A0A077ZCQ5_TRITR Loading...

tRNA dimethylallyltransferase

AlphaFold DB , UniProt , Accession A0A077ZCQ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 398 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	30.5	Very low	30.3	Very low	241 Å²	241	195.6 Å²	195.6	100%	1.187	92%	0.919	S	S	*	*				0	147.1	0	-90.6	-178.8	169.6	0	0	109.2
2	R	31.4	Very low	29.8	Very low	249 Å²	249	189.6 Å²	189.6	94%	0.94	91%	0.911	S	S	*	*			trans	96.5	102	174.8	-61.8	-172.2	176.1	-175.1	-0.9	117.2
3	T	24.4	Very low	29.6	Very low	133 Å²	133	190.3 Å²	190.3	82%	0.816	91%	0.909	S	S	*	*			trans	-87.4	141.1	163.9	41.1	0	0	0	0	111.1
4	T	32.4	Very low	29.5	Very low	150 Å²	150	188 Å²	188	92%	0.92	90%	0.896	S	S	*	*			trans	-153.6	132.3	147.3	21.8	0	0	0	0	110.1
5	K	26.7	Very low	29.4	Very low	202 Å²	202	190.1 Å²	190.1	88%	0.878	90%	0.901	S	S	*	*			trans	-91.5	146.2	176.8	-75.5	177.1	174.1	176	0	109.8
6	F	30.3	Very low	29.4	Very low	222 Å²	222	190.3 Å²	190.3	97%	0.974	90%	0.904	S	S	*	*			trans	-146.2	149.9	147.4	-110.1	-83.1	0	0	0	112.2
7	H	33.5	Very low	29.2	Very low	184 Å²	184	185.9 Å²	185.9	85%	0.852	89%	0.887	S	S	*	*			trans	-95.5	162.1	-157.2	-131.5	22.3	0	0	0	114.2
8	K	30.2	Very low	29.5	Very low	197 Å²	197	185.8 Å²	185.8	86%	0.857	88%	0.883	S	S	*	*			trans	-63.7	148.1	-167.3	-68	172.6	170.4	177.8	0	115.7
9	S	34.5	Very low	30.1	Very low	125 Å²	125	181.3 Å²	181.3	87%	0.874	86%	0.863	S	S	*	*			trans	-143.9	144.1	136.8	101.6	0	0	0	0	111.5
10	K	29.8	Very low	30.6	Very low	200 Å²	200	177.3 Å²	177.3	87%	0.87	85%	0.853	S	S	*	*			trans	-78.6	137.4	-166	-64.9	169.6	173.5	178.3	0	111.8
11	R	29.7	Very low	31.6	Very low	249 Å²	249	173.6 Å²	173.6	94%	0.94	83%	0.833	S	S	*	*			trans	-155	131.4	143.4	-107.3	171.3	-145.1	-164.9	5	110.4
12	C	24.7	Very low	32.6	Very low	123 Å²	123	163.7 Å²	163.7	83%	0.831	79%	0.787	S	S	*	*			trans	-63.6	123	-176.3	-53.5	0	0	0	0	111.7
13	F	27.2	Very low	34.6	Very low	199 Å²	199	156.3 Å²	156.3	87%	0.873	77%	0.773	S	S	*	*			trans	179.3	162	146	-93.4	-76.3	0	0	0	102.8
14	E	28.2	Very low	37.4	Very low	158 Å²	158	153.9 Å²	153.9	74%	0.738	75%	0.752	S	S	*	*			trans	81.2	100	173.4	-49.4	166.6	166.3	0	0	116.7	D17	E14-D17 WeakPolarHBondContact CB-OD2 3.34Å
15	F	27.4	Very low	40.2	Very low	219 Å²	219	148.8 Å²	148.8	96%	0.961	72%	0.721	S	S	*	*			trans	-137.5	58.2	160.8	-111.3	-83	0	0	0	109.4
16	M	28.8	Very low	43.5	Very low	193 Å²	193	139.2 Å²	139.2	95%	0.951	68%	0.679	S	S	*	*	S	Bend	trans	-132.1	27.1	157	-89.2	-168.7	168.1	0	0	110.6
17	D	27.2	Very low	46.5	Very low	116 Å²	116	129.6 Å²	129.6	62%	0.62	64%	0.638	S	S	*	*			trans	-104.1	130.6	-179.5	-72.6	-55.5	0	0	0	111.9	E14	E14-D17 WeakPolarHBondContact CB-OD2 3.34Å
18	F	34.7	Very low	49.5	Very low	184 Å²	184	120.9 Å²	120.9	81%	0.807	60%	0.598	S	S	*	*			trans	79.2	85.9	163.7	-123.1	-97.2	0	0	0	117.3	P20	F18-P20 VanDerWaalsContact O-CD 3.29Å; F18-P20 WeakPolarHBondContact O-CD 3.39Å
19	I	39.8	Very low	52.7	Low	101 Å²	101	111.5 Å²	111.5	52%	0.518	56%	0.557	S	S	.	*			trans	-59.4	118.4	154.5	-62	177.9	0	0	0	107.1	K21	I19-K21 PolarHBondContact O-N 3.03Å
20	P	40.9	Very low	55.5	Low	101 Å²	101	105.5 Å²	105.5	66%	0.656	52%	0.515	S	S	*	.			trans	-60.4	123.4	176.7	-16.4	28.5	0	0	0	108.7	F18 C22	F18-P20 VanDerWaalsContact O-CD 3.29Å; F18-P20 WeakPolarHBondContact O-CD 3.39Å; P20-C22 PolarHBondContact O-N 3.33Å
21	K	50.4	Low	58.5	Low	100 Å²	100	96 Å²	96	44%	0.435	47%	0.474	S	S	.	.			trans	-49.9	106.4	167.5	-91.6	178.7	169	-171.1	0	108.2	I19 S23 T221 D337	I19-K21 PolarHBondContact O-N 3.03Å; K21-S23 PolarHBondContact O-N 3.39Å; K21-T221 HydrophobicContact CB-CG2 3.61Å; K21-T221 HydrophobicContact CD-CG2 3.63Å; K21-T221 HydrophobicContact CG-CG2 3.7Å; K21-D337 IonicContact NZ-OD2 3.65Å; K21-D337 PolarHBondContact NZ-OD2 3.16Å
22	C	53.2	Low	61.5	Low	33 Å²	33	84.3 Å²	84.3	22%	0.223	43%	0.43	C	S	.	.	B	Isolated β-bridge	trans	-75.4	119.6	-169.1	-171.9	0	0	0	0	109.4	P20 K24 R219 F220 T221	P20-C22 PolarHBondContact O-N 3.33Å; C22-K24 PolarHBondContact O-N 2.81Å; C22-K24 VanDerWaalsContact SG-CB 3.53Å; C22-K24 VanDerWaalsContact SG-CG 3.52Å; C22-R219 PolarHBondContact N-O 3.32Å; C22-R219 VanDerWaalsContact N-O 3.12Å; C22-F220 HydrophobicContact CB-CD1 3.89Å; C22-F220 HydrophobicContact CB-CE1 4.3Å; C22-T221 PolarHBondContact O-N 2.96Å; C22-T221 VanDerWaalsContact O-N 3.15Å; C22-T221 PolarHBondContact O-OG1 3.11Å
23	S	72.2	Confident	64.7	Low	93 Å²	93	79.1 Å²	79.1	65%	0.65	40%	0.395	S	S	*	.			trans	-73.4	-7.5	176.6	56.5	0	0	0	0	113.4	K21 N222	K21-S23 PolarHBondContact O-N 3.39Å; S23-N222 WeakPolarHBondContact O-CB 3.39Å; S23-N222 PolarHBondContact O-ND2 3.42Å
24	K	83.9	Confident	67.5	Low	83 Å²	83	70.6 Å²	70.6	36%	0.361	36%	0.363	S	S	.	.	S	Bend	trans	-73.9	141.2	-178.6	-55.1	-178.4	-177.3	177.4	0	110.5	C22 H111	C22-K24 PolarHBondContact O-N 2.81Å; C22-K24 VanDerWaalsContact SG-CB 3.53Å; C22-K24 VanDerWaalsContact SG-CG 3.52Å; K24-H111 WeakPolarHBondContact CB-CE1 3.35Å; K24-H111 HydrophobicContact CD-CB 3.73Å; K24-H111 VanDerWaalsContact CD-ND1 3.35Å; K24-H111 WeakPolarHBondContact CD-ND1 3.47Å
25	P	91.6	Very high	70.5	Confident	42 Å²	42	63 Å²	63	27%	0.273	33%	0.327	S	S	.	.			trans	-69.8	142.7	-173	28.4	-35	0	0	0	112.2	H111 I116 P117 N222	P25-H111 PolarHBondContact O-NE2 2.77Å; P25-I116 HydrophobicContact CB-CG2 4.4Å; P25-I116 HydrophobicContact CG-CG1 4.2Å; P25-I116 HydrophobicContact CG-CG2 4.31Å; P25-P117 WeakPolarHBondContact O-CD 3.15Å; P25-P117 WeakPolarHBondContact O-CG 3.47Å; P25-N222 CarbonylContact C-O 3.56Å; P25-N222 VanDerWaalsContact CA-O 3.26Å; P25-N222 WeakPolarHBondContact CA-O 3.41Å
26	L	94.8	Very high	73.4	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	121.8	165.9	177.1	63.2	0	0	0	109.3	V28 I107 P117 M119 L131 F220 N222 S223 L224	L26-V28 HydrophobicContact CD2-CG2 4.26Å; L26-V28 HydrophobicContact CG-CG2 4.11Å; L26-I107 HydrophobicContact CD1-CD1 3.91Å; L26-I107 HydrophobicContact CD1-CG1 4.47Å; L26-I107 HydrophobicContact CD2-CD1 4.27Å; L26-P117 HydrophobicContact CD1-CB 4.03Å; L26-P117 HydrophobicContact CD1-CG 3.88Å; L26-M119 HydrophobicContact CD1-CB 4.42Å; L26-L131 HydrophobicContact CD2-CD2 4.13Å; L26-F220 HydrophobicContact CB-CB 4.16Å; L26-F220 HydrophobicContact CB-CD1 4.43Å; L26-F220 HydrophobicContact CB-CD2 4.44Å; L26-F220 HydrophobicContact CB-CG 4.11Å; L26-F220 HydrophobicContact CD2-CB 4.47Å; L26-F220 HydrophobicContact CD2-CD2 3.46Å; L26-F220 VanDerWaalsContact CD2-CD2 3.46Å; L26-F220 HydrophobicContact CD2-CE2 3.77Å; L26-F220 HydrophobicContact CD2-CG 3.99Å; L26-N222 PolarHBondContact N-O 3.26Å; L26-S223 CarbonylContact O-C 3.57Å; L26-S223 VanDerWaalsContact O-CA 3.27Å; L26-S223 WeakPolarHBondContact O-CA 3.47Å; L26-L224 PolarHBondContact O-N 3.28Å
27	I	94.6	Very high	76.4	Confident	21 Å²	21	46 Å²	46	11%	0.108	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	135.4	173.1	-54.1	177.8	0	0	0	108.6	L44 I48 I116 P117 V118 M119 L224 L226	I27-L44 HydrophobicContact CD1-CD2 4.05Å; I27-L44 HydrophobicContact CG2-CD2 3.88Å; I27-I48 HydrophobicContact CD1-CD1 3.54Å; I27-I116 HydrophobicContact CD1-CG2 4.05Å; I27-I116 HydrophobicContact CG1-CG2 4.18Å; I27-P117 PolarHBondContact N-O 2.85Å; I27-P117 VanDerWaalsContact N-O 3.12Å; I27-V118 HydrophobicContact CB-CG2 4.29Å; I27-V118 CarbonylContact O-C 3.57Å; I27-V118 WeakPolarHBondContact O-CA 3.44Å; I27-M119 PolarHBondContact O-N 3.12Å; I27-L224 CarbonylContact C-O 3.57Å; I27-L224 WeakPolarHBondContact CA-O 3.41Å; I27-L224 HydrophobicContact CG1-CB 4.45Å; I27-L224 HydrophobicContact CG2-CD2 4.44Å; I27-L226 HydrophobicContact CG2-CD1 4.19Å; I27-L226 HydrophobicContact CG2-CG 4.4Å
28	V	96.4	Very high	79.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.6	179.4	179.5	0	0	0	0	109.5	L26 L30 M119 I127 L131 L224 I225 L226	L26-V28 HydrophobicContact CD2-CG2 4.26Å; L26-V28 HydrophobicContact CG-CG2 4.11Å; V28-L30 HydrophobicContact CG1-CD2 3.92Å; V28-L30 HydrophobicContact CG1-CG 4.11Å; V28-M119 CarbonylContact C-O 3.55Å; V28-M119 WeakPolarHBondContact CA-O 3.16Å; V28-M119 HydrophobicContact CG2-CB 4.26Å; V28-I127 HydrophobicContact CG1-CD1 4.49Å; V28-I127 HydrophobicContact CG1-CG2 3.43Å; V28-I127 VanDerWaalsContact CG1-CG2 3.43Å; V28-L131 HydrophobicContact CG2-CD1 4.28Å; V28-L131 HydrophobicContact CG2-CD2 3.82Å; V28-L131 HydrophobicContact CG2-CG 4.22Å; V28-L224 PolarHBondContact N-O 2.89Å; V28-I225 HydrophobicContact CB-CG1 4.23Å; V28-I225 CarbonylContact O-C 3.56Å; V28-I225 WeakPolarHBondContact O-CA 3.27Å; V28-L226 PolarHBondContact O-N 3.21Å
29	I	96	Very high	82.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	108.2	175.8	-61	170.5	0	0	0	109.4	K37 L40 A41 L44 V118 M119 V120 L226 T228	I29-K37 HydrophobicContact CG2-CB 3.98Å; I29-K37 HydrophobicContact CG2-CG 4.42Å; I29-L40 HydrophobicContact CD1-CD2 4.25Å; I29-L40 HydrophobicContact CD1-CG 4.05Å; I29-L40 HydrophobicContact CG1-CD2 4.48Å; I29-L40 HydrophobicContact CG2-CD2 4.03Å; I29-A41 VanDerWaalsContact CD1-CA 3.48Å; I29-A41 HydrophobicContact CD1-CB 3.71Å; I29-L44 HydrophobicContact CD1-CD2 4.17Å; I29-V118 HydrophobicContact CD1-CG1 3.64Å; I29-V118 HydrophobicContact CG1-CG1 4.17Å; I29-M119 PolarHBondContact N-O 3.34Å; I29-V120 HydrophobicContact CB-CB 4.38Å; I29-V120 HydrophobicContact CB-CG2 4.08Å; I29-V120 HydrophobicContact CG2-CG2 4.21Å; I29-L226 CarbonylContact C-O 3.54Å; I29-L226 WeakPolarHBondContact CA-O 3.24Å; I29-L226 HydrophobicContact CG1-CB 4.26Å; I29-L226 HydrophobicContact CG1-CD1 4.35Å; I29-T228 HydrophobicContact CG2-CG2 4.24Å
30	L	93.8	Very high	84.7	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	155.6	176.1	-61.9	-179.2	0	0	0	111.7	V28 I127 I225 L226 W227 T228 I326 F330	V28-L30 HydrophobicContact CG1-CD2 3.92Å; V28-L30 HydrophobicContact CG1-CG 4.11Å; L30-I127 HydrophobicContact CD2-CB 4.43Å; L30-I127 HydrophobicContact CD2-CD1 3.48Å; L30-I127 VanDerWaalsContact CD2-CD1 3.48Å; L30-I127 HydrophobicContact CD2-CG2 3.94Å; L30-I225 HydrophobicContact CD1-CG2 3.45Å; L30-I225 VanDerWaalsContact CD1-CG2 3.45Å; L30-I225 HydrophobicContact CG-CG2 3.87Å; L30-L226 PolarHBondContact N-O 2.94Å; L30-W227 HydrophobicContact CB-CB 4.42Å; L30-T228 PolarHBondContact O-N 2.88Å; L30-T228 PolarHBondContact O-OG1 3.25Å; L30-I326 HydrophobicContact CB-CD1 4.21Å; L30-I326 HydrophobicContact CD1-CG2 4.3Å; L30-F330 HydrophobicContact CD1-CB 4.38Å; L30-F330 HydrophobicContact CD1-CD1 3.54Å; L30-F330 HydrophobicContact CD1-CD2 4.38Å; L30-F330 HydrophobicContact CD1-CE1 3.77Å; L30-F330 HydrophobicContact CD1-CG 3.86Å; L30-F330 HydrophobicContact CD1-CZ 4.29Å; L30-F330 HydrophobicContact CD2-CE1 4.27Å; L30-F330 HydrophobicContact CD2-CZ 4.29Å
31	G	92.7	Very high	87.3	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.8	173.3	169.9	0	0	0	0	0	112	K37	G31-K37 WeakPolarHBondContact O-CD 3.45Å
32	S	92.9	Very high	89.4	Confident	3 Å²	3	30.2 Å²	30.2	2%	0.021	17%	0.172	C	C	.	.			trans	-72.4	163.2	171.5	57.8	0	0	0	0	111.7	G34 S35 K37 L235	S32-G34 PolarHBondContact O-N 3.22Å; S32-S35 PolarHBondContact N-OG 2.85Å; S32-S35 WeakPolarHBondContact O-CB 3.26Å; S32-S35 PolarHBondContact O-N 2.67Å; S32-S35 PolarHBondContact O-OG 2.88Å; S32-K37 PolarHBondContact O-NZ 3.01Å; S32-L235 VanDerWaalsContact OG-CD2 3.31Å; S32-L235 WeakPolarHBondContact OG-CD2 3.47Å
33	T	91.3	Very high	91.2	Very high	15 Å²	15	33.3 Å²	33.3	9%	0.092	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	136.6	160.6	-169.8	0	0	0	0	109.8	S35 L235 L239 R242 T315 Y318 A319	T33-S35 PolarHBondContact O-N 3.43Å; T33-L235 WeakPolarHBondContact O-CD1 3.34Å; T33-L239 HydrophobicContact CG2-CD1 4.48Å; T33-L239 HydrophobicContact CG2-CD2 3.99Å; T33-R242 PolarHBondContact OG1-NH1 3.4Å; T33-T315 HydrophobicContact CG2-CG2 3.77Å; T33-Y318 HydrophobicContact CG2-CD1 4.05Å; T33-A319 HydrophobicContact CG2-CB 3.93Å
34	G	87.5	Confident	92.2	Very high	19 Å²	19	30.7 Å²	30.7	20%	0.196	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-0.7	-177.3	0	0	0	0	0	117.5	S32 G36	S32-G34 PolarHBondContact O-N 3.22Å; G34-G36 VanDerWaalsContact C-N 3.35Å; G34-G36 PolarHBondContact O-N 2.79Å
35	S	89.9	Confident	92.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-82	-0.9	-178.5	55.5	0	0	0	0	115.8	S32 T33 K37 T228	S32-S35 PolarHBondContact N-OG 2.85Å; S32-S35 WeakPolarHBondContact O-CB 3.26Å; S32-S35 PolarHBondContact O-N 2.67Å; S32-S35 PolarHBondContact O-OG 2.88Å; T33-S35 PolarHBondContact O-N 3.43Å; S35-K37 VanDerWaalsContact OG-CG 3.24Å; S35-K37 WeakPolarHBondContact OG-CG 3.38Å; S35-T228 PolarHBondContact OG-OG1 3.17Å; S35-T228 VanDerWaalsContact OG-OG1 3.07Å
36	G	88	Confident	92.7	Very high	37 Å²	37	32 Å²	32	38%	0.381	16%	0.16	S	C	.	.	S	Bend	trans	92.2	5.8	179.9	0	0	0	0	0	115.8	G34 S38 R39 L40	G34-G36 VanDerWaalsContact C-N 3.35Å; G34-G36 PolarHBondContact O-N 2.79Å; G36-S38 PolarHBondContact O-N 3.5Å; G36-R39 PolarHBondContact O-N 3.4Å; G36-L40 PolarHBondContact O-N 2.93Å; G36-L40 VanDerWaalsContact O-N 3.09Å
37	K	93.2	Very high	92.6	Very high	18 Å²	18	36 Å²	36	8%	0.078	19%	0.192	C	C	.	.	H	α-helix	trans	-46	-50.9	-178.7	-48.1	-178.5	-59.9	-54.2	0	114.9	I29 G31 S32 S35 L40 A41 V120 G121 T228	I29-K37 HydrophobicContact CG2-CB 3.98Å; I29-K37 HydrophobicContact CG2-CG 4.42Å; G31-K37 WeakPolarHBondContact O-CD 3.45Å; S32-K37 PolarHBondContact O-NZ 3.01Å; S35-K37 VanDerWaalsContact OG-CG 3.24Å; S35-K37 WeakPolarHBondContact OG-CG 3.38Å; K37-L40 PolarHBondContact O-N 3.28Å; K37-A41 WeakPolarHBondContact O-CB 3.39Å; K37-A41 PolarHBondContact O-N 3.21Å; K37-V120 HydrophobicContact CB-CG2 3.64Å; K37-G121 WeakPolarHBondContact CE-O 3.05Å; K37-T228 WeakPolarHBondContact CG-OG1 3.44Å
38	S	91.9	Very high	92.3	Very high	40 Å²	40	37.5 Å²	37.5	28%	0.28	20%	0.2	S	C	.	.	H	α-helix	trans	-65.8	-41.4	-175.1	-52.3	0	0	0	0	111.5	G36 A41 I42	G36-S38 PolarHBondContact O-N 3.5Å; S38-A41 PolarHBondContact O-N 3.15Å; S38-I42 WeakPolarHBondContact O-CD1 3.46Å; S38-I42 VanDerWaalsContact O-CG1 3.31Å; S38-I42 WeakPolarHBondContact O-CG1 3.44Å; S38-I42 PolarHBondContact O-N 3.12Å
39	R	91.5	Very high	92.1	Very high	169 Å²	169	41.8 Å²	41.8	64%	0.638	23%	0.23	S	C	*	.	H	α-helix	trans	-60	-47.9	174.8	179.5	178.2	174.2	176.7	1.2	111.1	G36 A41 I42 E43	G36-R39 PolarHBondContact O-N 3.4Å; R39-A41 VanDerWaalsContact C-N 3.31Å; R39-A41 PolarHBondContact O-N 3.38Å; R39-I42 PolarHBondContact O-N 3.43Å; R39-E43 WeakPolarHBondContact CG-OE1 3.45Å; R39-E43 IonicContact CZ-OE1 2.67Å; R39-E43 IonicContact NE-OE1 3.63Å; R39-E43 PolarHBondContact NE-OE1 3.5Å; R39-E43 IonicContact NH2-OE1 3.83Å; R39-E43 PolarHBondContact NH2-OE1 3.01Å; R39-E43 WeakPolarHBondContact O-CG 3.35Å; R39-E43 PolarHBondContact O-N 2.95Å
40	L	92.1	Very high	92	Very high	45 Å²	45	42.1 Å²	42.1	24%	0.236	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-41.8	176.1	178.3	64.2	0	0	0	111.7	I29 G36 K37 L44 T228 L344	I29-L40 HydrophobicContact CD1-CD2 4.25Å; I29-L40 HydrophobicContact CD1-CG 4.05Å; I29-L40 HydrophobicContact CG1-CD2 4.48Å; I29-L40 HydrophobicContact CG2-CD2 4.03Å; G36-L40 PolarHBondContact O-N 2.93Å; G36-L40 VanDerWaalsContact O-N 3.09Å; K37-L40 PolarHBondContact O-N 3.28Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 PolarHBondContact O-N 3.29Å; L40-T228 HydrophobicContact CD2-CG2 3.64Å; L40-L344 HydrophobicContact CD2-CD1 3.59Å
41	A	95.1	Very high	92.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.3	-43.5	178.8	0	0	0	0	0	112.1	I29 K37 S38 R39 L44 C45 I52 V118 V120	I29-A41 VanDerWaalsContact CD1-CA 3.48Å; I29-A41 HydrophobicContact CD1-CB 3.71Å; K37-A41 WeakPolarHBondContact O-CB 3.39Å; K37-A41 PolarHBondContact O-N 3.21Å; S38-A41 PolarHBondContact O-N 3.15Å; R39-A41 VanDerWaalsContact C-N 3.31Å; R39-A41 PolarHBondContact O-N 3.38Å; A41-L44 PolarHBondContact O-N 3.05Å; A41-C45 VanDerWaalsContact O-CB 3.31Å; A41-C45 WeakPolarHBondContact O-CB 3.41Å; A41-C45 PolarHBondContact O-N 3.37Å; A41-C45 PolarHBondContact O-SG 3.33Å; A41-I52 HydrophobicContact CB-CD1 3.96Å; A41-I52 HydrophobicContact CB-CG1 4.29Å; A41-V118 HydrophobicContact CB-CG1 4.35Å; A41-V120 HydrophobicContact CB-CB 4.03Å; A41-V120 HydrophobicContact CB-CG1 4.09Å; A41-V120 HydrophobicContact CB-CG2 4.09Å
42	I	94.4	Very high	92.4	Very high	15 Å²	15	42.4 Å²	42.4	8%	0.077	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-49.9	178.1	-66.6	156.7	0	0	0	110.6	S38 R39 L44 C45 R46 I52 E75 L77 V79	S38-I42 WeakPolarHBondContact O-CD1 3.46Å; S38-I42 VanDerWaalsContact O-CG1 3.31Å; S38-I42 WeakPolarHBondContact O-CG1 3.44Å; S38-I42 PolarHBondContact O-N 3.12Å; R39-I42 PolarHBondContact O-N 3.43Å; I42-L44 VanDerWaalsContact C-N 3.31Å; I42-L44 PolarHBondContact O-N 2.88Å; I42-C45 PolarHBondContact O-N 3.02Å; I42-R46 WeakPolarHBondContact O-CG 3.4Å; I42-R46 PolarHBondContact O-N 3.35Å; I42-I52 HydrophobicContact CG1-CD1 3.76Å; I42-E75 WeakPolarHBondContact CD1-O 3.24Å; I42-L77 HydrophobicContact CG2-CD1 4.39Å; I42-V79 HydrophobicContact CG2-CG2 4.21Å
43	E	92.2	Very high	92.6	Very high	99 Å²	99	42.3 Å²	42.3	46%	0.463	23%	0.234	S	C	.	.	H	α-helix	trans	-58.8	-43.3	178	-72.3	173.7	-175.9	0	0	111.2	R39 R46 A47	R39-E43 WeakPolarHBondContact CG-OE1 3.45Å; R39-E43 IonicContact CZ-OE1 2.67Å; R39-E43 IonicContact NE-OE1 3.63Å; R39-E43 PolarHBondContact NE-OE1 3.5Å; R39-E43 IonicContact NH2-OE1 3.83Å; R39-E43 PolarHBondContact NH2-OE1 3.01Å; R39-E43 WeakPolarHBondContact O-CG 3.35Å; R39-E43 PolarHBondContact O-N 2.95Å; E43-R46 PolarHBondContact O-N 2.68Å; E43-A47 PolarHBondContact O-N 3.22Å
44	L	91.5	Very high	92.9	Very high	37 Å²	37	41.6 Å²	41.6	19%	0.194	23%	0.23	C	C	.	.	H	α-helix	trans	-64.4	-50.5	177.4	-179.1	63.2	0	0	0	112	I27 I29 L40 A41 I42 R46 A47 I48 V118 L226	I27-L44 HydrophobicContact CD1-CD2 4.05Å; I27-L44 HydrophobicContact CG2-CD2 3.88Å; I29-L44 HydrophobicContact CD1-CD2 4.17Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 PolarHBondContact O-N 3.29Å; A41-L44 PolarHBondContact O-N 3.05Å; I42-L44 VanDerWaalsContact C-N 3.31Å; I42-L44 PolarHBondContact O-N 2.88Å; L44-R46 PolarHBondContact O-N 3.12Å; L44-A47 PolarHBondContact O-N 2.88Å; L44-I48 HydrophobicContact CD1-CD1 4.15Å; L44-I48 HydrophobicContact CD1-CG2 4.03Å; L44-I48 HydrophobicContact CD2-CD1 4.48Å; L44-I48 HydrophobicContact CG-CD1 3.95Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 3.17Å; L44-V118 HydrophobicContact CD2-CG1 4.16Å; L44-V118 HydrophobicContact CD2-CG2 4.23Å; L44-L226 HydrophobicContact CD2-CD1 4.18Å
45	C	95	Very high	93.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.007	22%	0.221	C	C	.	.	H	α-helix	trans	-58.9	-37	-179.9	-77.5	0	0	0	0	112.2	A41 I42 A47 S49 G50 I52 V79 V118	A41-C45 VanDerWaalsContact O-CB 3.31Å; A41-C45 WeakPolarHBondContact O-CB 3.41Å; A41-C45 PolarHBondContact O-N 3.37Å; A41-C45 PolarHBondContact O-SG 3.33Å; I42-C45 PolarHBondContact O-N 3.02Å; C45-A47 VanDerWaalsContact C-N 3.34Å; C45-S49 CarbonylContact O-C 3.57Å; C45-S49 WeakPolarHBondContact O-CA 3.49Å; C45-S49 PolarHBondContact O-N 2.85Å; C45-G50 PolarHBondContact O-N 2.81Å; C45-I52 VanDerWaalsContact SG-CG1 3.58Å; C45-V79 HydrophobicContact CB-CB 4.47Å; C45-V79 HydrophobicContact CB-CG1 3.52Å; C45-V79 HydrophobicContact CB-CG2 4.02Å; C45-V118 WeakPolarHBondContact SG-CG2 3.14Å
46	R	92.8	Very high	93.4	Very high	153 Å²	153	41.9 Å²	41.9	58%	0.577	23%	0.227	S	C	*	.	H	α-helix	trans	-64.8	-37.7	174.4	-71.9	-177	65.6	179.4	0.7	112.6	I42 E43 L44 L77 V79	I42-R46 WeakPolarHBondContact O-CG 3.4Å; I42-R46 PolarHBondContact O-N 3.35Å; E43-R46 PolarHBondContact O-N 2.68Å; L44-R46 PolarHBondContact O-N 3.12Å; R46-L77 VanDerWaalsContact NH1-CD1 3.28Å; R46-V79 HydrophobicContact CG-CG2 3.54Å
47	A	90.9	Very high	93.5	Very high	84 Å²	84	41.2 Å²	41.2	69%	0.694	22%	0.217	S	C	*	.	H	α-helix	trans	-73.9	-31.4	-179.6	0	0	0	0	0	113.2	E43 L44 C45	E43-A47 PolarHBondContact O-N 3.22Å; L44-A47 PolarHBondContact O-N 2.88Å; C45-A47 VanDerWaalsContact C-N 3.34Å
48	I	90	Very high	93.4	Very high	52 Å²	52	41.8 Å²	41.8	27%	0.267	22%	0.22	S	C	.	.	H	α-helix	trans	-112.5	9.8	-172.7	75.4	-179.4	0	0	0	114.2	I27 L44 G50 I116 V118	I27-I48 HydrophobicContact CD1-CD1 3.54Å; L44-I48 HydrophobicContact CD1-CD1 4.15Å; L44-I48 HydrophobicContact CD1-CG2 4.03Å; L44-I48 HydrophobicContact CD2-CD1 4.48Å; L44-I48 HydrophobicContact CG-CD1 3.95Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 3.17Å; I48-G50 PolarHBondContact O-N 3.02Å; I48-I116 HydrophobicContact CB-CD1 4.24Å; I48-I116 HydrophobicContact CD1-CB 3.99Å; I48-I116 HydrophobicContact CD1-CD1 4.1Å; I48-I116 HydrophobicContact CD1-CG2 3.87Å; I48-I116 HydrophobicContact CG1-CB 4.37Å; I48-I116 HydrophobicContact CG1-CD1 4.3Å; I48-V118 HydrophobicContact CD1-CG2 4.07Å
49	S	90.5	Very high	93.5	Very high	90 Å²	90	40.6 Å²	40.6	63%	0.629	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	40.4	-171.6	-60.9	0	0	0	0	112.8	C45 K115	C45-S49 CarbonylContact O-C 3.57Å; C45-S49 WeakPolarHBondContact O-CA 3.49Å; C45-S49 PolarHBondContact O-N 2.85Å; S49-K115 WeakPolarHBondContact O-CB 3.38Å; S49-K115 WeakPolarHBondContact O-CG 3.44Å
50	G	93.9	Very high	93.6	Very high	8 Å²	8	32.6 Å²	32.6	8%	0.082	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	170.9	-178.3	0	0	0	0	0	114.1	C45 I48 I116	C45-G50 PolarHBondContact O-N 2.81Å; I48-G50 PolarHBondContact O-N 3.02Å; G50-I116 CarbonylContact C-O 3.58Å; G50-I116 WeakPolarHBondContact CA-O 3.29Å
51	E	97.7	Very high	93.6	Very high	3 Å²	3	31 Å²	31	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.5	172.2	-59.1	-166.8	174.5	0	0	110.4	A80 H82 I110 R113 K115 I116 V118	E51-A80 HydrophobicContact CB-CB 4.34Å; E51-A80 HydrophobicContact CG-CB 4.04Å; E51-H82 IonicContact OE2-CD2 3.58Å; E51-H82 IonicContact OE2-CE1 3.66Å; E51-H82 IonicContact OE2-NE2 2.75Å; E51-H82 PolarHBondContact OE2-NE2 2.87Å; E51-I110 HydrophobicContact CB-CD1 3.98Å; E51-I110 HydrophobicContact CB-CG1 4.14Å; E51-I110 HydrophobicContact CB-CG2 4.26Å; E51-R113 IonicContact OE1-CZ 2.55Å; E51-R113 IonicContact OE1-NH1 2.71Å; E51-R113 PolarHBondContact OE1-NH1 2.99Å; E51-R113 IonicContact OE1-NH2 3.33Å; E51-R113 IonicContact OE2-CZ 2.85Å; E51-R113 IonicContact OE2-NH1 3.18Å; E51-R113 PolarHBondContact OE2-NH1 3.02Å; E51-R113 IonicContact OE2-NH2 2.71Å; E51-R113 PolarHBondContact OE2-NH2 2.76Å; E51-K115 HydrophobicContact CG-CB 4.49Å; E51-K115 HydrophobicContact CG-CD 3.64Å; E51-K115 WeakPolarHBondContact OE1-CD 3.31Å; E51-K115 WeakPolarHBondContact OE1-CE 3.41Å; E51-K115 IonicContact OE1-NZ 3.43Å; E51-K115 PolarHBondContact OE1-NZ 2.94Å; E51-I116 PolarHBondContact N-O 2.98Å; E51-V118 PolarHBondContact O-N 2.77Å
52	I	97.8	Very high	93.4	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	133.5	-174.6	-62.4	176.1	0	0	0	110.2	A41 I42 C45 V79 A80 E81 H82 V118 V120	A41-I52 HydrophobicContact CB-CD1 3.96Å; A41-I52 HydrophobicContact CB-CG1 4.29Å; I42-I52 HydrophobicContact CG1-CD1 3.76Å; C45-I52 VanDerWaalsContact SG-CG1 3.58Å; I52-V79 HydrophobicContact CD1-CG1 3.8Å; I52-V79 HydrophobicContact CG1-CG1 3.77Å; I52-A80 PolarHBondContact N-O 3.27Å; I52-E81 HydrophobicContact CB-CB 4.2Å; I52-E81 HydrophobicContact CB-CG 4.09Å; I52-E81 HydrophobicContact CG2-CG 3.88Å; I52-E81 WeakPolarHBondContact O-CA 3.3Å; I52-H82 PolarHBondContact O-CD2 3.48Å; I52-H82 PolarHBondContact O-N 3.35Å; I52-V118 CarbonylContact C-O 3.58Å; I52-V118 WeakPolarHBondContact CA-O 3.43Å; I52-V120 HydrophobicContact CG2-CG1 3.37Å
53	V	97.5	Very high	93	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	108.4	167.3	-175.4	0	0	0	0	108.3	A55 L83 V106 I107 I110 P117 V118 M119 V120	V53-A55 PolarHBondContact O-N 3.37Å; V53-L83 HydrophobicContact CG1-CD1 3.92Å; V53-L83 HydrophobicContact CG1-CG 4.45Å; V53-V106 HydrophobicContact CG1-CG1 4.39Å; V53-V106 HydrophobicContact CG2-CG1 3.79Å; V53-I107 HydrophobicContact CG2-CG1 4.31Å; V53-I110 HydrophobicContact CG2-CD1 3.58Å; V53-P117 HydrophobicContact CG2-CB 4.38Å; V53-V118 PolarHBondContact N-O 3Å; V53-M119 HydrophobicContact CG1-CE 4.18Å; V53-M119 VanDerWaalsContact O-CA 3.29Å; V53-M119 WeakPolarHBondContact O-CA 3.33Å; V53-V120 PolarHBondContact O-N 2.66Å
54	S	96.7	Very high	92.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.1	-179.4	-174.3	0	0	0	0	111.2	Q59 H82 F99 V120	S54-Q59 PolarHBondContact OG-OE1 3.04Å; S54-Q59 VanDerWaalsContact OG-OE1 3.1Å; S54-H82 PolarHBondContact N-O 3.07Å; S54-F99 VanDerWaalsContact O-CE2 3.3Å; S54-F99 WeakPolarHBondContact O-CE2 2.96Å; S54-F99 WeakPolarHBondContact O-CZ 3.47Å; S54-V120 CarbonylContact C-O 3.53Å; S54-V120 WeakPolarHBondContact CA-O 3.29Å
55	A	95.1	Very high	93	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.203	C	C	.	.			trans	-119.2	48.8	175.3	0	0	0	0	0	110.5	V53 F99 M119 V120 G121 T123 I127	V53-A55 PolarHBondContact O-N 3.37Å; A55-F99 HydrophobicContact CB-CE1 4.34Å; A55-F99 HydrophobicContact CB-CZ 3.78Å; A55-M119 HydrophobicContact CB-CG 3.9Å; A55-M119 HydrophobicContact CB-SD 4.23Å; A55-V120 PolarHBondContact N-O 2.83Å; A55-G121 WeakPolarHBondContact O-CA 3.24Å; A55-T123 WeakPolarHBondContact O-CB 3.49Å; A55-T123 PolarHBondContact O-N 3.23Å; A55-I127 HydrophobicContact CB-CD1 4.13Å; A55-I127 HydrophobicContact CB-CG1 3.54Å
56	D	93.8	Very high	92.9	Very high	26 Å²	26	35.3 Å²	35.3	14%	0.139	21%	0.211	C	C	.	.			trans	-116.2	117.3	171.3	-167.3	-58.1	0	0	0	109.9	M58 Q59	D56-M58 PolarHBondContact O-N 3.5Å; D56-M58 VanDerWaalsContact O-N 3.11Å; D56-M58 PolarHBondContact OD1-N 2.99Å; D56-Q59 HydrophobicContact CB-CB 4Å; D56-Q59 HydrophobicContact CB-CG 3.8Å; D56-Q59 PolarHBondContact O-N 3.06Å; D56-Q59 PolarHBondContact OD1-N 3.35Å
57	S	90.6	Very high	92.9	Very high	23 Å²	23	28.5 Å²	28.5	16%	0.161	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.2	-174.3	48.4	0	0	0	0	113.7	T123	S57-T123 PolarHBondContact N-OG1 2.98Å; S57-T123 PolarHBondContact OG-OG1 2.85Å
58	M	91.3	Very high	93	Very high	29 Å²	29	24.9 Å²	24.9	14%	0.143	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-29.7	-179.2	-58.7	-66.5	95.4	0	0	111.9	D56 L60 Y61 T68 C278	D56-M58 PolarHBondContact O-N 3.5Å; D56-M58 VanDerWaalsContact O-N 3.11Å; D56-M58 PolarHBondContact OD1-N 2.99Å; M58-L60 PolarHBondContact O-N 2.86Å; M58-L60 VanDerWaalsContact O-N 3.16Å; M58-Y61 HydrophobicContact CE-CE2 4.04Å; M58-Y61 PolarHBondContact O-N 3.23Å; M58-T68 HydrophobicContact CB-CG2 3.78Å; M58-T68 WeakPolarHBondContact O-CG2 3.38Å; M58-C278 HydrophobicContact CG-CB 4.25Å; M58-C278 WeakPolarHBondContact SD-CA 3.39Å; M58-C278 HydrophobicContact SD-CB 3.65Å; M58-C278 PolarHBondContact SD-N 3.09Å
59	Q	93.8	Very high	93.1	Very high	15 Å²	15	24.9 Å²	24.9	7%	0.07	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-10	177	-65.6	-174.8	-22.5	0	0	113.7	S54 D56 Y61 T68 N69 Q70 V84 G85	S54-Q59 PolarHBondContact OG-OE1 3.04Å; S54-Q59 VanDerWaalsContact OG-OE1 3.1Å; D56-Q59 HydrophobicContact CB-CB 4Å; D56-Q59 HydrophobicContact CB-CG 3.8Å; D56-Q59 PolarHBondContact O-N 3.06Å; D56-Q59 PolarHBondContact OD1-N 3.35Å; Q59-Y61 PolarHBondContact O-N 3.13Å; Q59-T68 WeakPolarHBondContact CG-O 3.39Å; Q59-T68 PolarHBondContact NE2-O 3.38Å; Q59-N69 PolarHBondContact NE2-O 3.45Å; Q59-Q70 HydrophobicContact CB-CG 4.09Å; Q59-Q70 HydrophobicContact CG-CG 4.07Å; Q59-Q70 PolarHBondContact O-NE2 3.09Å; Q59-Q70 VanDerWaalsContact O-NE2 3.17Å; Q59-V84 CarbonylContact O-C 3.52Å; Q59-V84 WeakPolarHBondContact O-CA 3.38Å; Q59-G85 PolarHBondContact O-N 3.11Å
60	L	93.3	Very high	93.2	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.4	173.7	-53.4	173.4	0	0	0	112.4	M58 L83 G85 F86 L87 Y94 F99 Y126	M58-L60 PolarHBondContact O-N 2.86Å; M58-L60 VanDerWaalsContact O-N 3.16Å; L60-L83 HydrophobicContact CD2-CB 4.2Å; L60-L83 VanDerWaalsContact CD2-O 3.32Å; L60-L83 WeakPolarHBondContact CD2-O 3.41Å; L60-G85 CarbonylContact O-C 3.49Å; L60-G85 WeakPolarHBondContact O-CA 3.48Å; L60-G85 PolarHBondContact O-N 3.36Å; L60-F86 HydrophobicContact CB-CE1 4.14Å; L60-F86 HydrophobicContact CD2-CE1 3.55Å; L60-F86 HydrophobicContact CD2-CZ 4.08Å; L60-F86 HydrophobicContact CG-CE1 4.4Å; L60-F86 PolarHBondContact O-N 2.95Å; L60-L87 HydrophobicContact CB-CD1 3.62Å; L60-L87 HydrophobicContact CB-CG 4.15Å; L60-L87 HydrophobicContact CD1-CD1 3.97Å; L60-L87 HydrophobicContact CG-CD1 4.41Å; L60-L87 WeakPolarHBondContact O-CB 3.13Å; L60-L87 PolarHBondContact O-N 3.11Å; L60-Y94 HydrophobicContact CD1-CD1 3.62Å; L60-Y94 HydrophobicContact CD1-CE1 3.42Å; L60-Y94 VanDerWaalsContact CD1-CE1 3.42Å; L60-F99 HydrophobicContact CD2-CD2 4.23Å; L60-F99 HydrophobicContact CD2-CE2 4.29Å; L60-Y126 HydrophobicContact CD1-CE2 4.15Å
61	Y	91.6	Very high	93.1	Very high	12 Å²	12	22.2 Å²	22.2	5%	0.047	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-82.7	141.2	-171.1	-66.1	-76.3	0	0	0	113.2	M58 Q59 Q70 L87 S88 G274 A275	M58-Y61 HydrophobicContact CE-CE2 4.04Å; M58-Y61 PolarHBondContact O-N 3.23Å; Q59-Y61 PolarHBondContact O-N 3.13Å; Y61-Q70 PolarHBondContact O-NE2 3.24Å; Y61-L87 WeakPolarHBondContact CA-O 3.41Å; Y61-L87 HydrophobicContact CD1-CB 3.96Å; Y61-L87 HydrophobicContact CE1-CB 4.24Å; Y61-L87 HydrophobicContact CE1-CD1 4.42Å; Y61-S88 WeakPolarHBondContact CD1-O 3.25Å; Y61-G274 WeakPolarHBondContact OH-CA 3.42Å; Y61-A275 HydrophobicContact CD1-CB 3.89Å; Y61-A275 HydrophobicContact CD2-CB 4.06Å; Y61-A275 HydrophobicContact CE1-CB 4.17Å; Y61-A275 HydrophobicContact CE2-CB 4.33Å; Y61-A275 HydrophobicContact CG-CB 3.84Å
62	K	90.3	Very high	92.8	Very high	112 Å²	112	24.2 Å²	24.2	49%	0.487	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	156.2	170.1	-71.6	177.7	179.3	-176.8	0	111.2	L64 G85 F86 L87	K62-L64 PolarHBondContact O-N 2.89Å; K62-G85 WeakPolarHBondContact CE-O 3.47Å; K62-G85 WeakPolarHBondContact CG-O 3.34Å; K62-F86 WeakPolarHBondContact CE-O 3.15Å; K62-L87 WeakPolarHBondContact CB-O 3.18Å; K62-L87 WeakPolarHBondContact CG-O 3.16Å; K62-L87 PolarHBondContact N-O 2.55Å
63	G	87.1	Confident	92.5	Very high	56 Å²	56	28.1 Å²	28.1	58%	0.577	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	-4.7	171.2	0	0	0	0	0	116.6	E254	G63-E254 WeakPolarHBondContact O-CG 3.1Å
64	L	89.8	Confident	92.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.201	C	C	.	.			trans	-120.2	37.1	-176.1	-67.8	-179.1	0	0	0	112.6	K62 I66 V67 T68 F258 A275 V281	K62-L64 PolarHBondContact O-N 2.89Å; L64-I66 PolarHBondContact O-N 2.79Å; L64-V67 HydrophobicContact CB-CG1 3.74Å; L64-V67 HydrophobicContact CD2-CG1 3.83Å; L64-V67 HydrophobicContact CG-CG1 4.25Å; L64-T68 HydrophobicContact CB-CG2 3.96Å; L64-T68 VanDerWaalsContact O-CB 3.29Å; L64-T68 WeakPolarHBondContact O-CB 3.45Å; L64-T68 VanDerWaalsContact O-CG2 3.3Å; L64-T68 WeakPolarHBondContact O-CG2 3.29Å; L64-T68 PolarHBondContact O-N 3.04Å; L64-T68 PolarHBondContact O-OG1 3.03Å; L64-F258 HydrophobicContact CD1-CD2 4.37Å; L64-F258 HydrophobicContact CD1-CE1 4.15Å; L64-F258 HydrophobicContact CD1-CE2 3.81Å; L64-F258 HydrophobicContact CD1-CZ 3.71Å; L64-F258 HydrophobicContact CD2-CB 3.98Å; L64-F258 HydrophobicContact CD2-CD1 3.82Å; L64-F258 HydrophobicContact CD2-CD2 3.49Å; L64-F258 VanDerWaalsContact CD2-CD2 3.49Å; L64-F258 HydrophobicContact CD2-CE1 4.14Å; L64-F258 HydrophobicContact CD2-CE2 3.81Å; L64-F258 HydrophobicContact CD2-CG 3.48Å; L64-F258 VanDerWaalsContact CD2-CG 3.48Å; L64-F258 HydrophobicContact CD2-CZ 4.14Å; L64-F258 HydrophobicContact CG-CD2 3.8Å; L64-F258 HydrophobicContact CG-CE2 3.67Å; L64-F258 HydrophobicContact CG-CG 4.28Å; L64-F258 HydrophobicContact CG-CZ 4.07Å; L64-A275 HydrophobicContact CD1-CB 3.97Å; L64-V281 HydrophobicContact CD1-CG2 4.35Å; L64-V281 HydrophobicContact CD2-CG2 4.32Å
65	A	93.4	Very high	92	Very high	41 Å²	41	38.8 Å²	38.8	34%	0.339	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-40.2	-170.4	0	0	0	0	0	113.3	N69 Q70 E254	A65-N69 CarbonylContact O-C 3.52Å; A65-N69 WeakPolarHBondContact O-CA 3.37Å; A65-N69 PolarHBondContact O-N 3.08Å; A65-Q70 HydrophobicContact CB-CB 4.26Å; A65-Q70 PolarHBondContact O-N 3.18Å; A65-E254 PolarHBondContact N-OE2 3.19Å
66	I	93.8	Very high	91.8	Very high	34 Å²	34	41.7 Å²	41.7	17%	0.174	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-52.7	-178.3	-59.2	168.8	0	0	0	109.8	L64 T68 N69 M246 K249 L251 E254	L64-I66 PolarHBondContact O-N 2.79Å; I66-T68 VanDerWaalsContact C-N 3.32Å; I66-T68 PolarHBondContact O-N 3.36Å; I66-N69 PolarHBondContact O-N 3.33Å; I66-M246 HydrophobicContact CG2-CB 3.88Å; I66-M246 HydrophobicContact CG2-CG 4.11Å; I66-M246 WeakPolarHBondContact O-CE 3.33Å; I66-K249 HydrophobicContact CD1-CB 4.25Å; I66-K249 VanDerWaalsContact CD1-O 3.25Å; I66-K249 WeakPolarHBondContact CD1-O 3.46Å; I66-K249 HydrophobicContact CG1-CB 4.41Å; I66-K249 HydrophobicContact CG2-CB 4.14Å; I66-L251 HydrophobicContact CG2-CB 4.24Å; I66-L251 HydrophobicContact CG2-CD1 4.38Å; I66-E254 WeakPolarHBondContact CB-OE1 3.34Å; I66-E254 WeakPolarHBondContact CB-OE2 3.4Å; I66-E254 HydrophobicContact CD1-CB 4.25Å; I66-E254 WeakPolarHBondContact CG1-OE2 3.43Å; I66-E254 PolarHBondContact N-OE1 2.99Å; I66-E254 PolarHBondContact N-OE2 3.09Å
67	V	92.4	Very high	91.7	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.055	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-35.3	-176.8	73.5	0	0	0	0	111.9	L64 N69 L251 E254	L64-V67 HydrophobicContact CB-CG1 3.74Å; L64-V67 HydrophobicContact CD2-CG1 3.83Å; L64-V67 HydrophobicContact CG-CG1 4.25Å; V67-N69 VanDerWaalsContact C-N 3.32Å; V67-L251 HydrophobicContact CB-CD1 3.72Å; V67-L251 HydrophobicContact CG2-CD1 3.92Å; V67-E254 WeakPolarHBondContact CB-OE1 3.32Å; V67-E254 WeakPolarHBondContact CG1-OE1 3.46Å; V67-E254 PolarHBondContact N-OE1 2.84Å
68	T	91.6	Very high	91.9	Very high	9 Å²	9	48.1 Å²	48.1	6%	0.055	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.4	174.6	67.9	0	0	0	0	113.3	M58 Q59 L64 I66 Q70	M58-T68 HydrophobicContact CB-CG2 3.78Å; M58-T68 WeakPolarHBondContact O-CG2 3.38Å; Q59-T68 WeakPolarHBondContact CG-O 3.39Å; Q59-T68 PolarHBondContact NE2-O 3.38Å; L64-T68 HydrophobicContact CB-CG2 3.96Å; L64-T68 VanDerWaalsContact O-CB 3.29Å; L64-T68 WeakPolarHBondContact O-CB 3.45Å; L64-T68 VanDerWaalsContact O-CG2 3.3Å; L64-T68 WeakPolarHBondContact O-CG2 3.29Å; L64-T68 PolarHBondContact O-N 3.04Å; L64-T68 PolarHBondContact O-OG1 3.03Å; I66-T68 VanDerWaalsContact C-N 3.32Å; I66-T68 PolarHBondContact O-N 3.36Å; T68-Q70 VanDerWaalsContact C-N 3.32Å; T68-Q70 PolarHBondContact O-N 3.34Å; T68-Q70 WeakPolarHBondContact OG1-CG 3.44Å; T68-Q70 PolarHBondContact OG1-NE2 2.78Å
69	N	92.4	Very high	92	Very high	51 Å²	51	47.4 Å²	47.4	27%	0.273	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	48.1	178.9	-165.3	98.6	0	0	0	112.5	Q59 A65 I66 V67 R242 M246	Q59-N69 PolarHBondContact NE2-O 3.45Å; A65-N69 CarbonylContact O-C 3.52Å; A65-N69 WeakPolarHBondContact O-CA 3.37Å; A65-N69 PolarHBondContact O-N 3.08Å; I66-N69 PolarHBondContact O-N 3.33Å; V67-N69 VanDerWaalsContact C-N 3.32Å; N69-R242 VanDerWaalsContact CG-CZ 3.49Å; N69-R242 VanDerWaalsContact CG-NH2 3.35Å; N69-R242 PolarHBondContact OD1-NE 3.37Å; N69-M246 HydrophobicContact CB-CE 3.79Å
70	Q	92.9	Very high	92.2	Very high	29 Å²	29	48.6 Å²	48.6	14%	0.136	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-60.9	142.5	169.1	-66.4	175.7	17.9	0	0	108.8	Q59 Y61 A65 T68 V84	Q59-Q70 HydrophobicContact CB-CG 4.09Å; Q59-Q70 HydrophobicContact CG-CG 4.07Å; Q59-Q70 PolarHBondContact O-NE2 3.09Å; Q59-Q70 VanDerWaalsContact O-NE2 3.17Å; Y61-Q70 PolarHBondContact O-NE2 3.24Å; A65-Q70 HydrophobicContact CB-CB 4.26Å; A65-Q70 PolarHBondContact O-N 3.18Å; T68-Q70 VanDerWaalsContact C-N 3.32Å; T68-Q70 PolarHBondContact O-N 3.34Å; T68-Q70 WeakPolarHBondContact OG1-CG 3.44Å; T68-Q70 PolarHBondContact OG1-NE2 2.78Å; Q70-V84 HydrophobicContact CB-CG1 4.15Å; Q70-V84 HydrophobicContact CG-CG1 3.74Å
71	S	91.1	Very high	92.3	Very high	13 Å²	13	50 Å²	50	9%	0.091	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-69.5	136.6	176.8	76.2	0	0	0	0	109.3	R76 E81	S71-R76 PolarHBondContact O-NE 2.78Å; S71-R76 PolarHBondContact O-NH2 3.06Å; S71-R76 WeakPolarHBondContact OG-CD 3.33Å; S71-R76 WeakPolarHBondContact OG-CG 3.31Å; S71-R76 PolarHBondContact OG-NE 2.84Å; S71-E81 PolarHBondContact OG-OE2 3.47Å
72	T	91.5	Very high	92.6	Very high	45 Å²	45	51.5 Å²	51.5	28%	0.276	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-76.6	155.3	173.7	56.2	0	0	0	0	110.8	E74 E75 R76	T72-E74 WeakPolarHBondContact CB-OE2 3.22Å; T72-E74 PolarHBondContact O-N 2.99Å; T72-E75 PolarHBondContact N-OE2 2.77Å; T72-E75 PolarHBondContact O-N 3.42Å; T72-E75 VanDerWaalsContact O-N 3.07Å; T72-E75 WeakPolarHBondContact OG1-CB 3.36Å; T72-E75 WeakPolarHBondContact OG1-CG 3.48Å; T72-E75 PolarHBondContact OG1-N 2.88Å; T72-E75 PolarHBondContact OG1-OE2 2.79Å; T72-R76 WeakPolarHBondContact O-CG 3.33Å; T72-R76 PolarHBondContact O-N 2.83Å
73	P	91.6	Very high	92.8	Very high	85 Å²	85	47 Å²	47	55%	0.552	29%	0.287	S	S	*	.	H	α-helix	trans	-52.1	-36.9	174.3	-27	36.1	0	0	0	113.1	R76 L77	P73-R76 PolarHBondContact O-N 3.33Å; P73-L77 PolarHBondContact O-N 3.27Å
74	E	92.6	Very high	93.2	Very high	139 Å²	139	45.7 Å²	45.7	65%	0.65	27%	0.268	S	S	*	.	H	α-helix	trans	-66.3	-45	177.2	-60.8	69.8	-147.4	0	0	111.2	T72 R76 L77	T72-E74 WeakPolarHBondContact CB-OE2 3.22Å; T72-E74 PolarHBondContact O-N 2.99Å; E74-R76 VanDerWaalsContact C-N 3.27Å; E74-R76 PolarHBondContact O-N 3.32Å; E74-L77 WeakPolarHBondContact O-CD2 3.39Å; E74-L77 PolarHBondContact O-N 2.88Å
75	E	90.9	Very high	93.3	Very high	85 Å²	85	46.8 Å²	46.8	40%	0.397	28%	0.279	S	S	.	.	H	α-helix	trans	-63.9	-32.1	176.4	-75	161.7	166.5	0	0	111.8	I42 T72 L77 K249	I42-E75 WeakPolarHBondContact CD1-O 3.24Å; T72-E75 PolarHBondContact N-OE2 2.77Å; T72-E75 PolarHBondContact O-N 3.42Å; T72-E75 VanDerWaalsContact O-N 3.07Å; T72-E75 WeakPolarHBondContact OG1-CB 3.36Å; T72-E75 WeakPolarHBondContact OG1-CG 3.48Å; T72-E75 PolarHBondContact OG1-N 2.88Å; T72-E75 PolarHBondContact OG1-OE2 2.79Å; E75-L77 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 3.23Å; E75-K249 IonicContact OE1-NZ 3.82Å; E75-K249 PolarHBondContact OE1-NZ 2.91Å; E75-K249 VanDerWaalsContact OE1-NZ 3.13Å
76	R	92.1	Very high	93.3	Very high	62 Å²	62	48.3 Å²	48.3	23%	0.234	28%	0.278	C	S	.	.	H	α-helix	trans	-72.3	-18.9	-179.5	-69.2	179.5	-146.2	155.8	5.7	114.2	S71 T72 P73 E74 G78 V79 E81	S71-R76 PolarHBondContact O-NE 2.78Å; S71-R76 PolarHBondContact O-NH2 3.06Å; S71-R76 WeakPolarHBondContact OG-CD 3.33Å; S71-R76 WeakPolarHBondContact OG-CG 3.31Å; S71-R76 PolarHBondContact OG-NE 2.84Å; T72-R76 WeakPolarHBondContact O-CG 3.33Å; T72-R76 PolarHBondContact O-N 2.83Å; P73-R76 PolarHBondContact O-N 3.33Å; E74-R76 VanDerWaalsContact C-N 3.27Å; E74-R76 PolarHBondContact O-N 3.32Å; R76-G78 PolarHBondContact O-N 2.84Å; R76-G78 VanDerWaalsContact O-N 3.12Å; R76-V79 VanDerWaalsContact O-CB 3.3Å; R76-V79 WeakPolarHBondContact O-CB 3.29Å; R76-V79 WeakPolarHBondContact O-CG2 3.3Å; R76-V79 PolarHBondContact O-N 3.5Å; R76-E81 IonicContact CZ-OE2 3.12Å; R76-E81 IonicContact NE-OE2 3.26Å; R76-E81 PolarHBondContact NE-OE2 3.12Å
77	L	92.5	Very high	93.2	Very high	103 Å²	103	47.7 Å²	47.7	54%	0.539	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	40.6	177	-57	170.5	0	0	0	112.9	I42 R46 P73 E74 E75 V79	I42-L77 HydrophobicContact CG2-CD1 4.39Å; R46-L77 VanDerWaalsContact NH1-CD1 3.28Å; P73-L77 PolarHBondContact O-N 3.27Å; E74-L77 WeakPolarHBondContact O-CD2 3.39Å; E74-L77 PolarHBondContact O-N 2.88Å; E75-L77 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 3.23Å; L77-V79 PolarHBondContact O-N 2.92Å
78	G	92.8	Very high	93	Very high	80 Å²	80	50 Å²	50	83%	0.825	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-0.9	-179.7	0	0	0	0	0	116	R76	R76-G78 PolarHBondContact O-N 2.84Å; R76-G78 VanDerWaalsContact O-N 3.12Å
79	V	95.2	Very high	92.5	Very high	14 Å²	14	50.2 Å²	50.2	9%	0.085	29%	0.293	C	S	.	.			trans	-73.8	126.7	175.4	178.4	0	0	0	0	110.2	I42 C45 R46 I52 R76 L77	I42-V79 HydrophobicContact CG2-CG2 4.21Å; C45-V79 HydrophobicContact CB-CB 4.47Å; C45-V79 HydrophobicContact CB-CG1 3.52Å; C45-V79 HydrophobicContact CB-CG2 4.02Å; R46-V79 HydrophobicContact CG-CG2 3.54Å; I52-V79 HydrophobicContact CD1-CG1 3.8Å; I52-V79 HydrophobicContact CG1-CG1 3.77Å; R76-V79 VanDerWaalsContact O-CB 3.3Å; R76-V79 WeakPolarHBondContact O-CB 3.29Å; R76-V79 WeakPolarHBondContact O-CG2 3.3Å; R76-V79 PolarHBondContact O-N 3.5Å; L77-V79 PolarHBondContact O-N 2.92Å
80	A	96.3	Very high	91.9	Very high	40 Å²	40	51.4 Å²	51.4	33%	0.331	30%	0.299	S	S	.	.			trans	-67.7	135.2	173.3	0	0	0	0	0	110.7	E51 I52	E51-A80 HydrophobicContact CB-CB 4.34Å; E51-A80 HydrophobicContact CG-CB 4.04Å; I52-A80 PolarHBondContact N-O 3.27Å
81	E	96.7	Very high	91.3	Very high	30 Å²	30	51.5 Å²	51.5	14%	0.14	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	126.4	177.2	-176.8	172.1	-143.6	0	0	109.6	I52 S71 R76 V84	I52-E81 HydrophobicContact CB-CB 4.2Å; I52-E81 HydrophobicContact CB-CG 4.09Å; I52-E81 HydrophobicContact CG2-CG 3.88Å; I52-E81 WeakPolarHBondContact O-CA 3.3Å; S71-E81 PolarHBondContact OG-OE2 3.47Å; R76-E81 IonicContact CZ-OE2 3.12Å; R76-E81 IonicContact NE-OE2 3.26Å; R76-E81 PolarHBondContact NE-OE2 3.12Å; E81-V84 HydrophobicContact CG-CG2 3.73Å
82	H	96.8	Very high	90.4	Very high	44 Å²	44	55.5 Å²	55.5	20%	0.204	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	159.4	-176.2	-60.5	-90.9	0	0	0	111.4	E51 I52 S54 V106	E51-H82 IonicContact OE2-CD2 3.58Å; E51-H82 IonicContact OE2-CE1 3.66Å; E51-H82 IonicContact OE2-NE2 2.75Å; E51-H82 PolarHBondContact OE2-NE2 2.87Å; I52-H82 PolarHBondContact O-CD2 3.48Å; I52-H82 PolarHBondContact O-N 3.35Å; S54-H82 PolarHBondContact N-O 3.07Å; H82-V106 HydrophobicContact CB-CG1 3.53Å; H82-V106 HydrophobicContact CB-CG2 4.4Å
83	L	95.7	Very high	89.6	Confident	18 Å²	18	54.8 Å²	54.8	9%	0.094	32%	0.323	C	S	.	.	S	Bend	trans	57.1	45.6	-178.9	-53.9	-177.2	0	0	0	113.1	V53 L60 F86 F99 D102 V106	V53-L83 HydrophobicContact CG1-CD1 3.92Å; V53-L83 HydrophobicContact CG1-CG 4.45Å; L60-L83 HydrophobicContact CD2-CB 4.2Å; L60-L83 VanDerWaalsContact CD2-O 3.32Å; L60-L83 WeakPolarHBondContact CD2-O 3.41Å; L83-F86 HydrophobicContact CB-CE1 4Å; L83-F86 HydrophobicContact CD2-CE1 3.98Å; L83-F86 HydrophobicContact CD2-CZ 4.12Å; L83-F99 HydrophobicContact CB-CE2 4.5Å; L83-F99 HydrophobicContact CD1-CD2 4.11Å; L83-F99 HydrophobicContact CD1-CE2 3.55Å; L83-F99 HydrophobicContact CD1-CZ 4.01Å; L83-D102 HydrophobicContact CD2-CB 3.93Å; L83-V106 HydrophobicContact CD2-CG2 4.09Å; L83-V106 HydrophobicContact CG-CG2 4.33Å
84	V	94.8	Very high	89.3	Confident	28 Å²	28	52.6 Å²	52.6	17%	0.17	30%	0.304	C	S	.	.	S	Bend	trans	-131.1	137.7	174.3	177.7	0	0	0	0	108.9	Q59 Q70 E81 F86	Q59-V84 CarbonylContact O-C 3.52Å; Q59-V84 WeakPolarHBondContact O-CA 3.38Å; Q70-V84 HydrophobicContact CB-CG1 4.15Å; Q70-V84 HydrophobicContact CG-CG1 3.74Å; E81-V84 HydrophobicContact CG-CG2 3.73Å; V84-F86 VanDerWaalsContact C-N 3.27Å; V84-F86 PolarHBondContact O-N 3.5Å; V84-F86 VanDerWaalsContact O-N 3.14Å
85	G	93	Very high	88.9	Confident	23 Å²	23	47.9 Å²	47.9	24%	0.237	28%	0.283	C	S	.	.	S	Bend	trans	56.6	32.8	170.5	0	0	0	0	0	115.2	Q59 L60 K62	Q59-G85 PolarHBondContact O-N 3.11Å; L60-G85 CarbonylContact O-C 3.49Å; L60-G85 WeakPolarHBondContact O-CA 3.48Å; L60-G85 PolarHBondContact O-N 3.36Å; K62-G85 WeakPolarHBondContact CE-O 3.47Å; K62-G85 WeakPolarHBondContact CG-O 3.34Å
86	F	92.5	Very high	88.7	Confident	74 Å²	74	44.4 Å²	44.4	33%	0.325	27%	0.267	S	S	.	.			trans	-107.6	-23.8	-178.1	72.5	-85.4	0	0	0	113.5	L60 K62 L83 V84 Y94	L60-F86 HydrophobicContact CB-CE1 4.14Å; L60-F86 HydrophobicContact CD2-CE1 3.55Å; L60-F86 HydrophobicContact CD2-CZ 4.08Å; L60-F86 HydrophobicContact CG-CE1 4.4Å; L60-F86 PolarHBondContact O-N 2.95Å; K62-F86 WeakPolarHBondContact CE-O 3.15Å; L83-F86 HydrophobicContact CB-CE1 4Å; L83-F86 HydrophobicContact CD2-CE1 3.98Å; L83-F86 HydrophobicContact CD2-CZ 4.12Å; V84-F86 VanDerWaalsContact C-N 3.27Å; V84-F86 PolarHBondContact O-N 3.5Å; V84-F86 VanDerWaalsContact O-N 3.14Å; F86-Y94 HydrophobicContact CE2-CE2 4.07Å; F86-Y94 HydrophobicContact CZ-CE2 4.04Å; F86-Y94 AromaticContact CZ-CZ 3.82Å
87	L	91.5	Very high	88.4	Confident	20 Å²	20	42.8 Å²	42.8	11%	0.105	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-83.7	137.9	179.4	-66.8	178.9	0	0	0	111.8	L60 Y61 K62 Y94	L60-L87 HydrophobicContact CB-CD1 3.62Å; L60-L87 HydrophobicContact CB-CG 4.15Å; L60-L87 HydrophobicContact CD1-CD1 3.97Å; L60-L87 HydrophobicContact CG-CD1 4.41Å; L60-L87 WeakPolarHBondContact O-CB 3.13Å; L60-L87 PolarHBondContact O-N 3.11Å; Y61-L87 WeakPolarHBondContact CA-O 3.41Å; Y61-L87 HydrophobicContact CD1-CB 3.96Å; Y61-L87 HydrophobicContact CE1-CB 4.24Å; Y61-L87 HydrophobicContact CE1-CD1 4.42Å; K62-L87 WeakPolarHBondContact CB-O 3.18Å; K62-L87 WeakPolarHBondContact CG-O 3.16Å; K62-L87 PolarHBondContact N-O 2.55Å; L87-Y94 HydrophobicContact CD1-CD1 3.66Å; L87-Y94 HydrophobicContact CD1-CD2 3.62Å; L87-Y94 HydrophobicContact CD1-CE1 4.15Å; L87-Y94 HydrophobicContact CD1-CE2 4.11Å; L87-Y94 HydrophobicContact CD1-CG 3.35Å; L87-Y94 HydrophobicContact CD2-CD2 3.64Å; L87-Y94 HydrophobicContact CD2-CE2 4.01Å; L87-Y94 HydrophobicContact CD2-CG 4.22Å; L87-Y94 HydrophobicContact CG-CD2 4.24Å; L87-Y94 HydrophobicContact CG-CG 4.42Å
88	S	87.9	Confident	88.2	Confident	57 Å²	57	39.7 Å²	39.7	40%	0.399	25%	0.249	S	C	.	.			trans	-62.1	141.6	166.2	168.7	0	0	0	0	110	Y61 L90 A91	Y61-S88 WeakPolarHBondContact CD1-O 3.25Å; S88-L90 PolarHBondContact O-N 3.42Å; S88-L90 PolarHBondContact OG-N 3.46Å; S88-A91 WeakPolarHBondContact O-CB 3.34Å; S88-A91 PolarHBondContact O-N 2.95Å
89	P	82.4	Confident	88.2	Confident	15 Å²	15	35.9 Å²	35.9	10%	0.097	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-33	170.9	-29.1	38.2	0	0	0	114.2	A91 F258 E262 A275	P89-A91 VanDerWaalsContact C-N 3.27Å; P89-A91 PolarHBondContact O-N 3.41Å; P89-F258 HydrophobicContact CB-CE2 3.52Å; P89-F258 HydrophobicContact CB-CZ 3.81Å; P89-F258 HydrophobicContact CG-CE2 3.61Å; P89-F258 HydrophobicContact CG-CZ 4.39Å; P89-E262 HydrophobicContact CB-CG 4.43Å; P89-E262 HydrophobicContact CG-CG 4.37Å; P89-A275 HydrophobicContact CB-CB 4.44Å
90	L	79.2	Confident	88	Confident	76 Å²	76	35.8 Å²	35.8	40%	0.398	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	2.9	179.9	-53.1	178.6	0	0	0	113.1	S88 F92 E262 L266	S88-L90 PolarHBondContact O-N 3.42Å; S88-L90 PolarHBondContact OG-N 3.46Å; L90-F92 HydrophobicContact CB-CE2 4.43Å; L90-F92 HydrophobicContact CD2-CZ 4.49Å; L90-F92 WeakPolarHBondContact O-CD2 3.29Å; L90-F92 WeakPolarHBondContact O-CE2 3.29Å; L90-F92 PolarHBondContact O-N 3.34Å; L90-E262 WeakPolarHBondContact CG-OE2 3.46Å; L90-L266 HydrophobicContact CD2-CD1 3.63Å; L90-L266 HydrophobicContact CD2-CG 4.36Å
91	A	80.2	Confident	87.8	Confident	30 Å²	30	37.1 Å²	37.1	25%	0.248	21%	0.21	C	C	.	.			trans	-72.9	90.4	177.3	0	0	0	0	0	110.9	S88 P89	S88-A91 WeakPolarHBondContact O-CB 3.34Å; S88-A91 PolarHBondContact O-N 2.95Å; P89-A91 VanDerWaalsContact C-N 3.27Å; P89-A91 PolarHBondContact O-N 3.41Å
92	F	72.7	Confident	87.6	Confident	97 Å²	97	37.1 Å²	37.1	43%	0.425	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	103.6	173.2	-50.5	-62.4	0	0	0	109.9	L90 L266 K273	L90-F92 HydrophobicContact CB-CE2 4.43Å; L90-F92 HydrophobicContact CD2-CZ 4.49Å; L90-F92 WeakPolarHBondContact O-CD2 3.29Å; L90-F92 WeakPolarHBondContact O-CE2 3.29Å; L90-F92 PolarHBondContact O-N 3.34Å; F92-L266 HydrophobicContact CE2-CD2 3.81Å; F92-L266 HydrophobicContact CZ-CD1 3.94Å; F92-L266 HydrophobicContact CZ-CD2 3.58Å; F92-L266 HydrophobicContact CZ-CG 4.44Å; F92-K273 HydrophobicContact CD1-CB 3.59Å; F92-K273 HydrophobicContact CE1-CB 3.85Å
93	G	74.9	Confident	87.5	Confident	31 Å²	31	35 Å²	35	32%	0.32	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	147.7	-16.8	176.5	0	0	0	0	0	115	N95 K143	G93-N95 PolarHBondContact O-N 2.8Å; G93-N95 VanDerWaalsContact O-N 3.14Å; G93-N95 PolarHBondContact O-ND2 2.71Å; G93-N95 VanDerWaalsContact O-ND2 3.11Å; G93-K143 WeakPolarHBondContact CA-O 2.99Å
94	Y	84.5	Confident	87.4	Confident	39 Å²	39	36.4 Å²	36.4	15%	0.153	21%	0.208	C	C	.	.			trans	-62.2	118.6	176.1	-159.2	-91	0	0	0	110.6	L60 F86 L87 F99 D102	L60-Y94 HydrophobicContact CD1-CD1 3.62Å; L60-Y94 HydrophobicContact CD1-CE1 3.42Å; L60-Y94 VanDerWaalsContact CD1-CE1 3.42Å; F86-Y94 HydrophobicContact CE2-CE2 4.07Å; F86-Y94 HydrophobicContact CZ-CE2 4.04Å; F86-Y94 AromaticContact CZ-CZ 3.82Å; L87-Y94 HydrophobicContact CD1-CD1 3.66Å; L87-Y94 HydrophobicContact CD1-CD2 3.62Å; L87-Y94 HydrophobicContact CD1-CE1 4.15Å; L87-Y94 HydrophobicContact CD1-CE2 4.11Å; L87-Y94 HydrophobicContact CD1-CG 3.35Å; L87-Y94 HydrophobicContact CD2-CD2 3.64Å; L87-Y94 HydrophobicContact CD2-CE2 4.01Å; L87-Y94 HydrophobicContact CD2-CG 4.22Å; L87-Y94 HydrophobicContact CG-CD2 4.24Å; L87-Y94 HydrophobicContact CG-CG 4.42Å; Y94-F99 HydrophobicContact CE1-CB 3.8Å; Y94-F99 HydrophobicContact CE1-CD2 4.3Å; Y94-F99 VanDerWaalsContact OH-CA 3.28Å; Y94-F99 WeakPolarHBondContact OH-CA 3.32Å; Y94-D102 WeakPolarHBondContact CE2-OD2 3.41Å; Y94-D102 PolarHBondContact OH-OD2 2.71Å
95	N	84.6	Confident	87.5	Confident	40 Å²	40	42 Å²	42	21%	0.214	23%	0.226	C	C	.	.			trans	-132.2	-176.4	-172.5	66.6	60.2	0	0	0	110.7	G93 H97 S98 F99	G93-N95 PolarHBondContact O-N 2.8Å; G93-N95 VanDerWaalsContact O-N 3.14Å; G93-N95 PolarHBondContact O-ND2 2.71Å; G93-N95 VanDerWaalsContact O-ND2 3.11Å; N95-H97 PolarHBondContact O-N 2.75Å; N95-H97 WeakPolarHBondContact OD1-CA 3.35Å; N95-H97 VanDerWaalsContact OD1-CB 3.24Å; N95-H97 WeakPolarHBondContact OD1-CB 3.5Å; N95-H97 PolarHBondContact OD1-CD2 3.1Å; N95-H97 PolarHBondContact OD1-N 2.84Å; N95-S98 PolarHBondContact O-N 2.98Å; N95-S98 PolarHBondContact OD1-N 3.37Å; N95-F99 PolarHBondContact O-N 3.47Å
96	V	86.2	Confident	87.6	Confident	11 Å²	11	42 Å²	42	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-29.6	-177.2	66.4	0	0	0	0	113.3	R100 Y125 Y126 A129 F136	V96-R100 VanDerWaalsContact O-CB 3.28Å; V96-R100 WeakPolarHBondContact O-CB 3.39Å; V96-R100 PolarHBondContact O-N 3.19Å; V96-Y125 HydrophobicContact CB-CD1 4.19Å; V96-Y125 HydrophobicContact CB-CE1 3.61Å; V96-Y125 HydrophobicContact CG1-CE1 3.74Å; V96-Y125 HydrophobicContact CG2-CD1 4.03Å; V96-Y125 HydrophobicContact CG2-CE1 3.73Å; V96-Y126 HydrophobicContact CB-CD1 4.09Å; V96-Y126 HydrophobicContact CB-CE1 3.92Å; V96-Y126 HydrophobicContact CG2-CD1 3.82Å; V96-Y126 HydrophobicContact CG2-CE1 4.18Å; V96-A129 HydrophobicContact CG2-CB 3.45Å; V96-A129 VanDerWaalsContact CG2-CB 3.45Å; V96-F136 HydrophobicContact CG2-CE2 4.49Å
97	H	85.2	Confident	87.8	Confident	29 Å²	29	38.6 Å²	38.6	13%	0.134	21%	0.207	C	C	.	.	H	α-helix	trans	-72	-47	176.1	-57.5	-106.3	0	0	0	110.5	N95 F99 R100 D101 F136 D138	N95-H97 PolarHBondContact O-N 2.75Å; N95-H97 WeakPolarHBondContact OD1-CA 3.35Å; N95-H97 VanDerWaalsContact OD1-CB 3.24Å; N95-H97 WeakPolarHBondContact OD1-CB 3.5Å; N95-H97 PolarHBondContact OD1-CD2 3.1Å; N95-H97 PolarHBondContact OD1-N 2.84Å; H97-F99 VanDerWaalsContact C-N 3.27Å; H97-F99 PolarHBondContact O-N 3.38Å; H97-R100 WeakPolarHBondContact O-CB 3.24Å; H97-R100 PolarHBondContact O-N 3.48Å; H97-R100 VanDerWaalsContact O-N 3.08Å; H97-D101 PolarHBondContact O-N 3.36Å; H97-F136 WeakPolarHBondContact CE1-CB 2.91Å; H97-F136 PolarHBondContact CE1-O 2.93Å; H97-F136 VanDerWaalsContact CE1-O 3.26Å; H97-D138 IonicContact ND1-OD1 3.95Å; H97-D138 PolarHBondContact ND1-OD1 3.39Å
98	S	89.1	Confident	88	Confident	37 Å²	37	42.6 Å²	42.6	26%	0.259	23%	0.225	S	C	.	.	H	α-helix	trans	-55.3	-46	173.9	-46.7	0	0	0	0	111	N95 D101 D102	N95-S98 PolarHBondContact O-N 2.98Å; N95-S98 PolarHBondContact OD1-N 3.37Å; S98-D101 PolarHBondContact O-N 3.45Å; S98-D102 WeakPolarHBondContact O-CB 3.46Å; S98-D102 PolarHBondContact O-N 3.23Å
99	F	92.6	Very high	88.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-45	174.7	-177.6	-94	0	0	0	113.1	S54 A55 L60 L83 Y94 N95 H97 G103 Y126 M130	S54-F99 VanDerWaalsContact O-CE2 3.3Å; S54-F99 WeakPolarHBondContact O-CE2 2.96Å; S54-F99 WeakPolarHBondContact O-CZ 3.47Å; A55-F99 HydrophobicContact CB-CE1 4.34Å; A55-F99 HydrophobicContact CB-CZ 3.78Å; L60-F99 HydrophobicContact CD2-CD2 4.23Å; L60-F99 HydrophobicContact CD2-CE2 4.29Å; L83-F99 HydrophobicContact CB-CE2 4.5Å; L83-F99 HydrophobicContact CD1-CD2 4.11Å; L83-F99 HydrophobicContact CD1-CE2 3.55Å; L83-F99 HydrophobicContact CD1-CZ 4.01Å; Y94-F99 HydrophobicContact CE1-CB 3.8Å; Y94-F99 HydrophobicContact CE1-CD2 4.3Å; Y94-F99 VanDerWaalsContact OH-CA 3.28Å; Y94-F99 WeakPolarHBondContact OH-CA 3.32Å; N95-F99 PolarHBondContact O-N 3.47Å; H97-F99 VanDerWaalsContact C-N 3.27Å; H97-F99 PolarHBondContact O-N 3.38Å; F99-G103 WeakPolarHBondContact O-CA 3.4Å; F99-G103 PolarHBondContact O-N 3.06Å; F99-Y126 HydrophobicContact CB-CD2 4.03Å; F99-Y126 HydrophobicContact CB-CE2 3.97Å; F99-Y126 HydrophobicContact CB-CG 4.43Å; F99-Y126 AromaticContact CD1-CD2 3.67Å; F99-Y126 HydrophobicContact CD1-CD2 3.67Å; F99-Y126 HydrophobicContact CD1-CE2 4.46Å; F99-Y126 AromaticContact CD1-CG 3.74Å; F99-Y126 HydrophobicContact CD1-CG 3.74Å; F99-Y126 AromaticContact CD2-CD2 3.57Å; F99-Y126 HydrophobicContact CD2-CD2 3.57Å; F99-Y126 AromaticContact CD2-CE2 3.86Å; F99-Y126 HydrophobicContact CD2-CE2 3.86Å; F99-Y126 HydrophobicContact CD2-CG 4.46Å; F99-Y126 HydrophobicContact CE1-CD2 4.03Å; F99-Y126 HydrophobicContact CE1-CG 4.13Å; F99-Y126 AromaticContact CE2-CD2 3.92Å; F99-Y126 HydrophobicContact CE2-CD2 3.92Å; F99-Y126 AromaticContact CG-CD2 3.43Å; F99-Y126 HydrophobicContact CG-CD2 3.43Å; F99-Y126 VanDerWaalsContact CG-CD2 3.43Å; F99-Y126 AromaticContact CG-CE2 3.81Å; F99-Y126 HydrophobicContact CG-CE2 3.81Å; F99-Y126 AromaticContact CG-CG 3.92Å; F99-Y126 HydrophobicContact CG-CG 3.92Å; F99-Y126 HydrophobicContact CZ-CD2 4.14Å; F99-M130 HydrophobicContact CD1-CG 4.25Å; F99-M130 HydrophobicContact CE1-CG 3.72Å; F99-M130 HydrophobicContact CE1-SD 4.33Å
100	R	91.2	Very high	89.1	Confident	13 Å²	13	41.7 Å²	41.7	5%	0.049	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-49.4	177.6	177.4	-161.6	65.9	-164.6	-5.8	110.5	V96 H97 G103 L104 M130 D138	V96-R100 VanDerWaalsContact O-CB 3.28Å; V96-R100 WeakPolarHBondContact O-CB 3.39Å; V96-R100 PolarHBondContact O-N 3.19Å; H97-R100 WeakPolarHBondContact O-CB 3.24Å; H97-R100 PolarHBondContact O-N 3.48Å; H97-R100 VanDerWaalsContact O-N 3.08Å; R100-G103 PolarHBondContact O-N 3.27Å; R100-L104 HydrophobicContact CG-CD1 3.92Å; R100-L104 HydrophobicContact CG-CG 4.4Å; R100-L104 WeakPolarHBondContact O-CB 3.45Å; R100-L104 VanDerWaalsContact O-CG 3.24Å; R100-L104 WeakPolarHBondContact O-CG 3.44Å; R100-L104 PolarHBondContact O-N 3.41Å; R100-M130 HydrophobicContact CB-SD 4.4Å; R100-M130 HydrophobicContact CG-SD 4.37Å; R100-D138 IonicContact CZ-OD1 3.16Å; R100-D138 VanDerWaalsContact CZ-OD1 3.28Å; R100-D138 IonicContact NH1-OD1 2.73Å; R100-D138 PolarHBondContact NH1-OD1 2.85Å; R100-D138 IonicContact NH1-OD2 3.77Å; R100-D138 IonicContact NH2-OD1 3.72Å; R100-D138 PolarHBondContact NH2-OD1 3.4Å; R100-D138 IonicContact NH2-OD2 3.68Å
101	D	91.2	Very high	89.8	Confident	68 Å²	68	38.9 Å²	38.9	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-70.1	-40.9	-173.8	-58.4	-15.5	0	0	0	111.5	H97 S98 R105	H97-D101 PolarHBondContact O-N 3.36Å; S98-D101 PolarHBondContact O-N 3.45Å; D101-R105 PolarHBondContact O-N 3.05Å; D101-R105 PolarHBondContact O-NE 3.03Å
102	D	94.2	Very high	90.5	Very high	30 Å²	30	44.7 Å²	44.7	16%	0.16	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-46.9	171	-73.9	-32.8	0	0	0	111.4	L83 Y94 S98 L104 R105 V106	L83-D102 HydrophobicContact CD2-CB 3.93Å; Y94-D102 WeakPolarHBondContact CE2-OD2 3.41Å; Y94-D102 PolarHBondContact OH-OD2 2.71Å; S98-D102 WeakPolarHBondContact O-CB 3.46Å; S98-D102 PolarHBondContact O-N 3.23Å; D102-L104 PolarHBondContact O-N 3.25Å; D102-R105 PolarHBondContact O-N 3.41Å; D102-R105 IonicContact OD1-CZ 3.81Å; D102-R105 IonicContact OD1-NH1 2.87Å; D102-R105 PolarHBondContact OD1-NH1 3.41Å; D102-R105 VanDerWaalsContact OD1-NH1 3.12Å; D102-R105 IonicContact OD1-NH2 3.12Å; D102-R105 PolarHBondContact OD1-NH2 2.97Å; D102-V106 WeakPolarHBondContact O-CG2 3.47Å; D102-V106 PolarHBondContact O-N 2.9Å
103	G	94.9	Very high	91.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.6	-39.9	-178.5	0	0	0	0	0	113.2	F99 R100 V106 I107	F99-G103 WeakPolarHBondContact O-CA 3.4Å; F99-G103 PolarHBondContact O-N 3.06Å; R100-G103 PolarHBondContact O-N 3.27Å; G103-V106 PolarHBondContact O-N 2.86Å; G103-I107 WeakPolarHBondContact O-CB 3.13Å; G103-I107 VanDerWaalsContact O-CG1 3.29Å; G103-I107 WeakPolarHBondContact O-CG1 2.89Å; G103-I107 PolarHBondContact O-N 3.45Å
104	L	93.3	Very high	92.4	Very high	47 Å²	47	50.8 Å²	50.8	25%	0.246	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-40.9	176.9	-72.6	174.8	0	0	0	111.1	R100 D102 I107 E108 M130 F220	R100-L104 HydrophobicContact CG-CD1 3.92Å; R100-L104 HydrophobicContact CG-CG 4.4Å; R100-L104 WeakPolarHBondContact O-CB 3.45Å; R100-L104 VanDerWaalsContact O-CG 3.24Å; R100-L104 WeakPolarHBondContact O-CG 3.44Å; R100-L104 PolarHBondContact O-N 3.41Å; D102-L104 PolarHBondContact O-N 3.25Å; L104-I107 PolarHBondContact O-N 3.07Å; L104-E108 WeakPolarHBondContact O-CB 3.5Å; L104-E108 PolarHBondContact O-N 2.6Å; L104-M130 HydrophobicContact CD2-CE 3.84Å; L104-M130 HydrophobicContact CG-CE 4.01Å; L104-M130 HydrophobicContact CG-SD 4.28Å; L104-F220 HydrophobicContact CD2-CE2 4.02Å; L104-F220 HydrophobicContact CD2-CZ 3.84Å
105	R	95.6	Very high	92.9	Very high	144 Å²	144	52.7 Å²	52.7	54%	0.543	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-44.5	173.7	-80.5	-174.9	-86	121.9	-7.2	112.4	D101 D102 E108 D109	D101-R105 PolarHBondContact O-N 3.05Å; D101-R105 PolarHBondContact O-NE 3.03Å; D102-R105 PolarHBondContact O-N 3.41Å; D102-R105 IonicContact OD1-CZ 3.81Å; D102-R105 IonicContact OD1-NH1 2.87Å; D102-R105 PolarHBondContact OD1-NH1 3.41Å; D102-R105 VanDerWaalsContact OD1-NH1 3.12Å; D102-R105 IonicContact OD1-NH2 3.12Å; D102-R105 PolarHBondContact OD1-NH2 2.97Å; R105-E108 PolarHBondContact O-N 2.83Å; R105-D109 PolarHBondContact O-N 3.03Å
106	V	96.8	Very high	93.4	Very high	25 Å²	25	53 Å²	53	15%	0.152	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-46.8	177	167.7	0	0	0	0	111.1	V53 H82 L83 D102 G103 E108 D109 I110	V53-V106 HydrophobicContact CG1-CG1 4.39Å; V53-V106 HydrophobicContact CG2-CG1 3.79Å; H82-V106 HydrophobicContact CB-CG1 3.53Å; H82-V106 HydrophobicContact CB-CG2 4.4Å; L83-V106 HydrophobicContact CD2-CG2 4.09Å; L83-V106 HydrophobicContact CG-CG2 4.33Å; D102-V106 WeakPolarHBondContact O-CG2 3.47Å; D102-V106 PolarHBondContact O-N 2.9Å; G103-V106 PolarHBondContact O-N 2.86Å; V106-E108 VanDerWaalsContact C-N 3.31Å; V106-E108 PolarHBondContact O-N 3.29Å; V106-D109 PolarHBondContact O-N 3.49Å; V106-I110 HydrophobicContact CG1-CD1 3.75Å; V106-I110 HydrophobicContact CG1-CG1 4.4Å; V106-I110 VanDerWaalsContact O-CG1 3.3Å; V106-I110 WeakPolarHBondContact O-CG1 3.49Å; V106-I110 PolarHBondContact O-N 3.29Å
107	I	95.7	Very high	93.9	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-59.3	-45	177.7	-75.2	173.9	0	0	0	110.9	L26 V53 G103 L104 D109 I110 H111 P117 M119 M130 F220	L26-I107 HydrophobicContact CD1-CD1 3.91Å; L26-I107 HydrophobicContact CD1-CG1 4.47Å; L26-I107 HydrophobicContact CD2-CD1 4.27Å; V53-I107 HydrophobicContact CG2-CG1 4.31Å; G103-I107 WeakPolarHBondContact O-CB 3.13Å; G103-I107 VanDerWaalsContact O-CG1 3.29Å; G103-I107 WeakPolarHBondContact O-CG1 2.89Å; G103-I107 PolarHBondContact O-N 3.45Å; L104-I107 PolarHBondContact O-N 3.07Å; I107-D109 VanDerWaalsContact C-N 3.33Å; I107-D109 PolarHBondContact O-N 2.84Å; I107-I110 PolarHBondContact O-N 3.41Å; I107-H111 VanDerWaalsContact CG2-CE1 3.48Å; I107-H111 WeakPolarHBondContact CG2-CE1 2.96Å; I107-H111 WeakPolarHBondContact O-CB 3.29Å; I107-H111 PolarHBondContact O-N 3.34Å; I107-H111 PolarHBondContact O-ND1 2.8Å; I107-P117 HydrophobicContact CG1-CB 4.14Å; I107-P117 HydrophobicContact CG2-CG 4.11Å; I107-M119 HydrophobicContact CD1-CE 3.89Å; I107-M130 HydrophobicContact CD1-CE 3.29Å; I107-M130 HydrophobicContact CG1-CE 4.34Å; I107-F220 HydrophobicContact CD1-CE2 4.29Å; I107-F220 HydrophobicContact CD1-CZ 4.06Å; I107-F220 HydrophobicContact CG2-CE1 3.71Å; I107-F220 HydrophobicContact CG2-CZ 3.71Å
108	E	95.1	Very high	94.5	Very high	104 Å²	104	51.1 Å²	51.1	49%	0.486	24%	0.238	S	C	.	.	H	α-helix	trans	-63	-39.1	178.1	-177.7	174.3	-156.5	0	0	112.3	L104 R105 V106 R112	L104-E108 WeakPolarHBondContact O-CB 3.5Å; L104-E108 PolarHBondContact O-N 2.6Å; R105-E108 PolarHBondContact O-N 2.83Å; V106-E108 VanDerWaalsContact C-N 3.31Å; V106-E108 PolarHBondContact O-N 3.29Å; E108-R112 WeakPolarHBondContact O-CB 3.36Å; E108-R112 WeakPolarHBondContact O-CG 3.37Å; E108-R112 PolarHBondContact O-N 3.14Å; E108-R112 PolarHBondContact O-NE 2.9Å
109	D	96.6	Very high	94.9	Very high	53 Å²	53	49.3 Å²	49.3	28%	0.283	23%	0.225	S	C	.	.	H	α-helix	trans	-63.9	-47	173.6	-180	73.9	0	0	0	112.8	R105 V106 I107 H111 R112 R113	R105-D109 PolarHBondContact O-N 3.03Å; V106-D109 PolarHBondContact O-N 3.49Å; I107-D109 VanDerWaalsContact C-N 3.33Å; I107-D109 PolarHBondContact O-N 2.84Å; D109-H111 VanDerWaalsContact C-N 3.28Å; D109-H111 PolarHBondContact O-N 3.15Å; D109-R112 WeakPolarHBondContact O-CB 3.38Å; D109-R112 PolarHBondContact O-N 3.45Å; D109-R112 VanDerWaalsContact O-N 3.1Å; D109-R112 IonicContact OD1-NH2 2.75Å; D109-R113 PolarHBondContact O-N 3.47Å; D109-R113 IonicContact OD2-CZ 3.6Å; D109-R113 IonicContact OD2-NE 3.7Å; D109-R113 PolarHBondContact OD2-NE 3.42Å; D109-R113 IonicContact OD2-NH2 3.53Å; D109-R113 PolarHBondContact OD2-NH2 3.4Å
110	I	96.7	Very high	95.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.7	-44.8	176.4	-67.4	166.3	0	0	0	110.2	E51 V53 V106 I107 R113 N114 K115 P117	E51-I110 HydrophobicContact CB-CD1 3.98Å; E51-I110 HydrophobicContact CB-CG1 4.14Å; E51-I110 HydrophobicContact CB-CG2 4.26Å; V53-I110 HydrophobicContact CG2-CD1 3.58Å; V106-I110 HydrophobicContact CG1-CD1 3.75Å; V106-I110 HydrophobicContact CG1-CG1 4.4Å; V106-I110 VanDerWaalsContact O-CG1 3.3Å; V106-I110 WeakPolarHBondContact O-CG1 3.49Å; V106-I110 PolarHBondContact O-N 3.29Å; I107-I110 PolarHBondContact O-N 3.41Å; I110-R113 PolarHBondContact O-N 3.24Å; I110-N114 PolarHBondContact O-N 3.38Å; I110-K115 HydrophobicContact CG2-CB 3.75Å; I110-K115 PolarHBondContact O-N 2.96Å; I110-P117 HydrophobicContact CB-CB 4.39Å; I110-P117 HydrophobicContact CD1-CB 4.01Å; I110-P117 HydrophobicContact CG2-CB 4.02Å; I110-P117 HydrophobicContact CG2-CG 4.46Å
111	H	94.9	Very high	95.1	Very high	16 Å²	16	49.1 Å²	49.1	7%	0.074	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-40.3	175.7	-75.3	161.5	0	0	0	113	K24 P25 I107 D109 R113 N114 P117	K24-H111 WeakPolarHBondContact CB-CE1 3.35Å; K24-H111 HydrophobicContact CD-CB 3.73Å; K24-H111 VanDerWaalsContact CD-ND1 3.35Å; K24-H111 WeakPolarHBondContact CD-ND1 3.47Å; P25-H111 PolarHBondContact O-NE2 2.77Å; I107-H111 VanDerWaalsContact CG2-CE1 3.48Å; I107-H111 WeakPolarHBondContact CG2-CE1 2.96Å; I107-H111 WeakPolarHBondContact O-CB 3.29Å; I107-H111 PolarHBondContact O-N 3.34Å; I107-H111 PolarHBondContact O-ND1 2.8Å; D109-H111 VanDerWaalsContact C-N 3.28Å; D109-H111 PolarHBondContact O-N 3.15Å; H111-R113 PolarHBondContact O-N 2.91Å; H111-N114 WeakPolarHBondContact O-CA 3.47Å; H111-N114 PolarHBondContact O-N 2.98Å; H111-P117 WeakPolarHBondContact CD2-CD 3.42Å; H111-P117 WeakPolarHBondContact NE2-CD 3.12Å; H111-P117 WeakPolarHBondContact NE2-CG 3.42Å
112	R	95.2	Very high	95	Very high	152 Å²	152	46 Å²	46	57%	0.574	21%	0.211	S	C	*	.	H	α-helix	trans	-62.4	-30.1	176.2	-81.7	-178.7	-74.9	156.2	-4.5	112.1	E108 D109 N114	E108-R112 WeakPolarHBondContact O-CB 3.36Å; E108-R112 WeakPolarHBondContact O-CG 3.37Å; E108-R112 PolarHBondContact O-N 3.14Å; E108-R112 PolarHBondContact O-NE 2.9Å; D109-R112 WeakPolarHBondContact O-CB 3.38Å; D109-R112 PolarHBondContact O-N 3.45Å; D109-R112 VanDerWaalsContact O-N 3.1Å; D109-R112 IonicContact OD1-NH2 2.75Å; R112-N114 PolarHBondContact O-N 3.46Å
113	R	94.8	Very high	94.9	Very high	102 Å²	102	45.4 Å²	45.4	39%	0.385	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	11.5	173.1	-65.5	-174.2	-77.9	133.3	8.1	113.6	E51 D109 I110 H111 K115	E51-R113 IonicContact OE1-CZ 2.55Å; E51-R113 IonicContact OE1-NH1 2.71Å; E51-R113 PolarHBondContact OE1-NH1 2.99Å; E51-R113 IonicContact OE1-NH2 3.33Å; E51-R113 IonicContact OE2-CZ 2.85Å; E51-R113 IonicContact OE2-NH1 3.18Å; E51-R113 PolarHBondContact OE2-NH1 3.02Å; E51-R113 IonicContact OE2-NH2 2.71Å; E51-R113 PolarHBondContact OE2-NH2 2.76Å; D109-R113 PolarHBondContact O-N 3.47Å; D109-R113 IonicContact OD2-CZ 3.6Å; D109-R113 IonicContact OD2-NE 3.7Å; D109-R113 PolarHBondContact OD2-NE 3.42Å; D109-R113 IonicContact OD2-NH2 3.53Å; D109-R113 PolarHBondContact OD2-NH2 3.4Å; I110-R113 PolarHBondContact O-N 3.24Å; H111-R113 PolarHBondContact O-N 2.91Å; R113-K115 PolarHBondContact O-N 3.25Å
114	N	92.9	Very high	94.7	Very high	154 Å²	154	45.7 Å²	45.7	82%	0.824	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	32.1	-177.5	-64.8	-44.6	0	0	0	114	I110 H111 R112	I110-N114 PolarHBondContact O-N 3.38Å; H111-N114 WeakPolarHBondContact O-CA 3.47Å; H111-N114 PolarHBondContact O-N 2.98Å; R112-N114 PolarHBondContact O-N 3.46Å
115	K	95.2	Very high	94.6	Very high	79 Å²	79	47.9 Å²	47.9	34%	0.343	22%	0.215	S	C	.	.			trans	-108.2	163.2	175.9	-66.5	-171.3	-176	-176.6	0	111.2	S49 E51 I110 R113	S49-K115 WeakPolarHBondContact O-CB 3.38Å; S49-K115 WeakPolarHBondContact O-CG 3.44Å; E51-K115 HydrophobicContact CG-CB 4.49Å; E51-K115 HydrophobicContact CG-CD 3.64Å; E51-K115 WeakPolarHBondContact OE1-CD 3.31Å; E51-K115 WeakPolarHBondContact OE1-CE 3.41Å; E51-K115 IonicContact OE1-NZ 3.43Å; E51-K115 PolarHBondContact OE1-NZ 2.94Å; I110-K115 HydrophobicContact CG2-CB 3.75Å; I110-K115 PolarHBondContact O-N 2.96Å; R113-K115 PolarHBondContact O-N 3.25Å
116	I	94.3	Very high	94.4	Very high	47 Å²	47	42.2 Å²	42.2	24%	0.241	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.8	-179.8	-58.1	175.7	0	0	0	109.5	P25 I27 I48 G50 E51	P25-I116 HydrophobicContact CB-CG2 4.4Å; P25-I116 HydrophobicContact CG-CG1 4.2Å; P25-I116 HydrophobicContact CG-CG2 4.31Å; I27-I116 HydrophobicContact CD1-CG2 4.05Å; I27-I116 HydrophobicContact CG1-CG2 4.18Å; I48-I116 HydrophobicContact CB-CD1 4.24Å; I48-I116 HydrophobicContact CD1-CB 3.99Å; I48-I116 HydrophobicContact CD1-CD1 4.1Å; I48-I116 HydrophobicContact CD1-CG2 3.87Å; I48-I116 HydrophobicContact CG1-CB 4.37Å; I48-I116 HydrophobicContact CG1-CD1 4.3Å; G50-I116 CarbonylContact C-O 3.58Å; G50-I116 WeakPolarHBondContact CA-O 3.29Å; E51-I116 PolarHBondContact N-O 2.98Å
117	P	97.2	Very high	94.2	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.2	174.3	29.1	-33.3	0	0	0	110.5	P25 L26 I27 V53 I107 I110 H111	P25-P117 WeakPolarHBondContact O-CD 3.15Å; P25-P117 WeakPolarHBondContact O-CG 3.47Å; L26-P117 HydrophobicContact CD1-CB 4.03Å; L26-P117 HydrophobicContact CD1-CG 3.88Å; I27-P117 PolarHBondContact N-O 2.85Å; I27-P117 VanDerWaalsContact N-O 3.12Å; V53-P117 HydrophobicContact CG2-CB 4.38Å; I107-P117 HydrophobicContact CG1-CB 4.14Å; I107-P117 HydrophobicContact CG2-CG 4.11Å; I110-P117 HydrophobicContact CB-CB 4.39Å; I110-P117 HydrophobicContact CD1-CB 4.01Å; I110-P117 HydrophobicContact CG2-CB 4.02Å; I110-P117 HydrophobicContact CG2-CG 4.46Å; H111-P117 WeakPolarHBondContact CD2-CD 3.42Å; H111-P117 WeakPolarHBondContact NE2-CD 3.12Å; H111-P117 WeakPolarHBondContact NE2-CG 3.42Å
118	V	96.8	Very high	93.9	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	103	174	-177.3	0	0	0	0	108.5	I27 I29 A41 L44 C45 I48 E51 I52 V53	I27-V118 HydrophobicContact CB-CG2 4.29Å; I27-V118 CarbonylContact O-C 3.57Å; I27-V118 WeakPolarHBondContact O-CA 3.44Å; I29-V118 HydrophobicContact CD1-CG1 3.64Å; I29-V118 HydrophobicContact CG1-CG1 4.17Å; A41-V118 HydrophobicContact CB-CG1 4.35Å; L44-V118 HydrophobicContact CD2-CG1 4.16Å; L44-V118 HydrophobicContact CD2-CG2 4.23Å; C45-V118 WeakPolarHBondContact SG-CG2 3.14Å; I48-V118 HydrophobicContact CD1-CG2 4.07Å; E51-V118 PolarHBondContact O-N 2.77Å; I52-V118 CarbonylContact C-O 3.58Å; I52-V118 WeakPolarHBondContact CA-O 3.43Å; V53-V118 PolarHBondContact N-O 3Å
119	M	97.2	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.7	176.2	-171.9	171.6	-72.3	0	0	110.7	L26 I27 V28 I29 V53 A55 I107 I127 M130	L26-M119 HydrophobicContact CD1-CB 4.42Å; I27-M119 PolarHBondContact O-N 3.12Å; V28-M119 CarbonylContact C-O 3.55Å; V28-M119 WeakPolarHBondContact CA-O 3.16Å; V28-M119 HydrophobicContact CG2-CB 4.26Å; I29-M119 PolarHBondContact N-O 3.34Å; V53-M119 HydrophobicContact CG1-CE 4.18Å; V53-M119 VanDerWaalsContact O-CA 3.29Å; V53-M119 WeakPolarHBondContact O-CA 3.33Å; A55-M119 HydrophobicContact CB-CG 3.9Å; A55-M119 HydrophobicContact CB-SD 4.23Å; I107-M119 HydrophobicContact CD1-CE 3.89Å; M119-I127 HydrophobicContact CG-CG1 4.48Å; M119-I127 HydrophobicContact SD-CB 4.43Å; M119-I127 HydrophobicContact SD-CG1 4.15Å; M119-I127 HydrophobicContact SD-CG2 4.28Å; M119-M130 HydrophobicContact CE-CB 3.62Å; M119-M130 HydrophobicContact CE-CE 3.65Å; M119-M130 HydrophobicContact CE-CG 3.52Å; M119-M130 HydrophobicContact CE-SD 4.35Å; M119-M130 HydrophobicContact SD-CB 3.81Å; M119-M130 HydrophobicContact SD-CG 3.98Å
120	V	96.5	Very high	93.3	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.03	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.1	179.5	68	0	0	0	0	110.1	I29 K37 A41 I52 V53 S54 A55	I29-V120 HydrophobicContact CB-CB 4.38Å; I29-V120 HydrophobicContact CB-CG2 4.08Å; I29-V120 HydrophobicContact CG2-CG2 4.21Å; K37-V120 HydrophobicContact CB-CG2 3.64Å; A41-V120 HydrophobicContact CB-CB 4.03Å; A41-V120 HydrophobicContact CB-CG1 4.09Å; A41-V120 HydrophobicContact CB-CG2 4.09Å; I52-V120 HydrophobicContact CG2-CG1 3.37Å; V53-V120 PolarHBondContact O-N 2.66Å; S54-V120 CarbonylContact C-O 3.53Å; S54-V120 WeakPolarHBondContact CA-O 3.29Å; A55-V120 PolarHBondContact N-O 2.83Å
121	G	91.5	Very high	93	Very high	4 Å²	4	33.5 Å²	33.5	4%	0.041	15%	0.15	C	C	.	.			trans	-177.7	163.5	-178.9	0	0	0	0	0	115.4	K37 A55	K37-G121 WeakPolarHBondContact CE-O 3.05Å; A55-G121 WeakPolarHBondContact O-CA 3.24Å
122	G	88.6	Confident	92.6	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.031	15%	0.146	C	C	.	.	S	Bend	trans	-92.3	-18.5	171.3	0	0	0	0	0	113.7	N124 Y318 Q322	G122-N124 VanDerWaalsContact C-N 3.35Å; G122-N124 PolarHBondContact O-N 3.16Å; G122-N124 VanDerWaalsContact O-N 3.08Å; G122-Y318 PolarHBondContact O-OH 3.42Å; G122-Q322 VanDerWaalsContact C-NE2 3.32Å; G122-Q322 PolarHBondContact O-NE2 3.21Å
123	T	92.4	Very high	91.9	Very high	16 Å²	16	27.9 Å²	27.9	10%	0.098	13%	0.132	C	C	.	.			trans	-89.2	77.7	-176.6	-57.3	0	0	0	0	109.3	A55 S57 Y125 Y126 I127	A55-T123 WeakPolarHBondContact O-CB 3.49Å; A55-T123 PolarHBondContact O-N 3.23Å; S57-T123 PolarHBondContact N-OG1 2.98Å; S57-T123 PolarHBondContact OG-OG1 2.85Å; T123-Y125 PolarHBondContact O-N 3.19Å; T123-Y126 HydrophobicContact CG2-CD1 3.7Å; T123-Y126 HydrophobicContact CG2-CD2 4Å; T123-Y126 HydrophobicContact CG2-CE1 4.15Å; T123-Y126 HydrophobicContact CG2-CE2 4.43Å; T123-Y126 HydrophobicContact CG2-CG 3.62Å; T123-Y126 WeakPolarHBondContact O-CB 3.4Å; T123-Y126 PolarHBondContact O-N 3.35Å; T123-I127 PolarHBondContact O-N 3.07Å
124	N	92.3	Very high	90.6	Very high	6 Å²	6	23.4 Å²	23.4	3%	0.032	12%	0.115	C	C	.	.	H	α-helix	trans	-53.1	-29.7	-179	-62.3	-41.8	0	0	0	113.4	G122 Y126 I127 E128 Q322 W325 I326 F330	G122-N124 VanDerWaalsContact C-N 3.35Å; G122-N124 PolarHBondContact O-N 3.16Å; G122-N124 VanDerWaalsContact O-N 3.08Å; N124-Y126 VanDerWaalsContact C-N 3.31Å; N124-Y126 PolarHBondContact O-N 3Å; N124-I127 PolarHBondContact O-N 3.47Å; N124-E128 WeakPolarHBondContact O-CG 3.46Å; N124-E128 PolarHBondContact O-N 3.38Å; N124-Q322 PolarHBondContact ND2-O 3.07Å; N124-W325 HydrophobicContact CB-CG 4.09Å; N124-I326 WeakPolarHBondContact ND2-CG1 3.24Å; N124-F330 HydrophobicContact CB-CE2 4.03Å; N124-F330 HydrophobicContact CB-CZ 4.48Å
125	Y	89.3	Confident	88.7	Confident	93 Å²	93	19 Å²	19	37%	0.365	9%	0.091	S	C	.	.	H	α-helix	trans	-61.7	-36.7	175	-177.4	-116.9	0	0	0	113.2	V96 T123 A129 F136 W325	V96-Y125 HydrophobicContact CB-CD1 4.19Å; V96-Y125 HydrophobicContact CB-CE1 3.61Å; V96-Y125 HydrophobicContact CG1-CE1 3.74Å; V96-Y125 HydrophobicContact CG2-CD1 4.03Å; V96-Y125 HydrophobicContact CG2-CE1 3.73Å; T123-Y125 PolarHBondContact O-N 3.19Å; Y125-A129 PolarHBondContact O-N 2.97Å; Y125-F136 AromaticContact CE2-CE1 3.96Å; Y125-F136 HydrophobicContact CE2-CE1 3.96Å; Y125-F136 HydrophobicContact CE2-CZ 4.01Å; Y125-F136 AromaticContact CZ-CE1 3.79Å; Y125-F136 WeakPolarHBondContact OH-CE1 3.4Å; Y125-W325 HydrophobicContact CD2-CH2 4.24Å; Y125-W325 HydrophobicContact CD2-CZ2 4.05Å
126	Y	92.4	Very high	86.7	Confident	25 Å²	25	17 Å²	17	10%	0.098	8%	0.082	C	C	.	.	H	α-helix	trans	-72.1	-41.3	175.7	-76.7	10.1	0	0	0	110.9	L60 V96 F99 T123 N124 E128 A129 M130	L60-Y126 HydrophobicContact CD1-CE2 4.15Å; V96-Y126 HydrophobicContact CB-CD1 4.09Å; V96-Y126 HydrophobicContact CB-CE1 3.92Å; V96-Y126 HydrophobicContact CG2-CD1 3.82Å; V96-Y126 HydrophobicContact CG2-CE1 4.18Å; F99-Y126 HydrophobicContact CB-CD2 4.03Å; F99-Y126 HydrophobicContact CB-CE2 3.97Å; F99-Y126 HydrophobicContact CB-CG 4.43Å; F99-Y126 AromaticContact CD1-CD2 3.67Å; F99-Y126 HydrophobicContact CD1-CD2 3.67Å; F99-Y126 HydrophobicContact CD1-CE2 4.46Å; F99-Y126 AromaticContact CD1-CG 3.74Å; F99-Y126 HydrophobicContact CD1-CG 3.74Å; F99-Y126 AromaticContact CD2-CD2 3.57Å; F99-Y126 HydrophobicContact CD2-CD2 3.57Å; F99-Y126 AromaticContact CD2-CE2 3.86Å; F99-Y126 HydrophobicContact CD2-CE2 3.86Å; F99-Y126 HydrophobicContact CD2-CG 4.46Å; F99-Y126 HydrophobicContact CE1-CD2 4.03Å; F99-Y126 HydrophobicContact CE1-CG 4.13Å; F99-Y126 AromaticContact CE2-CD2 3.92Å; F99-Y126 HydrophobicContact CE2-CD2 3.92Å; F99-Y126 AromaticContact CG-CD2 3.43Å; F99-Y126 HydrophobicContact CG-CD2 3.43Å; F99-Y126 VanDerWaalsContact CG-CD2 3.43Å; F99-Y126 AromaticContact CG-CE2 3.81Å; F99-Y126 HydrophobicContact CG-CE2 3.81Å; F99-Y126 AromaticContact CG-CG 3.92Å; F99-Y126 HydrophobicContact CG-CG 3.92Å; F99-Y126 HydrophobicContact CZ-CD2 4.14Å; T123-Y126 HydrophobicContact CG2-CD1 3.7Å; T123-Y126 HydrophobicContact CG2-CD2 4Å; T123-Y126 HydrophobicContact CG2-CE1 4.15Å; T123-Y126 HydrophobicContact CG2-CE2 4.43Å; T123-Y126 HydrophobicContact CG2-CG 3.62Å; T123-Y126 WeakPolarHBondContact O-CB 3.4Å; T123-Y126 PolarHBondContact O-N 3.35Å; N124-Y126 VanDerWaalsContact C-N 3.31Å; N124-Y126 PolarHBondContact O-N 3Å; Y126-E128 VanDerWaalsContact C-N 3.29Å; Y126-E128 PolarHBondContact O-N 3.39Å; Y126-A129 WeakPolarHBondContact O-CB 3.45Å; Y126-A129 PolarHBondContact O-N 3.3Å; Y126-A129 VanDerWaalsContact O-N 3.14Å; Y126-M130 WeakPolarHBondContact O-CG 3.37Å; Y126-M130 PolarHBondContact O-N 3.28Å; Y126-M130 VanDerWaalsContact O-N 3.12Å
127	I	92.9	Very high	84.7	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.2	-40	176.1	-59.6	177.5	0	0	0	110.9	V28 L30 A55 M119 T123 N124 A129 M130 L131 F330	V28-I127 HydrophobicContact CG1-CD1 4.49Å; V28-I127 HydrophobicContact CG1-CG2 3.43Å; V28-I127 VanDerWaalsContact CG1-CG2 3.43Å; L30-I127 HydrophobicContact CD2-CB 4.43Å; L30-I127 HydrophobicContact CD2-CD1 3.48Å; L30-I127 VanDerWaalsContact CD2-CD1 3.48Å; L30-I127 HydrophobicContact CD2-CG2 3.94Å; A55-I127 HydrophobicContact CB-CD1 4.13Å; A55-I127 HydrophobicContact CB-CG1 3.54Å; M119-I127 HydrophobicContact CG-CG1 4.48Å; M119-I127 HydrophobicContact SD-CB 4.43Å; M119-I127 HydrophobicContact SD-CG1 4.15Å; M119-I127 HydrophobicContact SD-CG2 4.28Å; T123-I127 PolarHBondContact O-N 3.07Å; N124-I127 PolarHBondContact O-N 3.47Å; I127-A129 VanDerWaalsContact C-N 3.34Å; I127-A129 PolarHBondContact O-N 2.73Å; I127-M130 PolarHBondContact O-N 3.33Å; I127-L131 HydrophobicContact CG2-CD1 3.9Å; I127-L131 HydrophobicContact CG2-CG 4.39Å; I127-L131 PolarHBondContact O-N 2.83Å; I127-F330 HydrophobicContact CB-CZ 4.46Å; I127-F330 HydrophobicContact CG2-CE1 4.22Å; I127-F330 HydrophobicContact CG2-CZ 4.22Å
128	E	89.7	Confident	82.3	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-60.7	-42	174.3	-75.3	179.8	-155.5	0	0	112.8	N124 Y126 M130 L131 W132 W325 R329 F330	N124-E128 WeakPolarHBondContact O-CG 3.46Å; N124-E128 PolarHBondContact O-N 3.38Å; Y126-E128 VanDerWaalsContact C-N 3.29Å; Y126-E128 PolarHBondContact O-N 3.39Å; E128-M130 PolarHBondContact O-N 2.92Å; E128-L131 PolarHBondContact O-N 2.94Å; E128-W132 HydrophobicContact CB-CE3 4.2Å; E128-W132 HydrophobicContact CB-CZ3 4.35Å; E128-W132 HydrophobicContact CG-CE3 4.25Å; E128-W132 HydrophobicContact CG-CZ3 3.96Å; E128-W132 PolarHBondContact O-N 3.23Å; E128-W325 VanDerWaalsContact OE1-CE2 3.3Å; E128-W325 PolarHBondContact OE1-NE1 3.03Å; E128-R329 WeakPolarHBondContact OE1-CB 3.31Å; E128-R329 WeakPolarHBondContact OE1-CG 3.41Å; E128-R329 IonicContact OE1-NE 2.66Å; E128-R329 PolarHBondContact OE1-NE 3.22Å; E128-R329 IonicContact OE2-CZ 2.61Å; E128-R329 VanDerWaalsContact OE2-CZ 3.29Å; E128-R329 IonicContact OE2-NE 3.15Å; E128-R329 PolarHBondContact OE2-NE 3.17Å; E128-R329 VanDerWaalsContact OE2-NE 3.12Å; E128-R329 IonicContact OE2-NH2 3.22Å; E128-R329 PolarHBondContact OE2-NH2 3.39Å; E128-F330 HydrophobicContact CG-CE1 4.28Å; E128-F330 HydrophobicContact CG-CE2 3.63Å; E128-F330 HydrophobicContact CG-CZ 3.43Å; E128-F330 VanDerWaalsContact CG-CZ 3.43Å; E128-F330 WeakPolarHBondContact OE1-CE2 3.21Å
129	A	88.5	Confident	79.7	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.9	-27.9	178.9	0	0	0	0	0	113.2	V96 Y125 Y126 I127 F136	V96-A129 HydrophobicContact CG2-CB 3.45Å; V96-A129 VanDerWaalsContact CG2-CB 3.45Å; Y125-A129 PolarHBondContact O-N 2.97Å; Y126-A129 WeakPolarHBondContact O-CB 3.45Å; Y126-A129 PolarHBondContact O-N 3.3Å; Y126-A129 VanDerWaalsContact O-N 3.14Å; I127-A129 VanDerWaalsContact C-N 3.34Å; I127-A129 PolarHBondContact O-N 2.73Å; A129-F136 HydrophobicContact CB-CD2 4.38Å; A129-F136 HydrophobicContact CB-CE2 3.5Å; A129-F136 VanDerWaalsContact CB-CE2 3.5Å; A129-F136 HydrophobicContact CB-CZ 4.17Å
130	M	90.7	Very high	77	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-81.7	-36.5	176.8	-71.3	-59.8	-62.6	0	0	113.2	F99 R100 L104 I107 M119 Y126 I127 E128 R219	F99-M130 HydrophobicContact CD1-CG 4.25Å; F99-M130 HydrophobicContact CE1-CG 3.72Å; F99-M130 HydrophobicContact CE1-SD 4.33Å; R100-M130 HydrophobicContact CB-SD 4.4Å; R100-M130 HydrophobicContact CG-SD 4.37Å; L104-M130 HydrophobicContact CD2-CE 3.84Å; L104-M130 HydrophobicContact CG-CE 4.01Å; L104-M130 HydrophobicContact CG-SD 4.28Å; I107-M130 HydrophobicContact CD1-CE 3.29Å; I107-M130 HydrophobicContact CG1-CE 4.34Å; M119-M130 HydrophobicContact CE-CB 3.62Å; M119-M130 HydrophobicContact CE-CE 3.65Å; M119-M130 HydrophobicContact CE-CG 3.52Å; M119-M130 HydrophobicContact CE-SD 4.35Å; M119-M130 HydrophobicContact SD-CB 3.81Å; M119-M130 HydrophobicContact SD-CG 3.98Å; Y126-M130 WeakPolarHBondContact O-CG 3.37Å; Y126-M130 PolarHBondContact O-N 3.28Å; Y126-M130 VanDerWaalsContact O-N 3.12Å; I127-M130 PolarHBondContact O-N 3.33Å; E128-M130 PolarHBondContact O-N 2.92Å; M130-R219 WeakPolarHBondContact O-CD 3.45Å
131	L	89.6	Confident	74.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-77.8	-48.5	-179.8	-78.9	172.3	0	0	0	112.1	L26 V28 I127 E128 L218 R219 I225 F330	L26-L131 HydrophobicContact CD2-CD2 4.13Å; V28-L131 HydrophobicContact CG2-CD1 4.28Å; V28-L131 HydrophobicContact CG2-CD2 3.82Å; V28-L131 HydrophobicContact CG2-CG 4.22Å; I127-L131 HydrophobicContact CG2-CD1 3.9Å; I127-L131 HydrophobicContact CG2-CG 4.39Å; I127-L131 PolarHBondContact O-N 2.83Å; E128-L131 PolarHBondContact O-N 2.94Å; L131-L218 HydrophobicContact CB-CD1 4.3Å; L131-L218 HydrophobicContact CD2-CD1 4.32Å; L131-L218 WeakPolarHBondContact O-CD1 3.06Å; L131-R219 PolarHBondContact O-N 3.41Å; L131-I225 HydrophobicContact CD1-CD1 3.95Å; L131-I225 HydrophobicContact CD1-CG1 4.43Å; L131-F330 HydrophobicContact CD1-CE1 3.89Å
132	W	86.4	Confident	72.5	Confident	1 Å²	1	32.2 Å²	32.2	0%	0.004	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-106.3	140.3	-175.1	-65.6	-79.3	0	0	0	111	E128 N134 P217 F330 R333 D337	E128-W132 HydrophobicContact CB-CE3 4.2Å; E128-W132 HydrophobicContact CB-CZ3 4.35Å; E128-W132 HydrophobicContact CG-CE3 4.25Å; E128-W132 HydrophobicContact CG-CZ3 3.96Å; E128-W132 PolarHBondContact O-N 3.23Å; W132-N134 PolarHBondContact O-N 3.03Å; W132-P217 WeakPolarHBondContact CA-O 3.29Å; W132-F330 AromaticContact CH2-CD1 3.72Å; W132-F330 HydrophobicContact CH2-CD1 3.72Å; W132-F330 AromaticContact CH2-CE1 3.82Å; W132-F330 HydrophobicContact CH2-CE1 3.82Å; W132-F330 HydrophobicContact CZ3-CD1 4.01Å; W132-F330 AromaticContact CZ3-CE1 3.65Å; W132-F330 HydrophobicContact CZ3-CE1 3.65Å; W132-F330 HydrophobicContact CZ3-CZ 4.21Å; W132-R333 VanDerWaalsContact CD1-NH2 3.33Å; W132-R333 VanDerWaalsContact CD2-NH1 3.35Å; W132-D337 PolarHBondContact NE1-O 3.47Å
133	D	79.9	Confident	70.6	Confident	50 Å²	50	40 Å²	40	27%	0.267	21%	0.213	S	C	.	.			trans	-75	75.3	171.2	-166.5	11.4	0	0	0	109.7	G216 P217 R219	D133-G216 VanDerWaalsContact O-CA 3.29Å; D133-G216 WeakPolarHBondContact O-CA 3.32Å; D133-P217 HydrophobicContact CB-CG 4.27Å; D133-P217 PolarHBondContact N-O 2.98Å; D133-R219 HydrophobicContact CB-CG 4.01Å; D133-R219 IonicContact OD1-CZ 2.8Å; D133-R219 IonicContact OD1-NH1 3.42Å; D133-R219 PolarHBondContact OD1-NH1 3.3Å; D133-R219 VanDerWaalsContact OD1-NH1 3.16Å; D133-R219 IonicContact OD1-NH2 3.19Å; D133-R219 PolarHBondContact OD1-NH2 3.42Å; D133-R219 IonicContact OD2-NH1 3.15Å
134	N	67.6	Low	68.8	Low	8 Å²	8	42.3 Å²	42.3	4%	0.043	23%	0.228	C	C	.	.			trans	-75.3	130	173.8	-65.2	-24.3	0	0	0	108.2	W132 F136 Q205 G215 G216	W132-N134 PolarHBondContact O-N 3.03Å; N134-F136 HydrophobicContact CB-CD2 3.65Å; N134-F136 HydrophobicContact CB-CE2 3.47Å; N134-F136 VanDerWaalsContact CB-CE2 3.47Å; N134-F136 HydrophobicContact CB-CG 4.28Å; N134-F136 HydrophobicContact CB-CZ 3.97Å; N134-F136 PolarHBondContact O-N 3.15Å; N134-Q205 PolarHBondContact OD1-NE2 2.01Å; N134-G215 WeakPolarHBondContact OD1-CA 3.43Å; N134-G216 PolarHBondContact OD1-N 3.03Å
135	L	54	Low	67.2	Low	61 Å²	61	45.2 Å²	45.2	32%	0.319	24%	0.239	S	C	.	.			trans	-65.5	63.3	161.4	-74.6	163.3	0	0	0	108.4	L137 Q205	L135-L137 PolarHBondContact O-N 3.36Å; L135-Q205 HydrophobicContact CB-CG 4.42Å; L135-Q205 HydrophobicContact CD1-CB 3.79Å; L135-Q205 HydrophobicContact CD1-CG 4.02Å; L135-Q205 HydrophobicContact CG-CG 4.48Å
136	F	53.8	Low	66	Low	36 Å²	36	45.2 Å²	45.2	16%	0.158	24%	0.239	C	C	.	.			trans	-68.1	97	153	-57.9	-72.4	0	0	0	103.4	V96 H97 Y125 A129 N134 D138	V96-F136 HydrophobicContact CG2-CE2 4.49Å; H97-F136 WeakPolarHBondContact CE1-CB 2.91Å; H97-F136 PolarHBondContact CE1-O 2.93Å; H97-F136 VanDerWaalsContact CE1-O 3.26Å; Y125-F136 AromaticContact CE2-CE1 3.96Å; Y125-F136 HydrophobicContact CE2-CE1 3.96Å; Y125-F136 HydrophobicContact CE2-CZ 4.01Å; Y125-F136 AromaticContact CZ-CE1 3.79Å; Y125-F136 WeakPolarHBondContact OH-CE1 3.4Å; A129-F136 HydrophobicContact CB-CD2 4.38Å; A129-F136 HydrophobicContact CB-CE2 3.5Å; A129-F136 VanDerWaalsContact CB-CE2 3.5Å; A129-F136 HydrophobicContact CB-CZ 4.17Å; N134-F136 HydrophobicContact CB-CD2 3.65Å; N134-F136 HydrophobicContact CB-CE2 3.47Å; N134-F136 VanDerWaalsContact CB-CE2 3.47Å; N134-F136 HydrophobicContact CB-CG 4.28Å; N134-F136 HydrophobicContact CB-CZ 3.97Å; N134-F136 PolarHBondContact O-N 3.15Å; F136-D138 PolarHBondContact O-N 2.95Å
137	L	50.8	Low	64.6	Low	20 Å²	20	48 Å²	48	11%	0.105	25%	0.251	C	S	.	.			trans	-46.3	112.6	-174	-70.5	145.6	0	0	0	109.7	L135 S139 R186 I190 H194 L201	L135-L137 PolarHBondContact O-N 3.36Å; L137-S139 VanDerWaalsContact C-N 3.29Å; L137-S139 PolarHBondContact O-N 3.45Å; L137-R186 PolarHBondContact O-NH2 3.15Å; L137-I190 HydrophobicContact CD1-CB 4.07Å; L137-I190 HydrophobicContact CD1-CD1 3.68Å; L137-I190 HydrophobicContact CD1-CG1 3.61Å; L137-I190 HydrophobicContact CD1-CG2 3.36Å; L137-H194 WeakPolarHBondContact CB-NE2 3.32Å; L137-L201 HydrophobicContact CD1-CD1 3.45Å; L137-L201 VanDerWaalsContact CD1-CD1 3.45Å; L137-L201 HydrophobicContact CD2-CD1 3.65Å; L137-L201 HydrophobicContact CD2-CD2 4.14Å; L137-L201 HydrophobicContact CD2-CG 4.39Å; L137-L201 HydrophobicContact CG-CD1 4.13Å
138	D	48.2	Very low	63.5	Low	100 Å²	100	51.7 Å²	51.7	54%	0.535	27%	0.271	S	S	.	.			trans	-72.4	89.4	-178.3	-71.8	-37.5	0	0	0	106.8	H97 R100 F136 A140	H97-D138 IonicContact ND1-OD1 3.95Å; H97-D138 PolarHBondContact ND1-OD1 3.39Å; R100-D138 IonicContact CZ-OD1 3.16Å; R100-D138 VanDerWaalsContact CZ-OD1 3.28Å; R100-D138 IonicContact NH1-OD1 2.73Å; R100-D138 PolarHBondContact NH1-OD1 2.85Å; R100-D138 IonicContact NH1-OD2 3.77Å; R100-D138 IonicContact NH2-OD1 3.72Å; R100-D138 PolarHBondContact NH2-OD1 3.4Å; R100-D138 IonicContact NH2-OD2 3.68Å; F136-D138 PolarHBondContact O-N 2.95Å; D138-A140 VanDerWaalsContact C-N 3.27Å; D138-A140 PolarHBondContact O-N 2.92Å
139	S	41.2	Very low	62.9	Low	21 Å²	21	52.5 Å²	52.5	15%	0.147	28%	0.276	C	S	.	.			trans	-77.6	94.6	149.7	49.6	0	0	0	0	105.5	L137 D141 S142	L137-S139 VanDerWaalsContact C-N 3.29Å; L137-S139 PolarHBondContact O-N 3.45Å; S139-D141 PolarHBondContact O-N 3.3Å; S139-S142 PolarHBondContact O-N 3.47Å; S139-S142 PolarHBondContact O-OG 3.29Å; S139-S142 WeakPolarHBondContact OG-CB 3.29Å; S139-S142 PolarHBondContact OG-OG 3.43Å
140	A	41.4	Very low	62.5	Low	101 Å²	101	53.8 Å²	53.8	84%	0.835	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-10.6	-179.8	0	0	0	0	0	114.3	D138	D138-A140 VanDerWaalsContact C-N 3.27Å; D138-A140 PolarHBondContact O-N 2.92Å
141	D	44.3	Very low	62.1	Low	114 Å²	114	57.6 Å²	57.6	61%	0.61	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	3.5	179.9	-81.2	-41.8	0	0	0	116.6	S139 K143 F147	S139-D141 PolarHBondContact O-N 3.3Å; D141-K143 VanDerWaalsContact C-N 3.3Å; D141-K143 PolarHBondContact O-N 3.39Å; D141-F147 HydrophobicContact CB-CE1 4.03Å; D141-F147 WeakPolarHBondContact O-CD1 3.42Å; D141-F147 WeakPolarHBondContact O-CE1 3.48Å
142	S	47.5	Very low	61.9	Low	20 Å²	20	60.6 Å²	60.6	14%	0.14	34%	0.337	C	S	.	.			trans	-78.5	76.9	-176.7	68.7	0	0	0	0	112.6	S139 T144	S139-S142 PolarHBondContact O-N 3.47Å; S139-S142 PolarHBondContact O-OG 3.29Å; S139-S142 WeakPolarHBondContact OG-CB 3.29Å; S139-S142 PolarHBondContact OG-OG 3.43Å; S142-T144 PolarHBondContact O-N 3.01Å
143	K	50	Low	61.8	Low	166 Å²	166	61.9 Å²	61.9	72%	0.722	34%	0.342	S	S	*	.	S	Bend	trans	-62	-19.5	171.5	-68.1	-178.9	-178.5	175.3	0	112.5	G93 D141	G93-K143 WeakPolarHBondContact CA-O 2.99Å; D141-K143 VanDerWaalsContact C-N 3.3Å; D141-K143 PolarHBondContact O-N 3.39Å
144	T	55.3	Low	61.9	Low	66 Å²	66	63.5 Å²	63.5	41%	0.405	35%	0.35	S	S	.	.	S	Bend	trans	-132.7	149.8	175.3	69.2	0	0	0	0	111.4	S142 Y146 F147	S142-T144 PolarHBondContact O-N 3.01Å; T144-Y146 PolarHBondContact O-N 3.17Å; T144-Y146 VanDerWaalsContact O-N 3.08Å; T144-F147 VanDerWaalsContact O-CB 3.24Å; T144-F147 WeakPolarHBondContact O-CB 2.9Å; T144-F147 PolarHBondContact O-N 3.02Å; T144-F147 PolarHBondContact OG1-N 2.89Å
145	Y	57.4	Low	62.8	Low	66 Å²	66	68 Å²	68	26%	0.259	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.3	177.7	-171.1	-97.4	0	0	0	113.2	R182 R186 Q189	Y145-R182 HydrophobicContact CE1-CG 3.68Å; Y145-R182 HydrophobicContact CE2-CG 4.19Å; Y145-R182 VanDerWaalsContact CZ-CG 3.41Å; Y145-R182 WeakPolarHBondContact OH-CG 3.45Å; Y145-R182 PolarHBondContact OH-O 3.07Å; Y145-R186 HydrophobicContact CE1-CB 4.47Å; Y145-R186 HydrophobicContact CE2-CB 4.26Å; Y145-R186 WeakPolarHBondContact OH-CB 3.4Å; Y145-Q189 PolarHBondContact O-NE2 3.44Å; Y145-Q189 PolarHBondContact O-OE1 3.43Å
146	Y	63.9	Low	64.4	Low	93 Å²	93	67.5 Å²	67.5	37%	0.365	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	3	-178.1	-53.1	-73.7	0	0	0	113.1	T144 N148 L149 L154 L185	T144-Y146 PolarHBondContact O-N 3.17Å; T144-Y146 VanDerWaalsContact O-N 3.08Å; Y146-N148 PolarHBondContact O-N 2.89Å; Y146-L149 HydrophobicContact CD1-CD2 4.28Å; Y146-L149 WeakPolarHBondContact O-CB 3.14Å; Y146-L149 PolarHBondContact O-N 3.25Å; Y146-L154 HydrophobicContact CD1-CD2 3.41Å; Y146-L154 VanDerWaalsContact CD1-CD2 3.41Å; Y146-L154 HydrophobicContact CE1-CD2 3.86Å; Y146-L154 HydrophobicContact CG-CD2 4.01Å; Y146-L185 HydrophobicContact CE1-CD1 3.97Å
147	F	63.9	Low	66.2	Low	83 Å²	83	68 Å²	68	36%	0.364	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	136.7	177.9	-165	-105.6	0	0	0	110.1	D141 T144 L149 Q189	D141-F147 HydrophobicContact CB-CE1 4.03Å; D141-F147 WeakPolarHBondContact O-CD1 3.42Å; D141-F147 WeakPolarHBondContact O-CE1 3.48Å; T144-F147 VanDerWaalsContact O-CB 3.24Å; T144-F147 WeakPolarHBondContact O-CB 2.9Å; T144-F147 PolarHBondContact O-N 3.02Å; T144-F147 PolarHBondContact OG1-N 2.89Å; F147-L149 PolarHBondContact O-N 3.1Å; F147-L149 VanDerWaalsContact O-N 3.13Å; F147-Q189 PolarHBondContact O-NE2 2.85Å
148	N	69.8	Low	68.2	Low	78 Å²	78	69 Å²	69	42%	0.417	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	7.5	-173	-56.1	-29.7	0	0	0	116.2	Y146 Y192 V193	Y146-N148 PolarHBondContact O-N 2.89Å; N148-Y192 WeakPolarHBondContact O-CD1 3.47Å; N148-V193 HydrophobicContact CB-CG2 3.85Å
149	L	77.5	Confident	70.3	Confident	18 Å²	18	69.1 Å²	69.1	9%	0.094	39%	0.39	C	S	.	.			trans	-81.2	130.5	171.5	-159.8	79.1	0	0	0	109.3	Y146 F147 A151 F153 L154 L185 Q189	Y146-L149 HydrophobicContact CD1-CD2 4.28Å; Y146-L149 WeakPolarHBondContact O-CB 3.14Å; Y146-L149 PolarHBondContact O-N 3.25Å; F147-L149 PolarHBondContact O-N 3.1Å; F147-L149 VanDerWaalsContact O-N 3.13Å; L149-A151 PolarHBondContact O-N 2.95Å; L149-F153 HydrophobicContact CD1-CD2 3.74Å; L149-F153 HydrophobicContact CD1-CE2 4.46Å; L149-F153 HydrophobicContact CD2-CB 3.85Å; L149-F153 HydrophobicContact CD2-CD2 4.37Å; L149-F153 HydrophobicContact CG-CB 4.09Å; L149-F153 HydrophobicContact CG-CD2 3.82Å; L149-F153 HydrophobicContact CG-CG 4.46Å; L149-L154 HydrophobicContact CD2-CD2 3.84Å; L149-L154 HydrophobicContact CD2-CG 4.39Å; L149-L185 HydrophobicContact CD2-CB 4.47Å; L149-L185 HydrophobicContact CD2-CD2 3.66Å; L149-Q189 HydrophobicContact CD1-CB 3.65Å; L149-Q189 HydrophobicContact CD1-CG 4.09Å
150	P	79.4	Confident	72.8	Confident	28 Å²	28	72.3 Å²	72.3	18%	0.182	40%	0.403	C	S	.	.			trans	-51.5	130.6	170.8	-28.3	35.2	0	0	0	111.3	S152 F153 Y192	P150-S152 PolarHBondContact O-N 2.96Å; P150-S152 VanDerWaalsContact O-N 3.12Å; P150-F153 HydrophobicContact CB-CD2 4.18Å; P150-F153 HydrophobicContact CB-CE2 4.31Å; P150-F153 HydrophobicContact CB-CG 4.29Å; P150-F153 HydrophobicContact CG-CD2 3.99Å; P150-F153 HydrophobicContact CG-CE2 3.76Å; P150-F153 HydrophobicContact CG-CZ 4.17Å; P150-F153 WeakPolarHBondContact O-CB 3.35Å; P150-F153 PolarHBondContact O-N 2.86Å; P150-Y192 HydrophobicContact CG-CD1 4.37Å; P150-Y192 HydrophobicContact CG-CD2 4.1Å; P150-Y192 HydrophobicContact CG-CE1 4.18Å; P150-Y192 HydrophobicContact CG-CE2 3.9Å; P150-Y192 HydrophobicContact CG-CG 4.33Å
151	A	81.4	Confident	75.2	Confident	79 Å²	79	67.5 Å²	67.5	65%	0.653	36%	0.363	S	S	*	.	H	α-helix	trans	-57	-30.5	-179.3	0	0	0	0	0	112.2	L149 F153 L154	L149-A151 PolarHBondContact O-N 2.95Å; A151-F153 PolarHBondContact O-N 3.43Å; A151-L154 WeakPolarHBondContact O-CB 3.31Å; A151-L154 PolarHBondContact O-N 3.25Å
152	S	85.4	Confident	77.6	Confident	64 Å²	64	63.7 Å²	63.7	45%	0.448	34%	0.341	S	S	.	.	H	α-helix	trans	-57.1	-34	174.2	53.1	0	0	0	0	113.5	P150 L154 S155 M156	P150-S152 PolarHBondContact O-N 2.96Å; P150-S152 VanDerWaalsContact O-N 3.12Å; S152-L154 VanDerWaalsContact C-N 3.25Å; S152-L154 PolarHBondContact O-N 2.81Å; S152-S155 PolarHBondContact O-N 2.63Å; S152-S155 PolarHBondContact O-OG 2.91Å; S152-M156 VanDerWaalsContact O-CG 3.31Å; S152-M156 WeakPolarHBondContact O-CG 3.26Å; S152-M156 PolarHBondContact O-N 3.12Å
153	F	85.8	Confident	79.8	Confident	27 Å²	27	68 Å²	68	12%	0.118	36%	0.359	C	S	.	.	H	α-helix	trans	-69.8	-25.5	177.6	-65.7	-13.3	0	0	0	112.3	L149 P150 A151 S155 M156 L161 T164 R181 L185 L188	L149-F153 HydrophobicContact CD1-CD2 3.74Å; L149-F153 HydrophobicContact CD1-CE2 4.46Å; L149-F153 HydrophobicContact CD2-CB 3.85Å; L149-F153 HydrophobicContact CD2-CD2 4.37Å; L149-F153 HydrophobicContact CG-CB 4.09Å; L149-F153 HydrophobicContact CG-CD2 3.82Å; L149-F153 HydrophobicContact CG-CG 4.46Å; P150-F153 HydrophobicContact CB-CD2 4.18Å; P150-F153 HydrophobicContact CB-CE2 4.31Å; P150-F153 HydrophobicContact CB-CG 4.29Å; P150-F153 HydrophobicContact CG-CD2 3.99Å; P150-F153 HydrophobicContact CG-CE2 3.76Å; P150-F153 HydrophobicContact CG-CZ 4.17Å; P150-F153 WeakPolarHBondContact O-CB 3.35Å; P150-F153 PolarHBondContact O-N 2.86Å; A151-F153 PolarHBondContact O-N 3.43Å; F153-S155 VanDerWaalsContact C-N 3.34Å; F153-M156 HydrophobicContact CD1-SD 3.74Å; F153-M156 HydrophobicContact CE1-SD 4.33Å; F153-L161 HydrophobicContact CB-CD2 3.87Å; F153-L161 HydrophobicContact CD1-CD2 4.39Å; F153-L161 HydrophobicContact CG-CD2 4.22Å; F153-T164 HydrophobicContact CE1-CG2 4.06Å; F153-T164 HydrophobicContact CZ-CG2 4.17Å; F153-R181 PolarHBondContact O-NH2 3.09Å; F153-L185 HydrophobicContact CB-CD2 4.06Å; F153-L188 HydrophobicContact CD2-CB 4.4Å; F153-L188 HydrophobicContact CD2-CD1 4.48Å; F153-L188 HydrophobicContact CE2-CB 4.16Å
154	L	82.3	Confident	81.9	Confident	84 Å²	84	61.5 Å²	61.5	44%	0.44	33%	0.333	S	S	.	.	H	α-helix	trans	-72.4	-31.6	177.6	-60.2	177.9	0	0	0	111.7	Y146 L149 A151 S152 R181	Y146-L154 HydrophobicContact CD1-CD2 3.41Å; Y146-L154 VanDerWaalsContact CD1-CD2 3.41Å; Y146-L154 HydrophobicContact CE1-CD2 3.86Å; Y146-L154 HydrophobicContact CG-CD2 4.01Å; L149-L154 HydrophobicContact CD2-CD2 3.84Å; L149-L154 HydrophobicContact CD2-CG 4.39Å; A151-L154 WeakPolarHBondContact O-CB 3.31Å; A151-L154 PolarHBondContact O-N 3.25Å; S152-L154 VanDerWaalsContact C-N 3.25Å; S152-L154 PolarHBondContact O-N 2.81Å; L154-R181 PolarHBondContact O-NH2 2.72Å
155	S	85.6	Confident	83.7	Confident	102 Å²	102	58.3 Å²	58.3	71%	0.713	31%	0.314	S	S	*	.	H	α-helix	trans	-85.4	-20	178	53.4	0	0	0	0	114.4	S152 F153	S152-S155 PolarHBondContact O-N 2.63Å; S152-S155 PolarHBondContact O-OG 2.91Å; F153-S155 VanDerWaalsContact C-N 3.34Å
156	M	88	Confident	85.5	Confident	51 Å²	51	59.3 Å²	59.3	25%	0.251	32%	0.321	S	S	.	.	S	Bend	trans	-66.5	147.8	179.6	-80.4	174	139.1	0	0	113.1	S152 F153 E160 L161 R181	S152-M156 VanDerWaalsContact O-CG 3.31Å; S152-M156 WeakPolarHBondContact O-CG 3.26Å; S152-M156 PolarHBondContact O-N 3.12Å; F153-M156 HydrophobicContact CD1-SD 3.74Å; F153-M156 HydrophobicContact CE1-SD 4.33Å; M156-E160 HydrophobicContact CB-CB 4.08Å; M156-E160 HydrophobicContact CE-CB 4.25Å; M156-E160 HydrophobicContact CG-CB 4.18Å; M156-E160 HydrophobicContact SD-CB 4.48Å; M156-L161 HydrophobicContact CB-CD2 4.02Å; M156-L161 HydrophobicContact CB-CG 3.94Å; M156-L161 HydrophobicContact SD-CD2 4.21Å; M156-R181 VanDerWaalsContact O-CZ 3.29Å; M156-R181 PolarHBondContact O-NH1 2.91Å; M156-R181 PolarHBondContact O-NH2 3.27Å
157	S	92	Very high	86.9	Confident	46 Å²	46	63.1 Å²	63.1	32%	0.322	34%	0.339	S	S	.	.			trans	-64.2	168.1	168.2	65.8	0	0	0	0	112.2	E159 E160 L161	S157-E159 VanDerWaalsContact C-N 3.29Å; S157-E159 PolarHBondContact O-N 3.27Å; S157-E160 VanDerWaalsContact CB-OE2 3.32Å; S157-E160 WeakPolarHBondContact CB-OE2 3.39Å; S157-E160 PolarHBondContact N-OE2 3.23Å; S157-E160 WeakPolarHBondContact OG-CB 3.49Å; S157-E160 VanDerWaalsContact OG-CD 3.22Å; S157-E160 WeakPolarHBondContact OG-CG 3.28Å; S157-E160 PolarHBondContact OG-N 3.1Å; S157-E160 PolarHBondContact OG-OE2 2.66Å; S157-L161 VanDerWaalsContact O-CG 3.29Å; S157-L161 WeakPolarHBondContact O-CG 3.48Å; S157-L161 PolarHBondContact O-N 3.28Å; S157-L161 VanDerWaalsContact O-N 3.13Å
158	N	91.4	Very high	88.3	Confident	43 Å²	43	62.2 Å²	62.2	23%	0.23	34%	0.34	C	S	.	.	H	α-helix	trans	-69.4	-33.7	-179	-68.7	-20.6	0	0	0	111.7	H162 R181	N158-H162 WeakPolarHBondContact O-CB 3.41Å; N158-H162 PolarHBondContact O-N 3.4Å; N158-R181 WeakPolarHBondContact OD1-CB 3.35Å; N158-R181 WeakPolarHBondContact OD1-CD 3.35Å; N158-R181 WeakPolarHBondContact OD1-CG 3.42Å; N158-R181 PolarHBondContact OD1-NH1 2.86Å
159	E	93.4	Very high	89.3	Confident	102 Å²	102	58.5 Å²	58.5	48%	0.477	32%	0.32	S	S	.	.	H	α-helix	trans	-67.1	-50	177.5	-65.9	66.5	-148.6	0	0	109.8	S157 L161 H162 E163	S157-E159 VanDerWaalsContact C-N 3.29Å; S157-E159 PolarHBondContact O-N 3.27Å; E159-L161 VanDerWaalsContact C-N 3.31Å; E159-L161 PolarHBondContact O-N 2.94Å; E159-H162 PolarHBondContact O-N 2.75Å; E159-E163 WeakPolarHBondContact O-CG 3.34Å; E159-E163 PolarHBondContact O-N 2.93Å
160	E	93.1	Very high	90.1	Very high	88 Å²	88	60.4 Å²	60.4	41%	0.411	33%	0.334	S	S	.	.	H	α-helix	trans	-60	-39.7	176.6	-73.1	167	135.1	0	0	112.5	M156 S157 T164	M156-E160 HydrophobicContact CB-CB 4.08Å; M156-E160 HydrophobicContact CE-CB 4.25Å; M156-E160 HydrophobicContact CG-CB 4.18Å; M156-E160 HydrophobicContact SD-CB 4.48Å; S157-E160 VanDerWaalsContact CB-OE2 3.32Å; S157-E160 WeakPolarHBondContact CB-OE2 3.39Å; S157-E160 PolarHBondContact N-OE2 3.23Å; S157-E160 WeakPolarHBondContact OG-CB 3.49Å; S157-E160 VanDerWaalsContact OG-CD 3.22Å; S157-E160 WeakPolarHBondContact OG-CG 3.28Å; S157-E160 PolarHBondContact OG-N 3.1Å; S157-E160 PolarHBondContact OG-OE2 2.66Å; E160-T164 WeakPolarHBondContact O-CB 3.24Å; E160-T164 PolarHBondContact O-N 3.06Å; E160-T164 PolarHBondContact O-OG1 3.45Å
161	L	92.9	Very high	90.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-65.7	-40.1	174.7	-74	175.7	0	0	0	112.2	F153 M156 S157 E159 T164 L165 R181 V184 L185 L188	F153-L161 HydrophobicContact CB-CD2 3.87Å; F153-L161 HydrophobicContact CD1-CD2 4.39Å; F153-L161 HydrophobicContact CG-CD2 4.22Å; M156-L161 HydrophobicContact CB-CD2 4.02Å; M156-L161 HydrophobicContact CB-CG 3.94Å; M156-L161 HydrophobicContact SD-CD2 4.21Å; S157-L161 VanDerWaalsContact O-CG 3.29Å; S157-L161 WeakPolarHBondContact O-CG 3.48Å; S157-L161 PolarHBondContact O-N 3.28Å; S157-L161 VanDerWaalsContact O-N 3.13Å; E159-L161 VanDerWaalsContact C-N 3.31Å; E159-L161 PolarHBondContact O-N 2.94Å; L161-T164 PolarHBondContact O-N 3.37Å; L161-L165 WeakPolarHBondContact O-CB 3.43Å; L161-L165 PolarHBondContact O-N 2.87Å; L161-R181 HydrophobicContact CD1-CG 3.97Å; L161-V184 HydrophobicContact CB-CG1 3.86Å; L161-L185 HydrophobicContact CD1-CD1 4.47Å; L161-L185 HydrophobicContact CD1-CD2 3.58Å; L161-L185 HydrophobicContact CD1-CG 3.9Å; L161-L185 HydrophobicContact CD2-CD2 3.67Å; L161-L185 HydrophobicContact CG-CD2 4.28Å; L161-L188 HydrophobicContact CB-CD1 4.4Å; L161-L188 HydrophobicContact CD2-CD1 3.78Å
162	H	93.5	Very high	91.2	Very high	33 Å²	33	63.7 Å²	63.7	15%	0.153	33%	0.331	C	S	.	.	H	α-helix	trans	-68.8	-40.6	178.2	-172.1	-90	0	0	0	111.3	N158 E159 T164 L165 Q166 A173 L176 P178	N158-H162 WeakPolarHBondContact O-CB 3.41Å; N158-H162 PolarHBondContact O-N 3.4Å; E159-H162 PolarHBondContact O-N 2.75Å; H162-T164 VanDerWaalsContact C-N 3.34Å; H162-T164 PolarHBondContact O-N 3.08Å; H162-L165 CarbonylContact O-C 3.55Å; H162-L165 WeakPolarHBondContact O-CB 3.44Å; H162-L165 PolarHBondContact O-N 3.01Å; H162-L165 VanDerWaalsContact O-N 3.16Å; H162-Q166 WeakPolarHBondContact O-CB 3.4Å; H162-Q166 PolarHBondContact O-N 3.14Å; H162-A173 PolarHBondContact NE2-O 2.94Å; H162-L176 PolarHBondContact CD2-O 3.39Å; H162-L176 VanDerWaalsContact CD2-O 3.27Å; H162-L176 PolarHBondContact NE2-O 2.88Å; H162-P178 HydrophobicContact CB-CB 3.91Å; H162-P178 HydrophobicContact CB-CG 4.07Å
163	E	94.1	Very high	91.5	Very high	111 Å²	111	60.8 Å²	60.8	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-41.3	172.1	-73.1	-179.7	-171.2	0	0	112.1	E159 L165 Q166 K167	E159-E163 WeakPolarHBondContact O-CG 3.34Å; E159-E163 PolarHBondContact O-N 2.93Å; E163-L165 VanDerWaalsContact C-N 3.3Å; E163-L165 PolarHBondContact O-N 3.31Å; E163-Q166 WeakPolarHBondContact O-CB 3.32Å; E163-Q166 PolarHBondContact O-N 3.39Å; E163-K167 WeakPolarHBondContact O-CG 3.49Å; E163-K167 PolarHBondContact O-N 3.46Å
164	T	93.3	Very high	91.9	Very high	29 Å²	29	63.6 Å²	63.6	18%	0.178	34%	0.339	C	S	.	.	H	α-helix	trans	-61.5	-42.7	174.1	-56.9	0	0	0	0	110.4	F153 E160 L161 H162 K167 V168 L188	F153-T164 HydrophobicContact CE1-CG2 4.06Å; F153-T164 HydrophobicContact CZ-CG2 4.17Å; E160-T164 WeakPolarHBondContact O-CB 3.24Å; E160-T164 PolarHBondContact O-N 3.06Å; E160-T164 PolarHBondContact O-OG1 3.45Å; L161-T164 PolarHBondContact O-N 3.37Å; H162-T164 VanDerWaalsContact C-N 3.34Å; H162-T164 PolarHBondContact O-N 3.08Å; T164-K167 PolarHBondContact O-N 3.07Å; T164-V168 WeakPolarHBondContact O-CG2 3.34Å; T164-V168 PolarHBondContact O-N 3.13Å; T164-L188 HydrophobicContact CG2-CD1 4.45Å; T164-L188 HydrophobicContact CG2-CD2 3.84Å
165	L	93.2	Very high	92.2	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.1	-38.9	175.8	-176.9	65	0	0	0	111.6	L161 H162 E163 K167 V168 D169 R172 A173 L176 V184 L188	L161-L165 WeakPolarHBondContact O-CB 3.43Å; L161-L165 PolarHBondContact O-N 2.87Å; H162-L165 CarbonylContact O-C 3.55Å; H162-L165 WeakPolarHBondContact O-CB 3.44Å; H162-L165 PolarHBondContact O-N 3.01Å; H162-L165 VanDerWaalsContact O-N 3.16Å; E163-L165 VanDerWaalsContact C-N 3.3Å; E163-L165 PolarHBondContact O-N 3.31Å; L165-K167 VanDerWaalsContact C-N 3.28Å; L165-K167 PolarHBondContact O-N 2.91Å; L165-V168 PolarHBondContact O-N 3.32Å; L165-D169 HydrophobicContact CD1-CB 4.19Å; L165-D169 CarbonylContact O-C 3.54Å; L165-D169 VanDerWaalsContact O-C 3.29Å; L165-D169 WeakPolarHBondContact O-CA 3.42Å; L165-D169 PolarHBondContact O-N 3.3Å; L165-R172 HydrophobicContact CD2-CG 4.42Å; L165-A173 HydrophobicContact CB-CB 4.47Å; L165-A173 HydrophobicContact CD2-CB 4.25Å; L165-A173 HydrophobicContact CG-CB 4.03Å; L165-L176 HydrophobicContact CD2-CD1 3.99Å; L165-V184 HydrophobicContact CB-CG1 4.23Å; L165-V184 HydrophobicContact CD2-CG1 4.07Å; L165-V184 HydrophobicContact CD2-CG2 4.4Å; L165-L188 HydrophobicContact CB-CD2 3.98Å; L165-L188 HydrophobicContact CB-CG 4.26Å; L165-L188 HydrophobicContact CD1-CD2 4.05Å; L165-L188 HydrophobicContact CD1-CG 4.25Å
166	Q	95.1	Very high	92.4	Very high	87 Å²	87	60 Å²	60	41%	0.407	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-36.5	177.7	-174	67.6	45.3	0	0	111.9	H162 E163 P170 A173	H162-Q166 WeakPolarHBondContact O-CB 3.4Å; H162-Q166 PolarHBondContact O-N 3.14Å; E163-Q166 WeakPolarHBondContact O-CB 3.32Å; E163-Q166 PolarHBondContact O-N 3.39Å; Q166-P170 VanDerWaalsContact NE2-CB 3.31Å; Q166-A173 HydrophobicContact CB-CB 4Å
167	K	93.9	Very high	92.5	Very high	173 Å²	173	63.2 Å²	63.2	75%	0.752	33%	0.33	S	S	*	.	H	α-helix	trans	-70.4	-37.3	176.1	-70	171.1	-175.1	171.5	0	112.6	E163 T164 L165	E163-K167 WeakPolarHBondContact O-CG 3.49Å; E163-K167 PolarHBondContact O-N 3.46Å; T164-K167 PolarHBondContact O-N 3.07Å; L165-K167 VanDerWaalsContact C-N 3.28Å; L165-K167 PolarHBondContact O-N 2.91Å
168	V	92.3	Very high	92.4	Very high	63 Å²	63	62.7 Å²	62.7	38%	0.382	33%	0.326	S	S	.	.	H	α-helix	trans	-86.5	-44	-176	176.3	0	0	0	0	112.2	T164 L165	T164-V168 WeakPolarHBondContact O-CG2 3.34Å; T164-V168 PolarHBondContact O-N 3.13Å; L165-V168 PolarHBondContact O-N 3.32Å
169	D	92.8	Very high	92.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.342	C	S	.	.			trans	-145.7	81.5	-173.9	-171.2	-10.9	0	0	0	110.7	L165 E171 R172 A173 K197 H198 S199	L165-D169 HydrophobicContact CD1-CB 4.19Å; L165-D169 CarbonylContact O-C 3.54Å; L165-D169 VanDerWaalsContact O-C 3.29Å; L165-D169 WeakPolarHBondContact O-CA 3.42Å; L165-D169 PolarHBondContact O-N 3.3Å; D169-E171 VanDerWaalsContact C-N 3.28Å; D169-E171 PolarHBondContact O-N 3.1Å; D169-R172 HydrophobicContact CB-CB 4.06Å; D169-R172 PolarHBondContact O-N 3Å; D169-R172 WeakPolarHBondContact OD1-CB 3.39Å; D169-R172 PolarHBondContact OD1-N 3.49Å; D169-R172 VanDerWaalsContact OD1-N 3.09Å; D169-R172 VanDerWaalsContact OD2-CB 3.24Å; D169-R172 WeakPolarHBondContact OD2-CB 3.38Å; D169-A173 PolarHBondContact O-N 2.71Å; D169-K197 HydrophobicContact CB-CB 4.31Å; D169-K197 HydrophobicContact CB-CG 4.44Å; D169-H198 WeakPolarHBondContact OD2-CA 3.4Å; D169-H198 PolarHBondContact OD2-N 2.88Å; D169-S199 VanDerWaalsContact OD1-CB 3.3Å; D169-S199 WeakPolarHBondContact OD1-CB 3.3Å; D169-S199 PolarHBondContact OD1-OG 2.65Å; D169-S199 PolarHBondContact OD2-N 2.98Å; D169-S199 PolarHBondContact OD2-OG 3.11Å; D169-S199 VanDerWaalsContact OD2-OG 3.11Å
170	P	93.3	Very high	92.1	Very high	58 Å²	58	63.6 Å²	63.6	38%	0.377	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-32.5	-176	24.4	-34.3	0	0	0	112.9	Q166 A173 A174	Q166-P170 VanDerWaalsContact NE2-CB 3.31Å; P170-A173 PolarHBondContact O-N 3Å; P170-A174 PolarHBondContact O-N 2.84Å
171	E	93	Very high	91.9	Very high	127 Å²	127	62.6 Å²	62.6	59%	0.593	33%	0.326	S	S	*	.	H	α-helix	trans	-63.6	-44	176.5	-68.1	-179.4	-142.5	0	0	110.7	D169	D169-E171 VanDerWaalsContact C-N 3.28Å; D169-E171 PolarHBondContact O-N 3.1Å
172	R	90.2	Very high	91.4	Very high	50 Å²	50	69.7 Å²	69.7	19%	0.189	35%	0.353	C	S	.	.	H	α-helix	trans	-71.2	-38.6	178.5	-169.9	57.1	175.8	168.2	-5.9	112.4	L165 D169 A174 V175 L176	L165-R172 HydrophobicContact CD2-CG 4.42Å; D169-R172 HydrophobicContact CB-CB 4.06Å; D169-R172 PolarHBondContact O-N 3Å; D169-R172 WeakPolarHBondContact OD1-CB 3.39Å; D169-R172 PolarHBondContact OD1-N 3.49Å; D169-R172 VanDerWaalsContact OD1-N 3.09Å; D169-R172 VanDerWaalsContact OD2-CB 3.24Å; D169-R172 WeakPolarHBondContact OD2-CB 3.38Å; R172-A174 VanDerWaalsContact C-N 3.31Å; R172-A174 PolarHBondContact O-N 2.84Å; R172-V175 PolarHBondContact O-N 2.57Å; R172-L176 HydrophobicContact CG-CD1 3.95Å; R172-L176 HydrophobicContact CG-CG 4.38Å; R172-L176 PolarHBondContact O-N 3.29Å; R172-L176 VanDerWaalsContact O-N 3.1Å
173	A	92.8	Very high	91	Very high	2 Å²	2	74.5 Å²	74.5	2%	0.017	37%	0.37	C	S	.	.	H	α-helix	trans	-61.4	-37.1	176.4	0	0	0	0	0	112.5	H162 L165 Q166 D169 P170 V175 L176	H162-A173 PolarHBondContact NE2-O 2.94Å; L165-A173 HydrophobicContact CB-CB 4.47Å; L165-A173 HydrophobicContact CD2-CB 4.25Å; L165-A173 HydrophobicContact CG-CB 4.03Å; Q166-A173 HydrophobicContact CB-CB 4Å; D169-A173 PolarHBondContact O-N 2.71Å; P170-A173 PolarHBondContact O-N 3Å; A173-V175 VanDerWaalsContact C-N 3.25Å; A173-V175 PolarHBondContact O-N 2.76Å; A173-L176 PolarHBondContact O-N 3.28Å; A173-L176 VanDerWaalsContact O-O 3.08Å
174	A	93.2	Very high	90.8	Very high	87 Å²	87	69.2 Å²	69.2	72%	0.719	35%	0.345	S	S	*	.	H	α-helix	trans	-62.9	-29.6	175.9	0	0	0	0	0	113.5	P170 R172	P170-A174 PolarHBondContact O-N 2.84Å; R172-A174 VanDerWaalsContact C-N 3.31Å; R172-A174 PolarHBondContact O-N 2.84Å
175	V	90.3	Very high	90.6	Very high	105 Å²	105	68 Å²	68	64%	0.636	34%	0.338	S	S	*	.	H	α-helix	trans	-87.9	-31.3	-179.9	178.5	0	0	0	0	112.4	R172 A173	R172-V175 PolarHBondContact O-N 2.57Å; A173-V175 VanDerWaalsContact C-N 3.25Å; A173-V175 PolarHBondContact O-N 2.76Å
176	L	89.4	Confident	90.2	Very high	6 Å²	6	69.9 Å²	69.9	3%	0.031	35%	0.345	C	S	.	.	S	Bend	trans	-94.9	117.6	-175.5	-65.7	-176.1	0	0	0	111.5	H162 L165 R172 A173 R183 V184 S187	H162-L176 PolarHBondContact CD2-O 3.39Å; H162-L176 VanDerWaalsContact CD2-O 3.27Å; H162-L176 PolarHBondContact NE2-O 2.88Å; L165-L176 HydrophobicContact CD2-CD1 3.99Å; R172-L176 HydrophobicContact CG-CD1 3.95Å; R172-L176 HydrophobicContact CG-CG 4.38Å; R172-L176 PolarHBondContact O-N 3.29Å; R172-L176 VanDerWaalsContact O-N 3.1Å; A173-L176 PolarHBondContact O-N 3.28Å; A173-L176 VanDerWaalsContact O-O 3.08Å; L176-R183 HydrophobicContact CD1-CB 4.1Å; L176-R183 HydrophobicContact CD2-CB 3.94Å; L176-V184 HydrophobicContact CB-CG2 4.26Å; L176-V184 HydrophobicContact CD1-CG2 4.4Å; L176-S187 WeakPolarHBondContact CD1-OG 3.33Å
177	H	89.7	Confident	89.8	Confident	118 Å²	118	65.8 Å²	65.8	55%	0.546	33%	0.326	S	S	.	.			trans	-62.4	138.2	170.3	-171	-68.5	0	0	0	110.9	N179 N180	H177-N179 VanDerWaalsContact C-N 3.34Å; H177-N179 PolarHBondContact CE1-ND2 3.08Å; H177-N179 VanDerWaalsContact CE1-ND2 3.31Å; H177-N179 WeakPolarHBondContact ND1-CB 3.47Å; H177-N179 PolarHBondContact ND1-N 3.34Å; H177-N179 PolarHBondContact O-N 2.8Å; H177-N180 VanDerWaalsContact O-CB 3.27Å; H177-N180 WeakPolarHBondContact O-CB 3.43Å; H177-N180 PolarHBondContact O-N 3.33Å
178	P	90.2	Very high	89.6	Confident	35 Å²	35	57.8 Å²	57.8	23%	0.227	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-46.1	-179.3	-27.8	30.7	0	0	0	114.4	H162 N180	H162-P178 HydrophobicContact CB-CB 3.91Å; H162-P178 HydrophobicContact CB-CG 4.07Å; P178-N180 PolarHBondContact O-N 3.34Å
179	N	89.8	Confident	89.3	Confident	106 Å²	106	55 Å²	55	57%	0.567	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-9.9	175.2	-64.7	-18.7	0	0	0	115.7	H177 R181	H177-N179 VanDerWaalsContact C-N 3.34Å; H177-N179 PolarHBondContact CE1-ND2 3.08Å; H177-N179 VanDerWaalsContact CE1-ND2 3.31Å; H177-N179 WeakPolarHBondContact ND1-CB 3.47Å; H177-N179 PolarHBondContact ND1-N 3.34Å; H177-N179 PolarHBondContact O-N 2.8Å; N179-R181 PolarHBondContact O-N 2.88Å
180	N	88	Confident	88.9	Confident	57 Å²	57	55.1 Å²	55.1	31%	0.305	28%	0.275	S	S	.	.			trans	-84.3	53.2	172.6	-156	-22.6	0	0	0	110.9	H177 P178 R182 R183 V184	H177-N180 VanDerWaalsContact O-CB 3.27Å; H177-N180 WeakPolarHBondContact O-CB 3.43Å; H177-N180 PolarHBondContact O-N 3.33Å; P178-N180 PolarHBondContact O-N 3.34Å; N180-R182 PolarHBondContact O-N 3.19Å; N180-R183 WeakPolarHBondContact ND2-CD 3.09Å; N180-R183 PolarHBondContact O-N 2.92Å; N180-R183 WeakPolarHBondContact OD1-CG 3.32Å; N180-V184 PolarHBondContact O-N 3.11Å
181	R	88.6	Confident	88.6	Confident	67 Å²	67	52.9 Å²	52.9	25%	0.253	26%	0.26	S	S	.	.	H	α-helix	trans	-44.8	-46.6	-173.3	-173.6	-176	-179.4	76.5	1.3	112	F153 L154 M156 N158 L161 N179 R183 V184 L185	F153-R181 PolarHBondContact O-NH2 3.09Å; L154-R181 PolarHBondContact O-NH2 2.72Å; M156-R181 VanDerWaalsContact O-CZ 3.29Å; M156-R181 PolarHBondContact O-NH1 2.91Å; M156-R181 PolarHBondContact O-NH2 3.27Å; N158-R181 WeakPolarHBondContact OD1-CB 3.35Å; N158-R181 WeakPolarHBondContact OD1-CD 3.35Å; N158-R181 WeakPolarHBondContact OD1-CG 3.42Å; N158-R181 PolarHBondContact OD1-NH1 2.86Å; L161-R181 HydrophobicContact CD1-CG 3.97Å; N179-R181 PolarHBondContact O-N 2.88Å; R181-R183 PolarHBondContact O-N 2.98Å; R181-V184 PolarHBondContact O-N 3.39Å; R181-L185 HydrophobicContact CG-CD1 3.75Å; R181-L185 HydrophobicContact CG-CG 4.24Å; R181-L185 WeakPolarHBondContact O-CB 3.41Å; R181-L185 VanDerWaalsContact O-CG 3.27Å; R181-L185 WeakPolarHBondContact O-CG 3.3Å; R181-L185 PolarHBondContact O-N 3.41Å
182	R	83.8	Confident	88.2	Confident	149 Å²	149	52.3 Å²	52.3	56%	0.562	25%	0.253	S	S	*	.	H	α-helix	trans	-55.3	-53.6	178.7	-173.3	166.5	-178.7	179.3	1	111.5	Y145 N180 V184 L185 R186	Y145-R182 HydrophobicContact CE1-CG 3.68Å; Y145-R182 HydrophobicContact CE2-CG 4.19Å; Y145-R182 VanDerWaalsContact CZ-CG 3.41Å; Y145-R182 WeakPolarHBondContact OH-CG 3.45Å; Y145-R182 PolarHBondContact OH-O 3.07Å; N180-R182 PolarHBondContact O-N 3.19Å; R182-V184 PolarHBondContact O-N 3.04Å; R182-L185 PolarHBondContact O-N 3.02Å; R182-R186 PolarHBondContact O-N 3.13Å
183	R	85	Confident	87.9	Confident	134 Å²	134	52.3 Å²	52.3	51%	0.506	26%	0.259	S	S	.	.	H	α-helix	trans	-68.9	-32.7	-179	-69	-169.1	-174.5	-177.1	-7.2	113.3	L176 N180 R181 S187	L176-R183 HydrophobicContact CD1-CB 4.1Å; L176-R183 HydrophobicContact CD2-CB 3.94Å; N180-R183 WeakPolarHBondContact ND2-CD 3.09Å; N180-R183 PolarHBondContact O-N 2.92Å; N180-R183 WeakPolarHBondContact OD1-CG 3.32Å; R181-R183 PolarHBondContact O-N 2.98Å; R183-S187 PolarHBondContact O-N 3.18Å; R183-S187 PolarHBondContact O-OG 2.77Å
184	V	89.4	Confident	87.3	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-52.2	174.4	175.2	0	0	0	0	109.5	L161 L165 L176 N180 R181 R182 R186 S187 L188	L161-V184 HydrophobicContact CB-CG1 3.86Å; L165-V184 HydrophobicContact CB-CG1 4.23Å; L165-V184 HydrophobicContact CD2-CG1 4.07Å; L165-V184 HydrophobicContact CD2-CG2 4.4Å; L176-V184 HydrophobicContact CB-CG2 4.26Å; L176-V184 HydrophobicContact CD1-CG2 4.4Å; N180-V184 PolarHBondContact O-N 3.11Å; R181-V184 PolarHBondContact O-N 3.39Å; R182-V184 PolarHBondContact O-N 3.04Å; V184-R186 VanDerWaalsContact C-N 3.32Å; V184-R186 PolarHBondContact O-N 3.25Å; V184-S187 PolarHBondContact O-N 3.36Å; V184-L188 HydrophobicContact CG1-CD1 4.19Å; V184-L188 PolarHBondContact O-N 3.03Å
185	L	88.7	Confident	86.8	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-56.9	-42	177.2	-71.5	169.2	0	0	0	112.5	Y146 L149 F153 L161 R181 R182 S187 L188 Q189	Y146-L185 HydrophobicContact CE1-CD1 3.97Å; L149-L185 HydrophobicContact CD2-CB 4.47Å; L149-L185 HydrophobicContact CD2-CD2 3.66Å; F153-L185 HydrophobicContact CB-CD2 4.06Å; L161-L185 HydrophobicContact CD1-CD1 4.47Å; L161-L185 HydrophobicContact CD1-CD2 3.58Å; L161-L185 HydrophobicContact CD1-CG 3.9Å; L161-L185 HydrophobicContact CD2-CD2 3.67Å; L161-L185 HydrophobicContact CG-CD2 4.28Å; R181-L185 HydrophobicContact CG-CD1 3.75Å; R181-L185 HydrophobicContact CG-CG 4.24Å; R181-L185 WeakPolarHBondContact O-CB 3.41Å; R181-L185 VanDerWaalsContact O-CG 3.27Å; R181-L185 WeakPolarHBondContact O-CG 3.3Å; R181-L185 PolarHBondContact O-N 3.41Å; R182-L185 PolarHBondContact O-N 3.02Å; L185-S187 VanDerWaalsContact C-N 3.35Å; L185-S187 PolarHBondContact O-N 3.16Å; L185-L188 PolarHBondContact O-N 3.33Å; L185-Q189 VanDerWaalsContact O-CB 3.31Å; L185-Q189 WeakPolarHBondContact O-CB 3.36Å; L185-Q189 PolarHBondContact O-N 3.32Å
186	R	84.5	Confident	86.6	Confident	40 Å²	40	55.4 Å²	55.4	15%	0.151	25%	0.252	C	S	.	.	H	α-helix	trans	-66.4	-36.2	176	176.4	61.2	175.5	165.5	3.8	112.8	L137 Y145 R182 V184 Q189 I190	L137-R186 PolarHBondContact O-NH2 3.15Å; Y145-R186 HydrophobicContact CE1-CB 4.47Å; Y145-R186 HydrophobicContact CE2-CB 4.26Å; Y145-R186 WeakPolarHBondContact OH-CB 3.4Å; R182-R186 PolarHBondContact O-N 3.13Å; V184-R186 VanDerWaalsContact C-N 3.32Å; V184-R186 PolarHBondContact O-N 3.25Å; R186-Q189 WeakPolarHBondContact O-CB 3.42Å; R186-Q189 PolarHBondContact O-N 3.29Å; R186-I190 HydrophobicContact CG-CD1 3.9Å; R186-I190 WeakPolarHBondContact O-CB 3.38Å; R186-I190 WeakPolarHBondContact O-CD1 3.46Å; R186-I190 VanDerWaalsContact O-CG1 3.26Å; R186-I190 WeakPolarHBondContact O-CG1 3.48Å; R186-I190 PolarHBondContact O-N 3.4Å
187	S	87.3	Confident	86.5	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.007	27%	0.266	C	S	.	.	H	α-helix	trans	-67	-43	176.8	-56	0	0	0	0	110.9	L176 R183 V184 L185 I190 S191 H198	L176-S187 WeakPolarHBondContact CD1-OG 3.33Å; R183-S187 PolarHBondContact O-N 3.18Å; R183-S187 PolarHBondContact O-OG 2.77Å; V184-S187 PolarHBondContact O-N 3.36Å; L185-S187 VanDerWaalsContact C-N 3.35Å; L185-S187 PolarHBondContact O-N 3.16Å; S187-I190 PolarHBondContact O-N 2.81Å; S187-S191 PolarHBondContact O-N 3.37Å; S187-S191 PolarHBondContact O-OG 3.37Å; S187-H198 WeakPolarHBondContact CA-ND1 3.43Å; S187-H198 VanDerWaalsContact CB-ND1 3.35Å; S187-H198 WeakPolarHBondContact CB-ND1 3.46Å; S187-H198 PolarHBondContact OG-ND1 3.48Å
188	L	89.3	Confident	86.3	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-43.5	172.4	-71.3	173.1	0	0	0	112.4	F153 L161 T164 L165 V184 L185 I190 S191 Y192	F153-L188 HydrophobicContact CD2-CB 4.4Å; F153-L188 HydrophobicContact CD2-CD1 4.48Å; F153-L188 HydrophobicContact CE2-CB 4.16Å; L161-L188 HydrophobicContact CB-CD1 4.4Å; L161-L188 HydrophobicContact CD2-CD1 3.78Å; T164-L188 HydrophobicContact CG2-CD1 4.45Å; T164-L188 HydrophobicContact CG2-CD2 3.84Å; L165-L188 HydrophobicContact CB-CD2 3.98Å; L165-L188 HydrophobicContact CB-CG 4.26Å; L165-L188 HydrophobicContact CD1-CD2 4.05Å; L165-L188 HydrophobicContact CD1-CG 4.25Å; V184-L188 HydrophobicContact CG1-CD1 4.19Å; V184-L188 PolarHBondContact O-N 3.03Å; L185-L188 PolarHBondContact O-N 3.33Å; L188-I190 VanDerWaalsContact C-N 3.34Å; L188-I190 PolarHBondContact O-N 2.83Å; L188-S191 PolarHBondContact O-N 3Å; L188-Y192 VanDerWaalsContact O-CB 3.25Å; L188-Y192 WeakPolarHBondContact O-CB 3.44Å; L188-Y192 PolarHBondContact O-N 3.35Å
189	Q	86.4	Confident	86.1	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.014	24%	0.238	C	C	.	.	H	α-helix	trans	-57.6	-48.3	176.2	-168.8	-173.5	28	0	0	111.2	Y145 F147 L149 L185 R186 Y192 V193	Y145-Q189 PolarHBondContact O-NE2 3.44Å; Y145-Q189 PolarHBondContact O-OE1 3.43Å; F147-Q189 PolarHBondContact O-NE2 2.85Å; L149-Q189 HydrophobicContact CD1-CB 3.65Å; L149-Q189 HydrophobicContact CD1-CG 4.09Å; L185-Q189 VanDerWaalsContact O-CB 3.31Å; L185-Q189 WeakPolarHBondContact O-CB 3.36Å; L185-Q189 PolarHBondContact O-N 3.32Å; R186-Q189 WeakPolarHBondContact O-CB 3.42Å; R186-Q189 PolarHBondContact O-N 3.29Å; Q189-Y192 PolarHBondContact O-N 2.98Å; Q189-V193 HydrophobicContact CG-CG2 4.39Å; Q189-V193 WeakPolarHBondContact O-CB 3.33Å; Q189-V193 VanDerWaalsContact O-CG2 3.28Å; Q189-V193 WeakPolarHBondContact O-CG2 3.39Å; Q189-V193 PolarHBondContact O-N 2.81Å
190	I	83.8	Confident	86	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-58.9	-50.1	178.6	-77.2	165.2	0	0	0	109.9	L137 R186 S187 L188 Y192 V193 H194 H198 L201	L137-I190 HydrophobicContact CD1-CB 4.07Å; L137-I190 HydrophobicContact CD1-CD1 3.68Å; L137-I190 HydrophobicContact CD1-CG1 3.61Å; L137-I190 HydrophobicContact CD1-CG2 3.36Å; R186-I190 HydrophobicContact CG-CD1 3.9Å; R186-I190 WeakPolarHBondContact O-CB 3.38Å; R186-I190 WeakPolarHBondContact O-CD1 3.46Å; R186-I190 VanDerWaalsContact O-CG1 3.26Å; R186-I190 WeakPolarHBondContact O-CG1 3.48Å; R186-I190 PolarHBondContact O-N 3.4Å; S187-I190 PolarHBondContact O-N 2.81Å; L188-I190 VanDerWaalsContact C-N 3.34Å; L188-I190 PolarHBondContact O-N 2.83Å; I190-Y192 VanDerWaalsContact C-N 3.28Å; I190-Y192 PolarHBondContact O-N 2.96Å; I190-V193 PolarHBondContact O-N 2.87Å; I190-H194 WeakPolarHBondContact O-CB 3.33Å; I190-H194 PolarHBondContact O-CD2 3.37Å; I190-H194 PolarHBondContact O-N 3.4Å; I190-H198 HydrophobicContact CB-CB 4.47Å; I190-H198 VanDerWaalsContact CD1-CE1 3.45Å; I190-H198 WeakPolarHBondContact CD1-CE1 3.39Å; I190-H198 WeakPolarHBondContact CD1-NE2 3.42Å; I190-H198 HydrophobicContact CG2-CB 3.89Å; I190-L201 HydrophobicContact CG2-CD1 3.67Å
191	S	86.4	Confident	85.7	Confident	10 Å²	10	48.9 Å²	48.9	7%	0.07	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-34.6	179.6	-66.2	0	0	0	0	113.2	S187 L188 K195 C196 H198	S187-S191 PolarHBondContact O-N 3.37Å; S187-S191 PolarHBondContact O-OG 3.37Å; L188-S191 PolarHBondContact O-N 3Å; S191-K195 WeakPolarHBondContact O-CA 3.43Å; S191-K195 PolarHBondContact O-N 3.49Å; S191-K195 VanDerWaalsContact O-N 3.09Å; S191-C196 WeakPolarHBondContact CA-O 3.45Å; S191-C196 WeakPolarHBondContact CB-O 3.44Å; S191-C196 PolarHBondContact OG-O 3.18Å; S191-C196 VanDerWaalsContact OG-O 3.1Å; S191-H198 PolarHBondContact OG-N 3.3Å
192	Y	86.2	Confident	85.3	Confident	115 Å²	115	47.1 Å²	47.1	45%	0.451	21%	0.21	S	C	.	.	H	α-helix	trans	-70.1	-42.1	177.7	-174.9	-98.7	0	0	0	113	N148 P150 L188 Q189 I190 K195	N148-Y192 WeakPolarHBondContact O-CD1 3.47Å; P150-Y192 HydrophobicContact CG-CD1 4.37Å; P150-Y192 HydrophobicContact CG-CD2 4.1Å; P150-Y192 HydrophobicContact CG-CE1 4.18Å; P150-Y192 HydrophobicContact CG-CE2 3.9Å; P150-Y192 HydrophobicContact CG-CG 4.33Å; L188-Y192 VanDerWaalsContact O-CB 3.25Å; L188-Y192 WeakPolarHBondContact O-CB 3.44Å; L188-Y192 PolarHBondContact O-N 3.35Å; Q189-Y192 PolarHBondContact O-N 2.98Å; I190-Y192 VanDerWaalsContact C-N 3.28Å; I190-Y192 PolarHBondContact O-N 2.96Å; Y192-K195 WeakPolarHBondContact O-CD 3.18Å; Y192-K195 VanDerWaalsContact O-CE 3.31Å; Y192-K195 WeakPolarHBondContact O-CE 3.39Å; Y192-K195 PolarHBondContact O-NZ 3.38Å
193	V	83	Confident	85.2	Confident	51 Å²	51	46.3 Å²	46.3	31%	0.309	21%	0.207	S	C	.	.	H	α-helix	trans	-77.3	-48	-177.3	172.1	0	0	0	0	111.4	N148 Q189 I190	N148-V193 HydrophobicContact CB-CG2 3.85Å; Q189-V193 HydrophobicContact CG-CG2 4.39Å; Q189-V193 WeakPolarHBondContact O-CB 3.33Å; Q189-V193 VanDerWaalsContact O-CG2 3.28Å; Q189-V193 WeakPolarHBondContact O-CG2 3.39Å; Q189-V193 PolarHBondContact O-N 2.81Å; I190-V193 PolarHBondContact O-N 2.87Å
194	H	80.1	Confident	84.9	Confident	65 Å²	65	44.8 Å²	44.8	30%	0.301	21%	0.206	S	C	.	.	H	α-helix	trans	-88.3	-8	-174.9	-63.1	-76.7	0	0	0	113.8	L137 I190 C196 L201	L137-H194 WeakPolarHBondContact CB-NE2 3.32Å; I190-H194 WeakPolarHBondContact O-CB 3.33Å; I190-H194 PolarHBondContact O-CD2 3.37Å; I190-H194 PolarHBondContact O-N 3.4Å; H194-C196 PolarHBondContact O-N 3.13Å; H194-L201 HydrophobicContact CB-CD1 4.26Å
195	K	83.3	Confident	84.1	Confident	154 Å²	154	45.3 Å²	45.3	67%	0.67	21%	0.208	S	C	*	.	S	Bend	trans	57.6	24.9	-179	-53.3	-58.9	-175.8	-161.2	0	114.2	S191 Y192	S191-K195 WeakPolarHBondContact O-CA 3.43Å; S191-K195 PolarHBondContact O-N 3.49Å; S191-K195 VanDerWaalsContact O-N 3.09Å; Y192-K195 WeakPolarHBondContact O-CD 3.18Å; Y192-K195 VanDerWaalsContact O-CE 3.31Å; Y192-K195 WeakPolarHBondContact O-CE 3.39Å; Y192-K195 PolarHBondContact O-NZ 3.38Å
196	C	84.8	Confident	83.3	Confident	39 Å²	39	51.4 Å²	51.4	26%	0.264	23%	0.231	S	C	.	.	S	Bend	trans	-135.6	169.5	175.1	60.2	0	0	0	0	110.9	S191 H194 L201	S191-C196 WeakPolarHBondContact CA-O 3.45Å; S191-C196 WeakPolarHBondContact CB-O 3.44Å; S191-C196 PolarHBondContact OG-O 3.18Å; S191-C196 VanDerWaalsContact OG-O 3.1Å; H194-C196 PolarHBondContact O-N 3.13Å; C196-L201 WeakPolarHBondContact SG-CD1 3.36Å; C196-L201 VanDerWaalsContact SG-CG 3.54Å
197	K	88.1	Confident	82.8	Confident	72 Å²	72	55.9 Å²	55.9	31%	0.313	25%	0.254	S	S	.	.			trans	-73.3	145.1	178.9	-60.1	-177.8	-167.4	139.2	0	110.4	D169 S199 E200 L201	D169-K197 HydrophobicContact CB-CB 4.31Å; D169-K197 HydrophobicContact CB-CG 4.44Å; K197-S199 VanDerWaalsContact C-N 3.26Å; K197-S199 WeakPolarHBondContact CB-OG 3.43Å; K197-S199 PolarHBondContact O-N 3.07Å; K197-E200 HydrophobicContact CB-CB 4.19Å; K197-E200 HydrophobicContact CB-CG 3.88Å; K197-E200 HydrophobicContact CD-CG 4.44Å; K197-E200 WeakPolarHBondContact CD-OE1 3.5Å; K197-E200 HydrophobicContact CG-CG 4.46Å; K197-E200 PolarHBondContact N-OE2 3.18Å; K197-E200 IonicContact NZ-OE1 3.23Å; K197-E200 PolarHBondContact NZ-OE1 3.34Å; K197-E200 PolarHBondContact O-N 3.15Å; K197-L201 PolarHBondContact O-N 2.98Å
198	H	85.6	Confident	82.1	Confident	19 Å²	19	61 Å²	61	9%	0.088	28%	0.276	C	S	.	.	H	α-helix	trans	-65.8	-35.4	174.8	-174.4	-171.3	0	0	0	110.7	D169 S187 I190 S191 E200 L201 L202	D169-H198 WeakPolarHBondContact OD2-CA 3.4Å; D169-H198 PolarHBondContact OD2-N 2.88Å; S187-H198 WeakPolarHBondContact CA-ND1 3.43Å; S187-H198 VanDerWaalsContact CB-ND1 3.35Å; S187-H198 WeakPolarHBondContact CB-ND1 3.46Å; S187-H198 PolarHBondContact OG-ND1 3.48Å; I190-H198 HydrophobicContact CB-CB 4.47Å; I190-H198 VanDerWaalsContact CD1-CE1 3.45Å; I190-H198 WeakPolarHBondContact CD1-CE1 3.39Å; I190-H198 WeakPolarHBondContact CD1-NE2 3.42Å; I190-H198 HydrophobicContact CG2-CB 3.89Å; S191-H198 PolarHBondContact OG-N 3.3Å; H198-E200 VanDerWaalsContact C-N 3.35Å; H198-E200 PolarHBondContact O-N 3.02Å; H198-L201 PolarHBondContact O-N 3.27Å; H198-L202 WeakPolarHBondContact O-CG 3.49Å; H198-L202 PolarHBondContact O-N 3.22Å
199	S	87.1	Confident	81	Confident	13 Å²	13	65.2 Å²	65.2	9%	0.091	31%	0.311	C	S	.	.	H	α-helix	trans	-57.9	-41.7	172.2	49.8	0	0	0	0	113.1	D169 K197 L202 R203	D169-S199 VanDerWaalsContact OD1-CB 3.3Å; D169-S199 WeakPolarHBondContact OD1-CB 3.3Å; D169-S199 PolarHBondContact OD1-OG 2.65Å; D169-S199 PolarHBondContact OD2-N 2.98Å; D169-S199 PolarHBondContact OD2-OG 3.11Å; D169-S199 VanDerWaalsContact OD2-OG 3.11Å; K197-S199 VanDerWaalsContact C-N 3.26Å; K197-S199 WeakPolarHBondContact CB-OG 3.43Å; K197-S199 PolarHBondContact O-N 3.07Å; S199-L202 PolarHBondContact O-N 2.91Å; S199-R203 PolarHBondContact O-N 3.06Å
200	E	86.7	Confident	80	Confident	61 Å²	61	66.1 Å²	66.1	29%	0.285	32%	0.322	S	S	.	.	H	α-helix	trans	-62.3	-47.5	177.5	-72.5	161.5	-175.2	0	0	111.4	K197 H198 L202 R203 E204	K197-E200 HydrophobicContact CB-CB 4.19Å; K197-E200 HydrophobicContact CB-CG 3.88Å; K197-E200 HydrophobicContact CD-CG 4.44Å; K197-E200 WeakPolarHBondContact CD-OE1 3.5Å; K197-E200 HydrophobicContact CG-CG 4.46Å; K197-E200 PolarHBondContact N-OE2 3.18Å; K197-E200 IonicContact NZ-OE1 3.23Å; K197-E200 PolarHBondContact NZ-OE1 3.34Å; K197-E200 PolarHBondContact O-N 3.15Å; H198-E200 VanDerWaalsContact C-N 3.35Å; H198-E200 PolarHBondContact O-N 3.02Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 PolarHBondContact O-N 2.94Å; E200-R203 WeakPolarHBondContact O-CB 3.43Å; E200-R203 PolarHBondContact O-N 2.81Å; E200-R203 VanDerWaalsContact O-N 3.1Å; E200-E204 PolarHBondContact O-N 3.42Å
201	L	80.8	Confident	79.2	Confident	20 Å²	20	66.6 Å²	66.6	11%	0.105	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-37.2	176.9	-67.4	170	0	0	0	112.9	L137 I190 H194 C196 K197 H198 R203 Q205	L137-L201 HydrophobicContact CD1-CD1 3.45Å; L137-L201 VanDerWaalsContact CD1-CD1 3.45Å; L137-L201 HydrophobicContact CD2-CD1 3.65Å; L137-L201 HydrophobicContact CD2-CD2 4.14Å; L137-L201 HydrophobicContact CD2-CG 4.39Å; L137-L201 HydrophobicContact CG-CD1 4.13Å; I190-L201 HydrophobicContact CG2-CD1 3.67Å; H194-L201 HydrophobicContact CB-CD1 4.26Å; C196-L201 WeakPolarHBondContact SG-CD1 3.36Å; C196-L201 VanDerWaalsContact SG-CG 3.54Å; K197-L201 PolarHBondContact O-N 2.98Å; H198-L201 PolarHBondContact O-N 3.27Å; L201-R203 VanDerWaalsContact C-N 3.34Å; L201-Q205 PolarHBondContact O-N 3.49Å
202	L	80.4	Confident	78.3	Confident	31 Å²	31	66.4 Å²	66.4	16%	0.162	32%	0.324	C	S	.	.	H	α-helix	trans	-67.1	-37.4	174.3	-71	172.6	0	0	0	111.4	H198 S199 E200 Q205 W206	H198-L202 WeakPolarHBondContact O-CG 3.49Å; H198-L202 PolarHBondContact O-N 3.22Å; S199-L202 PolarHBondContact O-N 2.91Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 PolarHBondContact O-N 2.94Å; L202-Q205 VanDerWaalsContact O-CB 3.32Å; L202-Q205 WeakPolarHBondContact O-CB 3.45Å; L202-Q205 PolarHBondContact O-N 3.33Å; L202-W206 HydrophobicContact CB-CZ2 4.36Å; L202-W206 VanDerWaalsContact O-CD1 3.29Å; L202-W206 PolarHBondContact O-N 3.26Å
203	R	81.6	Confident	77.3	Confident	132 Å²	132	64.3 Å²	64.3	50%	0.498	33%	0.331	S	S	.	.	H	α-helix	trans	-65.7	-46.3	176.3	-172.2	-179.2	65.1	-174.2	-1.7	111.3	S199 E200 L201 Q205 W206 E207	S199-R203 PolarHBondContact O-N 3.06Å; E200-R203 WeakPolarHBondContact O-CB 3.43Å; E200-R203 PolarHBondContact O-N 2.81Å; E200-R203 VanDerWaalsContact O-N 3.1Å; L201-R203 VanDerWaalsContact C-N 3.34Å; R203-Q205 PolarHBondContact O-N 3.44Å; R203-W206 WeakPolarHBondContact O-CB 3.32Å; R203-W206 PolarHBondContact O-N 3.06Å; R203-E207 HydrophobicContact CG-CG 4.4Å; R203-E207 WeakPolarHBondContact CG-OE1 3.39Å; R203-E207 IonicContact NE-OE1 2.84Å; R203-E207 WeakPolarHBondContact O-CG 3.35Å; R203-E207 PolarHBondContact O-N 3.37Å
204	E	79	Confident	76.5	Confident	101 Å²	101	63.8 Å²	63.8	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-55.8	-39.5	173	-72.2	175.9	-172	0	0	111.5	E200 E207 K208	E200-E204 PolarHBondContact O-N 3.42Å; E204-E207 PolarHBondContact O-N 2.86Å; E204-K208 WeakPolarHBondContact O-CG 3.37Å; E204-K208 PolarHBondContact O-N 3.25Å
205	Q	73.1	Confident	76	Confident	13 Å²	13	60.8 Å²	60.8	6%	0.061	31%	0.312	C	S	.	.	H	α-helix	trans	-61.6	-44.3	174.5	-168.5	-179	2.3	0	0	112.1	N134 L135 L201 L202 R203 E207 K208 S211 G216	N134-Q205 PolarHBondContact OD1-NE2 2.01Å; L135-Q205 HydrophobicContact CB-CG 4.42Å; L135-Q205 HydrophobicContact CD1-CB 3.79Å; L135-Q205 HydrophobicContact CD1-CG 4.02Å; L135-Q205 HydrophobicContact CG-CG 4.48Å; L201-Q205 PolarHBondContact O-N 3.49Å; L202-Q205 VanDerWaalsContact O-CB 3.32Å; L202-Q205 WeakPolarHBondContact O-CB 3.45Å; L202-Q205 PolarHBondContact O-N 3.33Å; R203-Q205 PolarHBondContact O-N 3.44Å; Q205-E207 VanDerWaalsContact C-N 3.33Å; Q205-K208 PolarHBondContact O-N 3.25Å; Q205-S211 WeakPolarHBondContact O-CB 3.14Å; Q205-S211 PolarHBondContact O-OG 3.31Å; Q205-G216 VanDerWaalsContact NE2-N 3.11Å
206	W	71.8	Confident	75.5	Confident	130 Å²	130	53.4 Å²	53.4	49%	0.492	28%	0.28	S	S	.	.	H	α-helix	trans	-69.1	-31.5	-179.6	-60.4	-17.6	0	0	0	112.8	L202 R203 S212 A213	L202-W206 HydrophobicContact CB-CZ2 4.36Å; L202-W206 VanDerWaalsContact O-CD1 3.29Å; L202-W206 PolarHBondContact O-N 3.26Å; R203-W206 WeakPolarHBondContact O-CB 3.32Å; R203-W206 PolarHBondContact O-N 3.06Å; W206-S212 VanDerWaalsContact CD1-O 3.27Å; W206-A213 PolarHBondContact NE1-O 3.01Å; W206-A213 VanDerWaalsContact NE1-O 3.1Å
207	E	74.4	Confident	75.2	Confident	135 Å²	135	52.9 Å²	52.9	63%	0.631	28%	0.276	S	S	*	.	H	α-helix	trans	-75.6	-21.9	179.1	-72.6	172.6	-177.9	0	0	113	R203 E204 Q205 A209	R203-E207 HydrophobicContact CG-CG 4.4Å; R203-E207 WeakPolarHBondContact CG-OE1 3.39Å; R203-E207 IonicContact NE-OE1 2.84Å; R203-E207 WeakPolarHBondContact O-CG 3.35Å; R203-E207 PolarHBondContact O-N 3.37Å; E204-E207 PolarHBondContact O-N 2.86Å; Q205-E207 VanDerWaalsContact C-N 3.33Å; E207-A209 PolarHBondContact O-N 3.29Å
208	K	72	Confident	75.1	Confident	108 Å²	108	49.9 Å²	49.9	47%	0.47	26%	0.263	S	S	.	.	S	Bend	trans	-60.2	134.9	174.8	-76.7	178.2	-175.3	-170.4	0	111.5	E204 Q205 G210 S211	E204-K208 WeakPolarHBondContact O-CG 3.37Å; E204-K208 PolarHBondContact O-N 3.25Å; Q205-K208 PolarHBondContact O-N 3.25Å; K208-G210 PolarHBondContact O-N 3.4Å; K208-S211 WeakPolarHBondContact CB-OG 3.46Å; K208-S211 WeakPolarHBondContact O-CB 3.45Å; K208-S211 PolarHBondContact O-N 2.93Å; K208-S211 PolarHBondContact O-OG 2.89Å; K208-S211 VanDerWaalsContact O-OG 3.08Å
209	A	65.5	Low	75.2	Confident	93 Å²	93	50 Å²	50	77%	0.769	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	129.2	179.6	0	0	0	0	0	111.8	E207 S211	E207-A209 PolarHBondContact O-N 3.29Å; A209-S211 VanDerWaalsContact C-N 3.3Å
210	G	66.6	Low	75.1	Confident	23 Å²	23	50 Å²	50	24%	0.237	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	85	-2.2	-176.8	0	0	0	0	0	114.5	K208 G336 D337	K208-G210 PolarHBondContact O-N 3.4Å; G210-G336 WeakPolarHBondContact O-CA 3.44Å; G210-D337 PolarHBondContact O-N 2.83Å
211	S	67.4	Low	75	Confident	13 Å²	13	50.4 Å²	50.4	9%	0.091	27%	0.268	C	S	.	.			trans	-77.3	168.7	171.7	-61.4	0	0	0	0	112.8	Q205 K208 A209 G216 G336	Q205-S211 WeakPolarHBondContact O-CB 3.14Å; Q205-S211 PolarHBondContact O-OG 3.31Å; K208-S211 WeakPolarHBondContact CB-OG 3.46Å; K208-S211 WeakPolarHBondContact O-CB 3.45Å; K208-S211 PolarHBondContact O-N 2.93Å; K208-S211 PolarHBondContact O-OG 2.89Å; K208-S211 VanDerWaalsContact O-OG 3.08Å; A209-S211 VanDerWaalsContact C-N 3.3Å; S211-G216 WeakPolarHBondContact OG-CA 3.42Å; S211-G336 WeakPolarHBondContact O-CA 3.37Å; S211-G336 PolarHBondContact O-N 3.13Å
212	S	66.8	Low	75.4	Confident	7 Å²	7	53.6 Å²	53.6	5%	0.049	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-138.9	171.8	171.6	73.8	0	0	0	0	109.6	W206 I214 G215 R333 G335	W206-S212 VanDerWaalsContact CD1-O 3.27Å; S212-I214 PolarHBondContact O-N 3.36Å; S212-I214 PolarHBondContact OG-N 2.93Å; S212-I214 VanDerWaalsContact OG-N 3.15Å; S212-G215 PolarHBondContact N-O 3.33Å; S212-G215 PolarHBondContact O-N 3.16Å; S212-G215 VanDerWaalsContact O-N 3.14Å; S212-G215 PolarHBondContact OG-N 3.03Å; S212-G215 PolarHBondContact OG-O 2.95Å; S212-R333 PolarHBondContact OG-NE 3.07Å; S212-R333 PolarHBondContact OG-NH2 3Å; S212-G335 VanDerWaalsContact CB-O 3.25Å; S212-G335 WeakPolarHBondContact CB-O 3.14Å
213	A	64.6	Low	75.9	Confident	71 Å²	71	52.4 Å²	52.4	59%	0.587	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-20	172.1	0	0	0	0	0	114.1	W206	W206-A213 PolarHBondContact NE1-O 3.01Å; W206-A213 VanDerWaalsContact NE1-O 3.1Å
214	I	66.6	Low	76.4	Confident	40 Å²	40	48.7 Å²	48.7	21%	0.205	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-17.3	-170.3	-72.2	175.5	0	0	0	111.8	S212 R329 R333	S212-I214 PolarHBondContact O-N 3.36Å; S212-I214 PolarHBondContact OG-N 2.93Å; S212-I214 VanDerWaalsContact OG-N 3.15Å; I214-R329 PolarHBondContact O-NH2 2.96Å; I214-R333 HydrophobicContact CD1-CG 4.4Å; I214-R333 VanDerWaalsContact CG2-NH1 3.31Å
215	G	69.4	Low	77	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.01	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	174.3	172.5	-177.6	0	0	0	0	0	114.5	N134 S212 R333	N134-G215 WeakPolarHBondContact OD1-CA 3.43Å; S212-G215 PolarHBondContact N-O 3.33Å; S212-G215 PolarHBondContact O-N 3.16Å; S212-G215 VanDerWaalsContact O-N 3.14Å; S212-G215 PolarHBondContact OG-N 3.03Å; S212-G215 PolarHBondContact OG-O 2.95Å; G215-R333 PolarHBondContact O-NH2 3.34Å
216	G	73.8	Confident	78	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.249	C	C	.	.			trans	-77.7	-164.5	-178.2	0	0	0	0	0	114.1	D133 N134 Q205 S211	D133-G216 VanDerWaalsContact O-CA 3.29Å; D133-G216 WeakPolarHBondContact O-CA 3.32Å; N134-G216 PolarHBondContact OD1-N 3.03Å; Q205-G216 VanDerWaalsContact NE2-N 3.11Å; S211-G216 WeakPolarHBondContact OG-CA 3.42Å
217	P	78.9	Confident	79	Confident	27 Å²	27	39 Å²	39	18%	0.175	23%	0.229	C	C	.	.			trans	-67	157	-179.6	29.4	-35.2	0	0	0	111.8	W132 D133 R219	W132-P217 WeakPolarHBondContact CA-O 3.29Å; D133-P217 HydrophobicContact CB-CG 4.27Å; D133-P217 PolarHBondContact N-O 2.98Å; P217-R219 PolarHBondContact O-N 3.4Å
218	L	85	Confident	79.9	Confident	10 Å²	10	32.9 Å²	32.9	5%	0.052	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-69.3	127.3	176.9	-172	69.9	0	0	0	110.7	L131 F220 D337 P339	L131-L218 HydrophobicContact CB-CD1 4.3Å; L131-L218 HydrophobicContact CD2-CD1 4.32Å; L131-L218 WeakPolarHBondContact O-CD1 3.06Å; L218-F220 WeakPolarHBondContact CD2-O 3.38Å; L218-F220 WeakPolarHBondContact CG-O 3.28Å; L218-D337 HydrophobicContact CB-CB 3.75Å; L218-D337 HydrophobicContact CD2-CB 4.48Å; L218-P339 HydrophobicContact CD1-CG 3.52Å; L218-P339 HydrophobicContact CD2-CG 3.75Å; L218-P339 HydrophobicContact CG-CG 4.31Å
219	R	86.9	Confident	80.7	Confident	22 Å²	22	30.7 Å²	30.7	8%	0.083	19%	0.193	C	C	.	.	S	Bend	trans	-69.6	-41.3	179.5	-66.8	-172.6	-176.2	-79.4	-0.3	112.5	C22 M130 L131 D133 P217	C22-R219 PolarHBondContact N-O 3.32Å; C22-R219 VanDerWaalsContact N-O 3.12Å; M130-R219 WeakPolarHBondContact O-CD 3.45Å; L131-R219 PolarHBondContact O-N 3.41Å; D133-R219 HydrophobicContact CB-CG 4.01Å; D133-R219 IonicContact OD1-CZ 2.8Å; D133-R219 IonicContact OD1-NH1 3.42Å; D133-R219 PolarHBondContact OD1-NH1 3.3Å; D133-R219 VanDerWaalsContact OD1-NH1 3.16Å; D133-R219 IonicContact OD1-NH2 3.19Å; D133-R219 PolarHBondContact OD1-NH2 3.42Å; D133-R219 IonicContact OD2-NH1 3.15Å; P217-R219 PolarHBondContact O-N 3.4Å
220	F	86.9	Confident	81.7	Confident	12 Å²	12	27.4 Å²	27.4	5%	0.053	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-114	103.2	-177	-58.3	-85.6	0	0	0	109.1	C22 L26 L104 I107 L218 N222 S223	C22-F220 HydrophobicContact CB-CD1 3.89Å; C22-F220 HydrophobicContact CB-CE1 4.3Å; L26-F220 HydrophobicContact CB-CB 4.16Å; L26-F220 HydrophobicContact CB-CD1 4.43Å; L26-F220 HydrophobicContact CB-CD2 4.44Å; L26-F220 HydrophobicContact CB-CG 4.11Å; L26-F220 HydrophobicContact CD2-CB 4.47Å; L26-F220 HydrophobicContact CD2-CD2 3.46Å; L26-F220 VanDerWaalsContact CD2-CD2 3.46Å; L26-F220 HydrophobicContact CD2-CE2 3.77Å; L26-F220 HydrophobicContact CD2-CG 3.99Å; L104-F220 HydrophobicContact CD2-CE2 4.02Å; L104-F220 HydrophobicContact CD2-CZ 3.84Å; I107-F220 HydrophobicContact CD1-CE2 4.29Å; I107-F220 HydrophobicContact CD1-CZ 4.06Å; I107-F220 HydrophobicContact CG2-CE1 3.71Å; I107-F220 HydrophobicContact CG2-CZ 3.71Å; L218-F220 WeakPolarHBondContact CD2-O 3.38Å; L218-F220 WeakPolarHBondContact CG-O 3.28Å; F220-N222 PolarHBondContact O-N 2.88Å; F220-S223 VanDerWaalsContact CB-OG 3.29Å; F220-S223 WeakPolarHBondContact CB-OG 3.19Å; F220-S223 WeakPolarHBondContact O-CB 3.28Å; F220-S223 PolarHBondContact O-N 3.34Å; F220-S223 PolarHBondContact O-OG 3.23Å
221	T	83.9	Confident	82.7	Confident	70 Å²	70	31.3 Å²	31.3	43%	0.429	18%	0.179	S	C	.	.	S	Bend	trans	-66.8	-25.4	-177.6	46.2	0	0	0	0	112.6	K21 C22 S223	K21-T221 HydrophobicContact CB-CG2 3.61Å; K21-T221 HydrophobicContact CD-CG2 3.63Å; K21-T221 HydrophobicContact CG-CG2 3.7Å; C22-T221 PolarHBondContact O-N 2.96Å; C22-T221 VanDerWaalsContact O-N 3.15Å; C22-T221 PolarHBondContact O-OG1 3.11Å; T221-S223 PolarHBondContact O-N 2.83Å
222	N	89.1	Confident	83.7	Confident	86 Å²	86	33.3 Å²	33.3	46%	0.46	19%	0.188	S	C	.	.	S	Bend	trans	-95.7	60.4	173.4	-168.7	7.9	0	0	0	110.9	S23 P25 L26 F220	S23-N222 WeakPolarHBondContact O-CB 3.39Å; S23-N222 PolarHBondContact O-ND2 3.42Å; P25-N222 CarbonylContact C-O 3.56Å; P25-N222 VanDerWaalsContact CA-O 3.26Å; P25-N222 WeakPolarHBondContact CA-O 3.41Å; L26-N222 PolarHBondContact N-O 3.26Å; F220-N222 PolarHBondContact O-N 2.88Å
223	S	91.7	Very high	84.7	Confident	6 Å²	6	34 Å²	34	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	143.4	176.8	-67.2	0	0	0	0	111.8	L26 F220 T221 P340	L26-S223 CarbonylContact O-C 3.57Å; L26-S223 VanDerWaalsContact O-CA 3.27Å; L26-S223 WeakPolarHBondContact O-CA 3.47Å; F220-S223 VanDerWaalsContact CB-OG 3.29Å; F220-S223 WeakPolarHBondContact CB-OG 3.19Å; F220-S223 WeakPolarHBondContact O-CB 3.28Å; F220-S223 PolarHBondContact O-N 3.34Å; F220-S223 PolarHBondContact O-OG 3.23Å; T221-S223 PolarHBondContact O-N 2.83Å; S223-P340 WeakPolarHBondContact O-CD 3.34Å
224	L	90.5	Very high	85.8	Confident	54 Å²	54	34.4 Å²	34.4	28%	0.283	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.7	172.2	174.9	64.5	0	0	0	109.7	L26 I27 V28 L226 P340 Y342	L26-L224 PolarHBondContact O-N 3.28Å; I27-L224 CarbonylContact C-O 3.57Å; I27-L224 WeakPolarHBondContact CA-O 3.41Å; I27-L224 HydrophobicContact CG1-CB 4.45Å; I27-L224 HydrophobicContact CG2-CD2 4.44Å; V28-L224 PolarHBondContact N-O 2.89Å; L224-L226 HydrophobicContact CD1-CD2 4.33Å; L224-L226 HydrophobicContact CD2-CD2 4.11Å; L224-L226 HydrophobicContact CD2-CG 4.43Å; L224-L226 HydrophobicContact CG-CD2 4.11Å; L224-L226 HydrophobicContact CG-CG 4.38Å; L224-P340 HydrophobicContact CD1-CG 4.37Å; L224-Y342 HydrophobicContact CD1-CD2 3.4Å; L224-Y342 VanDerWaalsContact CD1-CD2 3.4Å; L224-Y342 HydrophobicContact CD1-CE2 3.36Å
225	I	93.1	Very high	86.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.1	175.9	-60.9	172.2	0	0	0	109.5	V28 L30 L131 F330 P339 P340 I341 Y342	V28-I225 HydrophobicContact CB-CG1 4.23Å; V28-I225 CarbonylContact O-C 3.56Å; V28-I225 WeakPolarHBondContact O-CA 3.27Å; L30-I225 HydrophobicContact CD1-CG2 3.45Å; L30-I225 VanDerWaalsContact CD1-CG2 3.45Å; L30-I225 HydrophobicContact CG-CG2 3.87Å; L131-I225 HydrophobicContact CD1-CD1 3.95Å; L131-I225 HydrophobicContact CD1-CG1 4.43Å; I225-F330 HydrophobicContact CD1-CD1 4.2Å; I225-P339 HydrophobicContact CD1-CB 3.89Å; I225-P339 HydrophobicContact CD1-CG 3.9Å; I225-P339 HydrophobicContact CG1-CB 4.04Å; I225-P339 HydrophobicContact CG1-CG 4.38Å; I225-P340 PolarHBondContact N-O 2.73Å; I225-I341 HydrophobicContact CB-CB 4.4Å; I225-I341 HydrophobicContact CB-CG1 3.93Å; I225-I341 HydrophobicContact CB-CG2 4.49Å; I225-I341 HydrophobicContact CD1-CD1 4.47Å; I225-I341 HydrophobicContact CD1-CG1 3.98Å; I225-I341 HydrophobicContact CG2-CB 4.44Å; I225-I341 HydrophobicContact CG2-CG1 4.07Å; I225-I341 HydrophobicContact CG2-CG2 4.02Å; I225-I341 CarbonylContact O-C 3.6Å; I225-I341 WeakPolarHBondContact O-CA 3.39Å; I225-Y342 PolarHBondContact O-N 3.42Å
226	L	92.9	Very high	88	Confident	23 Å²	23	32.6 Å²	32.6	12%	0.12	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.9	171.9	-58.2	-178.2	0	0	0	108.8	I27 V28 I29 L30 L44 L224 Y342 L344	I27-L226 HydrophobicContact CG2-CD1 4.19Å; I27-L226 HydrophobicContact CG2-CG 4.4Å; V28-L226 PolarHBondContact O-N 3.21Å; I29-L226 CarbonylContact C-O 3.54Å; I29-L226 WeakPolarHBondContact CA-O 3.24Å; I29-L226 HydrophobicContact CG1-CB 4.26Å; I29-L226 HydrophobicContact CG1-CD1 4.35Å; L30-L226 PolarHBondContact N-O 2.94Å; L44-L226 HydrophobicContact CD2-CD1 4.18Å; L224-L226 HydrophobicContact CD1-CD2 4.33Å; L224-L226 HydrophobicContact CD2-CD2 4.11Å; L224-L226 HydrophobicContact CD2-CG 4.43Å; L224-L226 HydrophobicContact CG-CD2 4.11Å; L224-L226 HydrophobicContact CG-CG 4.38Å; L226-Y342 HydrophobicContact CD2-CD2 4.49Å; L226-L344 HydrophobicContact CB-CD1 3.96Å; L226-L344 HydrophobicContact CD1-CD1 4.3Å; L226-L344 HydrophobicContact CD2-CD1 4.35Å; L226-L344 HydrophobicContact CG-CD1 4.43Å
227	W	94.1	Very high	88.8	Confident	18 Å²	18	32.8 Å²	32.8	7%	0.068	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	104.8	-179.1	177.1	23.3	0	0	0	111.3	L30 Q229 I326 R327 V331 I341 Y342 A343 L344	L30-W227 HydrophobicContact CB-CB 4.42Å; W227-Q229 HydrophobicContact CD2-CG 3.9Å; W227-Q229 HydrophobicContact CE3-CG 4.29Å; W227-Q229 HydrophobicContact CG-CG 4.31Å; W227-Q229 HydrophobicContact CH2-CG 4.43Å; W227-Q229 HydrophobicContact CZ2-CG 4.03Å; W227-Q229 PolarHBondContact O-N 3.01Å; W227-I326 HydrophobicContact CD2-CG2 3.8Å; W227-I326 HydrophobicContact CE3-CG2 4.33Å; W227-I326 HydrophobicContact CG-CG2 4.11Å; W227-I326 HydrophobicContact CZ2-CG2 4.01Å; W227-R327 HydrophobicContact CH2-CG 3.77Å; W227-R327 HydrophobicContact CZ2-CG 4.24Å; W227-V331 HydrophobicContact CE3-CG2 3.72Å; W227-V331 HydrophobicContact CH2-CG2 4.12Å; W227-V331 HydrophobicContact CZ3-CG2 3.42Å; W227-V331 VanDerWaalsContact CZ3-CG2 3.42Å; W227-I341 HydrophobicContact CB-CG2 4.16Å; W227-Y342 PolarHBondContact N-O 2.9Å; W227-A343 CarbonylContact O-C 3.55Å; W227-A343 WeakPolarHBondContact O-CA 3.47Å; W227-L344 PolarHBondContact O-N 3.16Å
228	T	92.6	Very high	89.4	Confident	6 Å²	6	33.3 Å²	33.3	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	118.4	173.4	58.4	0	0	0	0	111.1	I29 L30 S35 K37 L40 L344	I29-T228 HydrophobicContact CG2-CG2 4.24Å; L30-T228 PolarHBondContact O-N 2.88Å; L30-T228 PolarHBondContact O-OG1 3.25Å; S35-T228 PolarHBondContact OG-OG1 3.17Å; S35-T228 VanDerWaalsContact OG-OG1 3.07Å; K37-T228 WeakPolarHBondContact CG-OG1 3.44Å; L40-T228 HydrophobicContact CD2-CG2 3.64Å; T228-L344 CarbonylContact C-O 3.56Å; T228-L344 WeakPolarHBondContact CA-O 3.38Å
229	Q	89.5	Confident	89.7	Confident	63 Å²	63	32.9 Å²	32.9	29%	0.294	17%	0.17	S	C	.	.			trans	-108.2	139.4	179.2	-66.2	-172.8	-15.8	0	0	110.2	W227 A343 L344 P346	W227-Q229 HydrophobicContact CD2-CG 3.9Å; W227-Q229 HydrophobicContact CE3-CG 4.29Å; W227-Q229 HydrophobicContact CG-CG 4.31Å; W227-Q229 HydrophobicContact CH2-CG 4.43Å; W227-Q229 HydrophobicContact CZ2-CG 4.03Å; W227-Q229 PolarHBondContact O-N 3.01Å; Q229-A343 HydrophobicContact CG-CB 4.35Å; Q229-L344 PolarHBondContact N-O 3.16Å; Q229-P346 WeakPolarHBondContact O-CD 3.02Å
230	C	85.7	Confident	90	Very high	24 Å²	24	34.5 Å²	34.5	16%	0.162	18%	0.176	C	C	.	.			trans	-141.6	138.5	174.1	-169.9	0	0	0	0	108.5	L235	C230-L235 HydrophobicContact CB-CB 4.36Å; C230-L235 HydrophobicContact CB-CD1 4.23Å
231	D	87.1	Confident	90.3	Very high	104 Å²	104	38.8 Å²	38.8	56%	0.556	20%	0.197	S	C	*	.			trans	-63.5	138.9	175	-175.1	-151.5	0	0	0	110.5	P233 K234 L235	D231-P233 VanDerWaalsContact C-CD 3.47Å; D231-P233 WeakPolarHBondContact OD1-CD 3.5Å; D231-P233 WeakPolarHBondContact OD2-CD 3.49Å; D231-K234 PolarHBondContact O-N 2.83Å; D231-L235 VanDerWaalsContact O-CB 3.32Å; D231-L235 WeakPolarHBondContact O-CB 3.21Å; D231-L235 PolarHBondContact O-N 2.96Å
232	L	88.4	Confident	90.7	Very high	55 Å²	55	38.3 Å²	38.3	29%	0.288	19%	0.187	S	C	.	.	H	α-helix	trans	-58.7	-43.2	-170.1	-71.1	179.7	0	0	0	114.4	L235 F236 K320 I323	L232-L235 HydrophobicContact CD2-CD2 4.29Å; L232-L235 PolarHBondContact O-N 3.33Å; L232-F236 HydrophobicContact CB-CE2 4.07Å; L232-F236 HydrophobicContact CB-CZ 3.82Å; L232-F236 HydrophobicContact CD1-CZ 4.47Å; L232-F236 HydrophobicContact CD2-CE1 4.12Å; L232-F236 HydrophobicContact CD2-CZ 3.89Å; L232-F236 HydrophobicContact CG-CZ 4.28Å; L232-F236 WeakPolarHBondContact O-CD1 3.36Å; L232-F236 VanDerWaalsContact O-CD2 3.29Å; L232-F236 WeakPolarHBondContact O-CD2 3.26Å; L232-F236 WeakPolarHBondContact O-CG 3.49Å; L232-F236 PolarHBondContact O-N 2.75Å; L232-K320 HydrophobicContact CD2-CG 4.4Å; L232-I323 HydrophobicContact CD2-CD1 3.66Å
233	P	87.8	Confident	90.9	Very high	23 Å²	23	34.4 Å²	34.4	15%	0.149	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-50.9	176.2	-14.9	26.6	0	0	0	111.7	D231 L235 F236 C237 L365	D231-P233 VanDerWaalsContact C-CD 3.47Å; D231-P233 WeakPolarHBondContact OD1-CD 3.5Å; D231-P233 WeakPolarHBondContact OD2-CD 3.49Å; P233-L235 VanDerWaalsContact C-N 3.29Å; P233-L235 PolarHBondContact O-N 2.97Å; P233-F236 PolarHBondContact O-N 2.59Å; P233-F236 VanDerWaalsContact O-N 3.15Å; P233-C237 PolarHBondContact O-N 3.14Å; P233-C237 VanDerWaalsContact O-N 3.15Å; P233-C237 PolarHBondContact O-SG 3.12Å; P233-C237 VanDerWaalsContact O-SG 3.36Å; P233-L365 HydrophobicContact CB-CD2 3.74Å; P233-L365 HydrophobicContact CG-CD1 4.29Å; P233-L365 HydrophobicContact CG-CD2 3.61Å
234	K	88	Confident	91.1	Very high	79 Å²	79	36.9 Å²	36.9	34%	0.343	18%	0.179	S	C	.	.	H	α-helix	trans	-59.6	-42.3	177.6	-66.9	-173.6	177.4	-173	0	111.3	D231 F236 C237 K238 T350	D231-K234 PolarHBondContact O-N 2.83Å; K234-F236 PolarHBondContact O-N 3.41Å; K234-C237 PolarHBondContact O-N 3.16Å; K234-K238 WeakPolarHBondContact O-CG 3.28Å; K234-K238 PolarHBondContact O-N 2.64Å; K234-T350 WeakPolarHBondContact CE-O 3.37Å
235	L	90.6	Very high	91.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-45	176.8	-176.5	65.7	0	0	0	111.5	S32 T33 C230 D231 L232 P233 C237 K238 L239 A319 I323	S32-L235 VanDerWaalsContact OG-CD2 3.31Å; S32-L235 WeakPolarHBondContact OG-CD2 3.47Å; T33-L235 WeakPolarHBondContact O-CD1 3.34Å; C230-L235 HydrophobicContact CB-CB 4.36Å; C230-L235 HydrophobicContact CB-CD1 4.23Å; D231-L235 VanDerWaalsContact O-CB 3.32Å; D231-L235 WeakPolarHBondContact O-CB 3.21Å; D231-L235 PolarHBondContact O-N 2.96Å; L232-L235 HydrophobicContact CD2-CD2 4.29Å; L232-L235 PolarHBondContact O-N 3.33Å; P233-L235 VanDerWaalsContact C-N 3.29Å; P233-L235 PolarHBondContact O-N 2.97Å; L235-C237 VanDerWaalsContact C-N 3.33Å; L235-C237 PolarHBondContact O-N 2.93Å; L235-K238 PolarHBondContact O-N 3.25Å; L235-L239 HydrophobicContact CG-CD1 4.29Å; L235-L239 VanDerWaalsContact O-CG 3.26Å; L235-L239 WeakPolarHBondContact O-CG 3.33Å; L235-L239 PolarHBondContact O-N 3.32Å; L235-A319 HydrophobicContact CD2-CB 4.04Å; L235-I323 HydrophobicContact CD2-CD1 4.19Å
236	F	92	Very high	91.3	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.013	18%	0.176	C	C	.	.	H	α-helix	trans	-67.8	-33.7	-178.7	-58.8	-23.7	0	0	0	113.1	L232 P233 K234 L239 R240 H312 C316 K320 Y356 L365	L232-F236 HydrophobicContact CB-CE2 4.07Å; L232-F236 HydrophobicContact CB-CZ 3.82Å; L232-F236 HydrophobicContact CD1-CZ 4.47Å; L232-F236 HydrophobicContact CD2-CE1 4.12Å; L232-F236 HydrophobicContact CD2-CZ 3.89Å; L232-F236 HydrophobicContact CG-CZ 4.28Å; L232-F236 WeakPolarHBondContact O-CD1 3.36Å; L232-F236 VanDerWaalsContact O-CD2 3.29Å; L232-F236 WeakPolarHBondContact O-CD2 3.26Å; L232-F236 WeakPolarHBondContact O-CG 3.49Å; L232-F236 PolarHBondContact O-N 2.75Å; P233-F236 PolarHBondContact O-N 2.59Å; P233-F236 VanDerWaalsContact O-N 3.15Å; K234-F236 PolarHBondContact O-N 3.41Å; F236-L239 HydrophobicContact CD1-CD1 4.32Å; F236-L239 PolarHBondContact O-N 3.24Å; F236-R240 PolarHBondContact O-N 3.4Å; F236-H312 PolarHBondContact O-NE2 3.03Å; F236-C316 HydrophobicContact CD1-CB 3.9Å; F236-C316 WeakPolarHBondContact CD1-SG 3.41Å; F236-C316 HydrophobicContact CE1-CB 4.02Å; F236-K320 HydrophobicContact CE1-CG 4.48Å; F236-K320 HydrophobicContact CZ-CD 4.29Å; F236-K320 HydrophobicContact CZ-CG 4.24Å; F236-Y356 HydrophobicContact CB-CD1 4.45Å; F236-Y356 HydrophobicContact CB-CD2 4.34Å; F236-Y356 HydrophobicContact CB-CE1 3.8Å; F236-Y356 HydrophobicContact CB-CE2 3.7Å; F236-Y356 WeakPolarHBondContact CB-OH 3.4Å; F236-Y356 AromaticContact CD2-CD1 3.98Å; F236-Y356 HydrophobicContact CD2-CD1 3.98Å; F236-Y356 AromaticContact CD2-CE1 3.93Å; F236-Y356 HydrophobicContact CD2-CE1 3.93Å; F236-Y356 HydrophobicContact CD2-CG 4.44Å; F236-Y356 HydrophobicContact CG-CE1 4.27Å; F236-Y356 PolarHBondContact O-OH 3.16Å; F236-L365 HydrophobicContact CD2-CB 4.35Å; F236-L365 HydrophobicContact CD2-CD2 3.84Å; F236-L365 HydrophobicContact CE2-CB 3.73Å; F236-L365 HydrophobicContact CE2-CD2 3.81Å; F236-L365 HydrophobicContact CE2-CG 4.34Å
237	C	90.1	Very high	91.4	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.02	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-48.1	171.5	-59.7	0	0	0	0	111.6	P233 K234 L235 L239 R240 E241 C352	P233-C237 PolarHBondContact O-N 3.14Å; P233-C237 VanDerWaalsContact O-N 3.15Å; P233-C237 PolarHBondContact O-SG 3.12Å; P233-C237 VanDerWaalsContact O-SG 3.36Å; K234-C237 PolarHBondContact O-N 3.16Å; L235-C237 VanDerWaalsContact C-N 3.33Å; L235-C237 PolarHBondContact O-N 2.93Å; C237-L239 PolarHBondContact O-N 3.28Å; C237-R240 WeakPolarHBondContact O-CA 3.43Å; C237-R240 WeakPolarHBondContact O-CB 3.21Å; C237-R240 PolarHBondContact O-N 2.87Å; C237-E241 PolarHBondContact O-N 2.61Å; C237-C352 HydrophobicContact CB-CB 3.49Å; C237-C352 VanDerWaalsContact CB-CB 3.49Å; C237-C352 WeakPolarHBondContact CB-SG 3.39Å; C237-C352 WeakPolarHBondContact SG-CB 3.4Å; C237-C352 PolarHBondContact SG-O 3.35Å; C237-C352 CovalentContact SG-SG 2.01Å; C237-C352 PolarHBondContact SG-SG 3.23Å
238	K	90.9	Very high	91.4	Very high	39 Å²	39	46 Å²	46	17%	0.17	22%	0.219	C	C	.	.	H	α-helix	trans	-58.6	-36.8	174.9	-71	179.6	172.8	-164.8	0	113	K234 L235 R240 R242 D348	K234-K238 WeakPolarHBondContact O-CG 3.28Å; K234-K238 PolarHBondContact O-N 2.64Å; L235-K238 PolarHBondContact O-N 3.25Å; K238-R240 VanDerWaalsContact C-N 3.32Å; K238-R242 VanDerWaalsContact O-CB 3.24Å; K238-R242 WeakPolarHBondContact O-CB 3.42Å; K238-R242 PolarHBondContact O-N 2.99Å; K238-D348 IonicContact NZ-OD2 3.82Å; K238-D348 PolarHBondContact NZ-OD2 3.29Å
239	L	92.7	Very high	91.5	Very high	1 Å²	1	51 Å²	51	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-67.3	-34.4	175.2	-69.4	177.7	0	0	0	111.9	T33 L235 F236 C237 I243 T315 A319	T33-L239 HydrophobicContact CG2-CD1 4.48Å; T33-L239 HydrophobicContact CG2-CD2 3.99Å; L235-L239 HydrophobicContact CG-CD1 4.29Å; L235-L239 VanDerWaalsContact O-CG 3.26Å; L235-L239 WeakPolarHBondContact O-CG 3.33Å; L235-L239 PolarHBondContact O-N 3.32Å; F236-L239 HydrophobicContact CD1-CD1 4.32Å; F236-L239 PolarHBondContact O-N 3.24Å; C237-L239 PolarHBondContact O-N 3.28Å; L239-I243 WeakPolarHBondContact O-CG1 3.24Å; L239-I243 PolarHBondContact O-N 2.91Å; L239-T315 HydrophobicContact CD1-CG2 4.06Å; L239-T315 HydrophobicContact CD2-CG2 3.79Å; L239-T315 HydrophobicContact CG-CG2 4.35Å; L239-A319 HydrophobicContact CD1-CB 4.07Å
240	R	93.6	Very high	91.8	Very high	56 Å²	56	49 Å²	49	21%	0.211	24%	0.236	C	C	.	.	H	α-helix	trans	-66.3	-53.4	172.7	-179.6	60.7	-170	-136.6	7.3	111.1	F236 C237 K238 R242 I243 D244 N309	F236-R240 PolarHBondContact O-N 3.4Å; C237-R240 WeakPolarHBondContact O-CA 3.43Å; C237-R240 WeakPolarHBondContact O-CB 3.21Å; C237-R240 PolarHBondContact O-N 2.87Å; K238-R240 VanDerWaalsContact C-N 3.32Å; R240-R242 PolarHBondContact O-N 3.43Å; R240-I243 WeakPolarHBondContact O-CA 3.44Å; R240-I243 WeakPolarHBondContact O-CB 3.3Å; R240-I243 PolarHBondContact O-N 3.41Å; R240-D244 IonicContact CZ-OD1 2.67Å; R240-D244 IonicContact NE-OD1 2.82Å; R240-D244 PolarHBondContact NE-OD1 3.4Å; R240-D244 VanDerWaalsContact NE-OD1 3.15Å; R240-D244 IonicContact NE-OD2 3.82Å; R240-D244 IonicContact NH2-OD1 3.84Å; R240-D244 PolarHBondContact O-N 3Å; R240-N309 PolarHBondContact NH1-OD1 3.06Å
241	E	92.2	Very high	92.2	Very high	102 Å²	102	47.8 Å²	47.8	48%	0.477	23%	0.228	S	C	.	.	H	α-helix	trans	-55.4	-37.5	178.2	-69.6	170.9	179.3	0	0	112.1	C237 D244 G245	C237-E241 PolarHBondContact O-N 2.61Å; E241-D244 PolarHBondContact O-N 3.24Å; E241-G245 PolarHBondContact O-N 2.97Å
242	R	92.1	Very high	92.5	Very high	59 Å²	59	45.6 Å²	45.6	22%	0.223	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-42.4	175.2	177.4	174	169.1	-162.8	-11.6	112.4	T33 N69 K238 R240 G245 M246	T33-R242 PolarHBondContact OG1-NH1 3.4Å; N69-R242 VanDerWaalsContact CG-CZ 3.49Å; N69-R242 VanDerWaalsContact CG-NH2 3.35Å; N69-R242 PolarHBondContact OD1-NE 3.37Å; K238-R242 VanDerWaalsContact O-CB 3.24Å; K238-R242 WeakPolarHBondContact O-CB 3.42Å; K238-R242 PolarHBondContact O-N 2.99Å; R240-R242 PolarHBondContact O-N 3.43Å; R242-G245 CarbonylContact O-C 3.55Å; R242-G245 PolarHBondContact O-N 3.14Å; R242-M246 HydrophobicContact CG-CE 4.05Å; R242-M246 WeakPolarHBondContact O-CG 3.43Å; R242-M246 PolarHBondContact O-N 3.22Å
243	I	94.3	Very high	92.8	Very high	4 Å²	4	52 Å²	52	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-43.9	176.4	-70.6	165.9	0	0	0	109.9	L239 R240 G245 M246 V247 L308 L311 H312	L239-I243 WeakPolarHBondContact O-CG1 3.24Å; L239-I243 PolarHBondContact O-N 2.91Å; R240-I243 WeakPolarHBondContact O-CA 3.44Å; R240-I243 WeakPolarHBondContact O-CB 3.3Å; R240-I243 PolarHBondContact O-N 3.41Å; I243-G245 PolarHBondContact O-N 3.42Å; I243-M246 HydrophobicContact CG1-SD 4.43Å; I243-M246 WeakPolarHBondContact O-CA 3.36Å; I243-M246 WeakPolarHBondContact O-CB 3.39Å; I243-M246 PolarHBondContact O-N 2.86Å; I243-V247 WeakPolarHBondContact O-CG2 3.46Å; I243-V247 PolarHBondContact O-N 3.45Å; I243-L308 HydrophobicContact CG2-CD2 3.62Å; I243-L311 HydrophobicContact CD1-CD2 4.23Å; I243-L311 HydrophobicContact CD1-CG 3.88Å; I243-L311 HydrophobicContact CG1-CD2 4.06Å; I243-L311 HydrophobicContact CG1-CG 4.24Å; I243-L311 HydrophobicContact CG2-CD2 4.1Å; I243-H312 HydrophobicContact CD1-CB 3.56Å
244	D	94.1	Very high	93.1	Very high	59 Å²	59	52.1 Å²	52.1	32%	0.316	23%	0.231	S	C	.	.	H	α-helix	trans	-62	-33.6	176	-55.3	-31.2	0	0	0	111.1	R240 E241 R248	R240-D244 IonicContact CZ-OD1 2.67Å; R240-D244 IonicContact NE-OD1 2.82Å; R240-D244 PolarHBondContact NE-OD1 3.4Å; R240-D244 VanDerWaalsContact NE-OD1 3.15Å; R240-D244 IonicContact NE-OD2 3.82Å; R240-D244 IonicContact NH2-OD1 3.84Å; R240-D244 PolarHBondContact O-N 3Å; E241-D244 PolarHBondContact O-N 3.24Å; D244-R248 PolarHBondContact O-N 2.96Å; D244-R248 PolarHBondContact O-NE 3.17Å
245	G	93.7	Very high	93.3	Very high	15 Å²	15	48.5 Å²	48.5	16%	0.155	22%	0.215	C	C	.	.	H	α-helix	trans	-65.4	-41.6	169.6	0	0	0	0	0	113.8	E241 R242 I243 V247 R248 K249	E241-G245 PolarHBondContact O-N 2.97Å; R242-G245 CarbonylContact O-C 3.55Å; R242-G245 PolarHBondContact O-N 3.14Å; I243-G245 PolarHBondContact O-N 3.42Å; G245-V247 VanDerWaalsContact C-N 3.35Å; G245-R248 PolarHBondContact O-N 3.21Å; G245-K249 WeakPolarHBondContact O-CG 3.49Å; G245-K249 PolarHBondContact O-N 3.11Å
246	M	94.4	Very high	93.4	Very high	13 Å²	13	49.8 Å²	49.8	6%	0.064	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-43.2	175.4	-70.2	164.5	166.9	0	0	111.3	I66 N69 R242 I243 R248 K249 G250 L251	I66-M246 HydrophobicContact CG2-CB 3.88Å; I66-M246 HydrophobicContact CG2-CG 4.11Å; I66-M246 WeakPolarHBondContact O-CE 3.33Å; N69-M246 HydrophobicContact CB-CE 3.79Å; R242-M246 HydrophobicContact CG-CE 4.05Å; R242-M246 WeakPolarHBondContact O-CG 3.43Å; R242-M246 PolarHBondContact O-N 3.22Å; I243-M246 HydrophobicContact CG1-SD 4.43Å; I243-M246 WeakPolarHBondContact O-CA 3.36Å; I243-M246 WeakPolarHBondContact O-CB 3.39Å; I243-M246 PolarHBondContact O-N 2.86Å; M246-R248 VanDerWaalsContact C-N 3.34Å; M246-R248 PolarHBondContact O-N 3.46Å; M246-K249 PolarHBondContact O-N 3.23Å; M246-K249 VanDerWaalsContact O-N 3.16Å; M246-G250 PolarHBondContact O-N 2.85Å; M246-L251 HydrophobicContact CB-CB 4.17Å; M246-L251 HydrophobicContact CB-CD2 4.15Å; M246-L251 VanDerWaalsContact O-CB 3.29Å; M246-L251 WeakPolarHBondContact O-CB 3.47Å; M246-L251 PolarHBondContact O-N 3.15Å
247	V	95	Very high	93.3	Very high	54 Å²	54	51.9 Å²	51.9	33%	0.327	24%	0.238	S	C	.	.	H	α-helix	trans	-57.4	-48.4	176.3	175.7	0	0	0	0	110.4	I243 G245 K249 G250 L251 F304 L308	I243-V247 WeakPolarHBondContact O-CG2 3.46Å; I243-V247 PolarHBondContact O-N 3.45Å; G245-V247 VanDerWaalsContact C-N 3.35Å; V247-K249 VanDerWaalsContact C-N 3.31Å; V247-K249 PolarHBondContact O-N 3.11Å; V247-G250 PolarHBondContact O-N 3.39Å; V247-L251 HydrophobicContact CG2-CD2 4.35Å; V247-F304 HydrophobicContact CG2-CE1 4.37Å; V247-L308 HydrophobicContact CG2-CD1 3.93Å; V247-L308 HydrophobicContact CG2-CD2 3.54Å; V247-L308 HydrophobicContact CG2-CG 4.41Å
248	R	95	Very high	93.2	Very high	205 Å²	205	52.2 Å²	52.2	77%	0.774	24%	0.239	S	C	*	.	H	α-helix	trans	-61.8	-34	176.3	-73.6	-178.6	-73	140.7	-8	113.9	D244 G245 M246 G250	D244-R248 PolarHBondContact O-N 2.96Å; D244-R248 PolarHBondContact O-NE 3.17Å; G245-R248 PolarHBondContact O-N 3.21Å; M246-R248 VanDerWaalsContact C-N 3.34Å; M246-R248 PolarHBondContact O-N 3.46Å; R248-G250 PolarHBondContact O-N 3.1Å
249	K	94.3	Very high	93	Very high	111 Å²	111	52.3 Å²	52.3	48%	0.483	24%	0.239	S	C	.	.	H	α-helix	trans	-73.4	-8.3	175.4	-72.4	-176.8	176.9	-170.9	0	113.2	I66 E75 G245 M246 V247	I66-K249 HydrophobicContact CD1-CB 4.25Å; I66-K249 VanDerWaalsContact CD1-O 3.25Å; I66-K249 WeakPolarHBondContact CD1-O 3.46Å; I66-K249 HydrophobicContact CG1-CB 4.41Å; I66-K249 HydrophobicContact CG2-CB 4.14Å; E75-K249 IonicContact OE1-NZ 3.82Å; E75-K249 PolarHBondContact OE1-NZ 2.91Å; E75-K249 VanDerWaalsContact OE1-NZ 3.13Å; G245-K249 WeakPolarHBondContact O-CG 3.49Å; G245-K249 PolarHBondContact O-N 3.11Å; M246-K249 PolarHBondContact O-N 3.23Å; M246-K249 VanDerWaalsContact O-N 3.16Å; V247-K249 VanDerWaalsContact C-N 3.31Å; V247-K249 PolarHBondContact O-N 3.11Å
250	G	95.3	Very high	92.7	Very high	19 Å²	19	54.7 Å²	54.7	20%	0.196	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.4	31.9	178.6	0	0	0	0	0	114.5	M246 V247 R248 R252 R253 E254	M246-G250 PolarHBondContact O-N 2.85Å; V247-G250 PolarHBondContact O-N 3.39Å; R248-G250 PolarHBondContact O-N 3.1Å; G250-R252 PolarHBondContact O-N 3.46Å; G250-R253 PolarHBondContact O-N 3.08Å; G250-E254 PolarHBondContact O-N 3.3Å; G250-E254 VanDerWaalsContact O-N 3.09Å
251	L	94.3	Very high	92.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-47.2	-45.4	175.7	177.3	65.8	0	0	0	112.4	I66 V67 M246 V247 R253 E254 I255 F284 L308 L311	I66-L251 HydrophobicContact CG2-CB 4.24Å; I66-L251 HydrophobicContact CG2-CD1 4.38Å; V67-L251 HydrophobicContact CB-CD1 3.72Å; V67-L251 HydrophobicContact CG2-CD1 3.92Å; M246-L251 HydrophobicContact CB-CB 4.17Å; M246-L251 HydrophobicContact CB-CD2 4.15Å; M246-L251 VanDerWaalsContact O-CB 3.29Å; M246-L251 WeakPolarHBondContact O-CB 3.47Å; M246-L251 PolarHBondContact O-N 3.15Å; V247-L251 HydrophobicContact CG2-CD2 4.35Å; L251-R253 VanDerWaalsContact C-N 3.32Å; L251-R253 PolarHBondContact O-N 3.31Å; L251-E254 PolarHBondContact O-N 3.2Å; L251-I255 HydrophobicContact CD1-CG2 3.85Å; L251-I255 HydrophobicContact CG-CG2 4.43Å; L251-I255 WeakPolarHBondContact O-CG1 3.45Å; L251-I255 PolarHBondContact O-N 3.03Å; L251-F284 HydrophobicContact CD2-CE2 4.46Å; L251-F284 HydrophobicContact CD2-CZ 4.08Å; L251-L308 HydrophobicContact CD2-CD2 4.18Å; L251-L311 HydrophobicContact CD2-CD2 4.24Å
252	R	94.6	Very high	91.4	Very high	57 Å²	57	55.7 Å²	55.7	22%	0.215	26%	0.259	C	S	.	.	H	α-helix	trans	-56.6	-44.4	179.6	-178.1	172.6	168.6	150.4	-8.4	112.3	G250 I255 T256 F287 R295 D296 D301 F304	G250-R252 PolarHBondContact O-N 3.46Å; R252-I255 WeakPolarHBondContact O-CG1 3.35Å; R252-T256 VanDerWaalsContact O-CB 3.26Å; R252-T256 WeakPolarHBondContact O-CB 3.25Å; R252-T256 PolarHBondContact O-N 3.45Å; R252-T256 PolarHBondContact O-OG1 3.33Å; R252-F287 HydrophobicContact CG-CE1 4.37Å; R252-F287 HydrophobicContact CG-CZ 4.21Å; R252-R295 PolarHBondContact NH2-O 3.19Å; R252-D296 IonicContact CZ-OD1 2.86Å; R252-D296 IonicContact NH2-OD1 3.06Å; R252-D296 PolarHBondContact NH2-OD1 3.11Å; R252-D301 IonicContact CZ-OD1 3.99Å; R252-D301 IonicContact NH1-OD1 3.08Å; R252-D301 PolarHBondContact NH1-OD1 3.11Å; R252-D301 IonicContact NH2-OD1 3.58Å; R252-F304 HydrophobicContact CB-CE2 3.64Å; R252-F304 HydrophobicContact CB-CZ 3.64Å; R252-F304 HydrophobicContact CG-CD2 4.26Å; R252-F304 HydrophobicContact CG-CE2 3.75Å; R252-F304 HydrophobicContact CG-CZ 4.2Å
253	R	94.1	Very high	90.5	Very high	191 Å²	191	54 Å²	54	72%	0.721	25%	0.254	S	S	*	.	H	α-helix	trans	-67.6	-44.7	179	-176.3	178.2	63.8	-171.1	-1.1	111	G250 L251 T256 S257	G250-R253 PolarHBondContact O-N 3.08Å; L251-R253 VanDerWaalsContact C-N 3.32Å; L251-R253 PolarHBondContact O-N 3.31Å; R253-T256 PolarHBondContact O-N 2.93Å; R253-S257 WeakPolarHBondContact O-CB 3.45Å; R253-S257 PolarHBondContact O-N 3.12Å
254	E	94.1	Very high	89.2	Confident	25 Å²	25	61.9 Å²	61.9	12%	0.117	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-53.2	-179.5	-178.8	-178.3	81.3	0	0	111.8	G63 A65 I66 V67 G250 L251 T256 F258	G63-E254 WeakPolarHBondContact O-CG 3.1Å; A65-E254 PolarHBondContact N-OE2 3.19Å; I66-E254 WeakPolarHBondContact CB-OE1 3.34Å; I66-E254 WeakPolarHBondContact CB-OE2 3.4Å; I66-E254 HydrophobicContact CD1-CB 4.25Å; I66-E254 WeakPolarHBondContact CG1-OE2 3.43Å; I66-E254 PolarHBondContact N-OE1 2.99Å; I66-E254 PolarHBondContact N-OE2 3.09Å; V67-E254 WeakPolarHBondContact CB-OE1 3.32Å; V67-E254 WeakPolarHBondContact CG1-OE1 3.46Å; V67-E254 PolarHBondContact N-OE1 2.84Å; G250-E254 PolarHBondContact O-N 3.3Å; G250-E254 VanDerWaalsContact O-N 3.09Å; L251-E254 PolarHBondContact O-N 3.2Å; E254-T256 VanDerWaalsContact C-N 3.27Å; E254-T256 PolarHBondContact O-N 3.34Å; E254-F258 WeakPolarHBondContact O-CB 3.36Å; E254-F258 PolarHBondContact O-N 3.45Å
255	I	92.2	Very high	87.6	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-67	-30.7	-177.4	65.9	-177.2	0	0	0	112.4	L251 R252 Y259 F284 L288 F304	L251-I255 HydrophobicContact CD1-CG2 3.85Å; L251-I255 HydrophobicContact CG-CG2 4.43Å; L251-I255 WeakPolarHBondContact O-CG1 3.45Å; L251-I255 PolarHBondContact O-N 3.03Å; R252-I255 WeakPolarHBondContact O-CG1 3.35Å; I255-Y259 VanDerWaalsContact O-CB 3.28Å; I255-Y259 WeakPolarHBondContact O-CB 3.41Å; I255-Y259 PolarHBondContact O-N 3.26Å; I255-F284 HydrophobicContact CD1-CB 3.83Å; I255-F284 HydrophobicContact CD1-CD1 3.32Å; I255-F284 HydrophobicContact CD1-CD2 4.07Å; I255-F284 HydrophobicContact CD1-CE1 3.8Å; I255-F284 HydrophobicContact CD1-CE2 4.43Å; I255-F284 HydrophobicContact CD1-CG 3.45Å; I255-F284 VanDerWaalsContact CD1-CG 3.45Å; I255-F284 HydrophobicContact CD1-CZ 4.3Å; I255-L288 HydrophobicContact CG1-CD2 4.3Å; I255-F304 HydrophobicContact CD1-CE2 3.95Å
256	T	92	Very high	86.1	Confident	27 Å²	27	69.4 Å²	69.4	17%	0.166	31%	0.314	C	S	.	.	H	α-helix	trans	-72.7	-50.6	179.1	-56.9	0	0	0	0	110.9	R252 R253 E254 F258 Y259 D260	R252-T256 VanDerWaalsContact O-CB 3.26Å; R252-T256 WeakPolarHBondContact O-CB 3.25Å; R252-T256 PolarHBondContact O-N 3.45Å; R252-T256 PolarHBondContact O-OG1 3.33Å; R253-T256 PolarHBondContact O-N 2.93Å; E254-T256 VanDerWaalsContact C-N 3.27Å; E254-T256 PolarHBondContact O-N 3.34Å; T256-F258 VanDerWaalsContact C-N 3.34Å; T256-F258 PolarHBondContact O-N 3.37Å; T256-Y259 PolarHBondContact O-N 2.94Å; T256-D260 WeakPolarHBondContact O-CB 3.42Å; T256-D260 PolarHBondContact O-N 2.91Å
257	S	90.8	Very high	84.2	Confident	48 Å²	48	71.8 Å²	71.8	34%	0.336	34%	0.342	S	S	.	.	H	α-helix	trans	-58.6	-46.3	175	156.9	0	0	0	0	110.7	R253 Y259 D260 E261	R253-S257 WeakPolarHBondContact O-CB 3.45Å; R253-S257 PolarHBondContact O-N 3.12Å; S257-Y259 VanDerWaalsContact C-N 3.31Å; S257-Y259 PolarHBondContact O-N 3.38Å; S257-D260 PolarHBondContact O-N 2.84Å; S257-E261 VanDerWaalsContact O-CB 3.27Å; S257-E261 WeakPolarHBondContact O-CB 3.5Å; S257-E261 WeakPolarHBondContact O-CG 3.45Å; S257-E261 PolarHBondContact O-N 3.48Å; S257-E261 VanDerWaalsContact OG-CD 3.28Å; S257-E261 PolarHBondContact OG-OE1 3Å
258	F	88.4	Confident	82.1	Confident	9 Å²	9	75.3 Å²	75.3	4%	0.039	37%	0.369	C	S	.	.	H	α-helix	trans	-57.5	-42.7	175.8	-177.2	-98.9	0	0	0	112.9	L64 P89 E254 T256 E262 L263 A275 V281	L64-F258 HydrophobicContact CD1-CD2 4.37Å; L64-F258 HydrophobicContact CD1-CE1 4.15Å; L64-F258 HydrophobicContact CD1-CE2 3.81Å; L64-F258 HydrophobicContact CD1-CZ 3.71Å; L64-F258 HydrophobicContact CD2-CB 3.98Å; L64-F258 HydrophobicContact CD2-CD1 3.82Å; L64-F258 HydrophobicContact CD2-CD2 3.49Å; L64-F258 VanDerWaalsContact CD2-CD2 3.49Å; L64-F258 HydrophobicContact CD2-CE1 4.14Å; L64-F258 HydrophobicContact CD2-CE2 3.81Å; L64-F258 HydrophobicContact CD2-CG 3.48Å; L64-F258 VanDerWaalsContact CD2-CG 3.48Å; L64-F258 HydrophobicContact CD2-CZ 4.14Å; L64-F258 HydrophobicContact CG-CD2 3.8Å; L64-F258 HydrophobicContact CG-CE2 3.67Å; L64-F258 HydrophobicContact CG-CG 4.28Å; L64-F258 HydrophobicContact CG-CZ 4.07Å; P89-F258 HydrophobicContact CB-CE2 3.52Å; P89-F258 HydrophobicContact CB-CZ 3.81Å; P89-F258 HydrophobicContact CG-CE2 3.61Å; P89-F258 HydrophobicContact CG-CZ 4.39Å; E254-F258 WeakPolarHBondContact O-CB 3.36Å; E254-F258 PolarHBondContact O-N 3.45Å; T256-F258 VanDerWaalsContact C-N 3.34Å; T256-F258 PolarHBondContact O-N 3.37Å; F258-E262 HydrophobicContact CD2-CG 4.27Å; F258-E262 HydrophobicContact CE2-CB 4.43Å; F258-E262 HydrophobicContact CE2-CG 4.32Å; F258-E262 WeakPolarHBondContact O-CB 3.5Å; F258-E262 PolarHBondContact O-N 2.86Å; F258-L263 HydrophobicContact CD1-CD1 3.84Å; F258-L263 HydrophobicContact CD1-CG 4.2Å; F258-L263 HydrophobicContact CE1-CD1 3.67Å; F258-L263 HydrophobicContact CE1-CD2 4.31Å; F258-L263 HydrophobicContact CE1-CG 3.87Å; F258-A275 HydrophobicContact CZ-CB 3.96Å; F258-V281 HydrophobicContact CE1-CG1 4.43Å; F258-V281 HydrophobicContact CE1-CG2 4.45Å
259	Y	86.2	Confident	80	Confident	41 Å²	41	72.9 Å²	72.9	16%	0.161	37%	0.372	C	S	.	.	I	π-helix	trans	-68.7	-46.2	179.6	179.8	-94.8	0	0	0	112.6	I255 T256 S257 L263 R264 L288	I255-Y259 VanDerWaalsContact O-CB 3.28Å; I255-Y259 WeakPolarHBondContact O-CB 3.41Å; I255-Y259 PolarHBondContact O-N 3.26Å; T256-Y259 PolarHBondContact O-N 2.94Å; S257-Y259 VanDerWaalsContact C-N 3.31Å; S257-Y259 PolarHBondContact O-N 3.38Å; Y259-L263 HydrophobicContact CD2-CB 3.89Å; Y259-L263 HydrophobicContact CD2-CD1 3.77Å; Y259-L263 HydrophobicContact CE2-CB 4.37Å; Y259-L263 HydrophobicContact CG-CB 4.44Å; Y259-L263 WeakPolarHBondContact O-CB 3.26Å; Y259-L263 PolarHBondContact O-N 3.38Å; Y259-L263 VanDerWaalsContact O-N 3.16Å; Y259-R264 PolarHBondContact O-N 2.98Å; Y259-L288 HydrophobicContact CD1-CB 4.01Å; Y259-L288 HydrophobicContact CD1-CD2 4.5Å; Y259-L288 HydrophobicContact CD2-CB 3.83Å; Y259-L288 HydrophobicContact CD2-CD1 3.88Å; Y259-L288 HydrophobicContact CD2-CG 4.34Å; Y259-L288 HydrophobicContact CE1-CB 4.21Å; Y259-L288 VanDerWaalsContact CE1-O 3.26Å; Y259-L288 WeakPolarHBondContact CE1-O 3.46Å; Y259-L288 HydrophobicContact CE2-CB 4.04Å; Y259-L288 HydrophobicContact CG-CB 3.82Å; Y259-L288 HydrophobicContact CG-CD1 4.06Å; Y259-L288 HydrophobicContact CG-CD2 4.11Å; Y259-L288 HydrophobicContact CG-CG 4.2Å
260	D	85.5	Confident	77.8	Confident	51 Å²	51	70 Å²	70	27%	0.273	37%	0.374	S	S	.	.	I	π-helix	trans	-71.1	-35.3	-175.8	-68	-29.1	0	0	0	111.9	T256 S257 R295	T256-D260 WeakPolarHBondContact O-CB 3.42Å; T256-D260 PolarHBondContact O-N 2.91Å; S257-D260 PolarHBondContact O-N 2.84Å; D260-R295 IonicContact OD1-CZ 3.86Å; D260-R295 IonicContact OD1-NH1 2.88Å; D260-R295 PolarHBondContact OD1-NH1 3.23Å; D260-R295 IonicContact OD1-NH2 3.28Å; D260-R295 PolarHBondContact OD1-NH2 3.14Å; D260-R295 VanDerWaalsContact OD1-NH2 3.08Å; D260-R295 IonicContact OD2-CZ 3.13Å; D260-R295 IonicContact OD2-NH1 3.28Å; D260-R295 PolarHBondContact OD2-NH1 2.67Å
261	E	83.9	Confident	75.9	Confident	123 Å²	123	76.5 Å²	76.5	58%	0.575	40%	0.399	S	S	*	.	I	π-helix	trans	-83.6	-45.1	-178.9	-67.4	167.2	-149.5	0	0	113.1	S257	S257-E261 VanDerWaalsContact O-CB 3.27Å; S257-E261 WeakPolarHBondContact O-CB 3.5Å; S257-E261 WeakPolarHBondContact O-CG 3.45Å; S257-E261 PolarHBondContact O-N 3.48Å; S257-E261 VanDerWaalsContact OG-CD 3.28Å; S257-E261 PolarHBondContact OG-OE1 3Å
262	E	76	Confident	74.2	Confident	57 Å²	57	79.1 Å²	79.1	27%	0.266	42%	0.416	S	S	.	.	I	π-helix	trans	-105.9	-36.3	-167.9	-60.6	-76.6	154.4	0	0	112.9	P89 L90 F258	P89-E262 HydrophobicContact CB-CG 4.43Å; P89-E262 HydrophobicContact CG-CG 4.37Å; L90-E262 WeakPolarHBondContact CG-OE2 3.46Å; F258-E262 HydrophobicContact CD2-CG 4.27Å; F258-E262 HydrophobicContact CE2-CB 4.43Å; F258-E262 HydrophobicContact CE2-CG 4.32Å; F258-E262 WeakPolarHBondContact O-CB 3.5Å; F258-E262 PolarHBondContact O-N 2.86Å
263	L	71.6	Confident	73	Confident	22 Å²	22	81.8 Å²	81.8	12%	0.115	43%	0.429	C	S	.	.	I	π-helix	trans	-94.6	-30.3	-169.1	-69.2	175.5	0	0	0	114.3	F258 Y259 H265 L266 F276 V281	F258-L263 HydrophobicContact CD1-CD1 3.84Å; F258-L263 HydrophobicContact CD1-CG 4.2Å; F258-L263 HydrophobicContact CE1-CD1 3.67Å; F258-L263 HydrophobicContact CE1-CD2 4.31Å; F258-L263 HydrophobicContact CE1-CG 3.87Å; Y259-L263 HydrophobicContact CD2-CB 3.89Å; Y259-L263 HydrophobicContact CD2-CD1 3.77Å; Y259-L263 HydrophobicContact CE2-CB 4.37Å; Y259-L263 HydrophobicContact CG-CB 4.44Å; Y259-L263 WeakPolarHBondContact O-CB 3.26Å; Y259-L263 PolarHBondContact O-N 3.38Å; Y259-L263 VanDerWaalsContact O-N 3.16Å; L263-H265 PolarHBondContact O-N 2.96Å; L263-L266 HydrophobicContact CD2-CD1 3.84Å; L263-L266 PolarHBondContact O-N 3.1Å; L263-F276 HydrophobicContact CD1-CD2 3.84Å; L263-F276 HydrophobicContact CD1-CE2 4.07Å; L263-F276 HydrophobicContact CD2-CD2 3.87Å; L263-V281 HydrophobicContact CD1-CG1 3.96Å
264	R	67.6	Low	72.1	Confident	170 Å²	170	73.3 Å²	73.3	64%	0.642	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.4	-176.8	-165	172.2	-178.3	166.9	-0.6	113.2	Y259	Y259-R264 PolarHBondContact O-N 2.98Å
265	H	61.3	Low	71.4	Confident	159 Å²	159	72.2 Å²	72.2	74%	0.736	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-13.2	178.2	-61.9	-61.9	0	0	0	114.4	L263 G267	L263-H265 PolarHBondContact O-N 2.96Å; H265-G267 PolarHBondContact O-N 3.01Å
266	L	61.8	Low	70.7	Confident	73 Å²	73	74.3 Å²	74.3	38%	0.382	41%	0.405	S	S	.	.	S	Bend	trans	-84.8	99.1	175.8	-77	156.1	0	0	0	108.1	L90 F92 L263	L90-L266 HydrophobicContact CD2-CD1 3.63Å; L90-L266 HydrophobicContact CD2-CG 4.36Å; F92-L266 HydrophobicContact CE2-CD2 3.81Å; F92-L266 HydrophobicContact CZ-CD1 3.94Å; F92-L266 HydrophobicContact CZ-CD2 3.58Å; F92-L266 HydrophobicContact CZ-CG 4.44Å; L263-L266 HydrophobicContact CD2-CD1 3.84Å; L263-L266 PolarHBondContact O-N 3.1Å
267	G	53.5	Low	70.2	Confident	63 Å²	63	77.4 Å²	77.4	65%	0.649	42%	0.418	S	S	*	.			trans	-49.1	149.4	177.4	0	0	0	0	0	112.5	H265 D269	H265-G267 PolarHBondContact O-N 3.01Å; G267-D269 PolarHBondContact O-N 3.36Å
268	S	51.8	Low	69.9	Low	129 Å²	129	75.3 Å²	75.3	90%	0.902	40%	0.403	S	S	*	.	S	Bend	trans	-61	13.8	-173.4	-54.4	0	0	0	0	116.3	G270	S268-G270 PolarHBondContact O-N 2.94Å; S268-G270 VanDerWaalsContact O-N 3.07Å
269	D	49.8	Very low	69.8	Low	153 Å²	153	76.7 Å²	76.7	82%	0.818	41%	0.41	S	S	*	.			trans	-83.2	89.9	-174.3	-70.5	-19.4	0	0	0	111.6	G267	G267-D269 PolarHBondContact O-N 3.36Å
270	G	50	Low	69.8	Low	51 Å²	51	74.7 Å²	74.7	53%	0.526	40%	0.403	S	S	.	.	S	Bend	trans	73.2	101.8	141.6	0	0	0	0	0	117.2	S268	S268-G270 PolarHBondContact O-N 2.94Å; S268-G270 VanDerWaalsContact O-N 3.07Å
271	E	54	Low	69.8	Low	155 Å²	155	72.3 Å²	72.3	72%	0.724	39%	0.39	S	S	*	.	S	Bend	trans	72.3	134.4	171.5	-64.6	-162.4	159	0	0	118.3	K273	E271-K273 PolarHBondContact O-N 3.41Å; E271-K273 VanDerWaalsContact O-N 3.08Å
272	P	59.4	Low	70	Confident	56 Å²	56	70.1 Å²	70.1	36%	0.364	38%	0.379	S	S	.	.			trans	-46.9	111.8	164.4	-32.6	38.8	0	0	0	113.3	F276 Q277	P272-F276 HydrophobicContact CB-CD1 3.54Å; P272-F276 HydrophobicContact CB-CE1 4.24Å; P272-F276 HydrophobicContact CG-CD1 3.77Å; P272-F276 HydrophobicContact CG-CE1 3.95Å; P272-Q277 HydrophobicContact CB-CG 3.79Å; P272-Q277 VanDerWaalsContact O-CG 3.28Å; P272-Q277 WeakPolarHBondContact O-CG 3.42Å; P272-Q277 PolarHBondContact O-NE2 3.17Å
273	K	69	Low	70.7	Confident	113 Å²	113	69.3 Å²	69.3	49%	0.491	38%	0.375	S	S	.	.			trans	-112.9	146.2	172.9	-68	170.2	-170	160.6	0	110.9	F92 E271 A275 F276	F92-K273 HydrophobicContact CD1-CB 3.59Å; F92-K273 HydrophobicContact CE1-CB 3.85Å; E271-K273 PolarHBondContact O-N 3.41Å; E271-K273 VanDerWaalsContact O-N 3.08Å; K273-A275 PolarHBondContact O-N 3.32Å; K273-F276 WeakPolarHBondContact O-CB 3.48Å; K273-F276 PolarHBondContact O-N 3.36Å
274	G	74.6	Confident	71.6	Confident	12 Å²	12	68.2 Å²	68.2	12%	0.124	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	55.7	-128.3	175.4	0	0	0	0	0	113.7	Y61 F276 Q277	Y61-G274 WeakPolarHBondContact OH-CA 3.42Å; G274-F276 PolarHBondContact O-N 3.33Å; G274-F276 VanDerWaalsContact O-N 3.11Å; G274-Q277 WeakPolarHBondContact O-CB 3.13Å; G274-Q277 PolarHBondContact O-N 2.9Å; G274-Q277 VanDerWaalsContact O-N 3.07Å
275	A	79.8	Confident	72.6	Confident	2 Å²	2	61.9 Å²	61.9	2%	0.017	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-56.1	-26.8	-178.7	0	0	0	0	0	113.6	Y61 L64 P89 F258 K273 Q277 C278	Y61-A275 HydrophobicContact CD1-CB 3.89Å; Y61-A275 HydrophobicContact CD2-CB 4.06Å; Y61-A275 HydrophobicContact CE1-CB 4.17Å; Y61-A275 HydrophobicContact CE2-CB 4.33Å; Y61-A275 HydrophobicContact CG-CB 3.84Å; L64-A275 HydrophobicContact CD1-CB 3.97Å; P89-A275 HydrophobicContact CB-CB 4.44Å; F258-A275 HydrophobicContact CZ-CB 3.96Å; K273-A275 PolarHBondContact O-N 3.32Å; A275-Q277 PolarHBondContact O-N 3.36Å; A275-C278 WeakPolarHBondContact O-CB 3.19Å; A275-C278 PolarHBondContact O-N 3.36Å
276	F	78.4	Confident	73.9	Confident	46 Å²	46	58.5 Å²	58.5	20%	0.202	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-67.3	-17.4	179.3	-163.4	-95	0	0	0	113.6	L263 P272 K273 G274 C278 V281 L285	L263-F276 HydrophobicContact CD1-CD2 3.84Å; L263-F276 HydrophobicContact CD1-CE2 4.07Å; L263-F276 HydrophobicContact CD2-CD2 3.87Å; P272-F276 HydrophobicContact CB-CD1 3.54Å; P272-F276 HydrophobicContact CB-CE1 4.24Å; P272-F276 HydrophobicContact CG-CD1 3.77Å; P272-F276 HydrophobicContact CG-CE1 3.95Å; K273-F276 WeakPolarHBondContact O-CB 3.48Å; K273-F276 PolarHBondContact O-N 3.36Å; G274-F276 PolarHBondContact O-N 3.33Å; G274-F276 VanDerWaalsContact O-N 3.11Å; F276-C278 PolarHBondContact O-N 3.02Å; F276-V281 HydrophobicContact CD2-CG1 4Å; F276-V281 HydrophobicContact CE2-CG1 4.32Å; F276-L285 HydrophobicContact CE1-CD1 4.08Å; F276-L285 HydrophobicContact CE2-CD1 4.49Å; F276-L285 HydrophobicContact CE2-CD2 3.56Å; F276-L285 HydrophobicContact CZ-CD1 3.56Å; F276-L285 HydrophobicContact CZ-CD2 3.41Å; F276-L285 VanDerWaalsContact CZ-CD2 3.41Å; F276-L285 HydrophobicContact CZ-CG 4.04Å
277	Q	81.6	Confident	75.3	Confident	92 Å²	92	55.1 Å²	55.1	43%	0.43	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-71.2	-13.5	173.2	-63.7	-174.6	-2.6	0	0	112.7	P272 G274 A275 I279 K282	P272-Q277 HydrophobicContact CB-CG 3.79Å; P272-Q277 VanDerWaalsContact O-CG 3.28Å; P272-Q277 WeakPolarHBondContact O-CG 3.42Å; P272-Q277 PolarHBondContact O-NE2 3.17Å; G274-Q277 WeakPolarHBondContact O-CB 3.13Å; G274-Q277 PolarHBondContact O-N 2.9Å; G274-Q277 VanDerWaalsContact O-N 3.07Å; A275-Q277 PolarHBondContact O-N 3.36Å; Q277-I279 PolarHBondContact O-N 3.22Å; Q277-K282 PolarHBondContact O-NZ 3.02Å
278	C	84.3	Confident	77	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.027	29%	0.286	C	S	.	.	S	Bend	trans	-56.3	129.4	-178.8	-171	0	0	0	0	111.3	M58 A275 F276 G280 V281	M58-C278 HydrophobicContact CG-CB 4.25Å; M58-C278 WeakPolarHBondContact SD-CA 3.39Å; M58-C278 HydrophobicContact SD-CB 3.65Å; M58-C278 PolarHBondContact SD-N 3.09Å; A275-C278 WeakPolarHBondContact O-CB 3.19Å; A275-C278 PolarHBondContact O-N 3.36Å; F276-C278 PolarHBondContact O-N 3.02Å; C278-G280 PolarHBondContact O-N 3.45Å; C278-V281 HydrophobicContact CB-CG2 4.22Å; C278-V281 PolarHBondContact O-N 2.99Å
279	I	86.1	Confident	78.7	Confident	38 Å²	38	52.4 Å²	52.4	20%	0.195	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	117.7	167.6	-62.4	172.2	0	0	0	106.5	Q277 E283 L311 A314 Y318	Q277-I279 PolarHBondContact O-N 3.22Å; I279-E283 WeakPolarHBondContact CA-OE2 3.33Å; I279-L311 HydrophobicContact CG2-CD1 3.57Å; I279-A314 HydrophobicContact CG2-CB 3.83Å; I279-Y318 HydrophobicContact CD1-CD1 4.04Å; I279-Y318 HydrophobicContact CD1-CD2 4.19Å; I279-Y318 HydrophobicContact CD1-CG 3.68Å
280	G	85.5	Confident	80.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	114.3	-14.3	-175.5	0	0	0	0	0	115	C278 E283 F284	C278-G280 PolarHBondContact O-N 3.45Å; G280-E283 PolarHBondContact N-OE2 2.75Å; G280-F284 WeakPolarHBondContact O-CD2 3.06Å
281	V	86.1	Confident	82.5	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-53.4	167.3	177.9	0	0	0	0	109.3	L64 F258 L263 F276 C278 E283 F284	L64-V281 HydrophobicContact CD1-CG2 4.35Å; L64-V281 HydrophobicContact CD2-CG2 4.32Å; F258-V281 HydrophobicContact CE1-CG1 4.43Å; F258-V281 HydrophobicContact CE1-CG2 4.45Å; L263-V281 HydrophobicContact CD1-CG1 3.96Å; F276-V281 HydrophobicContact CD2-CG1 4Å; F276-V281 HydrophobicContact CE2-CG1 4.32Å; C278-V281 HydrophobicContact CB-CG2 4.22Å; C278-V281 PolarHBondContact O-N 2.99Å; V281-E283 VanDerWaalsContact C-N 3.31Å; V281-E283 PolarHBondContact O-N 2.77Å; V281-F284 PolarHBondContact O-N 2.95Å; V281-F284 VanDerWaalsContact O-N 3.07Å
282	K	87.3	Confident	84.1	Confident	77 Å²	77	43.5 Å²	43.5	34%	0.335	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-63.4	-32.6	-179.3	69.4	-170.4	179.2	-156.4	0	113.8	Q277 F284 L285	Q277-K282 PolarHBondContact O-NZ 3.02Å; K282-F284 PolarHBondContact O-N 3.31Å; K282-L285 HydrophobicContact CB-CD1 4.34Å; K282-L285 WeakPolarHBondContact O-CD1 3.3Å; K282-L285 WeakPolarHBondContact O-CG 3.5Å; K282-L285 PolarHBondContact O-N 3.14Å
283	E	91.2	Very high	85.5	Confident	39 Å²	39	46.9 Å²	46.9	18%	0.182	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-71.6	-17	177.5	-74.3	78.1	-165.4	0	0	113	I279 G280 V281 C307 L311 A314	I279-E283 WeakPolarHBondContact CA-OE2 3.33Å; G280-E283 PolarHBondContact N-OE2 2.75Å; V281-E283 VanDerWaalsContact C-N 3.31Å; V281-E283 PolarHBondContact O-N 2.77Å; E283-C307 WeakPolarHBondContact O-CB 3.49Å; E283-C307 PolarHBondContact O-SG 3.28Å; E283-L311 HydrophobicContact CB-CB 4.46Å; E283-A314 HydrophobicContact CG-CB 4.23Å; E283-A314 VanDerWaalsContact OE1-CB 3.25Å; E283-A314 WeakPolarHBondContact OE1-CB 3.38Å
284	F	91.6	Very high	86.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-102.1	6	179.7	-75.1	-96	0	0	0	113.3	L251 I255 G280 V281 K282 D286 F287 L288 F304 C307 L308 L311	L251-F284 HydrophobicContact CD2-CE2 4.46Å; L251-F284 HydrophobicContact CD2-CZ 4.08Å; I255-F284 HydrophobicContact CD1-CB 3.83Å; I255-F284 HydrophobicContact CD1-CD1 3.32Å; I255-F284 HydrophobicContact CD1-CD2 4.07Å; I255-F284 HydrophobicContact CD1-CE1 3.8Å; I255-F284 HydrophobicContact CD1-CE2 4.43Å; I255-F284 HydrophobicContact CD1-CG 3.45Å; I255-F284 VanDerWaalsContact CD1-CG 3.45Å; I255-F284 HydrophobicContact CD1-CZ 4.3Å; G280-F284 WeakPolarHBondContact O-CD2 3.06Å; V281-F284 PolarHBondContact O-N 2.95Å; V281-F284 VanDerWaalsContact O-N 3.07Å; K282-F284 PolarHBondContact O-N 3.31Å; F284-D286 VanDerWaalsContact C-N 3.29Å; F284-D286 PolarHBondContact O-N 3.47Å; F284-F287 WeakPolarHBondContact O-CA 3.29Å; F284-F287 WeakPolarHBondContact O-CB 3.25Å; F284-F287 PolarHBondContact O-N 3.19Å; F284-L288 HydrophobicContact CB-CD1 4.07Å; F284-L288 HydrophobicContact CB-CG 4.25Å; F284-L288 WeakPolarHBondContact O-CB 3.42Å; F284-L288 VanDerWaalsContact O-CG 3.26Å; F284-L288 WeakPolarHBondContact O-CG 3.4Å; F284-L288 PolarHBondContact O-N 3.27Å; F284-F304 AromaticContact CD1-CD2 3.87Å; F284-F304 HydrophobicContact CD1-CD2 3.87Å; F284-F304 AromaticContact CD1-CE2 3.79Å; F284-F304 HydrophobicContact CD1-CE2 3.79Å; F284-F304 AromaticContact CE1-CD2 3.56Å; F284-F304 HydrophobicContact CE1-CD2 3.56Å; F284-F304 HydrophobicContact CE1-CE1 4.34Å; F284-F304 AromaticContact CE1-CE2 3.3Å; F284-F304 HydrophobicContact CE1-CE2 3.3Å; F284-F304 HydrophobicContact CE1-CG 4.18Å; F284-F304 AromaticContact CE1-CZ 3.71Å; F284-F304 HydrophobicContact CE1-CZ 3.71Å; F284-F304 HydrophobicContact CZ-CE2 4.27Å; F284-F304 HydrophobicContact CZ-CZ 4.32Å; F284-C307 HydrophobicContact CD1-CB 3.5Å; F284-C307 HydrophobicContact CD2-CB 4.33Å; F284-C307 HydrophobicContact CE1-CB 3.61Å; F284-C307 HydrophobicContact CE2-CB 4.46Å; F284-C307 HydrophobicContact CG-CB 3.92Å; F284-C307 HydrophobicContact CZ-CB 4.14Å; F284-L308 HydrophobicContact CE1-CD2 4.46Å; F284-L308 HydrophobicContact CE1-CG 4.47Å; F284-L308 HydrophobicContact CZ-CD2 3.78Å; F284-L308 HydrophobicContact CZ-CG 4.16Å; F284-L311 HydrophobicContact CE2-CB 4.15Å; F284-L311 HydrophobicContact CE2-CD2 3.91Å; F284-L311 HydrophobicContact CZ-CD2 4.37Å
285	L	87.7	Confident	87.3	Confident	37 Å²	37	42.9 Å²	42.9	19%	0.194	22%	0.222	C	C	.	.	H	α-helix	trans	-56.3	-42.8	-179.6	-68.3	169.7	0	0	0	112.8	F276 K282 F287 L288 Q289	F276-L285 HydrophobicContact CE1-CD1 4.08Å; F276-L285 HydrophobicContact CE2-CD1 4.49Å; F276-L285 HydrophobicContact CE2-CD2 3.56Å; F276-L285 HydrophobicContact CZ-CD1 3.56Å; F276-L285 HydrophobicContact CZ-CD2 3.41Å; F276-L285 VanDerWaalsContact CZ-CD2 3.41Å; F276-L285 HydrophobicContact CZ-CG 4.04Å; K282-L285 HydrophobicContact CB-CD1 4.34Å; K282-L285 WeakPolarHBondContact O-CD1 3.3Å; K282-L285 WeakPolarHBondContact O-CG 3.5Å; K282-L285 PolarHBondContact O-N 3.14Å; L285-F287 PolarHBondContact O-N 3.11Å; L285-L288 PolarHBondContact O-N 2.96Å; L285-Q289 WeakPolarHBondContact O-CB 3.39Å; L285-Q289 VanDerWaalsContact O-CG 3.29Å; L285-Q289 WeakPolarHBondContact O-CG 3.41Å; L285-Q289 PolarHBondContact O-N 3.42Å
286	D	88.3	Confident	87.7	Confident	88 Å²	88	48.8 Å²	48.8	47%	0.471	25%	0.254	S	S	.	.	H	α-helix	trans	-55.1	-38.9	175.6	-69.6	8	0	0	0	112.3	F284 L290 V303 R306	F284-D286 VanDerWaalsContact C-N 3.29Å; F284-D286 PolarHBondContact O-N 3.47Å; D286-L290 WeakPolarHBondContact O-CG 3.4Å; D286-V303 HydrophobicContact CB-CG1 4.08Å; D286-R306 IonicContact OD2-CZ 3.29Å; D286-R306 IonicContact OD2-NH2 2.66Å; D286-R306 PolarHBondContact OD2-NH2 3.17Å
287	F	91.9	Very high	88.4	Confident	1 Å²	1	48.3 Å²	48.3	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-77.1	-43.9	177.9	171	-100.3	0	0	0	111.6	R252 F284 L285 Q289 L290 R295 G300 V303 F304	R252-F287 HydrophobicContact CG-CE1 4.37Å; R252-F287 HydrophobicContact CG-CZ 4.21Å; F284-F287 WeakPolarHBondContact O-CA 3.29Å; F284-F287 WeakPolarHBondContact O-CB 3.25Å; F284-F287 PolarHBondContact O-N 3.19Å; L285-F287 PolarHBondContact O-N 3.11Å; F287-Q289 VanDerWaalsContact C-N 3.29Å; F287-Q289 PolarHBondContact O-N 3.22Å; F287-L290 HydrophobicContact CD2-CD1 4.35Å; F287-L290 WeakPolarHBondContact O-CB 3.46Å; F287-L290 PolarHBondContact O-N 3.03Å; F287-L290 VanDerWaalsContact O-N 3.17Å; F287-R295 HydrophobicContact CE2-CB 4.05Å; F287-R295 HydrophobicContact CE2-CG 4.32Å; F287-R295 HydrophobicContact CZ-CB 3.95Å; F287-R295 HydrophobicContact CZ-CG 4.23Å; F287-G300 WeakPolarHBondContact CD2-O 3.39Å; F287-V303 HydrophobicContact CB-CG1 3.99Å; F287-F304 HydrophobicContact CD1-CD2 4.01Å; F287-F304 HydrophobicContact CD2-CB 3.98Å; F287-F304 HydrophobicContact CD2-CD2 4.12Å; F287-F304 AromaticContact CE1-CD2 3.97Å; F287-F304 HydrophobicContact CE1-CD2 3.97Å; F287-F304 HydrophobicContact CE1-CE2 4.42Å; F287-F304 HydrophobicContact CE2-CB 4.14Å; F287-F304 HydrophobicContact CE2-CD2 4.08Å; F287-F304 HydrophobicContact CG-CD2 4.09Å; F287-F304 HydrophobicContact CZ-CD2 4.01Å
288	L	88.9	Confident	88.9	Confident	1 Å²	1	49 Å²	49	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-69.4	-26	-177.2	-65.7	169.8	0	0	0	112.5	I255 Y259 F284 L285 L290 R295	I255-L288 HydrophobicContact CG1-CD2 4.3Å; Y259-L288 HydrophobicContact CD1-CB 4.01Å; Y259-L288 HydrophobicContact CD1-CD2 4.5Å; Y259-L288 HydrophobicContact CD2-CB 3.83Å; Y259-L288 HydrophobicContact CD2-CD1 3.88Å; Y259-L288 HydrophobicContact CD2-CG 4.34Å; Y259-L288 HydrophobicContact CE1-CB 4.21Å; Y259-L288 VanDerWaalsContact CE1-O 3.26Å; Y259-L288 WeakPolarHBondContact CE1-O 3.46Å; Y259-L288 HydrophobicContact CE2-CB 4.04Å; Y259-L288 HydrophobicContact CG-CB 3.82Å; Y259-L288 HydrophobicContact CG-CD1 4.06Å; Y259-L288 HydrophobicContact CG-CD2 4.11Å; Y259-L288 HydrophobicContact CG-CG 4.2Å; F284-L288 HydrophobicContact CB-CD1 4.07Å; F284-L288 HydrophobicContact CB-CG 4.25Å; F284-L288 WeakPolarHBondContact O-CB 3.42Å; F284-L288 VanDerWaalsContact O-CG 3.26Å; F284-L288 WeakPolarHBondContact O-CG 3.4Å; F284-L288 PolarHBondContact O-N 3.27Å; L285-L288 PolarHBondContact O-N 2.96Å; L288-L290 VanDerWaalsContact C-N 3.29Å; L288-R295 PolarHBondContact O-NE 3.37Å; L288-R295 PolarHBondContact O-NH2 3.12Å
289	Q	88.2	Confident	89.2	Confident	134 Å²	134	54.2 Å²	54.2	63%	0.626	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.1	175	-72.4	177.3	-16.2	0	0	113.4	L285 F287	L285-Q289 WeakPolarHBondContact O-CB 3.39Å; L285-Q289 VanDerWaalsContact O-CG 3.29Å; L285-Q289 WeakPolarHBondContact O-CG 3.41Å; L285-Q289 PolarHBondContact O-N 3.42Å; F287-Q289 VanDerWaalsContact C-N 3.29Å; F287-Q289 PolarHBondContact O-N 3.22Å
290	L	89.9	Confident	89.5	Confident	30 Å²	30	52.4 Å²	52.4	16%	0.157	29%	0.286	C	S	.	.	S	Bend	trans	-65.1	144.9	174.5	-63.1	173.7	0	0	0	110.5	D286 F287 L288 V294 R295 V303	D286-L290 WeakPolarHBondContact O-CG 3.4Å; F287-L290 HydrophobicContact CD2-CD1 4.35Å; F287-L290 WeakPolarHBondContact O-CB 3.46Å; F287-L290 PolarHBondContact O-N 3.03Å; F287-L290 VanDerWaalsContact O-N 3.17Å; L288-L290 VanDerWaalsContact C-N 3.29Å; L290-V294 HydrophobicContact CB-CB 4.41Å; L290-V294 HydrophobicContact CB-CG1 4.46Å; L290-V294 HydrophobicContact CD1-CG1 4.32Å; L290-V294 HydrophobicContact CD2-CG1 4.39Å; L290-R295 HydrophobicContact CB-CG 3.93Å; L290-R295 PolarHBondContact O-NE 3.36Å; L290-V303 HydrophobicContact CD1-CB 4.17Å; L290-V303 HydrophobicContact CD1-CG1 4.28Å; L290-V303 HydrophobicContact CD1-CG2 4.19Å
291	P	88.5	Confident	89.9	Confident	67 Å²	67	56.2 Å²	56.2	44%	0.435	31%	0.306	S	S	.	.			trans	-53.4	142.4	170.3	-26.7	35.9	0	0	0	111.3	N293 V294 R295	P291-N293 WeakPolarHBondContact CB-OD1 3.47Å; P291-N293 PolarHBondContact O-N 2.83Å; P291-N293 VanDerWaalsContact O-N 3.1Å; P291-V294 HydrophobicContact CB-CB 4.48Å; P291-V294 HydrophobicContact CB-CG2 4.08Å; P291-V294 HydrophobicContact CG-CG2 4.18Å; P291-V294 WeakPolarHBondContact O-CA 3.18Å; P291-V294 PolarHBondContact O-N 3.01Å; P291-R295 PolarHBondContact O-N 3.13Å
292	P	88.1	Confident	90.2	Very high	76 Å²	76	59.3 Å²	59.3	49%	0.494	33%	0.332	S	S	.	.	H	α-helix	trans	-52.3	-37	-177	-29.7	35.8	0	0	0	114.4	V294 R295	P292-V294 VanDerWaalsContact C-N 3.31Å; P292-V294 PolarHBondContact O-N 2.81Å; P292-R295 PolarHBondContact O-N 3.19Å
293	N	89	Confident	90.5	Very high	126 Å²	126	56.4 Å²	56.4	67%	0.674	32%	0.32	S	S	*	.	H	α-helix	trans	-67.6	-27.5	176.3	62.2	-53.7	0	0	0	113.8	P291	P291-N293 WeakPolarHBondContact CB-OD1 3.47Å; P291-N293 PolarHBondContact O-N 2.83Å; P291-N293 VanDerWaalsContact O-N 3.1Å
294	V	90.8	Very high	90.7	Very high	28 Å²	28	55 Å²	55	17%	0.17	31%	0.314	C	S	.	.	H	α-helix	trans	-84.3	-31.6	177.5	-178.2	0	0	0	0	110.7	L290 P291 P292 D296 S297 E299 G300	L290-V294 HydrophobicContact CB-CB 4.41Å; L290-V294 HydrophobicContact CB-CG1 4.46Å; L290-V294 HydrophobicContact CD1-CG1 4.32Å; L290-V294 HydrophobicContact CD2-CG1 4.39Å; P291-V294 HydrophobicContact CB-CB 4.48Å; P291-V294 HydrophobicContact CB-CG2 4.08Å; P291-V294 HydrophobicContact CG-CG2 4.18Å; P291-V294 WeakPolarHBondContact O-CA 3.18Å; P291-V294 PolarHBondContact O-N 3.01Å; P292-V294 VanDerWaalsContact C-N 3.31Å; P292-V294 PolarHBondContact O-N 2.81Å; V294-D296 PolarHBondContact O-N 3.25Å; V294-S297 WeakPolarHBondContact O-CB 3.47Å; V294-S297 PolarHBondContact O-N 3.49Å; V294-S297 PolarHBondContact O-OG 3.21Å; V294-E299 HydrophobicContact CG1-CB 4.28Å; V294-E299 HydrophobicContact CG1-CG 4.35Å; V294-G300 WeakPolarHBondContact O-CA 3.34Å; V294-G300 PolarHBondContact O-N 2.92Å
295	R	89.7	Confident	90.8	Very high	13 Å²	13	59.5 Å²	59.5	5%	0.049	34%	0.335	C	S	.	.	H	α-helix	trans	-54.8	-39.9	178	-66.6	-179.8	-167.2	163.9	-2.2	111.5	R252 D260 F287 L288 L290 P291 P292 S297 G300	R252-R295 PolarHBondContact NH2-O 3.19Å; D260-R295 IonicContact OD1-CZ 3.86Å; D260-R295 IonicContact OD1-NH1 2.88Å; D260-R295 PolarHBondContact OD1-NH1 3.23Å; D260-R295 IonicContact OD1-NH2 3.28Å; D260-R295 PolarHBondContact OD1-NH2 3.14Å; D260-R295 VanDerWaalsContact OD1-NH2 3.08Å; D260-R295 IonicContact OD2-CZ 3.13Å; D260-R295 IonicContact OD2-NH1 3.28Å; D260-R295 PolarHBondContact OD2-NH1 2.67Å; F287-R295 HydrophobicContact CE2-CB 4.05Å; F287-R295 HydrophobicContact CE2-CG 4.32Å; F287-R295 HydrophobicContact CZ-CB 3.95Å; F287-R295 HydrophobicContact CZ-CG 4.23Å; L288-R295 PolarHBondContact O-NE 3.37Å; L288-R295 PolarHBondContact O-NH2 3.12Å; L290-R295 HydrophobicContact CB-CG 3.93Å; L290-R295 PolarHBondContact O-NE 3.36Å; P291-R295 PolarHBondContact O-N 3.13Å; P292-R295 PolarHBondContact O-N 3.19Å; R295-S297 VanDerWaalsContact C-N 3.33Å; R295-G300 WeakPolarHBondContact O-CA 3.35Å
296	D	88.8	Confident	91.1	Very high	127 Å²	127	64.5 Å²	64.5	68%	0.679	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	10.3	179.8	-62.2	-32.7	0	0	0	114.6	R252 V294	R252-D296 IonicContact CZ-OD1 2.86Å; R252-D296 IonicContact NH2-OD1 3.06Å; R252-D296 PolarHBondContact NH2-OD1 3.11Å; V294-D296 PolarHBondContact O-N 3.25Å
297	S	92.2	Very high	91.4	Very high	36 Å²	36	60.6 Å²	60.6	25%	0.252	33%	0.33	S	S	.	.	S	Bend	trans	-91.9	169.5	172.9	77.3	0	0	0	0	112	V294 R295 E299 G300 D301	V294-S297 WeakPolarHBondContact O-CB 3.47Å; V294-S297 PolarHBondContact O-N 3.49Å; V294-S297 PolarHBondContact O-OG 3.21Å; R295-S297 VanDerWaalsContact C-N 3.33Å; S297-E299 PolarHBondContact O-N 3.09Å; S297-E299 WeakPolarHBondContact OG-CB 3.49Å; S297-E299 PolarHBondContact OG-N 3Å; S297-G300 PolarHBondContact O-N 3.09Å; S297-G300 PolarHBondContact OG-N 3.31Å; S297-D301 PolarHBondContact O-N 2.88Å; S297-D301 VanDerWaalsContact O-N 3.09Å
298	S	91.9	Very high	91.5	Very high	105 Å²	105	60.7 Å²	60.7	73%	0.734	33%	0.331	S	S	*	.	H	α-helix	trans	-58.1	-28.8	171.9	53.6	0	0	0	0	113.1	A302	S298-A302 PolarHBondContact O-N 3.06Å; S298-A302 VanDerWaalsContact O-N 3.16Å
299	E	92	Very high	91.7	Very high	115 Å²	115	63.8 Å²	63.8	54%	0.537	35%	0.348	S	S	.	.	H	α-helix	trans	-66.8	-45.1	173	-174.4	-179.6	176.5	0	0	111	V294 S297 D301 A302 V303	V294-E299 HydrophobicContact CG1-CB 4.28Å; V294-E299 HydrophobicContact CG1-CG 4.35Å; S297-E299 PolarHBondContact O-N 3.09Å; S297-E299 WeakPolarHBondContact OG-CB 3.49Å; S297-E299 PolarHBondContact OG-N 3Å; E299-D301 VanDerWaalsContact C-N 3.32Å; E299-D301 PolarHBondContact O-N 3.27Å; E299-A302 PolarHBondContact O-N 3.03Å; E299-V303 WeakPolarHBondContact O-CG2 3.46Å; E299-V303 PolarHBondContact O-N 2.91Å
300	G	92.4	Very high	92	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.2	-40.9	176.4	0	0	0	0	0	112.5	F287 V294 R295 S297 V303 F304	F287-G300 WeakPolarHBondContact CD2-O 3.39Å; V294-G300 WeakPolarHBondContact O-CA 3.34Å; V294-G300 PolarHBondContact O-N 2.92Å; R295-G300 WeakPolarHBondContact O-CA 3.35Å; S297-G300 PolarHBondContact O-N 3.09Å; S297-G300 PolarHBondContact OG-N 3.31Å; G300-V303 PolarHBondContact O-N 3.06Å; G300-F304 VanDerWaalsContact O-CB 3.31Å; G300-F304 WeakPolarHBondContact O-CB 3.15Å; G300-F304 PolarHBondContact O-N 2.86Å
301	D	93.1	Very high	92.2	Very high	79 Å²	79	57.7 Å²	57.7	42%	0.422	33%	0.327	S	S	.	.	H	α-helix	trans	-62.5	-43	175.2	-70.6	-18.6	0	0	0	112.4	R252 S297 E299 V303 F304 E305	R252-D301 IonicContact CZ-OD1 3.99Å; R252-D301 IonicContact NH1-OD1 3.08Å; R252-D301 PolarHBondContact NH1-OD1 3.11Å; R252-D301 IonicContact NH2-OD1 3.58Å; S297-D301 PolarHBondContact O-N 2.88Å; S297-D301 VanDerWaalsContact O-N 3.09Å; E299-D301 VanDerWaalsContact C-N 3.32Å; E299-D301 PolarHBondContact O-N 3.27Å; D301-V303 PolarHBondContact O-N 3.04Å; D301-F304 PolarHBondContact O-N 2.97Å; D301-E305 PolarHBondContact O-N 2.75Å
302	A	93.6	Very high	92.5	Very high	66 Å²	66	55.6 Å²	55.6	55%	0.545	31%	0.311	S	S	.	.	H	α-helix	trans	-64.1	-40.6	177.2	0	0	0	0	0	112.1	S298 E299 R306	S298-A302 PolarHBondContact O-N 3.06Å; S298-A302 VanDerWaalsContact O-N 3.16Å; E299-A302 PolarHBondContact O-N 3.03Å; A302-R306 PolarHBondContact O-N 3.38Å; A302-R306 VanDerWaalsContact O-N 3.16Å
303	V	93.5	Very high	92.7	Very high	16 Å²	16	55.8 Å²	55.8	10%	0.097	31%	0.307	C	S	.	.	H	α-helix	trans	-67.3	-41.6	175	178.4	0	0	0	0	110.6	D286 F287 L290 E299 G300 D301 E305 R306 C307	D286-V303 HydrophobicContact CB-CG1 4.08Å; F287-V303 HydrophobicContact CB-CG1 3.99Å; L290-V303 HydrophobicContact CD1-CB 4.17Å; L290-V303 HydrophobicContact CD1-CG1 4.28Å; L290-V303 HydrophobicContact CD1-CG2 4.19Å; E299-V303 WeakPolarHBondContact O-CG2 3.46Å; E299-V303 PolarHBondContact O-N 2.91Å; G300-V303 PolarHBondContact O-N 3.06Å; D301-V303 PolarHBondContact O-N 3.04Å; V303-E305 PolarHBondContact O-N 3.23Å; V303-R306 WeakPolarHBondContact O-CB 3.46Å; V303-R306 PolarHBondContact O-N 3.05Å; V303-R306 VanDerWaalsContact O-N 3.16Å; V303-C307 PolarHBondContact O-N 3.38Å; V303-C307 PolarHBondContact O-SG 3.49Å
304	F	94.6	Very high	92.9	Very high	10 Å²	10	50.5 Å²	50.5	4%	0.044	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-44.6	177.4	-169.8	-94.4	0	0	0	112	V247 R252 I255 F284 F287 G300 D301 R306 C307 L308	V247-F304 HydrophobicContact CG2-CE1 4.37Å; R252-F304 HydrophobicContact CB-CE2 3.64Å; R252-F304 HydrophobicContact CB-CZ 3.64Å; R252-F304 HydrophobicContact CG-CD2 4.26Å; R252-F304 HydrophobicContact CG-CE2 3.75Å; R252-F304 HydrophobicContact CG-CZ 4.2Å; I255-F304 HydrophobicContact CD1-CE2 3.95Å; F284-F304 AromaticContact CD1-CD2 3.87Å; F284-F304 HydrophobicContact CD1-CD2 3.87Å; F284-F304 AromaticContact CD1-CE2 3.79Å; F284-F304 HydrophobicContact CD1-CE2 3.79Å; F284-F304 AromaticContact CE1-CD2 3.56Å; F284-F304 HydrophobicContact CE1-CD2 3.56Å; F284-F304 HydrophobicContact CE1-CE1 4.34Å; F284-F304 AromaticContact CE1-CE2 3.3Å; F284-F304 HydrophobicContact CE1-CE2 3.3Å; F284-F304 HydrophobicContact CE1-CG 4.18Å; F284-F304 AromaticContact CE1-CZ 3.71Å; F284-F304 HydrophobicContact CE1-CZ 3.71Å; F284-F304 HydrophobicContact CZ-CE2 4.27Å; F284-F304 HydrophobicContact CZ-CZ 4.32Å; F287-F304 HydrophobicContact CD1-CD2 4.01Å; F287-F304 HydrophobicContact CD2-CB 3.98Å; F287-F304 HydrophobicContact CD2-CD2 4.12Å; F287-F304 AromaticContact CE1-CD2 3.97Å; F287-F304 HydrophobicContact CE1-CD2 3.97Å; F287-F304 HydrophobicContact CE1-CE2 4.42Å; F287-F304 HydrophobicContact CE2-CB 4.14Å; F287-F304 HydrophobicContact CE2-CD2 4.08Å; F287-F304 HydrophobicContact CG-CD2 4.09Å; F287-F304 HydrophobicContact CZ-CD2 4.01Å; G300-F304 VanDerWaalsContact O-CB 3.31Å; G300-F304 WeakPolarHBondContact O-CB 3.15Å; G300-F304 PolarHBondContact O-N 2.86Å; D301-F304 PolarHBondContact O-N 2.97Å; F304-R306 VanDerWaalsContact C-N 3.32Å; F304-R306 PolarHBondContact O-N 3.25Å; F304-C307 WeakPolarHBondContact O-CB 3.23Å; F304-C307 PolarHBondContact O-N 2.77Å; F304-C307 VanDerWaalsContact O-N 3.16Å; F304-L308 HydrophobicContact CD1-CD1 3.79Å; F304-L308 HydrophobicContact CD1-CG 4.11Å; F304-L308 HydrophobicContact CE1-CD1 3.66Å; F304-L308 HydrophobicContact CE1-CD2 4.18Å; F304-L308 HydrophobicContact CE1-CG 3.92Å; F304-L308 WeakPolarHBondContact O-CG 3.43Å; F304-L308 PolarHBondContact O-N 2.87Å
305	E	94	Very high	93.1	Very high	94 Å²	94	50 Å²	50	44%	0.439	28%	0.278	S	S	.	.	H	α-helix	trans	-62.4	-37.6	174.6	-81.3	-60.6	138.5	0	0	112.7	D301 V303 L308 N309	D301-E305 PolarHBondContact O-N 2.75Å; V303-E305 PolarHBondContact O-N 3.23Å; E305-L308 PolarHBondContact O-N 3.38Å; E305-L308 WeakPolarHBondContact OE1-CD1 3.36Å; E305-N309 PolarHBondContact O-N 3.21Å; E305-N309 VanDerWaalsContact O-N 3.17Å; E305-N309 PolarHBondContact O-ND2 2.54Å
306	R	93.9	Very high	93.3	Very high	143 Å²	143	49.8 Å²	49.8	54%	0.54	28%	0.279	S	S	.	.	H	α-helix	trans	-62.9	-44.5	172.6	-170.9	178.5	72.4	-160	5.6	111.1	D286 A302 V303 F304 L308 N309 G310	D286-R306 IonicContact OD2-CZ 3.29Å; D286-R306 IonicContact OD2-NH2 2.66Å; D286-R306 PolarHBondContact OD2-NH2 3.17Å; A302-R306 PolarHBondContact O-N 3.38Å; A302-R306 VanDerWaalsContact O-N 3.16Å; V303-R306 WeakPolarHBondContact O-CB 3.46Å; V303-R306 PolarHBondContact O-N 3.05Å; V303-R306 VanDerWaalsContact O-N 3.16Å; F304-R306 VanDerWaalsContact C-N 3.32Å; F304-R306 PolarHBondContact O-N 3.25Å; R306-L308 PolarHBondContact O-N 2.79Å; R306-N309 PolarHBondContact O-N 2.73Å; R306-G310 PolarHBondContact O-N 3.43Å
307	C	94.3	Very high	93.5	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.034	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-40.1	175.7	-68.7	0	0	0	0	112	E283 F284 V303 F304 N309 G310 L311	E283-C307 WeakPolarHBondContact O-CB 3.49Å; E283-C307 PolarHBondContact O-SG 3.28Å; F284-C307 HydrophobicContact CD1-CB 3.5Å; F284-C307 HydrophobicContact CD2-CB 4.33Å; F284-C307 HydrophobicContact CE1-CB 3.61Å; F284-C307 HydrophobicContact CE2-CB 4.46Å; F284-C307 HydrophobicContact CG-CB 3.92Å; F284-C307 HydrophobicContact CZ-CB 4.14Å; V303-C307 PolarHBondContact O-N 3.38Å; V303-C307 PolarHBondContact O-SG 3.49Å; F304-C307 WeakPolarHBondContact O-CB 3.23Å; F304-C307 PolarHBondContact O-N 2.77Å; F304-C307 VanDerWaalsContact O-N 3.16Å; C307-N309 PolarHBondContact O-N 3.45Å; C307-G310 CarbonylContact O-C 3.57Å; C307-G310 WeakPolarHBondContact O-CA 3.27Å; C307-G310 PolarHBondContact O-N 3.48Å; C307-G310 VanDerWaalsContact O-N 3.11Å; C307-L311 PolarHBondContact O-N 3.43Å
308	L	94.8	Very high	93.5	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-60.9	-41.2	175.3	-74.7	172.3	0	0	0	112.7	I243 V247 L251 F284 F304 E305 R306 G310 L311 H312	I243-L308 HydrophobicContact CG2-CD2 3.62Å; V247-L308 HydrophobicContact CG2-CD1 3.93Å; V247-L308 HydrophobicContact CG2-CD2 3.54Å; V247-L308 HydrophobicContact CG2-CG 4.41Å; L251-L308 HydrophobicContact CD2-CD2 4.18Å; F284-L308 HydrophobicContact CE1-CD2 4.46Å; F284-L308 HydrophobicContact CE1-CG 4.47Å; F284-L308 HydrophobicContact CZ-CD2 3.78Å; F284-L308 HydrophobicContact CZ-CG 4.16Å; F304-L308 HydrophobicContact CD1-CD1 3.79Å; F304-L308 HydrophobicContact CD1-CG 4.11Å; F304-L308 HydrophobicContact CE1-CD1 3.66Å; F304-L308 HydrophobicContact CE1-CD2 4.18Å; F304-L308 HydrophobicContact CE1-CG 3.92Å; F304-L308 WeakPolarHBondContact O-CG 3.43Å; F304-L308 PolarHBondContact O-N 2.87Å; E305-L308 PolarHBondContact O-N 3.38Å; E305-L308 WeakPolarHBondContact OE1-CD1 3.36Å; R306-L308 PolarHBondContact O-N 2.79Å; L308-G310 VanDerWaalsContact C-N 3.32Å; L308-L311 WeakPolarHBondContact O-CB 3.44Å; L308-L311 PolarHBondContact O-N 3.16Å; L308-H312 WeakPolarHBondContact O-CB 3.47Å; L308-H312 PolarHBondContact O-N 3.43Å
309	N	93	Very high	93.6	Very high	67 Å²	67	44.7 Å²	44.7	36%	0.358	23%	0.233	S	C	.	.	H	α-helix	trans	-66.5	-36.4	174.6	-69.2	-56.2	0	0	0	111.7	R240 E305 R306 C307 L313	R240-N309 PolarHBondContact NH1-OD1 3.06Å; E305-N309 PolarHBondContact O-N 3.21Å; E305-N309 VanDerWaalsContact O-N 3.17Å; E305-N309 PolarHBondContact O-ND2 2.54Å; R306-N309 PolarHBondContact O-N 2.73Å; C307-N309 PolarHBondContact O-N 3.45Å; N309-L313 PolarHBondContact O-N 3.44Å; N309-L313 VanDerWaalsContact O-N 3.08Å
310	G	93.9	Very high	93.7	Very high	31 Å²	31	42.7 Å²	42.7	32%	0.32	22%	0.222	S	C	.	.	H	α-helix	trans	-61.7	-48	171.5	0	0	0	0	0	112.6	R306 C307 L308 H312 L313 A314	R306-G310 PolarHBondContact O-N 3.43Å; C307-G310 CarbonylContact O-C 3.57Å; C307-G310 WeakPolarHBondContact O-CA 3.27Å; C307-G310 PolarHBondContact O-N 3.48Å; C307-G310 VanDerWaalsContact O-N 3.11Å; L308-G310 VanDerWaalsContact C-N 3.32Å; G310-H312 PolarHBondContact O-N 2.85Å; G310-L313 PolarHBondContact O-N 3.05Å; G310-A314 WeakPolarHBondContact O-CB 3.46Å; G310-A314 PolarHBondContact O-N 3.31Å
311	L	94.3	Very high	93.7	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-54.8	-52.6	174.7	171	57.5	0	0	0	110.5	I243 L251 I279 E283 F284 C307 L308 L313 A314 T315	I243-L311 HydrophobicContact CD1-CD2 4.23Å; I243-L311 HydrophobicContact CD1-CG 3.88Å; I243-L311 HydrophobicContact CG1-CD2 4.06Å; I243-L311 HydrophobicContact CG1-CG 4.24Å; I243-L311 HydrophobicContact CG2-CD2 4.1Å; L251-L311 HydrophobicContact CD2-CD2 4.24Å; I279-L311 HydrophobicContact CG2-CD1 3.57Å; E283-L311 HydrophobicContact CB-CB 4.46Å; F284-L311 HydrophobicContact CE2-CB 4.15Å; F284-L311 HydrophobicContact CE2-CD2 3.91Å; F284-L311 HydrophobicContact CZ-CD2 4.37Å; C307-L311 PolarHBondContact O-N 3.43Å; L308-L311 WeakPolarHBondContact O-CB 3.44Å; L308-L311 PolarHBondContact O-N 3.16Å; L311-L313 VanDerWaalsContact C-N 3.34Å; L311-L313 PolarHBondContact O-N 3.49Å; L311-A314 PolarHBondContact O-N 2.94Å; L311-A314 VanDerWaalsContact O-N 3.12Å; L311-T315 PolarHBondContact O-N 3.4Å; L311-T315 PolarHBondContact O-OG1 3.37Å
312	H	93.7	Very high	93.8	Very high	22 Å²	22	46.1 Å²	46.1	10%	0.102	23%	0.234	C	C	.	.	H	α-helix	trans	-57.6	-44.5	179.7	174.6	-111.6	0	0	0	113.1	F236 I243 L308 G310 T315 C316 Y356	F236-H312 PolarHBondContact O-NE2 3.03Å; I243-H312 HydrophobicContact CD1-CB 3.56Å; L308-H312 WeakPolarHBondContact O-CB 3.47Å; L308-H312 PolarHBondContact O-N 3.43Å; G310-H312 PolarHBondContact O-N 2.85Å; H312-T315 PolarHBondContact O-N 3.29Å; H312-C316 WeakPolarHBondContact O-CB 3.38Å; H312-C316 PolarHBondContact O-N 3.02Å; H312-C316 PolarHBondContact O-SG 3.23Å; H312-Y356 PolarHBondContact CE1-OH 3.3Å; H312-Y356 PolarHBondContact NE2-OH 3.17Å
313	L	93.1	Very high	93.8	Very high	80 Å²	80	44 Å²	44	42%	0.419	21%	0.213	S	C	.	.	H	α-helix	trans	-61.3	-46.4	175.3	178.6	61.8	0	0	0	111.5	N309 G310 L311 C316 Q317	N309-L313 PolarHBondContact O-N 3.44Å; N309-L313 VanDerWaalsContact O-N 3.08Å; G310-L313 PolarHBondContact O-N 3.05Å; L311-L313 VanDerWaalsContact C-N 3.34Å; L311-L313 PolarHBondContact O-N 3.49Å; L313-C316 PolarHBondContact O-N 3.32Å; L313-Q317 HydrophobicContact CD1-CG 4.44Å; L313-Q317 VanDerWaalsContact O-CG 3.3Å; L313-Q317 WeakPolarHBondContact O-CG 3.46Å; L313-Q317 PolarHBondContact O-N 3.32Å
314	A	93.9	Very high	93.7	Very high	15 Å²	15	49.8 Å²	49.8	12%	0.124	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-43.9	178.9	0	0	0	0	0	111.9	I279 E283 G310 L311 C316 Q317 Y318	I279-A314 HydrophobicContact CG2-CB 3.83Å; E283-A314 HydrophobicContact CG-CB 4.23Å; E283-A314 VanDerWaalsContact OE1-CB 3.25Å; E283-A314 WeakPolarHBondContact OE1-CB 3.38Å; G310-A314 WeakPolarHBondContact O-CB 3.46Å; G310-A314 PolarHBondContact O-N 3.31Å; L311-A314 PolarHBondContact O-N 2.94Å; L311-A314 VanDerWaalsContact O-N 3.12Å; A314-C316 PolarHBondContact O-N 3.23Å; A314-Q317 PolarHBondContact O-N 3.45Å; A314-Y318 WeakPolarHBondContact O-CB 3.05Å; A314-Y318 PolarHBondContact O-N 2.81Å
315	T	93.8	Very high	93.6	Very high	17 Å²	17	53.4 Å²	53.4	10%	0.104	25%	0.25	C	S	.	.	H	α-helix	trans	-62.8	-42.3	176.3	-49	0	0	0	0	111.6	T33 L239 L311 H312 Q317 Y318 A319	T33-T315 HydrophobicContact CG2-CG2 3.77Å; L239-T315 HydrophobicContact CD1-CG2 4.06Å; L239-T315 HydrophobicContact CD2-CG2 3.79Å; L239-T315 HydrophobicContact CG-CG2 4.35Å; L311-T315 PolarHBondContact O-N 3.4Å; L311-T315 PolarHBondContact O-OG1 3.37Å; H312-T315 PolarHBondContact O-N 3.29Å; T315-Q317 PolarHBondContact O-N 3.01Å; T315-Y318 PolarHBondContact O-N 3.27Å; T315-A319 WeakPolarHBondContact O-CB 3.27Å; T315-A319 PolarHBondContact O-N 2.84Å
316	C	93.6	Very high	93.5	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.061	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-40.5	175.7	-70.2	0	0	0	0	112.2	F236 H312 L313 A314 K320	F236-C316 HydrophobicContact CD1-CB 3.9Å; F236-C316 WeakPolarHBondContact CD1-SG 3.41Å; F236-C316 HydrophobicContact CE1-CB 4.02Å; H312-C316 WeakPolarHBondContact O-CB 3.38Å; H312-C316 PolarHBondContact O-N 3.02Å; H312-C316 PolarHBondContact O-SG 3.23Å; L313-C316 PolarHBondContact O-N 3.32Å; A314-C316 PolarHBondContact O-N 3.23Å; C316-K320 WeakPolarHBondContact O-CG 2.99Å; C316-K320 PolarHBondContact O-N 3.21Å; C316-K320 VanDerWaalsContact O-N 3.13Å
317	Q	93.3	Very high	93.4	Very high	95 Å²	95	48.4 Å²	48.4	44%	0.444	23%	0.228	S	C	.	.	H	α-helix	trans	-66.1	-40.6	175.8	-70.8	177.5	17.9	0	0	111.6	L313 A314 T315 K320 K321	L313-Q317 HydrophobicContact CD1-CG 4.44Å; L313-Q317 VanDerWaalsContact O-CG 3.3Å; L313-Q317 WeakPolarHBondContact O-CG 3.46Å; L313-Q317 PolarHBondContact O-N 3.32Å; A314-Q317 PolarHBondContact O-N 3.45Å; T315-Q317 PolarHBondContact O-N 3.01Å; Q317-K320 PolarHBondContact O-N 3.19Å; Q317-K321 WeakPolarHBondContact O-CG 3.41Å; Q317-K321 PolarHBondContact O-N 2.8Å
318	Y	93.5	Very high	93.1	Very high	66 Å²	66	51.7 Å²	51.7	26%	0.259	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-46.1	175.6	-178.7	-120.8	0	0	0	111.6	T33 G122 I279 A314 T315 K320 K321 Q322	T33-Y318 HydrophobicContact CG2-CD1 4.05Å; G122-Y318 PolarHBondContact O-OH 3.42Å; I279-Y318 HydrophobicContact CD1-CD1 4.04Å; I279-Y318 HydrophobicContact CD1-CD2 4.19Å; I279-Y318 HydrophobicContact CD1-CG 3.68Å; A314-Y318 WeakPolarHBondContact O-CB 3.05Å; A314-Y318 PolarHBondContact O-N 2.81Å; T315-Y318 PolarHBondContact O-N 3.27Å; Y318-K320 VanDerWaalsContact C-N 3.33Å; Y318-K320 PolarHBondContact O-N 3.01Å; Y318-K321 WeakPolarHBondContact O-CB 3.28Å; Y318-K321 PolarHBondContact O-N 3.23Å; Y318-Q322 HydrophobicContact CD2-CG 4.43Å; Y318-Q322 VanDerWaalsContact CE1-CD 3.43Å; Y318-Q322 HydrophobicContact CE1-CG 4.21Å; Y318-Q322 HydrophobicContact CE2-CG 4.13Å; Y318-Q322 VanDerWaalsContact CZ-NE2 3.29Å; Y318-Q322 WeakPolarHBondContact O-CG 3.28Å; Y318-Q322 PolarHBondContact O-N 3.19Å; Y318-Q322 PolarHBondContact OH-NE2 3.39Å
319	A	93.9	Very high	92.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-55.4	-45.3	174.4	0	0	0	0	0	112.7	T33 L235 L239 T315 K321 Q322 I323	T33-A319 HydrophobicContact CG2-CB 3.93Å; L235-A319 HydrophobicContact CD2-CB 4.04Å; L239-A319 HydrophobicContact CD1-CB 4.07Å; T315-A319 WeakPolarHBondContact O-CB 3.27Å; T315-A319 PolarHBondContact O-N 2.84Å; A319-K321 PolarHBondContact O-N 3.47Å; A319-Q322 PolarHBondContact O-N 2.89Å; A319-I323 WeakPolarHBondContact O-CG1 3.43Å; A319-I323 PolarHBondContact O-N 2.65Å
320	K	93.4	Very high	92.5	Very high	73 Å²	73	51.4 Å²	51.4	32%	0.317	24%	0.238	S	C	.	.	H	α-helix	trans	-61.7	-41.9	175.3	-72.1	176.4	-175.2	174.9	0	112.2	L232 F236 C316 Q317 Y318 Q322 I323 K324	L232-K320 HydrophobicContact CD2-CG 4.4Å; F236-K320 HydrophobicContact CE1-CG 4.48Å; F236-K320 HydrophobicContact CZ-CD 4.29Å; F236-K320 HydrophobicContact CZ-CG 4.24Å; C316-K320 WeakPolarHBondContact O-CG 2.99Å; C316-K320 PolarHBondContact O-N 3.21Å; C316-K320 VanDerWaalsContact O-N 3.13Å; Q317-K320 PolarHBondContact O-N 3.19Å; Y318-K320 VanDerWaalsContact C-N 3.33Å; Y318-K320 PolarHBondContact O-N 3.01Å; K320-Q322 VanDerWaalsContact C-N 3.35Å; K320-I323 PolarHBondContact O-N 3.08Å; K320-K324 WeakPolarHBondContact O-CB 3.4Å; K320-K324 PolarHBondContact O-N 2.75Å
321	K	93.2	Very high	92.2	Very high	146 Å²	146	53.3 Å²	53.3	64%	0.635	24%	0.243	S	C	*	.	H	α-helix	trans	-62.6	-42.4	176.6	-73.3	175	-178.7	177.4	0	111	Q317 Y318 A319 K324 W325	Q317-K321 WeakPolarHBondContact O-CG 3.41Å; Q317-K321 PolarHBondContact O-N 2.8Å; Y318-K321 WeakPolarHBondContact O-CB 3.28Å; Y318-K321 PolarHBondContact O-N 3.23Å; A319-K321 PolarHBondContact O-N 3.47Å; K321-K324 PolarHBondContact O-N 3.13Å; K321-W325 WeakPolarHBondContact O-CB 3.45Å; K321-W325 PolarHBondContact O-N 3.37Å
322	Q	94.5	Very high	91.7	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.028	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-47.5	176.3	-69.6	173	-51.1	0	0	111.8	G122 N124 Y318 A319 K320 K324 W325 I326	G122-Q322 VanDerWaalsContact C-NE2 3.32Å; G122-Q322 PolarHBondContact O-NE2 3.21Å; N124-Q322 PolarHBondContact ND2-O 3.07Å; Y318-Q322 HydrophobicContact CD2-CG 4.43Å; Y318-Q322 VanDerWaalsContact CE1-CD 3.43Å; Y318-Q322 HydrophobicContact CE1-CG 4.21Å; Y318-Q322 HydrophobicContact CE2-CG 4.13Å; Y318-Q322 VanDerWaalsContact CZ-NE2 3.29Å; Y318-Q322 WeakPolarHBondContact O-CG 3.28Å; Y318-Q322 PolarHBondContact O-N 3.19Å; Y318-Q322 PolarHBondContact OH-NE2 3.39Å; A319-Q322 PolarHBondContact O-N 2.89Å; K320-Q322 VanDerWaalsContact C-N 3.35Å; Q322-K324 VanDerWaalsContact C-N 3.34Å; Q322-K324 PolarHBondContact O-N 2.87Å; Q322-W325 WeakPolarHBondContact O-CB 3.31Å; Q322-W325 PolarHBondContact O-N 3.11Å; Q322-W325 VanDerWaalsContact O-N 3.17Å; Q322-I326 WeakPolarHBondContact O-CG1 3.25Å; Q322-I326 PolarHBondContact O-N 3.09Å
323	I	93	Very high	91	Very high	21 Å²	21	59.1 Å²	59.1	11%	0.108	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-45.3	178	-67	164.6	0	0	0	110.8	L232 L235 A319 K320 W325 I326 R327	L232-I323 HydrophobicContact CD2-CD1 3.66Å; L235-I323 HydrophobicContact CD2-CD1 4.19Å; A319-I323 WeakPolarHBondContact O-CG1 3.43Å; A319-I323 PolarHBondContact O-N 2.65Å; K320-I323 PolarHBondContact O-N 3.08Å; I323-W325 VanDerWaalsContact C-N 3.31Å; I323-W325 PolarHBondContact O-N 3.34Å; I323-I326 PolarHBondContact O-N 3Å; I323-R327 WeakPolarHBondContact O-CG 3.4Å; I323-R327 PolarHBondContact O-N 3.01Å
324	K	92.9	Very high	89.9	Confident	138 Å²	138	59.9 Å²	59.9	60%	0.6	28%	0.282	S	S	*	.	H	α-helix	trans	-60.8	-42	176.5	-174.8	179	179.4	-178.2	0	111.5	K320 K321 Q322 N328	K320-K324 WeakPolarHBondContact O-CB 3.4Å; K320-K324 PolarHBondContact O-N 2.75Å; K321-K324 PolarHBondContact O-N 3.13Å; Q322-K324 VanDerWaalsContact C-N 3.34Å; Q322-K324 PolarHBondContact O-N 2.87Å; K324-N328 WeakPolarHBondContact O-CB 3.35Å; K324-N328 VanDerWaalsContact O-CG 3.27Å; K324-N328 PolarHBondContact O-N 2.92Å; K324-N328 PolarHBondContact O-OD1 2.92Å
325	W	91.8	Very high	88.6	Confident	85 Å²	85	61.5 Å²	61.5	32%	0.322	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-50.5	177.6	-173.2	-72.1	0	0	0	111.5	N124 Y125 E128 K321 Q322 I323 R327 N328 R329	N124-W325 HydrophobicContact CB-CG 4.09Å; Y125-W325 HydrophobicContact CD2-CH2 4.24Å; Y125-W325 HydrophobicContact CD2-CZ2 4.05Å; E128-W325 VanDerWaalsContact OE1-CE2 3.3Å; E128-W325 PolarHBondContact OE1-NE1 3.03Å; K321-W325 WeakPolarHBondContact O-CB 3.45Å; K321-W325 PolarHBondContact O-N 3.37Å; Q322-W325 WeakPolarHBondContact O-CB 3.31Å; Q322-W325 PolarHBondContact O-N 3.11Å; Q322-W325 VanDerWaalsContact O-N 3.17Å; I323-W325 VanDerWaalsContact C-N 3.31Å; I323-W325 PolarHBondContact O-N 3.34Å; W325-R327 VanDerWaalsContact C-N 3.34Å; W325-R327 PolarHBondContact O-N 3.39Å; W325-N328 PolarHBondContact O-N 3.34Å; W325-R329 HydrophobicContact CD2-CG 4.2Å; W325-R329 HydrophobicContact CG-CG 4.3Å; W325-R329 HydrophobicContact CZ2-CG 4.29Å; W325-R329 VanDerWaalsContact O-CB 3.28Å; W325-R329 WeakPolarHBondContact O-CB 3.26Å; W325-R329 PolarHBondContact O-N 2.8Å
326	I	92	Very high	87.4	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.3	-48.4	178.7	-65.9	163.9	0	0	0	110.5	L30 N124 W227 Q322 I323 N328 F330 V331	L30-I326 HydrophobicContact CB-CD1 4.21Å; L30-I326 HydrophobicContact CD1-CG2 4.3Å; N124-I326 WeakPolarHBondContact ND2-CG1 3.24Å; W227-I326 HydrophobicContact CD2-CG2 3.8Å; W227-I326 HydrophobicContact CE3-CG2 4.33Å; W227-I326 HydrophobicContact CG-CG2 4.11Å; W227-I326 HydrophobicContact CZ2-CG2 4.01Å; Q322-I326 WeakPolarHBondContact O-CG1 3.25Å; Q322-I326 PolarHBondContact O-N 3.09Å; I323-I326 PolarHBondContact O-N 3Å; I326-N328 PolarHBondContact O-N 3.45Å; I326-F330 HydrophobicContact CG2-CB 4.44Å; I326-F330 WeakPolarHBondContact O-CA 3.39Å; I326-F330 WeakPolarHBondContact O-CB 3.2Å; I326-F330 PolarHBondContact O-N 2.95Å; I326-V331 HydrophobicContact CG2-CG2 4.23Å; I326-V331 PolarHBondContact O-N 3.27Å; I326-V331 VanDerWaalsContact O-N 3.11Å
327	R	91.6	Very high	86.5	Confident	133 Å²	133	64.7 Å²	64.7	50%	0.502	32%	0.324	S	S	.	.	I	π-helix	trans	-57.5	-48.3	178.4	-74.4	178.3	-179.2	174.6	-0.3	112.1	W227 I323 W325 Q332	W227-R327 HydrophobicContact CH2-CG 3.77Å; W227-R327 HydrophobicContact CZ2-CG 4.24Å; I323-R327 WeakPolarHBondContact O-CG 3.4Å; I323-R327 PolarHBondContact O-N 3.01Å; W325-R327 VanDerWaalsContact C-N 3.34Å; W325-R327 PolarHBondContact O-N 3.39Å; R327-Q332 VanDerWaalsContact O-CB 3.29Å; R327-Q332 WeakPolarHBondContact O-CB 3.37Å; R327-Q332 VanDerWaalsContact O-CG 3.29Å; R327-Q332 WeakPolarHBondContact O-CG 3.46Å; R327-Q332 PolarHBondContact O-N 3.33Å
328	N	88	Confident	85.8	Confident	73 Å²	73	62.7 Å²	62.7	39%	0.39	32%	0.318	S	S	.	.	I	π-helix	trans	-79	-31.7	-173.1	-68.3	14.8	0	0	0	113.6	K324 W325 I326	K324-N328 WeakPolarHBondContact O-CB 3.35Å; K324-N328 VanDerWaalsContact O-CG 3.27Å; K324-N328 PolarHBondContact O-N 2.92Å; K324-N328 PolarHBondContact O-OD1 2.92Å; W325-N328 PolarHBondContact O-N 3.34Å; I326-N328 PolarHBondContact O-N 3.45Å
329	R	87.4	Confident	85.4	Confident	63 Å²	63	59.9 Å²	59.9	24%	0.238	31%	0.308	C	S	.	.	I	π-helix	trans	-104.6	-25.1	-169.8	-64.3	-76.4	-67	170.3	3.1	114.4	E128 I214 W325	E128-R329 WeakPolarHBondContact OE1-CB 3.31Å; E128-R329 WeakPolarHBondContact OE1-CG 3.41Å; E128-R329 IonicContact OE1-NE 2.66Å; E128-R329 PolarHBondContact OE1-NE 3.22Å; E128-R329 IonicContact OE2-CZ 2.61Å; E128-R329 VanDerWaalsContact OE2-CZ 3.29Å; E128-R329 IonicContact OE2-NE 3.15Å; E128-R329 PolarHBondContact OE2-NE 3.17Å; E128-R329 VanDerWaalsContact OE2-NE 3.12Å; E128-R329 IonicContact OE2-NH2 3.22Å; E128-R329 PolarHBondContact OE2-NH2 3.39Å; I214-R329 PolarHBondContact O-NH2 2.96Å; W325-R329 HydrophobicContact CD2-CG 4.2Å; W325-R329 HydrophobicContact CG-CG 4.3Å; W325-R329 HydrophobicContact CZ2-CG 4.29Å; W325-R329 VanDerWaalsContact O-CB 3.28Å; W325-R329 WeakPolarHBondContact O-CB 3.26Å; W325-R329 PolarHBondContact O-N 2.8Å
330	F	88	Confident	85	Confident	1 Å²	1	63.2 Å²	63.2	0%	0.004	33%	0.33	C	S	.	.	I	π-helix	trans	-109.8	-53.4	180	-67.2	-104.1	0	0	0	110.9	L30 N124 I127 E128 L131 W132 I225 I326 R333 I341	L30-F330 HydrophobicContact CD1-CB 4.38Å; L30-F330 HydrophobicContact CD1-CD1 3.54Å; L30-F330 HydrophobicContact CD1-CD2 4.38Å; L30-F330 HydrophobicContact CD1-CE1 3.77Å; L30-F330 HydrophobicContact CD1-CG 3.86Å; L30-F330 HydrophobicContact CD1-CZ 4.29Å; L30-F330 HydrophobicContact CD2-CE1 4.27Å; L30-F330 HydrophobicContact CD2-CZ 4.29Å; N124-F330 HydrophobicContact CB-CE2 4.03Å; N124-F330 HydrophobicContact CB-CZ 4.48Å; I127-F330 HydrophobicContact CB-CZ 4.46Å; I127-F330 HydrophobicContact CG2-CE1 4.22Å; I127-F330 HydrophobicContact CG2-CZ 4.22Å; E128-F330 HydrophobicContact CG-CE1 4.28Å; E128-F330 HydrophobicContact CG-CE2 3.63Å; E128-F330 HydrophobicContact CG-CZ 3.43Å; E128-F330 VanDerWaalsContact CG-CZ 3.43Å; E128-F330 WeakPolarHBondContact OE1-CE2 3.21Å; L131-F330 HydrophobicContact CD1-CE1 3.89Å; W132-F330 AromaticContact CH2-CD1 3.72Å; W132-F330 HydrophobicContact CH2-CD1 3.72Å; W132-F330 AromaticContact CH2-CE1 3.82Å; W132-F330 HydrophobicContact CH2-CE1 3.82Å; W132-F330 HydrophobicContact CZ3-CD1 4.01Å; W132-F330 AromaticContact CZ3-CE1 3.65Å; W132-F330 HydrophobicContact CZ3-CE1 3.65Å; W132-F330 HydrophobicContact CZ3-CZ 4.21Å; I225-F330 HydrophobicContact CD1-CD1 4.2Å; I326-F330 HydrophobicContact CG2-CB 4.44Å; I326-F330 WeakPolarHBondContact O-CA 3.39Å; I326-F330 WeakPolarHBondContact O-CB 3.2Å; I326-F330 PolarHBondContact O-N 2.95Å; F330-R333 WeakPolarHBondContact O-CB 3.42Å; F330-I341 HydrophobicContact CB-CD1 4.07Å; F330-I341 WeakPolarHBondContact O-CD1 3.39Å
331	V	87	Confident	84.8	Confident	71 Å²	71	62.1 Å²	62.1	43%	0.43	33%	0.327	S	S	.	.	I	π-helix	trans	-77.7	-47.2	-171.6	-176.4	0	0	0	0	112.3	W227 I326 R333	W227-V331 HydrophobicContact CE3-CG2 3.72Å; W227-V331 HydrophobicContact CH2-CG2 4.12Å; W227-V331 HydrophobicContact CZ3-CG2 3.42Å; W227-V331 VanDerWaalsContact CZ3-CG2 3.42Å; I326-V331 HydrophobicContact CG2-CG2 4.23Å; I326-V331 PolarHBondContact O-N 3.27Å; I326-V331 VanDerWaalsContact O-N 3.11Å; V331-R333 PolarHBondContact O-N 3.06Å
332	Q	84.5	Confident	84.6	Confident	133 Å²	133	61.6 Å²	61.6	62%	0.621	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	11.5	178.7	-67	177.5	-12.2	0	0	112.6	R327 S334	R327-Q332 VanDerWaalsContact O-CB 3.29Å; R327-Q332 WeakPolarHBondContact O-CB 3.37Å; R327-Q332 VanDerWaalsContact O-CG 3.29Å; R327-Q332 WeakPolarHBondContact O-CG 3.46Å; R327-Q332 PolarHBondContact O-N 3.33Å; Q332-S334 PolarHBondContact O-N 3.24Å
333	R	79.9	Confident	84.4	Confident	16 Å²	16	64 Å²	64	6%	0.06	34%	0.343	C	S	.	.			trans	-67.4	109.4	179.6	-175.8	170.2	177.5	143.5	-8.1	109	W132 S212 I214 G215 F330 V331 V338	W132-R333 VanDerWaalsContact CD1-NH2 3.33Å; W132-R333 VanDerWaalsContact CD2-NH1 3.35Å; S212-R333 PolarHBondContact OG-NE 3.07Å; S212-R333 PolarHBondContact OG-NH2 3Å; I214-R333 HydrophobicContact CD1-CG 4.4Å; I214-R333 VanDerWaalsContact CG2-NH1 3.31Å; G215-R333 PolarHBondContact O-NH2 3.34Å; F330-R333 WeakPolarHBondContact O-CB 3.42Å; V331-R333 PolarHBondContact O-N 3.06Å; R333-V338 HydrophobicContact CB-CG2 4.33Å; R333-V338 HydrophobicContact CG-CG2 3.99Å
334	S	68.2	Low	84.1	Confident	97 Å²	97	66 Å²	66	68%	0.678	35%	0.353	S	S	*	.			trans	-91.1	131	173	54.5	0	0	0	0	110.2	Q332	Q332-S334 PolarHBondContact O-N 3.24Å
335	G	66.9	Low	83.5	Confident	49 Å²	49	64.4 Å²	64.4	51%	0.505	36%	0.355	S	S	.	.	S	Bend	trans	81.8	160.8	175.9	0	0	0	0	0	114.4	S212	S212-G335 VanDerWaalsContact CB-O 3.25Å; S212-G335 WeakPolarHBondContact CB-O 3.14Å
336	G	68.8	Low	82.5	Confident	33 Å²	33	62.4 Å²	62.4	34%	0.34	35%	0.353	S	S	.	.	S	Bend	trans	74.2	176.4	-175.3	0	0	0	0	0	114.2	G210 S211 V338	G210-G336 WeakPolarHBondContact O-CA 3.44Å; S211-G336 WeakPolarHBondContact O-CA 3.37Å; S211-G336 PolarHBondContact O-N 3.13Å; G336-V338 PolarHBondContact O-N 2.91Å
337	D	74.3	Confident	81	Confident	59 Å²	59	68.2 Å²	68.2	32%	0.316	39%	0.394	S	S	.	.			trans	-74.1	108.3	175.2	-67.9	-30.3	0	0	0	109.2	K21 W132 G210 L218	K21-D337 IonicContact NZ-OD2 3.65Å; K21-D337 PolarHBondContact NZ-OD2 3.16Å; W132-D337 PolarHBondContact NE1-O 3.47Å; G210-D337 PolarHBondContact O-N 2.83Å; L218-D337 HydrophobicContact CB-CB 3.75Å; L218-D337 HydrophobicContact CD2-CB 4.48Å
338	V	80	Confident	79.4	Confident	54 Å²	54	64.5 Å²	64.5	33%	0.327	38%	0.384	S	S	.	.			trans	-110.3	123	175.5	-174.8	0	0	0	0	108.8	R333 G336 I341	R333-V338 HydrophobicContact CB-CG2 4.33Å; R333-V338 HydrophobicContact CG-CG2 3.99Å; G336-V338 PolarHBondContact O-N 2.91Å; V338-I341 HydrophobicContact CG1-CD1 4.38Å
339	P	83.9	Confident	77.6	Confident	7 Å²	7	64.8 Å²	64.8	5%	0.045	41%	0.405	C	S	.	.			trans	-60.5	153.3	174.4	-20.8	31.9	0	0	0	111.5	L218 I225 I341	L218-P339 HydrophobicContact CD1-CG 3.52Å; L218-P339 HydrophobicContact CD2-CG 3.75Å; L218-P339 HydrophobicContact CG-CG 4.31Å; I225-P339 HydrophobicContact CD1-CB 3.89Å; I225-P339 HydrophobicContact CD1-CG 3.9Å; I225-P339 HydrophobicContact CG1-CB 4.04Å; I225-P339 HydrophobicContact CG1-CG 4.38Å; P339-I341 PolarHBondContact O-N 3.48Å
340	P	85.7	Confident	75.9	Confident	70 Å²	70	63.9 Å²	63.9	46%	0.455	41%	0.406	S	S	.	.			trans	-59.3	131.8	171.6	27	-35.4	0	0	0	110.9	S223 L224 I225 Y342	S223-P340 WeakPolarHBondContact O-CD 3.34Å; L224-P340 HydrophobicContact CD1-CG 4.37Å; I225-P340 PolarHBondContact N-O 2.73Å; P340-Y342 HydrophobicContact CB-CE2 3.77Å; P340-Y342 HydrophobicContact CG-CE2 4.3Å
341	I	89.7	Confident	73.9	Confident	50 Å²	50	75.5 Å²	75.5	26%	0.256	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120	179.7	-56.5	171.8	0	0	0	109.1	I225 W227 F330 V338 P339	I225-I341 HydrophobicContact CB-CB 4.4Å; I225-I341 HydrophobicContact CB-CG1 3.93Å; I225-I341 HydrophobicContact CB-CG2 4.49Å; I225-I341 HydrophobicContact CD1-CD1 4.47Å; I225-I341 HydrophobicContact CD1-CG1 3.98Å; I225-I341 HydrophobicContact CG2-CB 4.44Å; I225-I341 HydrophobicContact CG2-CG1 4.07Å; I225-I341 HydrophobicContact CG2-CG2 4.02Å; I225-I341 CarbonylContact O-C 3.6Å; I225-I341 WeakPolarHBondContact O-CA 3.39Å; W227-I341 HydrophobicContact CB-CG2 4.16Å; F330-I341 HydrophobicContact CB-CD1 4.07Å; F330-I341 WeakPolarHBondContact O-CD1 3.39Å; V338-I341 HydrophobicContact CG1-CD1 4.38Å; P339-I341 PolarHBondContact O-N 3.48Å
342	Y	89.4	Confident	72.3	Confident	134 Å²	134	73 Å²	73	53%	0.525	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.2	176.3	-63.8	-91.1	0	0	0	110.4	L224 I225 L226 W227 P340	L224-Y342 HydrophobicContact CD1-CD2 3.4Å; L224-Y342 VanDerWaalsContact CD1-CD2 3.4Å; L224-Y342 HydrophobicContact CD1-CE2 3.36Å; I225-Y342 PolarHBondContact O-N 3.42Å; L226-Y342 HydrophobicContact CD2-CD2 4.49Å; W227-Y342 PolarHBondContact N-O 2.9Å; P340-Y342 HydrophobicContact CB-CE2 3.77Å; P340-Y342 HydrophobicContact CG-CE2 4.3Å
343	A	89.2	Confident	70.8	Confident	58 Å²	58	71.4 Å²	71.4	48%	0.479	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.1	173.9	0	0	0	0	0	110.3	W227 Q229	W227-A343 CarbonylContact O-C 3.55Å; W227-A343 WeakPolarHBondContact O-CA 3.47Å; Q229-A343 HydrophobicContact CG-CB 4.35Å
344	L	87.4	Confident	69.8	Low	61 Å²	61	75.1 Å²	75.1	32%	0.319	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.9	177.8	-59.5	177.1	0	0	0	108.8	L40 L226 W227 T228 Q229	L40-L344 HydrophobicContact CD2-CD1 3.59Å; L226-L344 HydrophobicContact CB-CD1 3.96Å; L226-L344 HydrophobicContact CD1-CD1 4.3Å; L226-L344 HydrophobicContact CD2-CD1 4.35Å; L226-L344 HydrophobicContact CG-CD1 4.43Å; W227-L344 PolarHBondContact O-N 3.16Å; T228-L344 CarbonylContact C-O 3.56Å; T228-L344 WeakPolarHBondContact CA-O 3.38Å; Q229-L344 PolarHBondContact N-O 3.16Å
345	T	80.5	Confident	69.9	Low	105 Å²	105	74.2 Å²	74.2	64%	0.644	45%	0.452	S	S	*	.			trans	-103.1	115	171.8	-57.8	0	0	0	0	108.2	S347	T345-S347 PolarHBondContact O-N 2.95Å
346	P	69.5	Low	70.2	Confident	43 Å²	43	72.9 Å²	72.9	28%	0.279	43%	0.432	S	S	.	.			trans	-57.1	133.2	175.5	-25.7	36	0	0	0	111.1	Q229 D348	Q229-P346 WeakPolarHBondContact O-CD 3.02Å; P346-D348 WeakPolarHBondContact CB-OD2 3.39Å; P346-D348 PolarHBondContact O-N 3.46Å
347	S	60.2	Low	70.5	Confident	123 Å²	123	76.5 Å²	76.5	86%	0.86	44%	0.439	S	S	*	.			trans	-75	72.3	174.1	56.9	0	0	0	0	110	T345	T345-S347 PolarHBondContact O-N 2.95Å
348	D	58.7	Low	70.7	Confident	54 Å²	54	79.1 Å²	79.1	29%	0.289	45%	0.447	S	S	.	.			trans	-104.3	120.2	-176.5	-64.9	-43.7	0	0	0	112.5	K238 P346 T350	K238-D348 IonicContact NZ-OD2 3.82Å; K238-D348 PolarHBondContact NZ-OD2 3.29Å; P346-D348 WeakPolarHBondContact CB-OD2 3.39Å; P346-D348 PolarHBondContact O-N 3.46Å; D348-T350 PolarHBondContact O-N 3.49Å; D348-T350 VanDerWaalsContact O-N 3.13Å
349	G	50.6	Low	70.9	Confident	80 Å²	80	76.7 Å²	76.7	83%	0.825	43%	0.432	S	S	*	.			trans	-71.7	12.2	174.8	0	0	0	0	0	115.2	R351	G349-R351 PolarHBondContact O-N 2.84Å; G349-R351 VanDerWaalsContact O-N 3.11Å
350	T	51.7	Low	70.9	Confident	43 Å²	43	82.6 Å²	82.6	26%	0.264	46%	0.463	S	S	.	.			trans	-71.8	107.3	-179	-8.5	0	0	0	0	110.7	K234 D348 C352	K234-T350 WeakPolarHBondContact CE-O 3.37Å; D348-T350 PolarHBondContact O-N 3.49Å; D348-T350 VanDerWaalsContact O-N 3.13Å; T350-C352 PolarHBondContact O-N 3.01Å
351	R	46.3	Very low	70.7	Confident	246 Å²	246	81.3 Å²	81.3	93%	0.928	46%	0.455	S	S	*	.			trans	-80.1	85.1	166.1	-73.9	-176.8	179.1	-175.2	0.4	108.9	G349	G349-R351 PolarHBondContact O-N 2.84Å; G349-R351 VanDerWaalsContact O-N 3.11Å
352	C	51.9	Low	70.3	Confident	18 Å²	18	79.8 Å²	79.8	12%	0.122	45%	0.448	C	S	.	.			trans	-128	63.9	173.8	-161.9	0	0	0	0	111.7	C237 T350	C237-C352 HydrophobicContact CB-CB 3.49Å; C237-C352 VanDerWaalsContact CB-CB 3.49Å; C237-C352 WeakPolarHBondContact CB-SG 3.39Å; C237-C352 WeakPolarHBondContact SG-CB 3.4Å; C237-C352 PolarHBondContact SG-O 3.35Å; C237-C352 CovalentContact SG-SG 2.01Å; C237-C352 PolarHBondContact SG-SG 3.23Å; T350-C352 PolarHBondContact O-N 3.01Å
353	S	52.9	Low	69.7	Low	99 Å²	99	79 Å²	79	69%	0.692	45%	0.453	S	S	*	.			trans	-99	-12.5	170.9	57.2	0	0	0	0	112.9
354	S	60.1	Low	68.8	Low	94 Å²	94	81.4 Å²	81.4	66%	0.657	45%	0.45	S	S	*	.	S	Bend	trans	-78.9	-27.8	-171.7	51.8	0	0	0	0	114.4	V368	S354-V368 WeakPolarHBondContact O-CG2 3.31Å
355	E	70.6	Confident	68.1	Low	79 Å²	79	80 Å²	80	37%	0.369	44%	0.443	S	S	.	.	S	Bend	trans	-83.3	-14.1	-174.3	-70.1	-157.8	141.3	0	0	114.9	C367 V368	E355-C367 CarbonylContact O-C 3.59Å; E355-C367 WeakPolarHBondContact O-CA 3.49Å; E355-V368 WeakPolarHBondContact O-CG2 3.28Å; E355-V368 PolarHBondContact O-N 3.29Å
356	Y	71.7	Confident	68	Low	21 Å²	21	76.1 Å²	76.1	8%	0.082	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.8	-178.2	-62	-95.4	0	0	0	111.9	F236 H312 L365 I366 C367	F236-Y356 HydrophobicContact CB-CD1 4.45Å; F236-Y356 HydrophobicContact CB-CD2 4.34Å; F236-Y356 HydrophobicContact CB-CE1 3.8Å; F236-Y356 HydrophobicContact CB-CE2 3.7Å; F236-Y356 WeakPolarHBondContact CB-OH 3.4Å; F236-Y356 AromaticContact CD2-CD1 3.98Å; F236-Y356 HydrophobicContact CD2-CD1 3.98Å; F236-Y356 AromaticContact CD2-CE1 3.93Å; F236-Y356 HydrophobicContact CD2-CE1 3.93Å; F236-Y356 HydrophobicContact CD2-CG 4.44Å; F236-Y356 HydrophobicContact CG-CE1 4.27Å; F236-Y356 PolarHBondContact O-OH 3.16Å; H312-Y356 PolarHBondContact CE1-OH 3.3Å; H312-Y356 PolarHBondContact NE2-OH 3.17Å; Y356-L365 VanDerWaalsContact CB-CD2 3.49Å; Y356-L365 HydrophobicContact CD1-CD2 4.4Å; Y356-L365 HydrophobicContact CG-CD2 4.06Å; Y356-I366 CarbonylContact C-O 3.57Å; Y356-I366 WeakPolarHBondContact CA-O 3.44Å; Y356-C367 HydrophobicContact CD1-CB 4.13Å; Y356-C367 HydrophobicContact CE1-CB 3.95Å
357	K	75.7	Confident	68.3	Low	109 Å²	109	75.2 Å²	75.2	47%	0.474	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.1	172.3	-71.5	177	-178.1	-175.6	0	109.5	L365 I366 V368 W371	K357-L365 WeakPolarHBondContact O-CA 3.49Å; K357-I366 PolarHBondContact N-O 3.03Å; K357-I366 PolarHBondContact O-N 2.91Å; K357-V368 HydrophobicContact CD-CG2 4.04Å; K357-V368 HydrophobicContact CG-CG2 3.86Å; K357-W371 HydrophobicContact CB-CD2 4.32Å; K357-W371 HydrophobicContact CB-CE3 3.58Å; K357-W371 HydrophobicContact CB-CH2 3.91Å; K357-W371 HydrophobicContact CB-CZ3 3.35Å; K357-W371 HydrophobicContact CD-CD2 4.34Å; K357-W371 HydrophobicContact CD-CE3 4.41Å
358	K	79.8	Confident	69.2	Low	113 Å²	113	72 Å²	72	49%	0.491	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.9	168.6	-170.2	-176.3	177	-167.3	0	107.9	N363 R364 L365	K358-N363 WeakPolarHBondContact CE-OD1 3.43Å; K358-N363 PolarHBondContact NZ-OD1 2.67Å; K358-R364 CarbonylContact C-O 3.6Å; K358-L365 HydrophobicContact CB-CD1 4.36Å; K358-L365 HydrophobicContact CG-CD1 4.48Å
359	C	83.6	Confident	70.1	Confident	3 Å²	3	77.9 Å²	77.9	2%	0.02	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	111.8	167.6	171.8	0	0	0	0	108.4	T361 C362 N363 R364 I366 W371 H374 H380	C359-T361 VanDerWaalsContact C-N 3.34Å; C359-C362 HydrophobicContact CB-CB 4.31Å; C359-C362 PolarHBondContact O-N 3.48Å; C359-C362 PolarHBondContact SG-N 2.98Å; C359-C362 VanDerWaalsContact SG-N 3.36Å; C359-N363 WeakPolarHBondContact O-CA 3.5Å; C359-N363 PolarHBondContact O-N 3.28Å; C359-R364 PolarHBondContact N-O 3.09Å; C359-R364 PolarHBondContact O-N 2.85Å; C359-R364 VanDerWaalsContact O-N 3.16Å; C359-I366 HydrophobicContact CB-CG1 4.38Å; C359-W371 HydrophobicContact CB-CH2 3.82Å; C359-W371 HydrophobicContact CB-CZ3 3.91Å; C359-H374 WeakPolarHBondContact CB-NE2 3.26Å; C359-H374 PolarHBondContact SG-NE2 3.07Å; C359-H380 PolarHBondContact SG-CE1 3.2Å; C359-H380 PolarHBondContact SG-ND1 3.38Å; C359-H380 VanDerWaalsContact SG-ND1 3.4Å
360	D	82.6	Confident	71.5	Confident	131 Å²	131	78.5 Å²	78.5	70%	0.701	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-37.5	-179.6	-61.1	-42	0	0	0	111.7	C362 N363	D360-C362 VanDerWaalsContact C-N 3.3Å; D360-C362 PolarHBondContact O-N 3.08Å; D360-N363 PolarHBondContact O-N 2.82Å
361	T	82.6	Confident	72.9	Confident	44 Å²	44	79.6 Å²	79.6	27%	0.27	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-40.2	175.7	-43.6	0	0	0	0	113	C359 C383 K384 I387	C359-T361 VanDerWaalsContact C-N 3.34Å; T361-C383 HydrophobicContact CG2-CB 4.21Å; T361-C383 WeakPolarHBondContact O-CB 3.44Å; T361-K384 HydrophobicContact CG2-CB 3.69Å; T361-K384 HydrophobicContact CG2-CG 4.19Å; T361-I387 HydrophobicContact CG2-CD1 3.85Å
362	C	81.7	Confident	74.7	Confident	18 Å²	18	73.9 Å²	73.9	12%	0.122	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-6.9	-176.8	-68.5	0	0	0	0	113.4	C359 D360 R364 H374 H380	C359-C362 HydrophobicContact CB-CB 4.31Å; C359-C362 PolarHBondContact O-N 3.48Å; C359-C362 PolarHBondContact SG-N 2.98Å; C359-C362 VanDerWaalsContact SG-N 3.36Å; D360-C362 VanDerWaalsContact C-N 3.3Å; D360-C362 PolarHBondContact O-N 3.08Å; C362-R364 HydrophobicContact CB-CB 4.15Å; C362-R364 HydrophobicContact CB-CG 4.15Å; C362-R364 WeakPolarHBondContact O-CG 3.35Å; C362-R364 PolarHBondContact O-N 2.66Å; C362-H374 VanDerWaalsContact SG-CE1 3.52Å; C362-H380 VanDerWaalsContact SG-CA 3.6Å; C362-H380 PolarHBondContact SG-ND1 3.25Å
363	N	75.5	Confident	76.2	Confident	118 Å²	118	76.5 Å²	76.5	63%	0.631	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.7	48.1	-165.6	-161.2	18.3	0	0	0	112.6	K358 C359 D360	K358-N363 WeakPolarHBondContact CE-OD1 3.43Å; K358-N363 PolarHBondContact NZ-OD1 2.67Å; C359-N363 WeakPolarHBondContact O-CA 3.5Å; C359-N363 PolarHBondContact O-N 3.28Å; D360-N363 PolarHBondContact O-N 2.82Å
364	R	71.2	Confident	77.8	Confident	107 Å²	107	72.7 Å²	72.7	40%	0.404	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133	-176.1	-77.5	174.5	-179.7	-137.2	-20.5	111	K358 C359 C362 I366 K379	K358-R364 CarbonylContact C-O 3.6Å; C359-R364 PolarHBondContact N-O 3.09Å; C359-R364 PolarHBondContact O-N 2.85Å; C359-R364 VanDerWaalsContact O-N 3.16Å; C362-R364 HydrophobicContact CB-CB 4.15Å; C362-R364 HydrophobicContact CB-CG 4.15Å; C362-R364 WeakPolarHBondContact O-CG 3.35Å; C362-R364 PolarHBondContact O-N 2.66Å; R364-I366 HydrophobicContact CB-CD1 4.02Å; R364-I366 HydrophobicContact CB-CG1 4.37Å; R364-K379 VanDerWaalsContact NH2-CE 3.29Å
365	L	73.5	Confident	79	Confident	33 Å²	33	70.5 Å²	70.5	17%	0.173	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.9	161.3	-108.8	96.8	0	0	0	110.4	P233 F236 Y356 K357 K358	P233-L365 HydrophobicContact CB-CD2 3.74Å; P233-L365 HydrophobicContact CG-CD1 4.29Å; P233-L365 HydrophobicContact CG-CD2 3.61Å; F236-L365 HydrophobicContact CD2-CB 4.35Å; F236-L365 HydrophobicContact CD2-CD2 3.84Å; F236-L365 HydrophobicContact CE2-CB 3.73Å; F236-L365 HydrophobicContact CE2-CD2 3.81Å; F236-L365 HydrophobicContact CE2-CG 4.34Å; Y356-L365 VanDerWaalsContact CB-CD2 3.49Å; Y356-L365 HydrophobicContact CD1-CD2 4.4Å; Y356-L365 HydrophobicContact CG-CD2 4.06Å; K357-L365 WeakPolarHBondContact O-CA 3.49Å; K358-L365 HydrophobicContact CB-CD1 4.36Å; K358-L365 HydrophobicContact CG-CD1 4.48Å
366	I	78.2	Confident	79.8	Confident	22 Å²	22	73.3 Å²	73.3	11%	0.113	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.3	-176.8	-55.6	-65.3	0	0	0	107.9	Y356 K357 C359 R364 Q370 W371 H374	Y356-I366 CarbonylContact C-O 3.57Å; Y356-I366 WeakPolarHBondContact CA-O 3.44Å; K357-I366 PolarHBondContact N-O 3.03Å; K357-I366 PolarHBondContact O-N 2.91Å; C359-I366 HydrophobicContact CB-CG1 4.38Å; R364-I366 HydrophobicContact CB-CD1 4.02Å; R364-I366 HydrophobicContact CB-CG1 4.37Å; I366-Q370 HydrophobicContact CG2-CB 4.3Å; I366-W371 HydrophobicContact CB-CE3 3.84Å; I366-W371 HydrophobicContact CB-CZ3 4.11Å; I366-W371 HydrophobicContact CG1-CE3 4.43Å; I366-W371 HydrophobicContact CG1-CZ3 4.36Å; I366-W371 HydrophobicContact CG2-CE3 4.04Å; I366-H374 HydrophobicContact CD1-CB 4.19Å; I366-H374 WeakPolarHBondContact CD1-ND1 3.32Å; I366-H374 HydrophobicContact CG1-CB 4.23Å; I366-H374 HydrophobicContact CG2-CB 3.7Å
367	C	74.7	Confident	80.6	Confident	24 Å²	24	73.9 Å²	73.9	16%	0.162	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	136.9	172.4	177.3	0	0	0	0	109.5	E355 Y356 K369 Q370 W371	E355-C367 CarbonylContact O-C 3.59Å; E355-C367 WeakPolarHBondContact O-CA 3.49Å; Y356-C367 HydrophobicContact CD1-CB 4.13Å; Y356-C367 HydrophobicContact CE1-CB 3.95Å; C367-K369 PolarHBondContact O-N 3.45Å; C367-Q370 CarbonylContact O-C 3.29Å; C367-Q370 WeakPolarHBondContact O-CA 3.21Å; C367-Q370 PolarHBondContact O-N 2.92Å; C367-W371 PolarHBondContact O-N 3.45Å; C367-W371 VanDerWaalsContact O-N 3.11Å
368	V	79.3	Confident	81.2	Confident	57 Å²	57	76.8 Å²	76.8	35%	0.345	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-54.1	-38	179.6	172.8	0	0	0	0	111.4	S354 E355 K357 Q370 W371	S354-V368 WeakPolarHBondContact O-CG2 3.31Å; E355-V368 WeakPolarHBondContact O-CG2 3.28Å; E355-V368 PolarHBondContact O-N 3.29Å; K357-V368 HydrophobicContact CD-CG2 4.04Å; K357-V368 HydrophobicContact CG-CG2 3.86Å; V368-Q370 PolarHBondContact O-N 3.05Å; V368-W371 VanDerWaalsContact O-CB 3.26Å; V368-W371 WeakPolarHBondContact O-CB 3.5Å; V368-W371 PolarHBondContact O-N 3.22Å; V368-W371 VanDerWaalsContact O-N 3.11Å
369	K	78	Confident	81.4	Confident	177 Å²	177	76.2 Å²	76.2	77%	0.77	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-60.8	-27.6	175.4	-61.4	-178.9	-179.6	176.7	0	113.4	C367	C367-K369 PolarHBondContact O-N 3.45Å
370	Q	79.2	Confident	81.6	Confident	93 Å²	93	76.8 Å²	76.8	44%	0.435	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-102.9	3.8	179.3	-65.6	-175.7	-21.4	0	0	113.2	I366 C367 V368 Q372 A373 H374	I366-Q370 HydrophobicContact CG2-CB 4.3Å; C367-Q370 CarbonylContact O-C 3.29Å; C367-Q370 WeakPolarHBondContact O-CA 3.21Å; C367-Q370 PolarHBondContact O-N 2.92Å; V368-Q370 PolarHBondContact O-N 3.05Å; Q370-Q372 PolarHBondContact O-N 3.05Å; Q370-A373 PolarHBondContact O-N 2.91Å; Q370-H374 WeakPolarHBondContact O-CB 3.41Å; Q370-H374 PolarHBondContact O-N 3.18Å
371	W	81.7	Confident	81.8	Confident	65 Å²	65	77.9 Å²	77.9	25%	0.246	38%	0.376	C	S	.	.	H	α-helix	trans	-60.6	-46	-173.4	-175	-99.3	0	0	0	112.3	K357 C359 I366 C367 V368 H374 V375	K357-W371 HydrophobicContact CB-CD2 4.32Å; K357-W371 HydrophobicContact CB-CE3 3.58Å; K357-W371 HydrophobicContact CB-CH2 3.91Å; K357-W371 HydrophobicContact CB-CZ3 3.35Å; K357-W371 HydrophobicContact CD-CD2 4.34Å; K357-W371 HydrophobicContact CD-CE3 4.41Å; C359-W371 HydrophobicContact CB-CH2 3.82Å; C359-W371 HydrophobicContact CB-CZ3 3.91Å; I366-W371 HydrophobicContact CB-CE3 3.84Å; I366-W371 HydrophobicContact CB-CZ3 4.11Å; I366-W371 HydrophobicContact CG1-CE3 4.43Å; I366-W371 HydrophobicContact CG1-CZ3 4.36Å; I366-W371 HydrophobicContact CG2-CE3 4.04Å; C367-W371 PolarHBondContact O-N 3.45Å; C367-W371 VanDerWaalsContact O-N 3.11Å; V368-W371 VanDerWaalsContact O-CB 3.26Å; V368-W371 WeakPolarHBondContact O-CB 3.5Å; V368-W371 PolarHBondContact O-N 3.22Å; V368-W371 VanDerWaalsContact O-N 3.11Å; W371-H374 WeakPolarHBondContact O-CB 3.33Å; W371-H374 PolarHBondContact O-N 3.31Å; W371-V375 HydrophobicContact CD2-CG2 4.49Å; W371-V375 WeakPolarHBondContact O-CG2 3.27Å; W371-V375 PolarHBondContact O-N 3.16Å
372	Q	84.3	Confident	82.1	Confident	127 Å²	127	85.5 Å²	85.5	59%	0.593	40%	0.4	S	S	*	.	H	α-helix	trans	-58.3	-53.3	177.5	-72.8	-69.6	-18.8	0	0	111.1	Q370 H374 V375 F376	Q370-Q372 PolarHBondContact O-N 3.05Å; Q372-H374 PolarHBondContact O-N 3.32Å; Q372-V375 PolarHBondContact O-N 2.65Å; Q372-V375 VanDerWaalsContact O-N 3.14Å; Q372-F376 WeakPolarHBondContact O-CD2 3.47Å; Q372-F376 PolarHBondContact O-N 3.24Å
373	A	84.2	Confident	82.3	Confident	72 Å²	72	86.5 Å²	86.5	60%	0.595	41%	0.407	S	S	*	.	H	α-helix	trans	-57.8	-37.3	177.3	0	0	0	0	0	112.5	Q370 S377	Q370-A373 PolarHBondContact O-N 2.91Å; A373-S377 PolarHBondContact O-N 2.7Å
374	H	85.4	Confident	82.9	Confident	19 Å²	19	86.3 Å²	86.3	9%	0.088	40%	0.401	C	S	.	.	H	α-helix	trans	-63.8	-48.3	175.2	171.1	67.6	0	0	0	112.7	C359 C362 I366 Q370 W371 Q372 F376 S377 H380	C359-H374 WeakPolarHBondContact CB-NE2 3.26Å; C359-H374 PolarHBondContact SG-NE2 3.07Å; C362-H374 VanDerWaalsContact SG-CE1 3.52Å; I366-H374 HydrophobicContact CD1-CB 4.19Å; I366-H374 WeakPolarHBondContact CD1-ND1 3.32Å; I366-H374 HydrophobicContact CG1-CB 4.23Å; I366-H374 HydrophobicContact CG2-CB 3.7Å; Q370-H374 WeakPolarHBondContact O-CB 3.41Å; Q370-H374 PolarHBondContact O-N 3.18Å; W371-H374 WeakPolarHBondContact O-CB 3.33Å; W371-H374 PolarHBondContact O-N 3.31Å; Q372-H374 PolarHBondContact O-N 3.32Å; H374-F376 VanDerWaalsContact C-N 3.28Å; H374-F376 PolarHBondContact O-N 3.5Å; H374-S377 VanDerWaalsContact O-CB 3.23Å; H374-S377 WeakPolarHBondContact O-CB 3.33Å; H374-S377 PolarHBondContact O-N 2.75Å; H374-S377 VanDerWaalsContact O-N 3.09Å; H374-S377 PolarHBondContact O-OG 3.43Å; H374-H380 AromaticContact CD2-ND1 3.74Å; H374-H380 AromaticContact CE1-ND1 3.87Å; H374-H380 AromaticContact NE2-ND1 3.15Å; H374-H380 PolarHBondContact NE2-ND1 2.76Å; H374-H380 VanDerWaalsContact NE2-ND1 3.15Å; H374-H380 WeakPolarHBondContact O-CB 3.1Å
375	V	86.5	Confident	83.7	Confident	48 Å²	48	83.2 Å²	83.2	29%	0.291	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-34.9	-177.2	174.5	0	0	0	0	111.5	W371 Q372 H380	W371-V375 HydrophobicContact CD2-CG2 4.49Å; W371-V375 WeakPolarHBondContact O-CG2 3.27Å; W371-V375 PolarHBondContact O-N 3.16Å; Q372-V375 PolarHBondContact O-N 2.65Å; Q372-V375 VanDerWaalsContact O-N 3.14Å; V375-H380 PolarHBondContact O-CD2 2.91Å
376	F	87.3	Confident	84.2	Confident	138 Å²	138	84 Å²	84	61%	0.605	41%	0.409	S	S	*	.	H	α-helix	trans	-82.2	-9.5	176.1	-67.2	-67.1	0	0	0	114.8	Q372 H374 R381	Q372-F376 WeakPolarHBondContact O-CD2 3.47Å; Q372-F376 PolarHBondContact O-N 3.24Å; H374-F376 VanDerWaalsContact C-N 3.28Å; H374-F376 PolarHBondContact O-N 3.5Å; F376-R381 PolarHBondContact O-NE 3.02Å; F376-R381 PolarHBondContact O-NH2 3.38Å
377	S	87.2	Confident	84.5	Confident	34 Å²	34	86.1 Å²	86.1	24%	0.238	42%	0.42	C	S	.	.	S	Bend	trans	-60.7	144.5	-177.4	74	0	0	0	0	112.5	A373 H374 K379 H380 R381	A373-S377 PolarHBondContact O-N 2.7Å; H374-S377 VanDerWaalsContact O-CB 3.23Å; H374-S377 WeakPolarHBondContact O-CB 3.33Å; H374-S377 PolarHBondContact O-N 2.75Å; H374-S377 VanDerWaalsContact O-N 3.09Å; H374-S377 PolarHBondContact O-OG 3.43Å; S377-K379 PolarHBondContact O-N 3.28Å; S377-K379 VanDerWaalsContact O-N 3.11Å; S377-H380 PolarHBondContact O-N 3.21Å; S377-H380 VanDerWaalsContact O-N 3.12Å; S377-H380 WeakPolarHBondContact OG-CB 3.39Å; S377-H380 PolarHBondContact OG-N 2.87Å; S377-H380 VanDerWaalsContact OG-N 3.14Å; S377-R381 PolarHBondContact O-N 3.41Å; S377-R381 VanDerWaalsContact O-N 3.13Å
378	K	88.5	Confident	84.9	Confident	170 Å²	170	88.7 Å²	88.7	74%	0.739	43%	0.431	S	S	*	.	H	α-helix	trans	-53.2	-33.7	173.9	-72.2	-175.9	-179.9	178.6	0	111.7	R382	K378-R382 WeakPolarHBondContact O-CB 3.16Å; K378-R382 WeakPolarHBondContact O-CG 3.39Å; K378-R382 PolarHBondContact O-N 3.22Å
379	K	84.8	Confident	85.1	Confident	101 Å²	101	94.6 Å²	94.6	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-67.7	-47	178.5	-172.2	170.1	-170.3	142.5	0	112.5	R364 S377 R381 R382 C383	R364-K379 VanDerWaalsContact NH2-CE 3.29Å; S377-K379 PolarHBondContact O-N 3.28Å; S377-K379 VanDerWaalsContact O-N 3.11Å; K379-R381 VanDerWaalsContact C-N 3.34Å; K379-R381 PolarHBondContact O-N 2.64Å; K379-R382 PolarHBondContact O-N 2.99Å; K379-C383 PolarHBondContact O-N 3.17Å
380	H	86.7	Confident	85.1	Confident	14 Å²	14	94.7 Å²	94.7	7%	0.065	44%	0.443	C	S	.	.	H	α-helix	trans	-61.1	-45.1	177.7	-175	99.9	0	0	0	111.1	C359 C362 H374 V375 S377 R382 C383 K384	C359-H380 PolarHBondContact SG-CE1 3.2Å; C359-H380 PolarHBondContact SG-ND1 3.38Å; C359-H380 VanDerWaalsContact SG-ND1 3.4Å; C362-H380 VanDerWaalsContact SG-CA 3.6Å; C362-H380 PolarHBondContact SG-ND1 3.25Å; H374-H380 AromaticContact CD2-ND1 3.74Å; H374-H380 AromaticContact CE1-ND1 3.87Å; H374-H380 AromaticContact NE2-ND1 3.15Å; H374-H380 PolarHBondContact NE2-ND1 2.76Å; H374-H380 VanDerWaalsContact NE2-ND1 3.15Å; H374-H380 WeakPolarHBondContact O-CB 3.1Å; V375-H380 PolarHBondContact O-CD2 2.91Å; S377-H380 PolarHBondContact O-N 3.21Å; S377-H380 VanDerWaalsContact O-N 3.12Å; S377-H380 WeakPolarHBondContact OG-CB 3.39Å; S377-H380 PolarHBondContact OG-N 2.87Å; S377-H380 VanDerWaalsContact OG-N 3.14Å; H380-R382 VanDerWaalsContact C-N 3.34Å; H380-R382 PolarHBondContact O-N 2.9Å; H380-C383 PolarHBondContact O-N 3.21Å; H380-K384 WeakPolarHBondContact O-CB 3.29Å; H380-K384 PolarHBondContact O-N 3.4Å
381	R	88.4	Confident	85	Confident	154 Å²	154	94.4 Å²	94.4	58%	0.581	44%	0.444	S	S	*	.	H	α-helix	trans	-57.8	-42.8	174.5	-73.3	-173.1	-82.6	173.5	-8.6	112.9	F376 S377 K379 K384 A385	F376-R381 PolarHBondContact O-NE 3.02Å; F376-R381 PolarHBondContact O-NH2 3.38Å; S377-R381 PolarHBondContact O-N 3.41Å; S377-R381 VanDerWaalsContact O-N 3.13Å; K379-R381 VanDerWaalsContact C-N 3.34Å; K379-R381 PolarHBondContact O-N 2.64Å; R381-K384 PolarHBondContact O-N 3.25Å; R381-A385 WeakPolarHBondContact O-CB 3.32Å; R381-A385 PolarHBondContact O-N 3.07Å
382	R	88.4	Confident	84.8	Confident	205 Å²	205	97 Å²	97	77%	0.774	46%	0.459	S	S	*	.	H	α-helix	trans	-62.2	-46.4	174.7	-82	178.6	152.9	-173.5	-6.7	112.9	K378 K379 H380 A385 A386	K378-R382 WeakPolarHBondContact O-CB 3.16Å; K378-R382 WeakPolarHBondContact O-CG 3.39Å; K378-R382 PolarHBondContact O-N 3.22Å; K379-R382 PolarHBondContact O-N 2.99Å; H380-R382 VanDerWaalsContact C-N 3.34Å; H380-R382 PolarHBondContact O-N 2.9Å; R382-A385 PolarHBondContact O-N 3.33Å; R382-A386 WeakPolarHBondContact O-CB 3.49Å; R382-A386 PolarHBondContact O-N 3.38Å
383	C	85.8	Confident	84.1	Confident	38 Å²	38	95.8 Å²	95.8	26%	0.257	46%	0.461	S	S	.	.	H	α-helix	trans	-63.4	-43.3	177.1	-70.5	0	0	0	0	111.5	T361 K379 H380 A386 I387	T361-C383 HydrophobicContact CG2-CB 4.21Å; T361-C383 WeakPolarHBondContact O-CB 3.44Å; K379-C383 PolarHBondContact O-N 3.17Å; H380-C383 PolarHBondContact O-N 3.21Å; C383-A386 PolarHBondContact O-N 3.02Å; C383-I387 WeakPolarHBondContact O-CG1 3.31Å; C383-I387 PolarHBondContact O-N 3.28Å
384	K	88	Confident	83	Confident	115 Å²	115	99.1 Å²	99.1	50%	0.5	47%	0.467	S	S	.	.	H	α-helix	trans	-60.5	-46.3	176.3	-164.6	175.5	179.3	179.2	0	111.5	T361 H380 R381 A386 I387 I388	T361-K384 HydrophobicContact CG2-CB 3.69Å; T361-K384 HydrophobicContact CG2-CG 4.19Å; H380-K384 WeakPolarHBondContact O-CB 3.29Å; H380-K384 PolarHBondContact O-N 3.4Å; R381-K384 PolarHBondContact O-N 3.25Å; K384-A386 VanDerWaalsContact C-N 3.31Å; K384-A386 PolarHBondContact O-N 2.86Å; K384-I387 PolarHBondContact O-N 2.94Å; K384-I388 HydrophobicContact CG-CD1 4.12Å; K384-I388 WeakPolarHBondContact O-CG1 3.46Å; K384-I388 PolarHBondContact O-N 2.88Å
385	A	87.5	Confident	81.8	Confident	41 Å²	41	103.3 Å²	103.3	34%	0.339	50%	0.495	S	S	.	.	H	α-helix	trans	-62.3	-36.7	176.4	0	0	0	0	0	112.6	R381 R382 R389	R381-A385 WeakPolarHBondContact O-CB 3.32Å; R381-A385 PolarHBondContact O-N 3.07Å; R382-A385 PolarHBondContact O-N 3.33Å; A385-R389 WeakPolarHBondContact O-CB 3.48Å; A385-R389 WeakPolarHBondContact O-CG 3.48Å; A385-R389 PolarHBondContact O-N 3.12Å
386	A	84.8	Confident	80	Confident	50 Å²	50	110.9 Å²	110.9	41%	0.413	52%	0.518	S	S	.	.	H	α-helix	trans	-67.9	-36.6	176.3	0	0	0	0	0	112.8	R382 C383 K384 R390	R382-A386 WeakPolarHBondContact O-CB 3.49Å; R382-A386 PolarHBondContact O-N 3.38Å; C383-A386 PolarHBondContact O-N 3.02Å; K384-A386 VanDerWaalsContact C-N 3.31Å; K384-A386 PolarHBondContact O-N 2.86Å; A386-R390 WeakPolarHBondContact O-CG 3.4Å; A386-R390 PolarHBondContact O-N 3.06Å; A386-R390 VanDerWaalsContact O-N 3.13Å
387	I	83.4	Confident	78.2	Confident	66 Å²	66	110 Å²	110	34%	0.338	53%	0.526	S	S	.	.	H	α-helix	trans	-67.4	-49.2	174.4	-67	165.3	0	0	0	110	T361 C383 K384 R389 R390 D391	T361-I387 HydrophobicContact CG2-CD1 3.85Å; C383-I387 WeakPolarHBondContact O-CG1 3.31Å; C383-I387 PolarHBondContact O-N 3.28Å; K384-I387 PolarHBondContact O-N 2.94Å; I387-R389 VanDerWaalsContact C-N 3.29Å; I387-R389 PolarHBondContact O-N 3.38Å; I387-R390 WeakPolarHBondContact O-CB 3.32Å; I387-R390 PolarHBondContact O-N 3.43Å; I387-D391 PolarHBondContact O-N 3.43Å
388	I	84.5	Confident	76.3	Confident	79 Å²	79	118.6 Å²	118.6	41%	0.405	58%	0.577	S	S	.	*	H	α-helix	trans	-56.8	-42.6	177.3	-66.5	165.6	0	0	0	111.4	K384 D391 Q392	K384-I388 HydrophobicContact CG-CD1 4.12Å; K384-I388 WeakPolarHBondContact O-CG1 3.46Å; K384-I388 PolarHBondContact O-N 2.88Å; I388-D391 PolarHBondContact O-N 2.75Å; I388-Q392 HydrophobicContact CG2-CG 4.38Å; I388-Q392 WeakPolarHBondContact O-CB 3.35Å; I388-Q392 VanDerWaalsContact O-CG 3.28Å; I388-Q392 WeakPolarHBondContact O-CG 3.29Å; I388-Q392 PolarHBondContact O-N 3.01Å
389	R	81.8	Confident	75.7	Confident	181 Å²	181	116.1 Å²	116.1	68%	0.683	57%	0.569	S	S	*	*	H	α-helix	trans	-63.5	-40	176.3	-76.5	178.7	-172.3	-179.9	0.3	112.5	A385 I387 T393	A385-R389 WeakPolarHBondContact O-CB 3.48Å; A385-R389 WeakPolarHBondContact O-CG 3.48Å; A385-R389 PolarHBondContact O-N 3.12Å; I387-R389 VanDerWaalsContact C-N 3.29Å; I387-R389 PolarHBondContact O-N 3.38Å; R389-T393 WeakPolarHBondContact O-CG2 3.36Å; R389-T393 PolarHBondContact O-N 3.01Å; R389-T393 PolarHBondContact O-OG1 2.93Å; R389-T393 VanDerWaalsContact O-OG1 3.07Å
390	R	77.7	Confident	75.2	Confident	179 Å²	179	116.8 Å²	116.8	68%	0.675	58%	0.576	S	S	*	*	H	α-helix	trans	-65.4	-43.7	176.5	-79.6	179.3	177.6	175.9	-2.5	111.6	A386 I387 T393 L394	A386-R390 WeakPolarHBondContact O-CG 3.4Å; A386-R390 PolarHBondContact O-N 3.06Å; A386-R390 VanDerWaalsContact O-N 3.13Å; I387-R390 WeakPolarHBondContact O-CB 3.32Å; I387-R390 PolarHBondContact O-N 3.43Å; R390-T393 WeakPolarHBondContact CA-OG1 3.39Å; R390-T393 PolarHBondContact O-N 3.08Å; R390-T393 PolarHBondContact O-OG1 2.68Å; R390-L394 WeakPolarHBondContact O-CG 3.26Å; R390-L394 PolarHBondContact O-N 2.96Å; R390-L394 VanDerWaalsContact O-N 3.09Å
391	D	78.1	Confident	74.6	Confident	87 Å²	87	122.6 Å²	122.6	47%	0.465	60%	0.604	S	S	.	*	H	α-helix	trans	-65.9	-41.5	178.7	-64.5	-16	0	0	0	110.6	I387 I388 T393 L394 T395	I387-D391 PolarHBondContact O-N 3.43Å; I388-D391 PolarHBondContact O-N 2.75Å; D391-T393 VanDerWaalsContact C-N 3.33Å; D391-T393 PolarHBondContact O-N 2.86Å; D391-L394 PolarHBondContact O-N 3.06Å; D391-L394 VanDerWaalsContact O-N 3.11Å; D391-T395 WeakPolarHBondContact O-CG2 3.08Å; D391-T395 PolarHBondContact O-N 2.85Å; D391-T395 PolarHBondContact O-OG1 3.1Å
392	Q	76.7	Confident	73.8	Confident	118 Å²	118	120.7 Å²	120.7	55%	0.551	61%	0.605	S	S	*	*	H	α-helix	trans	-63.2	-34.3	174.4	-75.5	177.3	-13.4	0	0	113.6	I388 L394 T395	I388-Q392 HydrophobicContact CG2-CG 4.38Å; I388-Q392 WeakPolarHBondContact O-CB 3.35Å; I388-Q392 VanDerWaalsContact O-CG 3.28Å; I388-Q392 WeakPolarHBondContact O-CG 3.29Å; I388-Q392 PolarHBondContact O-N 3.01Å; Q392-L394 VanDerWaalsContact C-N 3.34Å; Q392-T395 PolarHBondContact O-OG1 3.26Å
393	T	70	Confident	72.9	Confident	103 Å²	103	115.4 Å²	115.4	63%	0.632	60%	0.595	S	S	*	*	H	α-helix	trans	-72.8	-25.8	174	45.5	0	0	0	0	113.2	R389 R390 D391	R389-T393 WeakPolarHBondContact O-CG2 3.36Å; R389-T393 PolarHBondContact O-N 3.01Å; R389-T393 PolarHBondContact O-OG1 2.93Å; R389-T393 VanDerWaalsContact O-OG1 3.07Å; R390-T393 WeakPolarHBondContact CA-OG1 3.39Å; R390-T393 PolarHBondContact O-N 3.08Å; R390-T393 PolarHBondContact O-OG1 2.68Å; D391-T393 VanDerWaalsContact C-N 3.33Å; D391-T393 PolarHBondContact O-N 2.86Å
394	L	61.9	Low	72	Confident	141 Å²	141	120.6 Å²	120.6	74%	0.738	62%	0.617	S	S	*	*	H	α-helix	trans	-83.9	-23.8	177.3	-71.2	166.9	0	0	0	112.7	R390 D391 Q392	R390-L394 WeakPolarHBondContact O-CG 3.26Å; R390-L394 PolarHBondContact O-N 2.96Å; R390-L394 VanDerWaalsContact O-N 3.09Å; D391-L394 PolarHBondContact O-N 3.06Å; D391-L394 VanDerWaalsContact O-N 3.11Å; Q392-L394 VanDerWaalsContact C-N 3.34Å
395	T	60.1	Low	70.9	Confident	108 Å²	108	121 Å²	121	66%	0.663	63%	0.626	S	S	*	*	S	Bend	trans	-92.6	2.3	178.7	56.9	0	0	0	0	114.2	D391 Q392 P397	D391-T395 WeakPolarHBondContact O-CG2 3.08Å; D391-T395 PolarHBondContact O-N 2.85Å; D391-T395 PolarHBondContact O-OG1 3.1Å; Q392-T395 PolarHBondContact O-OG1 3.26Å; T395-P397 WeakPolarHBondContact O-CD 3.47Å
396	R	48.7	Very low	69.6	Low	207 Å²	207	127.2 Å²	127.2	78%	0.781	65%	0.648	S	S	*	*	S	Bend	trans	-76.1	117.6	169.8	-88.6	-174.5	164.3	-171.6	-6	108.3
397	P	48.5	Very low	68.3	Low	120 Å²	120	133.6 Å²	133.6	78%	0.779	67%	0.667	S	S	*	*			trans	-57.8	141.9	166.3	-11.3	26.2	0	0	0	108.1	T395	T395-P397 WeakPolarHBondContact O-CD 3.47Å
398	V	48.3	Very low	66.9	Low	214 Å²	214	139.7 Å²	139.7	100%	1.297	70%	0.697	S	S	*	*			trans	-59.3	0	168.3	178.6	0	0	0	0	109.7

Retrieved 398 of 398 residues in 222.1 ms (Link to these results)

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