A0A077ZFI3_TRITR Loading...

Adh short and adh short C2 domain containing prot ein

AlphaFold DB , UniProt , Accession A0A077ZFI3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 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	41.3	Very low	35.7	Very low	248 Å²	248	163.9 Å²	163.9	100%	1.222	86%	0.858	S	S	*	*				0	102	0	-75.6	177	-159.2	0	0	106.9
2	E	32.7	Very low	35.8	Very low	179 Å²	179	155.5 Å²	155.5	84%	0.836	84%	0.84	S	S	*	*			trans	-67	142.6	178.4	-65.7	169.1	140.5	0	0	110.2
3	C	35.3	Very low	35.9	Very low	117 Å²	117	157.5 Å²	157.5	79%	0.791	84%	0.836	S	S	*	*			trans	-144.2	90.4	152.1	-149.2	0	0	0	0	108.5
4	I	34.6	Very low	36	Very low	144 Å²	144	155.1 Å²	155.1	74%	0.738	82%	0.822	S	S	*	*			trans	-68.6	116	160.2	-65.9	162.9	0	0	0	106.1
5	L	38.8	Very low	36	Very low	153 Å²	153	155.7 Å²	155.7	80%	0.801	82%	0.815	S	S	*	*			trans	-142.4	94.5	157.4	-96.2	167.4	0	0	0	109.1
6	S	32.1	Very low	36.1	Very low	110 Å²	110	155.2 Å²	155.2	77%	0.769	80%	0.8	S	S	*	*			trans	-67.7	122.7	159.6	63	0	0	0	0	109.1
7	A	37.4	Very low	35.7	Very low	94 Å²	94	153.4 Å²	153.4	78%	0.777	80%	0.803	S	S	*	*			trans	-141.4	106.5	159.6	0	0	0	0	0	108.9	M9	A7-M9 PolarHBondContact O-N 3.43Å
8	R	32.5	Very low	35.7	Very low	249 Å²	249	154.4 Å²	154.4	94%	0.94	80%	0.8	S	S	*	*			trans	-67.9	115.9	164.7	-79.5	174.2	168.9	176.2	-4.1	108.1
9	M	34.9	Very low	35.9	Very low	176 Å²	176	150.8 Å²	150.8	87%	0.867	81%	0.805	S	S	*	*			trans	-142.1	135.9	149.5	-74.5	-149.4	-176.9	0	0	110.1	A7	A7-M9 PolarHBondContact O-N 3.43Å
10	P	35.5	Very low	36.8	Very low	110 Å²	110	150.8 Å²	150.8	71%	0.714	80%	0.799	S	S	*	*	S	Bend	trans	-85.6	138.6	179.9	35.4	-30.6	0	0	0	109.8
11	F	37.6	Very low	38.6	Very low	223 Å²	223	146.9 Å²	146.9	98%	0.978	78%	0.784	S	S	*	*	S	Bend	trans	63.6	76.8	175.5	-61.7	-84.6	0	0	0	116.3
12	G	36.1	Very low	40.7	Very low	63 Å²	63	139.1 Å²	139.1	65%	0.649	74%	0.742	S	S	*	*			trans	-165.7	125.5	165.7	0	0	0	0	0	110.5	I14	G12-I14 PolarHBondContact O-N 3.28Å; G12-I14 VanDerWaalsContact O-N 3.14Å
13	K	37.6	Very low	43.7	Very low	182 Å²	182	133.8 Å²	133.8	79%	0.791	72%	0.718	S	S	*	*			trans	-50.8	116.3	178	-77.3	178.4	172.1	-177.3	0	110.5	F15	K13-F15 HydrophobicContact CB-CD2 4.32Å; K13-F15 HydrophobicContact CB-CE2 4.24Å; K13-F15 HydrophobicContact CD-CE2 4.3Å; K13-F15 PolarHBondContact O-N 3.14Å
14	I	37.8	Very low	46.6	Very low	124 Å²	124	128.2 Å²	128.2	64%	0.636	68%	0.681	S	S	*	*			trans	-78.9	102.9	161.5	-58	173.2	0	0	0	106	G12 Y16	G12-I14 PolarHBondContact O-N 3.28Å; G12-I14 VanDerWaalsContact O-N 3.14Å; I14-Y16 HydrophobicContact CB-CD2 4.16Å; I14-Y16 HydrophobicContact CB-CE2 4.01Å; I14-Y16 HydrophobicContact CD1-CE2 4.39Å; I14-Y16 HydrophobicContact CG2-CD2 3.42Å; I14-Y16 VanDerWaalsContact CG2-CD2 3.42Å; I14-Y16 HydrophobicContact CG2-CE1 4.42Å; I14-Y16 HydrophobicContact CG2-CE2 3.3Å; I14-Y16 HydrophobicContact CG2-CG 4.06Å; I14-Y16 PolarHBondContact O-N 3.39Å; I14-Y16 VanDerWaalsContact O-N 3.13Å
15	F	35.1	Very low	49.7	Very low	163 Å²	163	121.4 Å²	121.4	72%	0.715	65%	0.646	S	S	*	*			trans	-69.2	99.3	161.9	-80.3	-91.1	0	0	0	107.2	K13 C17	K13-F15 HydrophobicContact CB-CD2 4.32Å; K13-F15 HydrophobicContact CB-CE2 4.24Å; K13-F15 HydrophobicContact CD-CE2 4.3Å; K13-F15 PolarHBondContact O-N 3.14Å; F15-C17 PolarHBondContact O-N 3.03Å
16	Y	37.4	Very low	52.5	Low	148 Å²	148	114.1 Å²	114.1	58%	0.58	61%	0.608	S	S	*	*			trans	-78.9	94.6	165.4	-83.7	-81.2	0	0	0	107.7	I14 F18	I14-Y16 HydrophobicContact CB-CD2 4.16Å; I14-Y16 HydrophobicContact CB-CE2 4.01Å; I14-Y16 HydrophobicContact CD1-CE2 4.39Å; I14-Y16 HydrophobicContact CG2-CD2 3.42Å; I14-Y16 VanDerWaalsContact CG2-CD2 3.42Å; I14-Y16 HydrophobicContact CG2-CE1 4.42Å; I14-Y16 HydrophobicContact CG2-CE2 3.3Å; I14-Y16 HydrophobicContact CG2-CG 4.06Å; I14-Y16 PolarHBondContact O-N 3.39Å; I14-Y16 VanDerWaalsContact O-N 3.13Å; Y16-F18 HydrophobicContact CD1-CD2 4.44Å; Y16-F18 PolarHBondContact O-N 3.4Å
17	C	29.4	Very low	55.7	Low	125 Å²	125	108.9 Å²	108.9	85%	0.845	57%	0.571	S	S	*	*			trans	-69	74.1	162.8	-78.1	0	0	0	0	110.1	F15	F15-C17 PolarHBondContact O-N 3.03Å
18	F	36.9	Very low	58.6	Low	171 Å²	171	104.4 Å²	104.4	75%	0.75	53%	0.534	S	S	*	.	S	Bend	trans	-133.5	103.4	160.3	-83.7	-83	0	0	0	105.5	Y16 E20	Y16-F18 HydrophobicContact CD1-CD2 4.44Å; Y16-F18 PolarHBondContact O-N 3.4Å; F18-E20 WeakPolarHBondContact O-CA 3.49Å; F18-E20 PolarHBondContact O-N 3.14Å
19	G	38.5	Very low	61.6	Low	86 Å²	86	93.7 Å²	93.7	89%	0.887	50%	0.501	S	S	*	.			trans	-8	87.4	-173.2	0	0	0	0	0	114.5	S21	G19-S21 PolarHBondContact O-N 2.96Å
20	E	55.1	Low	64.6	Low	150 Å²	150	85.3 Å²	85.3	70%	0.701	46%	0.46	S	S	*	.			trans	-60.4	106.4	-167.1	-74.7	-175.9	163.3	0	0	109.2	F18 R22	F18-E20 WeakPolarHBondContact O-CA 3.49Å; F18-E20 PolarHBondContact O-N 3.14Å; E20-R22 PolarHBondContact O-N 3.46Å
21	S	73	Confident	67.5	Low	69 Å²	69	80.5 Å²	80.5	48%	0.483	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-57.4	127.9	171	57	0	0	0	0	107.9	G19 R102	G19-S21 PolarHBondContact O-N 2.96Å; S21-R102 PolarHBondContact OG-NH1 3.48Å
22	R	87.1	Confident	70.1	Confident	86 Å²	86	71.1 Å²	71.1	33%	0.325	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-52.7	144.3	178	-80.5	-176.6	-89.4	-101.7	15.4	111.5	E20 G46 D48 E72 N73	E20-R22 PolarHBondContact O-N 3.46Å; R22-G46 VanDerWaalsContact CD-O 3.3Å; R22-G46 WeakPolarHBondContact CD-O 3.46Å; R22-D48 IonicContact NE-OD1 3.81Å; R22-D48 IonicContact NE-OD2 3.77Å; R22-E72 PolarHBondContact NH1-O 3.46Å; R22-E72 PolarHBondContact NH2-O 3.3Å; R22-N73 PolarHBondContact NH2-O 3.19Å
23	L	94.8	Very high	72.9	Confident	66 Å²	66	68.9 Å²	68.9	35%	0.346	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-65.6	138.4	174.7	-62.6	177.9	0	0	0	109.6	Y47 D48 D104	L23-Y47 HydrophobicContact CB-CD1 3.53Å; L23-Y47 HydrophobicContact CB-CE1 3.47Å; L23-Y47 VanDerWaalsContact CB-CE1 3.47Å; L23-Y47 HydrophobicContact CB-CG 4.46Å; L23-Y47 HydrophobicContact CD1-CE1 3.74Å; L23-Y47 HydrophobicContact CG-CE1 4.27Å; L23-Y47 WeakPolarHBondContact O-CA 3.46Å; L23-D48 PolarHBondContact O-N 3Å; L23-D104 WeakPolarHBondContact CA-OD2 3.36Å; L23-D104 HydrophobicContact CB-CB 4.28Å; L23-D104 HydrophobicContact CD2-CB 4.11Å
24	T	96.8	Very high	75.6	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.4	-177.9	-59.3	0	0	0	0	111	D48 L50 F100 R102 D104 V105	T24-D48 CarbonylContact C-O 3.54Å; T24-D48 VanDerWaalsContact CA-O 3.31Å; T24-D48 WeakPolarHBondContact CA-O 3.47Å; T24-L50 HydrophobicContact CG2-CD1 3.52Å; T24-F100 HydrophobicContact CG2-CB 3.86Å; T24-F100 HydrophobicContact CG2-CD2 3.79Å; T24-F100 HydrophobicContact CG2-CG 3.91Å; T24-R102 WeakPolarHBondContact CG2-O 3.43Å; T24-R102 WeakPolarHBondContact OG1-CG 3.38Å; T24-D104 PolarHBondContact N-OD2 2.86Å; T24-D104 WeakPolarHBondContact O-CB 3.3Å; T24-D104 PolarHBondContact O-N 3.06Å; T24-V105 PolarHBondContact O-N 3.17Å; T24-V105 VanDerWaalsContact O-N 3.11Å
25	V	98.3	Very high	78.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.2	177.2	64.4	0	0	0	0	111.7	I27 F42 Y47 D48 L49 L50 V105 V107	V25-I27 HydrophobicContact CG1-CD1 4.19Å; V25-I27 HydrophobicContact CG1-CG1 4.41Å; V25-I27 HydrophobicContact CG2-CD1 4.31Å; V25-I27 HydrophobicContact CG2-CG1 3.82Å; V25-F42 HydrophobicContact CB-CD1 3.86Å; V25-F42 HydrophobicContact CB-CE1 4.1Å; V25-F42 HydrophobicContact CG1-CB 3.98Å; V25-F42 HydrophobicContact CG1-CD1 3.64Å; V25-F42 HydrophobicContact CG1-CE1 4.38Å; V25-F42 HydrophobicContact CG1-CG 3.97Å; V25-F42 HydrophobicContact CG2-CD1 3.82Å; V25-F42 HydrophobicContact CG2-CE1 3.73Å; V25-F42 HydrophobicContact CG2-CG 4.35Å; V25-F42 HydrophobicContact CG2-CZ 4.18Å; V25-Y47 HydrophobicContact CB-CD1 4.33Å; V25-Y47 HydrophobicContact CG1-CD1 4.46Å; V25-D48 PolarHBondContact N-O 3.13Å; V25-L49 HydrophobicContact CG1-CB 4.49Å; V25-L49 HydrophobicContact CG1-CD1 3.93Å; V25-L49 HydrophobicContact CG1-CG 3.72Å; V25-L50 PolarHBondContact O-N 3.48Å; V25-V105 CarbonylContact C-O 3.42Å; V25-V105 WeakPolarHBondContact CA-O 3.36Å; V25-V105 HydrophobicContact CB-CB 3.96Å; V25-V105 HydrophobicContact CG2-CB 3.58Å; V25-V105 HydrophobicContact CG2-CG1 3.66Å; V25-V107 HydrophobicContact CG2-CG2 3.99Å
26	L	98.6	Very high	81.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.2	168.9	173.7	63.4	0	0	0	109.9	V28 L50 C52 V92 I93 I103 V105 V107 L141	L26-V28 HydrophobicContact CD1-CG1 4.43Å; L26-V28 HydrophobicContact CG-CG1 4.33Å; L26-L50 WeakPolarHBondContact CA-O 3.4Å; L26-L50 HydrophobicContact CB-CB 4.37Å; L26-L50 HydrophobicContact CB-CD1 4.49Å; L26-L50 HydrophobicContact CD1-CB 3.67Å; L26-C52 HydrophobicContact CD1-CB 4.46Å; L26-V92 HydrophobicContact CD1-CG1 4.02Å; L26-V92 HydrophobicContact CD2-CG1 4.04Å; L26-I93 HydrophobicContact CD2-CD1 3.58Å; L26-I103 HydrophobicContact CB-CG2 4.49Å; L26-V105 PolarHBondContact N-O 3.28Å; L26-V107 PolarHBondContact O-N 3.36Å; L26-L141 HydrophobicContact CD2-CD1 4.24Å; L26-L141 HydrophobicContact CD2-CD2 4.31Å
27	I	98.7	Very high	84.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.1	-179	-54.2	163.9	0	0	0	108.7	V25 A30 I38 F42 L49 L50 C52 V107	V25-I27 HydrophobicContact CG1-CD1 4.19Å; V25-I27 HydrophobicContact CG1-CG1 4.41Å; V25-I27 HydrophobicContact CG2-CD1 4.31Å; V25-I27 HydrophobicContact CG2-CG1 3.82Å; I27-A30 HydrophobicContact CB-CB 4.46Å; I27-A30 HydrophobicContact CG2-CB 4.13Å; I27-I38 HydrophobicContact CD1-CG2 3.93Å; I27-I38 HydrophobicContact CG1-CG2 4.27Å; I27-I38 HydrophobicContact CG2-CG2 4.22Å; I27-F42 HydrophobicContact CD1-CB 4.49Å; I27-F42 HydrophobicContact CD1-CD2 4.48Å; I27-L49 HydrophobicContact CD1-CD2 4.35Å; I27-L50 PolarHBondContact N-O 2.83Å; I27-C52 PolarHBondContact O-N 3.2Å; I27-V107 HydrophobicContact CG1-CB 4.24Å; I27-V107 HydrophobicContact CG1-CG2 4.26Å; I27-V107 HydrophobicContact CG2-CB 4.36Å
28	V	98.3	Very high	87.6	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	143.9	177.4	-59.8	0	0	0	0	112	L26 C52 L83 V107 N109 A110 L141	L26-V28 HydrophobicContact CD1-CG1 4.43Å; L26-V28 HydrophobicContact CG-CG1 4.33Å; V28-C52 HydrophobicContact CB-CB 4.5Å; V28-C52 HydrophobicContact CG1-CB 3.97Å; V28-L83 HydrophobicContact CB-CD1 3.8Å; V28-L83 HydrophobicContact CG1-CD1 3.9Å; V28-L83 HydrophobicContact CG2-CD1 3.97Å; V28-V107 WeakPolarHBondContact CG2-O 3.29Å; V28-V107 PolarHBondContact N-O 2.92Å; V28-V107 VanDerWaalsContact N-O 3.14Å; V28-N109 CarbonylContact O-C 3.59Å; V28-N109 WeakPolarHBondContact O-CA 3.4Å; V28-N109 VanDerWaalsContact O-CB 3.27Å; V28-N109 WeakPolarHBondContact O-CB 3.23Å; V28-N109 PolarHBondContact O-N 3.15Å; V28-N109 PolarHBondContact O-ND2 3.17Å; V28-N109 VanDerWaalsContact O-ND2 3.15Å; V28-A110 HydrophobicContact CB-CB 4.25Å; V28-A110 HydrophobicContact CG2-CB 3.93Å; V28-A110 PolarHBondContact O-N 3.27Å; V28-L141 HydrophobicContact CB-CD2 4.26Å; V28-L141 HydrophobicContact CG1-CD2 3.38Å; V28-L141 HydrophobicContact CG2-CD2 3.86Å
29	G	96.8	Very high	90.6	Very high	24 Å²	24	30.1 Å²	30.1	25%	0.247	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	29	-169.9	0	0	0	0	0	112.8	S31 C52 N109	G29-S31 PolarHBondContact O-N 3.47Å; G29-C52 PolarHBondContact N-O 3.46Å; G29-N109 PolarHBondContact O-ND2 3.21Å
30	A	97.7	Very high	93.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-20.1	-170.8	0	0	0	0	0	114.6	I27 S32 G35 R36 V51 C52 L59 T62	I27-A30 HydrophobicContact CB-CB 4.46Å; I27-A30 HydrophobicContact CG2-CB 4.13Å; A30-S32 PolarHBondContact O-N 3.21Å; A30-G35 CarbonylContact O-C 3.53Å; A30-R36 VanDerWaalsContact O-CA 3.29Å; A30-R36 WeakPolarHBondContact O-CA 3.44Å; A30-R36 PolarHBondContact O-N 3.47Å; A30-R36 VanDerWaalsContact O-N 3.14Å; A30-V51 HydrophobicContact CB-CB 3.68Å; A30-V51 HydrophobicContact CB-CG1 4.05Å; A30-C52 PolarHBondContact N-O 3.42Å; A30-L59 HydrophobicContact CB-CD1 4.2Å; A30-T62 PolarHBondContact O-OG1 2.91Å
31	S	95.7	Very high	95.3	Very high	9 Å²	9	22.7 Å²	22.7	6%	0.063	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.6	-168.8	-48.8	0	0	0	0	115.9	G29 R36 A58 T62	G29-S31 PolarHBondContact O-N 3.47Å; S31-R36 PolarHBondContact O-NE 3.42Å; S31-R36 PolarHBondContact O-NH2 2.85Å; S31-A58 VanDerWaalsContact O-O 3.12Å; S31-T62 PolarHBondContact O-OG1 3.19Å
32	S	93.1	Very high	96.5	Very high	26 Å²	26	19.4 Å²	19.4	18%	0.182	10%	0.104	C	C	.	.	S	Bend	trans	-162.9	165.4	-175.7	59.7	0	0	0	0	113.1	A30 G35 R36 R214	A30-S32 PolarHBondContact O-N 3.21Å; S32-G35 PolarHBondContact O-N 2.95Å; S32-R36 PolarHBondContact O-N 3.04Å; S32-R214 PolarHBondContact OG-NH2 3.46Å
33	G	93.4	Very high	96.9	Very high	15 Å²	15	15.3 Å²	15.3	16%	0.155	9%	0.089	C	C	.	.	H	α-helix	trans	60.1	-136	169.9	0	0	0	0	0	112.8	G35 R36 G37	G33-G35 VanDerWaalsContact C-N 3.31Å; G33-G35 PolarHBondContact O-N 3.46Å; G33-R36 PolarHBondContact O-N 3.27Å; G33-R36 VanDerWaalsContact O-N 3.16Å; G33-G37 PolarHBondContact O-N 3.48Å; G33-G37 VanDerWaalsContact O-N 3.1Å
34	I	96.3	Very high	96.9	Very high	24 Å²	24	13.7 Å²	13.7	12%	0.123	8%	0.083	C	C	.	.	H	α-helix	trans	-55.6	-43.9	180	-70.2	161.7	0	0	0	111.6	R36 G37 I38 N109 V159 P204 I207 T209 V289	I34-R36 VanDerWaalsContact C-N 3.31Å; I34-R36 PolarHBondContact O-N 3.11Å; I34-G37 PolarHBondContact O-N 3.39Å; I34-G37 VanDerWaalsContact O-N 3.12Å; I34-I38 HydrophobicContact CG2-CD1 3.49Å; I34-I38 VanDerWaalsContact CG2-CD1 3.49Å; I34-I38 HydrophobicContact CG2-CG1 4.06Å; I34-I38 VanDerWaalsContact O-CG1 3.29Å; I34-I38 WeakPolarHBondContact O-CG1 3.48Å; I34-I38 PolarHBondContact O-N 3.21Å; I34-N109 WeakPolarHBondContact CG2-OD1 3.25Å; I34-V159 HydrophobicContact CG2-CG1 4.18Å; I34-P204 HydrophobicContact CD1-CG 4.25Å; I34-I207 HydrophobicContact CD1-CB 4.49Å; I34-I207 HydrophobicContact CG1-CG2 4.38Å; I34-T209 HydrophobicContact CD1-CG2 4.26Å; I34-T209 HydrophobicContact CG1-CG2 3.93Å; I34-V289 HydrophobicContact CD1-CG1 4.38Å; I34-V289 HydrophobicContact CG1-CG1 4.34Å; I34-V289 HydrophobicContact CG2-CB 4.44Å; I34-V289 HydrophobicContact CG2-CG1 3.69Å
35	G	97.9	Very high	96.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.2	-38	179.5	0	0	0	0	0	113.7	A30 S32 G33 S39 N109	A30-G35 CarbonylContact O-C 3.53Å; S32-G35 PolarHBondContact O-N 2.95Å; G33-G35 VanDerWaalsContact C-N 3.31Å; G33-G35 PolarHBondContact O-N 3.46Å; G35-S39 WeakPolarHBondContact O-CB 3.27Å; G35-S39 PolarHBondContact O-N 3.03Å; G35-S39 PolarHBondContact O-OG 2.89Å; G35-N109 VanDerWaalsContact CA-ND2 3.27Å; G35-N109 WeakPolarHBondContact CA-ND2 3.43Å; G35-N109 PolarHBondContact N-OD1 2.88Å
36	R	97.4	Very high	96.5	Very high	65 Å²	65	16.9 Å²	16.9	25%	0.245	11%	0.111	C	C	.	.	H	α-helix	trans	-68.1	-42.6	175.2	-177.4	-179.3	-66.7	-173.9	-5.9	111	A30 S31 S32 G33 I34 S39 K40 A58 E61 T62 L65	A30-R36 VanDerWaalsContact O-CA 3.29Å; A30-R36 WeakPolarHBondContact O-CA 3.44Å; A30-R36 PolarHBondContact O-N 3.47Å; A30-R36 VanDerWaalsContact O-N 3.14Å; S31-R36 PolarHBondContact O-NE 3.42Å; S31-R36 PolarHBondContact O-NH2 2.85Å; S32-R36 PolarHBondContact O-N 3.04Å; G33-R36 PolarHBondContact O-N 3.27Å; G33-R36 VanDerWaalsContact O-N 3.16Å; I34-R36 VanDerWaalsContact C-N 3.31Å; I34-R36 PolarHBondContact O-N 3.11Å; R36-S39 WeakPolarHBondContact O-CB 3.24Å; R36-S39 PolarHBondContact O-N 2.88Å; R36-K40 PolarHBondContact O-N 3.39Å; R36-A58 PolarHBondContact NH2-O 3.26Å; R36-E61 IonicContact CZ-OE2 3.98Å; R36-E61 IonicContact NH1-OE2 3.29Å; R36-E61 PolarHBondContact NH1-OE2 2.85Å; R36-E61 IonicContact NH2-OE2 3.77Å; R36-E61 PolarHBondContact NH2-OE2 3.38Å; R36-T62 HydrophobicContact CB-CG2 4.36Å; R36-T62 HydrophobicContact CG-CG2 3.99Å; R36-T62 PolarHBondContact NE-OG1 2.9Å; R36-T62 VanDerWaalsContact NE-OG1 3.12Å; R36-L65 HydrophobicContact CG-CD2 3.89Å
37	G	97.7	Very high	96.4	Very high	11 Å²	11	18 Å²	18	11%	0.113	12%	0.116	C	C	.	.	H	α-helix	trans	-62	-44.2	175.2	0	0	0	0	0	113.4	G33 I34 S39 K40 A41 I286 A290	G33-G37 PolarHBondContact O-N 3.48Å; G33-G37 VanDerWaalsContact O-N 3.1Å; I34-G37 PolarHBondContact O-N 3.39Å; I34-G37 VanDerWaalsContact O-N 3.12Å; G37-S39 VanDerWaalsContact C-N 3.33Å; G37-S39 PolarHBondContact O-N 2.91Å; G37-K40 WeakPolarHBondContact O-CB 3.46Å; G37-K40 PolarHBondContact O-N 3.04Å; G37-A41 PolarHBondContact O-N 3.29Å; G37-I286 VanDerWaalsContact CA-CG2 3.49Å; G37-A290 WeakPolarHBondContact O-CB 3.46Å
38	I	98.6	Very high	96.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-47.5	173.8	-67.4	166.4	0	0	0	109.6	I27 I34 K40 A41 F42 V107 N109 V159 A290 V293	I27-I38 HydrophobicContact CD1-CG2 3.93Å; I27-I38 HydrophobicContact CG1-CG2 4.27Å; I27-I38 HydrophobicContact CG2-CG2 4.22Å; I34-I38 HydrophobicContact CG2-CD1 3.49Å; I34-I38 VanDerWaalsContact CG2-CD1 3.49Å; I34-I38 HydrophobicContact CG2-CG1 4.06Å; I34-I38 VanDerWaalsContact O-CG1 3.29Å; I34-I38 WeakPolarHBondContact O-CG1 3.48Å; I34-I38 PolarHBondContact O-N 3.21Å; I38-K40 VanDerWaalsContact C-N 3.3Å; I38-K40 PolarHBondContact O-N 3.19Å; I38-A41 PolarHBondContact O-N 3.15Å; I38-A41 VanDerWaalsContact O-N 3.15Å; I38-F42 HydrophobicContact CG2-CD2 3.68Å; I38-F42 HydrophobicContact CG2-CE2 3.7Å; I38-F42 WeakPolarHBondContact O-CD2 3.35Å; I38-F42 PolarHBondContact O-N 2.86Å; I38-V107 HydrophobicContact CD1-CG1 4.05Å; I38-V107 HydrophobicContact CG2-CG1 4.25Å; I38-V107 HydrophobicContact CG2-CG2 4.43Å; I38-N109 HydrophobicContact CD1-CB 4.35Å; I38-V159 HydrophobicContact CD1-CG2 3.88Å; I38-A290 HydrophobicContact CG1-CB 4.13Å; I38-V293 HydrophobicContact CD1-CB 4.32Å; I38-V293 HydrophobicContact CD1-CG1 4.21Å; I38-V293 HydrophobicContact CD1-CG2 3.88Å; I38-V293 HydrophobicContact CG1-CB 4.24Å; I38-V293 HydrophobicContact CG1-CG1 4.32Å; I38-V293 HydrophobicContact CG1-CG2 4.21Å; I38-V293 HydrophobicContact CG2-CG1 4.01Å
39	S	98.2	Very high	96.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.2	-45.1	177.9	-53.2	0	0	0	0	111.3	G35 R36 G37 A41 F42 S43 L49 C66	G35-S39 WeakPolarHBondContact O-CB 3.27Å; G35-S39 PolarHBondContact O-N 3.03Å; G35-S39 PolarHBondContact O-OG 2.89Å; R36-S39 WeakPolarHBondContact O-CB 3.24Å; R36-S39 PolarHBondContact O-N 2.88Å; G37-S39 VanDerWaalsContact C-N 3.33Å; G37-S39 PolarHBondContact O-N 2.91Å; S39-A41 PolarHBondContact O-N 3.11Å; S39-F42 PolarHBondContact O-N 3.21Å; S39-S43 WeakPolarHBondContact O-CB 3.32Å; S39-S43 PolarHBondContact O-N 2.87Å; S39-L49 WeakPolarHBondContact O-CD2 3.2Å; S39-C66 WeakPolarHBondContact CB-SG 3.22Å
40	K	97	Very high	96.3	Very high	71 Å²	71	17.6 Å²	17.6	31%	0.309	11%	0.108	S	C	.	.	H	α-helix	trans	-57.6	-50.9	174.4	-174	-177.2	176.2	167.3	0	111.9	R36 G37 I38 F42 S43 S44 L65 E69	R36-K40 PolarHBondContact O-N 3.39Å; G37-K40 WeakPolarHBondContact O-CB 3.46Å; G37-K40 PolarHBondContact O-N 3.04Å; I38-K40 VanDerWaalsContact C-N 3.3Å; I38-K40 PolarHBondContact O-N 3.19Å; K40-F42 PolarHBondContact O-N 3.37Å; K40-S43 WeakPolarHBondContact O-CB 3.19Å; K40-S43 PolarHBondContact O-N 3.3Å; K40-S44 PolarHBondContact O-N 3.12Å; K40-S44 PolarHBondContact O-OG 3.05Å; K40-L65 HydrophobicContact CB-CD2 4.48Å; K40-L65 HydrophobicContact CD-CD2 4.47Å; K40-E69 WeakPolarHBondContact CE-OE1 3.38Å; K40-E69 HydrophobicContact CG-CG 4.26Å; K40-E69 IonicContact NZ-OE1 2.94Å; K40-E69 PolarHBondContact NZ-OE1 3.31Å
41	A	97.1	Very high	96.3	Very high	8 Å²	8	17.6 Å²	17.6	7%	0.066	11%	0.108	C	C	.	.	H	α-helix	trans	-60.5	-43.1	-177.5	0	0	0	0	0	112.8	G37 I38 S39 S44 A45 A290 L294	G37-A41 PolarHBondContact O-N 3.29Å; I38-A41 PolarHBondContact O-N 3.15Å; I38-A41 VanDerWaalsContact O-N 3.15Å; S39-A41 PolarHBondContact O-N 3.11Å; A41-S44 PolarHBondContact O-N 3.26Å; A41-A45 WeakPolarHBondContact O-CB 3.21Å; A41-A45 PolarHBondContact O-N 3.24Å; A41-A290 HydrophobicContact CB-CB 3.97Å; A41-L294 HydrophobicContact CB-CD2 4.33Å
42	F	97.2	Very high	96.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.7	-36.9	176.2	-84.5	-98	0	0	0	112.6	V25 I27 I38 S39 K40 A45 G46 Y47 L49 V105 V107 V293 L294 A297	V25-F42 HydrophobicContact CB-CD1 3.86Å; V25-F42 HydrophobicContact CB-CE1 4.1Å; V25-F42 HydrophobicContact CG1-CB 3.98Å; V25-F42 HydrophobicContact CG1-CD1 3.64Å; V25-F42 HydrophobicContact CG1-CE1 4.38Å; V25-F42 HydrophobicContact CG1-CG 3.97Å; V25-F42 HydrophobicContact CG2-CD1 3.82Å; V25-F42 HydrophobicContact CG2-CE1 3.73Å; V25-F42 HydrophobicContact CG2-CG 4.35Å; V25-F42 HydrophobicContact CG2-CZ 4.18Å; I27-F42 HydrophobicContact CD1-CB 4.49Å; I27-F42 HydrophobicContact CD1-CD2 4.48Å; I38-F42 HydrophobicContact CG2-CD2 3.68Å; I38-F42 HydrophobicContact CG2-CE2 3.7Å; I38-F42 WeakPolarHBondContact O-CD2 3.35Å; I38-F42 PolarHBondContact O-N 2.86Å; S39-F42 PolarHBondContact O-N 3.21Å; K40-F42 PolarHBondContact O-N 3.37Å; F42-A45 CarbonylContact O-C 3.59Å; F42-A45 PolarHBondContact O-N 3.18Å; F42-G46 PolarHBondContact O-N 3.07Å; F42-Y47 AromaticContact CD1-CD1 3.87Å; F42-Y47 HydrophobicContact CD1-CD1 3.87Å; F42-Y47 AromaticContact CD1-CD2 3.83Å; F42-Y47 HydrophobicContact CD1-CD2 3.83Å; F42-Y47 HydrophobicContact CD1-CE1 4.14Å; F42-Y47 HydrophobicContact CD1-CE2 4.12Å; F42-Y47 AromaticContact CD1-CG 3.71Å; F42-Y47 HydrophobicContact CD1-CG 3.71Å; F42-Y47 HydrophobicContact CE1-CD1 4.26Å; F42-Y47 HydrophobicContact CE1-CE1 4.13Å; F42-Y47 HydrophobicContact CE1-CE2 4.48Å; F42-Y47 PolarHBondContact O-N 3.01Å; F42-L49 HydrophobicContact CB-CD1 4.13Å; F42-L49 HydrophobicContact CB-CD2 4.37Å; F42-L49 HydrophobicContact CB-CG 4.4Å; F42-V105 HydrophobicContact CE1-CG1 4.21Å; F42-V105 HydrophobicContact CE1-CG2 4.46Å; F42-V105 HydrophobicContact CZ-CG1 4.24Å; F42-V107 HydrophobicContact CE2-CG2 4.43Å; F42-V107 HydrophobicContact CZ-CG2 4.32Å; F42-V293 HydrophobicContact CE2-CG1 3.96Å; F42-V293 HydrophobicContact CZ-CG1 4.4Å; F42-L294 HydrophobicContact CD1-CD1 3.96Å; F42-L294 HydrophobicContact CD2-CD1 4.13Å; F42-L294 HydrophobicContact CE1-CD1 3.92Å; F42-L294 HydrophobicContact CE2-CB 4.22Å; F42-L294 HydrophobicContact CE2-CD1 4.09Å; F42-L294 HydrophobicContact CG-CD1 4.09Å; F42-L294 HydrophobicContact CZ-CD1 4.01Å; F42-A297 HydrophobicContact CE1-CB 3.86Å; F42-A297 HydrophobicContact CZ-CB 3.48Å; F42-A297 VanDerWaalsContact CZ-CB 3.48Å
43	S	95.7	Very high	96.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62	-47.9	175	-165.5	0	0	0	0	111.4	S39 K40 A45 G46 C66 A70	S39-S43 WeakPolarHBondContact O-CB 3.32Å; S39-S43 PolarHBondContact O-N 2.87Å; K40-S43 WeakPolarHBondContact O-CB 3.19Å; K40-S43 PolarHBondContact O-N 3.3Å; S43-A45 PolarHBondContact O-N 3Å; S43-G46 PolarHBondContact O-N 3.2Å; S43-C66 PolarHBondContact OG-O 3.3Å; S43-A70 WeakPolarHBondContact OG-CA 3.46Å; S43-A70 WeakPolarHBondContact OG-CB 3.32Å
44	S	94.5	Very high	96.7	Very high	33 Å²	33	22.3 Å²	22.3	23%	0.231	12%	0.118	C	C	.	.	H	α-helix	trans	-64.3	-22.3	176	-57.4	0	0	0	0	113.4	K40 A41 K71	K40-S44 PolarHBondContact O-N 3.12Å; K40-S44 PolarHBondContact O-OG 3.05Å; A41-S44 PolarHBondContact O-N 3.26Å; S44-K71 WeakPolarHBondContact O-CD 3.3Å; S44-K71 WeakPolarHBondContact O-CE 3.47Å; S44-K71 PolarHBondContact O-NZ 2.96Å; S44-K71 VanDerWaalsContact O-NZ 3.08Å
45	A	94.1	Very high	96.6	Very high	46 Å²	46	25 Å²	25	38%	0.38	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.2	174.9	0	0	0	0	0	114	A41 F42 S43 Y47 L294	A41-A45 WeakPolarHBondContact O-CB 3.21Å; A41-A45 PolarHBondContact O-N 3.24Å; F42-A45 CarbonylContact O-C 3.59Å; F42-A45 PolarHBondContact O-N 3.18Å; S43-A45 PolarHBondContact O-N 3Å; A45-Y47 HydrophobicContact CB-CD2 3.86Å; A45-Y47 HydrophobicContact CB-CE2 3.93Å; A45-L294 HydrophobicContact CB-CD1 3.93Å; A45-L294 HydrophobicContact CB-CD2 3.94Å
46	G	93.7	Very high	96.5	Very high	21 Å²	21	28.5 Å²	28.5	22%	0.216	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	20.1	173.9	0	0	0	0	0	115.4	R22 F42 S43	R22-G46 VanDerWaalsContact CD-O 3.3Å; R22-G46 WeakPolarHBondContact CD-O 3.46Å; F42-G46 PolarHBondContact O-N 3.07Å; S43-G46 PolarHBondContact O-N 3.2Å
47	Y	95.2	Very high	96.5	Very high	23 Å²	23	31.2 Å²	31.2	9%	0.09	17%	0.173	C	C	.	.			trans	-77.6	153.4	173.1	-72.7	-109.6	0	0	0	110.7	L23 V25 F42 A45 L49 A74 V105 L294	L23-Y47 HydrophobicContact CB-CD1 3.53Å; L23-Y47 HydrophobicContact CB-CE1 3.47Å; L23-Y47 VanDerWaalsContact CB-CE1 3.47Å; L23-Y47 HydrophobicContact CB-CG 4.46Å; L23-Y47 HydrophobicContact CD1-CE1 3.74Å; L23-Y47 HydrophobicContact CG-CE1 4.27Å; L23-Y47 WeakPolarHBondContact O-CA 3.46Å; V25-Y47 HydrophobicContact CB-CD1 4.33Å; V25-Y47 HydrophobicContact CG1-CD1 4.46Å; F42-Y47 AromaticContact CD1-CD1 3.87Å; F42-Y47 HydrophobicContact CD1-CD1 3.87Å; F42-Y47 AromaticContact CD1-CD2 3.83Å; F42-Y47 HydrophobicContact CD1-CD2 3.83Å; F42-Y47 HydrophobicContact CD1-CE1 4.14Å; F42-Y47 HydrophobicContact CD1-CE2 4.12Å; F42-Y47 AromaticContact CD1-CG 3.71Å; F42-Y47 HydrophobicContact CD1-CG 3.71Å; F42-Y47 HydrophobicContact CE1-CD1 4.26Å; F42-Y47 HydrophobicContact CE1-CE1 4.13Å; F42-Y47 HydrophobicContact CE1-CE2 4.48Å; F42-Y47 PolarHBondContact O-N 3.01Å; A45-Y47 HydrophobicContact CB-CD2 3.86Å; A45-Y47 HydrophobicContact CB-CE2 3.93Å; Y47-L49 WeakPolarHBondContact O-CD1 3.42Å; Y47-A74 WeakPolarHBondContact O-CB 3.18Å; Y47-V105 HydrophobicContact CE1-CG2 4.22Å; Y47-L294 HydrophobicContact CE2-CD1 4.12Å
48	D	95.8	Very high	96.4	Very high	18 Å²	18	31.3 Å²	31.3	10%	0.096	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.8	159.8	-77.5	-33.6	0	0	0	109.1	R22 L23 T24 V25 K75 F100	R22-D48 IonicContact NE-OD1 3.81Å; R22-D48 IonicContact NE-OD2 3.77Å; L23-D48 PolarHBondContact O-N 3Å; T24-D48 CarbonylContact C-O 3.54Å; T24-D48 VanDerWaalsContact CA-O 3.31Å; T24-D48 WeakPolarHBondContact CA-O 3.47Å; V25-D48 PolarHBondContact N-O 3.13Å; D48-K75 PolarHBondContact OD1-N 3Å; D48-F100 HydrophobicContact CB-CD1 3.87Å; D48-F100 HydrophobicContact CB-CE1 3.48Å; D48-F100 VanDerWaalsContact CB-CE1 3.48Å; D48-F100 HydrophobicContact CB-CZ 3.89Å
49	L	97.5	Very high	96.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.1	-169.2	-84.4	69.1	0	0	0	112.2	V25 I27 S39 F42 Y47 V51 C66 K75 V76 V77	V25-L49 HydrophobicContact CG1-CB 4.49Å; V25-L49 HydrophobicContact CG1-CD1 3.93Å; V25-L49 HydrophobicContact CG1-CG 3.72Å; I27-L49 HydrophobicContact CD1-CD2 4.35Å; S39-L49 WeakPolarHBondContact O-CD2 3.2Å; F42-L49 HydrophobicContact CB-CD1 4.13Å; F42-L49 HydrophobicContact CB-CD2 4.37Å; F42-L49 HydrophobicContact CB-CG 4.4Å; Y47-L49 WeakPolarHBondContact O-CD1 3.42Å; L49-V51 HydrophobicContact CB-CG1 4.46Å; L49-V51 HydrophobicContact CD2-CG1 4.36Å; L49-C66 HydrophobicContact CD2-CB 4.47Å; L49-K75 PolarHBondContact N-O 2.91Å; L49-V76 HydrophobicContact CB-CB 4.41Å; L49-V76 HydrophobicContact CB-CG1 4.08Å; L49-V76 HydrophobicContact CB-CG2 4.27Å; L49-V76 WeakPolarHBondContact O-CA 3.46Å; L49-V77 PolarHBondContact O-N 2.95Å
50	L	98.1	Very high	96.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	113.8	160.4	-64.6	136.2	0	0	0	107.9	T24 V25 L26 I27 V77 I79 A96 F100	T24-L50 HydrophobicContact CG2-CD1 3.52Å; V25-L50 PolarHBondContact O-N 3.48Å; L26-L50 WeakPolarHBondContact CA-O 3.4Å; L26-L50 HydrophobicContact CB-CB 4.37Å; L26-L50 HydrophobicContact CB-CD1 4.49Å; L26-L50 HydrophobicContact CD1-CB 3.67Å; I27-L50 PolarHBondContact N-O 2.83Å; L50-V77 WeakPolarHBondContact CA-O 3.3Å; L50-V77 HydrophobicContact CD2-CB 4.19Å; L50-V77 HydrophobicContact CD2-CG1 4.35Å; L50-I79 HydrophobicContact CD2-CD1 3.63Å; L50-I79 HydrophobicContact CD2-CG1 4.4Å; L50-A96 HydrophobicContact CD1-CB 3.51Å; L50-A96 VanDerWaalsContact CD2-CA 3.49Å; L50-A96 HydrophobicContact CD2-CB 3.76Å; L50-A96 HydrophobicContact CG-CB 4.18Å; L50-F100 HydrophobicContact CD1-CD2 3.79Å; L50-F100 HydrophobicContact CD1-CE2 4.17Å; L50-F100 HydrophobicContact CD2-CD2 4.01Å; L50-F100 HydrophobicContact CD2-CE2 3.91Å; L50-F100 HydrophobicContact CG-CD2 3.83Å; L50-F100 HydrophobicContact CG-CE2 3.71Å
51	V	98.2	Very high	96.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.5	-179.2	-67.4	0	0	0	0	109.5	A30 L49 L59 V63 V76 V77 P78 I79	A30-V51 HydrophobicContact CB-CB 3.68Å; A30-V51 HydrophobicContact CB-CG1 4.05Å; L49-V51 HydrophobicContact CB-CG1 4.46Å; L49-V51 HydrophobicContact CD2-CG1 4.36Å; V51-L59 HydrophobicContact CB-CD1 4.05Å; V51-L59 HydrophobicContact CG2-CD1 3.93Å; V51-L59 HydrophobicContact CG2-CG 4.38Å; V51-V63 HydrophobicContact CG2-CG2 3.72Å; V51-V76 HydrophobicContact CG1-CG1 4.3Å; V51-V76 HydrophobicContact CG2-CG1 4.06Å; V51-V77 PolarHBondContact N-O 2.96Å; V51-P78 HydrophobicContact CG2-CB 4.42Å; V51-P78 CarbonylContact O-C 3.49Å; V51-P78 WeakPolarHBondContact O-CA 3.47Å; V51-I79 PolarHBondContact O-N 3.46Å
52	C	98.4	Very high	96.3	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.2	-176.1	-178.9	0	0	0	0	112.5	L26 I27 V28 G29 A30 I79	L26-C52 HydrophobicContact CD1-CB 4.46Å; I27-C52 PolarHBondContact O-N 3.2Å; V28-C52 HydrophobicContact CB-CB 4.5Å; V28-C52 HydrophobicContact CG1-CB 3.97Å; G29-C52 PolarHBondContact N-O 3.46Å; A30-C52 PolarHBondContact N-O 3.42Å; C52-I79 WeakPolarHBondContact CA-O 3.29Å; C52-I79 HydrophobicContact CB-CB 4.4Å; C52-I79 PolarHBondContact SG-O 3.18Å
53	G	97.1	Very high	96.3	Very high	6 Å²	6	36.9 Å²	36.9	6%	0.062	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	177.6	177	0	0	0	0	0	113	I79 V80 G81	G53-I79 PolarHBondContact N-O 3.17Å; G53-V80 WeakPolarHBondContact O-CA 3.48Å; G53-G81 PolarHBondContact O-N 3.32Å
54	R	95.5	Very high	96.4	Very high	141 Å²	141	41.6 Å²	41.6	53%	0.532	22%	0.224	S	C	.	.	S	Bend	trans	-96.6	-35.4	-175	-62.3	177.2	-63.3	173.1	-0.4	113.7	G81 D82	R54-G81 WeakPolarHBondContact CG-O 3.43Å; R54-D82 VanDerWaalsContact CD-CG 3.47Å; R54-D82 WeakPolarHBondContact CD-OD2 3.37Å; R54-D82 HydrophobicContact CG-CB 3.96Å; R54-D82 IonicContact NH1-OD2 3.66Å
55	N	94.4	Very high	96.5	Very high	79 Å²	79	42.7 Å²	42.7	42%	0.422	23%	0.227	S	C	.	.			trans	-89.3	114.4	-177.8	-178.6	-60.7	0	0	0	108.3	D57 A58 L59	N55-D57 PolarHBondContact OD1-N 2.97Å; N55-A58 HydrophobicContact CB-CB 4.17Å; N55-A58 VanDerWaalsContact OD1-CB 3.3Å; N55-A58 WeakPolarHBondContact OD1-CB 3.22Å; N55-A58 PolarHBondContact OD1-N 3Å; N55-L59 VanDerWaalsContact O-CB 3.25Å; N55-L59 WeakPolarHBondContact O-CB 3.18Å; N55-L59 PolarHBondContact O-N 2.87Å
56	V	96.1	Very high	96.6	Very high	74 Å²	74	40.5 Å²	40.5	45%	0.448	21%	0.209	S	C	.	.	H	α-helix	trans	-62.5	-53.5	-174.8	-178	0	0	0	0	110.6	A58 L59 E60 V80	V56-A58 PolarHBondContact O-N 2.85Å; V56-L59 WeakPolarHBondContact O-CB 3.23Å; V56-L59 PolarHBondContact O-N 2.79Å; V56-E60 PolarHBondContact O-N 3Å; V56-V80 HydrophobicContact CG2-CG1 4.16Å; V56-V80 HydrophobicContact CG2-CG2 4.06Å
57	D	96.9	Very high	96.7	Very high	122 Å²	122	43.5 Å²	43.5	65%	0.652	22%	0.22	S	C	*	.	H	α-helix	trans	-59.6	-46.9	-176.4	-54	-29.8	0	0	0	112.2	N55 L59 E60 E61	N55-D57 PolarHBondContact OD1-N 2.97Å; D57-L59 VanDerWaalsContact C-N 3.27Å; D57-L59 PolarHBondContact O-N 3.31Å; D57-E60 PolarHBondContact O-N 2.85Å; D57-E61 WeakPolarHBondContact O-CG 3.5Å; D57-E61 PolarHBondContact O-N 3.38Å
58	A	95.3	Very high	96.5	Very high	14 Å²	14	46.7 Å²	46.7	12%	0.116	25%	0.246	C	C	.	.	H	α-helix	trans	-69.6	-24.9	178.9	0	0	0	0	0	112.9	S31 R36 N55 V56 T62	S31-A58 VanDerWaalsContact O-O 3.12Å; R36-A58 PolarHBondContact NH2-O 3.26Å; N55-A58 HydrophobicContact CB-CB 4.17Å; N55-A58 VanDerWaalsContact OD1-CB 3.3Å; N55-A58 WeakPolarHBondContact OD1-CB 3.22Å; N55-A58 PolarHBondContact OD1-N 3Å; V56-A58 PolarHBondContact O-N 2.85Å; A58-T62 PolarHBondContact O-N 2.79Å; A58-T62 PolarHBondContact O-OG1 2.79Å
59	L	96.9	Very high	96.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-74.5	-43.9	172.6	-167.9	64.8	0	0	0	110.4	A30 V51 N55 V56 D57 E61 T62 V63 P78 V80	A30-L59 HydrophobicContact CB-CD1 4.2Å; V51-L59 HydrophobicContact CB-CD1 4.05Å; V51-L59 HydrophobicContact CG2-CD1 3.93Å; V51-L59 HydrophobicContact CG2-CG 4.38Å; N55-L59 VanDerWaalsContact O-CB 3.25Å; N55-L59 WeakPolarHBondContact O-CB 3.18Å; N55-L59 PolarHBondContact O-N 2.87Å; V56-L59 WeakPolarHBondContact O-CB 3.23Å; V56-L59 PolarHBondContact O-N 2.79Å; D57-L59 VanDerWaalsContact C-N 3.27Å; D57-L59 PolarHBondContact O-N 3.31Å; L59-E61 VanDerWaalsContact C-N 3.35Å; L59-E61 PolarHBondContact O-N 2.97Å; L59-T62 CarbonylContact O-C 3.56Å; L59-T62 WeakPolarHBondContact O-CA 3.34Å; L59-T62 VanDerWaalsContact O-CB 3.27Å; L59-T62 WeakPolarHBondContact O-CB 3.39Å; L59-T62 PolarHBondContact O-N 2.76Å; L59-V63 WeakPolarHBondContact O-CG2 3.37Å; L59-V63 PolarHBondContact O-N 3.26Å; L59-P78 HydrophobicContact CD2-CB 3.79Å; L59-P78 HydrophobicContact CG-CB 4.07Å; L59-V80 HydrophobicContact CD2-CG2 4.24Å
60	E	97.4	Very high	95.5	Very high	81 Å²	81	51 Å²	51	38%	0.379	27%	0.27	S	S	.	.	H	α-helix	trans	-60.4	-40.8	173.6	-73.6	-59.7	140.6	0	0	112.2	V56 D57 T62 V63 N64	V56-E60 PolarHBondContact O-N 3Å; D57-E60 PolarHBondContact O-N 2.85Å; E60-T62 PolarHBondContact O-N 2.68Å; E60-V63 WeakPolarHBondContact O-CB 3.38Å; E60-V63 PolarHBondContact O-N 3.47Å; E60-N64 PolarHBondContact O-N 2.94Å; E60-N64 PolarHBondContact O-ND2 3.14Å
61	E	97	Very high	94.6	Very high	104 Å²	104	56.5 Å²	56.5	49%	0.486	30%	0.295	S	S	.	.	H	α-helix	trans	-55.6	-40.6	169.7	-75	176.7	-170	0	0	112.2	R36 D57 L59 L65	R36-E61 IonicContact CZ-OE2 3.98Å; R36-E61 IonicContact NH1-OE2 3.29Å; R36-E61 PolarHBondContact NH1-OE2 2.85Å; R36-E61 IonicContact NH2-OE2 3.77Å; R36-E61 PolarHBondContact NH2-OE2 3.38Å; D57-E61 WeakPolarHBondContact O-CG 3.5Å; D57-E61 PolarHBondContact O-N 3.38Å; L59-E61 VanDerWaalsContact C-N 3.35Å; L59-E61 PolarHBondContact O-N 2.97Å; E61-L65 WeakPolarHBondContact O-CB 3.45Å; E61-L65 PolarHBondContact O-N 3.49Å
62	T	97.5	Very high	93.3	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-69.2	-40.3	178.9	-57.4	0	0	0	0	110.7	A30 S31 R36 A58 L59 E60 L65 C66	A30-T62 PolarHBondContact O-OG1 2.91Å; S31-T62 PolarHBondContact O-OG1 3.19Å; R36-T62 HydrophobicContact CB-CG2 4.36Å; R36-T62 HydrophobicContact CG-CG2 3.99Å; R36-T62 PolarHBondContact NE-OG1 2.9Å; R36-T62 VanDerWaalsContact NE-OG1 3.12Å; A58-T62 PolarHBondContact O-N 2.79Å; A58-T62 PolarHBondContact O-OG1 2.79Å; L59-T62 CarbonylContact O-C 3.56Å; L59-T62 WeakPolarHBondContact O-CA 3.34Å; L59-T62 VanDerWaalsContact O-CB 3.27Å; L59-T62 WeakPolarHBondContact O-CB 3.39Å; L59-T62 PolarHBondContact O-N 2.76Å; E60-T62 PolarHBondContact O-N 2.68Å; T62-L65 PolarHBondContact O-N 2.74Å; T62-C66 WeakPolarHBondContact O-CB 3.45Å; T62-C66 PolarHBondContact O-N 3.27Å; T62-C66 PolarHBondContact O-SG 2.89Å
63	V	97.7	Very high	92.5	Very high	9 Å²	9	70.8 Å²	70.8	6%	0.055	37%	0.366	C	S	.	.	H	α-helix	trans	-59.4	-51.8	174.3	173.6	0	0	0	0	110.5	V51 L59 E60 L65 C66 L67 V76 P78	V51-V63 HydrophobicContact CG2-CG2 3.72Å; L59-V63 WeakPolarHBondContact O-CG2 3.37Å; L59-V63 PolarHBondContact O-N 3.26Å; E60-V63 WeakPolarHBondContact O-CB 3.38Å; E60-V63 PolarHBondContact O-N 3.47Å; V63-L65 VanDerWaalsContact C-N 3.34Å; V63-L65 PolarHBondContact O-N 3.1Å; V63-C66 PolarHBondContact O-N 3.11Å; V63-C66 VanDerWaalsContact O-N 3.13Å; V63-L67 HydrophobicContact CG1-CD1 3.79Å; V63-L67 HydrophobicContact CG1-CG 4.27Å; V63-L67 WeakPolarHBondContact O-CG 3.04Å; V63-L67 PolarHBondContact O-N 3.01Å; V63-V76 HydrophobicContact CB-CG1 4.35Å; V63-V76 HydrophobicContact CG1-CB 4.31Å; V63-V76 HydrophobicContact CG1-CG1 4.2Å; V63-V76 HydrophobicContact CG2-CG1 4.14Å; V63-P78 HydrophobicContact CG2-CB 3.82Å; V63-P78 HydrophobicContact CG2-CG 4.03Å
64	N	96.8	Very high	92	Very high	99 Å²	99	70.8 Å²	70.8	53%	0.529	37%	0.365	S	S	.	.	H	α-helix	trans	-59.7	-43.4	179.9	-71.7	-37.8	0	0	0	112.3	E60 L67 S68	E60-N64 PolarHBondContact O-N 2.94Å; E60-N64 PolarHBondContact O-ND2 3.14Å; N64-L67 PolarHBondContact O-N 3.27Å; N64-S68 PolarHBondContact O-N 3.39Å
65	L	95.9	Very high	91.9	Very high	56 Å²	56	70 Å²	70	29%	0.293	37%	0.366	S	S	.	.	H	α-helix	trans	-58.4	-49.5	173.7	177.4	66.3	0	0	0	111.1	R36 K40 E61 T62 V63 L67 S68 E69	R36-L65 HydrophobicContact CG-CD2 3.89Å; K40-L65 HydrophobicContact CB-CD2 4.48Å; K40-L65 HydrophobicContact CD-CD2 4.47Å; E61-L65 WeakPolarHBondContact O-CB 3.45Å; E61-L65 PolarHBondContact O-N 3.49Å; T62-L65 PolarHBondContact O-N 2.74Å; V63-L65 VanDerWaalsContact C-N 3.34Å; V63-L65 PolarHBondContact O-N 3.1Å; L65-L67 PolarHBondContact O-N 2.96Å; L65-S68 PolarHBondContact O-N 3.46Å; L65-S68 PolarHBondContact O-OG 2.81Å; L65-E69 WeakPolarHBondContact O-CG 3.25Å; L65-E69 PolarHBondContact O-N 3.32Å
66	C	96.7	Very high	92	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63.5	-41.8	-179	-65.7	0	0	0	0	111.8	S39 S43 L49 T62 V63 S68 E69 A70 V76	S39-C66 WeakPolarHBondContact CB-SG 3.22Å; S43-C66 PolarHBondContact OG-O 3.3Å; L49-C66 HydrophobicContact CD2-CB 4.47Å; T62-C66 WeakPolarHBondContact O-CB 3.45Å; T62-C66 PolarHBondContact O-N 3.27Å; T62-C66 PolarHBondContact O-SG 2.89Å; V63-C66 PolarHBondContact O-N 3.11Å; V63-C66 VanDerWaalsContact O-N 3.13Å; C66-S68 VanDerWaalsContact C-N 3.31Å; C66-S68 PolarHBondContact O-N 2.83Å; C66-E69 CarbonylContact O-C 3.56Å; C66-E69 PolarHBondContact O-N 2.93Å; C66-E69 VanDerWaalsContact O-N 3.14Å; C66-A70 WeakPolarHBondContact O-CB 3.09Å; C66-A70 PolarHBondContact O-N 3.28Å; C66-V76 HydrophobicContact CB-CB 4.44Å; C66-V76 HydrophobicContact CB-CG1 4.03Å; C66-V76 HydrophobicContact CB-CG2 3.69Å
67	L	95.4	Very high	92	Very high	84 Å²	84	65 Å²	65	44%	0.44	34%	0.338	S	S	.	.	H	α-helix	trans	-63	-35.2	177.5	-71.4	173.3	0	0	0	112.4	V63 N64 L65 E69 A70 V76	V63-L67 HydrophobicContact CG1-CD1 3.79Å; V63-L67 HydrophobicContact CG1-CG 4.27Å; V63-L67 WeakPolarHBondContact O-CG 3.04Å; V63-L67 PolarHBondContact O-N 3.01Å; N64-L67 PolarHBondContact O-N 3.27Å; L65-L67 PolarHBondContact O-N 2.96Å; L67-E69 PolarHBondContact O-N 3.42Å; L67-A70 PolarHBondContact O-N 3.47Å; L67-V76 HydrophobicContact CD2-CB 4.12Å; L67-V76 HydrophobicContact CD2-CG2 3.88Å; L67-V76 HydrophobicContact CG-CB 4.28Å; L67-V76 HydrophobicContact CG-CG2 4.18Å
68	S	92.7	Very high	92.1	Very high	90 Å²	90	61.2 Å²	61.2	63%	0.629	32%	0.32	S	S	*	.	H	α-helix	trans	-67.6	-20	176	72.1	0	0	0	0	114.1	N64 L65 C66	N64-S68 PolarHBondContact O-N 3.39Å; L65-S68 PolarHBondContact O-N 3.46Å; L65-S68 PolarHBondContact O-OG 2.81Å; C66-S68 VanDerWaalsContact C-N 3.31Å; C66-S68 PolarHBondContact O-N 2.83Å
69	E	87.4	Confident	92.2	Very high	77 Å²	77	60.7 Å²	60.7	36%	0.36	32%	0.315	S	S	.	.	H	α-helix	trans	-110.2	-4	-177	-62.4	-83.7	-168.5	0	0	112.2	K40 L65 C66 L67	K40-E69 WeakPolarHBondContact CE-OE1 3.38Å; K40-E69 HydrophobicContact CG-CG 4.26Å; K40-E69 IonicContact NZ-OE1 2.94Å; K40-E69 PolarHBondContact NZ-OE1 3.31Å; L65-E69 WeakPolarHBondContact O-CG 3.25Å; L65-E69 PolarHBondContact O-N 3.32Å; C66-E69 CarbonylContact O-C 3.56Å; C66-E69 PolarHBondContact O-N 2.93Å; C66-E69 VanDerWaalsContact O-N 3.14Å; L67-E69 PolarHBondContact O-N 3.42Å
70	A	83.8	Confident	92.2	Very high	31 Å²	31	63.9 Å²	63.9	26%	0.256	33%	0.334	S	S	.	.			trans	-70	134.1	-174.1	0	0	0	0	0	111	S43 C66 L67 A74	S43-A70 WeakPolarHBondContact OG-CA 3.46Å; S43-A70 WeakPolarHBondContact OG-CB 3.32Å; C66-A70 WeakPolarHBondContact O-CB 3.09Å; C66-A70 PolarHBondContact O-N 3.28Å; L67-A70 PolarHBondContact O-N 3.47Å; A70-A74 HydrophobicContact CB-CB 4.24Å
71	K	79.3	Confident	92.2	Very high	117 Å²	117	60.4 Å²	60.4	51%	0.509	32%	0.32	S	S	.	.			trans	-86.7	144.9	169.4	-67.3	-179.7	-179.7	162.4	0	110.3	S44 N73 A74	S44-K71 WeakPolarHBondContact O-CD 3.3Å; S44-K71 WeakPolarHBondContact O-CE 3.47Å; S44-K71 PolarHBondContact O-NZ 2.96Å; S44-K71 VanDerWaalsContact O-NZ 3.08Å; K71-N73 PolarHBondContact O-N 3.47Å; K71-A74 VanDerWaalsContact O-CB 3.28Å; K71-A74 WeakPolarHBondContact O-CB 3.39Å; K71-A74 PolarHBondContact O-N 2.9Å
72	E	70.5	Confident	92.2	Very high	155 Å²	155	57.7 Å²	57.7	72%	0.724	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	48.1	156.6	-60.4	175.6	-171.5	0	0	116.2	R22 A74	R22-E72 PolarHBondContact NH1-O 3.46Å; R22-E72 PolarHBondContact NH2-O 3.3Å; E72-A74 PolarHBondContact O-N 2.89Å
73	N	81.9	Confident	92.2	Very high	146 Å²	146	58.3 Å²	58.3	78%	0.781	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	27.5	179.2	-50.9	-40	0	0	0	113.7	R22 K71	R22-N73 PolarHBondContact NH2-O 3.19Å; K71-N73 PolarHBondContact O-N 3.47Å
74	A	86.7	Confident	92.1	Very high	6 Å²	6	59.4 Å²	59.4	5%	0.05	32%	0.319	C	S	.	.			trans	-56.9	137.8	167.1	0	0	0	0	0	109.9	Y47 A70 K71 E72	Y47-A74 WeakPolarHBondContact O-CB 3.18Å; A70-A74 HydrophobicContact CB-CB 4.24Å; K71-A74 VanDerWaalsContact O-CB 3.28Å; K71-A74 WeakPolarHBondContact O-CB 3.39Å; K71-A74 PolarHBondContact O-N 2.9Å; E72-A74 PolarHBondContact O-N 2.89Å
75	K	93.4	Very high	92.1	Very high	126 Å²	126	58.5 Å²	58.5	55%	0.548	32%	0.317	S	S	.	.			trans	-97.7	144.8	-177.1	-64.5	179.1	-176.2	170.9	0	110	D48 L49 F100	D48-K75 PolarHBondContact OD1-N 3Å; L49-K75 PolarHBondContact N-O 2.91Å; K75-F100 HydrophobicContact CB-CE1 3.81Å; K75-F100 HydrophobicContact CB-CZ 3.75Å; K75-F100 HydrophobicContact CD-CE1 3.89Å; K75-F100 HydrophobicContact CD-CZ 4.43Å; K75-F100 HydrophobicContact CG-CE1 4.41Å
76	V	96.4	Very high	92.2	Very high	15 Å²	15	60.3 Å²	60.3	9%	0.091	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	116.2	173	-172.1	0	0	0	0	107.6	L49 V51 V63 C66 L67	L49-V76 HydrophobicContact CB-CB 4.41Å; L49-V76 HydrophobicContact CB-CG1 4.08Å; L49-V76 HydrophobicContact CB-CG2 4.27Å; L49-V76 WeakPolarHBondContact O-CA 3.46Å; V51-V76 HydrophobicContact CG1-CG1 4.3Å; V51-V76 HydrophobicContact CG2-CG1 4.06Å; V63-V76 HydrophobicContact CB-CG1 4.35Å; V63-V76 HydrophobicContact CG1-CB 4.31Å; V63-V76 HydrophobicContact CG1-CG1 4.2Å; V63-V76 HydrophobicContact CG2-CG1 4.14Å; C66-V76 HydrophobicContact CB-CB 4.44Å; C66-V76 HydrophobicContact CB-CG1 4.03Å; C66-V76 HydrophobicContact CB-CG2 3.69Å; L67-V76 HydrophobicContact CD2-CB 4.12Å; L67-V76 HydrophobicContact CD2-CG2 3.88Å; L67-V76 HydrophobicContact CG-CB 4.28Å; L67-V76 HydrophobicContact CG-CG2 4.18Å
77	V	96.5	Very high	92.2	Very high	31 Å²	31	62.8 Å²	62.8	19%	0.188	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.6	-175.7	-179.7	0	0	0	0	109.6	L49 L50 V51 K99 F100	L49-V77 PolarHBondContact O-N 2.95Å; L50-V77 WeakPolarHBondContact CA-O 3.3Å; L50-V77 HydrophobicContact CD2-CB 4.19Å; L50-V77 HydrophobicContact CD2-CG1 4.35Å; V51-V77 PolarHBondContact N-O 2.96Å; V77-K99 HydrophobicContact CG1-CD 4.5Å; V77-K99 HydrophobicContact CG1-CG 4.22Å; V77-F100 HydrophobicContact CB-CE2 4.26Å; V77-F100 HydrophobicContact CG2-CE2 3.73Å; V77-F100 HydrophobicContact CG2-CZ 3.69Å
78	P	98	Very high	92.3	Very high	44 Å²	44	59.4 Å²	59.4	29%	0.286	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	139.6	172.7	29.6	-31.6	0	0	0	111.4	V51 L59 V63	V51-P78 HydrophobicContact CG2-CB 4.42Å; V51-P78 CarbonylContact O-C 3.49Å; V51-P78 WeakPolarHBondContact O-CA 3.47Å; L59-P78 HydrophobicContact CD2-CB 3.79Å; L59-P78 HydrophobicContact CG-CB 4.07Å; V63-P78 HydrophobicContact CG2-CB 3.82Å; V63-P78 HydrophobicContact CG2-CG 4.03Å
79	I	98	Very high	92.6	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.015	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	113.5	168.7	-60.6	176.9	0	0	0	108.9	L50 V51 C52 G53 V92 E95 A96	L50-I79 HydrophobicContact CD2-CD1 3.63Å; L50-I79 HydrophobicContact CD2-CG1 4.4Å; V51-I79 PolarHBondContact O-N 3.46Å; C52-I79 WeakPolarHBondContact CA-O 3.29Å; C52-I79 HydrophobicContact CB-CB 4.4Å; C52-I79 PolarHBondContact SG-O 3.18Å; G53-I79 PolarHBondContact N-O 3.17Å; I79-V92 HydrophobicContact CD1-CG1 4.43Å; I79-V92 HydrophobicContact CG2-CB 4.42Å; I79-V92 HydrophobicContact CG2-CG1 4.4Å; I79-V92 HydrophobicContact CG2-CG2 3.86Å; I79-E95 HydrophobicContact CD1-CB 3.9Å; I79-A96 HydrophobicContact CD1-CB 4.37Å
80	V	97.6	Very high	93.1	Very high	67 Å²	67	55.5 Å²	55.5	41%	0.406	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.3	177.8	-176.2	0	0	0	0	109.7	G53 V56 L59 R91	G53-V80 WeakPolarHBondContact O-CA 3.48Å; V56-V80 HydrophobicContact CG2-CG1 4.16Å; V56-V80 HydrophobicContact CG2-CG2 4.06Å; L59-V80 HydrophobicContact CD2-CG2 4.24Å; V80-R91 PolarHBondContact O-NH1 3.02Å; V80-R91 VanDerWaalsContact O-NH1 3.15Å; V80-R91 PolarHBondContact O-NH2 3.29Å
81	G	96.2	Very high	93.8	Very high	8 Å²	8	58.2 Å²	58.2	8%	0.082	32%	0.324	C	S	.	.			trans	-174.7	142.2	179.3	0	0	0	0	0	114.5	G53 R54	G53-G81 PolarHBondContact O-N 3.32Å; R54-G81 WeakPolarHBondContact CG-O 3.43Å
82	D	96.9	Very high	94.7	Very high	48 Å²	48	52.7 Å²	52.7	26%	0.257	30%	0.3	S	S	.	.			trans	-97.4	107.4	164.6	-168.3	-32.3	0	0	0	109.2	R54 T84 V85 T88	R54-D82 VanDerWaalsContact CD-CG 3.47Å; R54-D82 WeakPolarHBondContact CD-OD2 3.37Å; R54-D82 HydrophobicContact CG-CB 3.96Å; R54-D82 IonicContact NH1-OD2 3.66Å; D82-T84 VanDerWaalsContact CG-OG1 3.31Å; D82-T84 PolarHBondContact O-N 2.91Å; D82-T84 WeakPolarHBondContact OD1-CB 3.35Å; D82-T84 WeakPolarHBondContact OD1-CG2 3.37Å; D82-T84 PolarHBondContact OD1-N 3.44Å; D82-T84 PolarHBondContact OD1-OG1 2.94Å; D82-V85 HydrophobicContact CB-CG2 4.04Å; D82-V85 WeakPolarHBondContact O-CB 3.24Å; D82-V85 PolarHBondContact O-N 2.79Å; D82-T88 WeakPolarHBondContact O-CB 3.45Å; D82-T88 WeakPolarHBondContact O-CG2 3.24Å; D82-T88 PolarHBondContact O-OG1 3.3Å
83	L	97.7	Very high	96	Very high	12 Å²	12	45.3 Å²	45.3	6%	0.063	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-7.2	-178.1	-55.7	-172.1	0	0	0	113.8	V28 V85 T88 V92 A110 L141	V28-L83 HydrophobicContact CB-CD1 3.8Å; V28-L83 HydrophobicContact CG1-CD1 3.9Å; V28-L83 HydrophobicContact CG2-CD1 3.97Å; L83-V85 VanDerWaalsContact C-N 3.31Å; L83-T88 HydrophobicContact CD2-CG2 4.09Å; L83-V92 HydrophobicContact CD2-CG2 4.04Å; L83-A110 HydrophobicContact CD1-CB 4.4Å; L83-L141 HydrophobicContact CD1-CD2 4.38Å
84	T	96.6	Very high	96.8	Very high	32 Å²	32	42.4 Å²	42.4	20%	0.196	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.2	173.3	70.9	0	0	0	0	113	D82 K132 N133	D82-T84 VanDerWaalsContact CG-OG1 3.31Å; D82-T84 PolarHBondContact O-N 2.91Å; D82-T84 WeakPolarHBondContact OD1-CB 3.35Å; D82-T84 WeakPolarHBondContact OD1-CG2 3.37Å; D82-T84 PolarHBondContact OD1-N 3.44Å; D82-T84 PolarHBondContact OD1-OG1 2.94Å; T84-K132 HydrophobicContact CG2-CG 4.33Å; T84-K132 WeakPolarHBondContact O-CE 3.49Å; T84-K132 PolarHBondContact O-NZ 2.99Å; T84-N133 HydrophobicContact CG2-CB 4.27Å
85	V	97.5	Very high	97.2	Very high	81 Å²	81	45.3 Å²	45.3	49%	0.491	26%	0.263	S	S	.	.	S	Bend	trans	-91.8	126.7	176.5	176.8	0	0	0	0	109.3	D82 L83 G87 T88	D82-V85 HydrophobicContact CB-CG2 4.04Å; D82-V85 WeakPolarHBondContact O-CB 3.24Å; D82-V85 PolarHBondContact O-N 2.79Å; L83-V85 VanDerWaalsContact C-N 3.31Å; V85-G87 PolarHBondContact O-N 3.16Å; V85-T88 WeakPolarHBondContact O-CB 3.43Å; V85-T88 PolarHBondContact O-N 3.49Å; V85-T88 PolarHBondContact O-OG1 3.31Å
86	A	96.5	Very high	97.3	Very high	93 Å²	93	39.3 Å²	39.3	77%	0.769	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	137.1	-178.8	0	0	0	0	0	112.1	T88	A86-T88 PolarHBondContact O-N 3.3Å
87	G	97.5	Very high	97.3	Very high	53 Å²	53	39.9 Å²	39.9	55%	0.546	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	-13.2	-178.6	0	0	0	0	0	115	V85 C89 Q90 R91	V85-G87 PolarHBondContact O-N 3.16Å; G87-C89 PolarHBondContact O-N 3.24Å; G87-Q90 PolarHBondContact O-N 3.33Å; G87-R91 PolarHBondContact O-N 3.49Å
88	T	98.2	Very high	97.2	Very high	12 Å²	12	42.6 Å²	42.6	7%	0.074	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-41.4	-179.6	-61.8	0	0	0	0	112.3	D82 L83 V85 A86 Q90 R91 V92	D82-T88 WeakPolarHBondContact O-CB 3.45Å; D82-T88 WeakPolarHBondContact O-CG2 3.24Å; D82-T88 PolarHBondContact O-OG1 3.3Å; L83-T88 HydrophobicContact CD2-CG2 4.09Å; V85-T88 WeakPolarHBondContact O-CB 3.43Å; V85-T88 PolarHBondContact O-N 3.49Å; V85-T88 PolarHBondContact O-OG1 3.31Å; A86-T88 PolarHBondContact O-N 3.3Å; T88-Q90 VanDerWaalsContact C-N 3.33Å; T88-Q90 PolarHBondContact O-N 2.94Å; T88-R91 PolarHBondContact O-N 3.48Å; T88-V92 HydrophobicContact CG2-CG2 4.09Å; T88-V92 VanDerWaalsContact O-CG2 3.25Å; T88-V92 WeakPolarHBondContact O-CG2 3.46Å; T88-V92 PolarHBondContact O-N 3.01Å
89	C	98.3	Very high	97.1	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.02	27%	0.273	C	S	.	.	H	α-helix	trans	-57.3	-45.7	176.9	-66	0	0	0	0	111.7	G87 V92 I93 E140 L141	G87-C89 PolarHBondContact O-N 3.24Å; C89-V92 PolarHBondContact O-N 2.78Å; C89-I93 WeakPolarHBondContact O-CG1 3.46Å; C89-I93 PolarHBondContact O-N 2.86Å; C89-I93 VanDerWaalsContact O-N 3.15Å; C89-E140 HydrophobicContact CB-CB 4.24Å; C89-L141 HydrophobicContact CB-CB 4.47Å; C89-L141 HydrophobicContact CB-CD1 4.31Å
90	Q	98.2	Very high	96.8	Very high	82 Å²	82	47.7 Å²	47.7	38%	0.383	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-47.9	177.3	-172.7	59.2	53.5	0	0	111.4	G87 T88 V92 I93 D94 C144	G87-Q90 PolarHBondContact O-N 3.33Å; T88-Q90 VanDerWaalsContact C-N 3.33Å; T88-Q90 PolarHBondContact O-N 2.94Å; Q90-V92 VanDerWaalsContact C-N 3.31Å; Q90-V92 PolarHBondContact O-N 2.89Å; Q90-I93 PolarHBondContact O-N 2.85Å; Q90-I93 VanDerWaalsContact O-N 3.11Å; Q90-D94 PolarHBondContact NE2-OD1 3.43Å; Q90-D94 VanDerWaalsContact O-CG 3.25Å; Q90-D94 PolarHBondContact O-N 2.88Å; Q90-C144 PolarHBondContact OE1-SG 2.82Å
91	R	98.1	Very high	96.6	Very high	89 Å²	89	49.7 Å²	49.7	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-57	-43.5	177.1	179.6	-175.4	59.1	84.2	-4.6	112.2	V80 G87 T88 I93 D94 E95	V80-R91 PolarHBondContact O-NH1 3.02Å; V80-R91 VanDerWaalsContact O-NH1 3.15Å; V80-R91 PolarHBondContact O-NH2 3.29Å; G87-R91 PolarHBondContact O-N 3.49Å; T88-R91 PolarHBondContact O-N 3.48Å; R91-I93 VanDerWaalsContact C-N 3.31Å; R91-I93 PolarHBondContact O-N 2.93Å; R91-D94 PolarHBondContact O-N 2.85Å; R91-E95 WeakPolarHBondContact CD-OE1 3.31Å; R91-E95 HydrophobicContact CG-CG 4.42Å; R91-E95 VanDerWaalsContact CG-OE1 3.24Å; R91-E95 WeakPolarHBondContact CG-OE1 3.21Å; R91-E95 IonicContact CZ-OE1 3.26Å; R91-E95 IonicContact NE-OE1 3.08Å; R91-E95 IonicContact NH1-OE1 2.63Å; R91-E95 PolarHBondContact NH1-OE1 2.76Å; R91-E95 WeakPolarHBondContact O-CB 3.48Å; R91-E95 WeakPolarHBondContact O-CG 3.32Å; R91-E95 PolarHBondContact O-N 3.5Å
92	V	98.1	Very high	96.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-41.9	177.7	169.4	0	0	0	0	111	L26 I79 L83 T88 C89 Q90 A96 L141	L26-V92 HydrophobicContact CD1-CG1 4.02Å; L26-V92 HydrophobicContact CD2-CG1 4.04Å; I79-V92 HydrophobicContact CD1-CG1 4.43Å; I79-V92 HydrophobicContact CG2-CB 4.42Å; I79-V92 HydrophobicContact CG2-CG1 4.4Å; I79-V92 HydrophobicContact CG2-CG2 3.86Å; L83-V92 HydrophobicContact CD2-CG2 4.04Å; T88-V92 HydrophobicContact CG2-CG2 4.09Å; T88-V92 VanDerWaalsContact O-CG2 3.25Å; T88-V92 WeakPolarHBondContact O-CG2 3.46Å; T88-V92 PolarHBondContact O-N 3.01Å; C89-V92 PolarHBondContact O-N 2.78Å; Q90-V92 VanDerWaalsContact C-N 3.31Å; Q90-V92 PolarHBondContact O-N 2.89Å; V92-A96 VanDerWaalsContact O-CB 3.26Å; V92-A96 WeakPolarHBondContact O-CB 3.39Å; V92-A96 PolarHBondContact O-N 2.9Å; V92-L141 HydrophobicContact CB-CD1 4.42Å; V92-L141 HydrophobicContact CG1-CD1 4.15Å
93	I	98.1	Very high	96.6	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.6	-44	176.3	-63.6	-54.4	0	0	0	111.5	L26 C89 Q90 R91 E95 A96 V97 I103 L141 C144 A145	L26-I93 HydrophobicContact CD2-CD1 3.58Å; C89-I93 WeakPolarHBondContact O-CG1 3.46Å; C89-I93 PolarHBondContact O-N 2.86Å; C89-I93 VanDerWaalsContact O-N 3.15Å; Q90-I93 PolarHBondContact O-N 2.85Å; Q90-I93 VanDerWaalsContact O-N 3.11Å; R91-I93 VanDerWaalsContact C-N 3.31Å; R91-I93 PolarHBondContact O-N 2.93Å; I93-E95 PolarHBondContact O-N 2.89Å; I93-A96 WeakPolarHBondContact O-CB 3.38Å; I93-A96 PolarHBondContact O-N 3.11Å; I93-V97 HydrophobicContact CG2-CG2 4.23Å; I93-V97 VanDerWaalsContact O-CG2 3.24Å; I93-V97 WeakPolarHBondContact O-CG2 3.43Å; I93-V97 PolarHBondContact O-N 2.87Å; I93-I103 HydrophobicContact CD1-CD1 3.92Å; I93-I103 HydrophobicContact CG2-CD1 4.25Å; I93-L141 HydrophobicContact CD1-CD1 3.93Å; I93-L141 HydrophobicContact CD1-CG 4.44Å; I93-L141 HydrophobicContact CG1-CD1 4.17Å; I93-C144 HydrophobicContact CB-CB 4.32Å; I93-C144 HydrophobicContact CG1-CB 3.62Å; I93-A145 HydrophobicContact CD1-CB 3.75Å; I93-A145 HydrophobicContact CG1-CB 4.42Å
94	D	97.8	Very high	96.6	Very high	86 Å²	86	49.8 Å²	49.8	46%	0.46	28%	0.281	S	S	.	.	H	α-helix	trans	-62.1	-44.7	179	-63.6	-20.9	0	0	0	111.3	Q90 R91 V97 S98	Q90-D94 PolarHBondContact NE2-OD1 3.43Å; Q90-D94 VanDerWaalsContact O-CG 3.25Å; Q90-D94 PolarHBondContact O-N 2.88Å; R91-D94 PolarHBondContact O-N 2.85Å; D94-V97 PolarHBondContact O-N 3.26Å; D94-S98 WeakPolarHBondContact O-CB 3.31Å; D94-S98 PolarHBondContact O-N 2.81Å
95	E	96.6	Very high	96.7	Very high	66 Å²	66	48.5 Å²	48.5	31%	0.308	27%	0.273	S	S	.	.	H	α-helix	trans	-61.5	-43.8	173.8	-74.7	-177.2	-134.7	0	0	111.1	I79 R91 I93 V97 S98 K99	I79-E95 HydrophobicContact CD1-CB 3.9Å; R91-E95 WeakPolarHBondContact CD-OE1 3.31Å; R91-E95 HydrophobicContact CG-CG 4.42Å; R91-E95 VanDerWaalsContact CG-OE1 3.24Å; R91-E95 WeakPolarHBondContact CG-OE1 3.21Å; R91-E95 IonicContact CZ-OE1 3.26Å; R91-E95 IonicContact NE-OE1 3.08Å; R91-E95 IonicContact NH1-OE1 2.63Å; R91-E95 PolarHBondContact NH1-OE1 2.76Å; R91-E95 WeakPolarHBondContact O-CB 3.48Å; R91-E95 WeakPolarHBondContact O-CG 3.32Å; R91-E95 PolarHBondContact O-N 3.5Å; I93-E95 PolarHBondContact O-N 2.89Å; E95-V97 PolarHBondContact O-N 2.96Å; E95-S98 PolarHBondContact O-N 3.29Å; E95-S98 PolarHBondContact O-OG 3.28Å; E95-K99 VanDerWaalsContact O-CG 3.31Å; E95-K99 WeakPolarHBondContact O-CG 3.41Å; E95-K99 PolarHBondContact O-N 3.13Å
96	A	94.9	Very high	96.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.3	-48.2	177.7	0	0	0	0	0	113.1	L50 I79 V92 I93 S98 K99 F100 I103	L50-A96 HydrophobicContact CD1-CB 3.51Å; L50-A96 VanDerWaalsContact CD2-CA 3.49Å; L50-A96 HydrophobicContact CD2-CB 3.76Å; L50-A96 HydrophobicContact CG-CB 4.18Å; I79-A96 HydrophobicContact CD1-CB 4.37Å; V92-A96 VanDerWaalsContact O-CB 3.26Å; V92-A96 WeakPolarHBondContact O-CB 3.39Å; V92-A96 PolarHBondContact O-N 2.9Å; I93-A96 WeakPolarHBondContact O-CB 3.38Å; I93-A96 PolarHBondContact O-N 3.11Å; A96-S98 VanDerWaalsContact C-N 3.34Å; A96-S98 PolarHBondContact O-N 3.26Å; A96-K99 PolarHBondContact O-N 3.45Å; A96-F100 PolarHBondContact O-N 2.85Å; A96-I103 HydrophobicContact CB-CD1 3.91Å; A96-I103 HydrophobicContact CB-CG1 4.4Å
97	V	95.3	Very high	96.9	Very high	28 Å²	28	40.2 Å²	40.2	17%	0.17	21%	0.213	C	C	.	.	H	α-helix	trans	-67	-37.2	179.3	175.7	0	0	0	0	110.7	I93 D94 E95 K99 F100 D101 I103 H148	I93-V97 HydrophobicContact CG2-CG2 4.23Å; I93-V97 VanDerWaalsContact O-CG2 3.24Å; I93-V97 WeakPolarHBondContact O-CG2 3.43Å; I93-V97 PolarHBondContact O-N 2.87Å; D94-V97 PolarHBondContact O-N 3.26Å; E95-V97 PolarHBondContact O-N 2.96Å; V97-K99 PolarHBondContact O-N 3.23Å; V97-K99 VanDerWaalsContact O-N 3.16Å; V97-F100 PolarHBondContact O-N 2.8Å; V97-D101 WeakPolarHBondContact O-CA 3.43Å; V97-D101 PolarHBondContact O-N 3.24Å; V97-I103 HydrophobicContact CG2-CD1 4.09Å; V97-I103 HydrophobicContact CG2-CG1 4.37Å; V97-H148 WeakPolarHBondContact CG2-CE1 3.47Å; V97-H148 WeakPolarHBondContact CG2-ND1 3.46Å
98	S	96.1	Very high	96.9	Very high	87 Å²	87	37.9 Å²	37.9	61%	0.608	19%	0.188	S	C	*	.	H	α-helix	trans	-60.6	-25.8	176.8	79.2	0	0	0	0	113.7	D94 E95 A96	D94-S98 WeakPolarHBondContact O-CB 3.31Å; D94-S98 PolarHBondContact O-N 2.81Å; E95-S98 PolarHBondContact O-N 3.29Å; E95-S98 PolarHBondContact O-OG 3.28Å; A96-S98 VanDerWaalsContact C-N 3.34Å; A96-S98 PolarHBondContact O-N 3.26Å
99	K	94.7	Very high	96.9	Very high	126 Å²	126	38.4 Å²	38.4	55%	0.548	19%	0.19	S	C	.	.	H	α-helix	trans	-91.1	-35.5	-175.9	-63.7	-67.8	178.3	-173.4	0	113.4	V77 E95 A96 V97	V77-K99 HydrophobicContact CG1-CD 4.5Å; V77-K99 HydrophobicContact CG1-CG 4.22Å; E95-K99 VanDerWaalsContact O-CG 3.31Å; E95-K99 WeakPolarHBondContact O-CG 3.41Å; E95-K99 PolarHBondContact O-N 3.13Å; A96-K99 PolarHBondContact O-N 3.45Å; V97-K99 PolarHBondContact O-N 3.23Å; V97-K99 VanDerWaalsContact O-N 3.16Å
100	F	93	Very high	96.6	Very high	29 Å²	29	39.3 Å²	39.3	13%	0.127	20%	0.198	C	C	.	.	H	α-helix	trans	-128.1	-6.4	-171.2	-63.5	-70.7	0	0	0	114.8	T24 D48 L50 K75 V77 A96 V97 R102	T24-F100 HydrophobicContact CG2-CB 3.86Å; T24-F100 HydrophobicContact CG2-CD2 3.79Å; T24-F100 HydrophobicContact CG2-CG 3.91Å; D48-F100 HydrophobicContact CB-CD1 3.87Å; D48-F100 HydrophobicContact CB-CE1 3.48Å; D48-F100 VanDerWaalsContact CB-CE1 3.48Å; D48-F100 HydrophobicContact CB-CZ 3.89Å; L50-F100 HydrophobicContact CD1-CD2 3.79Å; L50-F100 HydrophobicContact CD1-CE2 4.17Å; L50-F100 HydrophobicContact CD2-CD2 4.01Å; L50-F100 HydrophobicContact CD2-CE2 3.91Å; L50-F100 HydrophobicContact CG-CD2 3.83Å; L50-F100 HydrophobicContact CG-CE2 3.71Å; K75-F100 HydrophobicContact CB-CE1 3.81Å; K75-F100 HydrophobicContact CB-CZ 3.75Å; K75-F100 HydrophobicContact CD-CE1 3.89Å; K75-F100 HydrophobicContact CD-CZ 4.43Å; K75-F100 HydrophobicContact CG-CE1 4.41Å; V77-F100 HydrophobicContact CB-CE2 4.26Å; V77-F100 HydrophobicContact CG2-CE2 3.73Å; V77-F100 HydrophobicContact CG2-CZ 3.69Å; A96-F100 PolarHBondContact O-N 2.85Å; V97-F100 PolarHBondContact O-N 2.8Å; F100-R102 PolarHBondContact O-N 2.85Å
101	D	93.2	Very high	96.2	Very high	108 Å²	108	36.9 Å²	36.9	58%	0.578	20%	0.195	S	C	*	.	S	Bend	trans	59.6	2.8	-175.1	-168.4	51.9	0	0	0	115.5	V97 K151	V97-D101 WeakPolarHBondContact O-CA 3.43Å; V97-D101 PolarHBondContact O-N 3.24Å; D101-K151 IonicContact OD2-NZ 3.67Å
102	R	94.5	Very high	95.9	Very high	63 Å²	63	35.2 Å²	35.2	24%	0.238	19%	0.191	C	C	.	.			trans	-151.2	158.2	-176.6	69.4	-171	-66.1	148.2	1.2	112.1	S21 T24 F100 D104 T152	S21-R102 PolarHBondContact OG-NH1 3.48Å; T24-R102 WeakPolarHBondContact CG2-O 3.43Å; T24-R102 WeakPolarHBondContact OG1-CG 3.38Å; F100-R102 PolarHBondContact O-N 2.85Å; R102-D104 IonicContact CZ-OD1 2.73Å; R102-D104 IonicContact CZ-OD2 3.66Å; R102-D104 IonicContact NE-OD1 3.31Å; R102-D104 PolarHBondContact NE-OD1 2.73Å; R102-D104 IonicContact NE-OD2 2.79Å; R102-D104 PolarHBondContact NE-OD2 3.35Å; R102-D104 IonicContact NH2-OD1 4Å; R102-D104 PolarHBondContact NH2-OD1 3.47Å; R102-D104 IonicContact NH2-OD2 3.72Å; R102-T152 HydrophobicContact CB-CG2 4.17Å
103	I	97.4	Very high	95.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.			trans	-139.1	116.9	167.5	-58.4	176.8	0	0	0	106.1	L26 I93 A96 V97 V106 H148 T152	L26-I103 HydrophobicContact CB-CG2 4.49Å; I93-I103 HydrophobicContact CD1-CD1 3.92Å; I93-I103 HydrophobicContact CG2-CD1 4.25Å; A96-I103 HydrophobicContact CB-CD1 3.91Å; A96-I103 HydrophobicContact CB-CG1 4.4Å; V97-I103 HydrophobicContact CG2-CD1 4.09Å; V97-I103 HydrophobicContact CG2-CG1 4.37Å; I103-V106 HydrophobicContact CG2-CG2 3.71Å; I103-H148 HydrophobicContact CB-CB 4.15Å; I103-H148 HydrophobicContact CG1-CB 4.47Å; I103-T152 WeakPolarHBondContact O-CG2 2.97Å; I103-T152 PolarHBondContact O-OG1 3.31Å
104	D	98	Very high	94.9	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.043	20%	0.202	C	C	.	.			trans	-99.9	-31.6	-179.6	-59.8	-74.5	0	0	0	111.6	L23 T24 R102 T152 G154 C155	L23-D104 WeakPolarHBondContact CA-OD2 3.36Å; L23-D104 HydrophobicContact CB-CB 4.28Å; L23-D104 HydrophobicContact CD2-CB 4.11Å; T24-D104 PolarHBondContact N-OD2 2.86Å; T24-D104 WeakPolarHBondContact O-CB 3.3Å; T24-D104 PolarHBondContact O-N 3.06Å; R102-D104 IonicContact CZ-OD1 2.73Å; R102-D104 IonicContact CZ-OD2 3.66Å; R102-D104 IonicContact NE-OD1 3.31Å; R102-D104 PolarHBondContact NE-OD1 2.73Å; R102-D104 IonicContact NE-OD2 2.79Å; R102-D104 PolarHBondContact NE-OD2 3.35Å; R102-D104 IonicContact NH2-OD1 4Å; R102-D104 PolarHBondContact NH2-OD1 3.47Å; R102-D104 IonicContact NH2-OD2 3.72Å; D104-T152 WeakPolarHBondContact OD1-CB 3.38Å; D104-T152 WeakPolarHBondContact OD1-CG2 3.17Å; D104-G154 CarbonylContact O-C 3.49Å; D104-G154 WeakPolarHBondContact O-CA 3.33Å; D104-C155 PolarHBondContact O-N 2.95Å
105	V	98.6	Very high	93.9	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.024	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	132.2	-178.8	-174.9	0	0	0	0	109.9	T24 V25 L26 F42 Y47 V107 C155 A297	T24-V105 PolarHBondContact O-N 3.17Å; T24-V105 VanDerWaalsContact O-N 3.11Å; V25-V105 CarbonylContact C-O 3.42Å; V25-V105 WeakPolarHBondContact CA-O 3.36Å; V25-V105 HydrophobicContact CB-CB 3.96Å; V25-V105 HydrophobicContact CG2-CB 3.58Å; V25-V105 HydrophobicContact CG2-CG1 3.66Å; L26-V105 PolarHBondContact N-O 3.28Å; F42-V105 HydrophobicContact CE1-CG1 4.21Å; F42-V105 HydrophobicContact CE1-CG2 4.46Å; F42-V105 HydrophobicContact CZ-CG1 4.24Å; Y47-V105 HydrophobicContact CE1-CG2 4.22Å; V105-V107 HydrophobicContact CG1-CG2 3.93Å; V105-C155 WeakPolarHBondContact CA-O 3.3Å; V105-A297 HydrophobicContact CG1-CB 3.82Å; V105-A297 HydrophobicContact CG2-CB 4.19Å
106	V	98.8	Very high	92.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.3	166.1	177.2	0	0	0	0	108.9	I103 L141 A145 L149 C155 V156 V157	I103-V106 HydrophobicContact CG2-CG2 3.71Å; V106-L141 HydrophobicContact CG1-CD2 4.02Å; V106-A145 HydrophobicContact CG2-CB 3.85Å; V106-L149 HydrophobicContact CG2-CD1 4.26Å; V106-L149 HydrophobicContact CG2-CD2 4.22Å; V106-L149 HydrophobicContact CG2-CG 4.47Å; V106-C155 PolarHBondContact N-O 3.49Å; V106-V156 HydrophobicContact CB-CG2 4.35Å; V106-V156 CarbonylContact O-C 3.46Å; V106-V156 VanDerWaalsContact O-CA 3.31Å; V106-V156 WeakPolarHBondContact O-CA 3.41Å; V106-V157 PolarHBondContact O-N 3.27Å
107	V	98.8	Very high	92.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	103.2	175	-174.1	0	0	0	0	110	V25 L26 I27 V28 I38 F42 V105 N109 V157 V159 V293	V25-V107 HydrophobicContact CG2-CG2 3.99Å; L26-V107 PolarHBondContact O-N 3.36Å; I27-V107 HydrophobicContact CG1-CB 4.24Å; I27-V107 HydrophobicContact CG1-CG2 4.26Å; I27-V107 HydrophobicContact CG2-CB 4.36Å; V28-V107 WeakPolarHBondContact CG2-O 3.29Å; V28-V107 PolarHBondContact N-O 2.92Å; V28-V107 VanDerWaalsContact N-O 3.14Å; I38-V107 HydrophobicContact CD1-CG1 4.05Å; I38-V107 HydrophobicContact CG2-CG1 4.25Å; I38-V107 HydrophobicContact CG2-CG2 4.43Å; F42-V107 HydrophobicContact CE2-CG2 4.43Å; F42-V107 HydrophobicContact CZ-CG2 4.32Å; V105-V107 HydrophobicContact CG1-CG2 3.93Å; V107-N109 HydrophobicContact CG1-CB 4.22Å; V107-N109 PolarHBondContact O-N 3.37Å; V107-V157 CarbonylContact C-O 3.57Å; V107-V157 VanDerWaalsContact CA-O 3.32Å; V107-V157 WeakPolarHBondContact CA-O 3.45Å; V107-V159 HydrophobicContact CG1-CG2 4.26Å; V107-V293 HydrophobicContact CG1-CG1 3.95Å; V107-V293 HydrophobicContact CG2-CG1 4.05Å
108	N	98.7	Very high	91.7	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.027	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	85.2	174.2	-72.5	-40.8	0	0	0	109.9	A138 L141 S142 V157 N158 V159	N108-A138 HydrophobicContact CB-CB 3.91Å; N108-L141 WeakPolarHBondContact OD1-CD2 3.33Å; N108-S142 PolarHBondContact ND2-OG 3.21Å; N108-V157 PolarHBondContact N-O 3.06Å; N108-N158 VanDerWaalsContact CB-OD1 3.32Å; N108-N158 WeakPolarHBondContact CB-OD1 3.15Å; N108-N158 PolarHBondContact ND2-OD1 2.73Å; N108-V159 PolarHBondContact O-N 3.41Å
109	N	97.9	Very high	91.4	Very high	22 Å²	22	38 Å²	38	12%	0.118	22%	0.215	C	C	.	.			trans	-104.5	-18.9	177.3	160.4	89.7	0	0	0	113.7	V28 G29 I34 G35 I38 V107 G111 V159	V28-N109 CarbonylContact O-C 3.59Å; V28-N109 WeakPolarHBondContact O-CA 3.4Å; V28-N109 VanDerWaalsContact O-CB 3.27Å; V28-N109 WeakPolarHBondContact O-CB 3.23Å; V28-N109 PolarHBondContact O-N 3.15Å; V28-N109 PolarHBondContact O-ND2 3.17Å; V28-N109 VanDerWaalsContact O-ND2 3.15Å; G29-N109 PolarHBondContact O-ND2 3.21Å; I34-N109 WeakPolarHBondContact CG2-OD1 3.25Å; G35-N109 VanDerWaalsContact CA-ND2 3.27Å; G35-N109 WeakPolarHBondContact CA-ND2 3.43Å; G35-N109 PolarHBondContact N-OD1 2.88Å; I38-N109 HydrophobicContact CD1-CB 4.35Å; V107-N109 HydrophobicContact CG1-CB 4.22Å; V107-N109 PolarHBondContact O-N 3.37Å; N109-G111 PolarHBondContact O-N 3.44Å; N109-V159 HydrophobicContact CB-CB 4.15Å; N109-V159 HydrophobicContact CB-CG2 3.71Å
110	A	91.4	Very high	91.3	Very high	22 Å²	22	36.8 Å²	36.8	18%	0.182	22%	0.223	C	C	.	.			trans	-54.7	129.3	178.2	0	0	0	0	0	110.7	V28 L83	V28-A110 HydrophobicContact CB-CB 4.25Å; V28-A110 HydrophobicContact CG2-CB 3.93Å; V28-A110 PolarHBondContact O-N 3.27Å; L83-A110 HydrophobicContact CD1-CB 4.4Å
111	G	90.4	Very high	91.3	Very high	31 Å²	31	40.1 Å²	40.1	32%	0.32	24%	0.242	S	C	.	.			trans	-176.2	162.5	179.9	0	0	0	0	0	111.2	N109 N133 N134	N109-G111 PolarHBondContact O-N 3.44Å; G111-N133 VanDerWaalsContact C-OD1 3.26Å; G111-N133 VanDerWaalsContact CA-OD1 3.25Å; G111-N133 WeakPolarHBondContact CA-OD1 3.48Å; G111-N134 VanDerWaalsContact CA-OD1 3.26Å; G111-N134 WeakPolarHBondContact CA-OD1 3.44Å
112	M	91.7	Very high	91.2	Very high	55 Å²	55	37.2 Å²	37.2	27%	0.271	23%	0.227	S	C	.	.			trans	-137.8	159.8	176.5	70.8	-173.5	-59.3	0	0	111.4	I114 T129 L130 N133 N134 Y174	M112-I114 HydrophobicContact CE-CG1 4.43Å; M112-T129 HydrophobicContact CE-CG2 4.38Å; M112-T129 HydrophobicContact SD-CG2 3.94Å; M112-L130 HydrophobicContact CG-CD2 4.21Å; M112-L130 WeakPolarHBondContact O-CD2 3.31Å; M112-N133 HydrophobicContact CG-CB 3.87Å; M112-N133 PolarHBondContact N-OD1 2.76Å; M112-N133 HydrophobicContact SD-CB 3.71Å; M112-N134 PolarHBondContact N-OD1 2.92Å; M112-N134 PolarHBondContact O-ND2 2.85Å; M112-N134 PolarHBondContact O-OD1 3.35Å; M112-Y174 WeakPolarHBondContact O-CE2 3.26Å
113	L	88.8	Confident	91.2	Very high	11 Å²	11	40.3 Å²	40.3	6%	0.058	24%	0.241	C	C	.	.			trans	-110.9	144.5	169	-176.5	68.6	0	0	0	106.4	Y174 I211 T215 D217	L113-Y174 HydrophobicContact CB-CD2 4.49Å; L113-Y174 HydrophobicContact CB-CE2 4.36Å; L113-Y174 HydrophobicContact CD1-CD1 3.88Å; L113-Y174 HydrophobicContact CD1-CD2 3.39Å; L113-Y174 HydrophobicContact CD1-CE1 4.15Å; L113-Y174 HydrophobicContact CD1-CE2 3.7Å; L113-Y174 HydrophobicContact CD1-CG 3.48Å; L113-Y174 VanDerWaalsContact CD1-CG 3.48Å; L113-I211 HydrophobicContact CB-CD1 4.08Å; L113-I211 HydrophobicContact CB-CG1 3.9Å; L113-T215 HydrophobicContact CB-CG2 3.81Å; L113-T215 HydrophobicContact CD2-CG2 4.36Å; L113-T215 HydrophobicContact CG-CG2 4.18Å; L113-T215 WeakPolarHBondContact O-CG2 3.36Å; L113-D217 WeakPolarHBondContact CD2-OD2 3.39Å
114	I	85.7	Confident	91.1	Very high	30 Å²	30	44.6 Å²	44.6	15%	0.154	27%	0.268	C	S	.	.			trans	-109.3	138.6	161.4	-63.7	-178.8	0	0	0	105.2	M112 G116 D126 T129 L130 R171	M112-I114 HydrophobicContact CE-CG1 4.43Å; I114-G116 PolarHBondContact O-N 3.11Å; I114-D126 HydrophobicContact CD1-CB 3.78Å; I114-D126 HydrophobicContact CG2-CB 4.37Å; I114-T129 HydrophobicContact CD1-CG2 4.13Å; I114-L130 HydrophobicContact CB-CD1 4.24Å; I114-L130 HydrophobicContact CB-CG 4.45Å; I114-L130 HydrophobicContact CD1-CD1 4.18Å; I114-L130 HydrophobicContact CD1-CD2 4.41Å; I114-L130 HydrophobicContact CD1-CG 3.8Å; I114-L130 HydrophobicContact CG1-CD1 4.28Å; I114-L130 HydrophobicContact CG1-CD2 4.06Å; I114-L130 HydrophobicContact CG1-CG 3.96Å; I114-R171 PolarHBondContact O-NH1 2.86Å
115	P	77.8	Confident	91	Very high	50 Å²	50	50.1 Å²	50.1	33%	0.325	29%	0.293	S	S	.	.			trans	-45.1	140.7	175.1	-31.7	37.9	0	0	0	111.9	T215	P115-T215 WeakPolarHBondContact CG-O 3.39Å
116	G	74.8	Confident	90.8	Very high	22 Å²	22	51.9 Å²	51.9	23%	0.227	30%	0.303	C	S	.	.			trans	-66.1	145.3	-179.6	0	0	0	0	0	112.3	I114 N170	I114-G116 PolarHBondContact O-N 3.11Å; G116-N170 CarbonylContact C-O 3.6Å; G116-N170 WeakPolarHBondContact CA-O 3.48Å
117	S	79	Confident	90.6	Very high	33 Å²	33	54.8 Å²	54.8	23%	0.231	32%	0.315	C	S	.	.			trans	-126.9	151	176.9	-53.8	0	0	0	0	110.3	N170	S117-N170 PolarHBondContact N-O 2.79Å; S117-N170 WeakPolarHBondContact O-CA 3.3Å
118	A	86.1	Confident	90.6	Very high	40 Å²	40	59.1 Å²	59.1	33%	0.331	34%	0.338	S	S	.	.			trans	-61.7	158.4	166.9	0	0	0	0	0	109.8	S120 D121 L122	A118-S120 PolarHBondContact O-N 2.89Å; A118-D121 PolarHBondContact O-N 2.68Å; A118-L122 PolarHBondContact O-N 3.35Å
119	L	89.8	Confident	90.4	Very high	138 Å²	138	62 Å²	62	72%	0.723	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-55.6	-35.6	-179.9	-74.6	173.9	0	0	0	112.8	D121 L122 V172	L119-D121 PolarHBondContact O-N 2.97Å; L119-L122 HydrophobicContact CD2-CD1 3.84Å; L119-V172 HydrophobicContact CD2-CG2 3.81Å
120	S	92.9	Very high	90.4	Very high	102 Å²	102	61.1 Å²	61.1	71%	0.713	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-66.9	-21.6	177.8	54.5	0	0	0	0	114.1	A118	A118-S120 PolarHBondContact O-N 2.89Å
121	D	93	Very high	90.7	Very high	98 Å²	98	62.3 Å²	62.3	52%	0.524	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-109.6	3.1	-170.8	-53.2	-28.2	0	0	0	112.2	A118 L119 K123	A118-D121 PolarHBondContact O-N 2.68Å; L119-D121 PolarHBondContact O-N 2.97Å; D121-K123 PolarHBondContact O-N 3.13Å
122	L	91.8	Very high	91	Very high	48 Å²	48	65.1 Å²	65.1	25%	0.251	36%	0.357	S	S	.	.			trans	-65.1	131.8	178	-71.9	178.6	0	0	0	110.9	A118 L119 V172 F173	A118-L122 PolarHBondContact O-N 3.35Å; L119-L122 HydrophobicContact CD2-CD1 3.84Å; L122-V172 HydrophobicContact CD1-CB 3.98Å; L122-V172 HydrophobicContact CD1-CG1 4.12Å; L122-V172 HydrophobicContact CD1-CG2 4.1Å; L122-V172 HydrophobicContact CD2-CB 4.46Å; L122-F173 HydrophobicContact CB-CE2 3.78Å; L122-F173 HydrophobicContact CB-CZ 3.8Å; L122-F173 HydrophobicContact CD1-CE1 4.24Å; L122-F173 HydrophobicContact CD1-CE2 4.33Å; L122-F173 HydrophobicContact CD1-CZ 3.93Å; L122-F173 HydrophobicContact CD2-CD2 4Å; L122-F173 HydrophobicContact CD2-CE2 3.74Å; L122-F173 HydrophobicContact CD2-CZ 4.19Å; L122-F173 HydrophobicContact CG-CE2 4.16Å; L122-F173 HydrophobicContact CG-CZ 4.2Å
123	K	94.3	Very high	91.3	Very high	127 Å²	127	63.2 Å²	63.2	55%	0.552	35%	0.348	S	S	*	.			trans	-108.6	130.4	176.3	-62.9	178.5	-175.7	175.9	0	110.3	D121 E125 D126 F127 F173	D121-K123 PolarHBondContact O-N 3.13Å; K123-E125 PolarHBondContact O-N 2.91Å; K123-D126 HydrophobicContact CB-CB 4.48Å; K123-D126 WeakPolarHBondContact O-CB 3.47Å; K123-D126 PolarHBondContact O-N 3.37Å; K123-F127 PolarHBondContact O-N 3.14Å; K123-F173 WeakPolarHBondContact O-CE2 3.4Å
124	V	94.7	Very high	91.7	Very high	91 Å²	91	62.9 Å²	62.9	55%	0.552	35%	0.346	S	S	*	.	H	α-helix	trans	-61.3	-28	178.6	177.6	0	0	0	0	110.9	D126 F127 N128	V124-D126 VanDerWaalsContact C-N 3.31Å; V124-D126 PolarHBondContact O-N 2.95Å; V124-F127 WeakPolarHBondContact O-CB 3.47Å; V124-F127 PolarHBondContact O-N 3.06Å; V124-N128 PolarHBondContact O-N 3.14Å; V124-N128 PolarHBondContact O-ND2 2.86Å
125	E	96	Very high	92.3	Very high	124 Å²	124	62.3 Å²	62.3	58%	0.579	34%	0.344	S	S	*	.	H	α-helix	trans	-61.2	-38	173.6	-62.8	70.3	-151.8	0	0	112.3	K123 N128 T129	K123-E125 PolarHBondContact O-N 2.91Å; E125-N128 PolarHBondContact O-N 2.8Å; E125-T129 WeakPolarHBondContact O-CB 3.42Å; E125-T129 PolarHBondContact O-N 3.31Å; E125-T129 PolarHBondContact O-OG1 2.85Å
126	D	94.2	Very high	93.3	Very high	41 Å²	41	64 Å²	64	22%	0.219	35%	0.348	C	S	.	.	H	α-helix	trans	-69.5	-38.2	176.3	-68.5	-28.3	0	0	0	110.8	I114 K123 V124 T129 L130 F173	I114-D126 HydrophobicContact CD1-CB 3.78Å; I114-D126 HydrophobicContact CG2-CB 4.37Å; K123-D126 HydrophobicContact CB-CB 4.48Å; K123-D126 WeakPolarHBondContact O-CB 3.47Å; K123-D126 PolarHBondContact O-N 3.37Å; V124-D126 VanDerWaalsContact C-N 3.31Å; V124-D126 PolarHBondContact O-N 2.95Å; D126-T129 PolarHBondContact O-N 3.33Å; D126-L130 WeakPolarHBondContact O-CB 3.3Å; D126-L130 WeakPolarHBondContact O-CG 3.3Å; D126-L130 PolarHBondContact O-N 3.17Å; D126-F173 HydrophobicContact CB-CD2 4.29Å
127	F	95.8	Very high	94.4	Very high	60 Å²	60	63.1 Å²	63.1	26%	0.263	34%	0.338	S	S	.	.	H	α-helix	trans	-59	-51.6	171.7	170.5	-100.6	0	0	0	111.3	K123 V124 T129 L130 M131 F173 M176	K123-F127 PolarHBondContact O-N 3.14Å; V124-F127 WeakPolarHBondContact O-CB 3.47Å; V124-F127 PolarHBondContact O-N 3.06Å; F127-T129 VanDerWaalsContact C-N 3.3Å; F127-T129 PolarHBondContact O-N 3.45Å; F127-L130 PolarHBondContact O-N 2.86Å; F127-M131 HydrophobicContact CD1-CG 4.41Å; F127-M131 HydrophobicContact CD2-CG 3.88Å; F127-M131 HydrophobicContact CE1-CG 4.05Å; F127-M131 HydrophobicContact CE2-CG 3.46Å; F127-M131 VanDerWaalsContact CE2-CG 3.46Å; F127-M131 HydrophobicContact CE2-SD 3.97Å; F127-M131 HydrophobicContact CG-CG 4.35Å; F127-M131 HydrophobicContact CZ-CG 3.57Å; F127-M131 HydrophobicContact CZ-SD 4.33Å; F127-M131 WeakPolarHBondContact O-CB 3.37Å; F127-M131 WeakPolarHBondContact O-CG 3.47Å; F127-M131 PolarHBondContact O-N 3.02Å; F127-F173 HydrophobicContact CB-CB 4.42Å; F127-F173 HydrophobicContact CB-CD1 3.81Å; F127-F173 HydrophobicContact CB-CD2 3.73Å; F127-F173 HydrophobicContact CB-CE1 3.9Å; F127-F173 HydrophobicContact CB-CE2 3.82Å; F127-F173 HydrophobicContact CB-CG 3.73Å; F127-F173 HydrophobicContact CB-CZ 3.89Å; F127-F173 HydrophobicContact CD2-CB 4.32Å; F127-F173 AromaticContact CD2-CD1 3.62Å; F127-F173 HydrophobicContact CD2-CD1 3.62Å; F127-F173 HydrophobicContact CD2-CE1 4.12Å; F127-F173 HydrophobicContact CD2-CG 4.05Å; F127-F173 HydrophobicContact CG-CD1 4.13Å; F127-F173 HydrophobicContact CG-CE1 4.31Å; F127-F173 HydrophobicContact CG-CG 4.39Å; F127-M176 HydrophobicContact CD2-CE 4.48Å; F127-M176 HydrophobicContact CE2-CE 3.8Å; F127-M176 HydrophobicContact CE2-SD 4.48Å
128	N	97	Very high	95.3	Very high	91 Å²	91	61.8 Å²	61.8	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-59.1	-43	179.3	-70.9	-27.6	0	0	0	111.3	V124 E125 K132	V124-N128 PolarHBondContact O-N 3.14Å; V124-N128 PolarHBondContact O-ND2 2.86Å; E125-N128 PolarHBondContact O-N 2.8Å; N128-K132 WeakPolarHBondContact O-CB 3.37Å; N128-K132 PolarHBondContact O-N 2.86Å
129	T	96.4	Very high	95.9	Very high	65 Å²	65	61.8 Å²	61.8	40%	0.399	33%	0.325	S	S	.	.	H	α-helix	trans	-63.1	-47.6	178	-59.3	0	0	0	0	111.6	M112 I114 E125 D126 F127 K132 N133	M112-T129 HydrophobicContact CE-CG2 4.38Å; M112-T129 HydrophobicContact SD-CG2 3.94Å; I114-T129 HydrophobicContact CD1-CG2 4.13Å; E125-T129 WeakPolarHBondContact O-CB 3.42Å; E125-T129 PolarHBondContact O-N 3.31Å; E125-T129 PolarHBondContact O-OG1 2.85Å; D126-T129 PolarHBondContact O-N 3.33Å; F127-T129 VanDerWaalsContact C-N 3.3Å; F127-T129 PolarHBondContact O-N 3.45Å; T129-K132 PolarHBondContact O-N 3Å; T129-N133 WeakPolarHBondContact O-CB 3.26Å; T129-N133 PolarHBondContact O-N 2.93Å
130	L	95.9	Very high	96.3	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-44.5	178.6	-79.4	166.4	0	0	0	112.2	M112 I114 D126 F127 N133 N134 F173 Y174	M112-L130 HydrophobicContact CG-CD2 4.21Å; M112-L130 WeakPolarHBondContact O-CD2 3.31Å; I114-L130 HydrophobicContact CB-CD1 4.24Å; I114-L130 HydrophobicContact CB-CG 4.45Å; I114-L130 HydrophobicContact CD1-CD1 4.18Å; I114-L130 HydrophobicContact CD1-CD2 4.41Å; I114-L130 HydrophobicContact CD1-CG 3.8Å; I114-L130 HydrophobicContact CG1-CD1 4.28Å; I114-L130 HydrophobicContact CG1-CD2 4.06Å; I114-L130 HydrophobicContact CG1-CG 3.96Å; D126-L130 WeakPolarHBondContact O-CB 3.3Å; D126-L130 WeakPolarHBondContact O-CG 3.3Å; D126-L130 PolarHBondContact O-N 3.17Å; F127-L130 PolarHBondContact O-N 2.86Å; L130-N133 PolarHBondContact O-N 3.11Å; L130-N134 WeakPolarHBondContact O-CB 3.2Å; L130-N134 PolarHBondContact O-N 2.83Å; L130-F173 HydrophobicContact CD1-CB 3.56Å; L130-Y174 HydrophobicContact CD2-CD2 4.23Å
131	M	97.9	Very high	96.6	Very high	47 Å²	47	53.4 Å²	53.4	23%	0.232	27%	0.271	C	S	.	.	H	α-helix	trans	-66.1	-42.3	178.3	-69.2	-60.8	-64	0	0	111.5	F127 V135 Q136 A180	F127-M131 HydrophobicContact CD1-CG 4.41Å; F127-M131 HydrophobicContact CD2-CG 3.88Å; F127-M131 HydrophobicContact CE1-CG 4.05Å; F127-M131 HydrophobicContact CE2-CG 3.46Å; F127-M131 VanDerWaalsContact CE2-CG 3.46Å; F127-M131 HydrophobicContact CE2-SD 3.97Å; F127-M131 HydrophobicContact CG-CG 4.35Å; F127-M131 HydrophobicContact CZ-CG 3.57Å; F127-M131 HydrophobicContact CZ-SD 4.33Å; F127-M131 WeakPolarHBondContact O-CB 3.37Å; F127-M131 WeakPolarHBondContact O-CG 3.47Å; F127-M131 PolarHBondContact O-N 3.02Å; M131-V135 HydrophobicContact CE-CB 4.13Å; M131-V135 HydrophobicContact CE-CG1 4.31Å; M131-V135 HydrophobicContact CE-CG2 3.8Å; M131-V135 WeakPolarHBondContact O-CA 3.48Å; M131-V135 VanDerWaalsContact O-CB 3.3Å; M131-V135 WeakPolarHBondContact O-CB 3.43Å; M131-V135 PolarHBondContact O-N 2.82Å; M131-V135 HydrophobicContact SD-CG2 3.93Å; M131-Q136 PolarHBondContact O-N 3.24Å; M131-A180 HydrophobicContact CE-CB 4.21Å
132	K	97.6	Very high	96.8	Very high	90 Å²	90	48.7 Å²	48.7	39%	0.391	25%	0.246	S	C	.	.	I	π-helix	trans	-61.4	-46.9	176.9	-171.8	175.3	-172.7	-166.5	0	111.6	T84 N128 T129 S137	T84-K132 HydrophobicContact CG2-CG 4.33Å; T84-K132 WeakPolarHBondContact O-CE 3.49Å; T84-K132 PolarHBondContact O-NZ 2.99Å; N128-K132 WeakPolarHBondContact O-CB 3.37Å; N128-K132 PolarHBondContact O-N 2.86Å; T129-K132 PolarHBondContact O-N 3Å; K132-S137 PolarHBondContact O-N 3.15Å; K132-S137 VanDerWaalsContact O-N 3.17Å
133	N	97.1	Very high	97.1	Very high	15 Å²	15	51.5 Å²	51.5	8%	0.08	26%	0.26	C	S	.	.	I	π-helix	trans	-74.2	-51.2	-178.3	-166.5	-92.1	0	0	0	112.6	T84 G111 M112 T129 L130 S137	T84-N133 HydrophobicContact CG2-CB 4.27Å; G111-N133 VanDerWaalsContact C-OD1 3.26Å; G111-N133 VanDerWaalsContact CA-OD1 3.25Å; G111-N133 WeakPolarHBondContact CA-OD1 3.48Å; M112-N133 HydrophobicContact CG-CB 3.87Å; M112-N133 PolarHBondContact N-OD1 2.76Å; M112-N133 HydrophobicContact SD-CB 3.71Å; T129-N133 WeakPolarHBondContact O-CB 3.26Å; T129-N133 PolarHBondContact O-N 2.93Å; L130-N133 PolarHBondContact O-N 3.11Å; N133-S137 WeakPolarHBondContact O-CB 3.35Å; N133-S137 PolarHBondContact O-OG 2.93Å
134	N	97.6	Very high	97.3	Very high	3 Å²	3	47 Å²	47	2%	0.016	24%	0.244	C	C	.	.	I	π-helix	trans	-84.6	-24.2	-169.4	-64	-4.5	0	0	0	113.6	G111 M112 L130 S177 M181	G111-N134 VanDerWaalsContact CA-OD1 3.26Å; G111-N134 WeakPolarHBondContact CA-OD1 3.44Å; M112-N134 PolarHBondContact N-OD1 2.92Å; M112-N134 PolarHBondContact O-ND2 2.85Å; M112-N134 PolarHBondContact O-OD1 3.35Å; L130-N134 WeakPolarHBondContact O-CB 3.2Å; L130-N134 PolarHBondContact O-N 2.83Å; N134-S177 PolarHBondContact ND2-OG 2.97Å; N134-M181 WeakPolarHBondContact O-CG 3.11Å
135	V	98.5	Very high	97.5	Very high	18 Å²	18	42.6 Å²	42.6	11%	0.109	22%	0.218	C	C	.	.	I	π-helix	trans	-117.9	-63	-172.4	-171.5	0	0	0	0	111.1	M131 S137 A138 V139 S177 A180 M181	M131-V135 HydrophobicContact CE-CB 4.13Å; M131-V135 HydrophobicContact CE-CG1 4.31Å; M131-V135 HydrophobicContact CE-CG2 3.8Å; M131-V135 WeakPolarHBondContact O-CA 3.48Å; M131-V135 VanDerWaalsContact O-CB 3.3Å; M131-V135 WeakPolarHBondContact O-CB 3.43Å; M131-V135 PolarHBondContact O-N 2.82Å; M131-V135 HydrophobicContact SD-CG2 3.93Å; V135-S137 VanDerWaalsContact C-N 3.31Å; V135-S137 PolarHBondContact O-N 2.84Å; V135-A138 PolarHBondContact O-N 2.81Å; V135-A138 VanDerWaalsContact O-N 3.13Å; V135-V139 HydrophobicContact CG1-CG2 4.24Å; V135-V139 WeakPolarHBondContact O-CG2 3.03Å; V135-V139 PolarHBondContact O-N 3.05Å; V135-S177 VanDerWaalsContact CG2-O 3.3Å; V135-S177 WeakPolarHBondContact CG2-O 3.32Å; V135-A180 HydrophobicContact CG1-CB 4.12Å; V135-A180 HydrophobicContact CG2-CB 3.9Å; V135-M181 HydrophobicContact CG1-SD 4.41Å; V135-M181 HydrophobicContact CG2-CG 4.36Å
136	Q	98.3	Very high	97.6	Very high	87 Å²	87	39.3 Å²	39.3	41%	0.407	20%	0.204	S	C	.	.	I	π-helix	trans	-57.1	-44.9	-174.2	-177.5	-179.9	-14	0	0	111.6	M131 A138 V139 E140	M131-Q136 PolarHBondContact O-N 3.24Å; Q136-A138 VanDerWaalsContact C-N 3.33Å; Q136-A138 PolarHBondContact O-N 2.61Å; Q136-V139 PolarHBondContact O-N 3.05Å; Q136-E140 HydrophobicContact CG-CG 4.22Å; Q136-E140 VanDerWaalsContact CG-OE1 3.29Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.4Å; Q136-E140 PolarHBondContact NE2-OE1 2.99Å; Q136-E140 WeakPolarHBondContact O-CB 3.19Å; Q136-E140 WeakPolarHBondContact O-CG 3.41Å; Q136-E140 PolarHBondContact O-N 2.88Å
137	S	97.9	Very high	97.8	Very high	3 Å²	3	45 Å²	45	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-40.7	179.6	80.3	0	0	0	0	113.4	K132 N133 V135 L141	K132-S137 PolarHBondContact O-N 3.15Å; K132-S137 VanDerWaalsContact O-N 3.17Å; N133-S137 WeakPolarHBondContact O-CB 3.35Å; N133-S137 PolarHBondContact O-OG 2.93Å; V135-S137 VanDerWaalsContact C-N 3.31Å; V135-S137 PolarHBondContact O-N 2.84Å; S137-L141 VanDerWaalsContact O-CB 3.3Å; S137-L141 WeakPolarHBondContact O-CB 3.48Å; S137-L141 PolarHBondContact O-N 3.44Å
138	A	98.3	Very high	97.9	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.033	22%	0.221	C	C	.	.	H	α-helix	trans	-71.4	-41.4	178.4	0	0	0	0	0	111.6	N108 V135 Q136 S142 M181	N108-A138 HydrophobicContact CB-CB 3.91Å; V135-A138 PolarHBondContact O-N 2.81Å; V135-A138 VanDerWaalsContact O-N 3.13Å; Q136-A138 VanDerWaalsContact C-N 3.33Å; Q136-A138 PolarHBondContact O-N 2.61Å; A138-S142 VanDerWaalsContact O-CB 3.24Å; A138-S142 WeakPolarHBondContact O-CB 3.44Å; A138-S142 PolarHBondContact O-N 3.2Å; A138-S142 PolarHBondContact O-OG 3.25Å; A138-M181 HydrophobicContact CB-CE 3.63Å; A138-M181 HydrophobicContact CB-SD 3.89Å
139	V	98.4	Very high	97.9	Very high	40 Å²	40	39.3 Å²	39.3	24%	0.242	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-52.9	175.5	173.1	0	0	0	0	110.3	V135 Q136 L141 S142 L143 F184	V135-V139 HydrophobicContact CG1-CG2 4.24Å; V135-V139 WeakPolarHBondContact O-CG2 3.03Å; V135-V139 PolarHBondContact O-N 3.05Å; Q136-V139 PolarHBondContact O-N 3.05Å; V139-L141 PolarHBondContact O-N 2.76Å; V139-S142 PolarHBondContact O-N 2.99Å; V139-L143 HydrophobicContact CG1-CD1 3.97Å; V139-L143 HydrophobicContact CG1-CG 4.45Å; V139-L143 VanDerWaalsContact O-CG 3.29Å; V139-L143 WeakPolarHBondContact O-CG 3.09Å; V139-L143 PolarHBondContact O-N 3.42Å; V139-F184 HydrophobicContact CB-CE2 4.37Å; V139-F184 HydrophobicContact CB-CZ 4.3Å; V139-F184 HydrophobicContact CG1-CE2 4.25Å; V139-F184 HydrophobicContact CG2-CD1 4.11Å; V139-F184 HydrophobicContact CG2-CD2 3.85Å; V139-F184 HydrophobicContact CG2-CE1 4.1Å; V139-F184 HydrophobicContact CG2-CE2 3.84Å; V139-F184 HydrophobicContact CG2-CG 3.99Å; V139-F184 HydrophobicContact CG2-CZ 3.97Å
140	E	98.5	Very high	98	Very high	64 Å²	64	39.4 Å²	39.4	30%	0.299	20%	0.195	S	C	.	.	H	α-helix	trans	-59.9	-46.8	-179.3	-74.5	-179.4	-171.1	0	0	112	C89 Q136 S142 L143 C144	C89-E140 HydrophobicContact CB-CB 4.24Å; Q136-E140 HydrophobicContact CG-CG 4.22Å; Q136-E140 VanDerWaalsContact CG-OE1 3.29Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.4Å; Q136-E140 PolarHBondContact NE2-OE1 2.99Å; Q136-E140 WeakPolarHBondContact O-CB 3.19Å; Q136-E140 WeakPolarHBondContact O-CG 3.41Å; Q136-E140 PolarHBondContact O-N 2.88Å; E140-S142 PolarHBondContact O-N 3.42Å; E140-L143 PolarHBondContact O-N 3.48Å; E140-C144 PolarHBondContact O-N 3.01Å; E140-C144 PolarHBondContact O-SG 3.22Å; E140-C144 VanDerWaalsContact O-SG 3.39Å
141	L	98.7	Very high	98	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-46	177.9	-173.4	77.8	0	0	0	111.9	L26 V28 L83 C89 V92 I93 V106 N108 S137 V139 L143 C144 A145	L26-L141 HydrophobicContact CD2-CD1 4.24Å; L26-L141 HydrophobicContact CD2-CD2 4.31Å; V28-L141 HydrophobicContact CB-CD2 4.26Å; V28-L141 HydrophobicContact CG1-CD2 3.38Å; V28-L141 HydrophobicContact CG2-CD2 3.86Å; L83-L141 HydrophobicContact CD1-CD2 4.38Å; C89-L141 HydrophobicContact CB-CB 4.47Å; C89-L141 HydrophobicContact CB-CD1 4.31Å; V92-L141 HydrophobicContact CB-CD1 4.42Å; V92-L141 HydrophobicContact CG1-CD1 4.15Å; I93-L141 HydrophobicContact CD1-CD1 3.93Å; I93-L141 HydrophobicContact CD1-CG 4.44Å; I93-L141 HydrophobicContact CG1-CD1 4.17Å; V106-L141 HydrophobicContact CG1-CD2 4.02Å; N108-L141 WeakPolarHBondContact OD1-CD2 3.33Å; S137-L141 VanDerWaalsContact O-CB 3.3Å; S137-L141 WeakPolarHBondContact O-CB 3.48Å; S137-L141 PolarHBondContact O-N 3.44Å; V139-L141 PolarHBondContact O-N 2.76Å; L141-L143 VanDerWaalsContact C-N 3.3Å; L141-L143 PolarHBondContact O-N 2.98Å; L141-C144 PolarHBondContact O-N 3.21Å; L141-A145 WeakPolarHBondContact O-CB 3.43Å; L141-A145 PolarHBondContact O-N 3.23Å
142	S	98.5	Very high	98	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-38.1	177.8	-78.9	0	0	0	0	112.4	N108 A138 V139 E140 A145 L146	N108-S142 PolarHBondContact ND2-OG 3.21Å; A138-S142 VanDerWaalsContact O-CB 3.24Å; A138-S142 WeakPolarHBondContact O-CB 3.44Å; A138-S142 PolarHBondContact O-N 3.2Å; A138-S142 PolarHBondContact O-OG 3.25Å; V139-S142 PolarHBondContact O-N 2.99Å; E140-S142 PolarHBondContact O-N 3.42Å; S142-A145 PolarHBondContact O-N 3.01Å; S142-L146 PolarHBondContact O-N 2.58Å
143	L	98.3	Very high	98	Very high	106 Å²	106	47.6 Å²	47.6	56%	0.555	23%	0.232	S	C	*	.	H	α-helix	trans	-69.1	-42.7	175.1	-68	176.6	0	0	0	112	V139 E140 L141 A145 L146	V139-L143 HydrophobicContact CG1-CD1 3.97Å; V139-L143 HydrophobicContact CG1-CG 4.45Å; V139-L143 VanDerWaalsContact O-CG 3.29Å; V139-L143 WeakPolarHBondContact O-CG 3.09Å; V139-L143 PolarHBondContact O-N 3.42Å; E140-L143 PolarHBondContact O-N 3.48Å; L141-L143 VanDerWaalsContact C-N 3.3Å; L141-L143 PolarHBondContact O-N 2.98Å; L143-A145 VanDerWaalsContact C-N 3.27Å; L143-A145 PolarHBondContact O-N 3.01Å; L143-L146 WeakPolarHBondContact O-CB 3.28Å; L143-L146 PolarHBondContact O-N 3.21Å
144	C	98.4	Very high	98	Very high	32 Å²	32	47.4 Å²	47.4	22%	0.216	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-37.1	173.8	-71.4	0	0	0	0	111.8	Q90 I93 E140 L141 L146	Q90-C144 PolarHBondContact OE1-SG 2.82Å; I93-C144 HydrophobicContact CB-CB 4.32Å; I93-C144 HydrophobicContact CG1-CB 3.62Å; E140-C144 PolarHBondContact O-N 3.01Å; E140-C144 PolarHBondContact O-SG 3.22Å; E140-C144 VanDerWaalsContact O-SG 3.39Å; L141-C144 PolarHBondContact O-N 3.21Å; C144-L146 VanDerWaalsContact C-N 3.31Å; C144-L146 PolarHBondContact O-N 3.04Å
145	A	98.4	Very high	98	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-77.2	-12.1	179	0	0	0	0	0	114.2	I93 V106 L141 S142 L143 K147 H148 L149	I93-A145 HydrophobicContact CD1-CB 3.75Å; I93-A145 HydrophobicContact CG1-CB 4.42Å; V106-A145 HydrophobicContact CG2-CB 3.85Å; L141-A145 WeakPolarHBondContact O-CB 3.43Å; L141-A145 PolarHBondContact O-N 3.23Å; S142-A145 PolarHBondContact O-N 3.01Å; L143-A145 VanDerWaalsContact C-N 3.27Å; L143-A145 PolarHBondContact O-N 3.01Å; A145-K147 PolarHBondContact O-N 3.01Å; A145-H148 WeakPolarHBondContact O-CB 3.48Å; A145-H148 PolarHBondContact O-N 3.4Å; A145-L149 HydrophobicContact CB-CD1 4Å; A145-L149 HydrophobicContact CB-CG 4.36Å; A145-L149 PolarHBondContact O-N 2.84Å
146	L	98	Very high	98	Very high	54 Å²	54	46.5 Å²	46.5	28%	0.283	23%	0.228	S	C	.	.	H	α-helix	trans	-55.8	-46	-165.7	179.3	60.3	0	0	0	113.2	S142 L143 C144 H148 L149 L150 L192	S142-L146 PolarHBondContact O-N 2.58Å; L143-L146 WeakPolarHBondContact O-CB 3.28Å; L143-L146 PolarHBondContact O-N 3.21Å; C144-L146 VanDerWaalsContact C-N 3.31Å; C144-L146 PolarHBondContact O-N 3.04Å; L146-H148 PolarHBondContact O-N 2.9Å; L146-L149 PolarHBondContact O-N 3.07Å; L146-L150 HydrophobicContact CD1-CD1 3.98Å; L146-L150 HydrophobicContact CD1-CG 3.99Å; L146-L150 HydrophobicContact CG-CD1 3.89Å; L146-L150 HydrophobicContact CG-CG 4.35Å; L146-L150 WeakPolarHBondContact O-CB 3.38Å; L146-L150 VanDerWaalsContact O-CG 3.27Å; L146-L150 WeakPolarHBondContact O-CG 3.39Å; L146-L150 PolarHBondContact O-N 2.99Å; L146-L192 HydrophobicContact CD1-CD1 4.1Å; L146-L192 HydrophobicContact CD1-CD2 3.6Å
147	K	97.6	Very high	98	Very high	162 Å²	162	42.4 Å²	42.4	70%	0.704	21%	0.209	S	C	*	.	H	α-helix	trans	-57.4	-38	178.3	179	-179.4	174.2	-175.4	0	112.1	A145 K151	A145-K147 PolarHBondContact O-N 3.01Å; K147-K151 PolarHBondContact O-N 3.01Å
148	H	97.5	Very high	98.1	Very high	31 Å²	31	42.2 Å²	42.2	14%	0.144	21%	0.208	C	C	.	.	H	α-helix	trans	-76.8	-42.3	-178.2	-58.8	-75.9	0	0	0	111.2	V97 I103 A145 L146 L150 K151 T152	V97-H148 WeakPolarHBondContact CG2-CE1 3.47Å; V97-H148 WeakPolarHBondContact CG2-ND1 3.46Å; I103-H148 HydrophobicContact CB-CB 4.15Å; I103-H148 HydrophobicContact CG1-CB 4.47Å; A145-H148 WeakPolarHBondContact O-CB 3.48Å; A145-H148 PolarHBondContact O-N 3.4Å; L146-H148 PolarHBondContact O-N 2.9Å; H148-L150 VanDerWaalsContact C-N 3.35Å; H148-L150 PolarHBondContact O-N 3.06Å; H148-K151 WeakPolarHBondContact O-CB 3.17Å; H148-K151 PolarHBondContact O-N 2.91Å; H148-T152 PolarHBondContact O-N 2.78Å; H148-T152 PolarHBondContact O-OG1 3.25Å
149	L	97.9	Very high	98.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-42.5	174.2	-70.4	167.3	0	0	0	111.9	V106 A145 L146 T152 K153 G154 V156 V197	V106-L149 HydrophobicContact CG2-CD1 4.26Å; V106-L149 HydrophobicContact CG2-CD2 4.22Å; V106-L149 HydrophobicContact CG2-CG 4.47Å; A145-L149 HydrophobicContact CB-CD1 4Å; A145-L149 HydrophobicContact CB-CG 4.36Å; A145-L149 PolarHBondContact O-N 2.84Å; L146-L149 PolarHBondContact O-N 3.07Å; L149-T152 PolarHBondContact O-N 3.48Å; L149-T152 PolarHBondContact O-OG1 3.08Å; L149-K153 WeakPolarHBondContact O-CA 3.46Å; L149-K153 PolarHBondContact O-N 3.25Å; L149-G154 PolarHBondContact O-N 3.48Å; L149-G154 VanDerWaalsContact O-N 3.11Å; L149-V156 HydrophobicContact CD1-CG2 3.54Å; L149-V156 HydrophobicContact CD2-CG2 4.44Å; L149-V197 HydrophobicContact CB-CG1 4.25Å; L149-V197 HydrophobicContact CB-CG2 4.36Å; L149-V197 WeakPolarHBondContact O-CG2 3.42Å
150	L	97.9	Very high	98	Very high	66 Å²	66	40.8 Å²	40.8	35%	0.346	20%	0.199	S	C	.	.	H	α-helix	trans	-64.3	-38.7	175.7	-70.7	170.7	0	0	0	112.2	L146 H148 L192 H195 V197	L146-L150 HydrophobicContact CD1-CD1 3.98Å; L146-L150 HydrophobicContact CD1-CG 3.99Å; L146-L150 HydrophobicContact CG-CD1 3.89Å; L146-L150 HydrophobicContact CG-CG 4.35Å; L146-L150 WeakPolarHBondContact O-CB 3.38Å; L146-L150 VanDerWaalsContact O-CG 3.27Å; L146-L150 WeakPolarHBondContact O-CG 3.39Å; L146-L150 PolarHBondContact O-N 2.99Å; H148-L150 VanDerWaalsContact C-N 3.35Å; H148-L150 PolarHBondContact O-N 3.06Å; L150-L192 HydrophobicContact CD2-CD2 4.27Å; L150-H195 HydrophobicContact CD2-CB 3.47Å; L150-H195 VanDerWaalsContact CD2-CB 3.47Å; L150-V197 HydrophobicContact CD2-CG2 4.29Å
151	K	97.1	Very high	97.9	Very high	136 Å²	136	38.2 Å²	38.2	59%	0.591	19%	0.188	S	C	*	.	H	α-helix	trans	-63.5	-43.4	175.9	-178.2	-172.6	174.5	-167.6	0	111.2	D101 K147 H148	D101-K151 IonicContact OD2-NZ 3.67Å; K147-K151 PolarHBondContact O-N 3.01Å; H148-K151 WeakPolarHBondContact O-CB 3.17Å; H148-K151 PolarHBondContact O-N 2.91Å
152	T	96.6	Very high	97.7	Very high	31 Å²	31	38.6 Å²	38.6	19%	0.19	19%	0.19	C	C	.	.	H	α-helix	trans	-87	-13.9	-175.9	55	0	0	0	0	113.8	R102 I103 D104 H148 L149 G154	R102-T152 HydrophobicContact CB-CG2 4.17Å; I103-T152 WeakPolarHBondContact O-CG2 2.97Å; I103-T152 PolarHBondContact O-OG1 3.31Å; D104-T152 WeakPolarHBondContact OD1-CB 3.38Å; D104-T152 WeakPolarHBondContact OD1-CG2 3.17Å; H148-T152 PolarHBondContact O-N 2.78Å; H148-T152 PolarHBondContact O-OG1 3.25Å; L149-T152 PolarHBondContact O-N 3.48Å; L149-T152 PolarHBondContact O-OG1 3.08Å; T152-G154 PolarHBondContact O-N 2.91Å; T152-G154 PolarHBondContact OG1-N 3Å
153	K	97.7	Very high	97.4	Very high	148 Å²	148	39 Å²	39	64%	0.643	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	41.3	-165.8	-55	-178.1	-178.7	-179.3	0	111.1	L149	L149-K153 WeakPolarHBondContact O-CA 3.46Å; L149-K153 PolarHBondContact O-N 3.25Å
154	G	97.4	Very high	97.1	Very high	10 Å²	10	34.7 Å²	34.7	10%	0.103	17%	0.174	C	C	.	.			trans	-76	-153.7	-173.4	0	0	0	0	0	113.9	D104 L149 T152 V197 R198	D104-G154 CarbonylContact O-C 3.49Å; D104-G154 WeakPolarHBondContact O-CA 3.33Å; L149-G154 PolarHBondContact O-N 3.48Å; L149-G154 VanDerWaalsContact O-N 3.11Å; T152-G154 PolarHBondContact O-N 2.91Å; T152-G154 PolarHBondContact OG1-N 3Å; G154-V197 WeakPolarHBondContact O-CA 3.44Å; G154-R198 PolarHBondContact O-N 2.63Å; G154-R198 VanDerWaalsContact O-N 3.15Å
155	C	98.2	Very high	96.8	Very high	3 Å²	3	38 Å²	38	2%	0.02	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	163.2	175.7	68	0	0	0	0	114.4	D104 V105 V106 R198 A297	D104-C155 PolarHBondContact O-N 2.95Å; V105-C155 WeakPolarHBondContact CA-O 3.3Å; V106-C155 PolarHBondContact N-O 3.49Å; C155-R198 CarbonylContact C-O 3.39Å; C155-R198 WeakPolarHBondContact CA-O 3.44Å; C155-R198 HydrophobicContact CB-CB 3.95Å; C155-R198 VanDerWaalsContact CB-O 3.25Å; C155-R198 WeakPolarHBondContact CB-O 3.49Å; C155-A297 VanDerWaalsContact SG-CA 3.58Å; C155-A297 PolarHBondContact SG-O 3.04Å
156	V	98.8	Very high	96.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.7	171.8	-177.5	0	0	0	0	109	V106 L149 M188 R198 V199 N200	V106-V156 HydrophobicContact CB-CG2 4.35Å; V106-V156 CarbonylContact O-C 3.46Å; V106-V156 VanDerWaalsContact O-CA 3.31Å; V106-V156 WeakPolarHBondContact O-CA 3.41Å; L149-V156 HydrophobicContact CD1-CG2 3.54Å; L149-V156 HydrophobicContact CD2-CG2 4.44Å; V156-M188 HydrophobicContact CG2-CE 3.81Å; V156-M188 HydrophobicContact CG2-SD 4.47Å; V156-R198 PolarHBondContact N-O 3.08Å; V156-V199 HydrophobicContact CB-CB 4.46Å; V156-V199 HydrophobicContact CB-CG1 4.06Å; V156-V199 HydrophobicContact CB-CG2 4.11Å; V156-V199 HydrophobicContact CG1-CG1 4.41Å; V156-V199 HydrophobicContact CG2-CG2 4.34Å; V156-V199 WeakPolarHBondContact O-CA 3.43Å; V156-N200 PolarHBondContact O-N 3.44Å
157	V	98.8	Very high	95.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115	170.9	-171	0	0	0	0	109.5	V106 V107 N108 N200 V293 L296 A297	V106-V157 PolarHBondContact O-N 3.27Å; V107-V157 CarbonylContact C-O 3.57Å; V107-V157 VanDerWaalsContact CA-O 3.32Å; V107-V157 WeakPolarHBondContact CA-O 3.45Å; N108-V157 PolarHBondContact N-O 3.06Å; V157-N200 WeakPolarHBondContact CA-O 3.29Å; V157-V293 HydrophobicContact CB-CG1 4.11Å; V157-V293 HydrophobicContact CG1-CB 4.31Å; V157-V293 HydrophobicContact CG1-CG1 3.85Å; V157-V293 HydrophobicContact CG1-CG2 4.16Å; V157-L296 HydrophobicContact CG1-CB 4.42Å; V157-L296 HydrophobicContact CG1-CD1 4.34Å; V157-L296 HydrophobicContact CG2-CB 4.11Å; V157-A297 HydrophobicContact CG2-CB 4.13Å
158	N	98.8	Very high	94.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.7	177.5	-62.1	-41.1	0	0	0	110.1	N108 M181 T185 N200 S201 V202	N108-N158 VanDerWaalsContact CB-OD1 3.32Å; N108-N158 WeakPolarHBondContact CB-OD1 3.15Å; N108-N158 PolarHBondContact ND2-OD1 2.73Å; N158-M181 HydrophobicContact CB-CE 3.84Å; N158-T185 PolarHBondContact ND2-OG1 3.48Å; N158-N200 PolarHBondContact N-O 2.94Å; N158-S201 CarbonylContact O-C 3.58Å; N158-S201 WeakPolarHBondContact O-CA 3.38Å; N158-S201 PolarHBondContact O-OG 3.27Å; N158-V202 PolarHBondContact O-N 2.9Å
159	V	98.4	Very high	93.9	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.055	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	94.9	170.8	-174.9	0	0	0	0	108.9	I34 I38 V107 N108 N109 K178 V202 P204 V293	I34-V159 HydrophobicContact CG2-CG1 4.18Å; I38-V159 HydrophobicContact CD1-CG2 3.88Å; V107-V159 HydrophobicContact CG1-CG2 4.26Å; N108-V159 PolarHBondContact O-N 3.41Å; N109-V159 HydrophobicContact CB-CB 4.15Å; N109-V159 HydrophobicContact CB-CG2 3.71Å; V159-K178 PolarHBondContact O-NZ 3.11Å; V159-V202 HydrophobicContact CB-CG2 4.23Å; V159-V202 HydrophobicContact CG1-CG2 4.11Å; V159-V202 HydrophobicContact CG2-CG2 3.97Å; V159-P204 HydrophobicContact CG1-CG 4.15Å; V159-V293 HydrophobicContact CG2-CG2 4.29Å
160	S	97.6	Very high	93.3	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.028	26%	0.256	C	S	.	.			trans	-87.4	-137.7	178.3	-171.5	0	0	0	0	110.8	K178 D182 S201 V202 N203	S160-K178 PolarHBondContact OG-O 2.92Å; S160-D182 WeakPolarHBondContact CB-OD1 3.27Å; S160-D182 PolarHBondContact OG-OD1 3.12Å; S160-S201 WeakPolarHBondContact CB-OG 3.31Å; S160-V202 PolarHBondContact N-O 2.87Å; S160-N203 WeakPolarHBondContact CB-ND2 3.39Å; S160-N203 PolarHBondContact OG-ND2 3.22Å
161	S	95.9	Very high	92.8	Very high	11 Å²	11	47.5 Å²	47.5	8%	0.077	24%	0.243	C	C	.	.			trans	-163.7	156.3	176.5	-180	0	0	0	0	109.6	C163 G164 N203	S161-C163 PolarHBondContact O-N 2.89Å; S161-C163 VanDerWaalsContact O-N 3.15Å; S161-C163 PolarHBondContact OG-N 2.92Å; S161-G164 PolarHBondContact O-N 3.15Å; S161-N203 PolarHBondContact O-ND2 3.34Å
162	I	94.3	Very high	92.5	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.036	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-55.4	-25.5	165.5	58.9	162.3	0	0	0	113.3	G164 R165 R166 P204 D312 L315	I162-G164 PolarHBondContact O-N 3.45Å; I162-G164 VanDerWaalsContact O-N 3.11Å; I162-R165 PolarHBondContact O-N 3.2Å; I162-R166 PolarHBondContact O-N 2.81Å; I162-P204 PolarHBondContact N-O 2.94Å; I162-D312 HydrophobicContact CG2-CB 3.43Å; I162-D312 VanDerWaalsContact CG2-CB 3.43Å; I162-D312 WeakPolarHBondContact CG2-OD2 3.36Å; I162-L315 HydrophobicContact CD1-CB 4.43Å; I162-L315 HydrophobicContact CD1-CD2 3.33Å; I162-L315 HydrophobicContact CD1-CG 3.86Å
163	C	92	Very high	92.4	Very high	10 Å²	10	43.5 Å²	43.5	7%	0.068	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-62.8	-17.1	176.9	-66.6	0	0	0	0	112.7	S161 R165 R166 Y174 S175	S161-C163 PolarHBondContact O-N 2.89Å; S161-C163 VanDerWaalsContact O-N 3.15Å; S161-C163 PolarHBondContact OG-N 2.92Å; C163-R165 VanDerWaalsContact C-N 3.29Å; C163-R166 WeakPolarHBondContact CA-O 3.35Å; C163-Y174 HydrophobicContact CB-CD1 3.82Å; C163-Y174 HydrophobicContact CB-CE1 3.82Å; C163-S175 WeakPolarHBondContact O-CA 3.35Å; C163-S175 WeakPolarHBondContact O-CB 3.5Å
164	G	92.8	Very high	92.2	Very high	15 Å²	15	37.9 Å²	37.9	16%	0.155	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-74.8	-15.8	172	0	0	0	0	0	114.3	S161 I162 A179	S161-G164 PolarHBondContact O-N 3.15Å; I162-G164 PolarHBondContact O-N 3.45Å; I162-G164 VanDerWaalsContact O-N 3.11Å; G164-A179 WeakPolarHBondContact O-CB 3.33Å
165	R	90.8	Very high	92.1	Very high	100 Å²	100	38.1 Å²	38.1	38%	0.377	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-33.2	-177.5	-53.2	-171.5	-159.4	159.2	12.4	113.6	I162 C163 D182 N203 L308	I162-R165 PolarHBondContact O-N 3.2Å; C163-R165 VanDerWaalsContact C-N 3.29Å; R165-D182 WeakPolarHBondContact CG-OD2 3.38Å; R165-D182 IonicContact NE-OD2 2.83Å; R165-N203 VanDerWaalsContact NH2-CB 3.34Å; R165-N203 PolarHBondContact NH2-OD1 3.42Å; R165-L308 VanDerWaalsContact CZ-CB 3.45Å; R165-L308 PolarHBondContact NH1-O 3.44Å; R165-L308 PolarHBondContact NH2-O 3.25Å
166	R	86.9	Confident	92	Very high	115 Å²	115	42.3 Å²	42.3	43%	0.434	22%	0.222	S	C	.	.	S	Bend	trans	-121	120.4	-179.5	-179.1	178.6	178.4	140.9	7.6	108.9	I162 C163 L315	I162-R166 PolarHBondContact O-N 2.81Å; C163-R166 WeakPolarHBondContact CA-O 3.35Å; R166-L315 PolarHBondContact NH1-O 2.8Å
167	P	83.9	Confident	91.9	Very high	111 Å²	111	42.3 Å²	42.3	72%	0.721	22%	0.222	S	C	*	.			trans	-65.6	143.1	177.9	28	-34	0	0	0	110.5
168	M	80.8	Confident	91.8	Very high	71 Å²	71	42.8 Å²	42.8	35%	0.35	23%	0.225	S	C	.	.			trans	-117.5	139.7	169.1	-67.7	-169.8	84.1	0	0	109.9	N170 R171	M168-N170 PolarHBondContact O-N 2.61Å; M168-R171 HydrophobicContact CB-CB 4.07Å; M168-R171 HydrophobicContact CB-CG 3.75Å; M168-R171 WeakPolarHBondContact O-CB 3.24Å; M168-R171 PolarHBondContact O-N 3.25Å; M168-R171 VanDerWaalsContact O-N 3.14Å
169	P	79.6	Confident	91.8	Very high	107 Å²	107	44.8 Å²	44.8	70%	0.695	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	140.9	176	-26.8	34.8	0	0	0	111.7	R171	P169-R171 PolarHBondContact O-N 3.27Å; P169-R171 VanDerWaalsContact O-N 3.14Å
170	N	84.3	Confident	91.8	Very high	91 Å²	91	45.8 Å²	45.8	49%	0.487	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	13.4	180	-51.9	-23.6	0	0	0	114.6	G116 S117 M168	G116-N170 CarbonylContact C-O 3.6Å; G116-N170 WeakPolarHBondContact CA-O 3.48Å; S117-N170 PolarHBondContact N-O 2.79Å; S117-N170 WeakPolarHBondContact O-CA 3.3Å; M168-N170 PolarHBondContact O-N 2.61Å
171	R	87.7	Confident	91.8	Very high	19 Å²	19	45.8 Å²	45.8	7%	0.072	25%	0.25	C	C	.	.			trans	-111.6	29.9	-179.5	-60.1	-58.9	-171.5	-176.3	-1	114.1	I114 M168 P169 F173 Y174 S175 D217 T219	I114-R171 PolarHBondContact O-NH1 2.86Å; M168-R171 HydrophobicContact CB-CB 4.07Å; M168-R171 HydrophobicContact CB-CG 3.75Å; M168-R171 WeakPolarHBondContact O-CB 3.24Å; M168-R171 PolarHBondContact O-N 3.25Å; M168-R171 VanDerWaalsContact O-N 3.14Å; P169-R171 PolarHBondContact O-N 3.27Å; P169-R171 VanDerWaalsContact O-N 3.14Å; R171-F173 PolarHBondContact O-N 3.03Å; R171-Y174 PolarHBondContact O-N 3.3Å; R171-S175 VanDerWaalsContact O-CB 3.22Å; R171-S175 WeakPolarHBondContact O-CB 3.22Å; R171-S175 PolarHBondContact O-N 2.73Å; R171-S175 PolarHBondContact O-OG 3.01Å; R171-D217 IonicContact CZ-OD1 3.4Å; R171-D217 IonicContact CZ-OD2 3.46Å; R171-D217 IonicContact NH1-OD1 3.55Å; R171-D217 IonicContact NH1-OD2 3.53Å; R171-D217 PolarHBondContact NH1-OD2 2.71Å; R171-D217 IonicContact NH2-OD1 2.68Å; R171-D217 PolarHBondContact NH2-OD1 3.45Å; R171-D217 IonicContact NH2-OD2 2.8Å; R171-D217 PolarHBondContact NH2-OD2 2.96Å; R171-T219 PolarHBondContact NH2-OG1 2.94Å; R171-T219 VanDerWaalsContact NH2-OG1 3.15Å
172	V	92.1	Very high	91.9	Very high	51 Å²	51	45.7 Å²	45.7	31%	0.309	25%	0.248	S	C	.	.	H	α-helix	trans	-52.1	-62.7	-170	179.5	0	0	0	0	112.3	L119 L122 Y174 S175 M176	L119-V172 HydrophobicContact CD2-CG2 3.81Å; L122-V172 HydrophobicContact CD1-CB 3.98Å; L122-V172 HydrophobicContact CD1-CG1 4.12Å; L122-V172 HydrophobicContact CD1-CG2 4.1Å; L122-V172 HydrophobicContact CD2-CB 4.46Å; V172-Y174 PolarHBondContact O-N 2.98Å; V172-S175 PolarHBondContact O-N 3.34Å; V172-M176 HydrophobicContact CG1-SD 4.08Å; V172-M176 VanDerWaalsContact O-CG 3.3Å; V172-M176 WeakPolarHBondContact O-CG 3.22Å; V172-M176 PolarHBondContact O-N 3.27Å
173	F	94.5	Very high	92.1	Very high	31 Å²	31	50.6 Å²	50.6	14%	0.136	27%	0.273	C	S	.	.	H	α-helix	trans	-69.3	-33.9	-177	-58.8	-33.3	0	0	0	113.6	L122 K123 D126 F127 L130 R171 M176 S177	L122-F173 HydrophobicContact CB-CE2 3.78Å; L122-F173 HydrophobicContact CB-CZ 3.8Å; L122-F173 HydrophobicContact CD1-CE1 4.24Å; L122-F173 HydrophobicContact CD1-CE2 4.33Å; L122-F173 HydrophobicContact CD1-CZ 3.93Å; L122-F173 HydrophobicContact CD2-CD2 4Å; L122-F173 HydrophobicContact CD2-CE2 3.74Å; L122-F173 HydrophobicContact CD2-CZ 4.19Å; L122-F173 HydrophobicContact CG-CE2 4.16Å; L122-F173 HydrophobicContact CG-CZ 4.2Å; K123-F173 WeakPolarHBondContact O-CE2 3.4Å; D126-F173 HydrophobicContact CB-CD2 4.29Å; F127-F173 HydrophobicContact CB-CB 4.42Å; F127-F173 HydrophobicContact CB-CD1 3.81Å; F127-F173 HydrophobicContact CB-CD2 3.73Å; F127-F173 HydrophobicContact CB-CE1 3.9Å; F127-F173 HydrophobicContact CB-CE2 3.82Å; F127-F173 HydrophobicContact CB-CG 3.73Å; F127-F173 HydrophobicContact CB-CZ 3.89Å; F127-F173 HydrophobicContact CD2-CB 4.32Å; F127-F173 AromaticContact CD2-CD1 3.62Å; F127-F173 HydrophobicContact CD2-CD1 3.62Å; F127-F173 HydrophobicContact CD2-CE1 4.12Å; F127-F173 HydrophobicContact CD2-CG 4.05Å; F127-F173 HydrophobicContact CG-CD1 4.13Å; F127-F173 HydrophobicContact CG-CE1 4.31Å; F127-F173 HydrophobicContact CG-CG 4.39Å; L130-F173 HydrophobicContact CD1-CB 3.56Å; R171-F173 PolarHBondContact O-N 3.03Å; F173-M176 HydrophobicContact CD1-SD 4Å; F173-M176 PolarHBondContact O-N 3.49Å; F173-S177 WeakPolarHBondContact O-CB 3.18Å; F173-S177 PolarHBondContact O-N 3.26Å
174	Y	93.3	Very high	92.4	Very high	30 Å²	30	51.6 Å²	51.6	12%	0.118	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-46	175.3	-178.1	-101.5	0	0	0	111	M112 L113 L130 C163 R171 V172 M176 S177 K178	M112-Y174 WeakPolarHBondContact O-CE2 3.26Å; L113-Y174 HydrophobicContact CB-CD2 4.49Å; L113-Y174 HydrophobicContact CB-CE2 4.36Å; L113-Y174 HydrophobicContact CD1-CD1 3.88Å; L113-Y174 HydrophobicContact CD1-CD2 3.39Å; L113-Y174 HydrophobicContact CD1-CE1 4.15Å; L113-Y174 HydrophobicContact CD1-CE2 3.7Å; L113-Y174 HydrophobicContact CD1-CG 3.48Å; L113-Y174 VanDerWaalsContact CD1-CG 3.48Å; L130-Y174 HydrophobicContact CD2-CD2 4.23Å; C163-Y174 HydrophobicContact CB-CD1 3.82Å; C163-Y174 HydrophobicContact CB-CE1 3.82Å; R171-Y174 PolarHBondContact O-N 3.3Å; V172-Y174 PolarHBondContact O-N 2.98Å; Y174-M176 PolarHBondContact O-N 3.01Å; Y174-S177 PolarHBondContact O-N 3.03Å; Y174-S177 PolarHBondContact O-OG 2.81Å; Y174-K178 HydrophobicContact CD1-CG 4.49Å; Y174-K178 HydrophobicContact CE1-CG 4.05Å; Y174-K178 HydrophobicContact CE2-CG 4.27Å; Y174-K178 PolarHBondContact O-N 2.89Å; Y174-K178 WeakPolarHBondContact OH-CE 3.19Å
175	S	94.4	Very high	92.7	Very high	15 Å²	15	50.9 Å²	50.9	11%	0.105	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-44.5	177.2	-54.8	0	0	0	0	111	C163 R171 V172 S177 K178 A179	C163-S175 WeakPolarHBondContact O-CA 3.35Å; C163-S175 WeakPolarHBondContact O-CB 3.5Å; R171-S175 VanDerWaalsContact O-CB 3.22Å; R171-S175 WeakPolarHBondContact O-CB 3.22Å; R171-S175 PolarHBondContact O-N 2.73Å; R171-S175 PolarHBondContact O-OG 3.01Å; V172-S175 PolarHBondContact O-N 3.34Å; S175-S177 PolarHBondContact O-N 3.15Å; S175-K178 PolarHBondContact O-N 2.86Å; S175-A179 WeakPolarHBondContact O-CB 3.45Å; S175-A179 PolarHBondContact O-N 3.2Å
176	M	96	Very high	93.1	Very high	91 Å²	91	51 Å²	51	45%	0.448	27%	0.272	S	S	.	.	H	α-helix	trans	-58	-46.3	173.4	-69.8	172.9	72.8	0	0	112.1	F127 V172 F173 Y174 K178 A179 A180	F127-M176 HydrophobicContact CD2-CE 4.48Å; F127-M176 HydrophobicContact CE2-CE 3.8Å; F127-M176 HydrophobicContact CE2-SD 4.48Å; V172-M176 HydrophobicContact CG1-SD 4.08Å; V172-M176 VanDerWaalsContact O-CG 3.3Å; V172-M176 WeakPolarHBondContact O-CG 3.22Å; V172-M176 PolarHBondContact O-N 3.27Å; F173-M176 HydrophobicContact CD1-SD 4Å; F173-M176 PolarHBondContact O-N 3.49Å; Y174-M176 PolarHBondContact O-N 3.01Å; M176-K178 VanDerWaalsContact C-N 3.3Å; M176-K178 PolarHBondContact O-N 2.94Å; M176-A179 PolarHBondContact O-N 3.41Å; M176-A180 WeakPolarHBondContact O-CB 3.49Å; M176-A180 PolarHBondContact O-N 3.4Å
177	S	97.2	Very high	93.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-37.2	179.5	77.8	0	0	0	0	112.6	N134 V135 F173 Y174 S175 M181	N134-S177 PolarHBondContact ND2-OG 2.97Å; V135-S177 VanDerWaalsContact CG2-O 3.3Å; V135-S177 WeakPolarHBondContact CG2-O 3.32Å; F173-S177 WeakPolarHBondContact O-CB 3.18Å; F173-S177 PolarHBondContact O-N 3.26Å; Y174-S177 PolarHBondContact O-N 3.03Å; Y174-S177 PolarHBondContact O-OG 2.81Å; S175-S177 PolarHBondContact O-N 3.15Å; S177-M181 PolarHBondContact O-N 3.34Å; S177-M181 VanDerWaalsContact O-N 3.17Å
178	K	97.2	Very high	94.4	Very high	11 Å²	11	44 Å²	44	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-79.4	-31.3	178.7	-66.2	-62	-168.6	178.1	0	112.4	V159 S160 Y174 S175 M176 A180 M181 D182	V159-K178 PolarHBondContact O-NZ 3.11Å; S160-K178 PolarHBondContact OG-O 2.92Å; Y174-K178 HydrophobicContact CD1-CG 4.49Å; Y174-K178 HydrophobicContact CE1-CG 4.05Å; Y174-K178 HydrophobicContact CE2-CG 4.27Å; Y174-K178 PolarHBondContact O-N 2.89Å; Y174-K178 WeakPolarHBondContact OH-CE 3.19Å; S175-K178 PolarHBondContact O-N 2.86Å; M176-K178 VanDerWaalsContact C-N 3.3Å; M176-K178 PolarHBondContact O-N 2.94Å; K178-A180 VanDerWaalsContact C-N 3.33Å; K178-M181 PolarHBondContact O-N 2.73Å; K178-D182 PolarHBondContact O-N 2.99Å
179	A	97.7	Very high	95.2	Very high	41 Å²	41	40.8 Å²	40.8	34%	0.339	22%	0.224	S	C	.	.	H	α-helix	trans	-65.2	-38	169.3	0	0	0	0	0	111.6	G164 S175 M176 D182 M183	G164-A179 WeakPolarHBondContact O-CB 3.33Å; S175-A179 WeakPolarHBondContact O-CB 3.45Å; S175-A179 PolarHBondContact O-N 3.2Å; M176-A179 PolarHBondContact O-N 3.41Å; A179-D182 PolarHBondContact O-N 2.9Å; A179-M183 PolarHBondContact O-N 3.48Å
180	A	98.4	Very high	96.1	Very high	31 Å²	31	41.9 Å²	41.9	26%	0.256	22%	0.223	S	C	.	.	H	α-helix	trans	-62.7	-41.8	173.4	0	0	0	0	0	111.8	M131 V135 M176 K178 D182 M183 F184	M131-A180 HydrophobicContact CE-CB 4.21Å; V135-A180 HydrophobicContact CG1-CB 4.12Å; V135-A180 HydrophobicContact CG2-CB 3.9Å; M176-A180 WeakPolarHBondContact O-CB 3.49Å; M176-A180 PolarHBondContact O-N 3.4Å; K178-A180 VanDerWaalsContact C-N 3.33Å; A180-D182 PolarHBondContact O-N 3.06Å; A180-M183 PolarHBondContact O-N 3.29Å; A180-F184 WeakPolarHBondContact O-CB 3.41Å; A180-F184 PolarHBondContact O-N 3.35Å
181	M	98.4	Very high	96.8	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-38.3	173.7	-75.3	-56.3	-64	0	0	113.2	N134 V135 A138 N158 S177 K178 F184 T185	N134-M181 WeakPolarHBondContact O-CG 3.11Å; V135-M181 HydrophobicContact CG1-SD 4.41Å; V135-M181 HydrophobicContact CG2-CG 4.36Å; A138-M181 HydrophobicContact CB-CE 3.63Å; A138-M181 HydrophobicContact CB-SD 3.89Å; N158-M181 HydrophobicContact CB-CE 3.84Å; S177-M181 PolarHBondContact O-N 3.34Å; S177-M181 VanDerWaalsContact O-N 3.17Å; K178-M181 PolarHBondContact O-N 2.73Å; M181-F184 HydrophobicContact CE-CD1 4.13Å; M181-F184 PolarHBondContact O-N 2.94Å; M181-F184 HydrophobicContact SD-CD1 4.33Å; M181-T185 WeakPolarHBondContact O-CB 3.27Å; M181-T185 PolarHBondContact O-N 3.26Å; M181-T185 PolarHBondContact O-OG1 3.19Å
182	D	98.3	Very high	97.3	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.048	23%	0.228	C	C	.	.	H	α-helix	trans	-63.3	-41.8	175.2	-77	5	0	0	0	111.3	S160 R165 K178 A179 A180 T185 K186 N203 L308	S160-D182 WeakPolarHBondContact CB-OD1 3.27Å; S160-D182 PolarHBondContact OG-OD1 3.12Å; R165-D182 WeakPolarHBondContact CG-OD2 3.38Å; R165-D182 IonicContact NE-OD2 2.83Å; K178-D182 PolarHBondContact O-N 2.99Å; A179-D182 PolarHBondContact O-N 2.9Å; A180-D182 PolarHBondContact O-N 3.06Å; D182-T185 WeakPolarHBondContact O-CB 3.48Å; D182-K186 PolarHBondContact O-N 2.98Å; D182-N203 VanDerWaalsContact CG-ND2 3.33Å; D182-N203 PolarHBondContact OD1-ND2 2.91Å; D182-N203 PolarHBondContact OD2-ND2 2.83Å; D182-L308 HydrophobicContact CB-CD1 3.76Å; D182-L308 HydrophobicContact CB-CD2 4.28Å
183	M	98.5	Very high	97.6	Very high	111 Å²	111	42.4 Å²	42.4	55%	0.547	23%	0.232	S	C	.	.	H	α-helix	trans	-71.2	-39.8	175.8	-172.8	56.8	72.4	0	0	112.5	A179 A180 T185 K186 T187	A179-M183 PolarHBondContact O-N 3.48Å; A180-M183 PolarHBondContact O-N 3.29Å; M183-T185 VanDerWaalsContact C-N 3.27Å; M183-T185 PolarHBondContact O-N 3.15Å; M183-K186 PolarHBondContact O-N 3.47Å; M183-T187 HydrophobicContact CG-CG2 4.28Å; M183-T187 WeakPolarHBondContact O-CG2 3.49Å; M183-T187 PolarHBondContact O-N 3.42Å; M183-T187 PolarHBondContact O-OG1 3.32Å; M183-T187 HydrophobicContact SD-CG2 4.13Å
184	F	98.6	Very high	97.8	Very high	31 Å²	31	46.1 Å²	46.1	14%	0.136	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-42.5	174	176.2	-120.8	0	0	0	111.3	V139 A180 M181 K186 T187 M188	V139-F184 HydrophobicContact CB-CE2 4.37Å; V139-F184 HydrophobicContact CB-CZ 4.3Å; V139-F184 HydrophobicContact CG1-CE2 4.25Å; V139-F184 HydrophobicContact CG2-CD1 4.11Å; V139-F184 HydrophobicContact CG2-CD2 3.85Å; V139-F184 HydrophobicContact CG2-CE1 4.1Å; V139-F184 HydrophobicContact CG2-CE2 3.84Å; V139-F184 HydrophobicContact CG2-CG 3.99Å; V139-F184 HydrophobicContact CG2-CZ 3.97Å; A180-F184 WeakPolarHBondContact O-CB 3.41Å; A180-F184 PolarHBondContact O-N 3.35Å; M181-F184 HydrophobicContact CE-CD1 4.13Å; M181-F184 PolarHBondContact O-N 2.94Å; M181-F184 HydrophobicContact SD-CD1 4.33Å; F184-K186 PolarHBondContact O-N 3.43Å; F184-T187 WeakPolarHBondContact CA-OG1 3.37Å; F184-T187 PolarHBondContact O-N 2.96Å; F184-T187 PolarHBondContact O-OG1 2.77Å; F184-T187 VanDerWaalsContact O-OG1 3.07Å; F184-M188 HydrophobicContact CE1-SD 4.1Å; F184-M188 HydrophobicContact CE2-CB 4.26Å; F184-M188 HydrophobicContact CE2-SD 4.22Å; F184-M188 HydrophobicContact CZ-SD 3.62Å; F184-M188 VanDerWaalsContact O-CB 3.23Å; F184-M188 WeakPolarHBondContact O-CB 3.39Å; F184-M188 PolarHBondContact O-N 3.14Å
185	T	98.8	Very high	98	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-56.6	-48.9	175.2	-58.7	0	0	0	0	111.7	N158 M181 D182 M183 A189 V199 L308	N158-T185 PolarHBondContact ND2-OG1 3.48Å; M181-T185 WeakPolarHBondContact O-CB 3.27Å; M181-T185 PolarHBondContact O-N 3.26Å; M181-T185 PolarHBondContact O-OG1 3.19Å; D182-T185 WeakPolarHBondContact O-CB 3.48Å; M183-T185 VanDerWaalsContact C-N 3.27Å; M183-T185 PolarHBondContact O-N 3.15Å; T185-A189 WeakPolarHBondContact O-CB 3.49Å; T185-A189 PolarHBondContact O-N 2.94Å; T185-V199 HydrophobicContact CG2-CG1 4.08Å; T185-L308 HydrophobicContact CG2-CD2 3.87Å
186	K	98.7	Very high	98.2	Very high	102 Å²	102	51 Å²	51	44%	0.443	29%	0.291	S	S	.	.	H	α-helix	trans	-67.7	-44.1	-177.4	-71.8	178.9	174.5	177.5	0	112.8	D182 M183 F184 A189 L190 L308	D182-K186 PolarHBondContact O-N 2.98Å; M183-K186 PolarHBondContact O-N 3.47Å; F184-K186 PolarHBondContact O-N 3.43Å; K186-A189 PolarHBondContact O-N 2.67Å; K186-L190 PolarHBondContact O-N 3.19Å; K186-L308 HydrophobicContact CG-CD2 4.48Å
187	T	98.5	Very high	98.3	Very high	64 Å²	64	46.8 Å²	46.8	39%	0.393	27%	0.27	S	S	.	.	H	α-helix	trans	-66.6	-48	-179.4	47.5	0	0	0	0	111.1	M183 F184 A189 L190 D191	M183-T187 HydrophobicContact CG-CG2 4.28Å; M183-T187 WeakPolarHBondContact O-CG2 3.49Å; M183-T187 PolarHBondContact O-N 3.42Å; M183-T187 PolarHBondContact O-OG1 3.32Å; M183-T187 HydrophobicContact SD-CG2 4.13Å; F184-T187 WeakPolarHBondContact CA-OG1 3.37Å; F184-T187 PolarHBondContact O-N 2.96Å; F184-T187 PolarHBondContact O-OG1 2.77Å; F184-T187 VanDerWaalsContact O-OG1 3.07Å; T187-A189 VanDerWaalsContact C-N 3.33Å; T187-A189 PolarHBondContact O-N 3.14Å; T187-L190 WeakPolarHBondContact O-CB 3.29Å; T187-L190 PolarHBondContact O-N 3.21Å; T187-D191 PolarHBondContact O-N 3.43Å
188	M	98.6	Very high	98.3	Very high	16 Å²	16	48.2 Å²	48.2	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-38.5	175.8	-166.9	-174.1	175.8	0	0	111.9	V156 F184 L190 D191 L192 V199	V156-M188 HydrophobicContact CG2-CE 3.81Å; V156-M188 HydrophobicContact CG2-SD 4.47Å; F184-M188 HydrophobicContact CE1-SD 4.1Å; F184-M188 HydrophobicContact CE2-CB 4.26Å; F184-M188 HydrophobicContact CE2-SD 4.22Å; F184-M188 HydrophobicContact CZ-SD 3.62Å; F184-M188 VanDerWaalsContact O-CB 3.23Å; F184-M188 WeakPolarHBondContact O-CB 3.39Å; F184-M188 PolarHBondContact O-N 3.14Å; M188-L190 PolarHBondContact O-N 3.15Å; M188-D191 PolarHBondContact O-N 2.9Å; M188-L192 HydrophobicContact CE-CD1 3.39Å; M188-L192 HydrophobicContact CG-CD1 3.64Å; M188-L192 HydrophobicContact CG-CG 4.2Å; M188-L192 VanDerWaalsContact O-CB 3.22Å; M188-L192 WeakPolarHBondContact O-CB 3.37Å; M188-L192 VanDerWaalsContact O-CG 3.23Å; M188-L192 WeakPolarHBondContact O-CG 3.48Å; M188-L192 PolarHBondContact O-N 3.38Å; M188-L192 HydrophobicContact SD-CD1 4.3Å; M188-V199 HydrophobicContact CB-CG1 4.27Å; M188-V199 HydrophobicContact CB-CG2 4.36Å; M188-V199 HydrophobicContact CE-CG2 4.34Å; M188-V199 HydrophobicContact CG-CG1 4.48Å; M188-V199 HydrophobicContact CG-CG2 3.93Å; M188-V199 HydrophobicContact SD-CG1 4.19Å; M188-V199 HydrophobicContact SD-CG2 4.04Å
189	A	98.8	Very high	98.4	Very high	3 Å²	3	47.7 Å²	47.7	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-42	175.1	0	0	0	0	0	112.8	T185 K186 T187 L192 A193 V199	T185-A189 WeakPolarHBondContact O-CB 3.49Å; T185-A189 PolarHBondContact O-N 2.94Å; K186-A189 PolarHBondContact O-N 2.67Å; T187-A189 VanDerWaalsContact C-N 3.33Å; T187-A189 PolarHBondContact O-N 3.14Å; A189-L192 PolarHBondContact O-N 3.33Å; A189-A193 VanDerWaalsContact O-CB 3.24Å; A189-A193 WeakPolarHBondContact O-CB 3.33Å; A189-A193 PolarHBondContact O-N 3.46Å; A189-V199 HydrophobicContact CB-CB 3.92Å
190	L	98.5	Very high	98.5	Very high	130 Å²	130	45.8 Å²	45.8	68%	0.681	26%	0.257	S	S	*	.	H	α-helix	trans	-61.3	-46.5	180	-180	63.1	0	0	0	111.1	K186 T187 M188 P194	K186-L190 PolarHBondContact O-N 3.19Å; T187-L190 WeakPolarHBondContact O-CB 3.29Å; T187-L190 PolarHBondContact O-N 3.21Å; M188-L190 PolarHBondContact O-N 3.15Å; L190-P194 WeakPolarHBondContact O-CD 3.38Å
191	D	98.3	Very high	98.5	Very high	111 Å²	111	44.3 Å²	44.3	59%	0.594	25%	0.245	S	C	*	.	H	α-helix	trans	-72.6	-31.1	-177.8	-67.3	-16.7	0	0	0	112.5	T187 M188 H195	T187-D191 PolarHBondContact O-N 3.43Å; M188-D191 PolarHBondContact O-N 2.9Å; D191-H195 PolarHBondContact O-CD2 3.34Å
192	L	98.5	Very high	98.5	Very high	15 Å²	15	44.1 Å²	44.1	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-94.5	-18.8	-174.3	-66.7	-170.8	0	0	0	115	L146 L150 M188 A189 H195 G196 V197 V199	L146-L192 HydrophobicContact CD1-CD1 4.1Å; L146-L192 HydrophobicContact CD1-CD2 3.6Å; L150-L192 HydrophobicContact CD2-CD2 4.27Å; M188-L192 HydrophobicContact CE-CD1 3.39Å; M188-L192 HydrophobicContact CG-CD1 3.64Å; M188-L192 HydrophobicContact CG-CG 4.2Å; M188-L192 VanDerWaalsContact O-CB 3.22Å; M188-L192 WeakPolarHBondContact O-CB 3.37Å; M188-L192 VanDerWaalsContact O-CG 3.23Å; M188-L192 WeakPolarHBondContact O-CG 3.48Å; M188-L192 PolarHBondContact O-N 3.38Å; M188-L192 HydrophobicContact SD-CD1 4.3Å; A189-L192 PolarHBondContact O-N 3.33Å; L192-H195 WeakPolarHBondContact O-CA 3.45Å; L192-H195 WeakPolarHBondContact O-CB 3.47Å; L192-H195 PolarHBondContact O-N 3.48Å; L192-G196 PolarHBondContact O-N 2.88Å; L192-V197 CarbonylContact C-O 3.44Å; L192-V197 HydrophobicContact CB-CB 4.01Å; L192-V197 HydrophobicContact CB-CG1 4.22Å; L192-V197 HydrophobicContact CD1-CB 4.35Å; L192-V197 HydrophobicContact CD1-CG1 3.79Å; L192-V197 PolarHBondContact O-N 2.83Å; L192-V199 HydrophobicContact CD1-CG2 4Å
193	A	98.3	Very high	98.5	Very high	46 Å²	46	43.7 Å²	43.7	38%	0.38	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-55.8	-42.8	179.1	0	0	0	0	0	113.7	A189 H195 G196 T305	A189-A193 VanDerWaalsContact O-CB 3.24Å; A189-A193 WeakPolarHBondContact O-CB 3.33Å; A189-A193 PolarHBondContact O-N 3.46Å; A193-H195 PolarHBondContact O-N 3.15Å; A193-H195 VanDerWaalsContact O-N 3.14Å; A193-G196 PolarHBondContact O-N 3.15Å; A193-T305 HydrophobicContact CB-CG2 4.13Å
194	P	98.2	Very high	98.3	Very high	109 Å²	109	38.8 Å²	38.8	71%	0.708	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-60.4	-23.1	175.3	-24.7	35.8	0	0	0	114.1	L190	L190-P194 WeakPolarHBondContact O-CD 3.38Å
195	H	98	Very high	98	Very high	110 Å²	110	37.9 Å²	37.9	51%	0.509	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-92.3	2	179.3	-57.8	-72.5	0	0	0	113.2	L150 D191 L192 A193 V197	L150-H195 HydrophobicContact CD2-CB 3.47Å; L150-H195 VanDerWaalsContact CD2-CB 3.47Å; D191-H195 PolarHBondContact O-CD2 3.34Å; L192-H195 WeakPolarHBondContact O-CA 3.45Å; L192-H195 WeakPolarHBondContact O-CB 3.47Å; L192-H195 PolarHBondContact O-N 3.48Å; A193-H195 PolarHBondContact O-N 3.15Å; A193-H195 VanDerWaalsContact O-N 3.14Å; H195-V197 VanDerWaalsContact C-N 3.27Å; H195-V197 PolarHBondContact O-N 3.48Å
196	G	97.6	Very high	97.4	Very high	38 Å²	38	40.2 Å²	40.2	39%	0.392	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	10.6	-178.6	0	0	0	0	0	114.2	L192 A193	L192-G196 PolarHBondContact O-N 2.88Å; A193-G196 PolarHBondContact O-N 3.15Å
197	V	98.6	Very high	96.8	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	21%	0.211	C	C	.	.			trans	-94.8	127.7	175.4	173.7	0	0	0	0	109.3	L149 L150 G154 L192 H195	L149-V197 HydrophobicContact CB-CG1 4.25Å; L149-V197 HydrophobicContact CB-CG2 4.36Å; L149-V197 WeakPolarHBondContact O-CG2 3.42Å; L150-V197 HydrophobicContact CD2-CG2 4.29Å; G154-V197 WeakPolarHBondContact O-CA 3.44Å; L192-V197 CarbonylContact C-O 3.44Å; L192-V197 HydrophobicContact CB-CB 4.01Å; L192-V197 HydrophobicContact CB-CG1 4.22Å; L192-V197 HydrophobicContact CD1-CB 4.35Å; L192-V197 HydrophobicContact CD1-CG1 3.79Å; L192-V197 PolarHBondContact O-N 2.83Å; H195-V197 VanDerWaalsContact C-N 3.27Å; H195-V197 PolarHBondContact O-N 3.48Å
198	R	98.8	Very high	96	Very high	31 Å²	31	34.9 Å²	34.9	12%	0.117	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	144.1	-178	-56.7	-179.3	-57.4	95.8	4.2	110.9	G154 C155 V156 L296 A297 S298 A301 I304 T305	G154-R198 PolarHBondContact O-N 2.63Å; G154-R198 VanDerWaalsContact O-N 3.15Å; C155-R198 CarbonylContact C-O 3.39Å; C155-R198 WeakPolarHBondContact CA-O 3.44Å; C155-R198 HydrophobicContact CB-CB 3.95Å; C155-R198 VanDerWaalsContact CB-O 3.25Å; C155-R198 WeakPolarHBondContact CB-O 3.49Å; V156-R198 PolarHBondContact N-O 3.08Å; R198-L296 VanDerWaalsContact CZ-O 3.31Å; R198-L296 PolarHBondContact NH1-O 3.28Å; R198-L296 PolarHBondContact NH2-O 3.48Å; R198-A297 PolarHBondContact NH2-O 3.31Å; R198-A297 VanDerWaalsContact NH2-O 3.1Å; R198-S298 PolarHBondContact NH2-O 3.39Å; R198-A301 WeakPolarHBondContact CD-O 2.98Å; R198-A301 PolarHBondContact NH1-O 3.26Å; R198-A301 VanDerWaalsContact NH1-O 3.11Å; R198-I304 PolarHBondContact NH1-O 2.75Å; R198-T305 WeakPolarHBondContact CA-OG1 3.25Å
199	V	98.9	Very high	95.1	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	123.4	175.3	-176	0	0	0	0	109.4	V156 T185 M188 A189 L192 T305 G306	V156-V199 HydrophobicContact CB-CB 4.46Å; V156-V199 HydrophobicContact CB-CG1 4.06Å; V156-V199 HydrophobicContact CB-CG2 4.11Å; V156-V199 HydrophobicContact CG1-CG1 4.41Å; V156-V199 HydrophobicContact CG2-CG2 4.34Å; V156-V199 WeakPolarHBondContact O-CA 3.43Å; T185-V199 HydrophobicContact CG2-CG1 4.08Å; M188-V199 HydrophobicContact CB-CG1 4.27Å; M188-V199 HydrophobicContact CB-CG2 4.36Å; M188-V199 HydrophobicContact CE-CG2 4.34Å; M188-V199 HydrophobicContact CG-CG1 4.48Å; M188-V199 HydrophobicContact CG-CG2 3.93Å; M188-V199 HydrophobicContact SD-CG1 4.19Å; M188-V199 HydrophobicContact SD-CG2 4.04Å; A189-V199 HydrophobicContact CB-CB 3.92Å; L192-V199 HydrophobicContact CD1-CG2 4Å; V199-T305 PolarHBondContact N-OG1 3.17Å; V199-G306 WeakPolarHBondContact O-CA 2.97Å; V199-G306 PolarHBondContact O-N 2.97Å
200	N	98.9	Very high	94.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	168.9	-180	-63	-71.4	0	0	0	110.6	V156 V157 N158 L296 I304 T305 G306 Q307	V156-N200 PolarHBondContact O-N 3.44Å; V157-N200 WeakPolarHBondContact CA-O 3.29Å; N158-N200 PolarHBondContact N-O 2.94Å; N200-L296 HydrophobicContact CB-CD1 4Å; N200-L296 HydrophobicContact CB-CD2 4.19Å; N200-L296 HydrophobicContact CB-CG 4.49Å; N200-I304 PolarHBondContact ND2-O 3.31Å; N200-T305 VanDerWaalsContact OD1-C 3.3Å; N200-T305 WeakPolarHBondContact OD1-CA 3.09Å; N200-G306 PolarHBondContact OD1-N 3.28Å; N200-Q307 WeakPolarHBondContact CA-O 3.38Å; N200-Q307 PolarHBondContact OD1-N 3.45Å
201	S	98.6	Very high	93.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.3	174.6	176.7	0	0	0	0	110.8	N158 S160 N203 Q307 L309	N158-S201 CarbonylContact O-C 3.58Å; N158-S201 WeakPolarHBondContact O-CA 3.38Å; N158-S201 PolarHBondContact O-OG 3.27Å; S160-S201 WeakPolarHBondContact CB-OG 3.31Å; S201-N203 PolarHBondContact OG-OD1 2.81Å; S201-N203 VanDerWaalsContact OG-OD1 3.11Å; S201-Q307 PolarHBondContact N-O 3.43Å; S201-L309 PolarHBondContact O-N 3.16Å
202	V	98.6	Very high	91.5	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	143.1	157.6	-61.6	0	0	0	0	109	N158 V159 S160 P204 V289 V293 L296 L309 V311	N158-V202 PolarHBondContact O-N 2.9Å; V159-V202 HydrophobicContact CB-CG2 4.23Å; V159-V202 HydrophobicContact CG1-CG2 4.11Å; V159-V202 HydrophobicContact CG2-CG2 3.97Å; S160-V202 PolarHBondContact N-O 2.87Å; V202-P204 HydrophobicContact CG2-CG 4.49Å; V202-P204 WeakPolarHBondContact O-CD 3.4Å; V202-V289 HydrophobicContact CG2-CG1 4.2Å; V202-V293 HydrophobicContact CB-CG2 4.35Å; V202-V293 HydrophobicContact CG1-CG2 3.82Å; V202-V293 HydrophobicContact CG2-CG2 3.57Å; V202-L296 HydrophobicContact CG1-CD1 3.65Å; V202-L309 CarbonylContact C-O 3.59Å; V202-L309 WeakPolarHBondContact CA-O 3.45Å; V202-V311 HydrophobicContact CB-CG2 4.32Å
203	N	97.7	Very high	89.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	86.7	179.8	-68.7	71.2	0	0	0	108.5	S160 S161 R165 D182 S201 L309 V311	S160-N203 WeakPolarHBondContact CB-ND2 3.39Å; S160-N203 PolarHBondContact OG-ND2 3.22Å; S161-N203 PolarHBondContact O-ND2 3.34Å; R165-N203 VanDerWaalsContact NH2-CB 3.34Å; R165-N203 PolarHBondContact NH2-OD1 3.42Å; D182-N203 VanDerWaalsContact CG-ND2 3.33Å; D182-N203 PolarHBondContact OD1-ND2 2.91Å; D182-N203 PolarHBondContact OD2-ND2 2.83Å; S201-N203 PolarHBondContact OG-OD1 2.81Å; S201-N203 VanDerWaalsContact OG-OD1 3.11Å; N203-L309 PolarHBondContact N-O 3.36Å; N203-V311 PolarHBondContact O-N 3.37Å
204	P	95.8	Very high	88.1	Confident	7 Å²	7	38.2 Å²	38.2	5%	0.045	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	145.1	179.8	-22.2	34.7	0	0	0	112.3	I34 V159 I162 V202 I207 V289 V311	I34-P204 HydrophobicContact CD1-CG 4.25Å; V159-P204 HydrophobicContact CG1-CG 4.15Å; I162-P204 PolarHBondContact N-O 2.94Å; V202-P204 HydrophobicContact CG2-CG 4.49Å; V202-P204 WeakPolarHBondContact O-CD 3.4Å; P204-I207 HydrophobicContact CB-CD1 4.48Å; P204-I207 HydrophobicContact CB-CG1 3.77Å; P204-V289 HydrophobicContact CB-CG2 3.97Å; P204-V289 HydrophobicContact CG-CG1 3.78Å; P204-V289 HydrophobicContact CG-CG2 4Å; P204-V311 CarbonylContact C-O 3.37Å; P204-V311 WeakPolarHBondContact CA-O 3.42Å
205	G	91.3	Very high	86	Confident	13 Å²	13	34.3 Å²	34.3	13%	0.134	18%	0.178	C	C	.	.			trans	-79.2	-134.6	164.9	0	0	0	0	0	111.5	I207 V311	G205-I207 PolarHBondContact O-N 3.45Å; G205-V311 PolarHBondContact N-O 3.43Å
206	L	86.9	Confident	83.7	Confident	49 Å²	49	31.5 Å²	31.5	26%	0.257	18%	0.179	S	C	.	.	S	Bend	trans	-85.8	104.9	178.6	-67.4	171.6	0	0	0	110.6	A274 I278 L283 G284	L206-A274 HydrophobicContact CD1-CB 3.32Å; L206-I278 HydrophobicContact CB-CD1 4.42Å; L206-I278 HydrophobicContact CD1-CD1 4.22Å; L206-L283 HydrophobicContact CB-CD2 3.79Å; L206-G284 PolarHBondContact O-N 2.63Å
207	I	85.6	Confident	81.3	Confident	6 Å²	6	30 Å²	30	3%	0.031	16%	0.162	C	C	.	.			trans	-115.7	126.2	178.9	-47.8	-61.4	0	0	0	109.7	I34 P204 G205 T209 H212 G284 I286 V289	I34-I207 HydrophobicContact CD1-CB 4.49Å; I34-I207 HydrophobicContact CG1-CG2 4.38Å; P204-I207 HydrophobicContact CB-CD1 4.48Å; P204-I207 HydrophobicContact CB-CG1 3.77Å; G205-I207 PolarHBondContact O-N 3.45Å; I207-T209 HydrophobicContact CB-CG2 4.34Å; I207-T209 HydrophobicContact CG2-CG2 3.92Å; I207-T209 PolarHBondContact O-N 3.22Å; I207-H212 PolarHBondContact O-CE1 2.96Å; I207-G284 VanDerWaalsContact CD1-C 3.48Å; I207-G284 VanDerWaalsContact CD1-CA 3.49Å; I207-I286 HydrophobicContact CG2-CG1 4Å; I207-V289 HydrophobicContact CD1-CG2 3.8Å; I207-V289 HydrophobicContact CG1-CG2 3.85Å
208	P	81.1	Confident	78.5	Confident	47 Å²	47	32.5 Å²	32.5	31%	0.305	18%	0.178	S	C	.	.			trans	-58.3	109.6	171.8	-15.4	24.6	0	0	0	111.3	F267 L283 G284	P208-F267 HydrophobicContact CB-CD1 4.44Å; P208-F267 HydrophobicContact CB-CE1 3.47Å; P208-F267 VanDerWaalsContact CB-CE1 3.47Å; P208-F267 HydrophobicContact CB-CE2 3.86Å; P208-F267 HydrophobicContact CB-CZ 3.14Å; P208-F267 HydrophobicContact CG-CE1 3.49Å; P208-F267 VanDerWaalsContact CG-CE1 3.49Å; P208-F267 HydrophobicContact CG-CE2 4.45Å; P208-F267 HydrophobicContact CG-CZ 3.34Å; P208-L283 HydrophobicContact CG-CD1 4Å; P208-G284 WeakPolarHBondContact CD-O 3.14Å
209	T	81.4	Confident	75.9	Confident	19 Å²	19	35.1 Å²	35.1	12%	0.117	20%	0.198	C	C	.	.			trans	-149.7	166.1	176.5	67.8	0	0	0	0	111.6	I34 I207 I211 H212 I286	I34-T209 HydrophobicContact CD1-CG2 4.26Å; I34-T209 HydrophobicContact CG1-CG2 3.93Å; I207-T209 HydrophobicContact CB-CG2 4.34Å; I207-T209 HydrophobicContact CG2-CG2 3.92Å; I207-T209 PolarHBondContact O-N 3.22Å; T209-I211 PolarHBondContact O-N 3.14Å; T209-I211 VanDerWaalsContact O-N 3.08Å; T209-I211 WeakPolarHBondContact OG1-CG2 3.41Å; T209-I211 PolarHBondContact OG1-N 3.44Å; T209-H212 PolarHBondContact O-N 2.91Å; T209-I286 HydrophobicContact CG2-CD1 4.24Å; T209-I286 HydrophobicContact CG2-CG1 4.06Å
210	Q	78.6	Confident	73.1	Confident	74 Å²	74	36.6 Å²	36.6	35%	0.346	21%	0.205	S	C	.	.	H	α-helix	trans	-60.9	-16.1	177.7	-163.4	59.3	34.8	0	0	113.9	H212 I213 R214	Q210-H212 VanDerWaalsContact C-N 3.32Å; Q210-H212 PolarHBondContact O-N 2.98Å; Q210-I213 VanDerWaalsContact NE2-CG2 3.31Å; Q210-I213 PolarHBondContact O-N 3.34Å; Q210-R214 HydrophobicContact CG-CG 4.04Å; Q210-R214 WeakPolarHBondContact O-CB 3.44Å; Q210-R214 WeakPolarHBondContact O-CG 3.36Å; Q210-R214 PolarHBondContact O-N 3.14Å
211	I	75.3	Confident	70.1	Confident	43 Å²	43	38.8 Å²	38.8	22%	0.221	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-40.4	-179.9	-158.5	167.6	0	0	0	111.7	L113 T209 T215	L113-I211 HydrophobicContact CB-CD1 4.08Å; L113-I211 HydrophobicContact CB-CG1 3.9Å; T209-I211 PolarHBondContact O-N 3.14Å; T209-I211 VanDerWaalsContact O-N 3.08Å; T209-I211 WeakPolarHBondContact OG1-CG2 3.41Å; T209-I211 PolarHBondContact OG1-N 3.44Å; I211-T215 PolarHBondContact O-N 2.89Å; I211-T215 PolarHBondContact O-OG1 3.49Å
212	H	65.2	Low	67.4	Low	42 Å²	42	42.5 Å²	42.5	19%	0.194	24%	0.243	C	C	.	.	H	α-helix	trans	-73.5	-33.9	178.8	-56	105.7	0	0	0	111.8	I207 T209 Q210 T215	I207-H212 PolarHBondContact O-CE1 2.96Å; T209-H212 PolarHBondContact O-N 2.91Å; Q210-H212 VanDerWaalsContact C-N 3.32Å; Q210-H212 PolarHBondContact O-N 2.98Å; H212-T215 PolarHBondContact O-OG1 3.14Å
213	I	61.4	Low	64.7	Low	69 Å²	69	44.1 Å²	44.1	35%	0.354	25%	0.253	S	S	.	.	H	α-helix	trans	-71.4	-37.5	178.8	-60.7	171.4	0	0	0	110.9	Q210 K263	Q210-I213 VanDerWaalsContact NE2-CG2 3.31Å; Q210-I213 PolarHBondContact O-N 3.34Å; I213-K263 HydrophobicContact CG2-CD 3.95Å
214	R	63.1	Low	61.8	Low	145 Å²	145	50.4 Å²	50.4	55%	0.547	28%	0.282	S	S	.	.	H	α-helix	trans	-70.2	-32.5	-179.1	-79.1	174.3	-177.7	162.2	7.4	113.2	S32 Q210	S32-R214 PolarHBondContact OG-NH2 3.46Å; Q210-R214 HydrophobicContact CG-CG 4.04Å; Q210-R214 WeakPolarHBondContact O-CB 3.44Å; Q210-R214 WeakPolarHBondContact O-CG 3.36Å; Q210-R214 PolarHBondContact O-N 3.14Å
215	T	55.9	Low	59.3	Low	27 Å²	27	57.2 Å²	57.2	17%	0.166	31%	0.313	C	S	.	.	H	α-helix	trans	-82.6	-17.7	-178.1	49.5	0	0	0	0	113.5	L113 P115 I211 H212 D217	L113-T215 HydrophobicContact CB-CG2 3.81Å; L113-T215 HydrophobicContact CD2-CG2 4.36Å; L113-T215 HydrophobicContact CG-CG2 4.18Å; L113-T215 WeakPolarHBondContact O-CG2 3.36Å; P115-T215 WeakPolarHBondContact CG-O 3.39Å; I211-T215 PolarHBondContact O-N 2.89Å; I211-T215 PolarHBondContact O-OG1 3.49Å; H212-T215 PolarHBondContact O-OG1 3.14Å; T215-D217 PolarHBondContact O-N 3.47Å
216	G	48	Very low	56.9	Low	51 Å²	51	58.7 Å²	58.7	53%	0.526	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	29	-171.4	0	0	0	0	0	112	P218	G216-P218 WeakPolarHBondContact O-CD 3.48Å
217	D	47.7	Very low	54.7	Low	5 Å²	5	57 Å²	57	3%	0.027	31%	0.311	C	S	.	.			trans	-60.3	120.5	-166.9	-149.2	-58.8	0	0	0	113.7	L113 R171 T215 T219 M220 A221	L113-D217 WeakPolarHBondContact CD2-OD2 3.39Å; R171-D217 IonicContact CZ-OD1 3.4Å; R171-D217 IonicContact CZ-OD2 3.46Å; R171-D217 IonicContact NH1-OD1 3.55Å; R171-D217 IonicContact NH1-OD2 3.53Å; R171-D217 PolarHBondContact NH1-OD2 2.71Å; R171-D217 IonicContact NH2-OD1 2.68Å; R171-D217 PolarHBondContact NH2-OD1 3.45Å; R171-D217 IonicContact NH2-OD2 2.8Å; R171-D217 PolarHBondContact NH2-OD2 2.96Å; T215-D217 PolarHBondContact O-N 3.47Å; D217-T219 PolarHBondContact O-N 3.46Å; D217-T219 VanDerWaalsContact O-N 3.1Å; D217-T219 PolarHBondContact OD1-N 3.09Å; D217-T219 PolarHBondContact OD1-OG1 3.47Å; D217-T219 VanDerWaalsContact OD1-OG1 3.1Å; D217-M220 PolarHBondContact O-N 3.16Å; D217-A221 PolarHBondContact O-N 3.32Å; D217-A221 VanDerWaalsContact O-N 3.16Å
218	P	40.1	Very low	52.6	Low	55 Å²	55	60.1 Å²	60.1	36%	0.357	33%	0.331	S	S	.	.	H	α-helix	trans	-66.6	-10.8	-178.9	25	-31.9	0	0	0	114.1	G216 M220 A221 N222	G216-P218 WeakPolarHBondContact O-CD 3.48Å; P218-M220 CarbonylContact O-C 3.51Å; P218-M220 PolarHBondContact O-N 3.42Å; P218-A221 PolarHBondContact O-N 2.9Å; P218-A221 VanDerWaalsContact O-N 3.09Å; P218-N222 WeakPolarHBondContact CB-OD1 3.36Å; P218-N222 PolarHBondContact O-N 3.12Å
219	T	44.5	Very low	50.7	Low	86 Å²	86	59.9 Å²	59.9	53%	0.528	34%	0.338	S	S	.	.	H	α-helix	trans	-57.5	-13.7	166.6	55.4	0	0	0	0	112.6	R171 D217	R171-T219 PolarHBondContact NH2-OG1 2.94Å; R171-T219 VanDerWaalsContact NH2-OG1 3.15Å; D217-T219 PolarHBondContact O-N 3.46Å; D217-T219 VanDerWaalsContact O-N 3.1Å; D217-T219 PolarHBondContact OD1-N 3.09Å; D217-T219 PolarHBondContact OD1-OG1 3.47Å; D217-T219 VanDerWaalsContact OD1-OG1 3.1Å
220	M	39.9	Very low	48.7	Very low	30 Å²	30	62 Å²	62	15%	0.148	35%	0.348	C	S	.	.	H	α-helix	trans	-121.1	-22.4	164	-46.2	-163.8	83.6	0	0	112.9	D217 P218 V266 F267 A270	D217-M220 PolarHBondContact O-N 3.16Å; P218-M220 CarbonylContact O-C 3.51Å; P218-M220 PolarHBondContact O-N 3.42Å; M220-V266 HydrophobicContact CB-CG1 3.38Å; M220-V266 VanDerWaalsContact O-CG1 3.32Å; M220-V266 WeakPolarHBondContact O-CG1 3.33Å; M220-F267 HydrophobicContact CE-CD2 3.74Å; M220-F267 HydrophobicContact CE-CE2 3.9Å; M220-F267 HydrophobicContact CE-CG 4.18Å; M220-F267 HydrophobicContact CE-CZ 4.46Å; M220-F267 WeakPolarHBondContact CE-O 3.15Å; M220-F267 HydrophobicContact SD-CD2 3.94Å; M220-F267 HydrophobicContact SD-CE2 4.11Å; M220-A270 HydrophobicContact CB-CB 3.63Å; M220-A270 HydrophobicContact CE-CB 3.09Å; M220-A270 HydrophobicContact CG-CB 3.3Å; M220-A270 HydrophobicContact SD-CB 3.86Å
221	A	36.3	Very low	46.9	Very low	47 Å²	47	62.1 Å²	62.1	39%	0.388	35%	0.348	S	S	.	.	H	α-helix	trans	-93.8	6.5	-171.7	0	0	0	0	0	118.4	D217 P218 V223	D217-A221 PolarHBondContact O-N 3.32Å; D217-A221 VanDerWaalsContact O-N 3.16Å; P218-A221 PolarHBondContact O-N 2.9Å; P218-A221 VanDerWaalsContact O-N 3.09Å; A221-V223 PolarHBondContact O-N 3.33Å
222	N	41.5	Very low	45.3	Very low	77 Å²	77	64.8 Å²	64.8	41%	0.412	37%	0.37	S	S	.	.			trans	-73.4	48.2	168.7	-84.9	24.6	0	0	0	112.9	P218 E224 E225 V226	P218-N222 WeakPolarHBondContact CB-OD1 3.36Å; P218-N222 PolarHBondContact O-N 3.12Å; N222-E224 PolarHBondContact O-N 3.3Å; N222-E225 PolarHBondContact ND2-OE2 3.4Å; N222-E225 PolarHBondContact O-N 2.9Å; N222-V226 WeakPolarHBondContact O-CG2 3.35Å
223	V	40.9	Very low	44.1	Very low	34 Å²	34	69.3 Å²	69.3	21%	0.206	40%	0.395	C	S	.	.	H	α-helix	trans	-58.3	-33.2	-179.5	-174.5	0	0	0	0	110.8	A221 L227 V261 V266	A221-V223 PolarHBondContact O-N 3.33Å; V223-L227 HydrophobicContact CG1-CD1 3.93Å; V223-L227 HydrophobicContact CG1-CG 4.03Å; V223-L227 VanDerWaalsContact O-CB 3.25Å; V223-L227 WeakPolarHBondContact O-CB 3.41Å; V223-L227 VanDerWaalsContact O-CD1 3.32Å; V223-L227 WeakPolarHBondContact O-CD1 3.38Å; V223-L227 WeakPolarHBondContact O-CG 3.25Å; V223-L227 PolarHBondContact O-N 3.13Å; V223-V261 HydrophobicContact CG1-CG2 4.02Å; V223-V266 HydrophobicContact CG2-CG2 3.83Å
224	E	38.1	Very low	43.1	Very low	132 Å²	132	73.9 Å²	73.9	62%	0.617	41%	0.409	S	S	*	.	H	α-helix	trans	-75.2	-30.7	-175.1	-65.7	-171.1	164.5	0	0	115.2	N222	N222-E224 PolarHBondContact O-N 3.3Å
225	E	41.6	Very low	42.1	Very low	150 Å²	150	70.8 Å²	70.8	70%	0.701	40%	0.403	S	S	*	.	H	α-helix	trans	-79.9	-22.2	175.7	-80.9	-179.2	152.7	0	0	112.7	N222	N222-E225 PolarHBondContact ND2-OE2 3.4Å; N222-E225 PolarHBondContact O-N 2.9Å
226	V	41.3	Very low	41.1	Very low	45 Å²	45	77.9 Å²	77.9	27%	0.273	43%	0.431	S	S	.	.	H	α-helix	trans	-111.5	-14.4	-168.4	-161	0	0	0	0	113	N222 P228 G229 L230 Y269	N222-V226 WeakPolarHBondContact O-CG2 3.35Å; V226-P228 VanDerWaalsContact C-N 3.29Å; V226-G229 PolarHBondContact O-N 3.07Å; V226-L230 HydrophobicContact CG1-CD1 4.31Å; V226-L230 PolarHBondContact O-N 2.86Å; V226-Y269 HydrophobicContact CB-CE1 4.37Å; V226-Y269 HydrophobicContact CG1-CE1 3.85Å; V226-Y269 WeakPolarHBondContact CG1-OH 3Å
227	L	41.8	Very low	40.6	Very low	14 Å²	14	80.5 Å²	80.5	7%	0.073	44%	0.439	C	S	.	.	H	α-helix	trans	-44	-43.4	169	-99.1	161.2	0	0	0	113.8	V223 G229 L230 F231 C254 L257	V223-L227 HydrophobicContact CG1-CD1 3.93Å; V223-L227 HydrophobicContact CG1-CG 4.03Å; V223-L227 VanDerWaalsContact O-CB 3.25Å; V223-L227 WeakPolarHBondContact O-CB 3.41Å; V223-L227 VanDerWaalsContact O-CD1 3.32Å; V223-L227 WeakPolarHBondContact O-CD1 3.38Å; V223-L227 WeakPolarHBondContact O-CG 3.25Å; V223-L227 PolarHBondContact O-N 3.13Å; L227-G229 VanDerWaalsContact C-N 3.31Å; L227-G229 PolarHBondContact O-N 3.35Å; L227-L230 PolarHBondContact O-N 3.18Å; L227-F231 HydrophobicContact CD2-CD2 4.49Å; L227-F231 HydrophobicContact CD2-CE2 4.2Å; L227-F231 WeakPolarHBondContact O-CD2 3.44Å; L227-F231 PolarHBondContact O-N 3.35Å; L227-C254 HydrophobicContact CD1-CB 4.03Å; L227-L257 HydrophobicContact CD2-CB 4.49Å; L227-L257 HydrophobicContact CD2-CD1 4.01Å
228	P	41.3	Very low	40	Very low	70 Å²	70	85.1 Å²	85.1	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-62.1	-33	179.4	-18.5	28.3	0	0	0	114.3	V226 F250	V226-P228 VanDerWaalsContact C-N 3.29Å; P228-F250 HydrophobicContact CB-CZ 4.36Å; P228-F250 HydrophobicContact CG-CE1 4.46Å; P228-F250 HydrophobicContact CG-CZ 3.99Å
229	G	39.8	Very low	40	Very low	43 Å²	43	86 Å²	86	44%	0.443	49%	0.486	S	S	.	.	H	α-helix	trans	-81.6	-30.4	179.8	0	0	0	0	0	113.8	V226 L227 F231 S232	V226-G229 PolarHBondContact O-N 3.07Å; L227-G229 VanDerWaalsContact C-N 3.31Å; L227-G229 PolarHBondContact O-N 3.35Å; G229-F231 VanDerWaalsContact C-N 3.34Å; G229-S232 PolarHBondContact O-N 3.06Å; G229-S232 PolarHBondContact O-OG 3.1Å
230	L	41.1	Very low	39.8	Very low	62 Å²	62	84.3 Å²	84.3	33%	0.325	47%	0.472	S	S	.	.	H	α-helix	trans	-70	-29.3	175	-93.7	134.1	0	0	0	113	V226 L227 S232 L233 Y269	V226-L230 HydrophobicContact CG1-CD1 4.31Å; V226-L230 PolarHBondContact O-N 2.86Å; L227-L230 PolarHBondContact O-N 3.18Å; L230-S232 PolarHBondContact O-N 2.7Å; L230-L233 PolarHBondContact O-N 3.27Å; L230-Y269 HydrophobicContact CD1-CD1 4.48Å; L230-Y269 HydrophobicContact CD1-CD2 3.75Å; L230-Y269 HydrophobicContact CD1-CE1 4.33Å; L230-Y269 HydrophobicContact CD1-CE2 3.58Å; L230-Y269 HydrophobicContact CD1-CG 4.21Å; L230-Y269 HydrophobicContact CD2-CD2 3.92Å; L230-Y269 HydrophobicContact CD2-CE2 4.16Å; L230-Y269 HydrophobicContact CG-CD2 4.14Å; L230-Y269 HydrophobicContact CG-CE2 3.91Å
231	F	40.4	Very low	39.6	Very low	78 Å²	78	91.6 Å²	91.6	34%	0.342	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.9	176.6	-103.4	-87.6	0	0	0	113.3	L227 G229 L235 L257	L227-F231 HydrophobicContact CD2-CD2 4.49Å; L227-F231 HydrophobicContact CD2-CE2 4.2Å; L227-F231 WeakPolarHBondContact O-CD2 3.44Å; L227-F231 PolarHBondContact O-N 3.35Å; G229-F231 VanDerWaalsContact C-N 3.34Å; F231-L235 HydrophobicContact CD1-CD1 3.82Å; F231-L235 HydrophobicContact CE1-CD1 4.09Å; F231-L257 HydrophobicContact CE2-CD1 3.82Å; F231-L257 HydrophobicContact CZ-CD1 3.9Å
232	S	41.2	Very low	39.6	Very low	99 Å²	99	98.1 Å²	98.1	69%	0.692	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-13.1	-176	91.4	0	0	0	0	114.9	G229 L230	G229-S232 PolarHBondContact O-N 3.06Å; G229-S232 PolarHBondContact O-OG 3.1Å; L230-S232 PolarHBondContact O-N 2.7Å
233	L	40.3	Very low	39.5	Very low	136 Å²	136	96.2 Å²	96.2	71%	0.712	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	-21.6	-167.5	-92.1	141.9	0	0	0	114.9	L230	L230-L233 PolarHBondContact O-N 3.27Å
234	Y	40.1	Very low	39.6	Very low	166 Å²	166	102.6 Å²	102.6	65%	0.651	54%	0.539	S	S	*	.			trans	-132.3	10	-165.8	-96.9	-88.3	0	0	0	118.1	K236	Y234-K236 VanDerWaalsContact C-N 3.31Å; Y234-K236 PolarHBondContact O-N 3.43Å
235	L	41.7	Very low	40	Very low	79 Å²	79	100.6 Å²	100.6	41%	0.414	54%	0.54	S	S	.	.			trans	-79.8	79.9	171	-65.4	173.1	0	0	0	111.5	F231 I240	F231-L235 HydrophobicContact CD1-CD1 3.82Å; F231-L235 HydrophobicContact CE1-CD1 4.09Å; L235-I240 HydrophobicContact CB-CD1 3.78Å; L235-I240 HydrophobicContact CB-CG1 3.97Å; L235-I240 HydrophobicContact CD1-CD1 4.31Å; L235-I240 HydrophobicContact CD1-CG1 4.05Å; L235-I240 HydrophobicContact CD2-CG1 4.24Å; L235-I240 HydrophobicContact CG-CG1 4.32Å
236	K	34.3	Very low	40.2	Very low	177 Å²	177	96 Å²	96	77%	0.77	52%	0.522	S	S	*	.			trans	-65.5	151.3	151.8	-81.8	-174.5	178.1	179.7	0	109.3	Y234 A238	Y234-K236 VanDerWaalsContact C-N 3.31Å; Y234-K236 PolarHBondContact O-N 3.43Å; K236-A238 VanDerWaalsContact C-N 3.26Å; K236-A238 PolarHBondContact O-N 3.22Å
237	P	38.1	Very low	41	Very low	106 Å²	106	104.4 Å²	104.4	69%	0.688	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-4.2	-150.8	-21.5	33.1	0	0	0	118.2
238	A	36.2	Very low	41.7	Very low	101 Å²	101	106.7 Å²	106.7	84%	0.835	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-21.5	-166.4	0	0	0	0	0	115.1	K236	K236-A238 VanDerWaalsContact C-N 3.26Å; K236-A238 PolarHBondContact O-N 3.22Å
239	S	40.2	Very low	42.2	Very low	75 Å²	75	106.2 Å²	106.2	52%	0.524	57%	0.566	S	S	.	*	S	Bend	trans	-103.4	-6.8	179.3	51.6	0	0	0	0	114.2	F241	S239-F241 VanDerWaalsContact C-N 3.32Å; S239-F241 PolarHBondContact O-N 2.84Å
240	I	39.9	Very low	42.6	Very low	49 Å²	49	109.9 Å²	109.9	25%	0.251	57%	0.569	S	S	.	*	H	α-helix	trans	-69.9	-27.5	176.8	-70	176.5	0	0	0	112	L235 Y242 C243 Q244	L235-I240 HydrophobicContact CB-CD1 3.78Å; L235-I240 HydrophobicContact CB-CG1 3.97Å; L235-I240 HydrophobicContact CD1-CD1 4.31Å; L235-I240 HydrophobicContact CD1-CG1 4.05Å; L235-I240 HydrophobicContact CD2-CG1 4.24Å; L235-I240 HydrophobicContact CG-CG1 4.32Å; I240-Y242 PolarHBondContact O-N 3.1Å; I240-Y242 VanDerWaalsContact O-N 3.16Å; I240-C243 PolarHBondContact O-N 2.79Å; I240-Q244 HydrophobicContact CG2-CG 3.91Å; I240-Q244 PolarHBondContact O-N 2.9Å
241	F	35.1	Very low	42.9	Very low	184 Å²	184	115.4 Å²	115.4	81%	0.807	59%	0.591	S	S	*	*	H	α-helix	trans	-63.5	-22.9	-177.2	-105.7	-87	0	0	0	114.2	S239	S239-F241 VanDerWaalsContact C-N 3.32Å; S239-F241 PolarHBondContact O-N 2.84Å
242	Y	37.5	Very low	43.4	Very low	184 Å²	184	116.1 Å²	116.1	72%	0.722	60%	0.595	S	S	*	*	H	α-helix	trans	-90.8	-21.3	178.7	-157.4	-97.7	0	0	0	113.5	I240	I240-Y242 PolarHBondContact O-N 3.1Å; I240-Y242 VanDerWaalsContact O-N 3.16Å
243	C	39.7	Very low	43.7	Very low	37 Å²	37	114.2 Å²	114.2	25%	0.25	57%	0.574	C	S	.	*	H	α-helix	trans	-96.6	-16	-173.6	-170.6	0	0	0	0	114	I240	I240-C243 PolarHBondContact O-N 2.79Å
244	Q	42.1	Very low	44	Very low	167 Å²	167	108.2 Å²	108.2	78%	0.78	54%	0.544	S	S	*	.	S	Bend	trans	-85.5	-11.7	177.6	-72.4	-173.5	-23.4	0	0	113.8	I240	I240-Q244 HydrophobicContact CG2-CG 3.91Å; I240-Q244 PolarHBondContact O-N 2.9Å
245	S	46.5	Very low	44.3	Very low	90 Å²	90	107.8 Å²	107.8	63%	0.629	55%	0.545	S	S	*	.	S	Bend	trans	-97.9	-1	-175.7	62.9	0	0	0	0	115.3
246	T	46.4	Very low	44.5	Very low	54 Å²	54	106.8 Å²	106.8	33%	0.331	54%	0.542	S	S	.	.			trans	-121	127.5	-173.8	57.1	0	0	0	0	112.3	L248	T246-L248 PolarHBondContact O-N 3.14Å
247	K	58.4	Low	45	Very low	222 Å²	222	101.5 Å²	101.5	97%	0.965	52%	0.522	S	S	*	.			trans	-69	32.4	173.8	-68.8	-177	176.5	178.9	0	113.1
248	L	55.4	Low	45.4	Very low	62 Å²	62	98.7 Å²	98.7	33%	0.325	51%	0.505	S	S	.	.			trans	-80.3	134.9	-178.4	-67.1	172	0	0	0	110.2	T246 Q252 K253 V256	T246-L248 PolarHBondContact O-N 3.14Å; L248-Q252 HydrophobicContact CB-CB 3.92Å; L248-Q252 HydrophobicContact CD2-CB 3.95Å; L248-Q252 HydrophobicContact CD2-CG 4.42Å; L248-Q252 HydrophobicContact CG-CB 4.4Å; L248-K253 HydrophobicContact CB-CG 3.93Å; L248-K253 VanDerWaalsContact O-CE 3.29Å; L248-K253 WeakPolarHBondContact O-CE 3.29Å; L248-V256 HydrophobicContact CD1-CG2 4.38Å
249	S	52.3	Low	45.9	Very low	60 Å²	60	98 Å²	98	42%	0.42	49%	0.494	S	S	.	.			trans	-59.8	157.5	169.1	64.1	0	0	0	0	111.1	K251 Q252 K253	S249-K251 PolarHBondContact O-N 3.47Å; S249-Q252 WeakPolarHBondContact O-CA 3.45Å; S249-Q252 WeakPolarHBondContact O-CB 3.27Å; S249-Q252 PolarHBondContact O-N 2.98Å; S249-Q252 VanDerWaalsContact OG-CD 3.31Å; S249-Q252 VanDerWaalsContact OG-CG 3.32Å; S249-Q252 WeakPolarHBondContact OG-CG 3.39Å; S249-Q252 PolarHBondContact OG-N 3.18Å; S249-Q252 PolarHBondContact OG-OE1 2.81Å; S249-K253 PolarHBondContact O-N 2.95Å
250	F	47.6	Very low	46.1	Very low	120 Å²	120	100.9 Å²	100.9	53%	0.526	50%	0.499	S	S	.	.	H	α-helix	trans	-50.8	-41.9	177.2	-177.3	-101.1	0	0	0	112.5	P228 Q252 K253 C254	P228-F250 HydrophobicContact CB-CZ 4.36Å; P228-F250 HydrophobicContact CG-CE1 4.46Å; P228-F250 HydrophobicContact CG-CZ 3.99Å; F250-Q252 VanDerWaalsContact C-N 3.35Å; F250-Q252 PolarHBondContact O-N 3.06Å; F250-K253 PolarHBondContact O-N 3.36Å; F250-C254 PolarHBondContact O-N 3.16Å; F250-C254 PolarHBondContact O-SG 3.38Å
251	K	47.8	Very low	46.5	Very low	177 Å²	177	100.5 Å²	100.5	77%	0.77	50%	0.499	S	S	*	.	H	α-helix	trans	-64.6	-36.5	177.7	-154.9	172.8	-173.5	176.8	0	112.6	S249 K255	S249-K251 PolarHBondContact O-N 3.47Å; K251-K255 PolarHBondContact O-N 2.63Å; K251-K255 VanDerWaalsContact O-N 3.16Å
252	Q	51	Low	47.1	Very low	94 Å²	94	96.6 Å²	96.6	44%	0.439	49%	0.487	S	S	.	.	H	α-helix	trans	-72.9	-37.5	175.3	-73.3	164.8	-46	0	0	112.1	L248 S249 F250 K255 V256	L248-Q252 HydrophobicContact CB-CB 3.92Å; L248-Q252 HydrophobicContact CD2-CB 3.95Å; L248-Q252 HydrophobicContact CD2-CG 4.42Å; L248-Q252 HydrophobicContact CG-CB 4.4Å; S249-Q252 WeakPolarHBondContact O-CA 3.45Å; S249-Q252 WeakPolarHBondContact O-CB 3.27Å; S249-Q252 PolarHBondContact O-N 2.98Å; S249-Q252 VanDerWaalsContact OG-CD 3.31Å; S249-Q252 VanDerWaalsContact OG-CG 3.32Å; S249-Q252 WeakPolarHBondContact OG-CG 3.39Å; S249-Q252 PolarHBondContact OG-N 3.18Å; S249-Q252 PolarHBondContact OG-OE1 2.81Å; F250-Q252 VanDerWaalsContact C-N 3.35Å; F250-Q252 PolarHBondContact O-N 3.06Å; Q252-K255 PolarHBondContact O-N 3.45Å; Q252-V256 WeakPolarHBondContact O-CG2 3.41Å; Q252-V256 PolarHBondContact O-N 3.36Å
253	K	47.4	Very low	47.6	Very low	58 Å²	58	94.8 Å²	94.8	25%	0.252	48%	0.482	S	S	.	.	H	α-helix	trans	-62.5	-43	173.6	-69	178.4	175.3	-176.5	0	111.5	L248 S249 F250 K255 V256 L257	L248-K253 HydrophobicContact CB-CG 3.93Å; L248-K253 VanDerWaalsContact O-CE 3.29Å; L248-K253 WeakPolarHBondContact O-CE 3.29Å; S249-K253 PolarHBondContact O-N 2.95Å; F250-K253 PolarHBondContact O-N 3.36Å; K253-K255 VanDerWaalsContact C-N 3.31Å; K253-K255 PolarHBondContact O-N 3.36Å; K253-V256 PolarHBondContact O-N 3.17Å; K253-L257 WeakPolarHBondContact O-CB 3.25Å; K253-L257 WeakPolarHBondContact O-CG 3.4Å; K253-L257 PolarHBondContact O-N 3.06Å
254	C	45.4	Very low	47.8	Very low	11 Å²	11	95.3 Å²	95.3	7%	0.074	49%	0.489	C	S	.	.	H	α-helix	trans	-61.3	-38.9	174.6	-65.3	0	0	0	0	112	L227 F250 L257 S258	L227-C254 HydrophobicContact CD1-CB 4.03Å; F250-C254 PolarHBondContact O-N 3.16Å; F250-C254 PolarHBondContact O-SG 3.38Å; C254-L257 PolarHBondContact O-N 3.35Å; C254-S258 WeakPolarHBondContact O-CB 3.45Å; C254-S258 PolarHBondContact O-N 3.26Å; C254-S258 PolarHBondContact O-OG 3.38Å
255	K	47.6	Very low	48	Very low	156 Å²	156	94.4 Å²	94.4	68%	0.678	48%	0.48	S	S	*	.	H	α-helix	trans	-69.2	-36.4	178.3	-159.7	175.6	-174.1	-179.8	0	113.6	K251 Q252 K253 S258 S259	K251-K255 PolarHBondContact O-N 2.63Å; K251-K255 VanDerWaalsContact O-N 3.16Å; Q252-K255 PolarHBondContact O-N 3.45Å; K253-K255 VanDerWaalsContact C-N 3.31Å; K253-K255 PolarHBondContact O-N 3.36Å; K255-S258 WeakPolarHBondContact CA-OG 3.46Å; K255-S258 PolarHBondContact O-OG 2.85Å; K255-S258 VanDerWaalsContact O-OG 3.1Å; K255-S259 PolarHBondContact O-N 2.94Å
256	V	45.6	Very low	48.1	Very low	58 Å²	58	91.7 Å²	91.7	35%	0.352	46%	0.459	S	S	.	.	H	α-helix	trans	-72.3	-39.1	173.5	174.2	0	0	0	0	110.5	L248 Q252 K253 S259 H260	L248-V256 HydrophobicContact CD1-CG2 4.38Å; Q252-V256 WeakPolarHBondContact O-CG2 3.41Å; Q252-V256 PolarHBondContact O-N 3.36Å; K253-V256 PolarHBondContact O-N 3.17Å; V256-S259 PolarHBondContact O-N 3.26Å; V256-S259 PolarHBondContact O-OG 3.27Å; V256-H260 PolarHBondContact O-N 2.89Å; V256-H260 PolarHBondContact O-ND1 3.36Å
257	L	44.8	Very low	48.3	Very low	67 Å²	67	91.5 Å²	91.5	35%	0.351	45%	0.454	S	S	.	.	H	α-helix	trans	-66.2	-44.9	174.8	-76	164.3	0	0	0	110.8	L227 F231 K253 C254 S259 H260 V261	L227-L257 HydrophobicContact CD2-CB 4.49Å; L227-L257 HydrophobicContact CD2-CD1 4.01Å; F231-L257 HydrophobicContact CE2-CD1 3.82Å; F231-L257 HydrophobicContact CZ-CD1 3.9Å; K253-L257 WeakPolarHBondContact O-CB 3.25Å; K253-L257 WeakPolarHBondContact O-CG 3.4Å; K253-L257 PolarHBondContact O-N 3.06Å; C254-L257 PolarHBondContact O-N 3.35Å; L257-S259 PolarHBondContact O-N 3.15Å; L257-H260 CarbonylContact O-C 3.57Å; L257-H260 WeakPolarHBondContact O-CA 3.49Å; L257-H260 PolarHBondContact O-N 3.07Å; L257-V261 WeakPolarHBondContact O-CG2 3.36Å; L257-V261 PolarHBondContact O-N 3.1Å
258	S	46.6	Very low	47.9	Very low	46 Å²	46	86.8 Å²	86.8	32%	0.322	44%	0.435	S	S	.	.	H	α-helix	trans	-62.5	-28.4	178.1	67.3	0	0	0	0	113.5	C254 K255 H260	C254-S258 WeakPolarHBondContact O-CB 3.45Å; C254-S258 PolarHBondContact O-N 3.26Å; C254-S258 PolarHBondContact O-OG 3.38Å; K255-S258 WeakPolarHBondContact CA-OG 3.46Å; K255-S258 PolarHBondContact O-OG 2.85Å; K255-S258 VanDerWaalsContact O-OG 3.1Å; S258-H260 VanDerWaalsContact C-N 3.33Å
259	S	46.5	Very low	47.7	Very low	87 Å²	87	86.5 Å²	86.5	61%	0.608	43%	0.43	S	S	*	.	H	α-helix	trans	-77.8	-16.4	171.9	73.9	0	0	0	0	113.9	K255 V256 L257	K255-S259 PolarHBondContact O-N 2.94Å; V256-S259 PolarHBondContact O-N 3.26Å; V256-S259 PolarHBondContact O-OG 3.27Å; L257-S259 PolarHBondContact O-N 3.15Å
260	H	45.3	Very low	47.8	Very low	135 Å²	135	84.2 Å²	84.2	63%	0.625	42%	0.415	S	S	*	.	H	α-helix	trans	-112.8	-4.5	180	-68.1	84.1	0	0	0	113.8	V256 L257 S258 N262	V256-H260 PolarHBondContact O-N 2.89Å; V256-H260 PolarHBondContact O-ND1 3.36Å; L257-H260 CarbonylContact O-C 3.57Å; L257-H260 WeakPolarHBondContact O-CA 3.49Å; L257-H260 PolarHBondContact O-N 3.07Å; S258-H260 VanDerWaalsContact C-N 3.33Å; H260-N262 VanDerWaalsContact C-N 3.26Å; H260-N262 PolarHBondContact O-N 2.69Å
261	V	47.5	Very low	48.3	Very low	42 Å²	42	79.2 Å²	79.2	26%	0.255	40%	0.396	S	S	.	.			trans	-68.4	92.6	172.9	-177.3	0	0	0	0	106.8	V223 L257 K263 V266	V223-V261 HydrophobicContact CG1-CG2 4.02Å; L257-V261 WeakPolarHBondContact O-CG2 3.36Å; L257-V261 PolarHBondContact O-N 3.1Å; V261-K263 PolarHBondContact O-N 3.41Å; V261-V266 HydrophobicContact CG1-CG2 3.85Å
262	N	48	Very low	48.6	Very low	102 Å²	102	76.3 Å²	76.3	55%	0.545	38%	0.384	S	S	.	.			trans	-51.1	138.2	170.6	-171.9	-16	0	0	0	108.1	H260 A264 Y265	H260-N262 VanDerWaalsContact C-N 3.26Å; H260-N262 PolarHBondContact O-N 2.69Å; N262-A264 HydrophobicContact CB-CB 4.45Å; N262-A264 PolarHBondContact O-N 3.5Å; N262-A264 PolarHBondContact OD1-N 3.08Å; N262-Y265 HydrophobicContact CB-CD2 3.87Å; N262-Y265 HydrophobicContact CB-CE2 4.29Å; N262-Y265 PolarHBondContact O-N 2.94Å
263	K	48.4	Very low	49.1	Very low	145 Å²	145	76.3 Å²	76.3	63%	0.63	39%	0.385	S	S	*	.	H	α-helix	trans	-48	-26.4	176	-74	173.4	173.4	177.3	0	112.5	I213 V261 F267	I213-K263 HydrophobicContact CG2-CD 3.95Å; V261-K263 PolarHBondContact O-N 3.41Å; K263-F267 PolarHBondContact O-N 3.41Å
264	A	43.2	Very low	49.9	Very low	48 Å²	48	74.4 Å²	74.4	40%	0.397	38%	0.38	S	S	.	.	H	α-helix	trans	-56.9	-45.2	170.8	0	0	0	0	0	114.1	N262 V266 F267 E268	N262-A264 HydrophobicContact CB-CB 4.45Å; N262-A264 PolarHBondContact O-N 3.5Å; N262-A264 PolarHBondContact OD1-N 3.08Å; A264-V266 PolarHBondContact O-N 2.93Å; A264-F267 WeakPolarHBondContact O-CB 3.33Å; A264-F267 PolarHBondContact O-N 3.26Å; A264-F267 VanDerWaalsContact O-N 3.17Å; A264-E268 PolarHBondContact O-N 2.8Å
265	Y	45.9	Very low	50.9	Low	148 Å²	148	75.2 Å²	75.2	58%	0.58	39%	0.385	S	S	*	.	H	α-helix	trans	-68.1	-36.1	-178.1	-76.9	-75.9	0	0	0	113	N262 F267 E268 Y269	N262-Y265 HydrophobicContact CB-CD2 3.87Å; N262-Y265 HydrophobicContact CB-CE2 4.29Å; N262-Y265 PolarHBondContact O-N 2.94Å; Y265-F267 PolarHBondContact O-N 2.83Å; Y265-E268 PolarHBondContact O-N 3.21Å; Y265-Y269 WeakPolarHBondContact O-CB 3.07Å; Y265-Y269 PolarHBondContact O-N 3.36Å
266	V	49.6	Very low	51.8	Low	33 Å²	33	72.5 Å²	72.5	20%	0.2	38%	0.383	C	S	.	.	H	α-helix	trans	-59.4	-41.3	173.2	165.2	0	0	0	0	110.4	M220 V223 V261 A264 A270	M220-V266 HydrophobicContact CB-CG1 3.38Å; M220-V266 VanDerWaalsContact O-CG1 3.32Å; M220-V266 WeakPolarHBondContact O-CG1 3.33Å; V223-V266 HydrophobicContact CG2-CG2 3.83Å; V261-V266 HydrophobicContact CG1-CG2 3.85Å; A264-V266 PolarHBondContact O-N 2.93Å; V266-A270 PolarHBondContact O-N 3.29Å; V266-A270 VanDerWaalsContact O-N 3.17Å
267	F	50.1	Low	53.3	Low	50 Å²	50	77.5 Å²	77.5	22%	0.219	40%	0.4	C	S	.	.	H	α-helix	trans	-68.9	-48.2	179	-163.9	-91	0	0	0	112	P208 M220 K263 A264 Y265 Y269 A271 L283	P208-F267 HydrophobicContact CB-CD1 4.44Å; P208-F267 HydrophobicContact CB-CE1 3.47Å; P208-F267 VanDerWaalsContact CB-CE1 3.47Å; P208-F267 HydrophobicContact CB-CE2 3.86Å; P208-F267 HydrophobicContact CB-CZ 3.14Å; P208-F267 HydrophobicContact CG-CE1 3.49Å; P208-F267 VanDerWaalsContact CG-CE1 3.49Å; P208-F267 HydrophobicContact CG-CE2 4.45Å; P208-F267 HydrophobicContact CG-CZ 3.34Å; M220-F267 HydrophobicContact CE-CD2 3.74Å; M220-F267 HydrophobicContact CE-CE2 3.9Å; M220-F267 HydrophobicContact CE-CG 4.18Å; M220-F267 HydrophobicContact CE-CZ 4.46Å; M220-F267 WeakPolarHBondContact CE-O 3.15Å; M220-F267 HydrophobicContact SD-CD2 3.94Å; M220-F267 HydrophobicContact SD-CE2 4.11Å; K263-F267 PolarHBondContact O-N 3.41Å; A264-F267 WeakPolarHBondContact O-CB 3.33Å; A264-F267 PolarHBondContact O-N 3.26Å; A264-F267 VanDerWaalsContact O-N 3.17Å; Y265-F267 PolarHBondContact O-N 2.83Å; F267-Y269 VanDerWaalsContact C-N 3.27Å; F267-Y269 PolarHBondContact O-N 3.29Å; F267-A271 HydrophobicContact CE1-CB 4.44Å; F267-A271 WeakPolarHBondContact O-CB 3.46Å; F267-A271 PolarHBondContact O-N 2.84Å; F267-L283 HydrophobicContact CE1-CD1 3.49Å; F267-L283 VanDerWaalsContact CE1-CD1 3.49Å; F267-L283 HydrophobicContact CZ-CD1 3.54Å
268	E	50.5	Low	55.2	Low	123 Å²	123	74.5 Å²	74.5	58%	0.575	38%	0.384	S	S	*	.	H	α-helix	trans	-57.7	-39.5	176.7	-73.8	179	-179.9	0	0	112.3	A264 Y265 A271 F272	A264-E268 PolarHBondContact O-N 2.8Å; Y265-E268 PolarHBondContact O-N 3.21Å; E268-A271 WeakPolarHBondContact O-CB 3.41Å; E268-F272 VanDerWaalsContact O-CB 3.32Å; E268-F272 WeakPolarHBondContact O-CB 3.41Å; E268-F272 PolarHBondContact O-N 3.2Å
269	Y	50	Low	57.3	Low	56 Å²	56	76.1 Å²	76.1	22%	0.22	39%	0.393	C	S	.	.	H	α-helix	trans	-71.9	-48	-178.5	-177.9	-108.4	0	0	0	113.1	V226 L230 Y265 F267 A271 F272 M273	V226-Y269 HydrophobicContact CB-CE1 4.37Å; V226-Y269 HydrophobicContact CG1-CE1 3.85Å; V226-Y269 WeakPolarHBondContact CG1-OH 3Å; L230-Y269 HydrophobicContact CD1-CD1 4.48Å; L230-Y269 HydrophobicContact CD1-CD2 3.75Å; L230-Y269 HydrophobicContact CD1-CE1 4.33Å; L230-Y269 HydrophobicContact CD1-CE2 3.58Å; L230-Y269 HydrophobicContact CD1-CG 4.21Å; L230-Y269 HydrophobicContact CD2-CD2 3.92Å; L230-Y269 HydrophobicContact CD2-CE2 4.16Å; L230-Y269 HydrophobicContact CG-CD2 4.14Å; L230-Y269 HydrophobicContact CG-CE2 3.91Å; Y265-Y269 WeakPolarHBondContact O-CB 3.07Å; Y265-Y269 PolarHBondContact O-N 3.36Å; F267-Y269 VanDerWaalsContact C-N 3.27Å; F267-Y269 PolarHBondContact O-N 3.29Å; Y269-A271 VanDerWaalsContact C-N 3.28Å; Y269-A271 PolarHBondContact O-N 3Å; Y269-F272 HydrophobicContact CD2-CD1 4.49Å; Y269-F272 HydrophobicContact CE2-CD1 4.31Å; Y269-F272 CarbonylContact O-C 3.59Å; Y269-F272 WeakPolarHBondContact O-CA 3.28Å; Y269-F272 VanDerWaalsContact O-CB 3.3Å; Y269-F272 WeakPolarHBondContact O-CB 3.28Å; Y269-F272 PolarHBondContact O-N 3.18Å; Y269-F272 VanDerWaalsContact O-N 3.07Å; Y269-M273 HydrophobicContact CD1-CG 4.13Å; Y269-M273 HydrophobicContact CD2-CG 4.44Å; Y269-M273 HydrophobicContact CE1-CG 3.55Å; Y269-M273 HydrophobicContact CE1-SD 4.35Å; Y269-M273 HydrophobicContact CE2-CG 3.89Å; Y269-M273 HydrophobicContact CE2-SD 4.09Å; Y269-M273 WeakPolarHBondContact O-CG 3.2Å; Y269-M273 PolarHBondContact O-N 2.94Å; Y269-M273 WeakPolarHBondContact OH-CG 2.85Å; Y269-M273 PolarHBondContact OH-SD 3.18Å
270	A	55.3	Low	59.5	Low	12 Å²	12	74.3 Å²	74.3	10%	0.099	38%	0.384	C	S	.	.	H	α-helix	trans	-75.9	-20.8	177.4	0	0	0	0	0	112.6	M220 V266 A274	M220-A270 HydrophobicContact CB-CB 3.63Å; M220-A270 HydrophobicContact CE-CB 3.09Å; M220-A270 HydrophobicContact CG-CB 3.3Å; M220-A270 HydrophobicContact SD-CB 3.86Å; V266-A270 PolarHBondContact O-N 3.29Å; V266-A270 VanDerWaalsContact O-N 3.17Å; A270-A274 WeakPolarHBondContact O-CB 3.41Å; A270-A274 PolarHBondContact O-N 3.38Å
271	A	57.5	Low	61.5	Low	15 Å²	15	72.5 Å²	72.5	12%	0.124	38%	0.382	C	S	.	.	H	α-helix	trans	-58.2	-52.1	159.6	0	0	0	0	0	110.1	F267 E268 Y269 M273 A274 T275 L283	F267-A271 HydrophobicContact CE1-CB 4.44Å; F267-A271 WeakPolarHBondContact O-CB 3.46Å; F267-A271 PolarHBondContact O-N 2.84Å; E268-A271 WeakPolarHBondContact O-CB 3.41Å; Y269-A271 VanDerWaalsContact C-N 3.28Å; Y269-A271 PolarHBondContact O-N 3Å; A271-M273 VanDerWaalsContact C-N 3.33Å; A271-M273 PolarHBondContact O-N 3.36Å; A271-A274 PolarHBondContact O-N 3.43Å; A271-T275 WeakPolarHBondContact O-CB 2.94Å; A271-T275 PolarHBondContact O-N 3.21Å; A271-T275 PolarHBondContact O-OG1 2.58Å; A271-L283 HydrophobicContact CB-CD1 3.42Å; A271-L283 VanDerWaalsContact CB-CD1 3.42Å; A271-L283 HydrophobicContact CB-CD2 4.47Å; A271-L283 HydrophobicContact CB-CG 4Å
272	F	53.7	Low	63.2	Low	117 Å²	117	76 Å²	76	51%	0.513	39%	0.391	S	S	.	.	H	α-helix	trans	-58.5	-39.8	177.5	176.6	-94.1	0	0	0	113	E268 Y269 P276	E268-F272 VanDerWaalsContact O-CB 3.32Å; E268-F272 WeakPolarHBondContact O-CB 3.41Å; E268-F272 PolarHBondContact O-N 3.2Å; Y269-F272 HydrophobicContact CD2-CD1 4.49Å; Y269-F272 HydrophobicContact CE2-CD1 4.31Å; Y269-F272 CarbonylContact O-C 3.59Å; Y269-F272 WeakPolarHBondContact O-CA 3.28Å; Y269-F272 VanDerWaalsContact O-CB 3.3Å; Y269-F272 WeakPolarHBondContact O-CB 3.28Å; Y269-F272 PolarHBondContact O-N 3.18Å; Y269-F272 VanDerWaalsContact O-N 3.07Å; F272-P276 WeakPolarHBondContact O-CD 3.47Å
273	M	62.5	Low	65	Low	94 Å²	94	72.6 Å²	72.6	46%	0.463	37%	0.372	S	S	.	.	H	α-helix	trans	-74.4	-33.5	179.2	-69.9	-61.9	-73.8	0	0	113.6	Y269 A271	Y269-M273 HydrophobicContact CD1-CG 4.13Å; Y269-M273 HydrophobicContact CD2-CG 4.44Å; Y269-M273 HydrophobicContact CE1-CG 3.55Å; Y269-M273 HydrophobicContact CE1-SD 4.35Å; Y269-M273 HydrophobicContact CE2-CG 3.89Å; Y269-M273 HydrophobicContact CE2-SD 4.09Å; Y269-M273 WeakPolarHBondContact O-CG 3.2Å; Y269-M273 PolarHBondContact O-N 2.94Å; Y269-M273 WeakPolarHBondContact OH-CG 2.85Å; Y269-M273 PolarHBondContact OH-SD 3.18Å; A271-M273 VanDerWaalsContact C-N 3.33Å; A271-M273 PolarHBondContact O-N 3.36Å
274	A	64.8	Low	66.8	Low	18 Å²	18	66.4 Å²	66.4	15%	0.149	35%	0.349	C	S	.	.	H	α-helix	trans	-83.8	-32.2	-179.8	0	0	0	0	0	112.7	L206 A270 A271 K277 I278	L206-A274 HydrophobicContact CD1-CB 3.32Å; A270-A274 WeakPolarHBondContact O-CB 3.41Å; A270-A274 PolarHBondContact O-N 3.38Å; A271-A274 PolarHBondContact O-N 3.43Å; A274-K277 WeakPolarHBondContact O-CA 3.33Å; A274-K277 WeakPolarHBondContact O-CB 3.15Å; A274-K277 PolarHBondContact O-N 3.1Å; A274-I278 PolarHBondContact O-N 3.09Å
275	T	66.4	Low	69.1	Low	28 Å²	28	66.7 Å²	66.7	17%	0.172	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-53.7	-44.9	-174.1	-69.5	0	0	0	0	113.4	A271 K277 I278 V281	A271-T275 WeakPolarHBondContact O-CB 2.94Å; A271-T275 PolarHBondContact O-N 3.21Å; A271-T275 PolarHBondContact O-OG1 2.58Å; T275-K277 PolarHBondContact O-N 3.26Å; T275-K277 VanDerWaalsContact O-N 3.14Å; T275-I278 PolarHBondContact O-N 2.92Å; T275-V281 HydrophobicContact CG2-CB 4.41Å; T275-V281 HydrophobicContact CG2-CG1 3.76Å; T275-V281 WeakPolarHBondContact CG2-O 3.3Å
276	P	65.6	Low	71.4	Confident	98 Å²	98	61.4 Å²	61.4	64%	0.636	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-62.8	-19.3	176.2	-24.7	34	0	0	0	114.7	F272	F272-P276 WeakPolarHBondContact O-CD 3.47Å
277	K	78.4	Confident	73.7	Confident	163 Å²	163	65.1 Å²	65.1	71%	0.709	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-89.9	-13.5	177.7	-56.9	-178.5	-178	178.3	0	112.6	A274 T275 L315	A274-K277 WeakPolarHBondContact O-CA 3.33Å; A274-K277 WeakPolarHBondContact O-CB 3.15Å; A274-K277 PolarHBondContact O-N 3.1Å; T275-K277 PolarHBondContact O-N 3.26Å; T275-K277 VanDerWaalsContact O-N 3.14Å; K277-L315 WeakPolarHBondContact O-CD1 3.32Å
278	I	84.2	Confident	76	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.021	35%	0.347	C	S	.	.	S	Bend	trans	-90.6	120.9	176	-57.5	169.6	0	0	0	106.9	L206 A274 T275 A280 V281 R282 L283 G313 L315	L206-I278 HydrophobicContact CB-CD1 4.42Å; L206-I278 HydrophobicContact CD1-CD1 4.22Å; A274-I278 PolarHBondContact O-N 3.09Å; T275-I278 PolarHBondContact O-N 2.92Å; I278-A280 HydrophobicContact CG2-CB 4.23Å; I278-A280 PolarHBondContact O-N 3.15Å; I278-A280 VanDerWaalsContact O-N 3.15Å; I278-V281 WeakPolarHBondContact O-CA 3.37Å; I278-V281 PolarHBondContact O-N 3.16Å; I278-R282 WeakPolarHBondContact CD1-O 3.17Å; I278-L283 HydrophobicContact CD1-CD2 3.89Å; I278-G313 WeakPolarHBondContact CG2-O 3.46Å; I278-L315 HydrophobicContact CG1-CD2 4.42Å
279	P	91	Very high	78.2	Confident	80 Å²	80	60 Å²	60	52%	0.519	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-33.3	179.7	-31.5	38.4	0	0	0	114.9	V281 G313 G314	P279-V281 WeakPolarHBondContact O-CG2 2.98Å; P279-V281 PolarHBondContact O-N 2.99Å; P279-G313 VanDerWaalsContact CD-O 3.31Å; P279-G313 WeakPolarHBondContact CD-O 3.36Å; P279-G314 WeakPolarHBondContact CG-O 3.42Å
280	A	91.1	Very high	80.5	Confident	49 Å²	49	57.4 Å²	57.4	41%	0.405	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-5.7	174.1	0	0	0	0	0	114.5	I278 R282 G313	I278-A280 HydrophobicContact CG2-CB 4.23Å; I278-A280 PolarHBondContact O-N 3.15Å; I278-A280 VanDerWaalsContact O-N 3.15Å; A280-R282 PolarHBondContact O-N 3.17Å; A280-R282 VanDerWaalsContact O-N 3.16Å; A280-G313 WeakPolarHBondContact CB-O 3.38Å; A280-G313 PolarHBondContact N-O 3.16Å
281	V	87.4	Confident	82.6	Confident	97 Å²	97	62 Å²	62	59%	0.588	33%	0.33	S	S	*	.	S	Bend	trans	53.5	36.9	176.8	-154.8	0	0	0	0	113.1	T275 I278 P279	T275-V281 HydrophobicContact CG2-CB 4.41Å; T275-V281 HydrophobicContact CG2-CG1 3.76Å; T275-V281 WeakPolarHBondContact CG2-O 3.3Å; I278-V281 WeakPolarHBondContact O-CA 3.37Å; I278-V281 PolarHBondContact O-N 3.16Å; P279-V281 WeakPolarHBondContact O-CG2 2.98Å; P279-V281 PolarHBondContact O-N 2.99Å
282	R	84.3	Confident	84.5	Confident	117 Å²	117	62.6 Å²	62.6	44%	0.442	33%	0.332	S	S	.	.	S	Bend	trans	-158.4	164.5	168.8	61.9	174.6	-179.5	86.2	-3	111.2	I278 A280 E288	I278-R282 WeakPolarHBondContact CD1-O 3.17Å; A280-R282 PolarHBondContact O-N 3.17Å; A280-R282 VanDerWaalsContact O-N 3.16Å; R282-E288 IonicContact CZ-OE1 2.63Å; R282-E288 VanDerWaalsContact CZ-OE1 3.26Å; R282-E288 IonicContact CZ-OE2 3.52Å; R282-E288 VanDerWaalsContact NH1-CD 3.34Å; R282-E288 IonicContact NH1-OE1 2.69Å; R282-E288 PolarHBondContact NH1-OE1 3.43Å; R282-E288 VanDerWaalsContact NH1-OE1 3.08Å; R282-E288 IonicContact NH1-OE2 3.72Å; R282-E288 PolarHBondContact NH1-OE2 3.42Å; R282-E288 IonicContact NH2-OE1 3.07Å; R282-E288 PolarHBondContact NH2-OE1 2.99Å; R282-E288 IonicContact NH2-OE2 2.79Å
283	L	84.4	Confident	86.7	Confident	29 Å²	29	57 Å²	57	15%	0.152	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-70.8	153	164.1	-59.6	-172	0	0	0	111	L206 P208 F267 A271 I278	L206-L283 HydrophobicContact CB-CD2 3.79Å; P208-L283 HydrophobicContact CG-CD1 4Å; F267-L283 HydrophobicContact CE1-CD1 3.49Å; F267-L283 VanDerWaalsContact CE1-CD1 3.49Å; F267-L283 HydrophobicContact CZ-CD1 3.54Å; A271-L283 HydrophobicContact CB-CD1 3.42Å; A271-L283 VanDerWaalsContact CB-CD1 3.42Å; A271-L283 HydrophobicContact CB-CD2 4.47Å; A271-L283 HydrophobicContact CB-CG 4Å; I278-L283 HydrophobicContact CD1-CD2 3.89Å
284	G	87.4	Confident	88.4	Confident	15 Å²	15	53.6 Å²	53.6	16%	0.155	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-80.3	159.2	168.4	0	0	0	0	0	110.9	L206 I207 P208 E288	L206-G284 PolarHBondContact O-N 2.63Å; I207-G284 VanDerWaalsContact CD1-C 3.48Å; I207-G284 VanDerWaalsContact CD1-CA 3.49Å; P208-G284 WeakPolarHBondContact CD-O 3.14Å; G284-E288 VanDerWaalsContact CA-OE2 3.28Å; G284-E288 WeakPolarHBondContact CA-OE2 3.11Å
285	T	91.1	Very high	90	Very high	54 Å²	54	56.6 Å²	56.6	33%	0.331	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-101.4	164.6	176.9	80.9	0	0	0	0	112.1	E287 E288 V289	T285-E287 VanDerWaalsContact CB-OE2 3.28Å; T285-E287 WeakPolarHBondContact CB-OE2 3.11Å; T285-E287 PolarHBondContact O-N 3.07Å; T285-E287 PolarHBondContact OG1-N 3.47Å; T285-E287 PolarHBondContact OG1-OE2 2.84Å; T285-E287 VanDerWaalsContact OG1-OE2 3.1Å; T285-E288 PolarHBondContact N-OE2 2.82Å; T285-E288 PolarHBondContact O-N 3.33Å; T285-E288 WeakPolarHBondContact OG1-CG 3.47Å; T285-E288 PolarHBondContact OG1-N 2.98Å; T285-E288 VanDerWaalsContact OG1-N 3.15Å; T285-V289 PolarHBondContact O-N 3.17Å
286	I	94.8	Very high	91.6	Very high	37 Å²	37	55.5 Å²	55.5	19%	0.19	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-39.3	173.5	-75.4	169.7	0	0	0	110	G37 I207 T209 V289 A290	G37-I286 VanDerWaalsContact CA-CG2 3.49Å; I207-I286 HydrophobicContact CG2-CG1 4Å; T209-I286 HydrophobicContact CG2-CD1 4.24Å; T209-I286 HydrophobicContact CG2-CG1 4.06Å; I286-V289 PolarHBondContact O-N 2.86Å; I286-A290 WeakPolarHBondContact O-CB 3.33Å; I286-A290 PolarHBondContact O-N 3.42Å
287	E	96.9	Very high	93.1	Very high	111 Å²	111	51.1 Å²	51.1	52%	0.519	27%	0.267	S	S	.	.	H	α-helix	trans	-63.6	-41.9	-179.3	-62.8	67.9	-148.2	0	0	111.2	T285 V289 A290 E291	T285-E287 VanDerWaalsContact CB-OE2 3.28Å; T285-E287 WeakPolarHBondContact CB-OE2 3.11Å; T285-E287 PolarHBondContact O-N 3.07Å; T285-E287 PolarHBondContact OG1-N 3.47Å; T285-E287 PolarHBondContact OG1-OE2 2.84Å; T285-E287 VanDerWaalsContact OG1-OE2 3.1Å; E287-V289 VanDerWaalsContact C-N 3.31Å; E287-V289 PolarHBondContact O-N 2.87Å; E287-A290 PolarHBondContact O-N 3.19Å; E287-A290 VanDerWaalsContact O-N 3.15Å; E287-E291 WeakPolarHBondContact O-CB 3.39Å; E287-E291 WeakPolarHBondContact O-CG 3.49Å; E287-E291 PolarHBondContact O-N 3.39Å
288	E	97.9	Very high	94	Very high	66 Å²	66	44.3 Å²	44.3	31%	0.308	24%	0.239	S	C	.	.	H	α-helix	trans	-62.5	-38.6	177.9	-70.6	176.9	130.1	0	0	112.6	R282 G284 T285 S292	R282-E288 IonicContact CZ-OE1 2.63Å; R282-E288 VanDerWaalsContact CZ-OE1 3.26Å; R282-E288 IonicContact CZ-OE2 3.52Å; R282-E288 VanDerWaalsContact NH1-CD 3.34Å; R282-E288 IonicContact NH1-OE1 2.69Å; R282-E288 PolarHBondContact NH1-OE1 3.43Å; R282-E288 VanDerWaalsContact NH1-OE1 3.08Å; R282-E288 IonicContact NH1-OE2 3.72Å; R282-E288 PolarHBondContact NH1-OE2 3.42Å; R282-E288 IonicContact NH2-OE1 3.07Å; R282-E288 PolarHBondContact NH2-OE1 2.99Å; R282-E288 IonicContact NH2-OE2 2.79Å; G284-E288 VanDerWaalsContact CA-OE2 3.28Å; G284-E288 WeakPolarHBondContact CA-OE2 3.11Å; T285-E288 PolarHBondContact N-OE2 2.82Å; T285-E288 PolarHBondContact O-N 3.33Å; T285-E288 WeakPolarHBondContact OG1-CG 3.47Å; T285-E288 PolarHBondContact OG1-N 2.98Å; T285-E288 VanDerWaalsContact OG1-N 3.15Å; E288-S292 WeakPolarHBondContact O-CB 3.3Å; E288-S292 PolarHBondContact O-N 3.34Å; E288-S292 PolarHBondContact O-OG 3.43Å
289	V	98.1	Very high	94.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-69	-44.5	173.1	-179.1	0	0	0	0	110.5	I34 V202 P204 I207 T285 I286 E287 S292 V293 V311	I34-V289 HydrophobicContact CD1-CG1 4.38Å; I34-V289 HydrophobicContact CG1-CG1 4.34Å; I34-V289 HydrophobicContact CG2-CB 4.44Å; I34-V289 HydrophobicContact CG2-CG1 3.69Å; V202-V289 HydrophobicContact CG2-CG1 4.2Å; P204-V289 HydrophobicContact CB-CG2 3.97Å; P204-V289 HydrophobicContact CG-CG1 3.78Å; P204-V289 HydrophobicContact CG-CG2 4Å; I207-V289 HydrophobicContact CD1-CG2 3.8Å; I207-V289 HydrophobicContact CG1-CG2 3.85Å; T285-V289 PolarHBondContact O-N 3.17Å; I286-V289 PolarHBondContact O-N 2.86Å; E287-V289 VanDerWaalsContact C-N 3.31Å; E287-V289 PolarHBondContact O-N 2.87Å; V289-S292 WeakPolarHBondContact O-CB 3.39Å; V289-S292 PolarHBondContact O-N 2.81Å; V289-V293 WeakPolarHBondContact O-CG2 3.14Å; V289-V293 PolarHBondContact O-N 2.8Å; V289-V311 HydrophobicContact CG2-CG1 4.03Å
290	A	98.5	Very high	94.8	Very high	2 Å²	2	54.9 Å²	54.9	2%	0.017	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-45.2	-178.8	0	0	0	0	0	112.6	G37 I38 A41 I286 E287 S292 V293 L294	G37-A290 WeakPolarHBondContact O-CB 3.46Å; I38-A290 HydrophobicContact CG1-CB 4.13Å; A41-A290 HydrophobicContact CB-CB 3.97Å; I286-A290 WeakPolarHBondContact O-CB 3.33Å; I286-A290 PolarHBondContact O-N 3.42Å; E287-A290 PolarHBondContact O-N 3.19Å; E287-A290 VanDerWaalsContact O-N 3.15Å; A290-S292 VanDerWaalsContact C-N 3.31Å; A290-S292 PolarHBondContact O-N 2.89Å; A290-V293 PolarHBondContact O-N 3.48Å; A290-L294 WeakPolarHBondContact O-CB 3.19Å; A290-L294 PolarHBondContact O-N 2.81Å
291	E	98.4	Very high	95.1	Very high	109 Å²	109	52.6 Å²	52.6	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-64.5	-35.7	176.2	-71.1	-57.3	139	0	0	112	E287 L294 F295	E287-E291 WeakPolarHBondContact O-CB 3.39Å; E287-E291 WeakPolarHBondContact O-CG 3.49Å; E287-E291 PolarHBondContact O-N 3.39Å; E291-L294 PolarHBondContact O-N 2.75Å; E291-F295 WeakPolarHBondContact O-CB 3.44Å; E291-F295 PolarHBondContact O-N 3.32Å
292	S	98.7	Very high	95.6	Very high	26 Å²	26	52 Å²	52	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-40.8	174.3	-60.2	0	0	0	0	112	E288 V289 A290 L296	E288-S292 WeakPolarHBondContact O-CB 3.3Å; E288-S292 PolarHBondContact O-N 3.34Å; E288-S292 PolarHBondContact O-OG 3.43Å; V289-S292 WeakPolarHBondContact O-CB 3.39Å; V289-S292 PolarHBondContact O-N 2.81Å; A290-S292 VanDerWaalsContact C-N 3.31Å; A290-S292 PolarHBondContact O-N 2.89Å; S292-L296 WeakPolarHBondContact O-CG 3.32Å; S292-L296 PolarHBondContact O-N 3.28Å; S292-L296 VanDerWaalsContact O-N 3.13Å
293	V	98.8	Very high	96.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-46.8	174.5	173.4	0	0	0	0	110.6	I38 F42 V107 V157 V159 V202 V289 A290 F295 L296 A297	I38-V293 HydrophobicContact CD1-CB 4.32Å; I38-V293 HydrophobicContact CD1-CG1 4.21Å; I38-V293 HydrophobicContact CD1-CG2 3.88Å; I38-V293 HydrophobicContact CG1-CB 4.24Å; I38-V293 HydrophobicContact CG1-CG1 4.32Å; I38-V293 HydrophobicContact CG1-CG2 4.21Å; I38-V293 HydrophobicContact CG2-CG1 4.01Å; F42-V293 HydrophobicContact CE2-CG1 3.96Å; F42-V293 HydrophobicContact CZ-CG1 4.4Å; V107-V293 HydrophobicContact CG1-CG1 3.95Å; V107-V293 HydrophobicContact CG2-CG1 4.05Å; V157-V293 HydrophobicContact CB-CG1 4.11Å; V157-V293 HydrophobicContact CG1-CB 4.31Å; V157-V293 HydrophobicContact CG1-CG1 3.85Å; V157-V293 HydrophobicContact CG1-CG2 4.16Å; V159-V293 HydrophobicContact CG2-CG2 4.29Å; V202-V293 HydrophobicContact CB-CG2 4.35Å; V202-V293 HydrophobicContact CG1-CG2 3.82Å; V202-V293 HydrophobicContact CG2-CG2 3.57Å; V289-V293 WeakPolarHBondContact O-CG2 3.14Å; V289-V293 PolarHBondContact O-N 2.8Å; A290-V293 PolarHBondContact O-N 3.48Å; V293-F295 VanDerWaalsContact C-N 3.34Å; V293-F295 PolarHBondContact O-N 2.96Å; V293-L296 PolarHBondContact O-N 3.38Å; V293-A297 WeakPolarHBondContact O-CB 3.43Å; V293-A297 PolarHBondContact O-N 3.23Å
294	L	98.5	Very high	96.9	Very high	23 Å²	23	58.3 Å²	58.3	12%	0.12	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-43.1	178.2	179.4	62.2	0	0	0	111.6	A41 F42 A45 Y47 A290 E291 A297 S298	A41-L294 HydrophobicContact CB-CD2 4.33Å; F42-L294 HydrophobicContact CD1-CD1 3.96Å; F42-L294 HydrophobicContact CD2-CD1 4.13Å; F42-L294 HydrophobicContact CE1-CD1 3.92Å; F42-L294 HydrophobicContact CE2-CB 4.22Å; F42-L294 HydrophobicContact CE2-CD1 4.09Å; F42-L294 HydrophobicContact CG-CD1 4.09Å; F42-L294 HydrophobicContact CZ-CD1 4.01Å; A45-L294 HydrophobicContact CB-CD1 3.93Å; A45-L294 HydrophobicContact CB-CD2 3.94Å; Y47-L294 HydrophobicContact CE2-CD1 4.12Å; A290-L294 WeakPolarHBondContact O-CB 3.19Å; A290-L294 PolarHBondContact O-N 2.81Å; E291-L294 PolarHBondContact O-N 2.75Å; L294-A297 PolarHBondContact O-N 3.5Å; L294-S298 WeakPolarHBondContact O-CB 3.44Å; L294-S298 PolarHBondContact O-N 2.93Å
295	F	98.7	Very high	97.4	Very high	81 Å²	81	59.7 Å²	59.7	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-56.7	-53	174.3	166.2	-105.4	0	0	0	111.5	E291 V293 A297 S298 K300 A301 I304	E291-F295 WeakPolarHBondContact O-CB 3.44Å; E291-F295 PolarHBondContact O-N 3.32Å; V293-F295 VanDerWaalsContact C-N 3.34Å; V293-F295 PolarHBondContact O-N 2.96Å; F295-A297 PolarHBondContact O-N 3.41Å; F295-S298 PolarHBondContact O-N 3.1Å; F295-S298 VanDerWaalsContact O-N 3.14Å; F295-S298 PolarHBondContact O-OG 3.04Å; F295-K300 HydrophobicContact CD2-CB 3.86Å; F295-K300 HydrophobicContact CD2-CD 4.43Å; F295-K300 HydrophobicContact CE2-CB 3.73Å; F295-A301 HydrophobicContact CE1-CB 4.33Å; F295-A301 HydrophobicContact CZ-CB 4.27Å; F295-A301 VanDerWaalsContact O-CB 3.3Å; F295-A301 WeakPolarHBondContact O-CB 3.32Å; F295-I304 HydrophobicContact CE1-CD1 3.84Å; F295-I304 HydrophobicContact CZ-CD1 3.71Å
296	L	98.7	Very high	97.8	Very high	4 Å²	4	58 Å²	58	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-28.7	180	-72	176.3	0	0	0	112.9	V157 R198 N200 V202 S292 V293 I304 L309	V157-L296 HydrophobicContact CG1-CB 4.42Å; V157-L296 HydrophobicContact CG1-CD1 4.34Å; V157-L296 HydrophobicContact CG2-CB 4.11Å; R198-L296 VanDerWaalsContact CZ-O 3.31Å; R198-L296 PolarHBondContact NH1-O 3.28Å; R198-L296 PolarHBondContact NH2-O 3.48Å; N200-L296 HydrophobicContact CB-CD1 4Å; N200-L296 HydrophobicContact CB-CD2 4.19Å; N200-L296 HydrophobicContact CB-CG 4.49Å; V202-L296 HydrophobicContact CG1-CD1 3.65Å; S292-L296 WeakPolarHBondContact O-CG 3.32Å; S292-L296 PolarHBondContact O-N 3.28Å; S292-L296 VanDerWaalsContact O-N 3.13Å; V293-L296 PolarHBondContact O-N 3.38Å; L296-I304 HydrophobicContact CD2-CG2 4.04Å; L296-L309 HydrophobicContact CD1-CB 4.2Å; L296-L309 HydrophobicContact CD1-CD2 4.15Å; L296-L309 HydrophobicContact CG-CD2 4.35Å
297	A	98.4	Very high	98	Very high	7 Å²	7	61.4 Å²	61.4	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-78.6	-30.8	175.8	0	0	0	0	0	113.4	F42 V105 C155 V157 R198 V293 L294 F295	F42-A297 HydrophobicContact CE1-CB 3.86Å; F42-A297 HydrophobicContact CZ-CB 3.48Å; F42-A297 VanDerWaalsContact CZ-CB 3.48Å; V105-A297 HydrophobicContact CG1-CB 3.82Å; V105-A297 HydrophobicContact CG2-CB 4.19Å; C155-A297 VanDerWaalsContact SG-CA 3.58Å; C155-A297 PolarHBondContact SG-O 3.04Å; V157-A297 HydrophobicContact CG2-CB 4.13Å; R198-A297 PolarHBondContact NH2-O 3.31Å; R198-A297 VanDerWaalsContact NH2-O 3.1Å; V293-A297 WeakPolarHBondContact O-CB 3.43Å; V293-A297 PolarHBondContact O-N 3.23Å; L294-A297 PolarHBondContact O-N 3.5Å; F295-A297 PolarHBondContact O-N 3.41Å
298	S	97	Very high	98	Very high	19 Å²	19	57.7 Å²	57.7	13%	0.133	29%	0.288	C	S	.	.	S	Bend	trans	-75.9	166.4	-176.5	76.3	0	0	0	0	114.4	R198 L294 F295 K300 A301	R198-S298 PolarHBondContact NH2-O 3.39Å; L294-S298 WeakPolarHBondContact O-CB 3.44Å; L294-S298 PolarHBondContact O-N 2.93Å; F295-S298 PolarHBondContact O-N 3.1Å; F295-S298 VanDerWaalsContact O-N 3.14Å; F295-S298 PolarHBondContact O-OG 3.04Å; S298-K300 PolarHBondContact O-N 3.23Å; S298-K300 VanDerWaalsContact O-N 3.11Å; S298-K300 WeakPolarHBondContact OG-CB 3.34Å; S298-K300 PolarHBondContact OG-N 3.4Å; S298-A301 PolarHBondContact O-N 3.21Å
299	D	95.2	Very high	98	Very high	133 Å²	133	57.6 Å²	57.6	71%	0.711	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-61.3	-16.8	173	-68.8	-19.2	0	0	0	114.1	A301 S302	D299-A301 PolarHBondContact O-N 2.78Å; D299-S302 WeakPolarHBondContact O-CB 3.32Å; D299-S302 PolarHBondContact O-N 3.47Å; D299-S302 PolarHBondContact O-OG 3.25Å
300	K	97.4	Very high	98	Very high	174 Å²	174	59 Å²	59	76%	0.757	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-62.4	-22.5	172.7	-59.3	177.6	178.9	173.1	0	111.9	F295 S298	F295-K300 HydrophobicContact CD2-CB 3.86Å; F295-K300 HydrophobicContact CD2-CD 4.43Å; F295-K300 HydrophobicContact CE2-CB 3.73Å; S298-K300 PolarHBondContact O-N 3.23Å; S298-K300 VanDerWaalsContact O-N 3.11Å; S298-K300 WeakPolarHBondContact OG-CB 3.34Å; S298-K300 PolarHBondContact OG-N 3.4Å
301	A	97.6	Very high	98	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-104.3	22.3	175.7	0	0	0	0	0	112.7	R198 F295 S298 D299 Y303 I304	R198-A301 WeakPolarHBondContact CD-O 2.98Å; R198-A301 PolarHBondContact NH1-O 3.26Å; R198-A301 VanDerWaalsContact NH1-O 3.11Å; F295-A301 HydrophobicContact CE1-CB 4.33Å; F295-A301 HydrophobicContact CZ-CB 4.27Å; F295-A301 VanDerWaalsContact O-CB 3.3Å; F295-A301 WeakPolarHBondContact O-CB 3.32Å; S298-A301 PolarHBondContact O-N 3.21Å; D299-A301 PolarHBondContact O-N 2.78Å; A301-Y303 PolarHBondContact O-N 2.91Å; A301-Y303 VanDerWaalsContact O-N 3.12Å; A301-I304 HydrophobicContact CB-CB 4.1Å; A301-I304 HydrophobicContact CB-CD1 3.99Å; A301-I304 HydrophobicContact CB-CG1 4.29Å; A301-I304 WeakPolarHBondContact O-CB 3.43Å; A301-I304 PolarHBondContact O-N 2.88Å
302	S	97.1	Very high	97.7	Very high	85 Å²	85	55.7 Å²	55.7	59%	0.594	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.7	-176.4	48.6	0	0	0	0	114.6	D299	D299-S302 WeakPolarHBondContact O-CB 3.32Å; D299-S302 PolarHBondContact O-N 3.47Å; D299-S302 PolarHBondContact O-OG 3.25Å
303	Y	97.6	Very high	97.4	Very high	230 Å²	230	56.1 Å²	56.1	90%	0.902	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	20.9	174.1	-156.7	-117.1	0	0	0	113.6	A301	A301-Y303 PolarHBondContact O-N 2.91Å; A301-Y303 VanDerWaalsContact O-N 3.12Å
304	I	98.5	Very high	97.2	Very high	48 Å²	48	56.8 Å²	56.8	25%	0.246	31%	0.306	C	S	.	.			trans	-121	113.1	-178.2	-53.2	-179.4	0	0	0	109.4	R198 N200 F295 L296 A301 Q307	R198-I304 PolarHBondContact NH1-O 2.75Å; N200-I304 PolarHBondContact ND2-O 3.31Å; F295-I304 HydrophobicContact CE1-CD1 3.84Å; F295-I304 HydrophobicContact CZ-CD1 3.71Å; L296-I304 HydrophobicContact CD2-CG2 4.04Å; A301-I304 HydrophobicContact CB-CB 4.1Å; A301-I304 HydrophobicContact CB-CD1 3.99Å; A301-I304 HydrophobicContact CB-CG1 4.29Å; A301-I304 WeakPolarHBondContact O-CB 3.43Å; A301-I304 PolarHBondContact O-N 2.88Å; I304-Q307 HydrophobicContact CG2-CB 3.94Å; I304-Q307 HydrophobicContact CG2-CG 3.59Å
305	T	98.7	Very high	96.6	Very high	45 Å²	45	56.5 Å²	56.5	28%	0.276	30%	0.304	S	S	.	.			trans	-145	152.7	170.4	-163.7	0	0	0	0	110.1	A193 R198 V199 N200 Q307	A193-T305 HydrophobicContact CB-CG2 4.13Å; R198-T305 WeakPolarHBondContact CA-OG1 3.25Å; V199-T305 PolarHBondContact N-OG1 3.17Å; N200-T305 VanDerWaalsContact OD1-C 3.3Å; N200-T305 WeakPolarHBondContact OD1-CA 3.09Å; T305-Q307 PolarHBondContact O-N 2.93Å; T305-Q307 PolarHBondContact O-NE2 2.89Å
306	G	98.6	Very high	96.1	Very high	17 Å²	17	55 Å²	55	18%	0.175	30%	0.304	C	S	.	.	S	Bend	trans	71.4	9	-178.1	0	0	0	0	0	114.8	V199 N200	V199-G306 WeakPolarHBondContact O-CA 2.97Å; V199-G306 PolarHBondContact O-N 2.97Å; N200-G306 PolarHBondContact OD1-N 3.28Å
307	Q	98.6	Very high	95.4	Very high	110 Å²	110	63.8 Å²	63.8	51%	0.514	35%	0.35	S	S	.	.			trans	-89.3	145.3	-176.1	-59.3	-49.1	-58.2	0	0	112	N200 S201 I304 T305	N200-Q307 WeakPolarHBondContact CA-O 3.38Å; N200-Q307 PolarHBondContact OD1-N 3.45Å; S201-Q307 PolarHBondContact N-O 3.43Å; I304-Q307 HydrophobicContact CG2-CB 3.94Å; I304-Q307 HydrophobicContact CG2-CG 3.59Å; T305-Q307 PolarHBondContact O-N 2.93Å; T305-Q307 PolarHBondContact O-NE2 2.89Å
308	L	98	Very high	95.3	Very high	32 Å²	32	66.6 Å²	66.6	17%	0.168	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	101.6	173	-45	179.4	0	0	0	107.5	R165 D182 T185 K186	R165-L308 VanDerWaalsContact CZ-CB 3.45Å; R165-L308 PolarHBondContact NH1-O 3.44Å; R165-L308 PolarHBondContact NH2-O 3.25Å; D182-L308 HydrophobicContact CB-CD1 3.76Å; D182-L308 HydrophobicContact CB-CD2 4.28Å; T185-L308 HydrophobicContact CG2-CD2 3.87Å; K186-L308 HydrophobicContact CG-CD2 4.48Å
309	L	98	Very high	95.2	Very high	64 Å²	64	69.1 Å²	69.1	34%	0.335	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	115.2	-177.9	-178.6	61.1	0	0	0	111	S201 V202 N203 L296 V311	S201-L309 PolarHBondContact O-N 3.16Å; V202-L309 CarbonylContact C-O 3.59Å; V202-L309 WeakPolarHBondContact CA-O 3.45Å; N203-L309 PolarHBondContact N-O 3.36Å; L296-L309 HydrophobicContact CD1-CB 4.2Å; L296-L309 HydrophobicContact CD1-CD2 4.15Å; L296-L309 HydrophobicContact CG-CD2 4.35Å; L309-V311 HydrophobicContact CG-CG2 4.33Å
310	G	97.4	Very high	95.2	Very high	29 Å²	29	65.6 Å²	65.6	30%	0.299	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.6	172.4	0	0	0	0	0	111.2
311	V	97.4	Very high	95.1	Very high	23 Å²	23	59.2 Å²	59.2	14%	0.139	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	68.9	174.8	-171.4	0	0	0	0	107.9	V202 N203 P204 G205 V289 L309	V202-V311 HydrophobicContact CB-CG2 4.32Å; N203-V311 PolarHBondContact O-N 3.37Å; P204-V311 CarbonylContact C-O 3.37Å; P204-V311 WeakPolarHBondContact CA-O 3.42Å; G205-V311 PolarHBondContact N-O 3.43Å; V289-V311 HydrophobicContact CG2-CG1 4.03Å; L309-V311 HydrophobicContact CG-CG2 4.33Å
312	D	93.6	Very high	94.9	Very high	19 Å²	19	62.9 Å²	62.9	10%	0.102	36%	0.355	C	S	.	.	S	Bend	trans	-139.8	10.4	-158.2	67.2	2.6	0	0	0	115.1	I162 G314 L315 S316	I162-D312 HydrophobicContact CG2-CB 3.43Å; I162-D312 VanDerWaalsContact CG2-CB 3.43Å; I162-D312 WeakPolarHBondContact CG2-OD2 3.36Å; D312-G314 PolarHBondContact O-N 2.94Å; D312-G314 WeakPolarHBondContact OD1-CA 3.35Å; D312-G314 PolarHBondContact OD1-N 3.01Å; D312-L315 HydrophobicContact CB-CB 4.14Å; D312-L315 VanDerWaalsContact O-CB 3.29Å; D312-L315 WeakPolarHBondContact O-CB 3.48Å; D312-L315 PolarHBondContact O-N 3.47Å; D312-L315 PolarHBondContact OD1-N 3.39Å; D312-S316 WeakPolarHBondContact OD2-CB 3.45Å; D312-S316 PolarHBondContact OD2-N 2.94Å; D312-S316 PolarHBondContact OD2-OG 3.38Å
313	G	92.7	Very high	94.8	Very high	35 Å²	35	61.4 Å²	61.4	36%	0.361	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	25.4	-178	0	0	0	0	0	113.7	I278 P279 A280	I278-G313 WeakPolarHBondContact CG2-O 3.46Å; P279-G313 VanDerWaalsContact CD-O 3.31Å; P279-G313 WeakPolarHBondContact CD-O 3.36Å; A280-G313 WeakPolarHBondContact CB-O 3.38Å; A280-G313 PolarHBondContact N-O 3.16Å
314	G	92.7	Very high	94.6	Very high	15 Å²	15	49.4 Å²	49.4	16%	0.155	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	7.3	-179.8	0	0	0	0	0	114.3	P279 D312 S316 L317	P279-G314 WeakPolarHBondContact CG-O 3.42Å; D312-G314 PolarHBondContact O-N 2.94Å; D312-G314 WeakPolarHBondContact OD1-CA 3.35Å; D312-G314 PolarHBondContact OD1-N 3.01Å; G314-S316 PolarHBondContact O-N 2.85Å; G314-S316 VanDerWaalsContact O-N 3.14Å; G314-L317 WeakPolarHBondContact O-CB 3.29Å; G314-L317 PolarHBondContact O-N 3.18Å
315	L	87.8	Confident	94.2	Very high	17 Å²	17	49.5 Å²	49.5	9%	0.089	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.1	-175.7	-171.6	56.2	0	0	0	113.8	I162 R166 K277 I278 D312	I162-L315 HydrophobicContact CD1-CB 4.43Å; I162-L315 HydrophobicContact CD1-CD2 3.33Å; I162-L315 HydrophobicContact CD1-CG 3.86Å; R166-L315 PolarHBondContact NH1-O 2.8Å; K277-L315 WeakPolarHBondContact O-CD1 3.32Å; I278-L315 HydrophobicContact CG1-CD2 4.42Å; D312-L315 HydrophobicContact CB-CB 4.14Å; D312-L315 VanDerWaalsContact O-CB 3.29Å; D312-L315 WeakPolarHBondContact O-CB 3.48Å; D312-L315 PolarHBondContact O-N 3.47Å; D312-L315 PolarHBondContact OD1-N 3.39Å
316	S	87	Confident	93.9	Very high	50 Å²	50	49.8 Å²	49.8	35%	0.35	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.3	173.7	55.6	0	0	0	0	115.2	D312 G314	D312-S316 WeakPolarHBondContact OD2-CB 3.45Å; D312-S316 PolarHBondContact OD2-N 2.94Å; D312-S316 PolarHBondContact OD2-OG 3.38Å; G314-S316 PolarHBondContact O-N 2.85Å; G314-S316 VanDerWaalsContact O-N 3.14Å
317	L	84.8	Confident	93.5	Very high	187 Å²	187	52.8 Å²	52.8	98%	0.979	32%	0.317	S	S	*	.			trans	-74	0	168.2	-57.4	176.5	0	0	0	110.4	G314	G314-L317 WeakPolarHBondContact O-CB 3.29Å; G314-L317 PolarHBondContact O-N 3.18Å

Retrieved 317 of 317 residues in 176.3 ms (Link to these results)

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