.92Å; H442-L445 PolarHBondContact O-N 3.13Å; L445-M447 VanDerWaalsContact C-N 3.33Å; L445-I448 WeakPolarHBondContact O-CG2 3.39Å; L445-S449 WeakPolarHBondContact O-CB 3.49Å; L445-S449 PolarHBondContact O-N 2.85Å
446	A	98.6	Very high	98.5	Very high	36 Å²	36	58.6 Å²	58.6	30%	0.298	28%	0.277	S	S	.	.	H	α-helix	trans	-65.5	-38.1	178.3	0	0	0	0	0	111.6	H442 D443 E444 R450	H442-A446 VanDerWaalsContact O-CB 3.31Å; H442-A446 WeakPolarHBondContact O-CB 3.49Å; H442-A446 PolarHBondContact O-N 3.18Å; D443-A446 PolarHBondContact O-N 3.32Å; E444-A446 VanDerWaalsContact C-N 3.34Å; E444-A446 PolarHBondContact O-N 3.4Å; A446-R450 VanDerWaalsContact O-CB 3.27Å; A446-R450 WeakPolarHBondContact O-CB 3.49Å; A446-R450 PolarHBondContact O-N 3.27Å
447	M	98.7	Very high	98.5	Very high	126 Å²	126	52.6 Å²	52.6	62%	0.621	25%	0.249	S	C	*	.	H	α-helix	trans	-65.5	-51.1	178.1	-172.9	179.9	-62.1	0	0	111.6	D443 E444 L445 S449 R450 N451	D443-M447 WeakPolarHBondContact O-CB 3.44Å; D443-M447 PolarHBondContact O-N 3.18Å; E444-M447 PolarHBondContact O-N 2.81Å; L445-M447 VanDerWaalsContact C-N 3.33Å; M447-S449 PolarHBondContact O-N 2.61Å; M447-R450 PolarHBondContact O-N 3.41Å; M447-N451 VanDerWaalsContact O-CG 3.32Å; M447-N451 PolarHBondContact O-N 2.66Å; M447-N451 PolarHBondContact O-OD1 3.32Å
448	I	98.6	Very high	98.5	Very high	31 Å²	31	56 Å²	56	16%	0.159	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-39.6	179.6	-166.1	168	0	0	0	112	L401 I404 E405 E444 L445 R450 N451 K452	L401-I448 HydrophobicContact CB-CD1 4.26Å; L401-I448 HydrophobicContact CD2-CG2 3.74Å; L401-I448 WeakPolarHBondContact O-CD1 3.42Å; I404-I448 HydrophobicContact CB-CG2 4.21Å; I404-I448 HydrophobicContact CD1-CG2 3.92Å; I404-I448 HydrophobicContact CG2-CG1 4.27Å; I404-I448 HydrophobicContact CG2-CG2 3.97Å; E405-I448 HydrophobicContact CB-CD1 4.06Å; E444-I448 WeakPolarHBondContact O-CG2 3.24Å; E444-I448 PolarHBondContact O-N 2.79Å; L445-I448 WeakPolarHBondContact O-CG2 3.39Å; I448-R450 VanDerWaalsContact C-N 3.33Å; I448-R450 PolarHBondContact O-N 2.76Å; I448-N451 PolarHBondContact O-N 3.19Å; I448-K452 PolarHBondContact O-N 3.19Å
449	S	98.5	Very high	98.4	Very high	5 Å²	5	62.7 Å²	62.7	4%	0.035	29%	0.293	C	S	.	.	H	α-helix	trans	-55.4	-48	171.9	169.2	0	0	0	0	111.3	C412 L445 M447 N451 K452 S453	C412-S449 VanDerWaalsContact CB-OG 3.26Å; C412-S449 WeakPolarHBondContact CB-OG 3.37Å; C412-S449 PolarHBondContact N-OG 2.97Å; C412-S449 VanDerWaalsContact N-OG 3.12Å; C412-S449 PolarHBondContact O-OG 3.3Å; L445-S449 WeakPolarHBondContact O-CB 3.49Å; L445-S449 PolarHBondContact O-N 2.85Å; M447-S449 PolarHBondContact O-N 2.61Å; S449-N451 VanDerWaalsContact C-N 3.33Å; S449-N451 PolarHBondContact O-N 2.79Å; S449-K452 PolarHBondContact O-N 3.03Å; S449-S453 WeakPolarHBondContact O-CB 3.35Å; S449-S453 PolarHBondContact O-N 3.46Å; S449-S453 PolarHBondContact O-OG 3.07Å
450	R	98.5	Very high	98.4	Very high	154 Å²	154	57 Å²	57	58%	0.581	27%	0.268	S	S	*	.	H	α-helix	trans	-62.8	-39.1	179.1	-175.4	-180	174.5	154.3	-2.4	112.3	A446 M447 I448 L454 S527	A446-R450 VanDerWaalsContact O-CB 3.27Å; A446-R450 WeakPolarHBondContact O-CB 3.49Å; A446-R450 PolarHBondContact O-N 3.27Å; M447-R450 PolarHBondContact O-N 3.41Å; I448-R450 VanDerWaalsContact C-N 3.33Å; I448-R450 PolarHBondContact O-N 2.76Å; R450-L454 WeakPolarHBondContact O-CB 3.43Å; R450-L454 PolarHBondContact O-N 3.18Å; R450-S527 WeakPolarHBondContact CG-OG 3.39Å; R450-S527 PolarHBondContact NE-OG 2.96Å; R450-S527 WeakPolarHBondContact O-CB 3.44Å
451	N	98.7	Very high	98.4	Very high	84 Å²	84	56.2 Å²	56.2	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-65.2	-48.4	177.4	-68	-10.6	0	0	0	110.8	M447 I448 S449 S453 L454 E455	M447-N451 VanDerWaalsContact O-CG 3.32Å; M447-N451 PolarHBondContact O-N 2.66Å; M447-N451 PolarHBondContact O-OD1 3.32Å; I448-N451 PolarHBondContact O-N 3.19Å; S449-N451 VanDerWaalsContact C-N 3.33Å; S449-N451 PolarHBondContact O-N 2.79Å; N451-S453 VanDerWaalsContact C-N 3.34Å; N451-S453 PolarHBondContact O-N 3.31Å; N451-L454 WeakPolarHBondContact O-CB 3.36Å; N451-L454 PolarHBondContact O-N 3.31Å; N451-L454 VanDerWaalsContact O-N 3.12Å; N451-E455 WeakPolarHBondContact O-CG 3.34Å; N451-E455 PolarHBondContact O-N 3.32Å
452	K	98.5	Very high	98.2	Very high	27 Å²	27	56.3 Å²	56.3	12%	0.117	27%	0.274	C	S	.	.	H	α-helix	trans	-65.3	-35.5	176.7	-65.6	-57.6	176.5	-157.6	0	113.2	I404 I448 S449 L454 E455 F456	I404-K452 HydrophobicContact CG2-CG 4.34Å; I448-K452 PolarHBondContact O-N 3.19Å; S449-K452 PolarHBondContact O-N 3.03Å; K452-L454 VanDerWaalsContact C-N 3.33Å; K452-L454 PolarHBondContact O-N 3.41Å; K452-E455 WeakPolarHBondContact CD-OE2 3.2Å; K452-E455 VanDerWaalsContact NZ-CD 3.28Å; K452-E455 IonicContact NZ-OE1 2.65Å; K452-E455 PolarHBondContact NZ-OE1 3.27Å; K452-E455 IonicContact NZ-OE2 3.58Å; K452-E455 PolarHBondContact NZ-OE2 3.15Å; K452-E455 PolarHBondContact O-N 2.81Å; K452-F456 WeakPolarHBondContact O-CB 3.34Å; K452-F456 PolarHBondContact O-N 2.9Å
453	S	98.6	Very high	98	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.014	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-40.7	171.8	-52.7	0	0	0	0	111.7	S410 S449 N451 N457 S527	S410-S453 WeakPolarHBondContact O-CA 3.35Å; S410-S453 WeakPolarHBondContact O-CB 3.45Å; S410-S453 PolarHBondContact O-OG 3.44Å; S449-S453 WeakPolarHBondContact O-CB 3.35Å; S449-S453 PolarHBondContact O-N 3.46Å; S449-S453 PolarHBondContact O-OG 3.07Å; N451-S453 VanDerWaalsContact C-N 3.34Å; N451-S453 PolarHBondContact O-N 3.31Å; S453-N457 WeakPolarHBondContact O-CB 3.23Å; S453-N457 VanDerWaalsContact O-CG 3.24Å; S453-N457 PolarHBondContact O-N 3.14Å; S453-N457 PolarHBondContact O-ND2 2.8Å; S453-S527 WeakPolarHBondContact CB-O 3.43Å
454	L	98.7	Very high	97.9	Very high	56 Å²	56	51.5 Å²	51.5	29%	0.293	25%	0.25	S	C	.	.	H	α-helix	trans	-66.5	-47.5	175.7	178.2	63	0	0	0	111.4	R450 N451 K452 F456 N457 Q458	R450-L454 WeakPolarHBondContact O-CB 3.43Å; R450-L454 PolarHBondContact O-N 3.18Å; N451-L454 WeakPolarHBondContact O-CB 3.36Å; N451-L454 PolarHBondContact O-N 3.31Å; N451-L454 VanDerWaalsContact O-N 3.12Å; K452-L454 VanDerWaalsContact C-N 3.33Å; K452-L454 PolarHBondContact O-N 3.41Å; L454-F456 VanDerWaalsContact C-N 3.33Å; L454-F456 PolarHBondContact O-N 3.14Å; L454-N457 PolarHBondContact O-N 2.97Å; L454-Q458 HydrophobicContact CD1-CG 3.95Å; L454-Q458 HydrophobicContact CG-CG 4.23Å; L454-Q458 WeakPolarHBondContact O-CB 3.12Å; L454-Q458 VanDerWaalsContact O-CG 3.31Å; L454-Q458 WeakPolarHBondContact O-CG 3.3Å; L454-Q458 PolarHBondContact O-N 2.71Å
455	E	98.4	Very high	97.7	Very high	78 Å²	78	49.1 Å²	49.1	36%	0.364	24%	0.239	S	C	.	.	H	α-helix	trans	-56.6	-47.2	176.6	-71	172.9	-147.9	0	0	111.1	N451 K452 N457 Q458 K459	N451-E455 WeakPolarHBondContact O-CG 3.34Å; N451-E455 PolarHBondContact O-N 3.32Å; K452-E455 WeakPolarHBondContact CD-OE2 3.2Å; K452-E455 VanDerWaalsContact NZ-CD 3.28Å; K452-E455 IonicContact NZ-OE1 2.65Å; K452-E455 PolarHBondContact NZ-OE1 3.27Å; K452-E455 IonicContact NZ-OE2 3.58Å; K452-E455 PolarHBondContact NZ-OE2 3.15Å; K452-E455 PolarHBondContact O-N 2.81Å; E455-N457 PolarHBondContact O-N 3Å; E455-Q458 PolarHBondContact O-N 3.08Å; E455-K459 WeakPolarHBondContact O-CG 3.47Å; E455-K459 PolarHBondContact O-N 2.79Å
456	F	97.6	Very high	97.6	Very high	34 Å²	34	49.5 Å²	49.5	15%	0.149	24%	0.241	C	C	.	.	H	α-helix	trans	-58.6	-47.5	176.4	180	-87.9	0	0	0	111.5	S380 S410 K452 L454 K459 Q460 Y486	S380-F456 WeakPolarHBondContact OG-CZ 3.22Å; S410-F456 VanDerWaalsContact CB-CD1 3.46Å; K452-F456 WeakPolarHBondContact O-CB 3.34Å; K452-F456 PolarHBondContact O-N 2.9Å; L454-F456 VanDerWaalsContact C-N 3.33Å; L454-F456 PolarHBondContact O-N 3.14Å; F456-K459 PolarHBondContact O-N 3.49Å; F456-Q460 HydrophobicContact CE1-CG 4.49Å; F456-Q460 WeakPolarHBondContact O-CG 3.07Å; F456-Q460 PolarHBondContact O-NE2 3.33Å; F456-Y486 HydrophobicContact CE1-CD2 4.01Å; F456-Y486 HydrophobicContact CE1-CG 4.3Å; F456-Y486 HydrophobicContact CZ-CD2 4.04Å; F456-Y486 HydrophobicContact CZ-CE2 4.28Å; F456-Y486 HydrophobicContact CZ-CG 4.19Å
457	N	98.4	Very high	97.6	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-69.9	-34.6	-178.6	-74.5	-18.2	0	0	0	112.6	S453 L454 E455 K459 Q460 A525 T526 L530	S453-N457 WeakPolarHBondContact O-CB 3.23Å; S453-N457 VanDerWaalsContact O-CG 3.24Å; S453-N457 PolarHBondContact O-N 3.14Å; S453-N457 PolarHBondContact O-ND2 2.8Å; L454-N457 PolarHBondContact O-N 2.97Å; E455-N457 PolarHBondContact O-N 3Å; N457-K459 VanDerWaalsContact C-N 3.32Å; N457-K459 PolarHBondContact O-N 3.26Å; N457-Q460 VanDerWaalsContact O-CB 3.26Å; N457-Q460 WeakPolarHBondContact O-CB 3.26Å; N457-Q460 PolarHBondContact O-N 3.07Å; N457-A525 HydrophobicContact CB-CB 3.93Å; N457-A525 WeakPolarHBondContact O-CB 3.46Å; N457-T526 WeakPolarHBondContact CB-O 3.49Å; N457-T526 PolarHBondContact ND2-O 3.2Å; N457-L530 HydrophobicContact CB-CD2 3.73Å
458	Q	98.4	Very high	97.5	Very high	101 Å²	101	41.8 Å²	41.8	47%	0.472	20%	0.197	S	C	.	.	H	α-helix	trans	-64.4	-36.9	175.7	-79.1	175.6	-33.2	0	0	111.9	L454 E455 Q460 I461 A525	L454-Q458 HydrophobicContact CD1-CG 3.95Å; L454-Q458 HydrophobicContact CG-CG 4.23Å; L454-Q458 WeakPolarHBondContact O-CB 3.12Å; L454-Q458 VanDerWaalsContact O-CG 3.31Å; L454-Q458 WeakPolarHBondContact O-CG 3.3Å; L454-Q458 PolarHBondContact O-N 2.71Å; E455-Q458 PolarHBondContact O-N 3.08Å; Q458-Q460 PolarHBondContact O-N 2.91Å; Q458-Q460 VanDerWaalsContact O-N 3.13Å; Q458-I461 WeakPolarHBondContact O-CB 3.31Å; Q458-I461 WeakPolarHBondContact O-CG1 3.43Å; Q458-I461 PolarHBondContact O-N 3.06Å; Q458-A525 HydrophobicContact CG-CB 4.31Å
459	K	96.8	Very high	97.5	Very high	154 Å²	154	40.3 Å²	40.3	67%	0.67	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-15.8	172.9	-69.4	174.3	-178.5	-178.2	0	113.4	E455 F456 N457	E455-K459 WeakPolarHBondContact O-CG 3.47Å; E455-K459 PolarHBondContact O-N 2.79Å; F456-K459 PolarHBondContact O-N 3.49Å; N457-K459 VanDerWaalsContact C-N 3.32Å; N457-K459 PolarHBondContact O-N 3.26Å
460	Q	96.7	Very high	97.2	Very high	14 Å²	14	41.7 Å²	41.7	7%	0.065	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.7	175.9	-48.8	-48	-53.7	0	0	112.7	F456 N457 Q458 G462 T463 I522 L530	F456-Q460 HydrophobicContact CE1-CG 4.49Å; F456-Q460 WeakPolarHBondContact O-CG 3.07Å; F456-Q460 PolarHBondContact O-NE2 3.33Å; N457-Q460 VanDerWaalsContact O-CB 3.26Å; N457-Q460 WeakPolarHBondContact O-CB 3.26Å; N457-Q460 PolarHBondContact O-N 3.07Å; Q458-Q460 PolarHBondContact O-N 2.91Å; Q458-Q460 VanDerWaalsContact O-N 3.13Å; Q460-G462 PolarHBondContact O-N 3.35Å; Q460-T463 WeakPolarHBondContact O-CB 3.49Å; Q460-T463 WeakPolarHBondContact O-CG2 3.46Å; Q460-T463 PolarHBondContact O-N 3.32Å; Q460-T463 VanDerWaalsContact O-N 3.08Å; Q460-T463 PolarHBondContact O-OG1 3.49Å; Q460-I522 HydrophobicContact CB-CG2 4.33Å; Q460-I522 VanDerWaalsContact O-CB 3.3Å; Q460-I522 WeakPolarHBondContact O-CB 3.49Å; Q460-L530 HydrophobicContact CB-CD1 4.28Å; Q460-L530 HydrophobicContact CB-CD2 4.34Å; Q460-L530 HydrophobicContact CG-CD1 4.47Å
461	I	98	Very high	96.9	Very high	78 Å²	78	34.6 Å²	34.6	40%	0.4	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	131	-179.3	-62.8	173.3	0	0	0	109.7	Q458 T463 I522 A525	Q458-I461 WeakPolarHBondContact O-CB 3.31Å; Q458-I461 WeakPolarHBondContact O-CG1 3.43Å; Q458-I461 PolarHBondContact O-N 3.06Å; I461-T463 VanDerWaalsContact C-N 3.32Å; I461-I522 HydrophobicContact CG1-CG2 4.37Å; I461-A525 HydrophobicContact CD1-CB 3.97Å; I461-A525 HydrophobicContact CG1-CB 4.09Å
462	G	95.9	Very high	96.5	Very high	12 Å²	12	33.2 Å²	33.2	12%	0.124	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	1.6	-176.8	0	0	0	0	0	114.7	Q460 I522 K555	Q460-G462 PolarHBondContact O-N 3.35Å; G462-I522 PolarHBondContact N-O 3.23Å; G462-K555 PolarHBondContact O-NZ 3.01Å
463	T	94.8	Very high	96.1	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.031	16%	0.164	C	C	.	.			trans	-85.7	152.8	170.9	68.5	0	0	0	0	111	Q460 I461 Q465 E521 I522 N552 I556	Q460-T463 WeakPolarHBondContact O-CB 3.49Å; Q460-T463 WeakPolarHBondContact O-CG2 3.46Å; Q460-T463 PolarHBondContact O-N 3.32Å; Q460-T463 VanDerWaalsContact O-N 3.08Å; Q460-T463 PolarHBondContact O-OG1 3.49Å; I461-T463 VanDerWaalsContact C-N 3.32Å; T463-Q465 PolarHBondContact OG1-NE2 2.8Å; T463-E521 WeakPolarHBondContact O-CA 3.42Å; T463-I522 PolarHBondContact O-N 2.87Å; T463-N552 WeakPolarHBondContact CA-OD1 3.09Å; T463-N552 VanDerWaalsContact CB-OD1 3.31Å; T463-N552 WeakPolarHBondContact CB-OD1 3.18Å; T463-I556 HydrophobicContact CG2-CD1 4.05Å; T463-I556 HydrophobicContact CG2-CG1 4.42Å
464	I	95.6	Very high	95.4	Very high	14 Å²	14	44.2 Å²	44.2	7%	0.072	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.8	174.4	-55.5	-176.4	0	0	0	108.3	V519 L535 F543 W548 V551 N552	I464-V519 HydrophobicContact CG2-CG1 3.32Å; I464-L535 HydrophobicContact CD1-CD1 4.17Å; I464-L535 HydrophobicContact CG1-CD1 4.44Å; I464-L535 HydrophobicContact CG2-CD1 4.07Å; I464-F543 HydrophobicContact CG2-CE2 4.21Å; I464-W548 HydrophobicContact CD1-CE3 3.76Å; I464-W548 HydrophobicContact CD1-CZ3 4.13Å; I464-W548 HydrophobicContact CG2-CB 4.32Å; I464-W548 HydrophobicContact CG2-CD2 4.47Å; I464-W548 HydrophobicContact CG2-CE3 3.94Å; I464-V551 HydrophobicContact CD1-CB 3.99Å; I464-V551 HydrophobicContact CD1-CG1 3.87Å; I464-V551 HydrophobicContact CD1-CG2 4.25Å; I464-V551 HydrophobicContact CG1-CG1 4.44Å; I464-N552 PolarHBondContact N-OD1 3.44Å; I464-N552 PolarHBondContact O-ND2 3.28Å; I464-N552 PolarHBondContact O-OD1 3.38Å
465	Q	95.6	Very high	94.9	Very high	15 Å²	15	52.9 Å²	52.9	7%	0.07	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.8	-172.1	-57.5	-170.9	-1.6	0	0	111.9	T463 N484 V520 I522	T463-Q465 PolarHBondContact OG1-NE2 2.8Å; Q465-N484 PolarHBondContact OE1-ND2 3.03Å; Q465-V520 PolarHBondContact N-O 3.14Å; Q465-V520 PolarHBondContact O-N 2.85Å; Q465-I522 HydrophobicContact CG-CD1 4.44Å; Q465-I522 HydrophobicContact CG-CG1 4Å
466	I	95.8	Very high	94.4	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.046	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.3	171.6	-167.6	86.1	0	0	0	110.6	R312 Y517 V519 L540 F543	R312-I466 PolarHBondContact NH2-O 2.94Å; R312-I466 VanDerWaalsContact NH2-O 3.13Å; I466-Y517 HydrophobicContact CG1-CD1 4.02Å; I466-Y517 HydrophobicContact CG1-CG 4.44Å; I466-V519 HydrophobicContact CD1-CG2 4.21Å; I466-L540 HydrophobicContact CG1-CD1 4.36Å; I466-L540 HydrophobicContact CG2-CD1 3.86Å; I466-F543 HydrophobicContact CB-CB 4.26Å; I466-F543 HydrophobicContact CB-CD1 3.6Å; I466-F543 HydrophobicContact CB-CD2 4.04Å; I466-F543 HydrophobicContact CB-CE1 3.87Å; I466-F543 HydrophobicContact CB-CE2 4.29Å; I466-F543 HydrophobicContact CB-CG 3.68Å; I466-F543 HydrophobicContact CB-CZ 4.21Å; I466-F543 HydrophobicContact CD1-CB 3.64Å; I466-F543 HydrophobicContact CD1-CD2 4.16Å; I466-F543 HydrophobicContact CD1-CG 3.88Å; I466-F543 HydrophobicContact CG1-CB 4.27Å; I466-F543 HydrophobicContact CG1-CD1 4.45Å; I466-F543 HydrophobicContact CG1-CG 4.23Å; I466-F543 HydrophobicContact CG2-CD1 3.59Å; I466-F543 HydrophobicContact CG2-CE1 3.75Å; I466-F543 HydrophobicContact CG2-CG 4.2Å; I466-F543 HydrophobicContact CG2-CZ 4.47Å
467	V	98.2	Very high	93.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.8	-177.8	-179	0	0	0	0	110	R483 N484 V490 F492 Y517 V518 V520	V467-R483 WeakPolarHBondContact CA-O 3.36Å; V467-N484 HydrophobicContact CG2-CB 4.31Å; V467-V490 HydrophobicContact CG1-CB 4.17Å; V467-V490 HydrophobicContact CG1-CG2 4.43Å; V467-V490 HydrophobicContact CG2-CB 3.96Å; V467-V490 HydrophobicContact CG2-CG1 4.21Å; V467-V490 HydrophobicContact CG2-CG2 3.77Å; V467-F492 HydrophobicContact CB-CE1 4.23Å; V467-F492 HydrophobicContact CG1-CE1 3.81Å; V467-F492 HydrophobicContact CG1-CZ 4.48Å; V467-Y517 WeakPolarHBondContact O-CA 3.04Å; V467-V518 PolarHBondContact N-O 3.18Å; V467-V518 PolarHBondContact O-N 2.91Å; V467-V520 HydrophobicContact CB-CG2 4.12Å; V467-V520 HydrophobicContact CG2-CB 4.07Å; V467-V520 HydrophobicContact CG2-CG2 3.88Å
468	L	98	Very high	93.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117	169.8	177.5	61.2	0	0	0	108.8	T203 K249 E250 G482 R483 Y517	T203-L468 HydrophobicContact CG2-CD2 4.01Å; K249-L468 HydrophobicContact CB-CD1 3.7Å; K249-L468 HydrophobicContact CB-CD2 3.9Å; K249-L468 HydrophobicContact CB-CG 4.48Å; K249-L468 HydrophobicContact CG-CD1 4.2Å; E250-L468 HydrophobicContact CB-CD2 3.56Å; L468-G482 CarbonylContact O-C 3.51Å; L468-G482 WeakPolarHBondContact O-CA 3.48Å; L468-R483 PolarHBondContact N-O 3.29Å; L468-R483 PolarHBondContact O-N 3.49Å; L468-Y517 HydrophobicContact CB-CD1 4.03Å; L468-Y517 HydrophobicContact CB-CE1 3.81Å; L468-Y517 HydrophobicContact CD1-CD1 4.12Å; L468-Y517 HydrophobicContact CD1-CE1 3.97Å; L468-Y517 HydrophobicContact CG-CE1 4.31Å
469	V	97.1	Very high	93.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.9	176.9	-179.6	0	0	0	0	109.8	P202 V480 F492 F512 K513 P514 G515 D516 V518	P202-V469 WeakPolarHBondContact CG-O 3.39Å; V469-V480 HydrophobicContact CG1-CB 4.04Å; V469-V480 HydrophobicContact CG1-CG1 4.35Å; V469-V480 HydrophobicContact CG1-CG2 4.29Å; V469-V480 HydrophobicContact CG2-CG2 4.44Å; V469-F492 HydrophobicContact CG2-CE2 4.38Å; V469-F492 HydrophobicContact CG2-CZ 3.67Å; V469-F512 HydrophobicContact CG2-CB 4.39Å; V469-K513 WeakPolarHBondContact CB-O 3.24Å; V469-K513 WeakPolarHBondContact CG1-O 3.42Å; V469-P514 WeakPolarHBondContact O-CA 3.47Å; V469-G515 PolarHBondContact O-N 3.09Å; V469-D516 HydrophobicContact CG2-CB 4.42Å; V469-D516 PolarHBondContact N-O 3.25Å; V469-V518 HydrophobicContact CG2-CG2 3.67Å
470	E	93.8	Very high	93.3	Very high	35 Å²	35	49 Å²	49	16%	0.164	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-28.3	179.2	-71.5	-175.5	-159.4	0	0	113.2	T203 F481 R483	T203-E470 HydrophobicContact CG2-CG 4.08Å; E470-F481 HydrophobicContact CB-CD2 4.34Å; E470-F481 HydrophobicContact CB-CE2 3.65Å; E470-F481 HydrophobicContact CB-CZ 3.81Å; E470-F481 HydrophobicContact CG-CE2 4.38Å; E470-F481 PolarHBondContact N-O 2.91Å; E470-F481 WeakPolarHBondContact OE2-CE2 3.41Å; E470-R483 VanDerWaalsContact OE1-CD 3.25Å; E470-R483 WeakPolarHBondContact OE1-CD 3.36Å; E470-R483 VanDerWaalsContact OE1-CG 3.29Å; E470-R483 WeakPolarHBondContact OE1-CG 3.43Å; E470-R483 IonicContact OE1-CZ 2.64Å; E470-R483 IonicContact OE1-NE 3.7Å; E470-R483 IonicContact OE1-NH1 2.88Å; E470-R483 PolarHBondContact OE1-NH1 3.01Å; E470-R483 IonicContact OE2-CZ 3.71Å; E470-R483 IonicContact OE2-NH1 3.7Å; E470-R483 PolarHBondContact OE2-NH1 2.74Å
471	G	91.3	Very high	93.3	Very high	5 Å²	5	49.9 Å²	49.9	5%	0.052	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.3	177.1	-173.5	0	0	0	0	0	114.6	V480 F481	G471-V480 WeakPolarHBondContact O-CA 3.24Å; G471-F481 PolarHBondContact N-O 2.93Å; G471-F481 VanDerWaalsContact O-CD1 3.32Å; G471-F481 WeakPolarHBondContact O-CD1 3.47Å; G471-F481 PolarHBondContact O-N 3.48Å
472	P	90.8	Very high	93.3	Very high	54 Å²	54	46.1 Å²	46.1	35%	0.351	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	146.1	173.4	28.4	-34.5	0	0	0	111.1	R474 F481	P472-R474 PolarHBondContact O-N 2.88Å; P472-F481 VanDerWaalsContact O-CD1 3.27Å; P472-F481 WeakPolarHBondContact O-CD1 3.33Å; P472-F481 WeakPolarHBondContact O-CE1 3.07Å
473	S	89.5	Confident	93.4	Very high	13 Å²	13	49 Å²	49	9%	0.091	23%	0.232	C	C	.	.			trans	-67.8	128.8	173.2	178.1	0	0	0	0	109.9	R475 S476 Q479	S473-R475 PolarHBondContact O-N 2.99Å; S473-R475 VanDerWaalsContact O-N 3.12Å; S473-R475 PolarHBondContact OG-N 3.39Å; S473-S476 WeakPolarHBondContact CB-O 3.43Å; S473-S476 CarbonylContact O-C 3.47Å; S473-S476 PolarHBondContact O-N 3.49Å; S473-Q479 VanDerWaalsContact CB-O 3.29Å; S473-Q479 WeakPolarHBondContact CB-O 3.32Å; S473-Q479 PolarHBondContact N-O 3.11Å
474	R	83.9	Confident	93.5	Very high	248 Å²	248	48.8 Å²	48.8	94%	0.936	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.7	178.2	-67.8	-174.7	176.7	-166.4	-4.9	114.1	P472	P472-R474 PolarHBondContact O-N 2.88Å
475	R	87.5	Confident	93.5	Very high	238 Å²	238	49.7 Å²	49.7	90%	0.898	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-15.4	-175	-67.9	-175.8	179.5	172.5	-0.2	113.1	S473	S473-R475 PolarHBondContact O-N 2.99Å; S473-R475 VanDerWaalsContact O-N 3.12Å; S473-R475 PolarHBondContact OG-N 3.39Å
476	S	88.9	Confident	93.6	Very high	26 Å²	26	50.6 Å²	50.6	18%	0.182	24%	0.239	C	C	.	.			trans	-149.5	123.9	-179.3	-178.8	0	0	0	0	110.6	S473 T478 Q479	S473-S476 WeakPolarHBondContact CB-O 3.43Å; S473-S476 CarbonylContact O-C 3.47Å; S473-S476 PolarHBondContact O-N 3.49Å; S476-T478 PolarHBondContact O-N 3.08Å; S476-T478 PolarHBondContact OG-N 2.81Å; S476-T478 PolarHBondContact OG-OG1 2.88Å; S476-Q479 PolarHBondContact O-N 3.36Å
477	P	84.5	Confident	93.7	Very high	113 Å²	113	53.6 Å²	53.6	73%	0.734	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-21	176.9	29.3	-34.7	0	0	0	112.8	Q479	P477-Q479 VanDerWaalsContact C-N 3.29Å
478	T	92.7	Very high	93.6	Very high	92 Å²	92	54.3 Å²	54.3	56%	0.564	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-4.1	179	62.6	0	0	0	0	113.3	S476 R494	S476-T478 PolarHBondContact O-N 3.08Å; S476-T478 PolarHBondContact OG-N 2.81Å; S476-T478 PolarHBondContact OG-OG1 2.88Å; T478-R494 VanDerWaalsContact O-CB 3.26Å; T478-R494 WeakPolarHBondContact O-CB 3.27Å; T478-R494 PolarHBondContact O-N 2.96Å
479	Q	95.6	Very high	93.6	Very high	53 Å²	53	57.7 Å²	57.7	25%	0.248	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151	-176.9	-62.7	-167.9	-46	0	0	111	S473 S476 P477 I491 F492 D493	S473-Q479 VanDerWaalsContact CB-O 3.29Å; S473-Q479 WeakPolarHBondContact CB-O 3.32Å; S473-Q479 PolarHBondContact N-O 3.11Å; S476-Q479 PolarHBondContact O-N 3.36Å; P477-Q479 VanDerWaalsContact C-N 3.29Å; Q479-I491 HydrophobicContact CB-CG2 4.1Å; Q479-F492 WeakPolarHBondContact CA-O 3.27Å; Q479-F492 WeakPolarHBondContact CB-O 3.46Å; Q479-D493 WeakPolarHBondContact CG-OD1 3.37Å; Q479-D493 PolarHBondContact NE2-OD1 3.16Å
480	V	96	Very high	93.7	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.024	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	164.4	168.8	-68	0	0	0	0	109.7	V469 G471 F492 R494	V469-V480 HydrophobicContact CG1-CB 4.04Å; V469-V480 HydrophobicContact CG1-CG1 4.35Å; V469-V480 HydrophobicContact CG1-CG2 4.29Å; V469-V480 HydrophobicContact CG2-CG2 4.44Å; G471-V480 WeakPolarHBondContact O-CA 3.24Å; V480-F492 HydrophobicContact CG2-CD2 3.8Å; V480-F492 HydrophobicContact CG2-CE1 4.28Å; V480-F492 HydrophobicContact CG2-CE2 3.47Å; V480-F492 VanDerWaalsContact CG2-CE2 3.47Å; V480-F492 HydrophobicContact CG2-CG 4.38Å; V480-F492 HydrophobicContact CG2-CZ 3.76Å; V480-F492 PolarHBondContact N-O 2.95Å; V480-F492 PolarHBondContact O-N 3.42Å; V480-R494 HydrophobicContact CG1-CB 3.9Å; V480-R494 HydrophobicContact CG1-CG 3.8Å
481	F	96.5	Very high	93.9	Very high	33 Å²	33	57.3 Å²	57.3	15%	0.145	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	151.9	164.6	81.7	-83.4	0	0	0	110.5	E470 G471 P472 K489 V490 I491	E470-F481 HydrophobicContact CB-CD2 4.34Å; E470-F481 HydrophobicContact CB-CE2 3.65Å; E470-F481 HydrophobicContact CB-CZ 3.81Å; E470-F481 HydrophobicContact CG-CE2 4.38Å; E470-F481 PolarHBondContact N-O 2.91Å; E470-F481 WeakPolarHBondContact OE2-CE2 3.41Å; G471-F481 PolarHBondContact N-O 2.93Å; G471-F481 VanDerWaalsContact O-CD1 3.32Å; G471-F481 WeakPolarHBondContact O-CD1 3.47Å; G471-F481 PolarHBondContact O-N 3.48Å; P472-F481 VanDerWaalsContact O-CD1 3.27Å; P472-F481 WeakPolarHBondContact O-CD1 3.33Å; P472-F481 WeakPolarHBondContact O-CE1 3.07Å; F481-K489 HydrophobicContact CB-CD 4.16Å; F481-K489 HydrophobicContact CB-CG 4.11Å; F481-K489 HydrophobicContact CD2-CD 4.01Å; F481-K489 HydrophobicContact CD2-CG 4.04Å; F481-K489 HydrophobicContact CG-CD 4.26Å; F481-K489 HydrophobicContact CG-CG 4.45Å; F481-V490 VanDerWaalsContact CA-O 3.29Å; F481-V490 WeakPolarHBondContact CA-O 3.01Å; F481-I491 HydrophobicContact CB-CG1 4.23Å
482	G	97.2	Very high	94.2	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	-176.1	172.2	0	0	0	0	0	111.6	L468 K489 V490	L468-G482 CarbonylContact O-C 3.51Å; L468-G482 WeakPolarHBondContact O-CA 3.48Å; G482-K489 CarbonylContact O-C 3.4Å; G482-K489 WeakPolarHBondContact O-CA 3.36Å; G482-V490 PolarHBondContact N-O 3.38Å; G482-V490 PolarHBondContact O-N 3.47Å
483	R	98.1	Very high	94.5	Very high	72 Å²	72	58.2 Å²	58.2	27%	0.272	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.2	174.3	-73.1	-172.4	171.1	92.6	7.8	112	R312 V467 L468 E470 N487 T488	R312-R483 PolarHBondContact NH1-O 3.06Å; V467-R483 WeakPolarHBondContact CA-O 3.36Å; L468-R483 PolarHBondContact N-O 3.29Å; L468-R483 PolarHBondContact O-N 3.49Å; E470-R483 VanDerWaalsContact OE1-CD 3.25Å; E470-R483 WeakPolarHBondContact OE1-CD 3.36Å; E470-R483 VanDerWaalsContact OE1-CG 3.29Å; E470-R483 WeakPolarHBondContact OE1-CG 3.43Å; E470-R483 IonicContact OE1-CZ 2.64Å; E470-R483 IonicContact OE1-NE 3.7Å; E470-R483 IonicContact OE1-NH1 2.88Å; E470-R483 PolarHBondContact OE1-NH1 3.01Å; E470-R483 IonicContact OE2-CZ 3.71Å; E470-R483 IonicContact OE2-NH1 3.7Å; E470-R483 PolarHBondContact OE2-NH1 2.74Å; R483-N487 WeakPolarHBondContact CD-OD1 3.25Å; R483-N487 PolarHBondContact NE-OD1 3.1Å; R483-T488 WeakPolarHBondContact CA-O 3.46Å
484	N	97.4	Very high	94.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.286	C	S	.	.			trans	-85.6	-175	171.9	71.3	-5.3	0	0	0	111.1	R314 Q465 V467 Y486 N487 T488 V490	R314-N484 PolarHBondContact NH2-O 3.28Å; Q465-N484 PolarHBondContact OE1-ND2 3.03Å; V467-N484 HydrophobicContact CG2-CB 4.31Å; N484-Y486 PolarHBondContact O-N 3.48Å; N484-Y486 PolarHBondContact OD1-N 3.03Å; N484-Y486 VanDerWaalsContact OD1-N 3.12Å; N484-N487 PolarHBondContact O-N 3.48Å; N484-N487 PolarHBondContact OD1-N 3.11Å; N484-T488 PolarHBondContact N-O 3.46Å; N484-T488 WeakPolarHBondContact OD1-CA 3.38Å; N484-T488 WeakPolarHBondContact OD1-CB 3.35Å; N484-T488 PolarHBondContact OD1-N 3.04Å; N484-T488 PolarHBondContact OD1-O 2.91Å; N484-V490 HydrophobicContact CB-CG2 3.95Å
485	D	95.8	Very high	95.2	Very high	33 Å²	33	55.2 Å²	55.2	18%	0.176	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-34.5	179.7	-159.4	52	0	0	0	113.4	R314 C338 S339 N487	R314-D485 PolarHBondContact NH1-O 3.09Å; C338-D485 VanDerWaalsContact CA-OD1 3.25Å; C338-D485 WeakPolarHBondContact CA-OD1 3.31Å; C338-D485 WeakPolarHBondContact CB-O 3.35Å; C338-D485 PolarHBondContact SG-OD1 2.82Å; S339-D485 WeakPolarHBondContact CA-OD2 3.41Å; S339-D485 WeakPolarHBondContact CB-OD2 3.35Å; S339-D485 PolarHBondContact N-OD2 3.08Å; S339-D485 PolarHBondContact OG-OD2 2.96Å; D485-N487 PolarHBondContact O-N 3.1Å; D485-N487 VanDerWaalsContact O-N 3.15Å
486	Y	97.1	Very high	95.3	Very high	34 Å²	34	45 Å²	45	13%	0.133	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	7	-179.5	-51.4	-42	0	0	0	115.3	N340 N378 F456 N484 T488	N340-Y486 PolarHBondContact ND2-O 3.32Å; N378-Y486 WeakPolarHBondContact O-CE1 3.19Å; N378-Y486 PolarHBondContact O-OH 2.97Å; F456-Y486 HydrophobicContact CE1-CD2 4.01Å; F456-Y486 HydrophobicContact CE1-CG 4.3Å; F456-Y486 HydrophobicContact CZ-CD2 4.04Å; F456-Y486 HydrophobicContact CZ-CE2 4.28Å; F456-Y486 HydrophobicContact CZ-CG 4.19Å; N484-Y486 PolarHBondContact O-N 3.48Å; N484-Y486 PolarHBondContact OD1-N 3.03Å; N484-Y486 VanDerWaalsContact OD1-N 3.12Å; Y486-T488 PolarHBondContact O-N 2.89Å
487	N	97	Very high	95	Very high	72 Å²	72	48 Å²	48	39%	0.385	25%	0.246	S	C	.	.	S	Bend	trans	64.1	16	-173.5	-163.3	19.1	0	0	0	113.1	R483 N484 D485	R483-N487 WeakPolarHBondContact CD-OD1 3.25Å; R483-N487 PolarHBondContact NE-OD1 3.1Å; N484-N487 PolarHBondContact O-N 3.48Å; N484-N487 PolarHBondContact OD1-N 3.11Å; D485-N487 PolarHBondContact O-N 3.1Å; D485-N487 VanDerWaalsContact O-N 3.15Å
488	T	97.6	Very high	94.4	Very high	16 Å²	16	44.9 Å²	44.9	10%	0.098	22%	0.223	C	C	.	.			trans	-84.7	136.5	177.2	-56.7	0	0	0	0	109.6	R483 N484 Y486 V490 L530	R483-T488 WeakPolarHBondContact CA-O 3.46Å; N484-T488 PolarHBondContact N-O 3.46Å; N484-T488 WeakPolarHBondContact OD1-CA 3.38Å; N484-T488 WeakPolarHBondContact OD1-CB 3.35Å; N484-T488 PolarHBondContact OD1-N 3.04Å; N484-T488 PolarHBondContact OD1-O 2.91Å; Y486-T488 PolarHBondContact O-N 2.89Å; T488-V490 PolarHBondContact O-N 3.33Å; T488-L530 HydrophobicContact CG2-CD1 4.1Å; T488-L530 HydrophobicContact CG2-CG 3.85Å
489	K	97.8	Very high	93	Very high	71 Å²	71	45.7 Å²	45.7	31%	0.309	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127	175.8	179.1	178.2	-65.8	-172.7	0	110.1	F481 G482 I491 T529 L530	F481-K489 HydrophobicContact CB-CD 4.16Å; F481-K489 HydrophobicContact CB-CG 4.11Å; F481-K489 HydrophobicContact CD2-CD 4.01Å; F481-K489 HydrophobicContact CD2-CG 4.04Å; F481-K489 HydrophobicContact CG-CD 4.26Å; F481-K489 HydrophobicContact CG-CG 4.45Å; G482-K489 CarbonylContact O-C 3.4Å; G482-K489 WeakPolarHBondContact O-CA 3.36Å; K489-I491 HydrophobicContact CD-CG1 4.41Å; K489-I491 HydrophobicContact CG-CG1 4.33Å; K489-T529 HydrophobicContact CB-CG2 4.19Å; K489-T529 HydrophobicContact CD-CG2 4.16Å; K489-T529 HydrophobicContact CG-CG2 4.38Å; K489-T529 CarbonylContact O-C 3.44Å; K489-T529 WeakPolarHBondContact O-CA 3.38Å; K489-L530 PolarHBondContact O-N 2.98Å
490	V	98.7	Very high	91	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.4	173.1	-166.8	0	0	0	0	108.8	V467 F481 G482 N484 T488 F492 V520 I522 L530	V467-V490 HydrophobicContact CG1-CB 4.17Å; V467-V490 HydrophobicContact CG1-CG2 4.43Å; V467-V490 HydrophobicContact CG2-CB 3.96Å; V467-V490 HydrophobicContact CG2-CG1 4.21Å; V467-V490 HydrophobicContact CG2-CG2 3.77Å; F481-V490 VanDerWaalsContact CA-O 3.29Å; F481-V490 WeakPolarHBondContact CA-O 3.01Å; G482-V490 PolarHBondContact N-O 3.38Å; G482-V490 PolarHBondContact O-N 3.47Å; N484-V490 HydrophobicContact CB-CG2 3.95Å; T488-V490 PolarHBondContact O-N 3.33Å; V490-F492 HydrophobicContact CG1-CD1 4.23Å; V490-V520 HydrophobicContact CG1-CG1 4.14Å; V490-I522 HydrophobicContact CG1-CD1 3.86Å; V490-I522 HydrophobicContact CG2-CD1 4.42Å; V490-L530 WeakPolarHBondContact CA-O 3.22Å; V490-L530 HydrophobicContact CB-CB 4.48Å; V490-L530 HydrophobicContact CG1-CB 4.22Å; V490-L530 HydrophobicContact CG2-CB 4.18Å; V490-L530 HydrophobicContact CG2-CD1 4.28Å
491	I	98.4	Very high	88.8	Confident	26 Å²	26	51.4 Å²	51.4	13%	0.133	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.3	178.2	-57.4	171.5	0	0	0	108.3	Q479 F481 K489 L530 Q531 G532	Q479-I491 HydrophobicContact CB-CG2 4.1Å; F481-I491 HydrophobicContact CB-CG1 4.23Å; K489-I491 HydrophobicContact CD-CG1 4.41Å; K489-I491 HydrophobicContact CG-CG1 4.33Å; I491-L530 PolarHBondContact N-O 3.07Å; I491-Q531 WeakPolarHBondContact O-CA 3.47Å; I491-G532 PolarHBondContact O-N 3.49Å
492	F	97.8	Very high	86	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	167	-179.6	57.1	-88.2	0	0	0	110.5	V467 V469 Q479 V480 V490 F512 V518 V520 G532 A534	V467-F492 HydrophobicContact CB-CE1 4.23Å; V467-F492 HydrophobicContact CG1-CE1 3.81Å; V467-F492 HydrophobicContact CG1-CZ 4.48Å; V469-F492 HydrophobicContact CG2-CE2 4.38Å; V469-F492 HydrophobicContact CG2-CZ 3.67Å; Q479-F492 WeakPolarHBondContact CA-O 3.27Å; Q479-F492 WeakPolarHBondContact CB-O 3.46Å; V480-F492 HydrophobicContact CG2-CD2 3.8Å; V480-F492 HydrophobicContact CG2-CE1 4.28Å; V480-F492 HydrophobicContact CG2-CE2 3.47Å; V480-F492 VanDerWaalsContact CG2-CE2 3.47Å; V480-F492 HydrophobicContact CG2-CG 4.38Å; V480-F492 HydrophobicContact CG2-CZ 3.76Å; V480-F492 PolarHBondContact N-O 2.95Å; V480-F492 PolarHBondContact O-N 3.42Å; V490-F492 HydrophobicContact CG1-CD1 4.23Å; F492-F512 HydrophobicContact CD2-CD2 4.31Å; F492-F512 AromaticContact CE2-CD2 3.84Å; F492-F512 HydrophobicContact CE2-CD2 3.84Å; F492-F512 HydrophobicContact CE2-CE2 4.35Å; F492-F512 HydrophobicContact CE2-CG 4.3Å; F492-V518 HydrophobicContact CE2-CB 4.18Å; F492-V518 HydrophobicContact CE2-CG1 3.85Å; F492-V518 HydrophobicContact CE2-CG2 4.23Å; F492-V518 HydrophobicContact CZ-CB 3.93Å; F492-V518 HydrophobicContact CZ-CG1 4.07Å; F492-V518 HydrophobicContact CZ-CG2 4.09Å; F492-V520 HydrophobicContact CD1-CG1 4.47Å; F492-V520 HydrophobicContact CD1-CG2 3.99Å; F492-V520 HydrophobicContact CE1-CG2 3.91Å; F492-V520 HydrophobicContact CE2-CG2 4.43Å; F492-V520 HydrophobicContact CG-CG2 4.28Å; F492-V520 HydrophobicContact CZ-CG2 4.1Å; F492-G532 WeakPolarHBondContact CB-O 3.36Å; F492-A534 HydrophobicContact CD2-CB 3.81Å; F492-A534 HydrophobicContact CE2-CB 4.19Å
493	D	97.1	Very high	83.4	Confident	78 Å²	78	61.6 Å²	61.6	42%	0.417	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	136.1	-176.2	-61.7	-24.1	0	0	0	111.4	Q479 E495 V496	Q479-D493 WeakPolarHBondContact CG-OD1 3.37Å; Q479-D493 PolarHBondContact NE2-OD1 3.16Å; D493-E495 VanDerWaalsContact C-N 3.28Å; D493-E495 PolarHBondContact O-N 2.83Å; D493-V496 HydrophobicContact CB-CG1 4.36Å
494	R	94.5	Very high	80.6	Confident	95 Å²	95	65.8 Å²	65.8	36%	0.358	36%	0.364	S	S	.	.	S	Bend	trans	-65.3	-36.5	-179.3	-177.8	177.3	178.5	173.1	-1.4	111.5	T478 V480 S511 F512	T478-R494 VanDerWaalsContact O-CB 3.26Å; T478-R494 WeakPolarHBondContact O-CB 3.27Å; T478-R494 PolarHBondContact O-N 2.96Å; V480-R494 HydrophobicContact CG1-CB 3.9Å; V480-R494 HydrophobicContact CG1-CG 3.8Å; R494-S511 WeakPolarHBondContact O-CA 3.42Å; R494-F512 WeakPolarHBondContact O-CD2 3.41Å; R494-F512 PolarHBondContact O-N 2.86Å
495	E	92.6	Very high	78	Confident	104 Å²	104	73.2 Å²	73.2	49%	0.486	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.7	-176.1	-72.9	177.5	-173.8	0	0	110.1	D493 H509 M510 S511	D493-E495 VanDerWaalsContact C-N 3.28Å; D493-E495 PolarHBondContact O-N 2.83Å; E495-H509 IonicContact OE2-CE1 3.59Å; E495-H509 IonicContact OE2-NE2 3.64Å; E495-M510 CarbonylContact C-O 3.58Å; E495-M510 VanDerWaalsContact CA-O 3.24Å; E495-M510 WeakPolarHBondContact CA-O 3.46Å; E495-S511 WeakPolarHBondContact CG-OG 3.09Å; E495-S511 PolarHBondContact OE1-OG 3.13Å
496	V	89.6	Confident	75.8	Confident	22 Å²	22	79 Å²	79	13%	0.133	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.3	177.1	-63.4	0	0	0	0	110.3	D493 L498 M510 F512 A534	D493-V496 HydrophobicContact CB-CG1 4.36Å; V496-L498 HydrophobicContact CG2-CD2 4.22Å; V496-L498 HydrophobicContact CG2-CG 4.39Å; V496-M510 HydrophobicContact CG2-CB 4.27Å; V496-M510 PolarHBondContact N-O 3.38Å; V496-M510 PolarHBondContact O-N 2.91Å; V496-F512 HydrophobicContact CG1-CE2 4.26Å; V496-F512 HydrophobicContact CG2-CE2 3.67Å; V496-F512 HydrophobicContact CG2-CZ 3.61Å; V496-A534 HydrophobicContact CG1-CB 4.16Å; V496-A534 HydrophobicContact CG2-CB 4.42Å
497	T	83.5	Confident	73.5	Confident	89 Å²	89	81.4 Å²	81.4	55%	0.546	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	111.4	168.5	-56	0	0	0	0	107.6	C507	T497-C507 HydrophobicContact CG2-CB 4.05Å
498	L	71.9	Confident	72.2	Confident	49 Å²	49	80.9 Å²	80.9	26%	0.257	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	123.2	177.4	-60.8	176.3	0	0	0	108.9	V496 A500 S508 M510 L535	V496-L498 HydrophobicContact CG2-CD2 4.22Å; V496-L498 HydrophobicContact CG2-CG 4.39Å; L498-A500 PolarHBondContact O-N 3.27Å; L498-S508 PolarHBondContact N-O 2.95Å; L498-M510 HydrophobicContact CD1-SD 3.58Å; L498-M510 VanDerWaalsContact CD1-SD 3.58Å; L498-M510 HydrophobicContact CG-SD 4.47Å; L498-L535 WeakPolarHBondContact CD1-O 3.15Å
499	T	62.1	Low	71.6	Confident	108 Å²	108	85.4 Å²	85.4	66%	0.663	47%	0.472	S	S	*	.			trans	-74.4	121.8	169.5	39.6	0	0	0	0	108.6	T501	T499-T501 PolarHBondContact O-N 3.38Å
500	A	54.1	Low	71.1	Confident	46 Å²	46	83.9 Å²	83.9	38%	0.38	47%	0.467	S	S	.	.			trans	-58.4	112.6	175.4	0	0	0	0	0	109.9	L498 T502 Q505	L498-A500 PolarHBondContact O-N 3.27Å; A500-T502 PolarHBondContact O-N 3.29Å; A500-Q505 HydrophobicContact CB-CB 4.06Å; A500-Q505 WeakPolarHBondContact CB-O 3.4Å
501	T	49.8	Very low	70.8	Confident	132 Å²	132	86.5 Å²	86.5	81%	0.81	49%	0.485	S	S	*	.	S	Bend	trans	-83.7	5.5	-178.8	37.9	0	0	0	0	112.9	T499	T499-T501 PolarHBondContact O-N 3.38Å
502	T	38.7	Very low	70.6	Confident	113 Å²	113	85.3 Å²	85.3	69%	0.693	48%	0.479	S	S	*	.	S	Bend	trans	-157.3	139.6	169.6	-3.1	0	0	0	0	111.2	A500 N504	A500-T502 PolarHBondContact O-N 3.29Å; T502-N504 PolarHBondContact O-N 3.41Å
503	V	41.8	Very low	70.3	Confident	134 Å²	134	91.7 Å²	91.7	81%	0.812	51%	0.506	S	S	*	.	S	Bend	trans	-27.2	121.9	-178.4	-172.8	0	0	0	0	113.9
504	N	39.7	Very low	70.1	Confident	159 Å²	159	89.7 Å²	89.7	85%	0.85	50%	0.498	S	S	*	.	S	Bend	trans	86.7	31.1	172	-63	-13.4	0	0	0	120	T502	T502-N504 PolarHBondContact O-N 3.41Å
505	Q	42	Very low	70.1	Confident	156 Å²	156	85.8 Å²	85.8	73%	0.729	49%	0.487	S	S	*	.			trans	-119	126.8	156.2	-73.8	179.8	-9.2	0	0	109.2	A500	A500-Q505 HydrophobicContact CB-CB 4.06Å; A500-Q505 WeakPolarHBondContact CB-O 3.4Å
506	D	50.2	Low	70.2	Confident	156 Å²	156	82.1 Å²	82.1	83%	0.834	47%	0.471	S	S	*	.			trans	-56.7	148.4	170.2	-72.6	-45.5	0	0	0	109.4	S508	D506-S508 PolarHBondContact O-N 2.65Å
507	C	48.3	Very low	70.5	Confident	84 Å²	84	81.5 Å²	81.5	57%	0.568	47%	0.466	S	S	*	.			trans	-55.6	101	169.8	-68.5	0	0	0	0	108.9	T497 H509	T497-C507 HydrophobicContact CG2-CB 4.05Å; C507-H509 PolarHBondContact O-N 3Å
508	S	70.9	Confident	71.2	Confident	61 Å²	61	77.2 Å²	77.2	43%	0.427	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	110.1	179	60.7	0	0	0	0	108.6	L498 D506	L498-S508 PolarHBondContact N-O 2.95Å; D506-S508 PolarHBondContact O-N 2.65Å
509	H	83.6	Confident	72.3	Confident	111 Å²	111	75 Å²	75	51%	0.514	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	126.8	165.3	-179.9	78.3	0	0	0	109	E495 C507	E495-H509 IonicContact OE2-CE1 3.59Å; E495-H509 IonicContact OE2-NE2 3.64Å; C507-H509 PolarHBondContact O-N 3Å
510	M	88.1	Confident	73.9	Confident	39 Å²	39	69.9 Å²	69.9	19%	0.192	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.9	-178.9	-62	-172.2	76.2	0	0	110.2	E495 V496 L498 F512 L537	E495-M510 CarbonylContact C-O 3.58Å; E495-M510 VanDerWaalsContact CA-O 3.24Å; E495-M510 WeakPolarHBondContact CA-O 3.46Å; V496-M510 HydrophobicContact CG2-CB 4.27Å; V496-M510 PolarHBondContact N-O 3.38Å; V496-M510 PolarHBondContact O-N 2.91Å; L498-M510 HydrophobicContact CD1-SD 3.58Å; L498-M510 VanDerWaalsContact CD1-SD 3.58Å; L498-M510 HydrophobicContact CG-SD 4.47Å; M510-F512 HydrophobicContact CB-CE1 4.38Å; M510-F512 HydrophobicContact CB-CZ 4.35Å; M510-F512 HydrophobicContact CE-CE1 4.39Å; M510-L537 HydrophobicContact CE-CB 3.81Å; M510-L537 HydrophobicContact CE-CD1 3.51Å; M510-L537 HydrophobicContact CE-CG 3.47Å; M510-L537 VanDerWaalsContact CE-CG 3.47Å
511	S	92.2	Very high	76	Confident	54 Å²	54	70.7 Å²	70.7	38%	0.378	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.2	173.5	-168.4	0	0	0	0	109.3	R494 E495	R494-S511 WeakPolarHBondContact O-CA 3.42Å; E495-S511 WeakPolarHBondContact CG-OG 3.09Å; E495-S511 PolarHBondContact OE1-OG 3.13Å
512	F	93.9	Very high	78.3	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.009	36%	0.355	C	S	.	.			trans	-96.9	139.4	-175.9	-51.4	-64.5	0	0	0	111.8	V469 F492 R494 V496 M510 V518 A534 L537	V469-F512 HydrophobicContact CG2-CB 4.39Å; F492-F512 HydrophobicContact CD2-CD2 4.31Å; F492-F512 AromaticContact CE2-CD2 3.84Å; F492-F512 HydrophobicContact CE2-CD2 3.84Å; F492-F512 HydrophobicContact CE2-CE2 4.35Å; F492-F512 HydrophobicContact CE2-CG 4.3Å; R494-F512 WeakPolarHBondContact O-CD2 3.41Å; R494-F512 PolarHBondContact O-N 2.86Å; V496-F512 HydrophobicContact CG1-CE2 4.26Å; V496-F512 HydrophobicContact CG2-CE2 3.67Å; V496-F512 HydrophobicContact CG2-CZ 3.61Å; M510-F512 HydrophobicContact CB-CE1 4.38Å; M510-F512 HydrophobicContact CB-CZ 4.35Å; M510-F512 HydrophobicContact CE-CE1 4.39Å; F512-V518 HydrophobicContact CB-CG2 4.23Å; F512-V518 HydrophobicContact CD1-CG1 4.12Å; F512-V518 HydrophobicContact CD1-CG2 3.52Å; F512-V518 HydrophobicContact CE1-CG1 3.83Å; F512-V518 HydrophobicContact CE1-CG2 4.02Å; F512-V518 HydrophobicContact CE2-CG1 4.31Å; F512-V518 HydrophobicContact CG-CG1 4.48Å; F512-V518 HydrophobicContact CG-CG2 3.88Å; F512-V518 HydrophobicContact CZ-CG1 3.94Å; F512-A534 HydrophobicContact CD2-CB 4.27Å; F512-A534 HydrophobicContact CE2-CB 3.31Å; F512-A534 HydrophobicContact CZ-CB 3.6Å; F512-L537 HydrophobicContact CD1-CD2 3.91Å; F512-L537 HydrophobicContact CD1-CG 4.25Å; F512-L537 HydrophobicContact CE1-CD2 4.22Å; F512-L537 HydrophobicContact CE1-CG 4.13Å
513	K	92	Very high	81.1	Confident	133 Å²	133	62.9 Å²	62.9	58%	0.578	35%	0.345	S	S	*	.			trans	-126.8	162.4	-179.6	68.4	-171.8	174.3	-163.5	0	112	V469 G515 D516	V469-K513 WeakPolarHBondContact CB-O 3.24Å; V469-K513 WeakPolarHBondContact CG1-O 3.42Å; K513-G515 PolarHBondContact O-N 2.72Å; K513-D516 WeakPolarHBondContact CG-OD2 3.49Å; K513-D516 PolarHBondContact N-OD2 3.22Å; K513-D516 VanDerWaalsContact O-CB 3.31Å; K513-D516 WeakPolarHBondContact O-CB 3.44Å; K513-D516 PolarHBondContact O-N 3.07Å; K513-D516 VanDerWaalsContact O-N 3.1Å
514	P	92.8	Very high	83.8	Confident	36 Å²	36	57 Å²	57	23%	0.234	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	133.3	174.1	-26.8	36.7	0	0	0	112.3	P202 V469	P202-P514 HydrophobicContact CG-CB 4.28Å; V469-P514 WeakPolarHBondContact O-CA 3.47Å
515	G	93.6	Very high	86.6	Confident	14 Å²	14	50.6 Å²	50.6	14%	0.144	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-11.8	-175.9	0	0	0	0	0	114.8	P202 V469 K513	P202-G515 VanDerWaalsContact CB-CA 3.5Å; V469-G515 PolarHBondContact O-N 3.09Å; K513-G515 PolarHBondContact O-N 2.72Å
516	D	95.4	Very high	89.3	Confident	27 Å²	27	46 Å²	46	14%	0.144	26%	0.264	C	S	.	.			trans	-74.1	136.8	173.5	-68.9	-13.3	0	0	0	111	V469 K513 V518 L537	V469-D516 HydrophobicContact CG2-CB 4.42Å; V469-D516 PolarHBondContact N-O 3.25Å; K513-D516 WeakPolarHBondContact CG-OD2 3.49Å; K513-D516 PolarHBondContact N-OD2 3.22Å; K513-D516 VanDerWaalsContact O-CB 3.31Å; K513-D516 WeakPolarHBondContact O-CB 3.44Å; K513-D516 PolarHBondContact O-N 3.07Å; K513-D516 VanDerWaalsContact O-N 3.1Å; D516-V518 HydrophobicContact CB-CG2 4.13Å; D516-L537 HydrophobicContact CB-CD2 3.63Å
517	Y	97.1	Very high	91.5	Very high	8 Å²	8	39.2 Å²	39.2	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121	162.4	-76.8	-62.5	0	0	0	109	K249 E310 R312 I466 V467 L468 S538 L540	K249-Y517 HydrophobicContact CB-CE2 4.35Å; K249-Y517 HydrophobicContact CD-CE2 4.32Å; K249-Y517 PolarHBondContact O-OH 3.41Å; E310-Y517 WeakPolarHBondContact O-CE2 3.22Å; E310-Y517 PolarHBondContact O-OH 2.99Å; R312-Y517 WeakPolarHBondContact CB-OH 3.46Å; I466-Y517 HydrophobicContact CG1-CD1 4.02Å; I466-Y517 HydrophobicContact CG1-CG 4.44Å; V467-Y517 WeakPolarHBondContact O-CA 3.04Å; L468-Y517 HydrophobicContact CB-CD1 4.03Å; L468-Y517 HydrophobicContact CB-CE1 3.81Å; L468-Y517 HydrophobicContact CD1-CD1 4.12Å; L468-Y517 HydrophobicContact CD1-CE1 3.97Å; L468-Y517 HydrophobicContact CG-CE1 4.31Å; Y517-S538 VanDerWaalsContact CB-O 3.3Å; Y517-S538 WeakPolarHBondContact CB-O 3.25Å; Y517-S538 PolarHBondContact O-N 3.33Å; Y517-L540 HydrophobicContact CD2-CB 4.39Å; Y517-L540 HydrophobicContact CE1-CB 4.48Å; Y517-L540 HydrophobicContact CE1-CD1 4.48Å; Y517-L540 HydrophobicContact CE2-CB 4.03Å
518	V	96.7	Very high	93.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.4	-175.9	-174.3	0	0	0	0	109	V467 V469 F492 F512 D516 V520 A534 L537	V467-V518 PolarHBondContact N-O 3.18Å; V467-V518 PolarHBondContact O-N 2.91Å; V469-V518 HydrophobicContact CG2-CG2 3.67Å; F492-V518 HydrophobicContact CE2-CB 4.18Å; F492-V518 HydrophobicContact CE2-CG1 3.85Å; F492-V518 HydrophobicContact CE2-CG2 4.23Å; F492-V518 HydrophobicContact CZ-CB 3.93Å; F492-V518 HydrophobicContact CZ-CG1 4.07Å; F492-V518 HydrophobicContact CZ-CG2 4.09Å; F512-V518 HydrophobicContact CB-CG2 4.23Å; F512-V518 HydrophobicContact CD1-CG1 4.12Å; F512-V518 HydrophobicContact CD1-CG2 3.52Å; F512-V518 HydrophobicContact CE1-CG1 3.83Å; F512-V518 HydrophobicContact CE1-CG2 4.02Å; F512-V518 HydrophobicContact CE2-CG1 4.31Å; F512-V518 HydrophobicContact CG-CG1 4.48Å; F512-V518 HydrophobicContact CG-CG2 3.88Å; F512-V518 HydrophobicContact CZ-CG1 3.94Å; D516-V518 HydrophobicContact CB-CG2 4.13Å; V518-V520 HydrophobicContact CB-CG2 4.24Å; V518-V520 HydrophobicContact CG1-CG2 3.86Å; V518-A534 HydrophobicContact CG1-CB 3.83Å; V518-L537 HydrophobicContact CG2-CD2 4.26Å
519	V	95.9	Very high	95	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.9	170.3	-173.9	0	0	0	0	107.8	I464 I466 L535 G536 S538 F543 W548	I464-V519 HydrophobicContact CG2-CG1 3.32Å; I466-V519 HydrophobicContact CD1-CG2 4.21Å; V519-L535 HydrophobicContact CB-CB 4.37Å; V519-L535 HydrophobicContact CG1-CB 4.31Å; V519-L535 HydrophobicContact CG1-CD1 4.16Å; V519-L535 PolarHBondContact O-N 3.28Å; V519-G536 PolarHBondContact N-O 2.92Å; V519-S538 VanDerWaalsContact CG2-CB 3.46Å; V519-F543 HydrophobicContact CG1-CD2 4.32Å; V519-F543 HydrophobicContact CG1-CE2 4.22Å; V519-F543 HydrophobicContact CG2-CD2 4.07Å; V519-W548 HydrophobicContact CG1-CD2 3.95Å; V519-W548 HydrophobicContact CG1-CE3 4.14Å; V519-W548 HydrophobicContact CG1-CG 4.23Å
520	V	96.1	Very high	95.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.6	-173.3	-178.5	0	0	0	0	109.5	Q465 V467 V490 F492 V518 I522 G532 K533	Q465-V520 PolarHBondContact N-O 3.14Å; Q465-V520 PolarHBondContact O-N 2.85Å; V467-V520 HydrophobicContact CB-CG2 4.12Å; V467-V520 HydrophobicContact CG2-CB 4.07Å; V467-V520 HydrophobicContact CG2-CG2 3.88Å; V490-V520 HydrophobicContact CG1-CG1 4.14Å; F492-V520 HydrophobicContact CD1-CG1 4.47Å; F492-V520 HydrophobicContact CD1-CG2 3.99Å; F492-V520 HydrophobicContact CE1-CG2 3.91Å; F492-V520 HydrophobicContact CE2-CG2 4.43Å; F492-V520 HydrophobicContact CG-CG2 4.28Å; F492-V520 HydrophobicContact CZ-CG2 4.1Å; V518-V520 HydrophobicContact CB-CG2 4.24Å; V518-V520 HydrophobicContact CG1-CG2 3.86Å; V520-I522 HydrophobicContact CG1-CD1 4.34Å; V520-G532 VanDerWaalsContact CG1-CA 3.47Å; V520-K533 WeakPolarHBondContact CA-O 3.44Å
521	E	96.7	Very high	96.2	Very high	63 Å²	63	38.1 Å²	38.1	29%	0.294	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.7	164.5	-177.4	179.7	-165.6	0	0	108.8	T463 V523 G532 K533 L535	T463-E521 WeakPolarHBondContact O-CA 3.42Å; E521-V523 HydrophobicContact CG-CG1 4.49Å; E521-V523 PolarHBondContact O-N 3.31Å; E521-G532 CarbonylContact O-C 3.53Å; E521-G532 WeakPolarHBondContact O-CA 3.22Å; E521-K533 PolarHBondContact N-O 2.98Å; E521-K533 PolarHBondContact O-N 3.49Å; E521-L535 HydrophobicContact CB-CD1 4.23Å; E521-L535 HydrophobicContact CB-CD2 4.3Å; E521-L535 HydrophobicContact CB-CG 4.39Å
522	I	98.2	Very high	96.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	122.9	177.9	-55	-55	0	0	0	109.2	Q460 I461 G462 T463 Q465 V490 V520 L530	Q460-I522 HydrophobicContact CB-CG2 4.33Å; Q460-I522 VanDerWaalsContact O-CB 3.3Å; Q460-I522 WeakPolarHBondContact O-CB 3.49Å; I461-I522 HydrophobicContact CG1-CG2 4.37Å; G462-I522 PolarHBondContact N-O 3.23Å; T463-I522 PolarHBondContact O-N 2.87Å; Q465-I522 HydrophobicContact CG-CD1 4.44Å; Q465-I522 HydrophobicContact CG-CG1 4Å; V490-I522 HydrophobicContact CG1-CD1 3.86Å; V490-I522 HydrophobicContact CG2-CD1 4.42Å; V520-I522 HydrophobicContact CG1-CD1 4.34Å; I522-L530 HydrophobicContact CD1-CB 4.25Å; I522-L530 HydrophobicContact CD1-CD1 4.02Å; I522-L530 HydrophobicContact CG1-CD1 4.31Å; I522-L530 HydrophobicContact CG2-CB 4.2Å; I522-L530 HydrophobicContact CG2-CD1 4.32Å; I522-L530 HydrophobicContact CG2-CD2 4.05Å; I522-L530 HydrophobicContact CG2-CG 4.41Å
523	V	98.2	Very high	96.5	Very high	80 Å²	80	42.1 Å²	42.1	49%	0.485	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-14.1	-177.1	-64.3	0	0	0	0	113.5	E521 Q531 K533	E521-V523 HydrophobicContact CG-CG1 4.49Å; E521-V523 PolarHBondContact O-N 3.31Å; V523-Q531 HydrophobicContact CG2-CB 4.45Å; V523-Q531 PolarHBondContact N-O 3.42Å; V523-K533 HydrophobicContact CG1-CB 4.19Å
524	G	98.3	Very high	96.7	Very high	11 Å²	11	35.9 Å²	35.9	11%	0.113	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	157.7	-179	0	0	0	0	0	112.4	L530 Q531	G524-L530 WeakPolarHBondContact O-CA 3.36Å; G524-Q531 PolarHBondContact N-O 3.21Å; G524-Q531 VanDerWaalsContact N-O 3.12Å; G524-Q531 PolarHBondContact O-N 3.32Å
525	A	98.3	Very high	96.7	Very high	24 Å²	24	36 Å²	36	20%	0.198	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	143.7	-176.3	0	0	0	0	0	111.9	N457 Q458 I461 L530	N457-A525 HydrophobicContact CB-CB 3.93Å; N457-A525 WeakPolarHBondContact O-CB 3.46Å; Q458-A525 HydrophobicContact CG-CB 4.31Å; I461-A525 HydrophobicContact CD1-CB 3.97Å; I461-A525 HydrophobicContact CG1-CB 4.09Å; A525-L530 HydrophobicContact CB-CD2 3.78Å
526	T	98.1	Very high	96.6	Very high	61 Å²	61	35.9 Å²	35.9	37%	0.374	19%	0.194	S	C	.	.			trans	-122.1	178.7	161.2	72.2	0	0	0	0	108.7	N457 Q528 T529	N457-T526 WeakPolarHBondContact CB-O 3.49Å; N457-T526 PolarHBondContact ND2-O 3.2Å; T526-Q528 PolarHBondContact O-N 2.76Å; T526-Q528 VanDerWaalsContact O-N 3.15Å; T526-Q528 PolarHBondContact OG1-N 2.87Å; T526-T529 PolarHBondContact N-O 3.03Å; T526-T529 PolarHBondContact OG1-N 2.95Å; T526-T529 PolarHBondContact OG1-O 3.13Å; T526-T529 VanDerWaalsContact OG1-O 3.1Å; T526-T529 PolarHBondContact OG1-OG1 3.21Å; T526-T529 VanDerWaalsContact OG1-OG1 3.14Å
527	S	96.7	Very high	96.5	Very high	12 Å²	12	38.7 Å²	38.7	8%	0.084	21%	0.208	C	C	.	.	S	Bend	trans	-63.9	-12.1	171.9	52.9	0	0	0	0	114.9	R450 S453	R450-S527 WeakPolarHBondContact CG-OG 3.39Å; R450-S527 PolarHBondContact NE-OG 2.96Å; R450-S527 WeakPolarHBondContact O-CB 3.44Å; S453-S527 WeakPolarHBondContact CB-O 3.43Å
528	Q	95.5	Very high	96.3	Very high	132 Å²	132	39.6 Å²	39.6	62%	0.617	22%	0.216	S	C	*	.	S	Bend	trans	-126.6	-25.2	-174.4	-63.9	-178.6	22.7	0	0	114.4	T526	T526-Q528 PolarHBondContact O-N 2.76Å; T526-Q528 VanDerWaalsContact O-N 3.15Å; T526-Q528 PolarHBondContact OG1-N 2.87Å
529	T	97.2	Very high	96.1	Very high	32 Å²	32	41.8 Å²	41.8	20%	0.196	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.5	-172.9	65.5	0	0	0	0	110.6	K489 T526	K489-T529 HydrophobicContact CB-CG2 4.19Å; K489-T529 HydrophobicContact CD-CG2 4.16Å; K489-T529 HydrophobicContact CG-CG2 4.38Å; K489-T529 CarbonylContact O-C 3.44Å; K489-T529 WeakPolarHBondContact O-CA 3.38Å; T526-T529 PolarHBondContact N-O 3.03Å; T526-T529 PolarHBondContact OG1-N 2.95Å; T526-T529 PolarHBondContact OG1-O 3.13Å; T526-T529 VanDerWaalsContact OG1-O 3.1Å; T526-T529 PolarHBondContact OG1-OG1 3.21Å; T526-T529 VanDerWaalsContact OG1-OG1 3.14Å
530	L	98.6	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	154.1	167.4	-60.3	174.6	0	0	0	109.9	N457 Q460 T488 K489 V490 I491 I522 G524 A525	N457-L530 HydrophobicContact CB-CD2 3.73Å; Q460-L530 HydrophobicContact CB-CD1 4.28Å; Q460-L530 HydrophobicContact CB-CD2 4.34Å; Q460-L530 HydrophobicContact CG-CD1 4.47Å; T488-L530 HydrophobicContact CG2-CD1 4.1Å; T488-L530 HydrophobicContact CG2-CG 3.85Å; K489-L530 PolarHBondContact O-N 2.98Å; V490-L530 WeakPolarHBondContact CA-O 3.22Å; V490-L530 HydrophobicContact CB-CB 4.48Å; V490-L530 HydrophobicContact CG1-CB 4.22Å; V490-L530 HydrophobicContact CG2-CB 4.18Å; V490-L530 HydrophobicContact CG2-CD1 4.28Å; I491-L530 PolarHBondContact N-O 3.07Å; I522-L530 HydrophobicContact CD1-CB 4.25Å; I522-L530 HydrophobicContact CD1-CD1 4.02Å; I522-L530 HydrophobicContact CG1-CD1 4.31Å; I522-L530 HydrophobicContact CG2-CB 4.2Å; I522-L530 HydrophobicContact CG2-CD1 4.32Å; I522-L530 HydrophobicContact CG2-CD2 4.05Å; I522-L530 HydrophobicContact CG2-CG 4.41Å; G524-L530 WeakPolarHBondContact O-CA 3.36Å; A525-L530 HydrophobicContact CB-CD2 3.78Å
531	Q	98.3	Very high	95.4	Very high	108 Å²	108	42.6 Å²	42.6	51%	0.505	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.5	167.6	-70.1	177.5	-30.1	0	0	108	I491 V523 G524	I491-Q531 WeakPolarHBondContact O-CA 3.47Å; V523-Q531 HydrophobicContact CG2-CB 4.45Å; V523-Q531 PolarHBondContact N-O 3.42Å; G524-Q531 PolarHBondContact N-O 3.21Å; G524-Q531 VanDerWaalsContact N-O 3.12Å; G524-Q531 PolarHBondContact O-N 3.32Å
532	G	97.6	Very high	95	Very high	11 Å²	11	43.4 Å²	43.4	11%	0.113	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	164.3	-177.4	0	0	0	0	0	113.9	I491 F492 V520 E521	I491-G532 PolarHBondContact O-N 3.49Å; F492-G532 WeakPolarHBondContact CB-O 3.36Å; V520-G532 VanDerWaalsContact CG1-CA 3.47Å; E521-G532 CarbonylContact O-C 3.53Å; E521-G532 WeakPolarHBondContact O-CA 3.22Å
533	K	96.2	Very high	94.5	Very high	129 Å²	129	44 Å²	44	56%	0.561	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	118	171.3	-179	-176.9	177.1	-174	0	108.1	V520 E521 V523	V520-K533 WeakPolarHBondContact CA-O 3.44Å; E521-K533 PolarHBondContact N-O 2.98Å; E521-K533 PolarHBondContact O-N 3.49Å; V523-K533 HydrophobicContact CG1-CB 4.19Å
534	A	95.3	Very high	93.6	Very high	3 Å²	3	41 Å²	41	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	133.6	177.6	0	0	0	0	0	110.8	F492 V496 F512 V518	F492-A534 HydrophobicContact CD2-CB 3.81Å; F492-A534 HydrophobicContact CE2-CB 4.19Å; V496-A534 HydrophobicContact CG1-CB 4.16Å; V496-A534 HydrophobicContact CG2-CB 4.42Å; F512-A534 HydrophobicContact CD2-CB 4.27Å; F512-A534 HydrophobicContact CE2-CB 3.31Å; F512-A534 HydrophobicContact CZ-CB 3.6Å; V518-A534 HydrophobicContact CG1-CB 3.83Å
535	L	92.4	Very high	92.5	Very high	39 Å²	39	47.8 Å²	47.8	20%	0.204	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-22.7	179.7	-55.9	-174.8	0	0	0	112.4	I464 L498 V519 E521 W548	I464-L535 HydrophobicContact CD1-CD1 4.17Å; I464-L535 HydrophobicContact CG1-CD1 4.44Å; I464-L535 HydrophobicContact CG2-CD1 4.07Å; L498-L535 WeakPolarHBondContact CD1-O 3.15Å; V519-L535 HydrophobicContact CB-CB 4.37Å; V519-L535 HydrophobicContact CG1-CB 4.31Å; V519-L535 HydrophobicContact CG1-CD1 4.16Å; V519-L535 PolarHBondContact O-N 3.28Å; E521-L535 HydrophobicContact CB-CD1 4.23Å; E521-L535 HydrophobicContact CB-CD2 4.3Å; E521-L535 HydrophobicContact CB-CG 4.39Å; L535-W548 HydrophobicContact CB-CH2 4.25Å; L535-W548 HydrophobicContact CD1-CE3 4.27Å; L535-W548 HydrophobicContact CD1-CH2 4.13Å; L535-W548 HydrophobicContact CD1-CZ3 3.6Å
536	G	91.6	Very high	91	Very high	10 Å²	10	49.4 Å²	49.4	10%	0.103	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.5	173.4	177.8	0	0	0	0	0	113	V519	V519-G536 PolarHBondContact N-O 2.92Å
537	L	92.9	Very high	88.9	Confident	87 Å²	87	54.7 Å²	54.7	46%	0.455	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	148.8	170.2	-72.3	168.2	0	0	0	110.5	M510 F512 D516 V518	M510-L537 HydrophobicContact CE-CB 3.81Å; M510-L537 HydrophobicContact CE-CD1 3.51Å; M510-L537 HydrophobicContact CE-CG 3.47Å; M510-L537 VanDerWaalsContact CE-CG 3.47Å; F512-L537 HydrophobicContact CD1-CD2 3.91Å; F512-L537 HydrophobicContact CD1-CG 4.25Å; F512-L537 HydrophobicContact CE1-CD2 4.22Å; F512-L537 HydrophobicContact CE1-CG 4.13Å; D516-L537 HydrophobicContact CB-CD2 3.63Å; V518-L537 HydrophobicContact CG2-CD2 4.26Å
538	S	92.9	Very high	87.1	Confident	27 Å²	27	58.5 Å²	58.5	19%	0.189	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	178.9	171.9	-176.7	0	0	0	0	108.9	Y517 V519 F543	Y517-S538 VanDerWaalsContact CB-O 3.3Å; Y517-S538 WeakPolarHBondContact CB-O 3.25Å; Y517-S538 PolarHBondContact O-N 3.33Å; V519-S538 VanDerWaalsContact CG2-CB 3.46Å; S538-F543 PolarHBondContact OG-N 2.82Å
539	T	92.7	Very high	85.2	Confident	46 Å²	46	56.1 Å²	56.1	28%	0.282	28%	0.283	S	S	.	.			trans	-104.5	167.6	161.5	66.8	0	0	0	0	109.7	E310 G541 D542 F543	E310-T539 WeakPolarHBondContact OE1-CB 3.34Å; E310-T539 VanDerWaalsContact OE2-CB 3.25Å; E310-T539 WeakPolarHBondContact OE2-CB 3.35Å; T539-G541 VanDerWaalsContact C-N 3.34Å; T539-D542 WeakPolarHBondContact CG2-OD2 3.48Å; T539-D542 WeakPolarHBondContact OG1-CB 3.44Å; T539-D542 PolarHBondContact OG1-N 2.86Å; T539-D542 PolarHBondContact OG1-OD2 3.25Å; T539-F543 WeakPolarHBondContact O-CB 3.11Å; T539-F543 PolarHBondContact O-N 3.22Å; T539-F543 VanDerWaalsContact O-N 3.17Å
540	L	90.5	Very high	82.9	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-67	-41.1	174.9	-170.3	59.6	0	0	0	110.1	E310 R312 N336 I466 Y517 C544	E310-L540 PolarHBondContact OE2-N 2.88Å; R312-L540 HydrophobicContact CB-CD2 4.03Å; N336-L540 HydrophobicContact CB-CD2 3.8Å; I466-L540 HydrophobicContact CG1-CD1 4.36Å; I466-L540 HydrophobicContact CG2-CD1 3.86Å; Y517-L540 HydrophobicContact CD2-CB 4.39Å; Y517-L540 HydrophobicContact CE1-CB 4.48Å; Y517-L540 HydrophobicContact CE1-CD1 4.48Å; Y517-L540 HydrophobicContact CE2-CB 4.03Å; L540-C544 WeakPolarHBondContact O-CB 3.37Å; L540-C544 PolarHBondContact O-N 2.86Å; L540-C544 PolarHBondContact O-SG 2.59Å; L540-C544 VanDerWaalsContact O-SG 3.34Å
541	G	87.5	Confident	80.5	Confident	14 Å²	14	63.5 Å²	63.5	14%	0.144	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-50.5	174.2	0	0	0	0	0	113.2	E310 T539 F543 C544 E545	E310-G541 PolarHBondContact OE1-N 2.86Å; T539-G541 VanDerWaalsContact C-N 3.34Å; G541-F543 PolarHBondContact O-N 3.06Å; G541-C544 VanDerWaalsContact O-CB 3.25Å; G541-C544 WeakPolarHBondContact O-CB 3.23Å; G541-C544 PolarHBondContact O-N 2.81Å; G541-C544 VanDerWaalsContact O-N 3.12Å; G541-E545 PolarHBondContact O-N 3.02Å
542	D	87.4	Confident	78.1	Confident	79 Å²	79	59.7 Å²	59.7	42%	0.422	31%	0.307	S	S	.	.	H	α-helix	trans	-64.7	-42.6	-176.7	-66.8	-35.7	0	0	0	111.9	T539 C544 E545 T546	T539-D542 WeakPolarHBondContact CG2-OD2 3.48Å; T539-D542 WeakPolarHBondContact OG1-CB 3.44Å; T539-D542 PolarHBondContact OG1-N 2.86Å; T539-D542 PolarHBondContact OG1-OD2 3.25Å; D542-C544 PolarHBondContact O-N 3.48Å; D542-C544 VanDerWaalsContact O-N 3.15Å; D542-E545 PolarHBondContact O-N 3.4Å; D542-T546 VanDerWaalsContact O-CB 3.27Å; D542-T546 WeakPolarHBondContact O-CB 3.11Å; D542-T546 WeakPolarHBondContact O-CG2 3.48Å; D542-T546 PolarHBondContact O-N 3.35Å; D542-T546 PolarHBondContact O-OG1 2.66Å
543	F	87.6	Confident	75.4	Confident	13 Å²	13	63.8 Å²	63.8	6%	0.057	33%	0.33	C	S	.	.	H	α-helix	trans	-57.2	-34.6	177.6	173.8	-99.2	0	0	0	111.6	I464 I466 V519 S538 T539 G541 W548	I464-F543 HydrophobicContact CG2-CE2 4.21Å; I466-F543 HydrophobicContact CB-CB 4.26Å; I466-F543 HydrophobicContact CB-CD1 3.6Å; I466-F543 HydrophobicContact CB-CD2 4.04Å; I466-F543 HydrophobicContact CB-CE1 3.87Å; I466-F543 HydrophobicContact CB-CE2 4.29Å; I466-F543 HydrophobicContact CB-CG 3.68Å; I466-F543 HydrophobicContact CB-CZ 4.21Å; I466-F543 HydrophobicContact CD1-CB 3.64Å; I466-F543 HydrophobicContact CD1-CD2 4.16Å; I466-F543 HydrophobicContact CD1-CG 3.88Å; I466-F543 HydrophobicContact CG1-CB 4.27Å; I466-F543 HydrophobicContact CG1-CD1 4.45Å; I466-F543 HydrophobicContact CG1-CG 4.23Å; I466-F543 HydrophobicContact CG2-CD1 3.59Å; I466-F543 HydrophobicContact CG2-CE1 3.75Å; I466-F543 HydrophobicContact CG2-CG 4.2Å; I466-F543 HydrophobicContact CG2-CZ 4.47Å; V519-F543 HydrophobicContact CG1-CD2 4.32Å; V519-F543 HydrophobicContact CG1-CE2 4.22Å; V519-F543 HydrophobicContact CG2-CD2 4.07Å; S538-F543 PolarHBondContact OG-N 2.82Å; T539-F543 WeakPolarHBondContact O-CB 3.11Å; T539-F543 PolarHBondContact O-N 3.22Å; T539-F543 VanDerWaalsContact O-N 3.17Å; G541-F543 PolarHBondContact O-N 3.06Å; F543-W548 HydrophobicContact CD2-CB 3.83Å; F543-W548 HydrophobicContact CD2-CG 4.21Å; F543-W548 HydrophobicContact CE2-CB 3.71Å; F543-W548 HydrophobicContact CE2-CG 4.42Å
544	C	80.1	Confident	72.4	Confident	19 Å²	19	61.7 Å²	61.7	13%	0.128	34%	0.337	C	S	.	.	H	α-helix	trans	-78.9	-16.9	-179.5	-83.8	0	0	0	0	115.1	K335 L540 G541 D542	K335-C544 HydrophobicContact CB-CB 4.31Å; K335-C544 HydrophobicContact CD-CB 3.3Å; K335-C544 HydrophobicContact CG-CB 4.44Å; K335-C544 PolarHBondContact NZ-O 2.85Å; L540-C544 WeakPolarHBondContact O-CB 3.37Å; L540-C544 PolarHBondContact O-N 2.86Å; L540-C544 PolarHBondContact O-SG 2.59Å; L540-C544 VanDerWaalsContact O-SG 3.34Å; G541-C544 VanDerWaalsContact O-CB 3.25Å; G541-C544 WeakPolarHBondContact O-CB 3.23Å; G541-C544 PolarHBondContact O-N 2.81Å; G541-C544 VanDerWaalsContact O-N 3.12Å; D542-C544 PolarHBondContact O-N 3.48Å; D542-C544 VanDerWaalsContact O-N 3.15Å
545	E	75.1	Confident	69.6	Low	153 Å²	153	67.8 Å²	67.8	72%	0.715	36%	0.363	S	S	*	.	H	α-helix	trans	-105.8	-22.5	179.3	-68.8	-178	-177.4	0	0	113	G541 D542	G541-E545 PolarHBondContact O-N 3.02Å; D542-E545 PolarHBondContact O-N 3.4Å
546	T	66.7	Low	66.7	Low	57 Å²	57	70.2 Å²	70.2	35%	0.35	38%	0.376	S	S	.	.	S	Bend	trans	-89.2	172.4	-171.9	52	0	0	0	0	113.9	D542 W548 H549	D542-T546 VanDerWaalsContact O-CB 3.27Å; D542-T546 WeakPolarHBondContact O-CB 3.11Å; D542-T546 WeakPolarHBondContact O-CG2 3.48Å; D542-T546 PolarHBondContact O-N 3.35Å; D542-T546 PolarHBondContact O-OG1 2.66Å; T546-W548 PolarHBondContact O-N 3.44Å; T546-H549 PolarHBondContact O-N 3.2Å
547	K	54.8	Low	63.7	Low	173 Å²	173	81 Å²	81	75%	0.752	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.6	-178.7	-68.5	-176.5	-180	179	0	114.5	H549 N550 V551	K547-H549 PolarHBondContact O-N 3.09Å; K547-N550 PolarHBondContact O-N 3.18Å; K547-N550 VanDerWaalsContact O-N 3.08Å; K547-V551 PolarHBondContact O-N 3.22Å
548	W	58.6	Low	62.2	Low	91 Å²	91	80.8 Å²	80.8	35%	0.345	43%	0.425	S	S	.	.	H	α-helix	trans	-54.8	-35.3	177.5	-57.3	122	0	0	0	111.8	I464 V519 L535 F543 T546 V551	I464-W548 HydrophobicContact CD1-CE3 3.76Å; I464-W548 HydrophobicContact CD1-CZ3 4.13Å; I464-W548 HydrophobicContact CG2-CB 4.32Å; I464-W548 HydrophobicContact CG2-CD2 4.47Å; I464-W548 HydrophobicContact CG2-CE3 3.94Å; V519-W548 HydrophobicContact CG1-CD2 3.95Å; V519-W548 HydrophobicContact CG1-CE3 4.14Å; V519-W548 HydrophobicContact CG1-CG 4.23Å; L535-W548 HydrophobicContact CB-CH2 4.25Å; L535-W548 HydrophobicContact CD1-CE3 4.27Å; L535-W548 HydrophobicContact CD1-CH2 4.13Å; L535-W548 HydrophobicContact CD1-CZ3 3.6Å; F543-W548 HydrophobicContact CD2-CB 3.83Å; F543-W548 HydrophobicContact CD2-CG 4.21Å; F543-W548 HydrophobicContact CE2-CB 3.71Å; F543-W548 HydrophobicContact CE2-CG 4.42Å; T546-W548 PolarHBondContact O-N 3.44Å; W548-V551 PolarHBondContact O-N 3.01Å
549	H	54.3	Low	60.6	Low	82 Å²	82	83.6 Å²	83.6	38%	0.38	44%	0.437	S	S	.	.	H	α-helix	trans	-70.4	-33.3	-180	-140.7	-55.2	0	0	0	113.4	T546 K547 V551 N552	T546-H549 PolarHBondContact O-N 3.2Å; K547-H549 PolarHBondContact O-N 3.09Å; H549-V551 VanDerWaalsContact C-N 3.3Å; H549-V551 PolarHBondContact O-N 2.98Å; H549-N552 PolarHBondContact O-N 3.15Å
550	N	49.4	Very low	58.8	Low	118 Å²	118	85.7 Å²	85.7	63%	0.631	45%	0.446	S	S	*	.	H	α-helix	trans	-73.7	-20.2	-179.7	-72.8	-21.7	0	0	0	113	K547 N552 T553	K547-N550 PolarHBondContact O-N 3.18Å; K547-N550 VanDerWaalsContact O-N 3.08Å; N550-N552 VanDerWaalsContact C-N 3.33Å; N550-T553 PolarHBondContact O-OG1 3.4Å
551	V	49.4	Very low	57	Low	70 Å²	70	90.4 Å²	90.4	42%	0.424	47%	0.47	S	S	.	.	H	α-helix	trans	-73.8	-28.8	176.3	-174.8	0	0	0	0	111	I464 K547 W548 H549	I464-V551 HydrophobicContact CD1-CB 3.99Å; I464-V551 HydrophobicContact CD1-CG1 3.87Å; I464-V551 HydrophobicContact CD1-CG2 4.25Å; I464-V551 HydrophobicContact CG1-CG1 4.44Å; K547-V551 PolarHBondContact O-N 3.22Å; W548-V551 PolarHBondContact O-N 3.01Å; H549-V551 VanDerWaalsContact C-N 3.3Å; H549-V551 PolarHBondContact O-N 2.98Å
552	N	47.6	Very low	55.1	Low	27 Å²	27	95.2 Å²	95.2	14%	0.144	49%	0.491	C	S	.	.	H	α-helix	trans	-72.7	-36.7	-179.6	-83.5	-19.8	0	0	0	113.6	T463 I464 H549 N550 A554 K555	T463-N552 WeakPolarHBondContact CA-OD1 3.09Å; T463-N552 VanDerWaalsContact CB-OD1 3.31Å; T463-N552 WeakPolarHBondContact CB-OD1 3.18Å; I464-N552 PolarHBondContact N-OD1 3.44Å; I464-N552 PolarHBondContact O-ND2 3.28Å; I464-N552 PolarHBondContact O-OD1 3.38Å; H549-N552 PolarHBondContact O-N 3.15Å; N550-N552 VanDerWaalsContact C-N 3.33Å; N552-A554 PolarHBondContact O-N 3.46Å; N552-K555 PolarHBondContact O-N 3.47Å
553	T	39.7	Very low	52.9	Low	97 Å²	97	96.3 Å²	96.3	60%	0.595	50%	0.495	S	S	*	.	H	α-helix	trans	-68	-22	-176.9	29.6	0	0	0	0	113.3	N550 K555	N550-T553 PolarHBondContact O-OG1 3.4Å; T553-K555 PolarHBondContact O-N 3.4Å
554	A	34.9	Very low	50.4	Low	86 Å²	86	102.2 Å²	102.2	71%	0.711	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.6	-179.9	0	0	0	0	0	115	N552	N552-A554 PolarHBondContact O-N 3.46Å
555	K	34.8	Very low	48.2	Very low	131 Å²	131	108.6 Å²	108.6	57%	0.57	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.3	-11.7	-176.1	-82	-173.7	-177.2	173.9	0	115.8	G462 N552 T553	G462-K555 PolarHBondContact O-NZ 3.01Å; N552-K555 PolarHBondContact O-N 3.47Å; T553-K555 PolarHBondContact O-N 3.4Å
556	I	31.4	Very low	45.9	Very low	90 Å²	90	104.9 Å²	104.9	46%	0.462	54%	0.544	S	S	.	.			trans	-99.3	-9.1	-172	-59	174.7	0	0	0	112.8	T463	T463-I556 HydrophobicContact CG2-CD1 4.05Å; T463-I556 HydrophobicContact CG2-CG1 4.42Å
557	M	29.2	Very low	44	Very low	237 Å²	237	109.3 Å²	109.3	100%	1.167	56%	0.562	S	S	*	*			trans	-82.2	0	162	-71.5	-169.2	-179	0	0	110.2

Retrieved 557 of 557 residues in 963.4 ms (Link to these results)

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